| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 64.4 | Low | 239 Ų | 239 | 115.4 Ų | 115.4 | 100% | 1.177 | 59% | 0.591 | S | S | * | * | 0 | 115.6 | 0 | -88.5 | 76.2 | 158.2 | 0 | 0 | 108.4 | |||||
| 2 | G | 44.1 | Very low | 66.9 | Low | 82 Ų | 82 | 105.8 Ų | 105.8 | 85% | 0.845 | 54% | 0.542 | S | S | * | . | trans | -161.1 | 16.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 3 | K | 43.1 | Very low | 69.1 | Low | 194 Ų | 194 | 99.5 Ų | 99.5 | 84% | 0.843 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -120.8 | -0 | -175.9 | -84.4 | -173.8 | 175 | -179.4 | 0 | 114.8 | ||
| 4 | I | 50.2 | Low | 71.1 | Confident | 150 Ų | 150 | 92.4 Ų | 92.4 | 77% | 0.769 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -93.6 | -26.9 | -170.9 | -58.7 | 176.3 | 0 | 0 | 0 | 112.5 | N6 | I4-N6 VanDerWaalsContact C-N 3.26Å; I4-N6 PolarHBondContact O-N 3.23Å |
| 5 | E | 53.2 | Low | 72.6 | Confident | 156 Ų | 156 | 88.7 Ų | 88.7 | 73% | 0.729 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -68.8 | -18 | -176 | -69.3 | -178.4 | 173.3 | 0 | 0 | 114.7 | N7 | E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.46Å |
| 6 | N | 57.7 | Low | 73.9 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -77.9 | -12.5 | -175.7 | -80.1 | -11.3 | 0 | 0 | 0 | 114.6 | I4 S24 | I4-N6 VanDerWaalsContact C-N 3.26Å; I4-N6 PolarHBondContact O-N 3.23Å; N6-S24 WeakPolarHBondContact O-CB 2.78Å; N6-S24 PolarHBondContact O-OG 2.9Å |
| 7 | N | 66.6 | Low | 75.2 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -117 | 16.3 | -175.1 | -77.5 | -3.4 | 0 | 0 | 0 | 114.4 | E5 R9 Y22 | E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.46Å; N7-R9 PolarHBondContact O-N 3.13Å; N7-Y22 WeakPolarHBondContact O-CD1 3.04Å |
| 8 | E | 82.3 | Confident | 76.3 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | trans | -65.8 | 124.5 | 173.9 | -167.1 | -171.6 | 149.8 | 0 | 0 | 110.2 | Y22 R23 | E8-Y22 WeakPolarHBondContact O-CA 3.48Å; E8-R23 HydrophobicContact CB-CG 4.16Å; E8-R23 PolarHBondContact O-N 2.91Å; E8-R23 IonicContact OE1-CZ 3.61Å; E8-R23 IonicContact OE1-NE 3.71Å; E8-R23 PolarHBondContact OE1-NE 3.43Å; E8-R23 IonicContact OE1-NH2 3.81Å; E8-R23 PolarHBondContact OE1-NH2 2.77Å; E8-R23 WeakPolarHBondContact OE2-CD 3.4Å; E8-R23 IonicContact OE2-CZ 3.53Å; E8-R23 IonicContact OE2-NE 2.96Å; E8-R23 PolarHBondContact OE2-NE 3.41Å; E8-R23 IonicContact OE2-NH2 3.73Å | ||
| 9 | R | 87.8 | Confident | 77.3 | Confident | 131 Ų | 131 | 85.8 Ų | 85.8 | 49% | 0.494 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.2 | 176.9 | -170.9 | -175.1 | -65.5 | -160.5 | 8.2 | 109.8 | N7 E20 T21 | N7-R9 PolarHBondContact O-N 3.13Å; R9-E20 WeakPolarHBondContact CD-OE2 3.37Å; R9-E20 IonicContact CZ-OE2 3.95Å; R9-E20 IonicContact NE-OE2 3.32Å; R9-E20 IonicContact NH1-OE2 3.76Å; R9-E20 PolarHBondContact NH1-OE2 3.13Å; R9-T21 WeakPolarHBondContact CA-O 3.43Å |
| 10 | V | 90 | Very high | 78.2 | Confident | 2 Ų | 2 | 86 Ų | 86 | 1% | 0.012 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.8 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | L12 T21 R23 F102 | V10-L12 HydrophobicContact CG1-CD2 4Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; V10-T21 PolarHBondContact N-O 2.92Å; V10-T21 PolarHBondContact O-N 3.44Å; V10-R23 HydrophobicContact CG2-CG 3.47Å; V10-R23 VanDerWaalsContact CG2-CG 3.47Å; V10-F102 HydrophobicContact CG1-CD2 3.67Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å |
| 11 | I | 93 | Very high | 78.9 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 13% | 0.133 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.8 | 175.9 | -52.5 | -179.8 | 0 | 0 | 0 | 108 | R18 E20 R100 E101 F102 | I11-R18 HydrophobicContact CG2-CB 4.2Å; I11-R18 HydrophobicContact CG2-CG 4.23Å; I11-E20 HydrophobicContact CG1-CG 4.3Å; I11-R100 PolarHBondContact N-O 2.97Å; I11-R100 VanDerWaalsContact N-O 3.09Å; I11-E101 HydrophobicContact CB-CB 4.17Å; I11-E101 HydrophobicContact CB-CG 4.29Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.92Å; I11-E101 CarbonylContact O-C 3.49Å; I11-E101 VanDerWaalsContact O-CA 3.28Å; I11-E101 WeakPolarHBondContact O-CA 3.4Å; I11-F102 PolarHBondContact O-N 3.25Å |
| 12 | L | 94.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.1 | 175.5 | -57.7 | 175.2 | 0 | 0 | 0 | 108.1 | V10 H19 T21 L26 L34 F102 F104 F111 | V10-L12 HydrophobicContact CG1-CD2 4Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; L12-H19 HydrophobicContact CB-CB 4.4Å; L12-H19 PolarHBondContact N-O 3.09Å; L12-H19 PolarHBondContact O-N 3.22Å; L12-T21 HydrophobicContact CD1-CG2 4.4Å; L12-L26 HydrophobicContact CD1-CD1 4.2Å; L12-L26 HydrophobicContact CD1-CD2 4.29Å; L12-L34 HydrophobicContact CD1-CD2 4.16Å; L12-F102 CarbonylContact C-O 3.49Å; L12-F102 HydrophobicContact CD2-CB 4.04Å; L12-F102 HydrophobicContact CD2-CD2 4.07Å; L12-F102 HydrophobicContact CD2-CG 4.44Å; L12-F104 HydrophobicContact CD2-CE2 4.28Å; L12-F111 HydrophobicContact CB-CE1 4.28Å; L12-F111 HydrophobicContact CB-CZ 4.3Å; L12-F111 HydrophobicContact CD1-CE1 4.21Å; L12-F111 HydrophobicContact CD1-CZ 3.64Å |
| 13 | N | 95.7 | Very high | 83.5 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 104.5 | 175.9 | -174.8 | -22.5 | 0 | 0 | 0 | 109.5 | G16 T17 E101 F102 F103 F104 | N13-G16 WeakPolarHBondContact OD1-CA 3.32Å; N13-G16 PolarHBondContact OD1-N 3.44Å; N13-G16 VanDerWaalsContact OD1-N 3.12Å; N13-T17 CarbonylContact C-O 3.56Å; N13-T17 WeakPolarHBondContact CA-O 2.92Å; N13-E101 HydrophobicContact CB-CG 3.91Å; N13-E101 VanDerWaalsContact CB-OE1 3.29Å; N13-E101 WeakPolarHBondContact CB-OE1 3.46Å; N13-E101 PolarHBondContact ND2-OE1 2.82Å; N13-F102 PolarHBondContact N-O 3.45Å; N13-F103 HydrophobicContact CB-CD2 4.2Å; N13-F103 CarbonylContact O-C 3.37Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.41Å; N13-F104 PolarHBondContact O-N 3.12Å |
| 14 | V | 96.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.4 | -178.4 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | G16 T17 F104 R106 P108 F111 W141 | V14-G16 PolarHBondContact O-N 3.38Å; V14-G16 VanDerWaalsContact O-N 3.1Å; V14-T17 PolarHBondContact N-O 2.99Å; V14-T17 WeakPolarHBondContact O-CB 3.21Å; V14-T17 PolarHBondContact O-N 3.01Å; V14-F104 CarbonylContact C-O 3.6Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.11Å; V14-F104 HydrophobicContact CG2-CB 4.3Å; V14-F104 HydrophobicContact CG2-CD2 4.46Å; V14-R106 HydrophobicContact CG1-CB 3.93Å; V14-P108 WeakPolarHBondContact O-CB 3.49Å; V14-F111 HydrophobicContact CB-CB 4.35Å; V14-F111 HydrophobicContact CB-CD1 4.09Å; V14-F111 HydrophobicContact CB-CG 4.16Å; V14-F111 HydrophobicContact CG1-CB 3.9Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CG 4.07Å; V14-F111 HydrophobicContact CG2-CB 4.39Å; V14-F111 HydrophobicContact CG2-CD1 3.47Å; V14-F111 VanDerWaalsContact CG2-CD1 3.47Å; V14-F111 HydrophobicContact CG2-CD2 4.05Å; V14-F111 HydrophobicContact CG2-CE1 3.65Å; V14-F111 HydrophobicContact CG2-CE2 4.19Å; V14-F111 HydrophobicContact CG2-CG 3.68Å; V14-F111 HydrophobicContact CG2-CZ 4.01Å; V14-W141 HydrophobicContact CG1-CZ2 4.27Å; V14-W141 HydrophobicContact CG2-CH2 4.3Å; V14-W141 HydrophobicContact CG2-CZ2 4.49Å |
| 15 | G | 94.4 | Very high | 87.9 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F104 R106 | G15-F104 PolarHBondContact N-O 3.17Å; G15-R106 PolarHBondContact N-O 2.97Å |
| 16 | G | 93.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 58% | 0.577 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -5.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N13 V14 | N13-G16 WeakPolarHBondContact OD1-CA 3.32Å; N13-G16 PolarHBondContact OD1-N 3.44Å; N13-G16 VanDerWaalsContact OD1-N 3.12Å; V14-G16 PolarHBondContact O-N 3.38Å; V14-G16 VanDerWaalsContact O-N 3.1Å |
| 17 | T | 95.7 | Very high | 91.5 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.4 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | N13 V14 H19 P108 | N13-T17 CarbonylContact C-O 3.56Å; N13-T17 WeakPolarHBondContact CA-O 2.92Å; V14-T17 PolarHBondContact N-O 2.99Å; V14-T17 WeakPolarHBondContact O-CB 3.21Å; V14-T17 PolarHBondContact O-N 3.01Å; T17-H19 PolarHBondContact O-CD2 3.01Å; T17-P108 HydrophobicContact CG2-CB 4.37Å; T17-P108 WeakPolarHBondContact OG1-CB 3.4Å |
| 18 | R | 95.6 | Very high | 92.7 | Very high | 153 Ų | 153 | 49.6 Ų | 49.6 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.4 | 179.6 | -67.9 | -179.4 | 175.4 | 138 | -5.7 | 111.5 | I11 E101 | I11-R18 HydrophobicContact CG2-CB 4.2Å; I11-R18 HydrophobicContact CG2-CG 4.23Å; R18-E101 IonicContact CZ-OE1 3.14Å; R18-E101 IonicContact NE-OE1 2.74Å; R18-E101 PolarHBondContact NE-OE1 3.42Å; R18-E101 IonicContact NE-OE2 3.91Å; R18-E101 IonicContact NH2-OE1 2.86Å; R18-E101 IonicContact NH2-OE2 3.91Å |
| 19 | H | 95.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.2 | 173.1 | -63.2 | -100.3 | 0 | 0 | 0 | 109.8 | L12 T17 F111 L115 | L12-H19 HydrophobicContact CB-CB 4.4Å; L12-H19 PolarHBondContact N-O 3.09Å; L12-H19 PolarHBondContact O-N 3.22Å; T17-H19 PolarHBondContact O-CD2 3.01Å; H19-F111 HydrophobicContact CB-CD1 4.33Å; H19-F111 HydrophobicContact CB-CE1 3.85Å; H19-F111 AromaticContact CD2-CD1 3.57Å; H19-F111 AromaticContact CD2-CE1 3.92Å; H19-F111 AromaticContact CE1-CD1 3.84Å; H19-F111 AromaticContact CG-CD1 3.68Å; H19-F111 AromaticContact CG-CE1 3.72Å; H19-F111 AromaticContact ND1-CD1 3.84Å; H19-F111 AromaticContact NE2-CD1 3.7Å; H19-L115 HydrophobicContact CB-CD2 3.86Å |
| 20 | E | 93.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 42% | 0.416 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.5 | 178.6 | -61.1 | -173.6 | -160.6 | 0 | 0 | 111.4 | R9 I11 R119 | R9-E20 WeakPolarHBondContact CD-OE2 3.37Å; R9-E20 IonicContact CZ-OE2 3.95Å; R9-E20 IonicContact NE-OE2 3.32Å; R9-E20 IonicContact NH1-OE2 3.76Å; R9-E20 PolarHBondContact NH1-OE2 3.13Å; I11-E20 HydrophobicContact CG1-CG 4.3Å; E20-R119 PolarHBondContact O-NH2 3.26Å |
| 21 | T | 93.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | -177.7 | 176.1 | -163.8 | 0 | 0 | 0 | 0 | 111.5 | R9 V10 L12 T25 L26 L115 | R9-T21 WeakPolarHBondContact CA-O 3.43Å; V10-T21 PolarHBondContact N-O 2.92Å; V10-T21 PolarHBondContact O-N 3.44Å; L12-T21 HydrophobicContact CD1-CG2 4.4Å; T21-T25 WeakPolarHBondContact OG1-CB 3.29Å; T21-L26 HydrophobicContact CG2-CD1 4.06Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.82Å; T21-L115 HydrophobicContact CG2-CD1 4.08Å |
| 22 | Y | 92 | Very high | 93.3 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 42% | 0.42 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 148 | 177.7 | -60.9 | -76.2 | 0 | 0 | 0 | 110.6 | N7 E8 S24 T25 L26 | N7-Y22 WeakPolarHBondContact O-CD1 3.04Å; E8-Y22 WeakPolarHBondContact O-CA 3.48Å; Y22-S24 WeakPolarHBondContact CB-OG 3.07Å; Y22-S24 PolarHBondContact O-N 3.29Å; Y22-T25 WeakPolarHBondContact O-CB 3.3Å; Y22-T25 PolarHBondContact O-N 3.47Å; Y22-L26 PolarHBondContact O-N 2.95Å |
| 23 | R | 90.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 54 Ų | 54 | 4% | 0.038 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.7 | -36.2 | 172.6 | -74 | -166.5 | -175.6 | -80.5 | -11.1 | 112.5 | E8 V10 T25 L26 K27 L37 A38 | E8-R23 HydrophobicContact CB-CG 4.16Å; E8-R23 PolarHBondContact O-N 2.91Å; E8-R23 IonicContact OE1-CZ 3.61Å; E8-R23 IonicContact OE1-NE 3.71Å; E8-R23 PolarHBondContact OE1-NE 3.43Å; E8-R23 IonicContact OE1-NH2 3.81Å; E8-R23 PolarHBondContact OE1-NH2 2.77Å; E8-R23 WeakPolarHBondContact OE2-CD 3.4Å; E8-R23 IonicContact OE2-CZ 3.53Å; E8-R23 IonicContact OE2-NE 2.96Å; E8-R23 PolarHBondContact OE2-NE 3.41Å; E8-R23 IonicContact OE2-NH2 3.73Å; V10-R23 HydrophobicContact CG2-CG 3.47Å; V10-R23 VanDerWaalsContact CG2-CG 3.47Å; R23-T25 VanDerWaalsContact C-N 3.3Å; R23-T25 PolarHBondContact O-N 3.26Å; R23-L26 PolarHBondContact O-N 3.15Å; R23-K27 WeakPolarHBondContact O-CG 3.29Å; R23-K27 PolarHBondContact O-N 3.21Å; R23-L37 PolarHBondContact NH1-O 3.41Å; R23-A38 PolarHBondContact NH1-O 3.17Å |
| 24 | S | 91.5 | Very high | 93.1 | Very high | 39 Ų | 39 | 52.9 Ų | 52.9 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 175.3 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | N6 Y22 K27 T28 | N6-S24 WeakPolarHBondContact O-CB 2.78Å; N6-S24 PolarHBondContact O-OG 2.9Å; Y22-S24 WeakPolarHBondContact CB-OG 3.07Å; Y22-S24 PolarHBondContact O-N 3.29Å; S24-K27 PolarHBondContact O-N 3.42Å; S24-T28 WeakPolarHBondContact O-CG2 3.28Å |
| 25 | T | 93.8 | Very high | 92.9 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111.8 | T21 Y22 R23 K27 T28 Y118 R119 | T21-T25 WeakPolarHBondContact OG1-CB 3.29Å; Y22-T25 WeakPolarHBondContact O-CB 3.3Å; Y22-T25 PolarHBondContact O-N 3.47Å; R23-T25 VanDerWaalsContact C-N 3.3Å; R23-T25 PolarHBondContact O-N 3.26Å; T25-K27 VanDerWaalsContact C-N 3.33Å; T25-K27 PolarHBondContact O-N 2.93Å; T25-T28 WeakPolarHBondContact O-CG2 3.45Å; T25-T28 PolarHBondContact O-N 3.07Å; T25-T28 PolarHBondContact O-OG1 3.37Å; T25-Y118 WeakPolarHBondContact O-CD1 3.47Å; T25-R119 HydrophobicContact CG2-CB 4.48Å; T25-R119 HydrophobicContact CG2-CG 3.74Å |
| 26 | L | 93.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.9 | -25.2 | -179.6 | -61.3 | -174.6 | 0 | 0 | 0 | 113.2 | L12 T21 Y22 R23 T28 L34 A35 A38 L115 Y118 | L12-L26 HydrophobicContact CD1-CD1 4.2Å; L12-L26 HydrophobicContact CD1-CD2 4.29Å; T21-L26 HydrophobicContact CG2-CD1 4.06Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.82Å; Y22-L26 PolarHBondContact O-N 2.95Å; R23-L26 PolarHBondContact O-N 3.15Å; L26-T28 VanDerWaalsContact C-N 3.28Å; L26-T28 PolarHBondContact O-N 2.81Å; L26-L34 HydrophobicContact CD2-CB 4.08Å; L26-L34 HydrophobicContact CD2-CD1 4.05Å; L26-A35 WeakPolarHBondContact O-CA 3.44Å; L26-A35 WeakPolarHBondContact O-CB 3.33Å; L26-A38 HydrophobicContact CB-CB 3.68Å; L26-A38 HydrophobicContact CD1-CB 4.49Å; L26-L115 HydrophobicContact CD2-CD1 3.97Å; L26-Y118 HydrophobicContact CD2-CD1 4.41Å; L26-Y118 WeakPolarHBondContact O-CE1 3.34Å |
| 27 | K | 92.2 | Very high | 92.4 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.7 | 176.2 | -71.7 | 177 | -179.6 | -177.4 | 0 | 113.6 | R23 S24 T25 L29 A38 | R23-K27 WeakPolarHBondContact O-CG 3.29Å; R23-K27 PolarHBondContact O-N 3.21Å; S24-K27 PolarHBondContact O-N 3.42Å; T25-K27 VanDerWaalsContact C-N 3.33Å; T25-K27 PolarHBondContact O-N 2.93Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3.35Å; K27-A38 WeakPolarHBondContact CE-O 3.23Å; K27-A38 HydrophobicContact CG-CB 3.76Å |
| 28 | T | 92.9 | Very high | 91.9 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.2 | -176.8 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | S24 T25 L26 P30 Y118 | S24-T28 WeakPolarHBondContact O-CG2 3.28Å; T25-T28 WeakPolarHBondContact O-CG2 3.45Å; T25-T28 PolarHBondContact O-N 3.07Å; T25-T28 PolarHBondContact O-OG1 3.37Å; L26-T28 VanDerWaalsContact C-N 3.28Å; L26-T28 PolarHBondContact O-N 2.81Å; T28-P30 WeakPolarHBondContact O-CD 3.48Å; T28-Y118 PolarHBondContact OG1-O 3.28Å |
| 29 | L | 93.1 | Very high | 91 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -115.8 | 83.6 | -179.4 | -62.6 | 171.7 | 0 | 0 | 0 | 109.9 | K27 T32 A35 Y117 Y118 | K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3.35Å; L29-T32 HydrophobicContact CB-CG2 3.93Å; L29-T32 WeakPolarHBondContact O-CG2 3.5Å; L29-T32 PolarHBondContact O-OG1 3.44Å; L29-A35 WeakPolarHBondContact O-CB 3.26Å; L29-Y117 HydrophobicContact CD1-CD1 3.39Å; L29-Y117 HydrophobicContact CD1-CE1 3.23Å; L29-Y117 HydrophobicContact CD1-CE2 4.47Å; L29-Y117 HydrophobicContact CD1-CG 4.1Å; L29-Y117 HydrophobicContact CD2-CE1 4.17Å; L29-Y117 HydrophobicContact CG-CE1 4.33Å; L29-Y118 HydrophobicContact CB-CD1 4.05Å; L29-Y118 HydrophobicContact CB-CE1 3.69Å; L29-Y118 HydrophobicContact CD1-CD1 3.82Å; L29-Y118 HydrophobicContact CD1-CD2 3.93Å; L29-Y118 HydrophobicContact CD1-CE1 3.91Å; L29-Y118 HydrophobicContact CD1-CE2 3.95Å; L29-Y118 HydrophobicContact CD1-CG 3.84Å; L29-Y118 HydrophobicContact CG-CD1 4.11Å; L29-Y118 HydrophobicContact CG-CE1 4.2Å |
| 30 | P | 90.7 | Very high | 89.9 | Confident | 109 Ų | 109 | 49 Ų | 49 | 71% | 0.708 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 153.2 | -176.1 | 28 | -35.5 | 0 | 0 | 0 | 112.2 | T28 T32 | T28-P30 WeakPolarHBondContact O-CD 3.48Å; P30-T32 PolarHBondContact O-N 2.98Å |
| 31 | G | 86.6 | Confident | 88.1 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 74% | 0.742 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -13.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 32 | T | 94 | Very high | 86.2 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -75.6 | 162 | 173.7 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | L29 P30 L34 A35 L36 Y118 | L29-T32 HydrophobicContact CB-CG2 3.93Å; L29-T32 WeakPolarHBondContact O-CG2 3.5Å; L29-T32 PolarHBondContact O-OG1 3.44Å; P30-T32 PolarHBondContact O-N 2.98Å; T32-L34 VanDerWaalsContact C-N 3.28Å; T32-L34 PolarHBondContact O-N 3.45Å; T32-A35 PolarHBondContact O-N 3.39Å; T32-A35 WeakPolarHBondContact OG1-CB 3.33Å; T32-A35 PolarHBondContact OG1-N 2.94Å; T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 3.42Å; T32-Y118 WeakPolarHBondContact CB-OH 3.39Å; T32-Y118 WeakPolarHBondContact CG2-OH 3.09Å; T32-Y118 PolarHBondContact OG1-OH 3.16Å |
| 33 | R | 93 | Very high | 84 | Confident | 101 Ų | 101 | 56.5 Ų | 56.5 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 177.7 | -172.7 | -173.8 | -65 | -103.1 | 1.5 | 112.1 | L36 L37 F140 W141 | R33-L36 PolarHBondContact O-N 3.2Å; R33-L37 WeakPolarHBondContact O-CG 3.27Å; R33-L37 PolarHBondContact O-N 3.05Å; R33-F140 PolarHBondContact NE-O 3.46Å; R33-F140 PolarHBondContact NH2-O 3.07Å; R33-W141 WeakPolarHBondContact CB-O 3.42Å; R33-W141 PolarHBondContact N-O 3.4Å |
| 34 | L | 93.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.8 | -32.2 | -177.8 | -60.6 | -178.7 | 0 | 0 | 0 | 112.8 | L12 L26 T32 L36 L37 A38 F111 V114 Y118 W141 | L12-L34 HydrophobicContact CD1-CD2 4.16Å; L26-L34 HydrophobicContact CD2-CB 4.08Å; L26-L34 HydrophobicContact CD2-CD1 4.05Å; T32-L34 VanDerWaalsContact C-N 3.28Å; T32-L34 PolarHBondContact O-N 3.45Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.38Å; L34-L37 HydrophobicContact CD2-CD1 3.79Å; L34-L37 PolarHBondContact O-N 2.76Å; L34-A38 PolarHBondContact O-N 3.35Å; L34-A38 VanDerWaalsContact O-N 3.12Å; L34-F111 HydrophobicContact CD1-CE2 3.93Å; L34-F111 HydrophobicContact CD1-CZ 4.12Å; L34-F111 HydrophobicContact CD2-CE2 4.39Å; L34-V114 HydrophobicContact CD1-CG1 4.48Å; L34-Y118 HydrophobicContact CB-CE1 4.01Å; L34-Y118 HydrophobicContact CD1-CD2 4.18Å; L34-Y118 HydrophobicContact CD1-CE1 4.45Å; L34-Y118 HydrophobicContact CD1-CE2 3.67Å; L34-Y118 HydrophobicContact CG-CE2 4.47Å; L34-W141 HydrophobicContact CD2-CE3 3.91Å; L34-W141 HydrophobicContact CD2-CZ3 3.62Å; L34-W141 HydrophobicContact CG-CE3 4.12Å; L34-W141 HydrophobicContact CG-CZ3 4.34Å |
| 35 | A | 91.2 | Very high | 78.5 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 8% | 0.083 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L26 L29 T32 L37 A38 S39 | L26-A35 WeakPolarHBondContact O-CA 3.44Å; L26-A35 WeakPolarHBondContact O-CB 3.33Å; L29-A35 WeakPolarHBondContact O-CB 3.26Å; T32-A35 PolarHBondContact O-N 3.39Å; T32-A35 WeakPolarHBondContact OG1-CB 3.33Å; T32-A35 PolarHBondContact OG1-N 2.94Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.79Å; A35-A38 WeakPolarHBondContact O-CB 3.28Å; A35-A38 PolarHBondContact O-N 2.93Å; A35-A38 VanDerWaalsContact O-N 3.17Å; A35-S39 PolarHBondContact O-N 2.75Å; A35-S39 VanDerWaalsContact O-N 3.11Å; A35-S39 PolarHBondContact O-OG 3.01Å |
| 36 | L | 89.5 | Confident | 75.4 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 58% | 0.576 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.8 | -35.9 | 175.4 | -64.9 | 172.5 | 0 | 0 | 0 | 112.5 | T32 R33 L34 A38 S39 S40 | T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 3.42Å; R33-L36 PolarHBondContact O-N 3.2Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.38Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-S39 WeakPolarHBondContact CA-OG 3.31Å; L36-S39 PolarHBondContact O-N 3.44Å; L36-S39 PolarHBondContact O-OG 3.22Å; L36-S40 PolarHBondContact O-N 3.38Å |
| 37 | L | 87.9 | Confident | 72.5 | Confident | 13 Ų | 13 | 75.9 Ų | 75.9 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.3 | -32.2 | 173.3 | -64.2 | 165.7 | 0 | 0 | 0 | 112.2 | R23 R33 L34 A35 S39 S40 F102 F104 | R23-L37 PolarHBondContact NH1-O 3.41Å; R33-L37 WeakPolarHBondContact O-CG 3.27Å; R33-L37 PolarHBondContact O-N 3.05Å; L34-L37 HydrophobicContact CD2-CD1 3.79Å; L34-L37 PolarHBondContact O-N 2.76Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.79Å; L37-S39 VanDerWaalsContact C-N 3.33Å; L37-S40 PolarHBondContact O-OG 2.97Å; L37-F102 HydrophobicContact CD2-CD1 4.19Å; L37-F102 HydrophobicContact CD2-CE1 4.29Å; L37-F104 HydrophobicContact CD1-CE1 4.32Å; L37-F104 HydrophobicContact CD1-CE2 3.85Å; L37-F104 HydrophobicContact CD1-CZ 3.32Å; L37-F104 HydrophobicContact CD2-CZ 4.29Å; L37-F104 HydrophobicContact CG-CZ 4.41Å |
| 38 | A | 85.1 | Confident | 69.5 | Low | 3 Ų | 3 | 77.2 Ų | 77.2 | 3% | 0.025 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -75.1 | -25.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R23 L26 K27 L34 A35 L36 | R23-A38 PolarHBondContact NH1-O 3.17Å; L26-A38 HydrophobicContact CB-CB 3.68Å; L26-A38 HydrophobicContact CD1-CB 4.49Å; K27-A38 WeakPolarHBondContact CE-O 3.23Å; K27-A38 HydrophobicContact CG-CB 3.76Å; L34-A38 PolarHBondContact O-N 3.35Å; L34-A38 VanDerWaalsContact O-N 3.12Å; A35-A38 WeakPolarHBondContact O-CB 3.28Å; A35-A38 PolarHBondContact O-N 2.93Å; A35-A38 VanDerWaalsContact O-N 3.17Å; L36-A38 VanDerWaalsContact C-N 3.3Å |
| 39 | S | 78.4 | Confident | 66.6 | Low | 74 Ų | 74 | 80.6 Ų | 80.6 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -89.5 | -17.5 | 178.3 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | A35 L36 L37 E41 | A35-S39 PolarHBondContact O-N 2.75Å; A35-S39 VanDerWaalsContact O-N 3.11Å; A35-S39 PolarHBondContact O-OG 3.01Å; L36-S39 WeakPolarHBondContact CA-OG 3.31Å; L36-S39 PolarHBondContact O-N 3.44Å; L36-S39 PolarHBondContact O-OG 3.22Å; L37-S39 VanDerWaalsContact C-N 3.33Å; S39-E41 PolarHBondContact O-N 3.21Å |
| 40 | S | 70.8 | Confident | 63.8 | Low | 46 Ų | 46 | 83.9 Ų | 83.9 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -65.8 | 116.9 | 174.6 | 62.9 | 0 | 0 | 0 | 0 | 111 | L36 L37 | L36-S40 PolarHBondContact O-N 3.38Å; L37-S40 PolarHBondContact O-OG 2.97Å |
| 41 | E | 57.1 | Low | 61.2 | Low | 168 Ų | 168 | 82.2 Ų | 82.2 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 154.8 | 176.6 | -72.9 | -164.5 | 156.1 | 0 | 0 | 111.9 | S39 | S39-E41 PolarHBondContact O-N 3.21Š|
| 42 | P | 53.8 | Low | 58.7 | Low | 77 Ų | 77 | 86.3 Ų | 86.3 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 135.7 | 164.3 | -4.4 | 10.8 | 0 | 0 | 0 | 111 | G44 R100 | P42-G44 PolarHBondContact O-N 3.17Å; P42-R100 VanDerWaalsContact CA-NH1 3.33Å |
| 43 | P | 45.1 | Very low | 56.1 | Low | 114 Ų | 114 | 95.3 Ų | 95.3 | 74% | 0.74 | 57% | 0.573 | S | S | * | * | trans | -58.6 | 108.5 | 156.5 | -4 | 17.3 | 0 | 0 | 0 | 106 | D45 | P43-D45 PolarHBondContact O-N 3.42Š| ||
| 44 | G | 34.9 | Very low | 53.5 | Low | 64 Ų | 64 | 97.6 Ų | 97.6 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | trans | -59.6 | 134 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P42 C46 | P42-G44 PolarHBondContact O-N 3.17Å; G44-C46 PolarHBondContact O-N 2.8Å | ||
| 45 | D | 32.1 | Very low | 50.9 | Low | 149 Ų | 149 | 105.6 Ų | 105.6 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | trans | -54 | 108.5 | 174.7 | -69.1 | -45.4 | 0 | 0 | 0 | 110.2 | P43 L47 | P43-D45 PolarHBondContact O-N 3.42Å; D45-L47 HydrophobicContact CB-CD1 4.4Å; D45-L47 PolarHBondContact O-N 2.88Å | ||
| 46 | C | 28.1 | Very low | 48.4 | Very low | 136 Ų | 136 | 110.5 Ų | 110.5 | 92% | 0.919 | 66% | 0.661 | S | S | * | * | trans | -72 | 77.1 | 160 | -84.5 | 0 | 0 | 0 | 0 | 108.7 | G44 | G44-C46 PolarHBondContact O-N 2.8Š| ||
| 47 | L | 32 | Very low | 45.9 | Very low | 132 Ų | 132 | 110.6 Ų | 110.6 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | trans | -117.1 | 103.3 | 165.4 | -100.2 | 113.4 | 0 | 0 | 0 | 110.5 | D45 | D45-L47 HydrophobicContact CB-CD1 4.4Å; D45-L47 PolarHBondContact O-N 2.88Å | ||
| 48 | T | 30.4 | Very low | 44.1 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | 47.5 | 93.9 | 138.6 | 59.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 49 | T | 31.3 | Very low | 42.6 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 91% | 0.908 | 74% | 0.74 | S | S | * | * | trans | -107.1 | 72.4 | 150.6 | 44.3 | 0 | 0 | 0 | 0 | 109.5 | G51 | T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.28Å | ||
| 50 | A | 34.9 | Very low | 41 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -79.8 | 89.1 | 158 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 51 | G | 34.9 | Very low | 39.8 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -85.5 | 118.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T49 | T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.28Å | ||
| 52 | D | 34.8 | Very low | 39.7 | Very low | 159 Ų | 159 | 126.3 Ų | 126.3 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -134 | 108.1 | 164.6 | -110.5 | -22.9 | 0 | 0 | 0 | 108.8 | ||||
| 53 | K | 39.4 | Very low | 39.8 | Very low | 200 Ų | 200 | 128.4 Ų | 128.4 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -178.5 | 110 | 141.8 | -100.6 | 178.2 | -174.7 | -164.9 | 0 | 110.5 | ||||
| 54 | L | 37.1 | Very low | 40.4 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 18.6 | 137.6 | 138.6 | -94.3 | 71.2 | 0 | 0 | 0 | 117.1 | ||||
| 55 | Q | 40.1 | Very low | 41.2 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | cis | 173.7 | -172 | 14.5 | -161.1 | 164.9 | 25.4 | 0 | 0 | 105.7 | ||||
| 56 | P | 39 | Very low | 41.5 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | -108.5 | 162.9 | -80.1 | 37.7 | -23.3 | 0 | 0 | 0 | 115.5 | |||||
| 57 | S | 36.6 | Very low | 42.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 163.8 | 176 | 51.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 58 | P | 50.5 | Low | 43.2 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | -150.7 | -178 | 120.1 | 40.3 | -23.9 | 0 | 0 | 0 | 114.5 | |||||
| 59 | P | 53.9 | Low | 43.5 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -120.6 | 177 | -62.5 | 37.4 | -20.8 | 0 | 0 | 0 | 112.3 | |||||
| 60 | P | 43.3 | Very low | 43.8 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -101.5 | 154.4 | -163.4 | 37.5 | -30.6 | 0 | 0 | 0 | 114.4 | ||||
| 61 | L | 46.8 | Very low | 44 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -145.8 | 112.4 | 166 | -98.8 | 141.7 | 0 | 0 | 0 | 113.6 | ||||
| 62 | S | 54.3 | Low | 44.4 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 61.2 | 127.9 | 147.7 | 55.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 63 | P | 57.3 | Low | 44.5 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -111 | 167.6 | 169.7 | 40 | -29.1 | 0 | 0 | 0 | 113.8 | ||||
| 64 | P | 56.9 | Low | 44.5 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -138.9 | -177.4 | 146.5 | 43.8 | -28.9 | 0 | 0 | 0 | 112.3 | ||||
| 65 | P | 51.5 | Low | 44.1 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | -110.4 | 165.5 | -97.3 | 22.6 | -0.3 | 0 | 0 | 0 | 114.7 | |||||
| 66 | R | 37.9 | Very low | 43.6 | Very low | 246 Ų | 246 | 122 Ų | 122 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -85.6 | 140.2 | -170.9 | -152.9 | 178.4 | -148.9 | -153.9 | 4.1 | 112.8 | ||||
| 67 | A | 47.4 | Very low | 43.2 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -111.3 | 155.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 68 | P | 49.3 | Very low | 42.8 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -84.3 | 162.7 | -148.1 | 33 | -34.4 | 0 | 0 | 0 | 115.1 | ||||
| 69 | P | 36.8 | Very low | 41.8 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -86.2 | 135.9 | -169.7 | 34 | -30.6 | 0 | 0 | 0 | 112.1 | ||||
| 70 | L | 36.7 | Very low | 40.9 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -120.3 | 134.5 | 164.9 | -85.1 | 157.9 | 0 | 0 | 0 | 109.3 | ||||
| 71 | S | 40.5 | Very low | 40.4 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -42.2 | 143.3 | -166.6 | -39.2 | 0 | 0 | 0 | 0 | 117.6 | G73 | S71-G73 PolarHBondContact O-N 3.18Š| ||
| 72 | P | 42 | Very low | 40.2 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 116.9 | 171.2 | 29.9 | -25.4 | 0 | 0 | 0 | 110.7 | ||
| 73 | G | 36.3 | Very low | 39.7 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 153.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S71 G75 | S71-G73 PolarHBondContact O-N 3.18Å; G73-G75 PolarHBondContact O-N 2.67Å |
| 74 | P | 39.5 | Very low | 39 | Very low | 135 Ų | 135 | 114.6 Ų | 114.6 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 117.6 | -165.3 | 28.6 | -32.9 | 0 | 0 | 0 | 111.1 | G76 | P74-G76 PolarHBondContact O-N 3.33Å; P74-G76 VanDerWaalsContact O-N 3.09Å |
| 75 | G | 30.4 | Very low | 38.4 | Very low | 80 Ų | 80 | 111.8 Ų | 111.8 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -65.4 | 102.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G73 C77 | G73-G75 PolarHBondContact O-N 2.67Å; G75-C77 PolarHBondContact O-N 3.09Å | ||
| 76 | G | 29.5 | Very low | 37.9 | Very low | 67 Ų | 67 | 110.2 Ų | 110.2 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -79.7 | 109.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P74 F78 | P74-G76 PolarHBondContact O-N 3.33Å; P74-G76 VanDerWaalsContact O-N 3.09Å; G76-F78 PolarHBondContact O-N 3.45Å | ||
| 77 | C | 30.1 | Very low | 37.8 | Very low | 126 Ų | 126 | 104 Ų | 104 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | trans | -66.5 | 117.8 | 164.3 | -63.6 | 0 | 0 | 0 | 0 | 109.1 | G75 E79 | G75-C77 PolarHBondContact O-N 3.09Å; C77-E79 PolarHBondContact O-N 2.84Å | ||
| 78 | F | 28.1 | Very low | 37.1 | Very low | 190 Ų | 190 | 111 Ų | 111 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | trans | -83.5 | 102 | 172 | -111.8 | -95.8 | 0 | 0 | 0 | 109.1 | G76 G80 | G76-F78 PolarHBondContact O-N 3.45Å; F78-G80 PolarHBondContact O-N 2.82Å | ||
| 79 | E | 29.9 | Very low | 36.2 | Very low | 172 Ų | 172 | 109.7 Ų | 109.7 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -79.5 | 89.7 | 165.8 | -77 | -172.3 | 125.5 | 0 | 0 | 109.3 | C77 | C77-E79 PolarHBondContact O-N 2.84Š| ||
| 80 | G | 33.5 | Very low | 35.7 | Very low | 62 Ų | 62 | 106.9 Ų | 106.9 | 64% | 0.639 | 72% | 0.719 | S | S | * | * | trans | -83.5 | 117.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | F78 A82 | F78-G80 PolarHBondContact O-N 2.82Å; G80-A82 PolarHBondContact O-N 2.96Å | ||
| 81 | G | 33.2 | Very low | 35.2 | Very low | 62 Ų | 62 | 110.3 Ų | 110.3 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | -55.4 | 90.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 82 | A | 42.5 | Very low | 34.7 | Very low | 65 Ų | 65 | 109.5 Ų | 109.5 | 54% | 0.537 | 72% | 0.721 | S | S | . | * | trans | -63.3 | 138.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | G80 N84 | G80-A82 PolarHBondContact O-N 2.96Å; A82-N84 PolarHBondContact O-N 2.75Å | ||
| 83 | G | 43.5 | Very low | 34.3 | Very low | 16 Ų | 16 | 107.7 Ų | 107.7 | 17% | 0.165 | 71% | 0.711 | C | S | . | * | trans | -47.2 | 139.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | C85 | G83-C85 PolarHBondContact O-N 2.79Š| ||
| 84 | N | 43.8 | Very low | 34.2 | Very low | 132 Ų | 132 | 112 Ų | 112 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -53.6 | 102.4 | -178 | -90.1 | -7.5 | 0 | 0 | 0 | 109.4 | A82 S86 | A82-N84 PolarHBondContact O-N 2.75Å; N84-S86 PolarHBondContact O-N 2.9Å | ||
| 85 | C | 44.3 | Very low | 34.1 | Very low | 61 Ų | 61 | 112.5 Ų | 112.5 | 41% | 0.412 | 71% | 0.71 | S | S | . | * | B | Isolated β-bridge | trans | -62.1 | 110.8 | 163.1 | -91.9 | 0 | 0 | 0 | 0 | 105.6 | G83 S87 | G83-C85 PolarHBondContact O-N 2.79Å; C85-S87 PolarHBondContact O-N 2.74Å |
| 86 | S | 40.4 | Very low | 34.4 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | -74.7 | 70.4 | 173.4 | -63.9 | 0 | 0 | 0 | 0 | 109 | N84 R88 | N84-S86 PolarHBondContact O-N 2.9Å; S86-R88 PolarHBondContact O-N 2.81Å | ||
| 87 | S | 36.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | trans | -88.2 | 54.7 | 167.3 | -56.6 | 0 | 0 | 0 | 0 | 109 | C85 | C85-S87 PolarHBondContact O-N 2.74Š| ||
| 88 | R | 33.4 | Very low | 35.9 | Very low | 233 Ų | 233 | 113.2 Ų | 113.2 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | trans | -105.4 | 110.9 | 174.5 | -160.4 | 172.5 | 180 | -178.8 | -0.6 | 108.9 | S86 G90 | S86-R88 PolarHBondContact O-N 2.81Å; R88-G90 PolarHBondContact O-N 2.93Å | ||
| 89 | G | 28.8 | Very low | 37.4 | Very low | 91 Ų | 91 | 105.2 Ų | 105.2 | 94% | 0.938 | 68% | 0.683 | S | S | * | * | trans | -44 | 99.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 90 | G | 27.3 | Very low | 39.5 | Very low | 64 Ų | 64 | 100 Ų | 100 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | trans | -146.6 | 120.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | R88 A92 | R88-G90 PolarHBondContact O-N 2.93Å; G90-A92 PolarHBondContact O-N 2.91Å | ||
| 91 | R | 27.2 | Very low | 42.1 | Very low | 243 Ų | 243 | 100 Ų | 100 | 92% | 0.917 | 64% | 0.64 | S | S | * | * | trans | -5.2 | 115.4 | -178.9 | -78 | 176.8 | 178.5 | 171.3 | -0.9 | 114.4 | S93 | R91-S93 VanDerWaalsContact C-N 3.26Å; R91-S93 PolarHBondContact O-N 3.09Å | ||
| 92 | A | 29.9 | Very low | 44.8 | Very low | 91 Ų | 91 | 97.2 Ų | 97.2 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | trans | -45.3 | 96.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | G90 D94 | G90-A92 PolarHBondContact O-N 2.91Å; A92-D94 PolarHBondContact O-N 2.79Å | ||
| 93 | S | 32.7 | Very low | 47.3 | Very low | 95 Ų | 95 | 98.1 Ų | 98.1 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | trans | -69.4 | 107.3 | 155.9 | 50.3 | 0 | 0 | 0 | 0 | 104 | R91 H95 | R91-S93 VanDerWaalsContact C-N 3.26Å; R91-S93 PolarHBondContact O-N 3.09Å; S93-H95 VanDerWaalsContact C-N 3.28Å; S93-H95 PolarHBondContact O-N 3.33Å | ||
| 94 | D | 34.4 | Very low | 49.8 | Very low | 153 Ų | 153 | 98 Ų | 98 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | trans | -47.8 | 93.4 | 173.2 | -71.9 | -46 | 0 | 0 | 0 | 109.8 | A92 | A92-D94 PolarHBondContact O-N 2.79Š| ||
| 95 | H | 38 | Very low | 52.3 | Low | 146 Ų | 146 | 98.1 Ų | 98.1 | 68% | 0.676 | 60% | 0.598 | S | S | * | * | trans | -100.8 | 116.2 | 156.6 | -85.3 | 2.5 | 0 | 0 | 0 | 105.9 | S93 G97 | S93-H95 VanDerWaalsContact C-N 3.28Å; S93-H95 PolarHBondContact O-N 3.33Å; H95-G97 VanDerWaalsContact C-N 3.28Å; H95-G97 PolarHBondContact O-N 3.3Å | ||
| 96 | P | 36.7 | Very low | 54.8 | Low | 141 Ų | 141 | 98.6 Ų | 98.6 | 92% | 0.916 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -71.2 | 88.6 | -178.5 | 28.6 | -30.8 | 0 | 0 | 0 | 108.4 | ||
| 97 | G | 43.6 | Very low | 57.4 | Low | 55 Ų | 55 | 97.6 Ų | 97.6 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 152.5 | 71.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H95 G99 | H95-G97 VanDerWaalsContact C-N 3.28Å; H95-G97 PolarHBondContact O-N 3.3Å; G97-G99 VanDerWaalsContact C-N 3.28Å; G97-G99 PolarHBondContact O-N 3.49Å |
| 98 | G | 46.9 | Very low | 60.3 | Low | 91 Ų | 91 | 93.8 Ų | 93.8 | 94% | 0.938 | 55% | 0.548 | S | S | * | . | trans | -66.8 | 64 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 99 | G | 59.8 | Low | 63.3 | Low | 22 Ų | 22 | 84.3 Ų | 84.3 | 23% | 0.227 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 140.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G97 | G97-G99 VanDerWaalsContact C-N 3.28Å; G97-G99 PolarHBondContact O-N 3.49Å |
| 100 | R | 73.8 | Confident | 66.5 | Low | 62 Ų | 62 | 80 Ų | 80 | 23% | 0.234 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 133.8 | 172.8 | -75.8 | -177.2 | -109.4 | 164.7 | 0.1 | 110.6 | I11 P42 F102 | I11-R100 PolarHBondContact N-O 2.97Å; I11-R100 VanDerWaalsContact N-O 3.09Å; P42-R100 VanDerWaalsContact CA-NH1 3.33Å; R100-F102 HydrophobicContact CB-CE2 4.21Å; R100-F102 HydrophobicContact CB-CZ 4.48Å |
| 101 | E | 87.5 | Confident | 69.9 | Low | 63 Ų | 63 | 77 Ų | 77 | 29% | 0.294 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.9 | 175.1 | -174.7 | 172.5 | -172.3 | 0 | 0 | 110.3 | I11 N13 R18 | I11-E101 HydrophobicContact CB-CB 4.17Å; I11-E101 HydrophobicContact CB-CG 4.29Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.92Å; I11-E101 CarbonylContact O-C 3.49Å; I11-E101 VanDerWaalsContact O-CA 3.28Å; I11-E101 WeakPolarHBondContact O-CA 3.4Å; N13-E101 HydrophobicContact CB-CG 3.91Å; N13-E101 VanDerWaalsContact CB-OE1 3.29Å; N13-E101 WeakPolarHBondContact CB-OE1 3.46Å; N13-E101 PolarHBondContact ND2-OE1 2.82Å; R18-E101 IonicContact CZ-OE1 3.14Å; R18-E101 IonicContact NE-OE1 2.74Å; R18-E101 PolarHBondContact NE-OE1 3.42Å; R18-E101 IonicContact NE-OE2 3.91Å; R18-E101 IonicContact NH2-OE1 2.86Å; R18-E101 IonicContact NH2-OE2 3.91Å |
| 102 | F | 91.3 | Very high | 73.2 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.2 | 175.6 | -63 | -86.1 | 0 | 0 | 0 | 110.6 | V10 I11 L12 N13 L37 R100 F104 | V10-F102 HydrophobicContact CG1-CD2 3.67Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å; I11-F102 PolarHBondContact O-N 3.25Å; L12-F102 CarbonylContact C-O 3.49Å; L12-F102 HydrophobicContact CD2-CB 4.04Å; L12-F102 HydrophobicContact CD2-CD2 4.07Å; L12-F102 HydrophobicContact CD2-CG 4.44Å; N13-F102 PolarHBondContact N-O 3.45Å; L37-F102 HydrophobicContact CD2-CD1 4.19Å; L37-F102 HydrophobicContact CD2-CE1 4.29Å; R100-F102 HydrophobicContact CB-CE2 4.21Å; R100-F102 HydrophobicContact CB-CZ 4.48Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.48Å |
| 103 | F | 94 | Very high | 76.4 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134 | -178.9 | 178.6 | -103.7 | 0 | 0 | 0 | 113.2 | N13 D105 | N13-F103 HydrophobicContact CB-CD2 4.2Å; N13-F103 CarbonylContact O-C 3.37Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.41Å; F103-D105 HydrophobicContact CE1-CB 3.99Å; F103-D105 HydrophobicContact CZ-CB 4.12Å |
| 104 | F | 95.8 | Very high | 79.5 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.6 | 173.3 | -63.8 | -83.3 | 0 | 0 | 0 | 110.6 | L12 N13 V14 G15 L37 F102 R106 F140 W141 | L12-F104 HydrophobicContact CD2-CE2 4.28Å; N13-F104 PolarHBondContact O-N 3.12Å; V14-F104 CarbonylContact C-O 3.6Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.11Å; V14-F104 HydrophobicContact CG2-CB 4.3Å; V14-F104 HydrophobicContact CG2-CD2 4.46Å; G15-F104 PolarHBondContact N-O 3.17Å; L37-F104 HydrophobicContact CD1-CE1 4.32Å; L37-F104 HydrophobicContact CD1-CE2 3.85Å; L37-F104 HydrophobicContact CD1-CZ 3.32Å; L37-F104 HydrophobicContact CD2-CZ 4.29Å; L37-F104 HydrophobicContact CG-CZ 4.41Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.48Å; F104-R106 HydrophobicContact CB-CG 4.26Å; F104-R106 PolarHBondContact O-N 3.31Å; F104-F140 HydrophobicContact CD1-CE1 4.32Å; F104-F140 HydrophobicContact CD1-CZ 4.26Å; F104-W141 HydrophobicContact CB-CH2 3.73Å; F104-W141 HydrophobicContact CB-CZ2 4.4Å; F104-W141 AromaticContact CD1-CH2 3.82Å; F104-W141 HydrophobicContact CD1-CH2 3.82Å; F104-W141 AromaticContact CD1-CZ3 3.92Å; F104-W141 HydrophobicContact CD1-CZ3 3.92Å; F104-W141 AromaticContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CZ3 4.22Å; F104-W141 HydrophobicContact CE1-CZ3 4.19Å; F104-W141 HydrophobicContact CE2-CZ3 4.46Å; F104-W141 AromaticContact CG-CH2 3.5Å; F104-W141 HydrophobicContact CG-CH2 3.5Å; F104-W141 AromaticContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CZ-CZ3 4.49Å |
| 105 | D | 96 | Very high | 82.4 | Confident | 135 Ų | 135 | 55.6 Ų | 55.6 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | trans | -82.4 | 68.3 | 176.6 | -169.4 | 22.8 | 0 | 0 | 0 | 111.3 | F103 | F103-D105 HydrophobicContact CE1-CB 3.99Å; F103-D105 HydrophobicContact CZ-CB 4.12Å | ||
| 106 | R | 96.7 | Very high | 85.2 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -133.1 | 172.6 | -176.1 | -56.7 | -59.2 | -58.8 | -174.2 | 0 | 111.2 | V14 G15 F104 P108 E137 F140 W141 | V14-R106 HydrophobicContact CG1-CB 3.93Å; G15-R106 PolarHBondContact N-O 2.97Å; F104-R106 HydrophobicContact CB-CG 4.26Å; F104-R106 PolarHBondContact O-N 3.31Å; R106-P108 VanDerWaalsContact O-CD 3.23Å; R106-P108 WeakPolarHBondContact O-CD 3.24Å; R106-E137 IonicContact CZ-OE1 3.56Å; R106-E137 VanDerWaalsContact CZ-OE1 3.32Å; R106-E137 IonicContact NE-OE1 3.21Å; R106-E137 PolarHBondContact NE-OE1 3.31Å; R106-E137 IonicContact NE-OE2 2.77Å; R106-E137 PolarHBondContact NE-OE2 2.77Å; R106-E137 IonicContact NH2-OE1 3.82Å; R106-E137 PolarHBondContact NH2-OE1 3.21Å; R106-E137 IonicContact NH2-OE2 2.97Å; R106-F140 HydrophobicContact CG-CD1 3.77Å; R106-F140 HydrophobicContact CG-CE1 3.41Å; R106-F140 VanDerWaalsContact CG-CE1 3.41Å; R106-F140 HydrophobicContact CG-CE2 4.41Å; R106-F140 HydrophobicContact CG-CG 4.44Å; R106-F140 HydrophobicContact CG-CZ 3.76Å; R106-W141 HydrophobicContact CB-CZ2 4.01Å; R106-W141 HydrophobicContact CG-CZ2 3.95Å |
| 107 | H | 96.3 | Very high | 88.1 | Confident | 78 Ų | 78 | 46 Ų | 46 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | trans | -70.5 | 112.7 | -178.4 | -169 | -51.9 | 0 | 0 | 0 | 112 | G109 V110 F111 | H107-G109 PolarHBondContact ND1-N 3.11Å; H107-G109 PolarHBondContact O-N 2.96Å; H107-V110 PolarHBondContact ND1-N 3.34Å; H107-F111 PolarHBondContact O-N 3.39Å | ||
| 108 | P | 96.6 | Very high | 90.7 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | -175.8 | 22.1 | -30.8 | 0 | 0 | 0 | 114 | V14 T17 R106 V110 F111 A112 | V14-P108 WeakPolarHBondContact O-CB 3.49Å; T17-P108 HydrophobicContact CG2-CB 4.37Å; T17-P108 WeakPolarHBondContact OG1-CB 3.4Å; R106-P108 VanDerWaalsContact O-CD 3.23Å; R106-P108 WeakPolarHBondContact O-CD 3.24Å; P108-V110 PolarHBondContact O-N 3.38Å; P108-F111 WeakPolarHBondContact O-CB 3.42Å; P108-F111 PolarHBondContact O-N 3.23Å; P108-A112 PolarHBondContact O-N 2.72Å |
| 109 | G | 95.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.5 | -49 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H107 A112 | H107-G109 PolarHBondContact ND1-N 3.11Å; H107-G109 PolarHBondContact O-N 2.96Å; G109-A112 WeakPolarHBondContact O-CB 3.47Å; G109-A112 PolarHBondContact O-N 3.47Å |
| 110 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | H107 P108 A112 Y113 V114 V129 F134 E137 | H107-V110 PolarHBondContact ND1-N 3.34Å; P108-V110 PolarHBondContact O-N 3.38Å; V110-A112 PolarHBondContact O-N 2.85Å; V110-A112 VanDerWaalsContact O-N 3.16Å; V110-Y113 WeakPolarHBondContact O-CB 3.44Å; V110-Y113 PolarHBondContact O-N 3.35Å; V110-V114 HydrophobicContact CG1-CG2 4.37Å; V110-V114 PolarHBondContact O-N 3.09Å; V110-V129 HydrophobicContact CG2-CG1 4.2Å; V110-V129 HydrophobicContact CG2-CG2 4.41Å; V110-F134 HydrophobicContact CG1-CD2 3.47Å; V110-F134 VanDerWaalsContact CG1-CD2 3.47Å; V110-F134 HydrophobicContact CG1-CE2 3.73Å; V110-E137 HydrophobicContact CB-CB 4.44Å; V110-E137 HydrophobicContact CB-CG 4.11Å; V110-E137 HydrophobicContact CG1-CB 3.56Å; V110-E137 HydrophobicContact CG1-CG 3.77Å; V110-E137 HydrophobicContact CG2-CG 4.39Å |
| 111 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -28.9 | 179.4 | -176.4 | -102.4 | 0 | 0 | 0 | 113.4 | L12 V14 H19 L34 H107 P108 Y113 V114 L115 W141 | L12-F111 HydrophobicContact CB-CE1 4.28Å; L12-F111 HydrophobicContact CB-CZ 4.3Å; L12-F111 HydrophobicContact CD1-CE1 4.21Å; L12-F111 HydrophobicContact CD1-CZ 3.64Å; V14-F111 HydrophobicContact CB-CB 4.35Å; V14-F111 HydrophobicContact CB-CD1 4.09Å; V14-F111 HydrophobicContact CB-CG 4.16Å; V14-F111 HydrophobicContact CG1-CB 3.9Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CG 4.07Å; V14-F111 HydrophobicContact CG2-CB 4.39Å; V14-F111 HydrophobicContact CG2-CD1 3.47Å; V14-F111 VanDerWaalsContact CG2-CD1 3.47Å; V14-F111 HydrophobicContact CG2-CD2 4.05Å; V14-F111 HydrophobicContact CG2-CE1 3.65Å; V14-F111 HydrophobicContact CG2-CE2 4.19Å; V14-F111 HydrophobicContact CG2-CG 3.68Å; V14-F111 HydrophobicContact CG2-CZ 4.01Å; H19-F111 HydrophobicContact CB-CD1 4.33Å; H19-F111 HydrophobicContact CB-CE1 3.85Å; H19-F111 AromaticContact CD2-CD1 3.57Å; H19-F111 AromaticContact CD2-CE1 3.92Å; H19-F111 AromaticContact CE1-CD1 3.84Å; H19-F111 AromaticContact CG-CD1 3.68Å; H19-F111 AromaticContact CG-CE1 3.72Å; H19-F111 AromaticContact ND1-CD1 3.84Å; H19-F111 AromaticContact NE2-CD1 3.7Å; L34-F111 HydrophobicContact CD1-CE2 3.93Å; L34-F111 HydrophobicContact CD1-CZ 4.12Å; L34-F111 HydrophobicContact CD2-CE2 4.39Å; H107-F111 PolarHBondContact O-N 3.39Å; P108-F111 WeakPolarHBondContact O-CB 3.42Å; P108-F111 PolarHBondContact O-N 3.23Å; F111-Y113 PolarHBondContact O-N 3.34Å; F111-V114 HydrophobicContact CD2-CB 4.16Å; F111-V114 HydrophobicContact CD2-CG1 4.06Å; F111-V114 HydrophobicContact CE2-CG1 4.12Å; F111-V114 WeakPolarHBondContact O-CB 3.02Å; F111-V114 PolarHBondContact O-N 2.94Å; F111-L115 HydrophobicContact CE1-CB 4.14Å; F111-L115 HydrophobicContact CE1-CD2 4.19Å; F111-L115 HydrophobicContact CZ-CB 4.33Å; F111-L115 WeakPolarHBondContact O-CB 3.47Å; F111-L115 PolarHBondContact O-N 2.97Å; F111-W141 HydrophobicContact CD2-CD2 4.13Å; F111-W141 AromaticContact CD2-CE2 3.49Å; F111-W141 VanDerWaalsContact CD2-CE2 3.49Å; F111-W141 AromaticContact CD2-CH2 3.71Å; F111-W141 HydrophobicContact CD2-CH2 3.71Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.32Å; F111-W141 AromaticContact CD2-NE1 3.94Å; F111-W141 HydrophobicContact CE2-CD2 4.18Å; F111-W141 AromaticContact CE2-CE2 3.94Å; F111-W141 HydrophobicContact CE2-CE3 4.13Å; F111-W141 AromaticContact CE2-CH2 3.57Å; F111-W141 HydrophobicContact CE2-CH2 3.57Å; F111-W141 AromaticContact CE2-CZ2 3.65Å; F111-W141 HydrophobicContact CE2-CZ2 3.65Å; F111-W141 AromaticContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CG-CZ2 4.19Å |
| 112 | A | 97.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 50 Ų | 50 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -38.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P108 G109 V110 N116 | P108-A112 PolarHBondContact O-N 2.72Å; G109-A112 WeakPolarHBondContact O-CB 3.47Å; G109-A112 PolarHBondContact O-N 3.47Å; V110-A112 PolarHBondContact O-N 2.85Å; V110-A112 VanDerWaalsContact O-N 3.16Å; A112-N116 VanDerWaalsContact O-CB 3.31Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.1Å |
| 113 | Y | 97 | Very high | 96.6 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74.4 | -41.6 | 177.3 | -71.2 | -101.7 | 0 | 0 | 0 | 111.9 | V110 F111 L115 N116 Y117 P126 | V110-Y113 WeakPolarHBondContact O-CB 3.44Å; V110-Y113 PolarHBondContact O-N 3.35Å; F111-Y113 PolarHBondContact O-N 3.34Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 2.83Å; Y113-N116 WeakPolarHBondContact O-CB 3.44Å; Y113-N116 PolarHBondContact O-N 3.12Å; Y113-Y117 PolarHBondContact O-N 3.49Å; Y113-P126 HydrophobicContact CD1-CB 4.24Å; Y113-P126 HydrophobicContact CD1-CG 4.22Å; Y113-P126 HydrophobicContact CD2-CB 3.97Å; Y113-P126 HydrophobicContact CD2-CG 3.93Å; Y113-P126 HydrophobicContact CE1-CB 3.96Å; Y113-P126 HydrophobicContact CE1-CG 4.44Å; Y113-P126 HydrophobicContact CE2-CB 3.69Å; Y113-P126 HydrophobicContact CE2-CG 4.19Å; Y113-P126 HydrophobicContact CG-CB 4.26Å; Y113-P126 HydrophobicContact CG-CG 3.97Å |
| 114 | V | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.8 | -52.7 | 171.5 | 171.3 | 0 | 0 | 0 | 0 | 109.6 | L34 V110 F111 N116 Y117 Y118 L138 W141 I143 | L34-V114 HydrophobicContact CD1-CG1 4.48Å; V110-V114 HydrophobicContact CG1-CG2 4.37Å; V110-V114 PolarHBondContact O-N 3.09Å; F111-V114 HydrophobicContact CD2-CB 4.16Å; F111-V114 HydrophobicContact CD2-CG1 4.06Å; F111-V114 HydrophobicContact CE2-CG1 4.12Å; F111-V114 WeakPolarHBondContact O-CB 3.02Å; F111-V114 PolarHBondContact O-N 2.94Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.86Å; V114-Y117 VanDerWaalsContact O-CB 3.32Å; V114-Y117 WeakPolarHBondContact O-CB 3.37Å; V114-Y117 PolarHBondContact O-N 2.7Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; V114-Y118 HydrophobicContact CG1-CE2 4.32Å; V114-Y118 VanDerWaalsContact O-CD2 3.3Å; V114-Y118 WeakPolarHBondContact O-CD2 3.33Å; V114-Y118 PolarHBondContact O-N 2.82Å; V114-L138 HydrophobicContact CG2-CD2 4.31Å; V114-W141 HydrophobicContact CG1-CB 4.14Å; V114-W141 HydrophobicContact CG1-CD2 4.3Å; V114-W141 HydrophobicContact CG1-CG 3.86Å; V114-W141 HydrophobicContact CG2-CG 4.39Å; V114-I143 HydrophobicContact CB-CD1 4.3Å; V114-I143 HydrophobicContact CG1-CD1 3.56Å; V114-I143 HydrophobicContact CG2-CD1 4.37Å |
| 115 | L | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 179.9 | -174.5 | 61.4 | 0 | 0 | 0 | 112.5 | H19 T21 L26 F111 Y113 Y117 Y118 R119 | H19-L115 HydrophobicContact CB-CD2 3.86Å; T21-L115 HydrophobicContact CG2-CD1 4.08Å; L26-L115 HydrophobicContact CD2-CD1 3.97Å; F111-L115 HydrophobicContact CE1-CB 4.14Å; F111-L115 HydrophobicContact CE1-CD2 4.19Å; F111-L115 HydrophobicContact CZ-CB 4.33Å; F111-L115 WeakPolarHBondContact O-CB 3.47Å; F111-L115 PolarHBondContact O-N 2.97Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 2.83Å; L115-Y117 VanDerWaalsContact C-N 3.26Å; L115-Y117 PolarHBondContact O-N 2.73Å; L115-Y118 PolarHBondContact O-N 3.09Å; L115-R119 WeakPolarHBondContact O-CG 3.33Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 VanDerWaalsContact O-N 3.16Å |
| 116 | N | 96.8 | Very high | 96.8 | Very high | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -33.3 | 174 | -170.1 | 61.7 | 0 | 0 | 0 | 112.2 | A112 Y113 V114 R119 T120 | A112-N116 VanDerWaalsContact O-CB 3.31Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.1Å; Y113-N116 WeakPolarHBondContact O-CB 3.44Å; Y113-N116 PolarHBondContact O-N 3.12Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.86Å; N116-R119 PolarHBondContact O-N 3.35Å; N116-R119 VanDerWaalsContact O-N 3.17Å; N116-T120 WeakPolarHBondContact O-CB 3.43Å; N116-T120 WeakPolarHBondContact O-CG2 3.49Å; N116-T120 PolarHBondContact O-N 2.85Å; N116-T120 PolarHBondContact O-OG1 3.46Å |
| 117 | Y | 97.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 173.1 | 175.3 | -134 | 0 | 0 | 0 | 111.7 | L29 Y113 V114 L115 R119 T120 G121 K122 L123 I143 D147 | L29-Y117 HydrophobicContact CD1-CD1 3.39Å; L29-Y117 HydrophobicContact CD1-CE1 3.23Å; L29-Y117 HydrophobicContact CD1-CE2 4.47Å; L29-Y117 HydrophobicContact CD1-CG 4.1Å; L29-Y117 HydrophobicContact CD2-CE1 4.17Å; L29-Y117 HydrophobicContact CG-CE1 4.33Å; Y113-Y117 PolarHBondContact O-N 3.49Å; V114-Y117 VanDerWaalsContact O-CB 3.32Å; V114-Y117 WeakPolarHBondContact O-CB 3.37Å; V114-Y117 PolarHBondContact O-N 2.7Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; L115-Y117 VanDerWaalsContact C-N 3.26Å; L115-Y117 PolarHBondContact O-N 2.73Å; Y117-R119 VanDerWaalsContact C-N 3.26Å; Y117-R119 PolarHBondContact O-N 3.48Å; Y117-T120 PolarHBondContact O-N 3.22Å; Y117-G121 WeakPolarHBondContact CE2-O 3.21Å; Y117-G121 VanDerWaalsContact O-CA 3.29Å; Y117-G121 WeakPolarHBondContact O-CA 3.35Å; Y117-G121 PolarHBondContact O-N 2.78Å; Y117-K122 VanDerWaalsContact CD2-C 3.42Å; Y117-L123 HydrophobicContact CD1-CB 4.37Å; Y117-L123 HydrophobicContact CD1-CD1 4.16Å; Y117-L123 HydrophobicContact CD2-CB 3.68Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.88Å; Y117-L123 HydrophobicContact CG-CD1 3.94Å; Y117-L123 HydrophobicContact CG-CG 4.45Å; Y117-I143 HydrophobicContact CD1-CD1 4.09Å; Y117-I143 HydrophobicContact CD1-CG1 4.48Å; Y117-I143 HydrophobicContact CD1-CG2 4.05Å; Y117-I143 HydrophobicContact CE1-CG2 3.82Å; Y117-D147 PolarHBondContact OH-OD2 3.24Å; Y117-D147 VanDerWaalsContact OH-OD2 3.07Å |
| 118 | Y | 96.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 47 Ų | 47 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -33 | 173.7 | -73.8 | -102.6 | 0 | 0 | 0 | 113.3 | T25 L26 T28 L29 T32 L34 V114 L115 I143 | T25-Y118 WeakPolarHBondContact O-CD1 3.47Å; L26-Y118 HydrophobicContact CD2-CD1 4.41Å; L26-Y118 WeakPolarHBondContact O-CE1 3.34Å; T28-Y118 PolarHBondContact OG1-O 3.28Å; L29-Y118 HydrophobicContact CB-CD1 4.05Å; L29-Y118 HydrophobicContact CB-CE1 3.69Å; L29-Y118 HydrophobicContact CD1-CD1 3.82Å; L29-Y118 HydrophobicContact CD1-CD2 3.93Å; L29-Y118 HydrophobicContact CD1-CE1 3.91Å; L29-Y118 HydrophobicContact CD1-CE2 3.95Å; L29-Y118 HydrophobicContact CD1-CG 3.84Å; L29-Y118 HydrophobicContact CG-CD1 4.11Å; L29-Y118 HydrophobicContact CG-CE1 4.2Å; T32-Y118 WeakPolarHBondContact CB-OH 3.39Å; T32-Y118 WeakPolarHBondContact CG2-OH 3.09Å; T32-Y118 PolarHBondContact OG1-OH 3.16Å; L34-Y118 HydrophobicContact CB-CE1 4.01Å; L34-Y118 HydrophobicContact CD1-CD2 4.18Å; L34-Y118 HydrophobicContact CD1-CE1 4.45Å; L34-Y118 HydrophobicContact CD1-CE2 3.67Å; L34-Y118 HydrophobicContact CG-CE2 4.47Å; V114-Y118 HydrophobicContact CG1-CE2 4.32Å; V114-Y118 VanDerWaalsContact O-CD2 3.3Å; V114-Y118 WeakPolarHBondContact O-CD2 3.33Å; V114-Y118 PolarHBondContact O-N 2.82Å; L115-Y118 PolarHBondContact O-N 3.09Å; Y118-I143 HydrophobicContact CE2-CD1 4.14Å |
| 119 | R | 97 | Very high | 96.5 | Very high | 132 Ų | 132 | 46.7 Ų | 46.7 | 50% | 0.498 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -76.6 | -36.5 | -178.6 | -71.8 | 169.9 | 174.6 | 173.5 | -3.8 | 113.1 | E20 T25 L115 N116 Y117 | E20-R119 PolarHBondContact O-NH2 3.26Å; T25-R119 HydrophobicContact CG2-CB 4.48Å; T25-R119 HydrophobicContact CG2-CG 3.74Å; L115-R119 WeakPolarHBondContact O-CG 3.33Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 VanDerWaalsContact O-N 3.16Å; N116-R119 PolarHBondContact O-N 3.35Å; N116-R119 VanDerWaalsContact O-N 3.17Å; Y117-R119 VanDerWaalsContact C-N 3.26Å; Y117-R119 PolarHBondContact O-N 3.48Å |
| 120 | T | 96.7 | Very high | 96.5 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -111.6 | -21.3 | -169.2 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | N116 Y117 K122 | N116-T120 WeakPolarHBondContact O-CB 3.43Å; N116-T120 WeakPolarHBondContact O-CG2 3.49Å; N116-T120 PolarHBondContact O-N 2.85Å; N116-T120 PolarHBondContact O-OG1 3.46Å; Y117-T120 PolarHBondContact O-N 3.22Å; T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.38Å |
| 121 | G | 95.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 50 Ų | 50 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 77 | 6.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y117 | Y117-G121 WeakPolarHBondContact CE2-O 3.21Å; Y117-G121 VanDerWaalsContact O-CA 3.29Å; Y117-G121 WeakPolarHBondContact O-CA 3.35Å; Y117-G121 PolarHBondContact O-N 2.78Å |
| 122 | K | 97.2 | Very high | 96.3 | Very high | 114 Ų | 114 | 52 Ų | 52 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | trans | -123.8 | 126.3 | -179.7 | -59.8 | -173.4 | -179.6 | -177.2 | 0 | 111.8 | Y117 T120 E149 | Y117-K122 VanDerWaalsContact CD2-C 3.42Å; T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.38Å; K122-E149 HydrophobicContact CB-CG 4.11Å; K122-E149 WeakPolarHBondContact CG-OE1 3.19Å | ||
| 123 | L | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -97.9 | 119.6 | -178 | -175.8 | 65 | 0 | 0 | 0 | 110.1 | Y117 F134 L138 I143 D147 V148 E149 | Y117-L123 HydrophobicContact CD1-CB 4.37Å; Y117-L123 HydrophobicContact CD1-CD1 4.16Å; Y117-L123 HydrophobicContact CD2-CB 3.68Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.88Å; Y117-L123 HydrophobicContact CG-CD1 3.94Å; Y117-L123 HydrophobicContact CG-CG 4.45Å; L123-F134 HydrophobicContact CD1-CZ 4.11Å; L123-L138 HydrophobicContact CD1-CD2 4.12Å; L123-L138 HydrophobicContact CD2-CD1 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.14Å; L123-I143 HydrophobicContact CD2-CG2 3.79Å; L123-D147 HydrophobicContact CD2-CB 4.14Å; L123-V148 HydrophobicContact CD2-CG2 3.65Å; L123-V148 HydrophobicContact CG-CG2 4Å; L123-V148 WeakPolarHBondContact O-CA 3.28Å; L123-E149 WeakPolarHBondContact O-CG 3.36Å; L123-E149 PolarHBondContact O-N 3.4Å |
| 124 | H | 97.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | trans | -116.1 | 144 | 177.4 | -71 | -73 | 0 | 0 | 0 | 110.8 | C151 | H124-C151 VanDerWaalsContact CE1-SG 3.54Š| ||
| 125 | C | 96.2 | Very high | 96.1 | Very high | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | trans | -79.4 | 126.9 | 174.5 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | F134 C152 | C125-F134 HydrophobicContact CB-CD1 4.37Å; C125-F134 HydrophobicContact CB-CE1 4.3Å; C125-C152 HydrophobicContact CB-CB 3.74Å | ||
| 126 | P | 95.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | trans | -60.2 | 134.9 | 167 | 8.2 | -9.9 | 0 | 0 | 0 | 111 | Y113 D128 V129 F134 | Y113-P126 HydrophobicContact CD1-CB 4.24Å; Y113-P126 HydrophobicContact CD1-CG 4.22Å; Y113-P126 HydrophobicContact CD2-CB 3.97Å; Y113-P126 HydrophobicContact CD2-CG 3.93Å; Y113-P126 HydrophobicContact CE1-CB 3.96Å; Y113-P126 HydrophobicContact CE1-CG 4.44Å; Y113-P126 HydrophobicContact CE2-CB 3.69Å; Y113-P126 HydrophobicContact CE2-CG 4.19Å; Y113-P126 HydrophobicContact CG-CB 4.26Å; Y113-P126 HydrophobicContact CG-CG 3.97Å; P126-D128 WeakPolarHBondContact CB-OD1 3.43Å; P126-V129 HydrophobicContact CB-CG2 3.87Å; P126-V129 HydrophobicContact CG-CG2 3.59Å; P126-F134 VanDerWaalsContact CD-CE2 3.5Å; P126-F134 HydrophobicContact CG-CD2 3.78Å; P126-F134 HydrophobicContact CG-CE2 3.92Å; P126-F134 HydrophobicContact CG-CG 4.36Å | ||
| 127 | A | 94.1 | Very high | 96.1 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 87% | 0.868 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 128 | D | 94.9 | Very high | 96 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4 | -178.5 | 60.9 | -45.2 | 0 | 0 | 0 | 113.4 | P126 | P126-D128 WeakPolarHBondContact CB-OD1 3.43Š|
| 129 | V | 95.3 | Very high | 96 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 17% | 0.17 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -123.6 | 155.9 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | V110 P126 L133 F134 | V110-V129 HydrophobicContact CG2-CG1 4.2Å; V110-V129 HydrophobicContact CG2-CG2 4.41Å; P126-V129 HydrophobicContact CB-CG2 3.87Å; P126-V129 HydrophobicContact CG-CG2 3.59Å; V129-L133 HydrophobicContact CB-CD2 4.21Å; V129-L133 HydrophobicContact CG1-CD2 4.41Å; V129-F134 HydrophobicContact CG2-CB 4.23Å |
| 130 | C | 94.7 | Very high | 96 | Very high | 95 Ų | 95 | 52.8 Ų | 52.8 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | trans | -72.9 | 143 | 175 | -57.1 | 0 | 0 | 0 | 0 | 111 | L133 F134 | C130-L133 WeakPolarHBondContact O-CB 3.41Å; C130-L133 PolarHBondContact O-N 3.06Å; C130-F134 PolarHBondContact O-N 3.25Å | ||
| 131 | G | 94.6 | Very high | 96 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -46.9 | -50.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L133 F134 E135 | G131-L133 VanDerWaalsContact C-N 3.3Å; G131-L133 PolarHBondContact O-N 2.85Å; G131-F134 WeakPolarHBondContact O-CB 3.17Å; G131-F134 PolarHBondContact O-N 3.11Å; G131-E135 PolarHBondContact O-N 3.4Å |
| 132 | P | 94.7 | Very high | 95.9 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -33.3 | 178.8 | -27.3 | 35.6 | 0 | 0 | 0 | 114.7 | E136 H159 | P132-E136 WeakPolarHBondContact O-CG 3.35Å; P132-E136 PolarHBondContact O-N 2.78Å; P132-H159 HydrophobicContact CG-CB 4.14Å |
| 133 | L | 96.1 | Very high | 95.9 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.6 | 175.5 | 63.5 | 0 | 0 | 0 | 110.7 | V129 C130 G131 E137 | V129-L133 HydrophobicContact CB-CD2 4.21Å; V129-L133 HydrophobicContact CG1-CD2 4.41Å; C130-L133 WeakPolarHBondContact O-CB 3.41Å; C130-L133 PolarHBondContact O-N 3.06Å; G131-L133 VanDerWaalsContact C-N 3.3Å; G131-L133 PolarHBondContact O-N 2.85Å; L133-E137 PolarHBondContact O-N 2.95Å |
| 134 | F | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 177 | -171.9 | -122.9 | 0 | 0 | 0 | 111.4 | V110 L123 C125 P126 V129 C130 G131 E136 E137 L138 V148 Y156 | V110-F134 HydrophobicContact CG1-CD2 3.47Å; V110-F134 VanDerWaalsContact CG1-CD2 3.47Å; V110-F134 HydrophobicContact CG1-CE2 3.73Å; L123-F134 HydrophobicContact CD1-CZ 4.11Å; C125-F134 HydrophobicContact CB-CD1 4.37Å; C125-F134 HydrophobicContact CB-CE1 4.3Å; P126-F134 VanDerWaalsContact CD-CE2 3.5Å; P126-F134 HydrophobicContact CG-CD2 3.78Å; P126-F134 HydrophobicContact CG-CE2 3.92Å; P126-F134 HydrophobicContact CG-CG 4.36Å; V129-F134 HydrophobicContact CG2-CB 4.23Å; C130-F134 PolarHBondContact O-N 3.25Å; G131-F134 WeakPolarHBondContact O-CB 3.17Å; G131-F134 PolarHBondContact O-N 3.11Å; F134-E136 PolarHBondContact O-N 3.27Å; F134-E137 PolarHBondContact O-N 3.21Å; F134-L138 HydrophobicContact CD1-CD1 3.91Å; F134-L138 HydrophobicContact CD1-CG 4.3Å; F134-L138 HydrophobicContact CE1-CD1 3.62Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.07Å; F134-L138 HydrophobicContact CE2-CD2 4.1Å; F134-L138 HydrophobicContact CE2-CG 4.33Å; F134-L138 HydrophobicContact CZ-CD1 4.08Å; F134-L138 HydrophobicContact CZ-CD2 3.81Å; F134-L138 HydrophobicContact CZ-CG 4.09Å; F134-L138 WeakPolarHBondContact O-CG 3.22Å; F134-L138 PolarHBondContact O-N 3.28Å; F134-V148 HydrophobicContact CE1-CG2 4.34Å; F134-Y156 HydrophobicContact CB-CE2 4.39Å; F134-Y156 AromaticContact CD1-CD2 3.77Å; F134-Y156 HydrophobicContact CD1-CD2 3.77Å; F134-Y156 AromaticContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CG-CE2 4.5Å |
| 135 | E | 95.7 | Very high | 95.6 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 174.3 | -177.7 | 178 | 164.1 | 0 | 0 | 112 | G131 E137 L138 A139 Y156 R160 | G131-E135 PolarHBondContact O-N 3.4Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.3Å; E135-L138 PolarHBondContact O-N 3.24Å; E135-A139 WeakPolarHBondContact O-CB 3.27Å; E135-A139 PolarHBondContact O-N 3.26Å; E135-Y156 WeakPolarHBondContact CA-OH 3.47Å; E135-Y156 HydrophobicContact CB-CE2 4.07Å; E135-Y156 VanDerWaalsContact CB-OH 3.22Å; E135-Y156 WeakPolarHBondContact CB-OH 3.45Å; E135-Y156 WeakPolarHBondContact CG-OH 3.47Å; E135-R160 VanDerWaalsContact CD-NH1 3.34Å; E135-R160 IonicContact OE1-CZ 3.83Å; E135-R160 VanDerWaalsContact OE1-CZ 3.26Å; E135-R160 IonicContact OE1-NE 2.7Å; E135-R160 IonicContact OE1-NH1 3.15Å; E135-R160 PolarHBondContact OE1-NH1 3.29Å; E135-R160 WeakPolarHBondContact OE2-CD 3.44Å; E135-R160 IonicContact OE2-NH1 2.87Å |
| 136 | E | 95.9 | Very high | 95.5 | Very high | 130 Ų | 130 | 50.2 Ų | 50.2 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.5 | -37 | 177.1 | -75.9 | -177.7 | -175.8 | 0 | 0 | 112.7 | P132 F134 F140 | P132-E136 WeakPolarHBondContact O-CG 3.35Å; P132-E136 PolarHBondContact O-N 2.78Å; F134-E136 PolarHBondContact O-N 3.27Å; E136-F140 PolarHBondContact O-N 3.49Å; E136-F140 VanDerWaalsContact O-N 3.13Å |
| 137 | E | 97 | Very high | 95.5 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.6 | -45.7 | 175.2 | -73.6 | -62.8 | 132.8 | 0 | 0 | 112 | R106 V110 L133 F134 E135 A139 F140 W141 | R106-E137 IonicContact CZ-OE1 3.56Å; R106-E137 VanDerWaalsContact CZ-OE1 3.32Å; R106-E137 IonicContact NE-OE1 3.21Å; R106-E137 PolarHBondContact NE-OE1 3.31Å; R106-E137 IonicContact NE-OE2 2.77Å; R106-E137 PolarHBondContact NE-OE2 2.77Å; R106-E137 IonicContact NH2-OE1 3.82Å; R106-E137 PolarHBondContact NH2-OE1 3.21Å; R106-E137 IonicContact NH2-OE2 2.97Å; V110-E137 HydrophobicContact CB-CB 4.44Å; V110-E137 HydrophobicContact CB-CG 4.11Å; V110-E137 HydrophobicContact CG1-CB 3.56Å; V110-E137 HydrophobicContact CG1-CG 3.77Å; V110-E137 HydrophobicContact CG2-CG 4.39Å; L133-E137 PolarHBondContact O-N 2.95Å; F134-E137 PolarHBondContact O-N 3.21Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.3Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.47Å; E137-F140 WeakPolarHBondContact O-CB 3.49Å; E137-F140 PolarHBondContact O-N 3.49Å; E137-F140 VanDerWaalsContact O-N 3.11Å; E137-W141 PolarHBondContact O-N 3.43Å; E137-W141 PolarHBondContact OE2-NE1 3Å |
| 138 | L | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 176.4 | -67.5 | -178.9 | 0 | 0 | 0 | 111.5 | V114 L123 F134 E135 F140 W141 G142 I143 E145 V148 | V114-L138 HydrophobicContact CG2-CD2 4.31Å; L123-L138 HydrophobicContact CD1-CD2 4.12Å; L123-L138 HydrophobicContact CD2-CD1 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.14Å; F134-L138 HydrophobicContact CD1-CD1 3.91Å; F134-L138 HydrophobicContact CD1-CG 4.3Å; F134-L138 HydrophobicContact CE1-CD1 3.62Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.07Å; F134-L138 HydrophobicContact CE2-CD2 4.1Å; F134-L138 HydrophobicContact CE2-CG 4.33Å; F134-L138 HydrophobicContact CZ-CD1 4.08Å; F134-L138 HydrophobicContact CZ-CD2 3.81Å; F134-L138 HydrophobicContact CZ-CG 4.09Å; F134-L138 WeakPolarHBondContact O-CG 3.22Å; F134-L138 PolarHBondContact O-N 3.28Å; E135-L138 PolarHBondContact O-N 3.24Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.38Å; L138-W141 PolarHBondContact O-N 2.72Å; L138-W141 VanDerWaalsContact O-N 3.16Å; L138-G142 PolarHBondContact O-N 2.71Å; L138-I143 HydrophobicContact CB-CB 4.47Å; L138-I143 HydrophobicContact CD2-CB 4.1Å; L138-I143 HydrophobicContact CD2-CD1 4.16Å; L138-I143 HydrophobicContact CD2-CG2 4.04Å; L138-I143 PolarHBondContact O-N 3.28Å; L138-E145 HydrophobicContact CD1-CB 4.5Å; L138-V148 HydrophobicContact CD1-CG2 4.39Å |
| 139 | A | 96.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 60% | 0.603 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.2 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E135 E137 G142 | E135-A139 WeakPolarHBondContact O-CB 3.27Å; E135-A139 PolarHBondContact O-N 3.26Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.47Å; A139-G142 PolarHBondContact O-N 3.07Å |
| 140 | F | 96.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 49 Ų | 49 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.1 | 173 | -91.4 | 0 | 0 | 0 | 112.6 | R33 F104 R106 E136 E137 L138 G142 | R33-F140 PolarHBondContact NE-O 3.46Å; R33-F140 PolarHBondContact NH2-O 3.07Å; F104-F140 HydrophobicContact CD1-CE1 4.32Å; F104-F140 HydrophobicContact CD1-CZ 4.26Å; R106-F140 HydrophobicContact CG-CD1 3.77Å; R106-F140 HydrophobicContact CG-CE1 3.41Å; R106-F140 VanDerWaalsContact CG-CE1 3.41Å; R106-F140 HydrophobicContact CG-CE2 4.41Å; R106-F140 HydrophobicContact CG-CG 4.44Å; R106-F140 HydrophobicContact CG-CZ 3.76Å; E136-F140 PolarHBondContact O-N 3.49Å; E136-F140 VanDerWaalsContact O-N 3.13Å; E137-F140 WeakPolarHBondContact O-CB 3.49Å; E137-F140 PolarHBondContact O-N 3.49Å; E137-F140 VanDerWaalsContact O-N 3.11Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.38Å; F140-G142 PolarHBondContact O-N 3.23Å |
| 141 | W | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.4 | -10.5 | -179.2 | -66.2 | 112.5 | 0 | 0 | 0 | 113.7 | V14 R33 L34 F104 R106 F111 V114 E137 L138 I143 | V14-W141 HydrophobicContact CG1-CZ2 4.27Å; V14-W141 HydrophobicContact CG2-CH2 4.3Å; V14-W141 HydrophobicContact CG2-CZ2 4.49Å; R33-W141 WeakPolarHBondContact CB-O 3.42Å; R33-W141 PolarHBondContact N-O 3.4Å; L34-W141 HydrophobicContact CD2-CE3 3.91Å; L34-W141 HydrophobicContact CD2-CZ3 3.62Å; L34-W141 HydrophobicContact CG-CE3 4.12Å; L34-W141 HydrophobicContact CG-CZ3 4.34Å; F104-W141 HydrophobicContact CB-CH2 3.73Å; F104-W141 HydrophobicContact CB-CZ2 4.4Å; F104-W141 AromaticContact CD1-CH2 3.82Å; F104-W141 HydrophobicContact CD1-CH2 3.82Å; F104-W141 AromaticContact CD1-CZ3 3.92Å; F104-W141 HydrophobicContact CD1-CZ3 3.92Å; F104-W141 AromaticContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CZ3 4.22Å; F104-W141 HydrophobicContact CE1-CZ3 4.19Å; F104-W141 HydrophobicContact CE2-CZ3 4.46Å; F104-W141 AromaticContact CG-CH2 3.5Å; F104-W141 HydrophobicContact CG-CH2 3.5Å; F104-W141 AromaticContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CZ-CZ3 4.49Å; R106-W141 HydrophobicContact CB-CZ2 4.01Å; R106-W141 HydrophobicContact CG-CZ2 3.95Å; F111-W141 HydrophobicContact CD2-CD2 4.13Å; F111-W141 AromaticContact CD2-CE2 3.49Å; F111-W141 VanDerWaalsContact CD2-CE2 3.49Å; F111-W141 AromaticContact CD2-CH2 3.71Å; F111-W141 HydrophobicContact CD2-CH2 3.71Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.32Å; F111-W141 AromaticContact CD2-NE1 3.94Å; F111-W141 HydrophobicContact CE2-CD2 4.18Å; F111-W141 AromaticContact CE2-CE2 3.94Å; F111-W141 HydrophobicContact CE2-CE3 4.13Å; F111-W141 AromaticContact CE2-CH2 3.57Å; F111-W141 HydrophobicContact CE2-CH2 3.57Å; F111-W141 AromaticContact CE2-CZ2 3.65Å; F111-W141 HydrophobicContact CE2-CZ2 3.65Å; F111-W141 AromaticContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CG-CZ2 4.19Å; V114-W141 HydrophobicContact CG1-CB 4.14Å; V114-W141 HydrophobicContact CG1-CD2 4.3Å; V114-W141 HydrophobicContact CG1-CG 3.86Å; V114-W141 HydrophobicContact CG2-CG 4.39Å; E137-W141 PolarHBondContact O-N 3.43Å; E137-W141 PolarHBondContact OE2-NE1 3Å; L138-W141 PolarHBondContact O-N 2.72Å; L138-W141 VanDerWaalsContact O-N 3.16Å; W141-I143 HydrophobicContact CB-CD1 4.19Å; W141-I143 HydrophobicContact CB-CG1 4.32Å |
| 142 | G | 94.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 46% | 0.464 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 32.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L138 A139 F140 | L138-G142 PolarHBondContact O-N 2.71Å; A139-G142 PolarHBondContact O-N 3.07Å; F140-G142 PolarHBondContact O-N 3.23Å |
| 143 | I | 96 | Very high | 95.9 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | trans | -96 | 136.6 | 174 | -65.1 | 169.3 | 0 | 0 | 0 | 108.1 | V114 Y117 Y118 L123 L138 W141 E145 | V114-I143 HydrophobicContact CB-CD1 4.3Å; V114-I143 HydrophobicContact CG1-CD1 3.56Å; V114-I143 HydrophobicContact CG2-CD1 4.37Å; Y117-I143 HydrophobicContact CD1-CD1 4.09Å; Y117-I143 HydrophobicContact CD1-CG1 4.48Å; Y117-I143 HydrophobicContact CD1-CG2 4.05Å; Y117-I143 HydrophobicContact CE1-CG2 3.82Å; Y118-I143 HydrophobicContact CE2-CD1 4.14Å; L123-I143 HydrophobicContact CD2-CG2 3.79Å; L138-I143 HydrophobicContact CB-CB 4.47Å; L138-I143 HydrophobicContact CD2-CB 4.1Å; L138-I143 HydrophobicContact CD2-CD1 4.16Å; L138-I143 HydrophobicContact CD2-CG2 4.04Å; L138-I143 PolarHBondContact O-N 3.28Å; W141-I143 HydrophobicContact CB-CD1 4.19Å; W141-I143 HydrophobicContact CB-CG1 4.32Å; I143-E145 PolarHBondContact O-N 3.2Å | ||
| 144 | D | 94.7 | Very high | 95.8 | Very high | 91 Ų | 91 | 54.4 Ų | 54.4 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | trans | -71.2 | 129.3 | 175.9 | -157.5 | -28 | 0 | 0 | 0 | 110 | T146 D147 | D144-T146 PolarHBondContact O-N 3.11Å; D144-T146 PolarHBondContact OD1-N 3.4Å; D144-T146 PolarHBondContact OD1-OG1 3.38Å; D144-D147 WeakPolarHBondContact O-CB 3.38Å; D144-D147 PolarHBondContact O-N 3.02Å | ||
| 145 | E | 93.9 | Very high | 95.6 | Very high | 43 Ų | 43 | 59 Ų | 59 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -66 | -22.4 | 179.1 | 60 | 174.3 | 178.6 | 0 | 0 | 112.4 | L138 I143 D147 V148 W153 Y156 R160 | L138-E145 HydrophobicContact CD1-CB 4.5Å; I143-E145 PolarHBondContact O-N 3.2Å; E145-D147 PolarHBondContact O-N 2.87Å; E145-V148 WeakPolarHBondContact O-CG2 3.2Å; E145-V148 PolarHBondContact O-N 2.93Å; E145-W153 WeakPolarHBondContact O-CZ3 3.37Å; E145-Y156 HydrophobicContact CB-CE1 4.2Å; E145-Y156 WeakPolarHBondContact CB-OH 3.28Å; E145-Y156 PolarHBondContact OE2-OH 3.39Å; E145-R160 IonicContact OE1-CZ 3.64Å; E145-R160 IonicContact OE1-NH1 2.77Å; E145-R160 PolarHBondContact OE1-NH1 3.4Å; E145-R160 IonicContact OE2-NH1 3.98Å; E145-R160 PolarHBondContact OE2-NH1 3.5Å; E145-R160 VanDerWaalsContact OE2-NH1 3.13Å |
| 146 | T | 94.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 57 Ų | 57 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -72.2 | -10.3 | 178.5 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | D144 V148 | D144-T146 PolarHBondContact O-N 3.11Å; D144-T146 PolarHBondContact OD1-N 3.4Å; D144-T146 PolarHBondContact OD1-OG1 3.38Å; T146-V148 PolarHBondContact O-N 2.9Å |
| 147 | D | 95.5 | Very high | 95.5 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -78.3 | -6.1 | 178.1 | -66.6 | -24.9 | 0 | 0 | 0 | 112.9 | Y117 L123 D144 E145 E149 | Y117-D147 PolarHBondContact OH-OD2 3.24Å; Y117-D147 VanDerWaalsContact OH-OD2 3.07Å; L123-D147 HydrophobicContact CD2-CB 4.14Å; D144-D147 WeakPolarHBondContact O-CB 3.38Å; D144-D147 PolarHBondContact O-N 3.02Å; E145-D147 PolarHBondContact O-N 2.87Å; D147-E149 PolarHBondContact O-N 3.22Å |
| 148 | V | 96.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -63.4 | 128.3 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | L123 F134 L138 E145 T146 C152 W153 | L123-V148 HydrophobicContact CD2-CG2 3.65Å; L123-V148 HydrophobicContact CG-CG2 4Å; L123-V148 WeakPolarHBondContact O-CA 3.28Å; F134-V148 HydrophobicContact CE1-CG2 4.34Å; L138-V148 HydrophobicContact CD1-CG2 4.39Å; E145-V148 WeakPolarHBondContact O-CG2 3.2Å; E145-V148 PolarHBondContact O-N 2.93Å; T146-V148 PolarHBondContact O-N 2.9Å; V148-C152 HydrophobicContact CG1-CB 3.77Å; V148-W153 HydrophobicContact CB-CE3 4.19Å |
| 149 | E | 96.9 | Very high | 95 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | trans | -60.1 | 146.4 | -178.2 | -69.3 | -72.5 | 156.2 | 0 | 0 | 112.7 | K122 L123 D147 C151 C152 W153 | K122-E149 HydrophobicContact CB-CG 4.11Å; K122-E149 WeakPolarHBondContact CG-OE1 3.19Å; L123-E149 WeakPolarHBondContact O-CG 3.36Å; L123-E149 PolarHBondContact O-N 3.4Å; D147-E149 PolarHBondContact O-N 3.22Å; E149-C151 PolarHBondContact O-N 3.44Å; E149-C152 PolarHBondContact O-N 2.97Å; E149-W153 PolarHBondContact O-N 3.15Å; E149-W153 VanDerWaalsContact O-N 3.13Å | ||
| 150 | P | 96.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 61.3 Ų | 61.3 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -55.5 | -28.6 | -176.6 | -28.3 | 35 | 0 | 0 | 0 | 115.2 | C152 | P150-C152 PolarHBondContact O-N 3.16Å |
| 151 | C | 96.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 62 Ų | 62 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.8 | -21.2 | 177.9 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | H124 E149 | H124-C151 VanDerWaalsContact CE1-SG 3.54Å; E149-C151 PolarHBondContact O-N 3.44Å |
| 152 | C | 96.2 | Very high | 94 | Very high | 20 Ų | 20 | 62.4 Ų | 62.4 | 14% | 0.135 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -109.2 | -22.8 | -179.2 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | C125 V148 E149 P150 M154 T155 Y156 | C125-C152 HydrophobicContact CB-CB 3.74Å; V148-C152 HydrophobicContact CG1-CB 3.77Å; E149-C152 PolarHBondContact O-N 2.97Å; P150-C152 PolarHBondContact O-N 3.16Å; C152-M154 PolarHBondContact O-N 3.33Å; C152-T155 PolarHBondContact O-N 3.43Å; C152-T155 VanDerWaalsContact O-N 3.16Å; C152-Y156 WeakPolarHBondContact O-CB 3.42Å; C152-Y156 PolarHBondContact O-N 3.36Å |
| 153 | W | 96 | Very high | 93.7 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 24% | 0.242 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -51.9 | -48.8 | -172.3 | 180 | -99.6 | 0 | 0 | 0 | 113.8 | E145 V148 E149 T155 Y156 R157 | E145-W153 WeakPolarHBondContact O-CZ3 3.37Å; V148-W153 HydrophobicContact CB-CE3 4.19Å; E149-W153 PolarHBondContact O-N 3.15Å; E149-W153 VanDerWaalsContact O-N 3.13Å; W153-T155 VanDerWaalsContact C-N 3.31Å; W153-T155 PolarHBondContact O-N 3.04Å; W153-Y156 HydrophobicContact CE3-CD1 4.32Å; W153-Y156 HydrophobicContact CZ3-CD1 4.38Å; W153-Y156 HydrophobicContact CZ3-CE1 4.45Å; W153-Y156 PolarHBondContact O-N 2.97Å; W153-R157 WeakPolarHBondContact O-CB 3.32Å; W153-R157 PolarHBondContact O-N 3.07Å |
| 154 | M | 92.8 | Very high | 93.2 | Very high | 144 Ų | 144 | 66.7 Ų | 66.7 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.2 | -38.6 | -177 | -64 | -63.2 | -92.7 | 0 | 0 | 112.1 | C152 Q158 | C152-M154 PolarHBondContact O-N 3.33Å; M154-Q158 WeakPolarHBondContact O-CB 3.46Å; M154-Q158 PolarHBondContact O-N 2.91Å |
| 155 | T | 93.5 | Very high | 92.7 | Very high | 96 Ų | 96 | 63 Ų | 63 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -75.2 | -40.7 | 177.5 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | C152 W153 | C152-T155 PolarHBondContact O-N 3.43Å; C152-T155 VanDerWaalsContact O-N 3.16Å; W153-T155 VanDerWaalsContact C-N 3.31Å; W153-T155 PolarHBondContact O-N 3.04Å |
| 156 | Y | 95.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -50 | 177.2 | 168.3 | -109.5 | 0 | 0 | 0 | 111.4 | F134 E135 E145 C152 W153 | F134-Y156 HydrophobicContact CB-CE2 4.39Å; F134-Y156 AromaticContact CD1-CD2 3.77Å; F134-Y156 HydrophobicContact CD1-CD2 3.77Å; F134-Y156 AromaticContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CG-CE2 4.5Å; E135-Y156 WeakPolarHBondContact CA-OH 3.47Å; E135-Y156 HydrophobicContact CB-CE2 4.07Å; E135-Y156 VanDerWaalsContact CB-OH 3.22Å; E135-Y156 WeakPolarHBondContact CB-OH 3.45Å; E135-Y156 WeakPolarHBondContact CG-OH 3.47Å; E145-Y156 HydrophobicContact CB-CE1 4.2Å; E145-Y156 WeakPolarHBondContact CB-OH 3.28Å; E145-Y156 PolarHBondContact OE2-OH 3.39Å; C152-Y156 WeakPolarHBondContact O-CB 3.42Å; C152-Y156 PolarHBondContact O-N 3.36Å; W153-Y156 HydrophobicContact CE3-CD1 4.32Å; W153-Y156 HydrophobicContact CZ3-CD1 4.38Å; W153-Y156 HydrophobicContact CZ3-CE1 4.45Å; W153-Y156 PolarHBondContact O-N 2.97Å |
| 157 | R | 94.1 | Very high | 91 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 21% | 0.211 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -85.8 | -11.8 | -173.3 | -153.5 | 179.7 | 170.8 | 105.9 | 7.1 | 114.2 | W153 H159 R160 D161 | W153-R157 WeakPolarHBondContact O-CB 3.32Å; W153-R157 PolarHBondContact O-N 3.07Å; R157-H159 VanDerWaalsContact C-N 3.3Å; R157-H159 PolarHBondContact O-N 3.31Å; R157-H159 VanDerWaalsContact O-N 3.13Å; R157-R160 PolarHBondContact O-N 2.94Å; R157-D161 WeakPolarHBondContact CD-OD1 3.49Å; R157-D161 WeakPolarHBondContact CG-OD1 3.37Å; R157-D161 IonicContact CZ-OD1 3.8Å; R157-D161 IonicContact NE-OD1 4Å; R157-D161 PolarHBondContact NE-OD1 3.1Å; R157-D161 IonicContact NE-OD2 3.11Å; R157-D161 PolarHBondContact O-N 3Å |
| 158 | Q | 91.5 | Very high | 89.3 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -47 | -47.2 | -175.1 | -171.1 | 179.5 | 35.9 | 0 | 0 | 114 | M154 A162 M478 | M154-Q158 WeakPolarHBondContact O-CB 3.46Å; M154-Q158 PolarHBondContact O-N 2.91Å; Q158-A162 VanDerWaalsContact O-CB 3.29Å; Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.07Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; Q158-M478 HydrophobicContact CG-SD 3.77Å; Q158-M478 PolarHBondContact NE2-SD 3.48Å |
| 159 | H | 89.9 | Confident | 87.1 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.5 | -42.6 | -178.8 | -173.8 | -80 | 0 | 0 | 0 | 111.7 | P132 R157 A162 E163 | P132-H159 HydrophobicContact CG-CB 4.14Å; R157-H159 VanDerWaalsContact C-N 3.3Å; R157-H159 PolarHBondContact O-N 3.31Å; R157-H159 VanDerWaalsContact O-N 3.13Å; H159-A162 PolarHBondContact O-N 3.47Å; H159-E163 IonicContact CE1-OE2 3.74Å; H159-E163 IonicContact ND1-OE2 3.49Å; H159-E163 WeakPolarHBondContact O-CB 3.46Å; H159-E163 PolarHBondContact O-N 3.17Å |
| 160 | R | 91.2 | Very high | 85 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69 | -42.4 | -179 | -171.6 | 165.8 | 174.3 | -165.7 | -0.5 | 111.4 | E135 E145 R157 A162 E163 E164 | E135-R160 VanDerWaalsContact CD-NH1 3.34Å; E135-R160 IonicContact OE1-CZ 3.83Å; E135-R160 VanDerWaalsContact OE1-CZ 3.26Å; E135-R160 IonicContact OE1-NE 2.7Å; E135-R160 IonicContact OE1-NH1 3.15Å; E135-R160 PolarHBondContact OE1-NH1 3.29Å; E135-R160 WeakPolarHBondContact OE2-CD 3.44Å; E135-R160 IonicContact OE2-NH1 2.87Å; E145-R160 IonicContact OE1-CZ 3.64Å; E145-R160 IonicContact OE1-NH1 2.77Å; E145-R160 PolarHBondContact OE1-NH1 3.4Å; E145-R160 IonicContact OE2-NH1 3.98Å; E145-R160 PolarHBondContact OE2-NH1 3.5Å; E145-R160 VanDerWaalsContact OE2-NH1 3.13Å; R157-R160 PolarHBondContact O-N 2.94Å; R160-A162 VanDerWaalsContact C-N 3.29Å; R160-A162 PolarHBondContact O-N 3.19Å; R160-E163 PolarHBondContact O-N 3.38Å; R160-E164 HydrophobicContact CG-CG 4.44Å; R160-E164 IonicContact NE-OE1 3.17Å; R160-E164 PolarHBondContact NE-OE1 3.19Å; R160-E164 WeakPolarHBondContact O-CB 3.43Å; R160-E164 VanDerWaalsContact O-CG 3.31Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.19Å |
| 161 | D | 90.2 | Very high | 82.3 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 174.2 | -70.7 | -21.9 | 0 | 0 | 0 | 111.7 | R157 A165 | R157-D161 WeakPolarHBondContact CD-OD1 3.49Å; R157-D161 WeakPolarHBondContact CG-OD1 3.37Å; R157-D161 IonicContact CZ-OD1 3.8Å; R157-D161 IonicContact NE-OD1 4Å; R157-D161 PolarHBondContact NE-OD1 3.1Å; R157-D161 IonicContact NE-OD2 3.11Å; R157-D161 PolarHBondContact O-N 3Å; D161-A165 VanDerWaalsContact O-CB 3.25Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 3.18Å |
| 162 | A | 88.2 | Confident | 79.2 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q158 H159 R160 L166 Y479 L482 | Q158-A162 VanDerWaalsContact O-CB 3.29Å; Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.07Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; H159-A162 PolarHBondContact O-N 3.47Å; R160-A162 VanDerWaalsContact C-N 3.29Å; R160-A162 PolarHBondContact O-N 3.19Å; A162-L166 WeakPolarHBondContact O-CG 3.44Å; A162-L166 PolarHBondContact O-N 3.48Å; A162-Y479 HydrophobicContact CB-CD1 3.89Å; A162-Y479 HydrophobicContact CB-CE1 3.84Å; A162-L482 HydrophobicContact CB-CD2 3.7Å |
| 163 | E | 87.3 | Confident | 76.3 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.4 | -48.1 | 174.7 | -176.8 | 151.9 | -134.1 | 0 | 0 | 111.2 | H159 R160 A165 L166 D167 K486 | H159-E163 IonicContact CE1-OE2 3.74Å; H159-E163 IonicContact ND1-OE2 3.49Å; H159-E163 WeakPolarHBondContact O-CB 3.46Å; H159-E163 PolarHBondContact O-N 3.17Å; R160-E163 PolarHBondContact O-N 3.38Å; E163-A165 VanDerWaalsContact C-N 3.3Å; E163-A165 PolarHBondContact O-N 3.13Å; E163-L166 CarbonylContact O-C 3.52Å; E163-L166 PolarHBondContact O-N 3.37Å; E163-D167 WeakPolarHBondContact CG-OD2 3.38Å; E163-D167 VanDerWaalsContact O-CB 3.31Å; E163-D167 WeakPolarHBondContact O-CB 3.4Å; E163-D167 VanDerWaalsContact O-CG 3.23Å; E163-D167 PolarHBondContact O-N 3.02Å; E163-K486 IonicContact OE1-NZ 2.65Å; E163-K486 PolarHBondContact OE1-NZ 3.23Å |
| 164 | E | 86.9 | Confident | 73.7 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 175.4 | -73.6 | 178.8 | -169.3 | 0 | 0 | 112.3 | R160 L166 I168 | R160-E164 HydrophobicContact CG-CG 4.44Å; R160-E164 IonicContact NE-OE1 3.17Å; R160-E164 PolarHBondContact NE-OE1 3.19Å; R160-E164 WeakPolarHBondContact O-CB 3.43Å; R160-E164 VanDerWaalsContact O-CG 3.31Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.19Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.25Å; E164-I168 WeakPolarHBondContact O-CD1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å |
| 165 | A | 83.6 | Confident | 70.8 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.7 | -32.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D161 E163 Y479 | D161-A165 VanDerWaalsContact O-CB 3.25Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 3.18Å; E163-A165 VanDerWaalsContact C-N 3.3Å; E163-A165 PolarHBondContact O-N 3.13Å; A165-Y479 HydrophobicContact CB-CE1 3.92Å; A165-Y479 HydrophobicContact CB-CE2 4.06Å |
| 166 | L | 80 | Confident | 67.7 | Low | 16 Ų | 16 | 71.2 Ų | 71.2 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -87.7 | -34.1 | 177.8 | -67.1 | -174.6 | 0 | 0 | 0 | 112.9 | A162 E163 E164 I168 F169 L482 A483 | A162-L166 WeakPolarHBondContact O-CG 3.44Å; A162-L166 PolarHBondContact O-N 3.48Å; E163-L166 CarbonylContact O-C 3.52Å; E163-L166 PolarHBondContact O-N 3.37Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.25Å; L166-I168 PolarHBondContact O-N 3.47Å; L166-F169 VanDerWaalsContact O-CB 3.31Å; L166-F169 WeakPolarHBondContact O-CB 3.43Å; L166-F169 PolarHBondContact O-N 2.94Å; L166-L482 HydrophobicContact CD1-CB 3.87Å; L166-L482 HydrophobicContact CD1-CD2 3.62Å; L166-L482 HydrophobicContact CD1-CG 3.61Å; L166-L482 HydrophobicContact CG-CD2 4.45Å; L166-A483 HydrophobicContact CD1-CB 4.16Å |
| 167 | D | 71.6 | Confident | 64.5 | Low | 61 Ų | 61 | 72.8 Ų | 72.8 | 33% | 0.326 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.9 | -16.1 | -175.2 | -76.5 | 3.1 | 0 | 0 | 0 | 112.7 | E163 F169 E170 K486 | E163-D167 WeakPolarHBondContact CG-OD2 3.38Å; E163-D167 VanDerWaalsContact O-CB 3.31Å; E163-D167 WeakPolarHBondContact O-CB 3.4Å; E163-D167 VanDerWaalsContact O-CG 3.23Å; E163-D167 PolarHBondContact O-N 3.02Å; D167-F169 PolarHBondContact O-N 3.2Å; D167-E170 PolarHBondContact O-N 2.65Å; D167-K486 IonicContact OD1-NZ 3.26Å; D167-K486 PolarHBondContact OD1-NZ 3.02Å |
| 168 | I | 61 | Low | 61.6 | Low | 89 Ų | 89 | 74.2 Ų | 74.2 | 46% | 0.456 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -16 | 166.1 | -67 | 164 | 0 | 0 | 0 | 111.7 | E164 L166 | E164-I168 WeakPolarHBondContact O-CD1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; L166-I168 PolarHBondContact O-N 3.47Å |
| 169 | F | 50.3 | Low | 58.9 | Low | 88 Ų | 88 | 75.3 Ų | 75.3 | 39% | 0.386 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -20.9 | 176.9 | -74.6 | -93.2 | 0 | 0 | 0 | 113.9 | L166 D167 T171 H373 | L166-F169 VanDerWaalsContact O-CB 3.31Å; L166-F169 WeakPolarHBondContact O-CB 3.43Å; L166-F169 PolarHBondContact O-N 2.94Å; D167-F169 PolarHBondContact O-N 3.2Å; F169-T171 PolarHBondContact O-N 2.96Å; F169-T171 VanDerWaalsContact O-N 3.1Å; F169-H373 AromaticContact CD1-CE1 3.44Å; F169-H373 VanDerWaalsContact CD1-CE1 3.44Å; F169-H373 WeakPolarHBondContact CD1-CE1 3.47Å; F169-H373 AromaticContact CD1-NE2 3.5Å; F169-H373 AromaticContact CD2-CD2 3.42Å; F169-H373 VanDerWaalsContact CD2-CD2 3.42Å; F169-H373 WeakPolarHBondContact CD2-CD2 3.47Å; F169-H373 AromaticContact CD2-CE1 3.08Å; F169-H373 WeakPolarHBondContact CD2-CE1 3.49Å; F169-H373 AromaticContact CD2-CG 3.73Å; F169-H373 AromaticContact CD2-ND1 3.45Å; F169-H373 WeakPolarHBondContact CD2-ND1 3.36Å; F169-H373 AromaticContact CD2-NE2 2.99Å; F169-H373 WeakPolarHBondContact CD2-NE2 3.36Å; F169-H373 AromaticContact CE1-CE1 3.05Å; F169-H373 WeakPolarHBondContact CE1-CE1 3.45Å; F169-H373 AromaticContact CE1-ND1 3.89Å; F169-H373 AromaticContact CE1-NE2 3.64Å; F169-H373 AromaticContact CE2-CD2 3.68Å; F169-H373 AromaticContact CE2-CE1 2.76Å; F169-H373 WeakPolarHBondContact CE2-CE1 3.23Å; F169-H373 AromaticContact CE2-CG 3.51Å; F169-H373 AromaticContact CE2-ND1 2.83Å; F169-H373 WeakPolarHBondContact CE2-ND1 3.43Å; F169-H373 AromaticContact CE2-NE2 3.26Å; F169-H373 VanDerWaalsContact CE2-NE2 3.26Å; F169-H373 WeakPolarHBondContact CE2-NE2 3.26Å; F169-H373 AromaticContact CG-CE1 3.49Å; F169-H373 VanDerWaalsContact CG-CE1 3.49Å; F169-H373 WeakPolarHBondContact CG-CE1 3.21Å; F169-H373 AromaticContact CG-NE2 3.23Å; F169-H373 WeakPolarHBondContact CG-NE2 3.49Å; F169-H373 AromaticContact CZ-CE1 2.74Å; F169-H373 WeakPolarHBondContact CZ-CE1 3.36Å; F169-H373 AromaticContact CZ-ND1 3.1Å; F169-H373 WeakPolarHBondContact CZ-ND1 3.32Å; F169-H373 AromaticContact CZ-NE2 3.58Å |
| 170 | E | 51.9 | Low | 56.3 | Low | 93 Ų | 93 | 74.1 Ų | 74.1 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | trans | -88.1 | 73.7 | 172.1 | -66.2 | -174.7 | -175.6 | 0 | 0 | 107.6 | D167 | D167-E170 PolarHBondContact O-N 2.65Š| ||
| 171 | T | 40.6 | Very low | 53.8 | Low | 70 Ų | 70 | 76.2 Ų | 76.2 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | trans | -50.4 | 142.5 | 156.8 | 32.7 | 0 | 0 | 0 | 0 | 108.3 | F169 D173 E309 | F169-T171 PolarHBondContact O-N 2.96Å; F169-T171 VanDerWaalsContact O-N 3.1Å; T171-D173 PolarHBondContact O-N 3.3Å; T171-E309 WeakPolarHBondContact CG2-OE1 3.44Å | ||
| 172 | P | 31.5 | Very low | 51.7 | Low | 108 Ų | 108 | 75.1 Ų | 75.1 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -74.3 | 47.9 | -152.4 | 30.1 | -37.4 | 0 | 0 | 0 | 116 | ||
| 173 | D | 35.5 | Very low | 49.6 | Very low | 110 Ų | 110 | 83.2 Ų | 83.2 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -113 | 10.1 | 178.1 | -70.5 | -23.7 | 0 | 0 | 0 | 113.4 | T171 | T171-D173 PolarHBondContact O-N 3.3Š|
| 174 | L | 41.2 | Very low | 47.4 | Very low | 107 Ų | 107 | 86.5 Ų | 86.5 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -120.6 | 1.4 | 175.8 | -73.2 | 168.1 | 0 | 0 | 0 | 115.3 | ||
| 175 | I | 30.9 | Very low | 45.4 | Very low | 162 Ų | 162 | 86.1 Ų | 86.1 | 83% | 0.831 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -107.5 | 76.5 | 168.3 | -52.7 | -179.7 | 0 | 0 | 0 | 108.6 | ||
| 176 | G | 28.2 | Very low | 43.3 | Very low | 51 Ų | 51 | 88 Ų | 88 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | S | Bend | trans | 147.9 | 89.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 177 | G | 29.1 | Very low | 41.4 | Very low | 39 Ų | 39 | 89.2 Ų | 89.2 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | cis | -167.9 | -142.1 | 10.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | D182 | G177-D182 WeakPolarHBondContact CA-OD1 3.45Å; G177-D182 WeakPolarHBondContact CA-OD2 3.31Å; G177-D182 VanDerWaalsContact N-CG 3.35Å; G177-D182 PolarHBondContact N-OD1 3.47Å; G177-D182 PolarHBondContact N-OD2 3.29Å | ||
| 178 | D | 32.7 | Very low | 40.2 | Very low | 86 Ų | 86 | 92.1 Ų | 92.1 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | trans | -70.2 | 130.9 | 178.4 | -168.3 | 32.5 | 0 | 0 | 0 | 110.7 | G180 D181 D182 | D178-G180 PolarHBondContact O-N 3.39Å; D178-D181 PolarHBondContact O-N 3.05Å; D178-D181 VanDerWaalsContact O-N 3.07Å; D178-D182 PolarHBondContact N-OD2 3.32Å; D178-D182 VanDerWaalsContact N-OD2 3.09Å; D178-D182 PolarHBondContact O-N 2.98Å | ||
| 179 | P | 35 | Very low | 39.7 | Very low | 115 Ų | 115 | 96.7 Ų | 96.7 | 75% | 0.747 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 4.1 | 169.8 | -18.2 | 30.1 | 0 | 0 | 0 | 114.4 | ||
| 180 | G | 34.6 | Very low | 39.4 | Very low | 57 Ų | 57 | 97.7 Ų | 97.7 | 59% | 0.588 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -26.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D178 | D178-G180 PolarHBondContact O-N 3.39Š|
| 181 | D | 40.4 | Very low | 38.5 | Very low | 118 Ų | 118 | 96.4 Ų | 96.4 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | -8.6 | -166.1 | -62.1 | -18.9 | 0 | 0 | 0 | 114.1 | D178 | D178-D181 PolarHBondContact O-N 3.05Å; D178-D181 VanDerWaalsContact O-N 3.07Å |
| 182 | D | 45.6 | Very low | 38.9 | Very low | 39 Ų | 39 | 97.5 Ų | 97.5 | 21% | 0.209 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -84.1 | -10.4 | -169.9 | -68.7 | -40.8 | 0 | 0 | 0 | 116.3 | G177 D178 D184 L185 A186 | G177-D182 WeakPolarHBondContact CA-OD1 3.45Å; G177-D182 WeakPolarHBondContact CA-OD2 3.31Å; G177-D182 VanDerWaalsContact N-CG 3.35Å; G177-D182 PolarHBondContact N-OD1 3.47Å; G177-D182 PolarHBondContact N-OD2 3.29Å; D178-D182 PolarHBondContact N-OD2 3.32Å; D178-D182 VanDerWaalsContact N-OD2 3.09Å; D178-D182 PolarHBondContact O-N 2.98Å; D182-D184 PolarHBondContact O-N 2.84Å; D182-L185 PolarHBondContact O-N 2.89Å; D182-A186 WeakPolarHBondContact O-CB 3.5Å; D182-A186 PolarHBondContact O-N 2.85Å |
| 183 | E | 44 | Very low | 39.3 | Very low | 179 Ų | 179 | 98.2 Ų | 98.2 | 84% | 0.836 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.1 | -32.3 | 172.9 | -84.3 | -166.4 | 114.7 | 0 | 0 | 111.2 | ||
| 184 | D | 40.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 100.9 Ų | 100.9 | 73% | 0.727 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -86.7 | -31.4 | 177.4 | -78.8 | -17.2 | 0 | 0 | 0 | 113.1 | D182 K188 | D182-D184 PolarHBondContact O-N 2.84Å; D184-K188 PolarHBondContact O-N 3.21Å; D184-K188 VanDerWaalsContact O-N 3.13Å |
| 185 | L | 44.4 | Very low | 39.5 | Very low | 70 Ų | 70 | 99.9 Ų | 99.9 | 37% | 0.366 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -83.6 | -30.6 | -177.7 | -164.5 | 62.2 | 0 | 0 | 0 | 113.4 | D182 A187 K188 R189 | D182-L185 PolarHBondContact O-N 2.89Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-K188 HydrophobicContact CD1-CB 4.27Å; L185-K188 PolarHBondContact O-N 3.42Å; L185-R189 PolarHBondContact O-N 2.77Å |
| 186 | A | 40.5 | Very low | 40 | Very low | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -34.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | D182 L190 | D182-A186 WeakPolarHBondContact O-CB 3.5Å; D182-A186 PolarHBondContact O-N 2.85Å; A186-L190 WeakPolarHBondContact O-CB 3.18Å; A186-L190 PolarHBondContact O-N 3.07Å |
| 187 | A | 40.8 | Very low | 40.3 | Very low | 42 Ų | 42 | 98.2 Ų | 98.2 | 35% | 0.347 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.4 | -39 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | L185 I192 | L185-A187 VanDerWaalsContact C-N 3.31Å; A187-I192 PolarHBondContact O-N 3.5Å |
| 188 | K | 44.7 | Very low | 40.8 | Very low | 123 Ų | 123 | 104.2 Ų | 104.2 | 54% | 0.535 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.6 | -39.9 | 177 | -100.9 | 171.8 | 178.4 | 169.5 | 0 | 114.7 | D184 L185 L190 G191 E193 | D184-K188 PolarHBondContact O-N 3.21Å; D184-K188 VanDerWaalsContact O-N 3.13Å; L185-K188 HydrophobicContact CD1-CB 4.27Å; L185-K188 PolarHBondContact O-N 3.42Å; K188-L190 VanDerWaalsContact C-N 3.27Å; K188-L190 PolarHBondContact O-N 3.27Å; K188-G191 PolarHBondContact O-N 2.78Å; K188-E193 WeakPolarHBondContact CE-OE2 3.34Å; K188-E193 WeakPolarHBondContact CG-OE2 3.48Å |
| 189 | R | 50.8 | Low | 40.8 | Very low | 185 Ų | 185 | 104.5 Ų | 104.5 | 70% | 0.698 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.7 | -16.2 | 178.8 | -75.1 | -168.2 | 176.4 | 103.5 | 2.5 | 114 | L185 | L185-R189 PolarHBondContact O-N 2.77Å |
| 190 | L | 44 | Very low | 40.9 | Very low | 108 Ų | 108 | 101.7 Ų | 101.7 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 22 | 175 | -91.3 | 141.9 | 0 | 0 | 0 | 113.2 | A186 K188 I192 | A186-L190 WeakPolarHBondContact O-CB 3.18Å; A186-L190 PolarHBondContact O-N 3.07Å; K188-L190 VanDerWaalsContact C-N 3.27Å; K188-L190 PolarHBondContact O-N 3.27Å; L190-I192 HydrophobicContact CB-CD1 4.18Å; L190-I192 WeakPolarHBondContact O-CG1 3.1Å; L190-I192 PolarHBondContact O-N 3.4Å; L190-I192 VanDerWaalsContact O-N 3.15Å |
| 191 | G | 33.5 | Very low | 41.3 | Very low | 67 Ų | 67 | 105.5 Ų | 105.5 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.6 | 32.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K188 | K188-G191 PolarHBondContact O-N 2.78Š|
| 192 | I | 48.5 | Very low | 41.6 | Very low | 93 Ų | 93 | 105.6 Ų | 105.6 | 48% | 0.477 | 65% | 0.647 | S | S | . | * | trans | -103.8 | 46.2 | 179 | -59.1 | 156.7 | 0 | 0 | 0 | 110.2 | A187 L190 | A187-I192 PolarHBondContact O-N 3.5Å; L190-I192 HydrophobicContact CB-CD1 4.18Å; L190-I192 WeakPolarHBondContact O-CG1 3.1Å; L190-I192 PolarHBondContact O-N 3.4Å; L190-I192 VanDerWaalsContact O-N 3.15Å | ||
| 193 | E | 40.4 | Very low | 41.8 | Very low | 123 Ų | 123 | 107.1 Ų | 107.1 | 58% | 0.575 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -138.1 | 79.1 | 162.7 | -75.4 | -177.9 | 132.4 | 0 | 0 | 106.4 | K188 | K188-E193 WeakPolarHBondContact CE-OE2 3.34Å; K188-E193 WeakPolarHBondContact CG-OE2 3.48Å |
| 194 | D | 39.3 | Very low | 42.4 | Very low | 166 Ų | 166 | 107.2 Ų | 107.2 | 89% | 0.888 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 177.6 | -6.2 | 160.9 | -88.9 | -21.6 | 0 | 0 | 0 | 111.7 | A196 | D194-A196 VanDerWaalsContact C-N 3.35Š|
| 195 | A | 41 | Very low | 43.3 | Very low | 86 Ų | 86 | 104.1 Ų | 104.1 | 71% | 0.711 | 66% | 0.658 | S | S | * | * | trans | -89 | 11.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G197 | A195-G197 PolarHBondContact O-N 3.07Å; A195-G197 VanDerWaalsContact O-N 3.13Å | ||
| 196 | A | 41.7 | Very low | 44.5 | Very low | 113 Ų | 113 | 102.4 Ų | 102.4 | 93% | 0.934 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 9.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | D194 | D194-A196 VanDerWaalsContact C-N 3.35Š|
| 197 | G | 35.8 | Very low | 46.3 | Very low | 64 Ų | 64 | 109.3 Ų | 109.3 | 66% | 0.66 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -7.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | A195 | A195-G197 PolarHBondContact O-N 3.07Å; A195-G197 VanDerWaalsContact O-N 3.13Å |
| 198 | L | 38.9 | Very low | 48.2 | Very low | 165 Ų | 165 | 113 Ų | 113 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | trans | -134.6 | 104.5 | 179.8 | -80.3 | 116 | 0 | 0 | 0 | 111.5 | G200 | L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.43Å | ||
| 199 | G | 32.3 | Very low | 49.8 | Very low | 93 Ų | 93 | 113.6 Ų | 113.6 | 96% | 0.959 | 68% | 0.676 | S | S | * | * | trans | -62.1 | 92 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 200 | G | 38.2 | Very low | 51.3 | Low | 55 Ų | 55 | 114 Ų | 114 | 57% | 0.567 | 68% | 0.678 | S | S | * | * | trans | -108.9 | 140.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L198 D202 | L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.43Å; G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 3.19Å | ||
| 201 | P | 41.8 | Very low | 53.3 | Low | 137 Ų | 137 | 112.4 Ų | 112.4 | 89% | 0.89 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -76.5 | 73.6 | -173.6 | 32.9 | -34.5 | 0 | 0 | 0 | 111.2 | ||
| 202 | D | 47.4 | Very low | 55.9 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 65% | 0.647 | 65% | 0.646 | S | S | * | * | trans | -128.5 | 49.5 | 173.5 | -93.9 | -28.8 | 0 | 0 | 0 | 112 | G200 K204 S205 | G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 3.19Å; D202-K204 PolarHBondContact O-N 3.45Å; D202-S205 PolarHBondContact O-N 3.33Å; D202-S205 PolarHBondContact O-OG 2.91Å | ||
| 203 | G | 49.5 | Very low | 57.6 | Low | 70 Ų | 70 | 110.6 Ų | 110.6 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -60.3 | -9.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 204 | K | 55.7 | Low | 59.8 | Low | 182 Ų | 182 | 113.6 Ų | 113.6 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -79.8 | -36.9 | 177.6 | -69.3 | -179.7 | 179.8 | 175.2 | 0 | 112.8 | D202 G206 R207 W208 | D202-K204 PolarHBondContact O-N 3.45Å; K204-G206 VanDerWaalsContact C-N 3.34Å; K204-G206 PolarHBondContact O-N 2.86Å; K204-R207 PolarHBondContact O-N 3.45Å; K204-W208 PolarHBondContact O-N 3.43Å |
| 205 | S | 60.4 | Low | 62.2 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.2 | -37 | -177.6 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | D202 W208 R209 | D202-S205 PolarHBondContact O-N 3.33Å; D202-S205 PolarHBondContact O-OG 2.91Å; S205-W208 PolarHBondContact O-N 3.19Å; S205-R209 PolarHBondContact O-N 3.3Å; S205-R209 VanDerWaalsContact O-N 3.07Å |
| 206 | G | 68.6 | Low | 64.5 | Low | 34 Ų | 34 | 106 Ų | 106 | 35% | 0.351 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.2 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K204 R210 | K204-G206 VanDerWaalsContact C-N 3.34Å; K204-G206 PolarHBondContact O-N 2.86Å; G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.19Å |
| 207 | R | 78.9 | Confident | 66.5 | Low | 198 Ų | 198 | 102.3 Ų | 102.3 | 75% | 0.747 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.9 | -39.4 | 178 | -165 | -177.4 | -63.4 | -166.8 | 0.4 | 111.5 | K204 R210 L211 | K204-R207 PolarHBondContact O-N 3.45Å; R207-R210 PolarHBondContact O-N 3Å; R207-L211 VanDerWaalsContact O-CB 3.32Å; R207-L211 WeakPolarHBondContact O-CB 3.37Å; R207-L211 PolarHBondContact O-N 3.16Å |
| 208 | W | 80.8 | Confident | 69 | Low | 119 Ų | 119 | 101 Ų | 101 | 45% | 0.451 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 179.7 | -149.1 | 88.5 | 0 | 0 | 0 | 111.7 | K204 S205 R210 L211 Q212 V302 F303 | K204-W208 PolarHBondContact O-N 3.43Å; S205-W208 PolarHBondContact O-N 3.19Å; W208-R210 VanDerWaalsContact C-N 3.28Å; W208-R210 PolarHBondContact O-N 2.93Å; W208-L211 PolarHBondContact O-N 3.16Å; W208-Q212 HydrophobicContact CE3-CB 4.27Å; W208-Q212 HydrophobicContact CZ3-CB 4.3Å; W208-Q212 HydrophobicContact CZ3-CG 4.2Å; W208-Q212 VanDerWaalsContact O-CB 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.47Å; W208-Q212 PolarHBondContact O-N 3.03Å; W208-V302 HydrophobicContact CH2-CG1 4.47Å; W208-V302 VanDerWaalsContact CH2-O 3.24Å; W208-V302 WeakPolarHBondContact CH2-O 3.48Å; W208-V302 HydrophobicContact CZ2-CG1 3.77Å; W208-F303 HydrophobicContact CH2-CD1 4.46Å; W208-F303 HydrophobicContact CZ2-CD1 4.17Å; W208-F303 HydrophobicContact CZ2-CE1 4.13Å |
| 209 | R | 79.5 | Confident | 71.3 | Confident | 136 Ų | 136 | 93.8 Ų | 93.8 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -32.6 | 173.2 | -76.7 | -167.9 | -179.1 | -145.9 | 3.2 | 113.6 | S205 P213 | S205-R209 PolarHBondContact O-N 3.3Å; S205-R209 VanDerWaalsContact O-N 3.07Å; R209-P213 WeakPolarHBondContact O-CD 3.31Å |
| 210 | R | 81.5 | Confident | 73.6 | Confident | 194 Ų | 194 | 92 Ų | 92 | 73% | 0.732 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -78.5 | -33.2 | 174.6 | -68.5 | 179.5 | -169.7 | -149.9 | 2.8 | 112.9 | G206 R207 W208 | G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.19Å; R207-R210 PolarHBondContact O-N 3Å; W208-R210 VanDerWaalsContact C-N 3.28Å; W208-R210 PolarHBondContact O-N 2.93Å |
| 211 | L | 84.9 | Confident | 75.4 | Confident | 74 Ų | 74 | 92.8 Ų | 92.8 | 39% | 0.387 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -78 | -34.9 | -179.2 | -174.8 | 64.6 | 0 | 0 | 0 | 112 | R207 W208 R214 M215 F303 | R207-L211 VanDerWaalsContact O-CB 3.32Å; R207-L211 WeakPolarHBondContact O-CB 3.37Å; R207-L211 PolarHBondContact O-N 3.16Å; W208-L211 PolarHBondContact O-N 3.16Å; L211-R214 PolarHBondContact O-N 3.43Å; L211-M215 HydrophobicContact CD1-CG 3.64Å; L211-M215 HydrophobicContact CD1-SD 4.22Å; L211-M215 HydrophobicContact CD2-CG 4.34Å; L211-M215 HydrophobicContact CG-CG 3.62Å; L211-M215 WeakPolarHBondContact O-CB 3.46Å; L211-M215 WeakPolarHBondContact O-CG 3.22Å; L211-M215 PolarHBondContact O-N 3.41Å; L211-F303 HydrophobicContact CD2-CE1 4.33Å; L211-F303 HydrophobicContact CD2-CZ 4.37Å; L211-F303 HydrophobicContact CG-CE1 4.39Å |
| 212 | Q | 88.1 | Confident | 77.1 | Confident | 45 Ų | 45 | 87.6 Ų | 87.6 | 21% | 0.21 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -52.6 | -57.7 | -177.4 | -177.7 | -178.2 | 2.1 | 0 | 0 | 113.7 | W208 R214 M215 W216 F303 S304 | W208-Q212 HydrophobicContact CE3-CB 4.27Å; W208-Q212 HydrophobicContact CZ3-CB 4.3Å; W208-Q212 HydrophobicContact CZ3-CG 4.2Å; W208-Q212 VanDerWaalsContact O-CB 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.47Å; W208-Q212 PolarHBondContact O-N 3.03Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 2.94Å; Q212-M215 PolarHBondContact O-N 3.22Å; Q212-W216 VanDerWaalsContact O-CB 3.27Å; Q212-W216 WeakPolarHBondContact O-CB 3.41Å; Q212-W216 PolarHBondContact O-N 2.83Å; Q212-F303 HydrophobicContact CB-CD1 4.25Å; Q212-F303 HydrophobicContact CG-CB 4.39Å; Q212-F303 HydrophobicContact CG-CD1 4.36Å; Q212-F303 VanDerWaalsContact CG-O 3.28Å; Q212-F303 WeakPolarHBondContact CG-O 3.2Å; Q212-F303 PolarHBondContact NE2-O 2.99Å; Q212-S304 PolarHBondContact NE2-O 3.06Å |
| 213 | P | 85.8 | Confident | 78.4 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 49% | 0.494 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.4 | -33 | -179.6 | 25.4 | -34.3 | 0 | 0 | 0 | 112.4 | R209 A217 | R209-P213 WeakPolarHBondContact O-CD 3.31Å; P213-A217 VanDerWaalsContact O-CB 3.26Å; P213-A217 WeakPolarHBondContact O-CB 3.4Å; P213-A217 PolarHBondContact O-N 3.18Å |
| 214 | R | 86.4 | Confident | 79.8 | Confident | 186 Ų | 186 | 88.8 Ų | 88.8 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.1 | -45.8 | 177.5 | -69.1 | -178.1 | 175.6 | -179.7 | -0.8 | 111.9 | L211 Q212 L218 | L211-R214 PolarHBondContact O-N 3.43Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 2.94Å; R214-L218 WeakPolarHBondContact O-CB 3.37Å; R214-L218 PolarHBondContact O-N 3.36Å; R214-L218 VanDerWaalsContact O-N 3.09Å |
| 215 | M | 89.4 | Confident | 81.2 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 21% | 0.207 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.7 | -38 | 178 | -73.1 | -61.8 | -59.4 | 0 | 0 | 111.9 | L211 Q212 L218 F219 V299 F303 | L211-M215 HydrophobicContact CD1-CG 3.64Å; L211-M215 HydrophobicContact CD1-SD 4.22Å; L211-M215 HydrophobicContact CD2-CG 4.34Å; L211-M215 HydrophobicContact CG-CG 3.62Å; L211-M215 WeakPolarHBondContact O-CB 3.46Å; L211-M215 WeakPolarHBondContact O-CG 3.22Å; L211-M215 PolarHBondContact O-N 3.41Å; Q212-M215 PolarHBondContact O-N 3.22Å; M215-L218 HydrophobicContact CE-CD2 4.5Å; M215-L218 WeakPolarHBondContact O-CB 3.35Å; M215-L218 PolarHBondContact O-N 2.89Å; M215-L218 HydrophobicContact SD-CD2 4.25Å; M215-F219 HydrophobicContact CE-CE2 4.03Å; M215-F219 PolarHBondContact O-N 2.93Å; M215-V299 HydrophobicContact CE-CG1 3.86Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 4Å; M215-F303 HydrophobicContact CB-CD2 3.57Å; M215-F303 HydrophobicContact CB-CE1 4.23Å; M215-F303 HydrophobicContact CB-CE2 3.86Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.16Å; M215-F303 HydrophobicContact CE-CD2 4.41Å; M215-F303 HydrophobicContact CE-CE2 3.95Å; M215-F303 HydrophobicContact CG-CD1 4.46Å; M215-F303 HydrophobicContact CG-CD2 4.19Å; M215-F303 HydrophobicContact CG-CE1 4.19Å; M215-F303 HydrophobicContact CG-CE2 3.94Å; M215-F303 HydrophobicContact CG-CG 4.44Å; M215-F303 HydrophobicContact CG-CZ 3.92Å |
| 216 | W | 88.7 | Confident | 82.5 | Confident | 50 Ų | 50 | 90.4 Ų | 90.4 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61 | -52.2 | 173.7 | -179.9 | -109.5 | 0 | 0 | 0 | 111.4 | Q212 L218 F219 E220 R300 F303 F310 | Q212-W216 VanDerWaalsContact O-CB 3.27Å; Q212-W216 WeakPolarHBondContact O-CB 3.41Å; Q212-W216 PolarHBondContact O-N 2.83Å; W216-L218 PolarHBondContact O-N 2.87Å; W216-F219 PolarHBondContact O-N 3.33Å; W216-F219 VanDerWaalsContact O-N 3.16Å; W216-E220 HydrophobicContact CZ2-CB 4.44Å; W216-E220 HydrophobicContact CZ2-CG 4.01Å; W216-E220 WeakPolarHBondContact O-CB 3.45Å; W216-E220 PolarHBondContact O-N 3.5Å; W216-R300 HydrophobicContact CZ3-CB 4.31Å; W216-R300 WeakPolarHBondContact CZ3-O 3.46Å; W216-F303 HydrophobicContact CB-CB 4.48Å; W216-F310 AromaticContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CE2 4.11Å; W216-F310 HydrophobicContact CZ3-CD2 4.06Å; W216-F310 HydrophobicContact CZ3-CE2 4.11Å |
| 217 | A | 84.9 | Confident | 83.6 | Confident | 36 Ų | 36 | 91.4 Ų | 91.4 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -33.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P213 F219 D221 S224 | P213-A217 VanDerWaalsContact O-CB 3.26Å; P213-A217 WeakPolarHBondContact O-CB 3.4Å; P213-A217 PolarHBondContact O-N 3.18Å; A217-F219 VanDerWaalsContact C-N 3.33Å; A217-F219 PolarHBondContact O-N 2.88Å; A217-D221 PolarHBondContact O-N 3.46Å; A217-S224 PolarHBondContact O-OG 2.96Å |
| 218 | L | 88 | Confident | 84.1 | Confident | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64 | -34.1 | 178.7 | -174.8 | 69.4 | 0 | 0 | 0 | 113.3 | R214 M215 W216 A227 A228 I231 | R214-L218 WeakPolarHBondContact O-CB 3.37Å; R214-L218 PolarHBondContact O-N 3.36Å; R214-L218 VanDerWaalsContact O-N 3.09Å; M215-L218 HydrophobicContact CE-CD2 4.5Å; M215-L218 WeakPolarHBondContact O-CB 3.35Å; M215-L218 PolarHBondContact O-N 2.89Å; M215-L218 HydrophobicContact SD-CD2 4.25Å; W216-L218 PolarHBondContact O-N 2.87Å; L218-A227 HydrophobicContact CD1-CB 3.62Å; L218-A228 HydrophobicContact CD1-CB 4.15Å; L218-A228 WeakPolarHBondContact O-CA 3.49Å; L218-A228 WeakPolarHBondContact O-CB 3.34Å; L218-I231 HydrophobicContact CD1-CD1 3.78Å; L218-I231 HydrophobicContact CD2-CD1 3.59Å; L218-I231 HydrophobicContact CG-CD1 3.46Å; L218-I231 VanDerWaalsContact CG-CD1 3.46Å |
| 219 | F | 86.2 | Confident | 84.4 | Confident | 14 Ų | 14 | 83.3 Ų | 83.3 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -102.3 | -21 | -176.4 | -83.5 | -98.5 | 0 | 0 | 0 | 114.3 | M215 W216 A217 I231 F295 E296 V299 R300 R363 | M215-F219 HydrophobicContact CE-CE2 4.03Å; M215-F219 PolarHBondContact O-N 2.93Å; W216-F219 PolarHBondContact O-N 3.33Å; W216-F219 VanDerWaalsContact O-N 3.16Å; A217-F219 VanDerWaalsContact C-N 3.33Å; A217-F219 PolarHBondContact O-N 2.88Å; F219-I231 HydrophobicContact CD1-CG2 4.16Å; F219-I231 HydrophobicContact CE1-CG2 4.03Å; F219-I231 HydrophobicContact CE2-CD1 4.17Å; F219-I231 HydrophobicContact CZ-CD1 4.34Å; F219-I231 HydrophobicContact CZ-CG2 4.38Å; F219-F295 HydrophobicContact CE1-CE1 4.31Å; F219-F295 AromaticContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CZ 4.34Å; F219-E296 HydrophobicContact CD1-CG 3.95Å; F219-E296 HydrophobicContact CE1-CB 4.43Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; F219-V299 HydrophobicContact CD1-CG1 4.42Å; F219-V299 HydrophobicContact CD2-CG1 3.64Å; F219-V299 HydrophobicContact CE1-CB 4.44Å; F219-V299 HydrophobicContact CE1-CG1 4.35Å; F219-V299 HydrophobicContact CE2-CB 4.43Å; F219-V299 HydrophobicContact CE2-CG1 3.57Å; F219-V299 HydrophobicContact CG-CG1 4.08Å; F219-V299 HydrophobicContact CZ-CB 4.31Å; F219-V299 HydrophobicContact CZ-CG1 3.94Å; F219-V299 HydrophobicContact CZ-CG2 4.43Å; F219-R300 HydrophobicContact CB-CG 4.03Å; F219-R300 PolarHBondContact O-NE 3.39Å; F219-R300 PolarHBondContact O-NH2 2.72Å; F219-R363 PolarHBondContact O-NH1 2.75Å |
| 220 | E | 81.7 | Confident | 85 | Confident | 55 Ų | 55 | 84 Ų | 84 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -94.5 | -47.1 | -177.1 | -161.7 | 62.7 | -161.7 | 0 | 0 | 112.8 | W216 R300 R363 | W216-E220 HydrophobicContact CZ2-CB 4.44Å; W216-E220 HydrophobicContact CZ2-CG 4.01Å; W216-E220 WeakPolarHBondContact O-CB 3.45Å; W216-E220 PolarHBondContact O-N 3.5Å; E220-R300 IonicContact OE2-NE 2.73Å; E220-R363 IonicContact OE1-CZ 3.91Å; E220-R363 IonicContact OE1-NH1 3.86Å; E220-R363 IonicContact OE1-NH2 3.48Å; E220-R363 PolarHBondContact OE1-NH2 2.93Å; E220-R363 IonicContact OE2-CZ 2.61Å; E220-R363 VanDerWaalsContact OE2-CZ 3.26Å; E220-R363 IonicContact OE2-NH1 3.22Å; E220-R363 PolarHBondContact OE2-NH1 3.49Å; E220-R363 IonicContact OE2-NH2 3.87Å; E220-R363 PolarHBondContact OE2-NH2 3.43Å |
| 221 | D | 74.6 | Confident | 85.5 | Confident | 73 Ų | 73 | 76 Ų | 76 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | trans | -108.9 | 108.2 | -177.1 | 178.9 | 12.9 | 0 | 0 | 0 | 111.5 | A217 Y223 S224 A228 | A217-D221 PolarHBondContact O-N 3.46Å; D221-Y223 PolarHBondContact O-N 3.2Å; D221-Y223 VanDerWaalsContact O-N 3.16Å; D221-Y223 PolarHBondContact OD1-N 3.41Å; D221-S224 WeakPolarHBondContact O-CB 3.38Å; D221-S224 PolarHBondContact O-N 3Å; D221-S224 PolarHBondContact O-OG 3Å; D221-S224 PolarHBondContact OD2-N 2.95Å; D221-A228 WeakPolarHBondContact O-CB 3.48Å | ||
| 222 | P | 78.6 | Confident | 85.7 | Confident | 27 Ų | 27 | 73.2 Ų | 73.2 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.8 | 179.3 | 27.9 | -35.2 | 0 | 0 | 0 | 113.5 | R229 A232 | P222-R229 VanDerWaalsContact O-CA 3.31Å; P222-R229 WeakPolarHBondContact O-CA 3.32Å; P222-R229 WeakPolarHBondContact O-CB 3.46Å; P222-R229 PolarHBondContact O-N 3.06Å; P222-R229 VanDerWaalsContact O-N 3.16Å; P222-A232 HydrophobicContact CB-CB 3.62Å |
| 223 | Y | 74.8 | Confident | 85.8 | Confident | 164 Ų | 164 | 76.8 Ų | 76.8 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -4.9 | -178.8 | -55.2 | -75.1 | 0 | 0 | 0 | 113.2 | D221 S225 | D221-Y223 PolarHBondContact O-N 3.2Å; D221-Y223 VanDerWaalsContact O-N 3.16Å; D221-Y223 PolarHBondContact OD1-N 3.41Å; Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 3.25Å |
| 224 | S | 78 | Confident | 86.1 | Confident | 52 Ų | 52 | 74 Ų | 74 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -63.4 | -36.7 | -178.2 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | A217 D221 A228 | A217-S224 PolarHBondContact O-OG 2.96Å; D221-S224 WeakPolarHBondContact O-CB 3.38Å; D221-S224 PolarHBondContact O-N 3Å; D221-S224 PolarHBondContact O-OG 3Å; D221-S224 PolarHBondContact OD2-N 2.95Å; S224-A228 WeakPolarHBondContact OG-CB 3.47Å |
| 225 | S | 86.2 | Confident | 86.3 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | trans | -156.3 | 164.2 | -179.4 | 69 | 0 | 0 | 0 | 0 | 111.8 | Y223 A227 A228 R229 | Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 3.25Å; S225-A227 PolarHBondContact O-N 3.32Å; S225-A228 WeakPolarHBondContact O-CB 3.49Å; S225-A228 PolarHBondContact O-N 3.03Å; S225-A228 WeakPolarHBondContact OG-CB 3.31Å; S225-A228 PolarHBondContact OG-N 2.76Å; S225-R229 PolarHBondContact O-N 3.23Å | ||
| 226 | R | 87.7 | Confident | 86.4 | Confident | 237 Ų | 237 | 65.9 Ų | 65.9 | 89% | 0.894 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.4 | -35.5 | 172.7 | -65.8 | -177 | -177.8 | 175.8 | 0.8 | 111.9 | R229 F230 | R226-R229 PolarHBondContact O-N 3.07Å; R226-F230 PolarHBondContact O-N 3.21Å; R226-F230 VanDerWaalsContact O-N 3.07Å |
| 227 | A | 91.6 | Very high | 86.6 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L218 S225 R229 F230 I231 | L218-A227 HydrophobicContact CD1-CB 3.62Å; S225-A227 PolarHBondContact O-N 3.32Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.27Å; A227-F230 PolarHBondContact O-N 2.94Å; A227-I231 PolarHBondContact O-N 3.38Å |
| 228 | A | 89 | Confident | 87.1 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L218 D221 S224 S225 F230 I231 A232 | L218-A228 HydrophobicContact CD1-CB 4.15Å; L218-A228 WeakPolarHBondContact O-CA 3.49Å; L218-A228 WeakPolarHBondContact O-CB 3.34Å; D221-A228 WeakPolarHBondContact O-CB 3.48Å; S224-A228 WeakPolarHBondContact OG-CB 3.47Å; S225-A228 WeakPolarHBondContact O-CB 3.49Å; S225-A228 PolarHBondContact O-N 3.03Å; S225-A228 WeakPolarHBondContact OG-CB 3.31Å; S225-A228 PolarHBondContact OG-N 2.76Å; A228-F230 VanDerWaalsContact C-N 3.33Å; A228-F230 PolarHBondContact O-N 3.16Å; A228-I231 PolarHBondContact O-N 3.42Å; A228-A232 WeakPolarHBondContact O-CB 3.29Å; A228-A232 PolarHBondContact O-N 2.89Å |
| 229 | R | 88 | Confident | 87.3 | Confident | 145 Ų | 145 | 68 Ų | 68 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 176 | -165.4 | 176 | -178 | 169 | -1.4 | 111.9 | P222 S225 R226 A227 A232 F233 | P222-R229 VanDerWaalsContact O-CA 3.31Å; P222-R229 WeakPolarHBondContact O-CA 3.32Å; P222-R229 WeakPolarHBondContact O-CB 3.46Å; P222-R229 PolarHBondContact O-N 3.06Å; P222-R229 VanDerWaalsContact O-N 3.16Å; S225-R229 PolarHBondContact O-N 3.23Å; R226-R229 PolarHBondContact O-N 3.07Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.27Å; R229-A232 PolarHBondContact O-N 3.33Å; R229-F233 HydrophobicContact CG-CD2 4.05Å; R229-F233 HydrophobicContact CG-CE2 3.81Å; R229-F233 WeakPolarHBondContact O-CD2 3.49Å; R229-F233 PolarHBondContact O-N 3.46Å |
| 230 | F | 91.8 | Very high | 87.6 | Confident | 150 Ų | 150 | 71.5 Ų | 71.5 | 66% | 0.658 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.8 | -45.6 | 175.9 | -179.5 | -95.3 | 0 | 0 | 0 | 112.2 | R226 A227 A228 A232 F233 A234 | R226-F230 PolarHBondContact O-N 3.21Å; R226-F230 VanDerWaalsContact O-N 3.07Å; A227-F230 PolarHBondContact O-N 2.94Å; A228-F230 VanDerWaalsContact C-N 3.33Å; A228-F230 PolarHBondContact O-N 3.16Å; F230-A232 VanDerWaalsContact C-N 3.31Å; F230-A232 PolarHBondContact O-N 3.07Å; F230-F233 PolarHBondContact O-N 2.91Å; F230-A234 PolarHBondContact O-N 3.19Å |
| 231 | I | 91.3 | Very high | 88.2 | Confident | 28 Ų | 28 | 70.9 Ų | 70.9 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 176.4 | -73.6 | 164.8 | 0 | 0 | 0 | 110.7 | L218 F219 A227 A228 F233 A234 S235 | L218-I231 HydrophobicContact CD1-CD1 3.78Å; L218-I231 HydrophobicContact CD2-CD1 3.59Å; L218-I231 HydrophobicContact CG-CD1 3.46Å; L218-I231 VanDerWaalsContact CG-CD1 3.46Å; F219-I231 HydrophobicContact CD1-CG2 4.16Å; F219-I231 HydrophobicContact CE1-CG2 4.03Å; F219-I231 HydrophobicContact CE2-CD1 4.17Å; F219-I231 HydrophobicContact CZ-CD1 4.34Å; F219-I231 HydrophobicContact CZ-CG2 4.38Å; A227-I231 PolarHBondContact O-N 3.38Å; A228-I231 PolarHBondContact O-N 3.42Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.13Å; I231-A234 WeakPolarHBondContact O-CB 3.15Å; I231-A234 PolarHBondContact O-N 2.98Å; I231-A234 VanDerWaalsContact O-N 3.16Å; I231-S235 WeakPolarHBondContact O-CB 3.5Å; I231-S235 PolarHBondContact O-N 3.45Å; I231-S235 PolarHBondContact O-OG 3.48Å |
| 232 | A | 88.4 | Confident | 89 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 12% | 0.124 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P222 A228 R229 F230 L236 | P222-A232 HydrophobicContact CB-CB 3.62Å; A228-A232 WeakPolarHBondContact O-CB 3.29Å; A228-A232 PolarHBondContact O-N 2.89Å; R229-A232 PolarHBondContact O-N 3.33Å; F230-A232 VanDerWaalsContact C-N 3.31Å; F230-A232 PolarHBondContact O-N 3.07Å; A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.25Å |
| 233 | F | 90.1 | Very high | 89.6 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 52% | 0.522 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 172.3 | -83.6 | -65.8 | 0 | 0 | 0 | 112.5 | R229 F230 I231 L236 F237 | R229-F233 HydrophobicContact CG-CD2 4.05Å; R229-F233 HydrophobicContact CG-CE2 3.81Å; R229-F233 WeakPolarHBondContact O-CD2 3.49Å; R229-F233 PolarHBondContact O-N 3.46Å; F230-F233 PolarHBondContact O-N 2.91Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.13Å; F233-L236 PolarHBondContact O-N 2.84Å; F233-F237 WeakPolarHBondContact O-CB 3.35Å; F233-F237 PolarHBondContact O-N 3.27Å |
| 234 | A | 92.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 63.9 Ų | 63.9 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F230 I231 L236 F237 F238 W292 | F230-A234 PolarHBondContact O-N 3.19Å; I231-A234 WeakPolarHBondContact O-CB 3.15Å; I231-A234 PolarHBondContact O-N 2.98Å; I231-A234 VanDerWaalsContact O-N 3.16Å; A234-L236 VanDerWaalsContact C-N 3.34Å; A234-L236 PolarHBondContact O-N 3.41Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 2.97Å; A234-F237 VanDerWaalsContact O-N 3.16Å; A234-F238 VanDerWaalsContact O-CD2 3.27Å; A234-F238 WeakPolarHBondContact O-CD2 3.5Å; A234-F238 PolarHBondContact O-N 3.21Å; A234-W292 HydrophobicContact CB-CH2 4Å; A234-W292 HydrophobicContact CB-CZ2 3.84Å |
| 235 | S | 91.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -45 | 174 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | I231 F237 F238 I239 E296 | I231-S235 WeakPolarHBondContact O-CB 3.5Å; I231-S235 PolarHBondContact O-N 3.45Å; I231-S235 PolarHBondContact O-OG 3.48Å; S235-F237 VanDerWaalsContact C-N 3.35Å; S235-F237 PolarHBondContact O-N 3.43Å; S235-F238 PolarHBondContact O-N 3.27Å; S235-I239 WeakPolarHBondContact O-CD1 3.5Å; S235-I239 WeakPolarHBondContact O-CG1 3.37Å; S235-I239 PolarHBondContact O-N 2.78Å; S235-E296 WeakPolarHBondContact CB-OE2 3.44Å; S235-E296 PolarHBondContact OG-OE2 3.35Å |
| 236 | L | 90.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 174.8 | 176.3 | 61 | 0 | 0 | 0 | 111.9 | A232 F233 A234 I239 L240 L361 | A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.25Å; F233-L236 PolarHBondContact O-N 2.84Å; A234-L236 VanDerWaalsContact C-N 3.34Å; A234-L236 PolarHBondContact O-N 3.41Å; L236-I239 PolarHBondContact O-N 3.4Å; L236-L240 HydrophobicContact CD1-CD1 4.45Å; L236-L240 HydrophobicContact CD1-CG 4.39Å; L236-L240 HydrophobicContact CG-CD1 4.42Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L236-L240 PolarHBondContact O-N 3.15Å; L236-L361 HydrophobicContact CD1-CD2 3.28Å |
| 237 | F | 93.6 | Very high | 91.5 | Very high | 126 Ų | 126 | 53 Ų | 53 | 55% | 0.553 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.7 | -49.4 | 177 | 173 | -98.4 | 0 | 0 | 0 | 111.9 | F233 A234 S235 I239 L240 V241 | F233-F237 WeakPolarHBondContact O-CB 3.35Å; F233-F237 PolarHBondContact O-N 3.27Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 2.97Å; A234-F237 VanDerWaalsContact O-N 3.16Å; S235-F237 VanDerWaalsContact C-N 3.35Å; S235-F237 PolarHBondContact O-N 3.43Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.28Å; F237-L240 PolarHBondContact O-N 3.25Å; F237-L240 VanDerWaalsContact O-N 3.17Å; F237-V241 HydrophobicContact CD1-CG2 4.25Å; F237-V241 HydrophobicContact CD2-CG2 4.35Å; F237-V241 HydrophobicContact CE1-CG2 3.81Å; F237-V241 HydrophobicContact CE2-CG2 3.92Å; F237-V241 HydrophobicContact CZ-CG2 3.63Å; F237-V241 WeakPolarHBondContact O-CG2 3.27Å; F237-V241 PolarHBondContact O-N 3.47Å |
| 238 | F | 94.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 177.6 | -82.3 | -75.2 | 0 | 0 | 0 | 112.7 | A234 S235 S242 V288 W292 F293 | A234-F238 VanDerWaalsContact O-CD2 3.27Å; A234-F238 WeakPolarHBondContact O-CD2 3.5Å; A234-F238 PolarHBondContact O-N 3.21Å; S235-F238 PolarHBondContact O-N 3.27Å; F238-S242 WeakPolarHBondContact O-CB 3.33Å; F238-S242 PolarHBondContact O-N 2.91Å; F238-V288 HydrophobicContact CE1-CG1 4.09Å; F238-W292 HydrophobicContact CB-CG 4.18Å; F238-W292 HydrophobicContact CD1-CB 4.04Å; F238-W292 HydrophobicContact CD1-CG 4.17Å; F238-W292 HydrophobicContact CD2-CB 4.2Å; F238-W292 AromaticContact CD2-CD1 3.57Å; F238-W292 AromaticContact CD2-CD2 3.57Å; F238-W292 HydrophobicContact CD2-CD2 3.57Å; F238-W292 AromaticContact CD2-CE2 3.72Å; F238-W292 HydrophobicContact CD2-CE3 4.24Å; F238-W292 AromaticContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CG 3.49Å; F238-W292 VanDerWaalsContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CZ2 4.47Å; F238-W292 AromaticContact CD2-NE1 3.75Å; F238-W292 HydrophobicContact CE1-CB 4.18Å; F238-W292 HydrophobicContact CE1-CG 4.47Å; F238-W292 HydrophobicContact CE2-CB 4.34Å; F238-W292 AromaticContact CE2-CD2 3.66Å; F238-W292 HydrophobicContact CE2-CD2 3.66Å; F238-W292 AromaticContact CE2-CE3 3.85Å; F238-W292 HydrophobicContact CE2-CE3 3.85Å; F238-W292 AromaticContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CZ3 4.45Å; F238-W292 HydrophobicContact CG-CB 4.06Å; F238-W292 AromaticContact CG-CD1 3.6Å; F238-W292 HydrophobicContact CG-CD2 4.26Å; F238-W292 AromaticContact CG-CG 3.68Å; F238-W292 HydrophobicContact CG-CG 3.68Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.4Å; F238-W292 HydrophobicContact CZ-CE3 4.45Å; F238-W292 HydrophobicContact CZ-CG 4.33Å; F238-F293 HydrophobicContact CB-CE1 3.87Å; F238-F293 HydrophobicContact CB-CZ 4.12Å |
| 239 | I | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 172.9 | -67.4 | 160.8 | 0 | 0 | 0 | 110.5 | S235 L236 F237 S242 I243 F293 K360 L361 | S235-I239 WeakPolarHBondContact O-CD1 3.5Å; S235-I239 WeakPolarHBondContact O-CG1 3.37Å; S235-I239 PolarHBondContact O-N 2.78Å; L236-I239 PolarHBondContact O-N 3.4Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.28Å; I239-S242 PolarHBondContact O-N 3.17Å; I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.43Å; I239-I243 VanDerWaalsContact O-CG1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.35Å; I239-I243 PolarHBondContact O-N 3.29Å; I239-F293 HydrophobicContact CB-CZ 4.47Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.89Å; I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CG1-CB 4.03Å; I239-K360 HydrophobicContact CG1-CD 4.41Å; I239-L361 HydrophobicContact CB-CD2 4.17Å; I239-L361 HydrophobicContact CD1-CD2 4.18Å; I239-L361 HydrophobicContact CG2-CD1 4.47Å; I239-L361 HydrophobicContact CG2-CD2 3.59Å; I239-L361 HydrophobicContact CG2-CG 3.8Å |
| 240 | L | 92.6 | Very high | 91.7 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 178.7 | -68.2 | 175.8 | 0 | 0 | 0 | 111.9 | L236 F237 S242 I243 T244 | L236-L240 HydrophobicContact CD1-CD1 4.45Å; L236-L240 HydrophobicContact CD1-CG 4.39Å; L236-L240 HydrophobicContact CG-CD1 4.42Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L236-L240 PolarHBondContact O-N 3.15Å; F237-L240 PolarHBondContact O-N 3.25Å; F237-L240 VanDerWaalsContact O-N 3.17Å; L240-S242 VanDerWaalsContact C-N 3.25Å; L240-S242 PolarHBondContact O-N 3.16Å; L240-I243 PolarHBondContact O-N 3.43Å; L240-T244 PolarHBondContact O-N 2.87Å; L240-T244 PolarHBondContact O-OG1 2.94Å; L240-T244 VanDerWaalsContact O-OG1 3.08Å |
| 241 | V | 94.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.4 | -41.8 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | F237 T244 T245 V285 | F237-V241 HydrophobicContact CD1-CG2 4.25Å; F237-V241 HydrophobicContact CD2-CG2 4.35Å; F237-V241 HydrophobicContact CE1-CG2 3.81Å; F237-V241 HydrophobicContact CE2-CG2 3.92Å; F237-V241 HydrophobicContact CZ-CG2 3.63Å; F237-V241 WeakPolarHBondContact O-CG2 3.27Å; F237-V241 PolarHBondContact O-N 3.47Å; V241-T244 PolarHBondContact O-N 2.76Å; V241-T245 WeakPolarHBondContact O-CB 3.45Å; V241-T245 PolarHBondContact O-N 3.44Å; V241-T245 PolarHBondContact O-OG1 3.06Å; V241-V285 HydrophobicContact CG1-CG1 3.64Å |
| 242 | S | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.2 | -39.4 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 113.2 | F238 I239 L240 T245 F246 E286 R357 | F238-S242 WeakPolarHBondContact O-CB 3.33Å; F238-S242 PolarHBondContact O-N 2.91Å; I239-S242 PolarHBondContact O-N 3.17Å; L240-S242 VanDerWaalsContact C-N 3.25Å; L240-S242 PolarHBondContact O-N 3.16Å; S242-T245 PolarHBondContact O-N 3.43Å; S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.26Å; S242-E286 PolarHBondContact OG-OE2 2.86Å; S242-E286 VanDerWaalsContact OG-OE2 3.08Å; S242-R357 WeakPolarHBondContact OG-CD 3.28Å; S242-R357 VanDerWaalsContact OG-CZ 3.32Å; S242-R357 PolarHBondContact OG-NE 3.35Å; S242-R357 PolarHBondContact OG-NH1 2.99Å |
| 243 | I | 91.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 58.7 Ų | 58.7 | 20% | 0.195 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 172.4 | -66.7 | 164.2 | 0 | 0 | 0 | 110.2 | I239 L240 T245 F246 C247 R357 I358 L361 | I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.43Å; I239-I243 VanDerWaalsContact O-CG1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.35Å; I239-I243 PolarHBondContact O-N 3.29Å; L240-I243 PolarHBondContact O-N 3.43Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.22Å; I243-F246 WeakPolarHBondContact O-CB 3.21Å; I243-F246 PolarHBondContact O-N 3.46Å; I243-C247 PolarHBondContact O-N 3.07Å; I243-C247 PolarHBondContact O-SG 3.16Å; I243-C247 VanDerWaalsContact O-SG 3.32Å; I243-R357 HydrophobicContact CG1-CG 4.2Å; I243-I358 HydrophobicContact CD1-CB 4.1Å; I243-I358 HydrophobicContact CD1-CD1 4.45Å; I243-I358 HydrophobicContact CD1-CG1 3.87Å; I243-L361 HydrophobicContact CD1-CD1 4.44Å |
| 244 | T | 93.1 | Very high | 91.9 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.1 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | L240 V241 F246 C247 L248 | L240-T244 PolarHBondContact O-N 2.87Å; L240-T244 PolarHBondContact O-OG1 2.94Å; L240-T244 VanDerWaalsContact O-OG1 3.08Å; V241-T244 PolarHBondContact O-N 2.76Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.43Å; T244-C247 PolarHBondContact O-N 3.17Å; T244-L248 HydrophobicContact CG2-CD1 4.02Å; T244-L248 HydrophobicContact CG2-CG 4.25Å; T244-L248 VanDerWaalsContact O-CG 3.3Å; T244-L248 WeakPolarHBondContact O-CG 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å |
| 245 | T | 92.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | V241 S242 I243 C247 L248 E249 L282 V285 E286 | V241-T245 WeakPolarHBondContact O-CB 3.45Å; V241-T245 PolarHBondContact O-N 3.44Å; V241-T245 PolarHBondContact O-OG1 3.06Å; S242-T245 PolarHBondContact O-N 3.43Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.22Å; T245-C247 PolarHBondContact O-N 2.81Å; T245-L248 PolarHBondContact O-N 3.08Å; T245-E249 WeakPolarHBondContact O-CB 3.22Å; T245-E249 PolarHBondContact O-N 3.2Å; T245-L282 HydrophobicContact CG2-CB 4.05Å; T245-L282 HydrophobicContact CG2-CD2 4.08Å; T245-L282 WeakPolarHBondContact CG2-O 2.74Å; T245-V285 HydrophobicContact CG2-CB 4.45Å; T245-V285 HydrophobicContact CG2-CG1 4.41Å; T245-V285 WeakPolarHBondContact OG1-CG1 2.76Å; T245-E286 HydrophobicContact CG2-CB 4.27Å |
| 246 | F | 89.6 | Confident | 91.3 | Very high | 34 Ų | 34 | 61 Ų | 61 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.8 | 174.3 | -106.8 | 0 | 0 | 0 | 112.4 | S242 I243 T244 E249 R354 I355 | S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.26Å; I243-F246 WeakPolarHBondContact O-CB 3.21Å; I243-F246 PolarHBondContact O-N 3.46Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.43Å; F246-E249 PolarHBondContact O-N 2.61Å; F246-R354 HydrophobicContact CD2-CB 4.04Å; F246-R354 HydrophobicContact CE2-CB 4.16Å; F246-I355 HydrophobicContact CE1-CB 4.13Å; F246-I355 HydrophobicContact CE1-CD1 4.32Å; F246-I355 HydrophobicContact CE1-CG1 4.12Å; F246-I355 HydrophobicContact CZ-CB 4.29Å |
| 247 | C | 92.2 | Very high | 91 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 175.3 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | I243 T244 T245 E249 T250 | I243-C247 PolarHBondContact O-N 3.07Å; I243-C247 PolarHBondContact O-SG 3.16Å; I243-C247 VanDerWaalsContact O-SG 3.32Å; T244-C247 PolarHBondContact O-N 3.17Å; T245-C247 PolarHBondContact O-N 2.81Å; C247-E249 PolarHBondContact O-N 3.46Å; C247-T250 PolarHBondContact O-N 3.4Å; C247-T250 PolarHBondContact O-OG1 2.88Å |
| 248 | L | 93.6 | Very high | 90.2 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -34 | 179.7 | -65.5 | 179.4 | 0 | 0 | 0 | 112.7 | T244 T245 T250 H251 F254 L282 | T244-L248 HydrophobicContact CG2-CD1 4.02Å; T244-L248 HydrophobicContact CG2-CG 4.25Å; T244-L248 VanDerWaalsContact O-CG 3.3Å; T244-L248 WeakPolarHBondContact O-CG 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å; T245-L248 PolarHBondContact O-N 3.08Å; L248-T250 PolarHBondContact O-N 3.48Å; L248-H251 WeakPolarHBondContact O-CB 3.21Å; L248-H251 PolarHBondContact O-N 3.21Å; L248-F254 HydrophobicContact CB-CD2 4.09Å; L248-F254 HydrophobicContact CB-CE2 4.13Å; L248-F254 HydrophobicContact CD1-CE2 4.47Å; L248-F254 HydrophobicContact CD1-CZ 4.45Å; L248-F254 HydrophobicContact CD2-CD2 4.44Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.45Å; L248-F254 HydrophobicContact CG-CE2 4.33Å; L248-F254 WeakPolarHBondContact O-CD2 3.47Å; L248-L282 HydrophobicContact CB-CD1 4.17Å; L248-L282 HydrophobicContact CB-CD2 4.12Å; L248-L282 HydrophobicContact CD1-CD2 4.32Å |
| 249 | E | 89.1 | Confident | 89.3 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.6 | -27.8 | 174.5 | 172.2 | 172.6 | -163.9 | 0 | 0 | 112.2 | T245 F246 C247 N255 T278 L282 R351 R354 | T245-E249 WeakPolarHBondContact O-CB 3.22Å; T245-E249 PolarHBondContact O-N 3.2Å; F246-E249 PolarHBondContact O-N 2.61Å; C247-E249 PolarHBondContact O-N 3.46Å; E249-N255 PolarHBondContact O-ND2 3.05Å; E249-N255 PolarHBondContact O-OD1 3.27Å; E249-T278 HydrophobicContact CB-CG2 4.24Å; E249-T278 HydrophobicContact CG-CG2 3.86Å; E249-L282 HydrophobicContact CB-CD1 4.35Å; E249-R351 VanDerWaalsContact OE1-CD 3.26Å; E249-R351 WeakPolarHBondContact OE1-CD 3.49Å; E249-R351 IonicContact OE1-CZ 3.69Å; E249-R351 IonicContact OE1-NE 2.75Å; E249-R351 PolarHBondContact OE1-NE 2.91Å; E249-R351 IonicContact OE1-NH1 3.06Å; E249-R351 PolarHBondContact OE1-NH1 3.39Å; E249-R351 IonicContact OE1-NH2 2.71Å; E249-R354 IonicContact OE1-NH1 2.91Å; E249-R354 PolarHBondContact OE1-NH1 3.18Å; E249-R354 IonicContact OE2-NH1 3.13Å; E249-R354 PolarHBondContact OE2-NH1 3.23Å; E249-R354 VanDerWaalsContact OE2-NH1 3.17Å |
| 250 | T | 88.8 | Confident | 88.2 | Confident | 102 Ų | 102 | 68.7 Ų | 68.7 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -13.2 | 176.2 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | C247 L248 | C247-T250 PolarHBondContact O-N 3.4Å; C247-T250 PolarHBondContact O-OG1 2.88Å; L248-T250 PolarHBondContact O-N 3.48Å |
| 251 | H | 92.5 | Very high | 87 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79.4 | 135.6 | -175.1 | -170 | -78.2 | 0 | 0 | 0 | 110.9 | L248 A253 F254 N255 | L248-H251 WeakPolarHBondContact O-CB 3.21Å; L248-H251 PolarHBondContact O-N 3.21Å; H251-A253 VanDerWaalsContact ND1-CB 3.25Å; H251-A253 WeakPolarHBondContact ND1-CB 3.33Å; H251-A253 PolarHBondContact ND1-N 3.2Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 2.91Å; H251-A253 VanDerWaalsContact O-N 3.15Å; H251-F254 HydrophobicContact CB-CD2 4.21Å; H251-F254 PolarHBondContact O-N 3.46Å; H251-N255 PolarHBondContact O-ND2 3.41Å |
| 252 | E | 91.6 | Very high | 85.5 | Confident | 165 Ų | 165 | 70.5 Ų | 70.5 | 77% | 0.771 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -55 | -36 | -176.7 | 60.4 | -177.5 | -178.9 | 0 | 0 | 113.3 | F254 N255 | E252-F254 PolarHBondContact O-N 2.9Å; E252-N255 PolarHBondContact O-N 3.4Å; E252-N255 VanDerWaalsContact O-N 3.08Å |
| 253 | A | 91.4 | Very high | 84 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 60% | 0.595 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -60.3 | -25.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | H251 | H251-A253 VanDerWaalsContact ND1-CB 3.25Å; H251-A253 WeakPolarHBondContact ND1-CB 3.33Å; H251-A253 PolarHBondContact ND1-N 3.2Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 2.91Å; H251-A253 VanDerWaalsContact O-N 3.15Å |
| 254 | F | 91.3 | Very high | 82.6 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -102.7 | 1.8 | 178.6 | -62.6 | -82.2 | 0 | 0 | 0 | 112.9 | L248 H251 E252 T278 D279 L282 | L248-F254 HydrophobicContact CB-CD2 4.09Å; L248-F254 HydrophobicContact CB-CE2 4.13Å; L248-F254 HydrophobicContact CD1-CE2 4.47Å; L248-F254 HydrophobicContact CD1-CZ 4.45Å; L248-F254 HydrophobicContact CD2-CD2 4.44Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.45Å; L248-F254 HydrophobicContact CG-CE2 4.33Å; L248-F254 WeakPolarHBondContact O-CD2 3.47Å; H251-F254 HydrophobicContact CB-CD2 4.21Å; H251-F254 PolarHBondContact O-N 3.46Å; E252-F254 PolarHBondContact O-N 2.9Å; F254-T278 WeakPolarHBondContact O-CA 2.99Å; F254-D279 HydrophobicContact CB-CB 4.47Å; F254-D279 HydrophobicContact CD1-CB 4.39Å; F254-D279 PolarHBondContact O-N 3.15Å; F254-L282 HydrophobicContact CB-CD1 3.67Å; F254-L282 HydrophobicContact CD1-CD1 4.04Å; F254-L282 HydrophobicContact CD1-CG 4.44Å; F254-L282 HydrophobicContact CG-CD1 3.85Å |
| 255 | N | 88.7 | Confident | 81.1 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 93.5 | -178.8 | -81.7 | -38.3 | 0 | 0 | 0 | 109.2 | E249 H251 E252 I276 T278 | E249-N255 PolarHBondContact O-ND2 3.05Å; E249-N255 PolarHBondContact O-OD1 3.27Å; H251-N255 PolarHBondContact O-ND2 3.41Å; E252-N255 PolarHBondContact O-N 3.4Å; E252-N255 VanDerWaalsContact O-N 3.08Å; N255-I276 HydrophobicContact CB-CG2 3.58Å; N255-T278 PolarHBondContact OD1-OG1 3.5Å |
| 256 | I | 82.9 | Confident | 79.7 | Confident | 82 Ų | 82 | 88.7 Ų | 88.7 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120.7 | -175.5 | -56.6 | 171 | 0 | 0 | 0 | 108.7 | K258 E277 | I256-K258 HydrophobicContact CG2-CG 4.33Å; I256-K258 PolarHBondContact O-N 2.78Å; I256-E277 PolarHBondContact N-O 3.05Å; I256-E277 PolarHBondContact O-N 3.43Å |
| 257 | V | 83.1 | Confident | 77.9 | Confident | 85 Ų | 85 | 89 Ų | 89 | 52% | 0.515 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 111.8 | 174.1 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | Y274 I276 | V257-Y274 HydrophobicContact CG1-CD1 3.82Å; V257-Y274 HydrophobicContact CG1-CG 4.38Å; V257-I276 HydrophobicContact CG2-CG1 4.46Å |
| 258 | K | 77.5 | Confident | 76.5 | Confident | 99 Ų | 99 | 93 Ų | 93 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.6 | 172.9 | -68.8 | -171 | -171.7 | 163.5 | 0 | 110.8 | I256 K260 E275 E277 | I256-K258 HydrophobicContact CG2-CG 4.33Å; I256-K258 PolarHBondContact O-N 2.78Å; K258-K260 PolarHBondContact O-N 3.31Å; K258-E275 PolarHBondContact N-O 3.01Å; K258-E275 PolarHBondContact O-N 2.91Å; K258-E277 WeakPolarHBondContact CD-OE2 3.15Å; K258-E277 VanDerWaalsContact CE-OE2 3.31Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.67Å; K258-E277 PolarHBondContact NZ-OE2 2.65Å |
| 259 | N | 75 | Confident | 74.9 | Confident | 103 Ų | 103 | 93.7 Ų | 93.7 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 107.1 | 175.8 | -64.6 | -13 | 0 | 0 | 0 | 108.6 | L272 Y274 | N259-L272 HydrophobicContact CB-CD1 4.47Å; N259-L272 HydrophobicContact CB-CD2 4.4Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.27Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.24Å; N259-Y274 VanDerWaalsContact OD1-CE1 3.26Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.05Å |
| 260 | K | 68.8 | Low | 73.6 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.8 | 175.7 | -161.3 | 176.5 | -174.4 | 177.1 | 0 | 110.2 | K258 Q273 E275 | K258-K260 PolarHBondContact O-N 3.31Å; K260-Q273 PolarHBondContact N-O 3.36Å; K260-Q273 PolarHBondContact O-N 2.71Å; K260-E275 VanDerWaalsContact CD-OE2 3.27Å; K260-E275 WeakPolarHBondContact CD-OE2 3.26Å; K260-E275 IonicContact NZ-OE2 2.78Å; K260-E275 PolarHBondContact NZ-OE2 3.49Å; K260-E275 VanDerWaalsContact NZ-OE2 3.15Å |
| 261 | T | 67.1 | Low | 72.5 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 96.8 | -174.6 | -47.7 | 0 | 0 | 0 | 0 | 108.1 | V270 | T261-V270 HydrophobicContact CG2-CB 4.42Å; T261-V270 HydrophobicContact CG2-CG1 2.97Å |
| 262 | E | 63.8 | Low | 71.1 | Confident | 86 Ų | 86 | 95.7 Ų | 95.7 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.6 | 174.1 | -73.3 | -159.7 | 164.3 | 0 | 0 | 110 | V264 | E262-V264 PolarHBondContact O-N 2.75Å |
| 263 | P | 59.8 | Low | 69.9 | Low | 109 Ų | 109 | 93.1 Ų | 93.1 | 71% | 0.708 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 119.5 | 171.7 | 28.2 | -31.3 | 0 | 0 | 0 | 109.3 | I265 | P263-I265 PolarHBondContact O-N 2.92Å |
| 264 | V | 62.7 | Low | 68.8 | Low | 74 Ų | 74 | 97 Ų | 97 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 122.1 | 172.1 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | E262 N266 G267 V271 | E262-V264 PolarHBondContact O-N 2.75Å; V264-N266 PolarHBondContact O-N 2.67Å; V264-G267 PolarHBondContact O-N 2.78Å; V264-V271 HydrophobicContact CG2-CB 4.43Å; V264-V271 HydrophobicContact CG2-CG2 3.76Å |
| 265 | I | 61.2 | Low | 67.9 | Low | 167 Ų | 167 | 97 Ų | 97 | 86% | 0.856 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.2 | -172.1 | -66.3 | 171.9 | 0 | 0 | 0 | 113.8 | P263 | P263-I265 PolarHBondContact O-N 2.92Š|
| 266 | N | 62.6 | Low | 67.4 | Low | 158 Ų | 158 | 100.5 Ų | 100.5 | 85% | 0.845 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 27.3 | -176.5 | -78.4 | -4 | 0 | 0 | 0 | 116.2 | V264 | V264-N266 PolarHBondContact O-N 2.67Š|
| 267 | G | 52.9 | Low | 67.4 | Low | 40 Ų | 40 | 99.9 Ų | 99.9 | 41% | 0.412 | 54% | 0.542 | S | S | . | . | S | Bend | trans | 118.6 | 123.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V264 S269 | V264-G267 PolarHBondContact O-N 2.78Å; G267-S269 PolarHBondContact O-N 2.75Å |
| 268 | T | 61.4 | Low | 67.4 | Low | 153 Ų | 153 | 97.2 Ų | 97.2 | 94% | 0.939 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 49 | -13.4 | 162.5 | 46.5 | 0 | 0 | 0 | 0 | 120.6 | ||
| 269 | S | 60.3 | Low | 68 | Low | 76 Ų | 76 | 94.8 Ų | 94.8 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | trans | -93.1 | 111.3 | -176.8 | -57.3 | 0 | 0 | 0 | 0 | 110 | G267 | G267-S269 PolarHBondContact O-N 2.75Š| ||
| 270 | V | 62.1 | Low | 68.6 | Low | 99 Ų | 99 | 93.5 Ų | 93.5 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 108.1 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | T261 | T261-V270 HydrophobicContact CG2-CB 4.42Å; T261-V270 HydrophobicContact CG2-CG1 2.97Å |
| 271 | V | 65.7 | Low | 69.8 | Low | 80 Ų | 80 | 91.6 Ų | 91.6 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 117.6 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | V264 Q273 | V264-V271 HydrophobicContact CG2-CB 4.43Å; V264-V271 HydrophobicContact CG2-CG2 3.76Å; V271-Q273 PolarHBondContact O-N 3.42Å |
| 272 | L | 63.4 | Low | 71 | Confident | 79 Ų | 79 | 88.5 Ų | 88.5 | 41% | 0.414 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 111.5 | 171.8 | -155 | 94.9 | 0 | 0 | 0 | 107.7 | N259 Y274 | N259-L272 HydrophobicContact CB-CD1 4.47Å; N259-L272 HydrophobicContact CB-CD2 4.4Å; L272-Y274 HydrophobicContact CD2-CE1 3.86Å; L272-Y274 HydrophobicContact CD2-CE2 4.31Å |
| 273 | Q | 65.4 | Low | 72.1 | Confident | 111 Ų | 111 | 88.2 Ų | 88.2 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.4 | 175.4 | -165.7 | 169.3 | -28.5 | 0 | 0 | 108.2 | K260 V271 E275 | K260-Q273 PolarHBondContact N-O 3.36Å; K260-Q273 PolarHBondContact O-N 2.71Å; V271-Q273 PolarHBondContact O-N 3.42Å; Q273-E275 PolarHBondContact O-N 3.22Å |
| 274 | Y | 68.9 | Low | 73.7 | Confident | 155 Ų | 155 | 91.6 Ų | 91.6 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.7 | 172.3 | -60.7 | -79.8 | 0 | 0 | 0 | 108.2 | V257 N259 L272 | V257-Y274 HydrophobicContact CG1-CD1 3.82Å; V257-Y274 HydrophobicContact CG1-CG 4.38Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.27Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.24Å; N259-Y274 VanDerWaalsContact OD1-CE1 3.26Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.05Å; L272-Y274 HydrophobicContact CD2-CE1 3.86Å; L272-Y274 HydrophobicContact CD2-CE2 4.31Å |
| 275 | E | 72.1 | Confident | 75.3 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.1 | 174.5 | -167.3 | 164 | -161.6 | 0 | 0 | 107.8 | K258 K260 Q273 E277 | K258-E275 PolarHBondContact N-O 3.01Å; K258-E275 PolarHBondContact O-N 2.91Å; K260-E275 VanDerWaalsContact CD-OE2 3.27Å; K260-E275 WeakPolarHBondContact CD-OE2 3.26Å; K260-E275 IonicContact NZ-OE2 2.78Å; K260-E275 PolarHBondContact NZ-OE2 3.49Å; K260-E275 VanDerWaalsContact NZ-OE2 3.15Å; Q273-E275 PolarHBondContact O-N 3.22Å; E275-E277 HydrophobicContact CG-CG 4.39Å; E275-E277 PolarHBondContact O-N 3.01Å |
| 276 | I | 79 | Confident | 76.7 | Confident | 111 Ų | 111 | 83 Ų | 83 | 57% | 0.569 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 109.4 | 174.4 | -59.4 | 172.9 | 0 | 0 | 0 | 106.5 | N255 V257 | N255-I276 HydrophobicContact CB-CG2 3.58Å; V257-I276 HydrophobicContact CG2-CG1 4.46Å |
| 277 | E | 81.7 | Confident | 78.1 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.6 | 175.2 | -70.7 | -175.2 | -171.2 | 0 | 0 | 109.7 | I256 K258 E275 | I256-E277 PolarHBondContact N-O 3.05Å; I256-E277 PolarHBondContact O-N 3.43Å; K258-E277 WeakPolarHBondContact CD-OE2 3.15Å; K258-E277 VanDerWaalsContact CE-OE2 3.31Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.67Å; K258-E277 PolarHBondContact NZ-OE2 2.65Å; E275-E277 HydrophobicContact CG-CG 4.39Å; E275-E277 PolarHBondContact O-N 3.01Å |
| 278 | T | 84.3 | Confident | 80.1 | Confident | 29 Ų | 29 | 78.4 Ų | 78.4 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 144.4 | 173.5 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | E249 F254 N255 L282 | E249-T278 HydrophobicContact CB-CG2 4.24Å; E249-T278 HydrophobicContact CG-CG2 3.86Å; F254-T278 WeakPolarHBondContact O-CA 2.99Å; N255-T278 PolarHBondContact OD1-OG1 3.5Å; T278-L282 HydrophobicContact CG2-CB 4.2Å; T278-L282 HydrophobicContact CG2-CD1 3.86Å |
| 279 | D | 88.9 | Confident | 81.7 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | trans | -50.6 | 125.7 | 174.7 | -170.2 | -42.9 | 0 | 0 | 0 | 111.2 | F254 A281 L282 | F254-D279 HydrophobicContact CB-CB 4.47Å; F254-D279 HydrophobicContact CD1-CB 4.39Å; F254-D279 PolarHBondContact O-N 3.15Å; D279-A281 PolarHBondContact O-N 3.25Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 VanDerWaalsContact OD1-CB 3.26Å; D279-A281 WeakPolarHBondContact OD1-CB 3.42Å; D279-A281 PolarHBondContact OD1-N 2.86Å; D279-L282 PolarHBondContact O-N 3.1Å | ||
| 280 | P | 89.2 | Confident | 83.3 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.8 | -27.2 | -178.9 | 23.4 | -35.2 | 0 | 0 | 0 | 113.5 | L282 T283 Y284 | P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 3.47Å; P280-T283 WeakPolarHBondContact O-CB 3.23Å; P280-T283 PolarHBondContact O-N 3.21Å; P280-Y284 HydrophobicContact CB-CE2 4.38Å; P280-Y284 WeakPolarHBondContact O-CD2 3.1Å; P280-Y284 PolarHBondContact O-N 2.8Å |
| 281 | A | 93 | Very high | 84.9 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 45% | 0.446 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D279 T283 Y284 V285 | D279-A281 PolarHBondContact O-N 3.25Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 VanDerWaalsContact OD1-CB 3.26Å; D279-A281 WeakPolarHBondContact OD1-CB 3.42Å; D279-A281 PolarHBondContact OD1-N 2.86Å; A281-T283 VanDerWaalsContact C-N 3.34Å; A281-T283 PolarHBondContact O-N 3.4Å; A281-Y284 PolarHBondContact O-N 3.36Å; A281-V285 WeakPolarHBondContact O-CG2 2.83Å; A281-V285 PolarHBondContact O-N 3.32Å |
| 282 | L | 92.3 | Very high | 86.3 | Confident | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 177.7 | -64.2 | 179.4 | 0 | 0 | 0 | 111.3 | T245 L248 E249 F254 T278 D279 P280 V285 E286 | T245-L282 HydrophobicContact CG2-CB 4.05Å; T245-L282 HydrophobicContact CG2-CD2 4.08Å; T245-L282 WeakPolarHBondContact CG2-O 2.74Å; L248-L282 HydrophobicContact CB-CD1 4.17Å; L248-L282 HydrophobicContact CB-CD2 4.12Å; L248-L282 HydrophobicContact CD1-CD2 4.32Å; E249-L282 HydrophobicContact CB-CD1 4.35Å; F254-L282 HydrophobicContact CB-CD1 3.67Å; F254-L282 HydrophobicContact CD1-CD1 4.04Å; F254-L282 HydrophobicContact CD1-CG 4.44Å; F254-L282 HydrophobicContact CG-CD1 3.85Å; T278-L282 HydrophobicContact CG2-CB 4.2Å; T278-L282 HydrophobicContact CG2-CD1 3.86Å; D279-L282 PolarHBondContact O-N 3.1Å; P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 3.47Å; L282-V285 PolarHBondContact O-N 3.06Å; L282-E286 WeakPolarHBondContact O-CB 3.08Å; L282-E286 PolarHBondContact O-N 2.96Å |
| 283 | T | 88.1 | Confident | 87.8 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | P280 A281 G287 | P280-T283 WeakPolarHBondContact O-CB 3.23Å; P280-T283 PolarHBondContact O-N 3.21Å; A281-T283 VanDerWaalsContact C-N 3.34Å; A281-T283 PolarHBondContact O-N 3.4Å; T283-G287 PolarHBondContact O-N 2.85Å |
| 284 | Y | 92.9 | Very high | 89.2 | Confident | 179 Ų | 179 | 57.9 Ų | 57.9 | 70% | 0.702 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 175.2 | -77.1 | -68.6 | 0 | 0 | 0 | 112.2 | P280 A281 E286 G287 V288 | P280-Y284 HydrophobicContact CB-CE2 4.38Å; P280-Y284 WeakPolarHBondContact O-CD2 3.1Å; P280-Y284 PolarHBondContact O-N 2.8Å; A281-Y284 PolarHBondContact O-N 3.36Å; Y284-E286 VanDerWaalsContact C-N 3.34Å; Y284-E286 PolarHBondContact O-N 3Å; Y284-G287 PolarHBondContact O-N 3.13Å; Y284-V288 WeakPolarHBondContact O-CG2 3.44Å; Y284-V288 PolarHBondContact O-N 2.95Å |
| 285 | V | 95 | Very high | 90.4 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 178 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | V241 T245 A281 L282 G287 V288 C289 | V241-V285 HydrophobicContact CG1-CG1 3.64Å; T245-V285 HydrophobicContact CG2-CB 4.45Å; T245-V285 HydrophobicContact CG2-CG1 4.41Å; T245-V285 WeakPolarHBondContact OG1-CG1 2.76Å; A281-V285 WeakPolarHBondContact O-CG2 2.83Å; A281-V285 PolarHBondContact O-N 3.32Å; L282-V285 PolarHBondContact O-N 3.06Å; V285-G287 VanDerWaalsContact C-N 3.35Å; V285-G287 PolarHBondContact O-N 3.04Å; V285-V288 PolarHBondContact O-N 3.27Å; V285-C289 PolarHBondContact O-N 3.41Å; V285-C289 PolarHBondContact O-SG 3.19Å |
| 286 | E | 91.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.023 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.4 | 176.7 | 64.4 | -177.2 | 0 | 0 | 111.1 | S242 T245 L282 Y284 V288 C289 V290 F326 R354 R357 | S242-E286 PolarHBondContact OG-OE2 2.86Å; S242-E286 VanDerWaalsContact OG-OE2 3.08Å; T245-E286 HydrophobicContact CG2-CB 4.27Å; L282-E286 WeakPolarHBondContact O-CB 3.08Å; L282-E286 PolarHBondContact O-N 2.96Å; Y284-E286 VanDerWaalsContact C-N 3.34Å; Y284-E286 PolarHBondContact O-N 3Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 2.92Å; E286-C289 WeakPolarHBondContact O-CB 3.49Å; E286-C289 PolarHBondContact O-N 3.4Å; E286-V290 HydrophobicContact CG-CG2 4.38Å; E286-V290 WeakPolarHBondContact O-CG2 3.45Å; E286-V290 PolarHBondContact O-N 3.38Å; E286-F326 HydrophobicContact CG-CD2 4.07Å; E286-F326 HydrophobicContact CG-CE2 4.41Å; E286-R354 IonicContact OE1-NE 2.68Å; E286-R357 VanDerWaalsContact CD-NH1 3.33Å; E286-R357 IonicContact OE1-CZ 2.65Å; E286-R357 IonicContact OE1-NH1 3.8Å; E286-R357 PolarHBondContact OE1-NH1 3.31Å; E286-R357 IonicContact OE1-NH2 3.35Å; E286-R357 PolarHBondContact OE1-NH2 3.01Å; E286-R357 IonicContact OE2-CZ 2.74Å; E286-R357 IonicContact OE2-NH1 3.59Å; E286-R357 PolarHBondContact OE2-NH1 3.42Å; E286-R357 VanDerWaalsContact OE2-NH1 3.14Å |
| 287 | G | 92.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 48 Ų | 48 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.8 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T283 Y284 V285 V290 V291 | T283-G287 PolarHBondContact O-N 2.85Å; Y284-G287 PolarHBondContact O-N 3.13Å; V285-G287 VanDerWaalsContact C-N 3.35Å; V285-G287 PolarHBondContact O-N 3.04Å; G287-V290 PolarHBondContact O-N 3.2Å; G287-V291 VanDerWaalsContact O-CG2 3.27Å; G287-V291 WeakPolarHBondContact O-CG2 3.29Å; G287-V291 PolarHBondContact O-N 3.32Å |
| 288 | V | 95.3 | Very high | 92.6 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 53% | 0.527 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | F238 Y284 V285 E286 V290 V291 W292 | F238-V288 HydrophobicContact CE1-CG1 4.09Å; Y284-V288 WeakPolarHBondContact O-CG2 3.44Å; Y284-V288 PolarHBondContact O-N 2.95Å; V285-V288 PolarHBondContact O-N 3.27Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 2.92Å; V288-V290 PolarHBondContact O-N 3.39Å; V288-V291 PolarHBondContact O-N 2.89Å; V288-W292 PolarHBondContact O-N 3.48Å |
| 289 | C | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | V285 E286 W292 F293 | V285-C289 PolarHBondContact O-N 3.41Å; V285-C289 PolarHBondContact O-SG 3.19Å; E286-C289 WeakPolarHBondContact O-CB 3.49Å; E286-C289 PolarHBondContact O-N 3.4Å; C289-W292 WeakPolarHBondContact O-CB 3.3Å; C289-W292 PolarHBondContact O-N 3.43Å; C289-F293 HydrophobicContact CB-CE2 4.18Å; C289-F293 VanDerWaalsContact O-CD2 3.29Å; C289-F293 WeakPolarHBondContact O-CD2 3.36Å; C289-F293 WeakPolarHBondContact O-CG 3.31Å; C289-F293 PolarHBondContact O-N 3.42Å |
| 290 | V | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | E286 G287 V288 W292 F293 T294 F326 Y327 | E286-V290 HydrophobicContact CG-CG2 4.38Å; E286-V290 WeakPolarHBondContact O-CG2 3.45Å; E286-V290 PolarHBondContact O-N 3.38Å; G287-V290 PolarHBondContact O-N 3.2Å; V288-V290 PolarHBondContact O-N 3.39Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 2.95Å; V290-F293 PolarHBondContact O-N 3.16Å; V290-T294 VanDerWaalsContact O-CB 3.28Å; V290-T294 WeakPolarHBondContact O-CB 3.49Å; V290-T294 PolarHBondContact O-N 2.92Å; V290-T294 PolarHBondContact O-OG1 3.31Å; V290-F326 HydrophobicContact CB-CB 4.42Å; V290-F326 HydrophobicContact CB-CD1 4.13Å; V290-F326 HydrophobicContact CB-CD2 4.47Å; V290-F326 HydrophobicContact CB-CG 4.09Å; V290-F326 HydrophobicContact CG1-CB 4.01Å; V290-F326 HydrophobicContact CG1-CD1 3.62Å; V290-F326 HydrophobicContact CG1-CE1 4.27Å; V290-F326 HydrophobicContact CG1-CG 3.87Å; V290-F326 HydrophobicContact CG2-CB 3.78Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 3.99Å; V290-F326 HydrophobicContact CG2-CG 3.78Å; V290-Y327 HydrophobicContact CG1-CD2 4.44Å; V290-Y327 HydrophobicContact CG1-CE2 3.81Å |
| 291 | V | 95.2 | Very high | 93.3 | Very high | 95 Ų | 95 | 45.6 Ų | 45.6 | 58% | 0.576 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.9 | -45.6 | 173.2 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | G287 V288 T294 F295 | G287-V291 VanDerWaalsContact O-CG2 3.27Å; G287-V291 WeakPolarHBondContact O-CG2 3.29Å; G287-V291 PolarHBondContact O-N 3.32Å; V288-V291 PolarHBondContact O-N 2.89Å; V291-T294 PolarHBondContact O-N 3.45Å; V291-F295 WeakPolarHBondContact O-CB 3.48Å; V291-F295 PolarHBondContact O-N 3Å |
| 292 | W | 95.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 19% | 0.193 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 175 | 174.4 | -94 | 0 | 0 | 0 | 112.3 | A234 F238 V288 C289 V290 T294 F295 E296 | A234-W292 HydrophobicContact CB-CH2 4Å; A234-W292 HydrophobicContact CB-CZ2 3.84Å; F238-W292 HydrophobicContact CB-CG 4.18Å; F238-W292 HydrophobicContact CD1-CB 4.04Å; F238-W292 HydrophobicContact CD1-CG 4.17Å; F238-W292 HydrophobicContact CD2-CB 4.2Å; F238-W292 AromaticContact CD2-CD1 3.57Å; F238-W292 AromaticContact CD2-CD2 3.57Å; F238-W292 HydrophobicContact CD2-CD2 3.57Å; F238-W292 AromaticContact CD2-CE2 3.72Å; F238-W292 HydrophobicContact CD2-CE3 4.24Å; F238-W292 AromaticContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CG 3.49Å; F238-W292 VanDerWaalsContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CZ2 4.47Å; F238-W292 AromaticContact CD2-NE1 3.75Å; F238-W292 HydrophobicContact CE1-CB 4.18Å; F238-W292 HydrophobicContact CE1-CG 4.47Å; F238-W292 HydrophobicContact CE2-CB 4.34Å; F238-W292 AromaticContact CE2-CD2 3.66Å; F238-W292 HydrophobicContact CE2-CD2 3.66Å; F238-W292 AromaticContact CE2-CE3 3.85Å; F238-W292 HydrophobicContact CE2-CE3 3.85Å; F238-W292 AromaticContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CZ3 4.45Å; F238-W292 HydrophobicContact CG-CB 4.06Å; F238-W292 AromaticContact CG-CD1 3.6Å; F238-W292 HydrophobicContact CG-CD2 4.26Å; F238-W292 AromaticContact CG-CG 3.68Å; F238-W292 HydrophobicContact CG-CG 3.68Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.4Å; F238-W292 HydrophobicContact CZ-CE3 4.45Å; F238-W292 HydrophobicContact CZ-CG 4.33Å; V288-W292 PolarHBondContact O-N 3.48Å; C289-W292 WeakPolarHBondContact O-CB 3.3Å; C289-W292 PolarHBondContact O-N 3.43Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 2.95Å; W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.39Å; W292-F295 WeakPolarHBondContact O-CB 3.46Å; W292-F295 PolarHBondContact O-N 3.17Å; W292-E296 PolarHBondContact NE1-OE2 3.02Å; W292-E296 WeakPolarHBondContact O-CB 3.29Å; W292-E296 PolarHBondContact O-N 2.94Å |
| 293 | F | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -34.7 | 179.2 | -62.7 | -33.6 | 0 | 0 | 0 | 113 | F238 I239 C289 V290 E296 F297 I323 K360 | F238-F293 HydrophobicContact CB-CE1 3.87Å; F238-F293 HydrophobicContact CB-CZ 4.12Å; I239-F293 HydrophobicContact CB-CZ 4.47Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.89Å; C289-F293 HydrophobicContact CB-CE2 4.18Å; C289-F293 VanDerWaalsContact O-CD2 3.29Å; C289-F293 WeakPolarHBondContact O-CD2 3.36Å; C289-F293 WeakPolarHBondContact O-CG 3.31Å; C289-F293 PolarHBondContact O-N 3.42Å; V290-F293 PolarHBondContact O-N 3.16Å; F293-E296 PolarHBondContact O-N 3.31Å; F293-F297 WeakPolarHBondContact O-CB 3.37Å; F293-F297 PolarHBondContact O-N 3.4Å; F293-I323 HydrophobicContact CB-CG2 3.55Å; F293-K360 HydrophobicContact CD1-CD 4.44Å |
| 294 | T | 94.6 | Very high | 93.2 | Very high | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 174.5 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | V290 V291 W292 E296 F297 L298 Y327 | V290-T294 VanDerWaalsContact O-CB 3.28Å; V290-T294 WeakPolarHBondContact O-CB 3.49Å; V290-T294 PolarHBondContact O-N 2.92Å; V290-T294 PolarHBondContact O-OG1 3.31Å; V291-T294 PolarHBondContact O-N 3.45Å; W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.39Å; T294-E296 PolarHBondContact O-N 3.28Å; T294-F297 PolarHBondContact O-N 2.96Å; T294-L298 HydrophobicContact CG2-CD1 3.85Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.32Å; T294-L298 WeakPolarHBondContact O-CB 3.41Å; T294-L298 VanDerWaalsContact O-CG 3.23Å; T294-L298 WeakPolarHBondContact O-CG 3.33Å; T294-L298 PolarHBondContact O-N 3.39Å; T294-Y327 WeakPolarHBondContact CB-OH 3.25Å; T294-Y327 HydrophobicContact CG2-CE2 4.33Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.11Å; T294-Y327 WeakPolarHBondContact OG1-CE2 3.38Å; T294-Y327 PolarHBondContact OG1-OH 3.02Å |
| 295 | F | 94.8 | Very high | 92.9 | Very high | 104 Ų | 104 | 37.6 Ų | 37.6 | 46% | 0.456 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 175.3 | 169.9 | -103.6 | 0 | 0 | 0 | 111.4 | F219 V291 W292 F297 L298 V299 | F219-F295 HydrophobicContact CE1-CE1 4.31Å; F219-F295 AromaticContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CZ 4.34Å; V291-F295 WeakPolarHBondContact O-CB 3.48Å; V291-F295 PolarHBondContact O-N 3Å; W292-F295 WeakPolarHBondContact O-CB 3.46Å; W292-F295 PolarHBondContact O-N 3.17Å; F295-F297 VanDerWaalsContact C-N 3.34Å; F295-F297 PolarHBondContact O-N 3.49Å; F295-L298 PolarHBondContact O-N 3.35Å; F295-V299 HydrophobicContact CD2-CG2 4.05Å; F295-V299 HydrophobicContact CE1-CG2 4.35Å; F295-V299 HydrophobicContact CE2-CG2 3.67Å; F295-V299 HydrophobicContact CZ-CG2 3.84Å; F295-V299 WeakPolarHBondContact O-CB 3.49Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 3.07Å |
| 296 | E | 93.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -46.8 | 176.9 | -171.3 | -175.6 | 130.7 | 0 | 0 | 111.7 | F219 S235 W292 F293 T294 R300 K360 | F219-E296 HydrophobicContact CD1-CG 3.95Å; F219-E296 HydrophobicContact CE1-CB 4.43Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; S235-E296 WeakPolarHBondContact CB-OE2 3.44Å; S235-E296 PolarHBondContact OG-OE2 3.35Å; W292-E296 PolarHBondContact NE1-OE2 3.02Å; W292-E296 WeakPolarHBondContact O-CB 3.29Å; W292-E296 PolarHBondContact O-N 2.94Å; F293-E296 PolarHBondContact O-N 3.31Å; T294-E296 PolarHBondContact O-N 3.28Å; E296-R300 VanDerWaalsContact CD-NH2 3.32Å; E296-R300 WeakPolarHBondContact O-CG 3.46Å; E296-R300 PolarHBondContact O-N 3.45Å; E296-R300 VanDerWaalsContact O-N 3.15Å; E296-R300 IonicContact OE1-CZ 3.26Å; E296-R300 IonicContact OE1-NH1 2.75Å; E296-R300 PolarHBondContact OE1-NH1 3.35Å; E296-R300 IonicContact OE1-NH2 3.88Å; E296-R300 PolarHBondContact OE1-NH2 3.23Å; E296-K360 IonicContact OE1-NZ 3.79Å; E296-K360 PolarHBondContact OE1-NZ 3.06Å |
| 297 | F | 92.8 | Very high | 92.6 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -43 | 179.7 | -176.3 | -109.6 | 0 | 0 | 0 | 112.8 | F293 T294 F295 R300 I301 F310 D319 F320 I323 | F293-F297 WeakPolarHBondContact O-CB 3.37Å; F293-F297 PolarHBondContact O-N 3.4Å; T294-F297 PolarHBondContact O-N 2.96Å; F295-F297 VanDerWaalsContact C-N 3.34Å; F295-F297 PolarHBondContact O-N 3.49Å; F297-R300 PolarHBondContact O-N 3.38Å; F297-I301 HydrophobicContact CD1-CD1 3.67Å; F297-I301 HydrophobicContact CD2-CD1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 3.12Å; F297-I301 HydrophobicContact CE1-CG1 4.26Å; F297-I301 HydrophobicContact CE2-CD1 3.99Å; F297-I301 HydrophobicContact CE2-CG1 4.43Å; F297-I301 HydrophobicContact CG-CD1 4.31Å; F297-I301 HydrophobicContact CZ-CD1 3.31Å; F297-I301 HydrophobicContact CZ-CG1 4.2Å; F297-I301 WeakPolarHBondContact O-CG1 3.27Å; F297-I301 PolarHBondContact O-N 2.99Å; F297-F310 HydrophobicContact CD2-CZ 4.42Å; F297-F310 AromaticContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CZ 4.19Å; F297-F310 HydrophobicContact CZ-CE1 4.41Å; F297-D319 HydrophobicContact CD2-CB 3.95Å; F297-D319 HydrophobicContact CE2-CB 4.32Å; F297-F320 HydrophobicContact CE1-CB 4.35Å; F297-F320 AromaticContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CE2 4.45Å; F297-F320 HydrophobicContact CE1-CG 4.42Å; F297-F320 HydrophobicContact CE2-CB 3.86Å; F297-F320 HydrophobicContact CZ-CB 3.59Å; F297-F320 AromaticContact CZ-CD2 3.62Å; F297-F320 HydrophobicContact CZ-CD2 3.62Å; F297-F320 AromaticContact CZ-CG 3.98Å; F297-F320 HydrophobicContact CZ-CG 3.98Å; F297-I323 HydrophobicContact CD1-CD1 3.95Å; F297-I323 HydrophobicContact CE1-CD1 4.46Å; F297-I323 HydrophobicContact CG-CD1 4.38Å |
| 298 | L | 93.7 | Very high | 92.5 | Very high | 98 Ų | 98 | 51.3 Ų | 51.3 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 177.7 | -74.7 | 175.5 | 0 | 0 | 0 | 111.5 | T294 F295 R300 I301 V302 | T294-L298 HydrophobicContact CG2-CD1 3.85Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.32Å; T294-L298 WeakPolarHBondContact O-CB 3.41Å; T294-L298 VanDerWaalsContact O-CG 3.23Å; T294-L298 WeakPolarHBondContact O-CG 3.33Å; T294-L298 PolarHBondContact O-N 3.39Å; F295-L298 PolarHBondContact O-N 3.35Å; L298-R300 VanDerWaalsContact C-N 3.31Å; L298-R300 PolarHBondContact O-N 3.48Å; L298-I301 PolarHBondContact O-N 3.23Å; L298-V302 WeakPolarHBondContact O-CB 3.4Å; L298-V302 WeakPolarHBondContact O-CG2 3.42Å; L298-V302 PolarHBondContact O-N 3.38Å |
| 299 | V | 93 | Very high | 92.1 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | 176.9 | 173 | 0 | 0 | 0 | 0 | 110.2 | M215 F219 F295 V302 F303 | M215-V299 HydrophobicContact CE-CG1 3.86Å; F219-V299 HydrophobicContact CD1-CG1 4.42Å; F219-V299 HydrophobicContact CD2-CG1 3.64Å; F219-V299 HydrophobicContact CE1-CB 4.44Å; F219-V299 HydrophobicContact CE1-CG1 4.35Å; F219-V299 HydrophobicContact CE2-CB 4.43Å; F219-V299 HydrophobicContact CE2-CG1 3.57Å; F219-V299 HydrophobicContact CG-CG1 4.08Å; F219-V299 HydrophobicContact CZ-CB 4.31Å; F219-V299 HydrophobicContact CZ-CG1 3.94Å; F219-V299 HydrophobicContact CZ-CG2 4.43Å; F295-V299 HydrophobicContact CD2-CG2 4.05Å; F295-V299 HydrophobicContact CE1-CG2 4.35Å; F295-V299 HydrophobicContact CE2-CG2 3.67Å; F295-V299 HydrophobicContact CZ-CG2 3.84Å; F295-V299 WeakPolarHBondContact O-CB 3.49Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 3.07Å; V299-V302 PolarHBondContact O-N 3.22Å; V299-F303 HydrophobicContact CG1-CD2 3.72Å; V299-F303 HydrophobicContact CG1-CE2 4.01Å; V299-F303 WeakPolarHBondContact O-CD2 3.25Å; V299-F303 PolarHBondContact O-N 2.92Å |
| 300 | R | 91.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.7 | -74.3 | -178.4 | -175.2 | 139.9 | 12.9 | 113.1 | W216 F219 E220 E296 F297 L298 V302 S304 F310 D319 R363 | W216-R300 HydrophobicContact CZ3-CB 4.31Å; W216-R300 WeakPolarHBondContact CZ3-O 3.46Å; F219-R300 HydrophobicContact CB-CG 4.03Å; F219-R300 PolarHBondContact O-NE 3.39Å; F219-R300 PolarHBondContact O-NH2 2.72Å; E220-R300 IonicContact OE2-NE 2.73Å; E296-R300 VanDerWaalsContact CD-NH2 3.32Å; E296-R300 WeakPolarHBondContact O-CG 3.46Å; E296-R300 PolarHBondContact O-N 3.45Å; E296-R300 VanDerWaalsContact O-N 3.15Å; E296-R300 IonicContact OE1-CZ 3.26Å; E296-R300 IonicContact OE1-NH1 2.75Å; E296-R300 PolarHBondContact OE1-NH1 3.35Å; E296-R300 IonicContact OE1-NH2 3.88Å; E296-R300 PolarHBondContact OE1-NH2 3.23Å; F297-R300 PolarHBondContact O-N 3.38Å; L298-R300 VanDerWaalsContact C-N 3.31Å; L298-R300 PolarHBondContact O-N 3.48Å; R300-V302 PolarHBondContact O-N 3.24Å; R300-S304 VanDerWaalsContact O-CB 3.28Å; R300-S304 WeakPolarHBondContact O-CB 3.42Å; R300-S304 PolarHBondContact O-N 3.2Å; R300-F310 HydrophobicContact CB-CE2 3.74Å; R300-F310 HydrophobicContact CB-CZ 3.87Å; R300-D319 IonicContact NH1-OD2 3.2Å; R300-D319 PolarHBondContact NH1-OD2 2.84Å; R300-R363 VanDerWaalsContact NE-CZ 3.35Å; R300-R363 VanDerWaalsContact NH2-NH1 3.15Å |
| 301 | I | 91.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.1 | -74 | 174.7 | 0 | 0 | 0 | 111.5 | F297 L298 F310 | F297-I301 HydrophobicContact CD1-CD1 3.67Å; F297-I301 HydrophobicContact CD2-CD1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 3.12Å; F297-I301 HydrophobicContact CE1-CG1 4.26Å; F297-I301 HydrophobicContact CE2-CD1 3.99Å; F297-I301 HydrophobicContact CE2-CG1 4.43Å; F297-I301 HydrophobicContact CG-CD1 4.31Å; F297-I301 HydrophobicContact CZ-CD1 3.31Å; F297-I301 HydrophobicContact CZ-CG1 4.2Å; F297-I301 WeakPolarHBondContact O-CG1 3.27Å; F297-I301 PolarHBondContact O-N 2.99Å; L298-I301 PolarHBondContact O-N 3.23Å; I301-F310 HydrophobicContact CB-CE1 4.46Å; I301-F310 HydrophobicContact CD1-CE1 4.05Å; I301-F310 HydrophobicContact CG1-CD1 3.83Å; I301-F310 HydrophobicContact CG1-CE1 3.24Å; I301-F310 HydrophobicContact CG1-CZ 3.79Å |
| 302 | V | 92.5 | Very high | 91.3 | Very high | 67 Ų | 67 | 60.5 Ų | 60.5 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | -175.6 | 169.4 | 0 | 0 | 0 | 0 | 111 | W208 L298 V299 R300 | W208-V302 HydrophobicContact CH2-CG1 4.47Å; W208-V302 VanDerWaalsContact CH2-O 3.24Å; W208-V302 WeakPolarHBondContact CH2-O 3.48Å; W208-V302 HydrophobicContact CZ2-CG1 3.77Å; L298-V302 WeakPolarHBondContact O-CB 3.4Å; L298-V302 WeakPolarHBondContact O-CG2 3.42Å; L298-V302 PolarHBondContact O-N 3.38Å; V299-V302 PolarHBondContact O-N 3.22Å; R300-V302 PolarHBondContact O-N 3.24Å |
| 303 | F | 91.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -96.5 | 0 | -175.8 | -63.3 | -67.3 | 0 | 0 | 0 | 114.9 | W208 L211 Q212 M215 W216 V299 | W208-F303 HydrophobicContact CH2-CD1 4.46Å; W208-F303 HydrophobicContact CZ2-CD1 4.17Å; W208-F303 HydrophobicContact CZ2-CE1 4.13Å; L211-F303 HydrophobicContact CD2-CE1 4.33Å; L211-F303 HydrophobicContact CD2-CZ 4.37Å; L211-F303 HydrophobicContact CG-CE1 4.39Å; Q212-F303 HydrophobicContact CB-CD1 4.25Å; Q212-F303 HydrophobicContact CG-CB 4.39Å; Q212-F303 HydrophobicContact CG-CD1 4.36Å; Q212-F303 VanDerWaalsContact CG-O 3.28Å; Q212-F303 WeakPolarHBondContact CG-O 3.2Å; Q212-F303 PolarHBondContact NE2-O 2.99Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 4Å; M215-F303 HydrophobicContact CB-CD2 3.57Å; M215-F303 HydrophobicContact CB-CE1 4.23Å; M215-F303 HydrophobicContact CB-CE2 3.86Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.16Å; M215-F303 HydrophobicContact CE-CD2 4.41Å; M215-F303 HydrophobicContact CE-CE2 3.95Å; M215-F303 HydrophobicContact CG-CD1 4.46Å; M215-F303 HydrophobicContact CG-CD2 4.19Å; M215-F303 HydrophobicContact CG-CE1 4.19Å; M215-F303 HydrophobicContact CG-CE2 3.94Å; M215-F303 HydrophobicContact CG-CG 4.44Å; M215-F303 HydrophobicContact CG-CZ 3.92Å; W216-F303 HydrophobicContact CB-CB 4.48Å; V299-F303 HydrophobicContact CG1-CD2 3.72Å; V299-F303 HydrophobicContact CG1-CE2 4.01Å; V299-F303 WeakPolarHBondContact O-CD2 3.25Å; V299-F303 PolarHBondContact O-N 2.92Å |
| 304 | S | 87.9 | Confident | 90.3 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | trans | -61.4 | 135 | 175 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | Q212 R300 N306 | Q212-S304 PolarHBondContact NE2-O 3.06Å; R300-S304 VanDerWaalsContact O-CB 3.28Å; R300-S304 WeakPolarHBondContact O-CB 3.42Å; R300-S304 PolarHBondContact O-N 3.2Å; S304-N306 PolarHBondContact OG-N 3.26Å; S304-N306 PolarHBondContact OG-O 3.14Å | ||
| 305 | P | 86.9 | Confident | 89.7 | Confident | 64 Ų | 64 | 67 Ų | 67 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -65.2 | -43.1 | 177 | 25.5 | -32.8 | 0 | 0 | 0 | 111.8 | ||
| 306 | N | 89.4 | Confident | 89.4 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | trans | -125.6 | 99.4 | -175.6 | -70.2 | -30.4 | 0 | 0 | 0 | 110.9 | S304 L308 E309 F310 | S304-N306 PolarHBondContact OG-N 3.26Å; S304-N306 PolarHBondContact OG-O 3.14Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.85Å; N306-E309 HydrophobicContact CB-CB 3.78Å; N306-E309 PolarHBondContact ND2-OE2 3.03Å; N306-E309 VanDerWaalsContact ND2-OE2 3.09Å; N306-E309 PolarHBondContact O-N 3.49Å; N306-F310 PolarHBondContact O-N 3.29Å | ||
| 307 | K | 89.9 | Confident | 89.2 | Confident | 134 Ų | 134 | 65.8 Ų | 65.8 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.1 | -33.7 | -177.3 | -62 | -178.6 | -178.9 | -178 | 0 | 113.8 | F310 I311 | K307-F310 WeakPolarHBondContact O-CB 3.29Å; K307-F310 PolarHBondContact O-N 2.96Å; K307-I311 VanDerWaalsContact O-CG1 3.28Å; K307-I311 WeakPolarHBondContact O-CG1 3.3Å; K307-I311 PolarHBondContact O-N 3.37Å |
| 308 | L | 90.4 | Very high | 88.9 | Confident | 138 Ų | 138 | 66.2 Ų | 66.2 | 72% | 0.723 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.9 | -40.4 | 178.2 | -70.7 | 174.1 | 0 | 0 | 0 | 112.2 | N306 F310 I311 K312 | N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.85Å; L308-F310 VanDerWaalsContact C-N 3.33Å; L308-I311 PolarHBondContact O-N 3.35Å; L308-K312 WeakPolarHBondContact O-CG 3.32Å; L308-K312 PolarHBondContact O-N 3.45Å; L308-K312 VanDerWaalsContact O-N 3.07Å |
| 309 | E | 88.1 | Confident | 88.6 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 174.6 | -173.8 | 172.8 | -169.3 | 0 | 0 | 110.6 | T171 N306 I311 K312 N313 | T171-E309 WeakPolarHBondContact CG2-OE1 3.44Å; N306-E309 HydrophobicContact CB-CB 3.78Å; N306-E309 PolarHBondContact ND2-OE2 3.03Å; N306-E309 VanDerWaalsContact ND2-OE2 3.09Å; N306-E309 PolarHBondContact O-N 3.49Å; E309-I311 PolarHBondContact O-N 3.31Å; E309-K312 PolarHBondContact O-N 3Å; E309-N313 PolarHBondContact O-N 3.2Å; E309-N313 VanDerWaalsContact O-N 3.07Å |
| 310 | F | 88.4 | Confident | 88.5 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 4% | 0.044 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.8 | -48.1 | 173.1 | -175 | -88.4 | 0 | 0 | 0 | 112.4 | W216 F297 R300 I301 N306 K307 L308 K312 N313 N316 | W216-F310 AromaticContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CE2 4.11Å; W216-F310 HydrophobicContact CZ3-CD2 4.06Å; W216-F310 HydrophobicContact CZ3-CE2 4.11Å; F297-F310 HydrophobicContact CD2-CZ 4.42Å; F297-F310 AromaticContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CZ 4.19Å; F297-F310 HydrophobicContact CZ-CE1 4.41Å; R300-F310 HydrophobicContact CB-CE2 3.74Å; R300-F310 HydrophobicContact CB-CZ 3.87Å; I301-F310 HydrophobicContact CB-CE1 4.46Å; I301-F310 HydrophobicContact CD1-CE1 4.05Å; I301-F310 HydrophobicContact CG1-CD1 3.83Å; I301-F310 HydrophobicContact CG1-CE1 3.24Å; I301-F310 HydrophobicContact CG1-CZ 3.79Å; N306-F310 PolarHBondContact O-N 3.29Å; K307-F310 WeakPolarHBondContact O-CB 3.29Å; K307-F310 PolarHBondContact O-N 2.96Å; L308-F310 VanDerWaalsContact C-N 3.33Å; F310-K312 VanDerWaalsContact C-N 3.33Å; F310-K312 PolarHBondContact O-N 3.02Å; F310-N313 PolarHBondContact O-N 3.1Å; F310-N316 HydrophobicContact CD1-CB 4.21Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.34Å; F310-N316 HydrophobicContact CE1-CB 3.78Å; F310-N316 HydrophobicContact CE2-CB 4.12Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.35Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.41Å; F310-N316 HydrophobicContact CZ-CB 3.74Å; F310-N316 VanDerWaalsContact CZ-CG 3.43Å; F310-N316 VanDerWaalsContact O-CB 3.31Å; F310-N316 WeakPolarHBondContact O-CB 3.15Å; F310-N316 PolarHBondContact O-ND2 2.91Å |
| 311 | I | 90.4 | Very high | 88.3 | Confident | 113 Ų | 113 | 67.3 Ų | 67.3 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68 | -32 | -179.8 | -68.5 | 166.1 | 0 | 0 | 0 | 111.8 | K307 L308 E309 N313 I317 | K307-I311 VanDerWaalsContact O-CG1 3.28Å; K307-I311 WeakPolarHBondContact O-CG1 3.3Å; K307-I311 PolarHBondContact O-N 3.37Å; L308-I311 PolarHBondContact O-N 3.35Å; E309-I311 PolarHBondContact O-N 3.31Å; I311-N313 VanDerWaalsContact C-N 3.35Å; I311-I317 WeakPolarHBondContact O-CD1 3.29Å; I311-I317 VanDerWaalsContact O-CG1 3.3Å; I311-I317 WeakPolarHBondContact O-CG1 3.29Å |
| 312 | K | 88.2 | Confident | 88.1 | Confident | 175 Ų | 175 | 64.8 Ų | 64.8 | 76% | 0.761 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -76.8 | -19.1 | 177.5 | -74.8 | 179.1 | 175.3 | -178 | 0 | 113.7 | L308 E309 F310 L314 | L308-K312 WeakPolarHBondContact O-CG 3.32Å; L308-K312 PolarHBondContact O-N 3.45Å; L308-K312 VanDerWaalsContact O-N 3.07Å; E309-K312 PolarHBondContact O-N 3Å; F310-K312 VanDerWaalsContact C-N 3.33Å; F310-K312 PolarHBondContact O-N 3.02Å; K312-L314 PolarHBondContact O-N 3.28Å |
| 313 | N | 83.7 | Confident | 88 | Confident | 56 Ų | 56 | 62 Ų | 62 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | trans | -72.1 | 121.6 | -178.5 | -176.3 | -18.6 | 0 | 0 | 0 | 111.1 | E309 F310 I311 L315 N316 I317 | E309-N313 PolarHBondContact O-N 3.2Å; E309-N313 VanDerWaalsContact O-N 3.07Å; F310-N313 PolarHBondContact O-N 3.1Å; I311-N313 VanDerWaalsContact C-N 3.35Å; N313-L315 PolarHBondContact O-N 3.44Å; N313-L315 PolarHBondContact OD1-N 3.37Å; N313-N316 HydrophobicContact CB-CB 4.44Å; N313-N316 WeakPolarHBondContact CB-ND2 3.45Å; N313-N316 PolarHBondContact O-N 3Å; N313-I317 PolarHBondContact O-N 3.2Å | ||
| 314 | L | 84.2 | Confident | 87.8 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 61% | 0.607 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -53.6 | -38.1 | -178.7 | -177.6 | 64.7 | 0 | 0 | 0 | 112.9 | K312 N316 I317 I318 | K312-L314 PolarHBondContact O-N 3.28Å; L314-N316 VanDerWaalsContact C-N 3.31Å; L314-N316 PolarHBondContact O-N 3.45Å; L314-I317 PolarHBondContact O-N 2.84Å; L314-I318 HydrophobicContact CD1-CD1 4.41Å; L314-I318 HydrophobicContact CG-CD1 4.02Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 2.96Å |
| 315 | L | 82.3 | Confident | 87.6 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 179.8 | -61.3 | -179.6 | 0 | 0 | 0 | 111.8 | N313 I318 D319 T362 | N313-L315 PolarHBondContact O-N 3.44Å; N313-L315 PolarHBondContact OD1-N 3.37Å; L315-I318 PolarHBondContact O-N 3.42Å; L315-D319 PolarHBondContact O-N 2.58Å; L315-T362 VanDerWaalsContact CD2-OG1 3.24Å; L315-T362 WeakPolarHBondContact CD2-OG1 3.24Å |
| 316 | N | 88 | Confident | 87.6 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.6 | -31.4 | 178.9 | -61.2 | -30.6 | 0 | 0 | 0 | 111.9 | F310 N313 L314 D319 F320 | F310-N316 HydrophobicContact CD1-CB 4.21Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.34Å; F310-N316 HydrophobicContact CE1-CB 3.78Å; F310-N316 HydrophobicContact CE2-CB 4.12Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.35Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.41Å; F310-N316 HydrophobicContact CZ-CB 3.74Å; F310-N316 VanDerWaalsContact CZ-CG 3.43Å; F310-N316 VanDerWaalsContact O-CB 3.31Å; F310-N316 WeakPolarHBondContact O-CB 3.15Å; F310-N316 PolarHBondContact O-ND2 2.91Å; N313-N316 HydrophobicContact CB-CB 4.44Å; N313-N316 WeakPolarHBondContact CB-ND2 3.45Å; N313-N316 PolarHBondContact O-N 3Å; L314-N316 VanDerWaalsContact C-N 3.31Å; L314-N316 PolarHBondContact O-N 3.45Å; N316-D319 WeakPolarHBondContact O-CB 3.44Å; N316-D319 PolarHBondContact O-N 3.06Å; N316-F320 PolarHBondContact O-N 3.28Å |
| 317 | I | 88.4 | Confident | 87.5 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 170.9 | -63.9 | 171 | 0 | 0 | 0 | 109.8 | I311 N313 L314 D319 F320 V321 | I311-I317 WeakPolarHBondContact O-CD1 3.29Å; I311-I317 VanDerWaalsContact O-CG1 3.3Å; I311-I317 WeakPolarHBondContact O-CG1 3.29Å; N313-I317 PolarHBondContact O-N 3.2Å; L314-I317 PolarHBondContact O-N 2.84Å; I317-D319 VanDerWaalsContact C-N 3.32Å; I317-D319 PolarHBondContact O-N 3.11Å; I317-F320 PolarHBondContact O-N 3.38Å; I317-V321 HydrophobicContact CG2-CG2 4.18Å; I317-V321 WeakPolarHBondContact O-CB 3.31Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.16Å; I317-V321 PolarHBondContact O-N 2.96Å |
| 318 | I | 86.5 | Confident | 87.2 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 175.4 | -71.9 | 165.6 | 0 | 0 | 0 | 110.6 | L314 L315 F320 V321 A322 F359 | L314-I318 HydrophobicContact CD1-CD1 4.41Å; L314-I318 HydrophobicContact CG-CD1 4.02Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 2.96Å; L315-I318 PolarHBondContact O-N 3.42Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.08Å; I318-V321 PolarHBondContact O-N 3.26Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 3.29Å; I318-F359 HydrophobicContact CD1-CB 4.03Å; I318-F359 HydrophobicContact CG2-CB 3.59Å |
| 319 | D | 88.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 176.1 | -79.7 | -6 | 0 | 0 | 0 | 112.5 | F297 R300 L315 N316 I317 K360 | F297-D319 HydrophobicContact CD2-CB 3.95Å; F297-D319 HydrophobicContact CE2-CB 4.32Å; R300-D319 IonicContact NH1-OD2 3.2Å; R300-D319 PolarHBondContact NH1-OD2 2.84Å; L315-D319 PolarHBondContact O-N 2.58Å; N316-D319 WeakPolarHBondContact O-CB 3.44Å; N316-D319 PolarHBondContact O-N 3.06Å; I317-D319 VanDerWaalsContact C-N 3.32Å; I317-D319 PolarHBondContact O-N 3.11Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.09Å; D319-K360 IonicContact OD1-NZ 2.72Å; D319-K360 PolarHBondContact OD1-NZ 3.09Å; D319-K360 IonicContact OD2-NZ 3.39Å; D319-K360 PolarHBondContact OD2-NZ 3.49Å |
| 320 | F | 90.4 | Very high | 86.4 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.8 | -47.9 | 178.3 | 179.5 | -110.8 | 0 | 0 | 0 | 112.4 | F297 N316 I317 I318 A322 I323 L324 | F297-F320 HydrophobicContact CE1-CB 4.35Å; F297-F320 AromaticContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CE2 4.45Å; F297-F320 HydrophobicContact CE1-CG 4.42Å; F297-F320 HydrophobicContact CE2-CB 3.86Å; F297-F320 HydrophobicContact CZ-CB 3.59Å; F297-F320 AromaticContact CZ-CD2 3.62Å; F297-F320 HydrophobicContact CZ-CD2 3.62Å; F297-F320 AromaticContact CZ-CG 3.98Å; F297-F320 HydrophobicContact CZ-CG 3.98Å; N316-F320 PolarHBondContact O-N 3.28Å; I317-F320 PolarHBondContact O-N 3.38Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.08Å; F320-A322 PolarHBondContact O-N 3.05Å; F320-I323 WeakPolarHBondContact O-CG1 3.43Å; F320-I323 PolarHBondContact O-N 3.22Å; F320-L324 HydrophobicContact CE1-CD2 4.48Å; F320-L324 HydrophobicContact CZ-CD1 4.25Å; F320-L324 PolarHBondContact O-N 2.89Å; F320-L324 VanDerWaalsContact O-N 3.12Å |
| 321 | V | 88 | Confident | 86.1 | Confident | 40 Ų | 40 | 58 Ų | 58 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -28.9 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | I317 I318 P325 V353 L356 | I317-V321 HydrophobicContact CG2-CG2 4.18Å; I317-V321 WeakPolarHBondContact O-CB 3.31Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.16Å; I317-V321 PolarHBondContact O-N 2.96Å; I318-V321 PolarHBondContact O-N 3.26Å; V321-P325 WeakPolarHBondContact O-CD 3.42Å; V321-V353 HydrophobicContact CG1-CG1 3.33Å; V321-L356 HydrophobicContact CG1-CD1 3.82Å |
| 322 | A | 87 | Confident | 85.5 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.8 | -33.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I318 F320 R357 K360 | I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 3.29Å; F320-A322 PolarHBondContact O-N 3.05Å; A322-R357 HydrophobicContact CB-CB 3.81Å; A322-K360 HydrophobicContact CB-CD 4.37Å |
| 323 | I | 89.1 | Confident | 84.8 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -88.8 | -24.7 | 179.3 | 61.8 | 170.2 | 0 | 0 | 0 | 113 | F293 F297 F320 F326 Y327 | F293-I323 HydrophobicContact CB-CG2 3.55Å; F297-I323 HydrophobicContact CD1-CD1 3.95Å; F297-I323 HydrophobicContact CE1-CD1 4.46Å; F297-I323 HydrophobicContact CG-CD1 4.38Å; F320-I323 WeakPolarHBondContact O-CG1 3.43Å; F320-I323 PolarHBondContact O-N 3.22Å; I323-F326 PolarHBondContact O-N 3.48Å; I323-Y327 HydrophobicContact CB-CE2 4.42Å; I323-Y327 HydrophobicContact CD1-CE2 4.48Å; I323-Y327 WeakPolarHBondContact O-CD2 3.24Å |
| 324 | L | 87.8 | Confident | 84.1 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.7 | -44.2 | -173.7 | -178.1 | 68.6 | 0 | 0 | 0 | 114.1 | F320 F326 Y327 L328 | F320-L324 HydrophobicContact CE1-CD2 4.48Å; F320-L324 HydrophobicContact CZ-CD1 4.25Å; F320-L324 PolarHBondContact O-N 2.89Å; F320-L324 VanDerWaalsContact O-N 3.12Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.4Å; L324-Y327 PolarHBondContact O-N 2.74Å; L324-L328 HydrophobicContact CD1-CD1 4.15Å; L324-L328 HydrophobicContact CD1-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CG 3.97Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.76Å; L324-L328 HydrophobicContact CG-CG 4.02Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 2.94Å |
| 325 | P | 83.6 | Confident | 83.6 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -37.5 | -178.4 | -27.9 | 35.3 | 0 | 0 | 0 | 114 | V321 E329 V350 V353 R354 | V321-P325 WeakPolarHBondContact O-CD 3.42Å; P325-E329 WeakPolarHBondContact O-CB 3.28Å; P325-E329 PolarHBondContact O-N 3.27Å; P325-V350 HydrophobicContact CB-CG1 4.07Å; P325-V350 HydrophobicContact CG-CG1 4.02Å; P325-V353 HydrophobicContact CG-CB 4.05Å; P325-V353 HydrophobicContact CG-CG1 4.24Å; P325-R354 HydrophobicContact CB-CG 4.07Å; P325-R354 HydrophobicContact CG-CG 4.31Å |
| 326 | F | 86.6 | Confident | 82.8 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.6 | -47 | -179.8 | -177.5 | -88.9 | 0 | 0 | 0 | 111.4 | E286 V290 I323 L324 L328 E329 V330 | E286-F326 HydrophobicContact CG-CD2 4.07Å; E286-F326 HydrophobicContact CG-CE2 4.41Å; V290-F326 HydrophobicContact CB-CB 4.42Å; V290-F326 HydrophobicContact CB-CD1 4.13Å; V290-F326 HydrophobicContact CB-CD2 4.47Å; V290-F326 HydrophobicContact CB-CG 4.09Å; V290-F326 HydrophobicContact CG1-CB 4.01Å; V290-F326 HydrophobicContact CG1-CD1 3.62Å; V290-F326 HydrophobicContact CG1-CE1 4.27Å; V290-F326 HydrophobicContact CG1-CG 3.87Å; V290-F326 HydrophobicContact CG2-CB 3.78Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 3.99Å; V290-F326 HydrophobicContact CG2-CG 3.78Å; I323-F326 PolarHBondContact O-N 3.48Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.4Å; F326-L328 VanDerWaalsContact C-N 3.33Å; F326-L328 PolarHBondContact O-N 3.46Å; F326-E329 PolarHBondContact O-N 3.37Å; F326-V330 HydrophobicContact CD1-CG2 4.24Å; F326-V330 HydrophobicContact CE1-CG2 3.89Å; F326-V330 HydrophobicContact CZ-CG2 4.17Å; F326-V330 WeakPolarHBondContact O-CG2 3.32Å; F326-V330 PolarHBondContact O-N 3.24Å |
| 327 | Y | 88.4 | Confident | 82.1 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 177.8 | -74.5 | -74 | 0 | 0 | 0 | 112.8 | V290 T294 I323 L324 G331 | V290-Y327 HydrophobicContact CG1-CD2 4.44Å; V290-Y327 HydrophobicContact CG1-CE2 3.81Å; T294-Y327 WeakPolarHBondContact CB-OH 3.25Å; T294-Y327 HydrophobicContact CG2-CE2 4.33Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.11Å; T294-Y327 WeakPolarHBondContact OG1-CE2 3.38Å; T294-Y327 PolarHBondContact OG1-OH 3.02Å; I323-Y327 HydrophobicContact CB-CE2 4.42Å; I323-Y327 HydrophobicContact CD1-CE2 4.48Å; I323-Y327 WeakPolarHBondContact O-CD2 3.24Å; L324-Y327 PolarHBondContact O-N 2.74Å; Y327-G331 PolarHBondContact O-N 2.82Å |
| 328 | L | 83.7 | Confident | 81.4 | Confident | 62 Ų | 62 | 61 Ų | 61 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 173.6 | -71.7 | 179.5 | 0 | 0 | 0 | 111.4 | L324 F326 G331 L332 L347 V350 | L324-L328 HydrophobicContact CD1-CD1 4.15Å; L324-L328 HydrophobicContact CD1-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CG 3.97Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.76Å; L324-L328 HydrophobicContact CG-CG 4.02Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 2.94Å; F326-L328 VanDerWaalsContact C-N 3.33Å; F326-L328 PolarHBondContact O-N 3.46Å; L328-G331 PolarHBondContact O-N 3.4Å; L328-L332 HydrophobicContact CB-CD1 4.47Å; L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CD1 3.45Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 2.96Å; L328-L347 HydrophobicContact CB-CD1 4.34Å; L328-L347 HydrophobicContact CB-CD2 3.78Å; L328-L347 HydrophobicContact CD1-CD2 4.04Å; L328-V350 HydrophobicContact CD1-CG1 4.42Å |
| 329 | E | 78.7 | Confident | 80.8 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 29% | 0.29 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 177.5 | -173.7 | 168.5 | -158.6 | 0 | 0 | 111.7 | P325 F326 L332 S333 R351 R354 | P325-E329 WeakPolarHBondContact O-CB 3.28Å; P325-E329 PolarHBondContact O-N 3.27Å; F326-E329 PolarHBondContact O-N 3.37Å; E329-L332 PolarHBondContact O-N 3.28Å; E329-S333 VanDerWaalsContact O-CB 3.26Å; E329-S333 WeakPolarHBondContact O-CB 3.4Å; E329-S333 PolarHBondContact O-N 3.25Å; E329-S333 PolarHBondContact O-OG 3.43Å; E329-R351 IonicContact OE1-CZ 3.36Å; E329-R351 IonicContact OE1-NH2 3.49Å; E329-R351 PolarHBondContact OE1-NH2 3.47Å; E329-R351 IonicContact OE2-NH2 3.15Å; E329-R354 IonicContact OE2-CZ 3.46Å; E329-R354 IonicContact OE2-NH2 3.91Å; E329-R354 PolarHBondContact OE2-NH2 2.92Å |
| 330 | V | 82 | Confident | 80 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | F326 L332 S333 | F326-V330 HydrophobicContact CD1-CG2 4.24Å; F326-V330 HydrophobicContact CE1-CG2 3.89Å; F326-V330 HydrophobicContact CZ-CG2 4.17Å; F326-V330 WeakPolarHBondContact O-CG2 3.32Å; F326-V330 PolarHBondContact O-N 3.24Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.12Å; V330-S333 PolarHBondContact O-N 2.89Å; V330-S333 PolarHBondContact O-OG 3.07Å |
| 331 | G | 81.8 | Confident | 79.2 | Confident | 47 Ų | 47 | 64.3 Ų | 64.3 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y327 L328 | Y327-G331 PolarHBondContact O-N 2.82Å; L328-G331 PolarHBondContact O-N 3.4Å |
| 332 | L | 78 | Confident | 78.5 | Confident | 32 Ų | 32 | 68 Ų | 68 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -85.8 | -26.5 | -180 | -71.5 | 159.5 | 0 | 0 | 0 | 113.1 | L328 E329 V330 G334 L335 V343 L344 L347 | L328-L332 HydrophobicContact CB-CD1 4.47Å; L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CD1 3.45Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 2.96Å; E329-L332 PolarHBondContact O-N 3.28Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.12Å; L332-G334 PolarHBondContact O-N 3.35Å; L332-L335 HydrophobicContact CD2-CD1 3.9Å; L332-L335 PolarHBondContact O-N 3.16Å; L332-L335 VanDerWaalsContact O-N 3.1Å; L332-V343 HydrophobicContact CD1-CG1 3.53Å; L332-V343 HydrophobicContact CD2-CG1 4.04Å; L332-V343 HydrophobicContact CG-CG1 4.42Å; L332-L344 HydrophobicContact CB-CD2 4.07Å; L332-L344 HydrophobicContact CB-CG 4.37Å; L332-L347 HydrophobicContact CB-CD1 3.88Å; L332-L347 HydrophobicContact CD1-CD1 3.26Å; L332-L347 HydrophobicContact CD1-CD2 4.04Å; L332-L347 HydrophobicContact CD1-CG 3.84Å; L332-L347 HydrophobicContact CG-CD1 4.16Å |
| 333 | S | 73.8 | Confident | 77.9 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.4 | -26.6 | 175.7 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | E329 V330 | E329-S333 VanDerWaalsContact O-CB 3.26Å; E329-S333 WeakPolarHBondContact O-CB 3.4Å; E329-S333 PolarHBondContact O-N 3.25Å; E329-S333 PolarHBondContact O-OG 3.43Å; V330-S333 PolarHBondContact O-N 2.89Å; V330-S333 PolarHBondContact O-OG 3.07Å |
| 334 | G | 69.7 | Low | 76.9 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -11.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | L332 | L332-G334 PolarHBondContact O-N 3.35Š|
| 335 | L | 72.5 | Confident | 76.1 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | trans | -90.7 | 109.3 | -178.8 | -74.2 | 152.4 | 0 | 0 | 0 | 108.9 | L332 S337 A340 | L332-L335 HydrophobicContact CD2-CD1 3.9Å; L332-L335 PolarHBondContact O-N 3.16Å; L332-L335 VanDerWaalsContact O-N 3.1Å; L335-S337 PolarHBondContact O-N 3.3Å; L335-S337 VanDerWaalsContact O-N 3.17Å; L335-A340 HydrophobicContact CB-CB 3.64Å; L335-A340 WeakPolarHBondContact O-CB 3.1Å | ||
| 336 | S | 66.5 | Low | 75.6 | Confident | 124 Ų | 124 | 78.6 Ų | 78.6 | 87% | 0.867 | 46% | 0.459 | S | S | * | . | trans | -77.4 | 8.2 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 337 | S | 72.4 | Confident | 74.7 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 40% | 0.399 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -78 | 153.3 | -173.6 | 73.5 | 0 | 0 | 0 | 0 | 111.8 | L335 A339 A340 K341 | L335-S337 PolarHBondContact O-N 3.3Å; L335-S337 VanDerWaalsContact O-N 3.17Å; S337-A339 PolarHBondContact O-N 3.1Å; S337-A340 WeakPolarHBondContact O-CA 3.36Å; S337-A340 WeakPolarHBondContact O-CB 3.29Å; S337-A340 PolarHBondContact O-N 2.78Å; S337-A340 PolarHBondContact OG-N 3.31Å; S337-A340 VanDerWaalsContact OG-N 3.13Å; S337-K341 PolarHBondContact O-N 3.13Å |
| 338 | K | 74.2 | Confident | 73.8 | Confident | 174 Ų | 174 | 81 Ų | 81 | 76% | 0.757 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.3 | -36.1 | 173.6 | -170.5 | 151.6 | -176.6 | 169.4 | 0 | 111.9 | A340 K341 D342 | K338-A340 VanDerWaalsContact C-N 3.31Å; K338-A340 PolarHBondContact O-N 3.17Å; K338-K341 PolarHBondContact O-N 3.5Å; K338-D342 PolarHBondContact O-N 2.92Å |
| 339 | A | 74.6 | Confident | 73.3 | Confident | 62 Ų | 62 | 82.5 Ų | 82.5 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S337 K341 D342 V343 | S337-A339 PolarHBondContact O-N 3.1Å; A339-K341 VanDerWaalsContact C-N 3.34Å; A339-K341 PolarHBondContact O-N 3.02Å; A339-D342 PolarHBondContact O-N 3.29Å; A339-V343 WeakPolarHBondContact O-CB 3.21Å; A339-V343 WeakPolarHBondContact O-CG2 3.34Å; A339-V343 PolarHBondContact O-N 2.92Å |
| 340 | A | 71.4 | Confident | 73.1 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 3% | 0.025 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L335 S337 K338 V343 L344 | L335-A340 HydrophobicContact CB-CB 3.64Å; L335-A340 WeakPolarHBondContact O-CB 3.1Å; S337-A340 WeakPolarHBondContact O-CA 3.36Å; S337-A340 WeakPolarHBondContact O-CB 3.29Å; S337-A340 PolarHBondContact O-N 2.78Å; S337-A340 PolarHBondContact OG-N 3.31Å; S337-A340 VanDerWaalsContact OG-N 3.13Å; K338-A340 VanDerWaalsContact C-N 3.31Å; K338-A340 PolarHBondContact O-N 3.17Å; A340-V343 PolarHBondContact O-N 3.39Å; A340-L344 VanDerWaalsContact O-CB 3.23Å; A340-L344 WeakPolarHBondContact O-CB 3.39Å; A340-L344 WeakPolarHBondContact O-CD1 3.49Å; A340-L344 WeakPolarHBondContact O-CG 3.04Å; A340-L344 PolarHBondContact O-N 3.19Å |
| 341 | K | 72.4 | Confident | 72.9 | Confident | 135 Ų | 135 | 80 Ų | 80 | 59% | 0.587 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 174.3 | -68.9 | -171.4 | 177 | -170.5 | 0 | 112.5 | S337 K338 A339 L344 G345 | S337-K341 PolarHBondContact O-N 3.13Å; K338-K341 PolarHBondContact O-N 3.5Å; A339-K341 VanDerWaalsContact C-N 3.34Å; A339-K341 PolarHBondContact O-N 3.02Å; K341-L344 PolarHBondContact O-N 3.04Å; K341-G345 PolarHBondContact O-N 3.38Å |
| 342 | D | 74.7 | Confident | 72.8 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 63% | 0.626 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 176.9 | -68.5 | -16.7 | 0 | 0 | 0 | 111.2 | K338 A339 G345 F346 | K338-D342 PolarHBondContact O-N 2.92Å; A339-D342 PolarHBondContact O-N 3.29Å; D342-G345 PolarHBondContact O-N 3.21Å; D342-F346 PolarHBondContact O-N 3.34Å |
| 343 | V | 73.1 | Confident | 73 | Confident | 60 Ų | 60 | 84.7 Ų | 84.7 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 176 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L332 A339 A340 G345 F346 L347 | L332-V343 HydrophobicContact CD1-CG1 3.53Å; L332-V343 HydrophobicContact CD2-CG1 4.04Å; L332-V343 HydrophobicContact CG-CG1 4.42Å; A339-V343 WeakPolarHBondContact O-CB 3.21Å; A339-V343 WeakPolarHBondContact O-CG2 3.34Å; A339-V343 PolarHBondContact O-N 2.92Å; A340-V343 PolarHBondContact O-N 3.39Å; V343-G345 VanDerWaalsContact C-N 3.31Å; V343-G345 PolarHBondContact O-N 3.48Å; V343-F346 CarbonylContact O-C 3.34Å; V343-F346 WeakPolarHBondContact O-CB 3.4Å; V343-F346 PolarHBondContact O-N 2.98Å; V343-F346 VanDerWaalsContact O-N 3.16Å; V343-L347 HydrophobicContact CG1-CG 4.37Å; V343-L347 WeakPolarHBondContact O-CG 3.39Å; V343-L347 PolarHBondContact O-N 3.32Å |
| 344 | L | 69.1 | Low | 73.5 | Confident | 59 Ų | 59 | 81 Ų | 81 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 174.4 | -76.9 | 162.1 | 0 | 0 | 0 | 111.6 | L332 A340 K341 L347 R348 | L332-L344 HydrophobicContact CB-CD2 4.07Å; L332-L344 HydrophobicContact CB-CG 4.37Å; A340-L344 VanDerWaalsContact O-CB 3.23Å; A340-L344 WeakPolarHBondContact O-CB 3.39Å; A340-L344 WeakPolarHBondContact O-CD1 3.49Å; A340-L344 WeakPolarHBondContact O-CG 3.04Å; A340-L344 PolarHBondContact O-N 3.19Å; K341-L344 PolarHBondContact O-N 3.04Å; L344-L347 HydrophobicContact CD2-CD1 4.01Å; L344-L347 WeakPolarHBondContact O-CB 3.3Å; L344-L347 PolarHBondContact O-N 3.01Å; L344-R348 PolarHBondContact O-N 2.93Å; L344-R348 VanDerWaalsContact O-N 3.08Å |
| 345 | G | 71 | Confident | 74.2 | Confident | 42 Ų | 42 | 81.1 Ų | 81.1 | 43% | 0.433 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K341 D342 V343 L347 R348 | K341-G345 PolarHBondContact O-N 3.38Å; D342-G345 PolarHBondContact O-N 3.21Å; V343-G345 VanDerWaalsContact C-N 3.31Å; V343-G345 PolarHBondContact O-N 3.48Å; G345-L347 VanDerWaalsContact C-N 3.34Å; G345-R348 VanDerWaalsContact O-CB 3.31Å; G345-R348 WeakPolarHBondContact O-CB 3.15Å; G345-R348 PolarHBondContact O-N 3.14Å |
| 346 | F | 72.9 | Confident | 74.8 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 60% | 0.601 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66 | -35 | 173.1 | -173.2 | -99.9 | 0 | 0 | 0 | 112.4 | D342 V343 R348 V349 V350 | D342-F346 PolarHBondContact O-N 3.34Å; V343-F346 CarbonylContact O-C 3.34Å; V343-F346 WeakPolarHBondContact O-CB 3.4Å; V343-F346 PolarHBondContact O-N 2.98Å; V343-F346 VanDerWaalsContact O-N 3.16Å; F346-R348 PolarHBondContact O-N 2.74Å; F346-V349 WeakPolarHBondContact O-CA 3.19Å; F346-V349 VanDerWaalsContact O-CB 3.25Å; F346-V349 WeakPolarHBondContact O-CB 3.14Å; F346-V349 PolarHBondContact O-N 2.64Å; F346-V350 HydrophobicContact CD1-CG2 3.97Å; F346-V350 HydrophobicContact CE1-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å |
| 347 | L | 67.5 | Low | 75.6 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.1 | -26.7 | 175.6 | -75.2 | -175.6 | 0 | 0 | 0 | 112.6 | L328 L332 V343 L344 G345 V349 V350 R351 | L328-L347 HydrophobicContact CB-CD1 4.34Å; L328-L347 HydrophobicContact CB-CD2 3.78Å; L328-L347 HydrophobicContact CD1-CD2 4.04Å; L332-L347 HydrophobicContact CB-CD1 3.88Å; L332-L347 HydrophobicContact CD1-CD1 3.26Å; L332-L347 HydrophobicContact CD1-CD2 4.04Å; L332-L347 HydrophobicContact CD1-CG 3.84Å; L332-L347 HydrophobicContact CG-CD1 4.16Å; V343-L347 HydrophobicContact CG1-CG 4.37Å; V343-L347 WeakPolarHBondContact O-CG 3.39Å; V343-L347 PolarHBondContact O-N 3.32Å; L344-L347 HydrophobicContact CD2-CD1 4.01Å; L344-L347 WeakPolarHBondContact O-CB 3.3Å; L344-L347 PolarHBondContact O-N 3.01Å; G345-L347 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 2.96Å; L347-V350 HydrophobicContact CD2-CB 4.04Å; L347-V350 HydrophobicContact CD2-CG1 4.36Å; L347-V350 HydrophobicContact CD2-CG2 3.98Å; L347-V350 CarbonylContact O-C 3.58Å; L347-V350 WeakPolarHBondContact O-CA 3.24Å; L347-V350 WeakPolarHBondContact O-CB 3.4Å; L347-V350 PolarHBondContact O-N 2.75Å; L347-R351 PolarHBondContact O-N 2.92Å |
| 348 | R | 70.4 | Confident | 76.2 | Confident | 176 Ų | 176 | 74.3 Ų | 74.3 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.4 | -34.4 | 170.3 | -166.7 | 178.4 | -69.6 | 174.1 | -3.2 | 111.1 | L344 G345 F346 R351 | L344-R348 PolarHBondContact O-N 2.93Å; L344-R348 VanDerWaalsContact O-N 3.08Å; G345-R348 VanDerWaalsContact O-CB 3.31Å; G345-R348 WeakPolarHBondContact O-CB 3.15Å; G345-R348 PolarHBondContact O-N 3.14Å; F346-R348 PolarHBondContact O-N 2.74Å; R348-R351 WeakPolarHBondContact O-CB 3.09Å; R348-R351 PolarHBondContact O-N 3.12Å |
| 349 | V | 72.8 | Confident | 76.7 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 58% | 0.576 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -72.5 | -37.7 | 170 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | F346 L347 R351 F352 | F346-V349 WeakPolarHBondContact O-CA 3.19Å; F346-V349 VanDerWaalsContact O-CB 3.25Å; F346-V349 WeakPolarHBondContact O-CB 3.14Å; F346-V349 PolarHBondContact O-N 2.64Å; L347-V349 PolarHBondContact O-N 2.96Å; V349-R351 PolarHBondContact O-N 3.05Å; V349-F352 WeakPolarHBondContact O-CB 3.36Å; V349-F352 PolarHBondContact O-N 2.94Å |
| 350 | V | 74.7 | Confident | 77.1 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.4 | -23.7 | 172.2 | -177 | 0 | 0 | 0 | 0 | 111.9 | P325 L328 F346 L347 F352 V353 | P325-V350 HydrophobicContact CB-CG1 4.07Å; P325-V350 HydrophobicContact CG-CG1 4.02Å; L328-V350 HydrophobicContact CD1-CG1 4.42Å; F346-V350 HydrophobicContact CD1-CG2 3.97Å; F346-V350 HydrophobicContact CE1-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å; L347-V350 HydrophobicContact CD2-CB 4.04Å; L347-V350 HydrophobicContact CD2-CG1 4.36Å; L347-V350 HydrophobicContact CD2-CG2 3.98Å; L347-V350 CarbonylContact O-C 3.58Å; L347-V350 WeakPolarHBondContact O-CA 3.24Å; L347-V350 WeakPolarHBondContact O-CB 3.4Å; L347-V350 PolarHBondContact O-N 2.75Å; V350-F352 PolarHBondContact O-N 2.7Å; V350-V353 HydrophobicContact CG1-CG2 4.23Å; V350-V353 WeakPolarHBondContact O-CB 3.1Å; V350-V353 WeakPolarHBondContact O-CG2 3.45Å; V350-V353 PolarHBondContact O-N 3.5Å |
| 351 | R | 77.1 | Confident | 77.5 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 24% | 0.242 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -59.8 | -28.8 | 171.7 | -161 | -179.8 | -77.4 | 178.2 | 0.7 | 111.8 | E249 E329 L347 R348 V349 V353 R354 | E249-R351 VanDerWaalsContact OE1-CD 3.26Å; E249-R351 WeakPolarHBondContact OE1-CD 3.49Å; E249-R351 IonicContact OE1-CZ 3.69Å; E249-R351 IonicContact OE1-NE 2.75Å; E249-R351 PolarHBondContact OE1-NE 2.91Å; E249-R351 IonicContact OE1-NH1 3.06Å; E249-R351 PolarHBondContact OE1-NH1 3.39Å; E249-R351 IonicContact OE1-NH2 2.71Å; E329-R351 IonicContact OE1-CZ 3.36Å; E329-R351 IonicContact OE1-NH2 3.49Å; E329-R351 PolarHBondContact OE1-NH2 3.47Å; E329-R351 IonicContact OE2-NH2 3.15Å; L347-R351 PolarHBondContact O-N 2.92Å; R348-R351 WeakPolarHBondContact O-CB 3.09Å; R348-R351 PolarHBondContact O-N 3.12Å; V349-R351 PolarHBondContact O-N 3.05Å; R351-V353 PolarHBondContact O-N 3.28Å; R351-R354 HydrophobicContact CG-CG 4.33Å; R351-R354 WeakPolarHBondContact O-CB 3.47Å; R351-R354 WeakPolarHBondContact O-CG 3.49Å; R351-R354 PolarHBondContact O-N 2.91Å; R351-R354 VanDerWaalsContact O-N 3.09Å |
| 352 | F | 80.2 | Confident | 77.9 | Confident | 138 Ų | 138 | 64.1 Ų | 64.1 | 61% | 0.605 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -61.3 | -32.6 | 172.3 | 177.8 | -102 | 0 | 0 | 0 | 112.3 | V349 V350 R354 I355 | V349-F352 WeakPolarHBondContact O-CB 3.36Å; V349-F352 PolarHBondContact O-N 2.94Å; V350-F352 PolarHBondContact O-N 2.7Å; F352-R354 PolarHBondContact O-N 3.16Å; F352-I355 HydrophobicContact CE1-CG2 4.31Å; F352-I355 HydrophobicContact CE2-CG2 4.38Å; F352-I355 HydrophobicContact CZ-CG2 4.19Å; F352-I355 WeakPolarHBondContact O-CB 3.35Å; F352-I355 WeakPolarHBondContact O-CG2 3.26Å; F352-I355 PolarHBondContact O-N 3.1Å |
| 353 | V | 82.5 | Confident | 78 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -59.8 | -22 | 177 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | V321 P325 V350 R351 I355 L356 | V321-V353 HydrophobicContact CG1-CG1 3.33Å; P325-V353 HydrophobicContact CG-CB 4.05Å; P325-V353 HydrophobicContact CG-CG1 4.24Å; V350-V353 HydrophobicContact CG1-CG2 4.23Å; V350-V353 WeakPolarHBondContact O-CB 3.1Å; V350-V353 WeakPolarHBondContact O-CG2 3.45Å; V350-V353 PolarHBondContact O-N 3.5Å; R351-V353 PolarHBondContact O-N 3.28Å; V353-I355 PolarHBondContact O-N 2.94Å; V353-I355 VanDerWaalsContact O-N 3.11Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.29Å; V353-L356 VanDerWaalsContact O-CB 3.27Å; V353-L356 WeakPolarHBondContact O-CB 3.29Å; V353-L356 WeakPolarHBondContact O-CG 3.47Å; V353-L356 PolarHBondContact O-N 2.85Å |
| 354 | R | 82.8 | Confident | 78.3 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -54.3 | -29.1 | 171.9 | -66.1 | -171.5 | 175.3 | 163.2 | 3.7 | 112.3 | F246 E249 E286 P325 E329 R351 F352 L356 R357 | F246-R354 HydrophobicContact CD2-CB 4.04Å; F246-R354 HydrophobicContact CE2-CB 4.16Å; E249-R354 IonicContact OE1-NH1 2.91Å; E249-R354 PolarHBondContact OE1-NH1 3.18Å; E249-R354 IonicContact OE2-NH1 3.13Å; E249-R354 PolarHBondContact OE2-NH1 3.23Å; E249-R354 VanDerWaalsContact OE2-NH1 3.17Å; E286-R354 IonicContact OE1-NE 2.68Å; P325-R354 HydrophobicContact CB-CG 4.07Å; P325-R354 HydrophobicContact CG-CG 4.31Å; E329-R354 IonicContact OE2-CZ 3.46Å; E329-R354 IonicContact OE2-NH2 3.91Å; E329-R354 PolarHBondContact OE2-NH2 2.92Å; R351-R354 HydrophobicContact CG-CG 4.33Å; R351-R354 WeakPolarHBondContact O-CB 3.47Å; R351-R354 WeakPolarHBondContact O-CG 3.49Å; R351-R354 PolarHBondContact O-N 2.91Å; R351-R354 VanDerWaalsContact O-N 3.09Å; F352-R354 PolarHBondContact O-N 3.16Å; R354-L356 PolarHBondContact O-N 2.61Å; R354-R357 WeakPolarHBondContact O-CB 3.13Å; R354-R357 WeakPolarHBondContact O-CD 3.27Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 2.86Å; R354-R357 PolarHBondContact O-NE 3.4Å |
| 355 | I | 84.8 | Confident | 78.9 | Confident | 70 Ų | 70 | 62.1 Ų | 62.1 | 36% | 0.359 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -60.5 | -28.6 | 177 | -157.1 | 170.3 | 0 | 0 | 0 | 112 | F246 F352 V353 R357 I358 | F246-I355 HydrophobicContact CE1-CB 4.13Å; F246-I355 HydrophobicContact CE1-CD1 4.32Å; F246-I355 HydrophobicContact CE1-CG1 4.12Å; F246-I355 HydrophobicContact CZ-CB 4.29Å; F352-I355 HydrophobicContact CE1-CG2 4.31Å; F352-I355 HydrophobicContact CE2-CG2 4.38Å; F352-I355 HydrophobicContact CZ-CG2 4.19Å; F352-I355 WeakPolarHBondContact O-CB 3.35Å; F352-I355 WeakPolarHBondContact O-CG2 3.26Å; F352-I355 PolarHBondContact O-N 3.1Å; V353-I355 PolarHBondContact O-N 2.94Å; V353-I355 VanDerWaalsContact O-N 3.11Å; I355-R357 PolarHBondContact O-N 2.95Å; I355-R357 VanDerWaalsContact O-N 3.1Å; I355-I358 WeakPolarHBondContact O-CB 3.24Å; I355-I358 WeakPolarHBondContact O-CG2 2.96Å; I355-I358 PolarHBondContact O-N 2.9Å |
| 356 | L | 84.6 | Confident | 79.3 | Confident | 58 Ų | 58 | 61 Ų | 61 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -64.3 | -17.2 | -179.7 | -59.2 | -175.3 | 0 | 0 | 0 | 113 | V321 V353 R354 I358 F359 | V321-L356 HydrophobicContact CG1-CD1 3.82Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.29Å; V353-L356 VanDerWaalsContact O-CB 3.27Å; V353-L356 WeakPolarHBondContact O-CB 3.29Å; V353-L356 WeakPolarHBondContact O-CG 3.47Å; V353-L356 PolarHBondContact O-N 2.85Å; R354-L356 PolarHBondContact O-N 2.61Å; L356-I358 PolarHBondContact O-N 3.47Å; L356-I358 VanDerWaalsContact O-N 3.12Å; L356-F359 HydrophobicContact CB-CD2 4.27Å; L356-F359 HydrophobicContact CD2-CD2 3.92Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.44Å; L356-F359 WeakPolarHBondContact O-CD2 3.37Å; L356-F359 PolarHBondContact O-N 3.01Å |
| 357 | R | 83.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -59.3 | -21.8 | 172.4 | 80.6 | -172.8 | 63.6 | -148.9 | 5.5 | 112.7 | S242 I243 E286 A322 R354 I355 F359 K360 | S242-R357 WeakPolarHBondContact OG-CD 3.28Å; S242-R357 VanDerWaalsContact OG-CZ 3.32Å; S242-R357 PolarHBondContact OG-NE 3.35Å; S242-R357 PolarHBondContact OG-NH1 2.99Å; I243-R357 HydrophobicContact CG1-CG 4.2Å; E286-R357 VanDerWaalsContact CD-NH1 3.33Å; E286-R357 IonicContact OE1-CZ 2.65Å; E286-R357 IonicContact OE1-NH1 3.8Å; E286-R357 PolarHBondContact OE1-NH1 3.31Å; E286-R357 IonicContact OE1-NH2 3.35Å; E286-R357 PolarHBondContact OE1-NH2 3.01Å; E286-R357 IonicContact OE2-CZ 2.74Å; E286-R357 IonicContact OE2-NH1 3.59Å; E286-R357 PolarHBondContact OE2-NH1 3.42Å; E286-R357 VanDerWaalsContact OE2-NH1 3.14Å; A322-R357 HydrophobicContact CB-CB 3.81Å; R354-R357 WeakPolarHBondContact O-CB 3.13Å; R354-R357 WeakPolarHBondContact O-CD 3.27Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 2.86Å; R354-R357 PolarHBondContact O-NE 3.4Å; I355-R357 PolarHBondContact O-N 2.95Å; I355-R357 VanDerWaalsContact O-N 3.1Å; R357-F359 PolarHBondContact O-N 3.34Å; R357-K360 VanDerWaalsContact O-CB 3.24Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 WeakPolarHBondContact O-CG 3.34Å; R357-K360 PolarHBondContact O-N 3.23Å |
| 358 | I | 86.3 | Confident | 80.7 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -58.4 | -32.7 | 171.7 | -162.3 | 167.8 | 0 | 0 | 0 | 111.9 | I243 I355 L356 K360 L361 | I243-I358 HydrophobicContact CD1-CB 4.1Å; I243-I358 HydrophobicContact CD1-CD1 4.45Å; I243-I358 HydrophobicContact CD1-CG1 3.87Å; I355-I358 WeakPolarHBondContact O-CB 3.24Å; I355-I358 WeakPolarHBondContact O-CG2 2.96Å; I355-I358 PolarHBondContact O-N 2.9Å; L356-I358 PolarHBondContact O-N 3.47Å; L356-I358 VanDerWaalsContact O-N 3.12Å; I358-K360 PolarHBondContact O-N 2.93Å; I358-L361 HydrophobicContact CG1-CD1 4.07Å; I358-L361 VanDerWaalsContact O-CB 3.24Å; I358-L361 WeakPolarHBondContact O-CB 3.11Å; I358-L361 VanDerWaalsContact O-CG 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.47Å; I358-L361 PolarHBondContact O-N 3.49Å |
| 359 | F | 84.7 | Confident | 81.3 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -70.1 | -12.5 | 177.3 | -66.1 | -70.3 | 0 | 0 | 0 | 112.7 | I318 L356 R357 L361 T362 | I318-F359 HydrophobicContact CD1-CB 4.03Å; I318-F359 HydrophobicContact CG2-CB 3.59Å; L356-F359 HydrophobicContact CB-CD2 4.27Å; L356-F359 HydrophobicContact CD2-CD2 3.92Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.44Å; L356-F359 WeakPolarHBondContact O-CD2 3.37Å; L356-F359 PolarHBondContact O-N 3.01Å; R357-F359 PolarHBondContact O-N 3.34Å; F359-L361 PolarHBondContact O-N 3.43Å; F359-T362 HydrophobicContact CB-CG2 4.3Å; F359-T362 HydrophobicContact CD1-CG2 4.14Å; F359-T362 VanDerWaalsContact O-CB 3.24Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.33Å; F359-T362 PolarHBondContact O-N 2.75Å; F359-T362 PolarHBondContact O-OG1 2.87Å |
| 360 | K | 82 | Confident | 82 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -60.3 | -25.5 | 168 | -62.1 | -173.2 | 57.8 | 80 | 0 | 111.9 | I239 F293 E296 D319 A322 R357 I358 T362 R363 | I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CG1-CB 4.03Å; I239-K360 HydrophobicContact CG1-CD 4.41Å; F293-K360 HydrophobicContact CD1-CD 4.44Å; E296-K360 IonicContact OE1-NZ 3.79Å; E296-K360 PolarHBondContact OE1-NZ 3.06Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.09Å; D319-K360 IonicContact OD1-NZ 2.72Å; D319-K360 PolarHBondContact OD1-NZ 3.09Å; D319-K360 IonicContact OD2-NZ 3.39Å; D319-K360 PolarHBondContact OD2-NZ 3.49Å; A322-K360 HydrophobicContact CB-CD 4.37Å; R357-K360 VanDerWaalsContact O-CB 3.24Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 WeakPolarHBondContact O-CG 3.34Å; R357-K360 PolarHBondContact O-N 3.23Å; I358-K360 PolarHBondContact O-N 2.93Å; K360-T362 PolarHBondContact O-N 3.2Å; K360-R363 WeakPolarHBondContact O-CB 3.49Å; K360-R363 PolarHBondContact O-N 3.17Å |
| 361 | L | 80.5 | Confident | 82.7 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -62.1 | -25.3 | 173.9 | -62.8 | 177.3 | 0 | 0 | 0 | 112.7 | L236 I239 I243 I358 F359 R363 H364 F365 L368 | L236-L361 HydrophobicContact CD1-CD2 3.28Å; I239-L361 HydrophobicContact CB-CD2 4.17Å; I239-L361 HydrophobicContact CD1-CD2 4.18Å; I239-L361 HydrophobicContact CG2-CD1 4.47Å; I239-L361 HydrophobicContact CG2-CD2 3.59Å; I239-L361 HydrophobicContact CG2-CG 3.8Å; I243-L361 HydrophobicContact CD1-CD1 4.44Å; I358-L361 HydrophobicContact CG1-CD1 4.07Å; I358-L361 VanDerWaalsContact O-CB 3.24Å; I358-L361 WeakPolarHBondContact O-CB 3.11Å; I358-L361 VanDerWaalsContact O-CG 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.47Å; I358-L361 PolarHBondContact O-N 3.49Å; F359-L361 PolarHBondContact O-N 3.43Å; L361-R363 PolarHBondContact O-N 3.22Å; L361-H364 PolarHBondContact O-N 2.99Å; L361-F365 PolarHBondContact O-N 3.13Å; L361-F365 VanDerWaalsContact O-N 3.07Å; L361-L368 HydrophobicContact CB-CD1 4.33Å |
| 362 | T | 80.7 | Confident | 83.2 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -60.2 | -31.1 | -178.9 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | L315 F359 K360 H364 L368 R369 | L315-T362 VanDerWaalsContact CD2-OG1 3.24Å; L315-T362 WeakPolarHBondContact CD2-OG1 3.24Å; F359-T362 HydrophobicContact CB-CG2 4.3Å; F359-T362 HydrophobicContact CD1-CG2 4.14Å; F359-T362 VanDerWaalsContact O-CB 3.24Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.33Å; F359-T362 PolarHBondContact O-N 2.75Å; F359-T362 PolarHBondContact O-OG1 2.87Å; K360-T362 PolarHBondContact O-N 3.2Å; T362-H364 VanDerWaalsContact C-N 3.29Å; T362-H364 PolarHBondContact O-N 3.17Å; T362-L368 HydrophobicContact CG2-CB 4.08Å; T362-L368 HydrophobicContact CG2-CD1 4.06Å; T362-R369 WeakPolarHBondContact O-CG 3.26Å |
| 363 | R | 77.6 | Confident | 83.4 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -59.5 | -38.6 | 174 | 163 | 179.2 | -72 | -102.3 | -7.3 | 112.7 | F219 E220 R300 K360 L361 | F219-R363 PolarHBondContact O-NH1 2.75Å; E220-R363 IonicContact OE1-CZ 3.91Å; E220-R363 IonicContact OE1-NH1 3.86Å; E220-R363 IonicContact OE1-NH2 3.48Å; E220-R363 PolarHBondContact OE1-NH2 2.93Å; E220-R363 IonicContact OE2-CZ 2.61Å; E220-R363 VanDerWaalsContact OE2-CZ 3.26Å; E220-R363 IonicContact OE2-NH1 3.22Å; E220-R363 PolarHBondContact OE2-NH1 3.49Å; E220-R363 IonicContact OE2-NH2 3.87Å; E220-R363 PolarHBondContact OE2-NH2 3.43Å; R300-R363 VanDerWaalsContact NE-CZ 3.35Å; R300-R363 VanDerWaalsContact NH2-NH1 3.15Å; K360-R363 WeakPolarHBondContact O-CB 3.49Å; K360-R363 PolarHBondContact O-N 3.17Å; L361-R363 PolarHBondContact O-N 3.22Å |
| 364 | H | 78 | Confident | 83.8 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -26 | -172.4 | -60.9 | -68.7 | 0 | 0 | 0 | 112.6 | L361 T362 | L361-H364 PolarHBondContact O-N 2.99Å; T362-H364 VanDerWaalsContact C-N 3.29Å; T362-H364 PolarHBondContact O-N 3.17Å |
| 365 | F | 82.1 | Confident | 84.2 | Confident | 140 Ų | 140 | 45.9 Ų | 45.9 | 61% | 0.614 | 24% | 0.236 | S | C | * | . | trans | -100.8 | 108 | -178.4 | -115.5 | -93.2 | 0 | 0 | 0 | 112.2 | L361 G367 L368 R369 | L361-F365 PolarHBondContact O-N 3.13Å; L361-F365 VanDerWaalsContact O-N 3.07Å; F365-G367 PolarHBondContact O-N 2.94Å; F365-L368 HydrophobicContact CB-CB 4.2Å; F365-L368 HydrophobicContact CB-CD1 3.88Å; F365-L368 HydrophobicContact CB-CG 4.03Å; F365-L368 PolarHBondContact O-N 3.23Å; F365-R369 PolarHBondContact O-N 3.35Å | ||
| 366 | V | 80.3 | Confident | 84.5 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.6 | -42.4 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | L368 R369 V370 M484 | V366-L368 VanDerWaalsContact C-N 3.31Å; V366-L368 PolarHBondContact O-N 3.27Å; V366-R369 WeakPolarHBondContact O-CB 3.2Å; V366-R369 PolarHBondContact O-N 3.47Å; V366-R369 VanDerWaalsContact O-N 3.14Å; V366-V370 HydrophobicContact CG1-CG2 4.38Å; V366-V370 WeakPolarHBondContact O-CG2 3.45Å; V366-V370 PolarHBondContact O-N 3.02Å; V366-M484 HydrophobicContact CB-CE 4.31Å; V366-M484 HydrophobicContact CG1-CE 3.71Å |
| 367 | G | 84.5 | Confident | 84.7 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -35.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F365 L371 | F365-G367 PolarHBondContact O-N 2.94Å; G367-L371 WeakPolarHBondContact O-CB 3.46Å; G367-L371 PolarHBondContact O-N 3.4Å |
| 368 | L | 85.2 | Confident | 85.1 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.3 | -35.1 | 175.6 | -73.5 | 175.4 | 0 | 0 | 0 | 111.8 | L361 T362 F365 V366 L371 G372 | L361-L368 HydrophobicContact CB-CD1 4.33Å; T362-L368 HydrophobicContact CG2-CB 4.08Å; T362-L368 HydrophobicContact CG2-CD1 4.06Å; F365-L368 HydrophobicContact CB-CB 4.2Å; F365-L368 HydrophobicContact CB-CD1 3.88Å; F365-L368 HydrophobicContact CB-CG 4.03Å; F365-L368 PolarHBondContact O-N 3.23Å; V366-L368 VanDerWaalsContact C-N 3.31Å; V366-L368 PolarHBondContact O-N 3.27Å; L368-L371 HydrophobicContact CD2-CD2 4.42Å; L368-L371 PolarHBondContact O-N 3.43Å; L368-G372 PolarHBondContact O-N 2.94Å |
| 369 | R | 82.7 | Confident | 85.5 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -52.2 | 172.8 | -57.1 | -173.5 | -57.5 | -170.8 | 4.8 | 110.1 | T362 F365 V366 L371 G372 H373 | T362-R369 WeakPolarHBondContact O-CG 3.26Å; F365-R369 PolarHBondContact O-N 3.35Å; V366-R369 WeakPolarHBondContact O-CB 3.2Å; V366-R369 PolarHBondContact O-N 3.47Å; V366-R369 VanDerWaalsContact O-N 3.14Å; R369-L371 VanDerWaalsContact C-N 3.27Å; R369-L371 PolarHBondContact O-N 2.84Å; R369-G372 WeakPolarHBondContact O-CA 3.42Å; R369-G372 PolarHBondContact O-N 3.09Å; R369-H373 PolarHBondContact O-CE1 3.18Å; R369-H373 PolarHBondContact O-N 3.31Å; R369-H373 VanDerWaalsContact O-N 3.11Å; R369-H373 PolarHBondContact O-ND1 2.88Å; R369-H373 PolarHBondContact O-NE2 3.43Å; R369-H373 VanDerWaalsContact O-NE2 3.15Å |
| 370 | V | 87.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.1 | -46.9 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V366 G372 H373 T374 F476 Y480 A483 | V366-V370 HydrophobicContact CG1-CG2 4.38Å; V366-V370 WeakPolarHBondContact O-CG2 3.45Å; V366-V370 PolarHBondContact O-N 3.02Å; V370-G372 VanDerWaalsContact C-N 3.32Å; V370-G372 PolarHBondContact O-N 3.18Å; V370-H373 PolarHBondContact O-N 2.74Å; V370-T374 PolarHBondContact O-N 3.42Å; V370-T374 PolarHBondContact O-OG1 3.39Å; V370-T374 VanDerWaalsContact O-OG1 3.08Å; V370-F476 HydrophobicContact CG1-CD2 4.25Å; V370-F476 HydrophobicContact CG1-CE2 3.99Å; V370-Y480 HydrophobicContact CG1-CD2 4.45Å; V370-A483 HydrophobicContact CG2-CB 3.62Å |
| 371 | L | 90.3 | Very high | 86.5 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56 | -46.7 | 175.9 | 179.4 | 63 | 0 | 0 | 0 | 111.4 | G367 L368 R369 H373 T374 L375 F476 | G367-L371 WeakPolarHBondContact O-CB 3.46Å; G367-L371 PolarHBondContact O-N 3.4Å; L368-L371 HydrophobicContact CD2-CD2 4.42Å; L368-L371 PolarHBondContact O-N 3.43Å; R369-L371 VanDerWaalsContact C-N 3.27Å; R369-L371 PolarHBondContact O-N 2.84Å; L371-H373 VanDerWaalsContact C-N 3.26Å; L371-H373 PolarHBondContact O-N 2.85Å; L371-T374 WeakPolarHBondContact O-CB 3.39Å; L371-T374 PolarHBondContact O-N 3.08Å; L371-L375 HydrophobicContact CD1-CG 4.33Å; L371-L375 HydrophobicContact CG-CD1 4.37Å; L371-L375 HydrophobicContact CG-CG 4.41Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.3Å; L371-L375 PolarHBondContact O-N 3.05Å; L371-F476 HydrophobicContact CB-CE2 4.17Å; L371-F476 HydrophobicContact CD1-CD2 4.31Å; L371-F476 HydrophobicContact CD1-CE2 4.34Å |
| 372 | G | 86.8 | Confident | 87.2 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.3 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L368 R369 V370 R376 | L368-G372 PolarHBondContact O-N 2.94Å; R369-G372 WeakPolarHBondContact O-CA 3.42Å; R369-G372 PolarHBondContact O-N 3.09Å; V370-G372 VanDerWaalsContact C-N 3.32Å; V370-G372 PolarHBondContact O-N 3.18Å; G372-R376 PolarHBondContact O-N 3.5Å; G372-R376 VanDerWaalsContact O-N 3.07Å |
| 373 | H | 84.8 | Confident | 88 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 7% | 0.069 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.9 | -41 | 178.1 | -52.9 | -6.8 | 0 | 0 | 0 | 110.9 | F169 R369 V370 L371 L375 R376 A377 | F169-H373 AromaticContact CD1-CE1 3.44Å; F169-H373 VanDerWaalsContact CD1-CE1 3.44Å; F169-H373 WeakPolarHBondContact CD1-CE1 3.47Å; F169-H373 AromaticContact CD1-NE2 3.5Å; F169-H373 AromaticContact CD2-CD2 3.42Å; F169-H373 VanDerWaalsContact CD2-CD2 3.42Å; F169-H373 WeakPolarHBondContact CD2-CD2 3.47Å; F169-H373 AromaticContact CD2-CE1 3.08Å; F169-H373 WeakPolarHBondContact CD2-CE1 3.49Å; F169-H373 AromaticContact CD2-CG 3.73Å; F169-H373 AromaticContact CD2-ND1 3.45Å; F169-H373 WeakPolarHBondContact CD2-ND1 3.36Å; F169-H373 AromaticContact CD2-NE2 2.99Å; F169-H373 WeakPolarHBondContact CD2-NE2 3.36Å; F169-H373 AromaticContact CE1-CE1 3.05Å; F169-H373 WeakPolarHBondContact CE1-CE1 3.45Å; F169-H373 AromaticContact CE1-ND1 3.89Å; F169-H373 AromaticContact CE1-NE2 3.64Å; F169-H373 AromaticContact CE2-CD2 3.68Å; F169-H373 AromaticContact CE2-CE1 2.76Å; F169-H373 WeakPolarHBondContact CE2-CE1 3.23Å; F169-H373 AromaticContact CE2-CG 3.51Å; F169-H373 AromaticContact CE2-ND1 2.83Å; F169-H373 WeakPolarHBondContact CE2-ND1 3.43Å; F169-H373 AromaticContact CE2-NE2 3.26Å; F169-H373 VanDerWaalsContact CE2-NE2 3.26Å; F169-H373 WeakPolarHBondContact CE2-NE2 3.26Å; F169-H373 AromaticContact CG-CE1 3.49Å; F169-H373 VanDerWaalsContact CG-CE1 3.49Å; F169-H373 WeakPolarHBondContact CG-CE1 3.21Å; F169-H373 AromaticContact CG-NE2 3.23Å; F169-H373 WeakPolarHBondContact CG-NE2 3.49Å; F169-H373 AromaticContact CZ-CE1 2.74Å; F169-H373 WeakPolarHBondContact CZ-CE1 3.36Å; F169-H373 AromaticContact CZ-ND1 3.1Å; F169-H373 WeakPolarHBondContact CZ-ND1 3.32Å; F169-H373 AromaticContact CZ-NE2 3.58Å; R369-H373 PolarHBondContact O-CE1 3.18Å; R369-H373 PolarHBondContact O-N 3.31Å; R369-H373 VanDerWaalsContact O-N 3.11Å; R369-H373 PolarHBondContact O-ND1 2.88Å; R369-H373 PolarHBondContact O-NE2 3.43Å; R369-H373 VanDerWaalsContact O-NE2 3.15Å; V370-H373 PolarHBondContact O-N 2.74Å; L371-H373 VanDerWaalsContact C-N 3.26Å; L371-H373 PolarHBondContact O-N 2.85Å; H373-L375 VanDerWaalsContact C-N 3.29Å; H373-L375 PolarHBondContact O-N 3.39Å; H373-R376 PolarHBondContact O-N 3.46Å; H373-A377 VanDerWaalsContact O-CB 3.28Å; H373-A377 WeakPolarHBondContact O-CB 3.38Å; H373-A377 PolarHBondContact O-N 2.87Å |
| 374 | T | 91.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.6 | -45.7 | 173 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | V370 L371 R376 A377 S378 N475 F476 Y479 | V370-T374 PolarHBondContact O-N 3.42Å; V370-T374 PolarHBondContact O-OG1 3.39Å; V370-T374 VanDerWaalsContact O-OG1 3.08Å; L371-T374 WeakPolarHBondContact O-CB 3.39Å; L371-T374 PolarHBondContact O-N 3.08Å; T374-R376 PolarHBondContact O-N 2.95Å; T374-A377 PolarHBondContact O-N 3.29Å; T374-S378 VanDerWaalsContact O-CB 3.24Å; T374-S378 WeakPolarHBondContact O-CB 3.37Å; T374-S378 PolarHBondContact O-N 3.5Å; T374-S378 PolarHBondContact O-OG 3.49Å; T374-N475 HydrophobicContact CG2-CB 4.12Å; T374-F476 HydrophobicContact CG2-CB 3.81Å; T374-F476 HydrophobicContact CG2-CD2 4.44Å; T374-F476 WeakPolarHBondContact OG1-CA 3.28Å; T374-Y479 WeakPolarHBondContact OG1-CD2 3.35Å |
| 375 | L | 91.4 | Very high | 89.6 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.5 | -68 | -179.6 | 0 | 0 | 0 | 111.2 | L371 H373 S378 T379 F382 | L371-L375 HydrophobicContact CD1-CG 4.33Å; L371-L375 HydrophobicContact CG-CD1 4.37Å; L371-L375 HydrophobicContact CG-CG 4.41Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.3Å; L371-L375 PolarHBondContact O-N 3.05Å; H373-L375 VanDerWaalsContact C-N 3.29Å; H373-L375 PolarHBondContact O-N 3.39Å; L375-S378 PolarHBondContact O-N 2.89Å; L375-T379 PolarHBondContact O-N 3.25Å; L375-F382 HydrophobicContact CD2-CD2 4.44Å; L375-F382 HydrophobicContact CD2-CE1 4.31Å; L375-F382 HydrophobicContact CD2-CE2 3.35Å; L375-F382 HydrophobicContact CD2-CZ 3.26Å |
| 376 | R | 89.3 | Confident | 90.3 | Very high | 161 Ų | 161 | 58.6 Ų | 58.6 | 61% | 0.608 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 178.3 | -176.4 | 179.1 | 179.5 | 179 | -1.2 | 112.1 | G372 H373 T374 S378 T379 | G372-R376 PolarHBondContact O-N 3.5Å; G372-R376 VanDerWaalsContact O-N 3.07Å; H373-R376 PolarHBondContact O-N 3.46Å; T374-R376 PolarHBondContact O-N 2.95Å; R376-S378 VanDerWaalsContact C-N 3.34Å; R376-T379 PolarHBondContact O-OG1 3.28Å |
| 377 | A | 89.2 | Confident | 91.1 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70 | -32.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H373 T374 T379 Y479 | H373-A377 VanDerWaalsContact O-CB 3.28Å; H373-A377 WeakPolarHBondContact O-CB 3.38Å; H373-A377 PolarHBondContact O-N 2.87Å; T374-A377 PolarHBondContact O-N 3.29Å; A377-T379 VanDerWaalsContact C-N 3.32Å; A377-T379 PolarHBondContact O-N 2.74Å; A377-Y479 HydrophobicContact CB-CE2 3.68Å; A377-Y479 WeakPolarHBondContact CB-OH 3.11Å |
| 378 | S | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 22.4 | -176.3 | -41.6 | 0 | 0 | 0 | 0 | 113.5 | T374 L375 R376 N380 E381 F382 N475 | T374-S378 VanDerWaalsContact O-CB 3.24Å; T374-S378 WeakPolarHBondContact O-CB 3.37Å; T374-S378 PolarHBondContact O-N 3.5Å; T374-S378 PolarHBondContact O-OG 3.49Å; L375-S378 PolarHBondContact O-N 2.89Å; R376-S378 VanDerWaalsContact C-N 3.34Å; S378-N380 PolarHBondContact O-N 2.96Å; S378-E381 WeakPolarHBondContact CA-OE2 3.36Å; S378-E381 PolarHBondContact O-N 3.32Å; S378-F382 VanDerWaalsContact O-CD2 3.23Å; S378-F382 WeakPolarHBondContact O-CD2 3.23Å; S378-F382 PolarHBondContact O-N 2.95Å; S378-N475 PolarHBondContact OG-ND2 3.17Å |
| 379 | T | 93.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -35 | -176.4 | -61 | 0 | 0 | 0 | 0 | 111.8 | L375 R376 A377 F382 L383 | L375-T379 PolarHBondContact O-N 3.25Å; R376-T379 PolarHBondContact O-OG1 3.28Å; A377-T379 VanDerWaalsContact C-N 3.32Å; A377-T379 PolarHBondContact O-N 2.74Å; T379-F382 PolarHBondContact O-N 2.65Å; T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.35Å |
| 380 | N | 93.8 | Very high | 92.9 | Very high | 120 Ų | 120 | 61.1 Ų | 61.1 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68 | -41.9 | 179.9 | -65.5 | -34.4 | 0 | 0 | 0 | 111.6 | S378 L383 L384 | S378-N380 PolarHBondContact O-N 2.96Å; N380-L383 PolarHBondContact O-N 2.95Å; N380-L384 WeakPolarHBondContact O-CB 3.39Å; N380-L384 PolarHBondContact O-N 3.46Å |
| 381 | E | 94.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 65.6 Ų | 65.6 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 177.6 | -64.8 | 75.3 | -171.9 | 0 | 0 | 111.1 | S378 L384 L385 V471 I472 | S378-E381 WeakPolarHBondContact CA-OE2 3.36Å; S378-E381 PolarHBondContact O-N 3.32Å; E381-L384 PolarHBondContact O-N 3.11Å; E381-L385 WeakPolarHBondContact O-CB 3.19Å; E381-L385 PolarHBondContact O-N 3.5Å; E381-V471 HydrophobicContact CG-CB 4.25Å; E381-V471 HydrophobicContact CG-CG1 3.81Å; E381-I472 HydrophobicContact CB-CD1 4.02Å; E381-I472 HydrophobicContact CB-CG1 3.67Å; E381-I472 HydrophobicContact CG-CG1 4.41Å |
| 382 | F | 94.8 | Very high | 93.7 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 171.4 | -85.4 | -71.4 | 0 | 0 | 0 | 111.8 | L375 S378 T379 L384 L385 I386 I472 | L375-F382 HydrophobicContact CD2-CD2 4.44Å; L375-F382 HydrophobicContact CD2-CE1 4.31Å; L375-F382 HydrophobicContact CD2-CE2 3.35Å; L375-F382 HydrophobicContact CD2-CZ 3.26Å; S378-F382 VanDerWaalsContact O-CD2 3.23Å; S378-F382 WeakPolarHBondContact O-CD2 3.23Å; S378-F382 PolarHBondContact O-N 2.95Å; T379-F382 PolarHBondContact O-N 2.65Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.91Å; F382-L385 PolarHBondContact O-N 3.26Å; F382-I386 VanDerWaalsContact O-CG1 3.31Å; F382-I386 WeakPolarHBondContact O-CG1 3.2Å; F382-I386 PolarHBondContact O-N 3.47Å; F382-I472 HydrophobicContact CD1-CD1 4.34Å; F382-I472 HydrophobicContact CD2-CD1 4.29Å; F382-I472 HydrophobicContact CE1-CD1 4.2Å; F382-I472 HydrophobicContact CE2-CD1 4.11Å; F382-I472 HydrophobicContact CE2-CG2 4.05Å; F382-I472 HydrophobicContact CG-CD1 4.37Å; F382-I472 HydrophobicContact CZ-CD1 4.06Å; F382-I472 HydrophobicContact CZ-CG2 4.09Å |
| 383 | L | 96.3 | Very high | 94.2 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 176.1 | -178.9 | 62 | 0 | 0 | 0 | 111.3 | T379 N380 L385 I386 I387 | T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.35Å; N380-L383 PolarHBondContact O-N 2.95Å; L383-L385 PolarHBondContact O-N 3Å; L383-I386 PolarHBondContact O-N 3.32Å; L383-I387 HydrophobicContact CD1-CD1 4.21Å; L383-I387 HydrophobicContact CD1-CG1 4.49Å; L383-I387 HydrophobicContact CG-CD1 3.98Å; L383-I387 VanDerWaalsContact O-CG1 3.29Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 3.17Å |
| 384 | L | 94.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.9 | -174.4 | 68.2 | 0 | 0 | 0 | 111.8 | N380 E381 F382 I386 I387 F388 | N380-L384 WeakPolarHBondContact O-CB 3.39Å; N380-L384 PolarHBondContact O-N 3.46Å; E381-L384 PolarHBondContact O-N 3.11Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.91Å; L384-I386 PolarHBondContact O-N 3.36Å; L384-I387 PolarHBondContact O-N 3.14Å; L384-F388 HydrophobicContact CD1-CD1 4.46Å; L384-F388 HydrophobicContact CD1-CE1 3.9Å; L384-F388 HydrophobicContact CD1-CE2 4.03Å; L384-F388 HydrophobicContact CD1-CZ 3.67Å; L384-F388 HydrophobicContact CD2-CE2 4.14Å; L384-F388 HydrophobicContact CD2-CZ 4.42Å; L384-F388 HydrophobicContact CG-CD2 4.24Å; L384-F388 HydrophobicContact CG-CE2 3.87Å; L384-F388 HydrophobicContact CG-CZ 4.06Å; L384-F388 PolarHBondContact O-N 3.01Å |
| 385 | L | 95.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 175.7 | 175.2 | 61.1 | 0 | 0 | 0 | 111.5 | E381 F382 L383 I387 F388 L389 P468 V469 | E381-L385 WeakPolarHBondContact O-CB 3.19Å; E381-L385 PolarHBondContact O-N 3.5Å; F382-L385 PolarHBondContact O-N 3.26Å; L383-L385 PolarHBondContact O-N 3Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3.35Å; L385-F388 PolarHBondContact O-N 2.77Å; L385-L389 WeakPolarHBondContact O-CB 3.23Å; L385-L389 PolarHBondContact O-N 2.98Å; L385-P468 HydrophobicContact CB-CB 4.27Å; L385-P468 HydrophobicContact CB-CG 3.72Å; L385-P468 HydrophobicContact CD1-CG 3.76Å; L385-P468 HydrophobicContact CG-CG 4.25Å; L385-V469 HydrophobicContact CD2-CG2 4.36Å |
| 386 | I | 96.7 | Very high | 95.6 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 55% | 0.549 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 178 | -69.2 | 166.7 | 0 | 0 | 0 | 110.8 | F382 L383 L384 L389 A390 | F382-I386 VanDerWaalsContact O-CG1 3.31Å; F382-I386 WeakPolarHBondContact O-CG1 3.2Å; F382-I386 PolarHBondContact O-N 3.47Å; L383-I386 PolarHBondContact O-N 3.32Å; L384-I386 PolarHBondContact O-N 3.36Å; I386-L389 PolarHBondContact O-N 3.22Å; I386-A390 VanDerWaalsContact O-CB 3.26Å; I386-A390 WeakPolarHBondContact O-CB 3.31Å; I386-A390 PolarHBondContact O-N 3.22Å |
| 387 | I | 96.7 | Very high | 96 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 178.3 | -70 | 166.4 | 0 | 0 | 0 | 111 | L383 L384 L385 L389 A390 L391 | L383-I387 HydrophobicContact CD1-CD1 4.21Å; L383-I387 HydrophobicContact CD1-CG1 4.49Å; L383-I387 HydrophobicContact CG-CD1 3.98Å; L383-I387 VanDerWaalsContact O-CG1 3.29Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 3.17Å; L384-I387 PolarHBondContact O-N 3.14Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3.35Å; I387-L389 VanDerWaalsContact C-N 3.33Å; I387-L389 PolarHBondContact O-N 3.46Å; I387-A390 PolarHBondContact O-N 3.08Å; I387-L391 HydrophobicContact CG2-CD1 4.06Å; I387-L391 HydrophobicContact CG2-CG 4.47Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.28Å |
| 388 | F | 96 | Very high | 96.5 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 178 | -73.6 | -12.6 | 0 | 0 | 0 | 112.2 | L384 L385 G392 M467 | L384-F388 HydrophobicContact CD1-CD1 4.46Å; L384-F388 HydrophobicContact CD1-CE1 3.9Å; L384-F388 HydrophobicContact CD1-CE2 4.03Å; L384-F388 HydrophobicContact CD1-CZ 3.67Å; L384-F388 HydrophobicContact CD2-CE2 4.14Å; L384-F388 HydrophobicContact CD2-CZ 4.42Å; L384-F388 HydrophobicContact CG-CD2 4.24Å; L384-F388 HydrophobicContact CG-CE2 3.87Å; L384-F388 HydrophobicContact CG-CZ 4.06Å; L384-F388 PolarHBondContact O-N 3.01Å; L385-F388 PolarHBondContact O-N 2.77Å; F388-G392 PolarHBondContact O-N 3.24Å; F388-M467 HydrophobicContact CE2-SD 4.18Å |
| 389 | L | 96.5 | Very high | 96.7 | Very high | 49 Ų | 49 | 63.1 Ų | 63.1 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 176 | -164.3 | 81.6 | 0 | 0 | 0 | 111.1 | L385 I386 I387 L391 G392 V393 M435 | L385-L389 WeakPolarHBondContact O-CB 3.23Å; L385-L389 PolarHBondContact O-N 2.98Å; I386-L389 PolarHBondContact O-N 3.22Å; I387-L389 VanDerWaalsContact C-N 3.33Å; I387-L389 PolarHBondContact O-N 3.46Å; L389-L391 PolarHBondContact O-N 3.36Å; L389-G392 PolarHBondContact O-N 2.75Å; L389-V393 HydrophobicContact CG-CG2 4.22Å; L389-V393 VanDerWaalsContact O-CB 3.26Å; L389-V393 WeakPolarHBondContact O-CB 3.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.38Å; L389-V393 PolarHBondContact O-N 3.26Å; L389-M435 HydrophobicContact CD1-CE 4.49Å |
| 390 | A | 97.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 59.3 Ų | 59.3 | 49% | 0.488 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | I386 I387 L394 | I386-A390 VanDerWaalsContact O-CB 3.26Å; I386-A390 WeakPolarHBondContact O-CB 3.31Å; I386-A390 PolarHBondContact O-N 3.22Å; I387-A390 PolarHBondContact O-N 3.08Å; A390-L394 WeakPolarHBondContact O-CB 3.31Å; A390-L394 PolarHBondContact O-N 3.28Å |
| 391 | L | 97.4 | Very high | 97 | Very high | 98 Ų | 98 | 55.2 Ų | 55.2 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 175.8 | -69.9 | 177.3 | 0 | 0 | 0 | 111.6 | I387 L389 L394 I395 | I387-L391 HydrophobicContact CG2-CD1 4.06Å; I387-L391 HydrophobicContact CG2-CG 4.47Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.28Å; L389-L391 PolarHBondContact O-N 3.36Å; L391-L394 PolarHBondContact O-N 3.03Å; L391-I395 WeakPolarHBondContact O-CB 3.33Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.38Å; L391-I395 PolarHBondContact O-N 3.33Å |
| 392 | G | 97.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F388 L389 L394 I395 F396 | F388-G392 PolarHBondContact O-N 3.24Å; L389-G392 PolarHBondContact O-N 2.75Å; G392-L394 PolarHBondContact O-N 3.25Å; G392-I395 PolarHBondContact O-N 2.72Å; G392-F396 WeakPolarHBondContact O-CB 3.41Å; G392-F396 WeakPolarHBondContact O-CD2 3.44Å; G392-F396 PolarHBondContact O-N 3.16Å |
| 393 | V | 98.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 178.1 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | L389 A397 F428 A431 V432 M435 | L389-V393 HydrophobicContact CG-CG2 4.22Å; L389-V393 VanDerWaalsContact O-CB 3.26Å; L389-V393 WeakPolarHBondContact O-CB 3.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.38Å; L389-V393 PolarHBondContact O-N 3.26Å; V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 3.05Å; V393-F428 HydrophobicContact CG1-CB 3.76Å; V393-F428 HydrophobicContact CG1-CD1 3.69Å; V393-F428 HydrophobicContact CG1-CG 4Å; V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.3Å; V393-A431 HydrophobicContact CG2-CB 4.36Å; V393-V432 HydrophobicContact CG1-CG2 4.28Å; V393-V432 HydrophobicContact CG2-CG2 3.54Å; V393-M435 HydrophobicContact CG2-SD 4.11Å |
| 394 | L | 98.6 | Very high | 97.2 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 47% | 0.466 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 179.4 | 179.1 | 61 | 0 | 0 | 0 | 112.6 | A390 L391 G392 T398 F428 | A390-L394 WeakPolarHBondContact O-CB 3.31Å; A390-L394 PolarHBondContact O-N 3.28Å; L391-L394 PolarHBondContact O-N 3.03Å; G392-L394 PolarHBondContact O-N 3.25Å; L394-T398 WeakPolarHBondContact O-CB 3.31Å; L394-T398 PolarHBondContact O-N 2.89Å; L394-T398 VanDerWaalsContact O-N 3.17Å; L394-T398 PolarHBondContact O-OG1 2.92Å; L394-F428 HydrophobicContact CD1-CE1 3.88Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å |
| 395 | I | 98.4 | Very high | 97.2 | Very high | 93 Ų | 93 | 53.2 Ų | 53.2 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.3 | -52.8 | -179.3 | -68.9 | 168 | 0 | 0 | 0 | 110 | L391 G392 A397 T398 M399 | L391-I395 WeakPolarHBondContact O-CB 3.33Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.38Å; L391-I395 PolarHBondContact O-N 3.33Å; G392-I395 PolarHBondContact O-N 2.72Å; I395-A397 PolarHBondContact O-N 3.19Å; I395-T398 PolarHBondContact O-N 3.34Å; I395-M399 HydrophobicContact CG2-CG 4.34Å; I395-M399 HydrophobicContact CG2-SD 3.71Å; I395-M399 WeakPolarHBondContact O-CG 3.49Å; I395-M399 PolarHBondContact O-N 2.97Å |
| 396 | F | 98.5 | Very high | 97 | Very high | 22 Ų | 22 | 56 Ų | 56 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70 | -34.6 | -175.8 | -74.3 | -63.8 | 0 | 0 | 0 | 113 | G392 T398 M399 I400 W430 A431 M435 V453 L456 C457 A460 | G392-F396 WeakPolarHBondContact O-CB 3.41Å; G392-F396 WeakPolarHBondContact O-CD2 3.44Å; G392-F396 PolarHBondContact O-N 3.16Å; F396-T398 VanDerWaalsContact C-N 3.31Å; F396-T398 PolarHBondContact O-N 3.5Å; F396-M399 HydrophobicContact CD1-SD 4.27Å; F396-M399 HydrophobicContact CE1-SD 4.39Å; F396-M399 PolarHBondContact O-N 2.9Å; F396-I400 WeakPolarHBondContact O-CB 3.27Å; F396-I400 VanDerWaalsContact O-CG2 3.23Å; F396-I400 WeakPolarHBondContact O-CG2 3.23Å; F396-I400 PolarHBondContact O-N 3.38Å; F396-W430 HydrophobicContact CB-CZ3 4.42Å; F396-A431 HydrophobicContact CB-CB 4.3Å; F396-M435 HydrophobicContact CD2-SD 4.22Å; F396-V453 HydrophobicContact CD1-CG1 4.22Å; F396-L456 HydrophobicContact CE1-CB 4.09Å; F396-C457 HydrophobicContact CB-CB 4.28Å; F396-C457 HydrophobicContact CD1-CB 3.62Å; F396-C457 HydrophobicContact CD2-CB 4.23Å; F396-C457 HydrophobicContact CE1-CB 3.97Å; F396-C457 HydrophobicContact CG-CB 3.78Å; F396-C457 HydrophobicContact CZ-CB 4.43Å; F396-A460 HydrophobicContact CE2-CB 3.51Å; F396-A460 HydrophobicContact CZ-CB 3.52Å |
| 397 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V393 I395 I400 Y401 I424 F428 | V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 3.05Å; I395-A397 PolarHBondContact O-N 3.19Å; A397-I400 WeakPolarHBondContact O-CG2 3.18Å; A397-Y401 VanDerWaalsContact O-CB 3.31Å; A397-Y401 WeakPolarHBondContact O-CB 3.41Å; A397-Y401 PolarHBondContact O-N 3.23Å; A397-I424 HydrophobicContact CB-CG2 4.16Å; A397-F428 HydrophobicContact CB-CD1 3.37Å; A397-F428 HydrophobicContact CB-CE1 3.77Å; A397-F428 HydrophobicContact CB-CG 4.42Å |
| 398 | T | 98.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.7 | -45.5 | 175.7 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | L394 I395 F396 I400 Y401 Y402 | L394-T398 WeakPolarHBondContact O-CB 3.31Å; L394-T398 PolarHBondContact O-N 2.89Å; L394-T398 VanDerWaalsContact O-N 3.17Å; L394-T398 PolarHBondContact O-OG1 2.92Å; I395-T398 PolarHBondContact O-N 3.34Å; F396-T398 VanDerWaalsContact C-N 3.31Å; F396-T398 PolarHBondContact O-N 3.5Å; T398-I400 PolarHBondContact O-N 2.68Å; T398-Y401 PolarHBondContact O-N 2.89Å; T398-Y402 HydrophobicContact CG2-CD2 3.9Å; T398-Y402 HydrophobicContact CG2-CE2 3.84Å; T398-Y402 VanDerWaalsContact O-CD2 3.29Å; T398-Y402 WeakPolarHBondContact O-CD2 3.04Å; T398-Y402 PolarHBondContact O-N 3.21Å |
| 399 | M | 98.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 178.8 | -72.7 | 177.3 | 68.3 | 0 | 0 | 112.2 | I395 F396 Y402 A403 V453 | I395-M399 HydrophobicContact CG2-CG 4.34Å; I395-M399 HydrophobicContact CG2-SD 3.71Å; I395-M399 WeakPolarHBondContact O-CG 3.49Å; I395-M399 PolarHBondContact O-N 2.97Å; F396-M399 HydrophobicContact CD1-SD 4.27Å; F396-M399 HydrophobicContact CE1-SD 4.39Å; F396-M399 PolarHBondContact O-N 2.9Å; M399-Y402 PolarHBondContact O-N 3.48Å; M399-A403 WeakPolarHBondContact O-CB 3.18Å; M399-A403 PolarHBondContact O-N 3.1Å; M399-V453 HydrophobicContact CB-CG1 3.77Å; M399-V453 HydrophobicContact CB-CG2 4.27Å; M399-V453 HydrophobicContact CE-CG2 4.19Å |
| 400 | I | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | -177.7 | -170.1 | 57.5 | 0 | 0 | 0 | 111.6 | F396 A397 T398 Y402 A403 E404 F421 W430 P445 V453 | F396-I400 WeakPolarHBondContact O-CB 3.27Å; F396-I400 VanDerWaalsContact O-CG2 3.23Å; F396-I400 WeakPolarHBondContact O-CG2 3.23Å; F396-I400 PolarHBondContact O-N 3.38Å; A397-I400 WeakPolarHBondContact O-CG2 3.18Å; T398-I400 PolarHBondContact O-N 2.68Å; I400-Y402 PolarHBondContact O-N 3.48Å; I400-A403 PolarHBondContact O-N 2.9Å; I400-E404 HydrophobicContact CD1-CG 3.89Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.32Å; I400-E404 WeakPolarHBondContact O-CG 3.25Å; I400-E404 PolarHBondContact O-N 2.89Å; I400-F421 HydrophobicContact CB-CD1 4.46Å; I400-F421 HydrophobicContact CB-CE1 4.39Å; I400-F421 HydrophobicContact CD1-CE2 4.22Å; I400-F421 HydrophobicContact CD1-CZ 4.27Å; I400-F421 HydrophobicContact CG1-CD1 3.79Å; I400-F421 HydrophobicContact CG1-CD2 4.01Å; I400-F421 HydrophobicContact CG1-CE1 3.55Å; I400-F421 HydrophobicContact CG1-CE2 3.79Å; I400-F421 HydrophobicContact CG1-CG 4.01Å; I400-F421 HydrophobicContact CG1-CZ 3.55Å; I400-F421 HydrophobicContact CG2-CD1 3.73Å; I400-F421 HydrophobicContact CG2-CE1 3.84Å; I400-F421 HydrophobicContact CG2-CG 4.45Å; I400-W430 HydrophobicContact CB-CE3 4.08Å; I400-W430 HydrophobicContact CB-CH2 3.98Å; I400-W430 HydrophobicContact CB-CZ3 3.57Å; I400-W430 HydrophobicContact CD1-CH2 4.09Å; I400-W430 HydrophobicContact CD1-CZ2 4.33Å; I400-W430 HydrophobicContact CG1-CD2 4.49Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.9Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.84Å; I400-W430 HydrophobicContact CG2-CE3 3.69Å; I400-W430 HydrophobicContact CG2-CH2 4.49Å; I400-W430 HydrophobicContact CG2-CZ3 3.64Å; I400-P445 HydrophobicContact CD1-CB 4Å; I400-V453 HydrophobicContact CB-CG1 4.09Å; I400-V453 HydrophobicContact CD1-CB 4.34Å; I400-V453 HydrophobicContact CD1-CG1 4.38Å |
| 401 | Y | 97 | Very high | 94.9 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 177.1 | 170.3 | -105.6 | 0 | 0 | 0 | 111.6 | A397 T398 R405 F421 I424 | A397-Y401 VanDerWaalsContact O-CB 3.31Å; A397-Y401 WeakPolarHBondContact O-CB 3.41Å; A397-Y401 PolarHBondContact O-N 3.23Å; T398-Y401 PolarHBondContact O-N 2.89Å; Y401-R405 WeakPolarHBondContact O-CG 3.26Å; Y401-R405 PolarHBondContact OH-NE 3.27Å; Y401-R405 PolarHBondContact OH-NH1 2.73Å; Y401-R405 PolarHBondContact OH-NH2 3.2Å; Y401-F421 WeakPolarHBondContact CD2-O 3.26Å; Y401-I424 HydrophobicContact CD1-CD1 4.44Å; Y401-I424 HydrophobicContact CD1-CG1 3.89Å; Y401-I424 HydrophobicContact CE1-CG1 4.4Å; Y401-I424 HydrophobicContact CG-CG1 4.03Å |
| 402 | Y | 96.6 | Very high | 94.3 | Very high | 144 Ų | 144 | 57.3 Ų | 57.3 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -72.8 | -35.5 | 177.1 | -77 | -68.8 | 0 | 0 | 0 | 113 | T398 M399 I400 E404 R405 | T398-Y402 HydrophobicContact CG2-CD2 3.9Å; T398-Y402 HydrophobicContact CG2-CE2 3.84Å; T398-Y402 VanDerWaalsContact O-CD2 3.29Å; T398-Y402 WeakPolarHBondContact O-CD2 3.04Å; T398-Y402 PolarHBondContact O-N 3.21Å; M399-Y402 PolarHBondContact O-N 3.48Å; I400-Y402 PolarHBondContact O-N 3.48Å; Y402-E404 PolarHBondContact O-N 2.99Å; Y402-R405 PolarHBondContact O-N 3.27Å |
| 403 | A | 96.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | M399 I400 R405 V406 T447 S449 V453 | M399-A403 WeakPolarHBondContact O-CB 3.18Å; M399-A403 PolarHBondContact O-N 3.1Å; I400-A403 PolarHBondContact O-N 2.9Å; A403-R405 VanDerWaalsContact C-N 3.32Å; A403-V406 WeakPolarHBondContact O-CB 3.29Å; A403-V406 PolarHBondContact O-N 2.99Å; A403-T447 PolarHBondContact O-OG1 3.49Å; A403-S449 PolarHBondContact O-OG 3.47Å; A403-V453 HydrophobicContact CB-CG2 3.83Å |
| 404 | E | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.6 | -26.4 | 179.2 | -74.8 | -83.3 | 116.1 | 0 | 0 | 112.8 | I400 Y402 V406 G407 H418 T419 F421 P445 Q446 T447 | I400-E404 HydrophobicContact CD1-CG 3.89Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.32Å; I400-E404 WeakPolarHBondContact O-CG 3.25Å; I400-E404 PolarHBondContact O-N 2.89Å; Y402-E404 PolarHBondContact O-N 2.99Å; E404-V406 VanDerWaalsContact C-N 3.28Å; E404-V406 PolarHBondContact O-N 3.15Å; E404-G407 PolarHBondContact O-N 3.47Å; E404-H418 PolarHBondContact O-CE1 3.31Å; E404-H418 PolarHBondContact O-NE2 2.96Å; E404-T419 HydrophobicContact CB-CG2 4.25Å; E404-T419 WeakPolarHBondContact OE2-CB 3.34Å; E404-T419 PolarHBondContact OE2-OG1 3.2Å; E404-F421 HydrophobicContact CB-CB 4.49Å; E404-F421 HydrophobicContact CB-CD2 4.39Å; E404-F421 HydrophobicContact CG-CB 4.44Å; E404-F421 HydrophobicContact CG-CD2 3.55Å; E404-F421 HydrophobicContact CG-CE2 4.12Å; E404-F421 HydrophobicContact CG-CG 4.24Å; E404-P445 WeakPolarHBondContact OE1-CA 3.46Å; E404-Q446 PolarHBondContact OE1-N 3.41Å; E404-Q446 PolarHBondContact OE2-N 3.02Å; E404-T447 PolarHBondContact OE1-N 3.43Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å; E404-T447 VanDerWaalsContact OE1-OG1 3.08Å |
| 405 | R | 94.2 | Very high | 92.1 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72 | -17.8 | 174.6 | -72.3 | -176.8 | 152.2 | -146.8 | -11.1 | 114 | Y401 Y402 A403 G407 A408 S414 S416 | Y401-R405 WeakPolarHBondContact O-CG 3.26Å; Y401-R405 PolarHBondContact OH-NE 3.27Å; Y401-R405 PolarHBondContact OH-NH1 2.73Å; Y401-R405 PolarHBondContact OH-NH2 3.2Å; Y402-R405 PolarHBondContact O-N 3.27Å; A403-R405 VanDerWaalsContact C-N 3.32Å; R405-G407 PolarHBondContact O-N 2.93Å; R405-A408 WeakPolarHBondContact O-CB 3.38Å; R405-A408 PolarHBondContact O-N 3.43Å; R405-A408 VanDerWaalsContact O-N 3.11Å; R405-S414 PolarHBondContact NH2-O 3.29Å; R405-S414 VanDerWaalsContact NH2-O 3.1Å; R405-S416 PolarHBondContact NE-OG 3.28Å; R405-S416 PolarHBondContact NH2-OG 3.08Å |
| 406 | V | 91.8 | Very high | 91.5 | Very high | 95 Ų | 95 | 58.7 Ų | 58.7 | 58% | 0.576 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.1 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | A403 E404 W448 | A403-V406 WeakPolarHBondContact O-CB 3.29Å; A403-V406 PolarHBondContact O-N 2.99Å; E404-V406 VanDerWaalsContact C-N 3.28Å; E404-V406 PolarHBondContact O-N 3.15Å; V406-W448 HydrophobicContact CG1-CZ2 4.5Å |
| 407 | G | 87.7 | Confident | 91.1 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 9.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E404 R405 | E404-G407 PolarHBondContact O-N 3.47Å; R405-G407 PolarHBondContact O-N 2.93Å |
| 408 | A | 89.8 | Confident | 90.6 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | trans | -64.9 | 139.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R405 A415 H418 | R405-A408 WeakPolarHBondContact O-CB 3.38Å; R405-A408 PolarHBondContact O-N 3.43Å; R405-A408 VanDerWaalsContact O-N 3.11Å; A408-A415 HydrophobicContact CB-CB 4.17Å; A408-A415 WeakPolarHBondContact CB-O 3.49Å; A408-H418 WeakPolarHBondContact CA-CE1 3.35Å | ||
| 409 | Q | 87.9 | Confident | 90.3 | Very high | 124 Ų | 124 | 64.7 Ų | 64.7 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | trans | -69.3 | 133.6 | 174.4 | -63.5 | 179.8 | 8.4 | 0 | 0 | 109.1 | N411 D412 | Q409-N411 PolarHBondContact O-N 3.48Å; Q409-D412 PolarHBondContact O-N 3.5Å; Q409-D412 VanDerWaalsContact O-N 3.1Å | ||
| 410 | P | 86.3 | Confident | 90.1 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 83% | 0.825 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.8 | -178.7 | 26.2 | -35.1 | 0 | 0 | 0 | 113.2 | ||
| 411 | N | 86.9 | Confident | 90 | Very high | 147 Ų | 147 | 65.2 Ų | 65.2 | 79% | 0.786 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.6 | -179.1 | -60.3 | -12.4 | 0 | 0 | 0 | 113.1 | Q409 P413 | Q409-N411 PolarHBondContact O-N 3.48Å; N411-P413 WeakPolarHBondContact O-CD 3.27Å |
| 412 | D | 86 | Confident | 89.9 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | trans | -89.2 | 114.1 | 178.4 | 170.5 | 15.8 | 0 | 0 | 0 | 110.5 | Q409 S414 A415 S416 E417 | Q409-D412 PolarHBondContact O-N 3.5Å; Q409-D412 VanDerWaalsContact O-N 3.1Å; D412-S414 VanDerWaalsContact CG-OG 3.25Å; D412-S414 PolarHBondContact O-N 3.46Å; D412-S414 WeakPolarHBondContact OD1-CA 3.39Å; D412-S414 WeakPolarHBondContact OD1-CB 3.42Å; D412-S414 PolarHBondContact OD1-N 2.94Å; D412-S414 PolarHBondContact OD1-OG 2.95Å; D412-S414 PolarHBondContact OD2-OG 3.07Å; D412-A415 PolarHBondContact O-N 3.5Å; D412-A415 PolarHBondContact OD1-N 3.3Å; D412-A415 WeakPolarHBondContact OD2-CA 3.13Å; D412-A415 PolarHBondContact OD2-N 2.85Å; D412-A415 VanDerWaalsContact OD2-N 3.14Å; D412-S416 PolarHBondContact OD2-N 3.18Å; D412-E417 WeakPolarHBondContact OD2-CB 3.26Å; D412-E417 PolarHBondContact OD2-N 2.94Å | ||
| 413 | P | 83.6 | Confident | 89.8 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 90% | 0.896 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.4 | 178 | -19.9 | 32.1 | 0 | 0 | 0 | 114 | N411 | N411-P413 WeakPolarHBondContact O-CD 3.27Š|
| 414 | S | 83.9 | Confident | 89.9 | Confident | 62 Ų | 62 | 68 Ų | 68 | 43% | 0.434 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -15.6 | -178.6 | 76.4 | 0 | 0 | 0 | 0 | 113.2 | R405 D412 S416 E417 | R405-S414 PolarHBondContact NH2-O 3.29Å; R405-S414 VanDerWaalsContact NH2-O 3.1Å; D412-S414 VanDerWaalsContact CG-OG 3.25Å; D412-S414 PolarHBondContact O-N 3.46Å; D412-S414 WeakPolarHBondContact OD1-CA 3.39Å; D412-S414 WeakPolarHBondContact OD1-CB 3.42Å; D412-S414 PolarHBondContact OD1-N 2.94Å; D412-S414 PolarHBondContact OD1-OG 2.95Å; D412-S414 PolarHBondContact OD2-OG 3.07Å; S414-S416 PolarHBondContact O-N 3.06Å; S414-S416 VanDerWaalsContact O-N 3.1Å; S414-S416 PolarHBondContact O-OG 3.15Å; S414-S416 PolarHBondContact OG-N 3.12Å; S414-E417 PolarHBondContact OG-N 3.06Å |
| 415 | A | 80.3 | Confident | 90 | Very high | 31 Ų | 31 | 71.8 Ų | 71.8 | 26% | 0.256 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 50.8 | 22.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | A408 D412 | A408-A415 HydrophobicContact CB-CB 4.17Å; A408-A415 WeakPolarHBondContact CB-O 3.49Å; D412-A415 PolarHBondContact O-N 3.5Å; D412-A415 PolarHBondContact OD1-N 3.3Å; D412-A415 WeakPolarHBondContact OD2-CA 3.13Å; D412-A415 PolarHBondContact OD2-N 2.85Å; D412-A415 VanDerWaalsContact OD2-N 3.14Å |
| 416 | S | 86.7 | Confident | 90.1 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.035 | 40% | 0.401 | C | S | . | . | trans | -152.9 | 13.3 | -171.9 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | R405 D412 S414 H418 T419 | R405-S416 PolarHBondContact NE-OG 3.28Å; R405-S416 PolarHBondContact NH2-OG 3.08Å; D412-S416 PolarHBondContact OD2-N 3.18Å; S414-S416 PolarHBondContact O-N 3.06Å; S414-S416 VanDerWaalsContact O-N 3.1Å; S414-S416 PolarHBondContact O-OG 3.15Å; S414-S416 PolarHBondContact OG-N 3.12Å; S416-H418 VanDerWaalsContact C-N 3.33Å; S416-H418 PolarHBondContact O-N 3.43Å; S416-T419 WeakPolarHBondContact O-CG2 3.14Å; S416-T419 PolarHBondContact O-N 3.07Å; S416-T419 VanDerWaalsContact O-O 3.12Å | ||
| 417 | E | 88.3 | Confident | 90.4 | Very high | 145 Ų | 145 | 65.9 Ų | 65.9 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -35.9 | -179.6 | -173.2 | 172.8 | -153.5 | 0 | 0 | 112.1 | D412 S414 T419 | D412-E417 WeakPolarHBondContact OD2-CB 3.26Å; D412-E417 PolarHBondContact OD2-N 2.94Å; S414-E417 PolarHBondContact OG-N 3.06Å; E417-T419 VanDerWaalsContact C-N 3.3Å; E417-T419 PolarHBondContact O-N 3.43Å |
| 418 | H | 88.9 | Confident | 90.9 | Very high | 48 Ų | 48 | 67.5 Ų | 67.5 | 22% | 0.222 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.2 | 179.2 | 69.6 | -73.1 | 0 | 0 | 0 | 113.5 | E404 A408 S416 Q446 | E404-H418 PolarHBondContact O-CE1 3.31Å; E404-H418 PolarHBondContact O-NE2 2.96Å; A408-H418 WeakPolarHBondContact CA-CE1 3.35Å; S416-H418 VanDerWaalsContact C-N 3.33Å; S416-H418 PolarHBondContact O-N 3.43Å; H418-Q446 PolarHBondContact O-OE1 2.87Å |
| 419 | T | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -111.4 | 150.3 | -171.8 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | E404 S416 E417 F421 | E404-T419 HydrophobicContact CB-CG2 4.25Å; E404-T419 WeakPolarHBondContact OE2-CB 3.34Å; E404-T419 PolarHBondContact OE2-OG1 3.2Å; S416-T419 WeakPolarHBondContact O-CG2 3.14Å; S416-T419 PolarHBondContact O-N 3.07Å; S416-T419 VanDerWaalsContact O-O 3.12Å; E417-T419 VanDerWaalsContact C-N 3.3Å; E417-T419 PolarHBondContact O-N 3.43Å; T419-F421 VanDerWaalsContact C-N 3.26Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.27Å; T419-F421 PolarHBondContact OG1-N 3.04Å; T419-F421 VanDerWaalsContact OG1-N 3.12Å | ||
| 420 | Q | 93 | Very high | 91.8 | Very high | 87 Ų | 87 | 66.3 Ų | 66.3 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -73.9 | -21.9 | 171.4 | -55.7 | -53.6 | -48 | 0 | 0 | 111.5 | K422 M443 | Q420-K422 VanDerWaalsContact C-N 3.3Å; Q420-K422 PolarHBondContact O-N 3.44Å; Q420-M443 HydrophobicContact CB-CB 4.47Å; Q420-M443 HydrophobicContact CB-CE 3.55Å; Q420-M443 HydrophobicContact CB-CG 4.09Å; Q420-M443 WeakPolarHBondContact O-CE 3.29Å |
| 421 | F | 96 | Very high | 92.4 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | trans | -82.9 | 65.2 | -175.1 | -60.1 | -83.3 | 0 | 0 | 0 | 112.4 | I400 Y401 E404 T419 N423 W430 M443 | I400-F421 HydrophobicContact CB-CD1 4.46Å; I400-F421 HydrophobicContact CB-CE1 4.39Å; I400-F421 HydrophobicContact CD1-CE2 4.22Å; I400-F421 HydrophobicContact CD1-CZ 4.27Å; I400-F421 HydrophobicContact CG1-CD1 3.79Å; I400-F421 HydrophobicContact CG1-CD2 4.01Å; I400-F421 HydrophobicContact CG1-CE1 3.55Å; I400-F421 HydrophobicContact CG1-CE2 3.79Å; I400-F421 HydrophobicContact CG1-CG 4.01Å; I400-F421 HydrophobicContact CG1-CZ 3.55Å; I400-F421 HydrophobicContact CG2-CD1 3.73Å; I400-F421 HydrophobicContact CG2-CE1 3.84Å; I400-F421 HydrophobicContact CG2-CG 4.45Å; Y401-F421 WeakPolarHBondContact CD2-O 3.26Å; E404-F421 HydrophobicContact CB-CB 4.49Å; E404-F421 HydrophobicContact CB-CD2 4.39Å; E404-F421 HydrophobicContact CG-CB 4.44Å; E404-F421 HydrophobicContact CG-CD2 3.55Å; E404-F421 HydrophobicContact CG-CE2 4.12Å; E404-F421 HydrophobicContact CG-CG 4.24Å; T419-F421 VanDerWaalsContact C-N 3.26Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.27Å; T419-F421 PolarHBondContact OG1-N 3.04Å; T419-F421 VanDerWaalsContact OG1-N 3.12Å; F421-N423 VanDerWaalsContact C-N 3.34Å; F421-N423 PolarHBondContact O-N 3.47Å; F421-W430 HydrophobicContact CE1-CB 3.6Å; F421-W430 AromaticContact CE1-CD1 3.93Å; F421-W430 AromaticContact CE1-CD2 3.54Å; F421-W430 HydrophobicContact CE1-CD2 3.54Å; F421-W430 AromaticContact CE1-CE3 3.94Å; F421-W430 HydrophobicContact CE1-CE3 3.94Å; F421-W430 AromaticContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CZ-CB 4.23Å; F421-W430 AromaticContact CZ-CD1 3.67Å; F421-W430 AromaticContact CZ-CD2 3.72Å; F421-W430 HydrophobicContact CZ-CD2 3.72Å; F421-W430 AromaticContact CZ-CE2 3.84Å; F421-W430 HydrophobicContact CZ-CE3 4.41Å; F421-W430 AromaticContact CZ-CG 3.6Å; F421-W430 HydrophobicContact CZ-CG 3.6Å; F421-W430 AromaticContact CZ-NE1 3.8Å; F421-M443 HydrophobicContact CD1-CE 3.86Å; F421-M443 HydrophobicContact CE1-CE 3.95Å; F421-M443 HydrophobicContact CG-CE 4.26Å; F421-M443 HydrophobicContact CZ-CE 4.41Å | ||
| 422 | K | 94.8 | Very high | 92.9 | Very high | 127 Ų | 127 | 55.8 Ų | 55.8 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | trans | -71.8 | -24.3 | -175.3 | -62.8 | -178.8 | -179.8 | -178.8 | 0 | 114.4 | Q420 I426 | Q420-K422 VanDerWaalsContact C-N 3.3Å; Q420-K422 PolarHBondContact O-N 3.44Å; K422-I426 HydrophobicContact CB-CD1 4.21Å | ||
| 423 | N | 95.3 | Very high | 93.5 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -155.4 | 168.1 | 176.5 | 60.5 | 29 | 0 | 0 | 0 | 110.9 | F421 I426 G427 | F421-N423 VanDerWaalsContact C-N 3.34Å; F421-N423 PolarHBondContact O-N 3.47Å; N423-I426 PolarHBondContact O-N 3.33Å; N423-I426 VanDerWaalsContact OD1-CB 3.25Å; N423-I426 WeakPolarHBondContact OD1-CB 3.42Å; N423-I426 VanDerWaalsContact OD1-CD1 3.29Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.49Å; N423-I426 WeakPolarHBondContact OD1-CG1 3.41Å; N423-I426 PolarHBondContact OD1-N 3.02Å; N423-G427 PolarHBondContact O-N 3.37Å |
| 424 | I | 97.3 | Very high | 94.2 | Very high | 50 Ų | 50 | 49.7 Ų | 49.7 | 26% | 0.256 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | -177.3 | -59.7 | 173.3 | 0 | 0 | 0 | 112.6 | A397 Y401 I426 G427 F428 | A397-I424 HydrophobicContact CB-CG2 4.16Å; Y401-I424 HydrophobicContact CD1-CD1 4.44Å; Y401-I424 HydrophobicContact CD1-CG1 3.89Å; Y401-I424 HydrophobicContact CE1-CG1 4.4Å; Y401-I424 HydrophobicContact CG-CG1 4.03Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 2.85Å; I424-G427 CarbonylContact O-C 3.52Å; I424-G427 VanDerWaalsContact O-CA 3.23Å; I424-G427 WeakPolarHBondContact O-CA 3.36Å; I424-G427 PolarHBondContact O-N 3.3Å; I424-F428 HydrophobicContact CG2-CD1 4.45Å; I424-F428 HydrophobicContact CG2-CE1 3.69Å; I424-F428 HydrophobicContact CG2-CZ 3.88Å; I424-F428 PolarHBondContact O-N 2.9Å; I424-F428 VanDerWaalsContact O-N 3.09Å |
| 425 | P | 97.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 46.8 Ų | 46.8 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -35.6 | 178.4 | -27.6 | 37 | 0 | 0 | 0 | 114.6 | G427 F428 | P425-G427 PolarHBondContact O-N 3.15Å; P425-F428 HydrophobicContact CB-CD2 4.22Å; P425-F428 HydrophobicContact CB-CE2 4.4Å; P425-F428 HydrophobicContact CG-CE2 4.48Å; P425-F428 VanDerWaalsContact O-CB 3.3Å; P425-F428 WeakPolarHBondContact O-CB 3.28Å; P425-F428 PolarHBondContact O-N 3.37Å |
| 426 | I | 97 | Very high | 95.7 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 29% | 0.292 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 170.8 | -74.4 | 169.8 | 0 | 0 | 0 | 110.4 | K422 N423 I424 F428 W429 W430 M443 | K422-I426 HydrophobicContact CB-CD1 4.21Å; N423-I426 PolarHBondContact O-N 3.33Å; N423-I426 VanDerWaalsContact OD1-CB 3.25Å; N423-I426 WeakPolarHBondContact OD1-CB 3.42Å; N423-I426 VanDerWaalsContact OD1-CD1 3.29Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.49Å; N423-I426 WeakPolarHBondContact OD1-CG1 3.41Å; N423-I426 PolarHBondContact OD1-N 3.02Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 2.85Å; I426-F428 VanDerWaalsContact C-N 3.26Å; I426-F428 PolarHBondContact O-N 3.37Å; I426-W429 PolarHBondContact O-N 3.32Å; I426-W430 PolarHBondContact O-N 3.34Å; I426-M443 HydrophobicContact CG2-CE 3.06Å; I426-M443 HydrophobicContact CG2-SD 3.5Å; I426-M443 WeakPolarHBondContact CG2-SD 3.36Å |
| 427 | G | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -30 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N423 I424 P425 W430 A431 | N423-G427 PolarHBondContact O-N 3.37Å; I424-G427 CarbonylContact O-C 3.52Å; I424-G427 VanDerWaalsContact O-CA 3.23Å; I424-G427 WeakPolarHBondContact O-CA 3.36Å; I424-G427 PolarHBondContact O-N 3.3Å; P425-G427 PolarHBondContact O-N 3.15Å; G427-W430 PolarHBondContact O-N 3.46Å; G427-A431 VanDerWaalsContact O-CB 3.23Å; G427-A431 WeakPolarHBondContact O-CB 3.41Å; G427-A431 PolarHBondContact O-N 3.45Å |
| 428 | F | 98.5 | Very high | 96.6 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 33% | 0.333 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.9 | -61.1 | -29.4 | 0 | 0 | 0 | 111.6 | V393 L394 A397 I424 P425 I426 A431 V432 | V393-F428 HydrophobicContact CG1-CB 3.76Å; V393-F428 HydrophobicContact CG1-CD1 3.69Å; V393-F428 HydrophobicContact CG1-CG 4Å; L394-F428 HydrophobicContact CD1-CE1 3.88Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å; A397-F428 HydrophobicContact CB-CD1 3.37Å; A397-F428 HydrophobicContact CB-CE1 3.77Å; A397-F428 HydrophobicContact CB-CG 4.42Å; I424-F428 HydrophobicContact CG2-CD1 4.45Å; I424-F428 HydrophobicContact CG2-CE1 3.69Å; I424-F428 HydrophobicContact CG2-CZ 3.88Å; I424-F428 PolarHBondContact O-N 2.9Å; I424-F428 VanDerWaalsContact O-N 3.09Å; P425-F428 HydrophobicContact CB-CD2 4.22Å; P425-F428 HydrophobicContact CB-CE2 4.4Å; P425-F428 HydrophobicContact CG-CE2 4.48Å; P425-F428 VanDerWaalsContact O-CB 3.3Å; P425-F428 WeakPolarHBondContact O-CB 3.28Å; P425-F428 PolarHBondContact O-N 3.37Å; I426-F428 VanDerWaalsContact C-N 3.26Å; I426-F428 PolarHBondContact O-N 3.37Å; F428-A431 PolarHBondContact O-N 2.97Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.31Å |
| 429 | W | 98.3 | Very high | 97 | Very high | 119 Ų | 119 | 50 Ų | 50 | 45% | 0.451 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -52.2 | 176.5 | 165.2 | -112.5 | 0 | 0 | 0 | 111.4 | I426 A431 V432 V433 Y440 D442 | I426-W429 PolarHBondContact O-N 3.32Å; W429-A431 VanDerWaalsContact C-N 3.33Å; W429-A431 PolarHBondContact O-N 2.82Å; W429-V432 PolarHBondContact O-N 3.01Å; W429-V433 HydrophobicContact CD2-CG2 4.02Å; W429-V433 HydrophobicContact CE3-CG2 4.09Å; W429-V433 HydrophobicContact CH2-CG2 3.9Å; W429-V433 HydrophobicContact CZ2-CG2 3.79Å; W429-V433 HydrophobicContact CZ3-CG2 4.03Å; W429-V433 WeakPolarHBondContact O-CG2 3.21Å; W429-V433 PolarHBondContact O-N 3.36Å; W429-V433 VanDerWaalsContact O-N 3.1Å; W429-Y440 AromaticContact CH2-CD2 3.99Å; W429-Y440 HydrophobicContact CH2-CD2 3.99Å; W429-Y440 AromaticContact CH2-CE2 3.54Å; W429-Y440 HydrophobicContact CH2-CE2 3.54Å; W429-Y440 AromaticContact CZ2-CD2 3.66Å; W429-Y440 HydrophobicContact CZ2-CD2 3.66Å; W429-Y440 AromaticContact CZ2-CE2 3.73Å; W429-Y440 HydrophobicContact CZ2-CE2 3.73Å; W429-D442 PolarHBondContact NE1-OD2 2.83Å |
| 430 | W | 98.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 177.8 | 169.1 | 81.5 | 0 | 0 | 0 | 112.8 | F396 I400 F421 I426 G427 V433 T434 M443 V453 C457 | F396-W430 HydrophobicContact CB-CZ3 4.42Å; I400-W430 HydrophobicContact CB-CE3 4.08Å; I400-W430 HydrophobicContact CB-CH2 3.98Å; I400-W430 HydrophobicContact CB-CZ3 3.57Å; I400-W430 HydrophobicContact CD1-CH2 4.09Å; I400-W430 HydrophobicContact CD1-CZ2 4.33Å; I400-W430 HydrophobicContact CG1-CD2 4.49Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.9Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.84Å; I400-W430 HydrophobicContact CG2-CE3 3.69Å; I400-W430 HydrophobicContact CG2-CH2 4.49Å; I400-W430 HydrophobicContact CG2-CZ3 3.64Å; F421-W430 HydrophobicContact CE1-CB 3.6Å; F421-W430 AromaticContact CE1-CD1 3.93Å; F421-W430 AromaticContact CE1-CD2 3.54Å; F421-W430 HydrophobicContact CE1-CD2 3.54Å; F421-W430 AromaticContact CE1-CE3 3.94Å; F421-W430 HydrophobicContact CE1-CE3 3.94Å; F421-W430 AromaticContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CZ-CB 4.23Å; F421-W430 AromaticContact CZ-CD1 3.67Å; F421-W430 AromaticContact CZ-CD2 3.72Å; F421-W430 HydrophobicContact CZ-CD2 3.72Å; F421-W430 AromaticContact CZ-CE2 3.84Å; F421-W430 HydrophobicContact CZ-CE3 4.41Å; F421-W430 AromaticContact CZ-CG 3.6Å; F421-W430 HydrophobicContact CZ-CG 3.6Å; F421-W430 AromaticContact CZ-NE1 3.8Å; I426-W430 PolarHBondContact O-N 3.34Å; G427-W430 PolarHBondContact O-N 3.46Å; W430-V433 PolarHBondContact O-N 2.66Å; W430-T434 HydrophobicContact CZ2-CG2 4.32Å; W430-T434 PolarHBondContact NE1-OG1 3.08Å; W430-T434 VanDerWaalsContact O-CB 3.29Å; W430-T434 WeakPolarHBondContact O-CB 3.27Å; W430-T434 PolarHBondContact O-N 3.15Å; W430-T434 PolarHBondContact O-OG1 3.38Å; W430-M443 VanDerWaalsContact CD1-O 3.29Å; W430-V453 HydrophobicContact CH2-CG1 4.38Å; W430-C457 HydrophobicContact CH2-CB 3.94Å; W430-C457 HydrophobicContact CZ3-CB 4.41Å |
| 431 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | V393 F396 G427 F428 W429 T434 M435 | V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.3Å; V393-A431 HydrophobicContact CG2-CB 4.36Å; F396-A431 HydrophobicContact CB-CB 4.3Å; G427-A431 VanDerWaalsContact O-CB 3.23Å; G427-A431 WeakPolarHBondContact O-CB 3.41Å; G427-A431 PolarHBondContact O-N 3.45Å; F428-A431 PolarHBondContact O-N 2.97Å; W429-A431 VanDerWaalsContact C-N 3.33Å; W429-A431 PolarHBondContact O-N 2.82Å; A431-T434 PolarHBondContact O-N 2.97Å; A431-M435 WeakPolarHBondContact O-CB 3.45Å; A431-M435 WeakPolarHBondContact O-CG 3.37Å; A431-M435 PolarHBondContact O-N 3Å |
| 432 | V | 98.2 | Very high | 97.4 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | V393 F428 W429 T434 T436 | V393-V432 HydrophobicContact CG1-CG2 4.28Å; V393-V432 HydrophobicContact CG2-CG2 3.54Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.31Å; W429-V432 PolarHBondContact O-N 3.01Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.43Å; V432-T436 WeakPolarHBondContact O-CB 3.3Å; V432-T436 WeakPolarHBondContact O-CG2 3.03Å; V432-T436 PolarHBondContact O-N 3.33Å; V432-T436 VanDerWaalsContact O-N 3.08Å; V432-T436 PolarHBondContact O-OG1 3.46Å |
| 433 | V | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -36.7 | -178.2 | 171.4 | 0 | 0 | 0 | 0 | 112 | W429 W430 T436 L438 G439 Y440 | W429-V433 HydrophobicContact CD2-CG2 4.02Å; W429-V433 HydrophobicContact CE3-CG2 4.09Å; W429-V433 HydrophobicContact CH2-CG2 3.9Å; W429-V433 HydrophobicContact CZ2-CG2 3.79Å; W429-V433 HydrophobicContact CZ3-CG2 4.03Å; W429-V433 WeakPolarHBondContact O-CG2 3.21Å; W429-V433 PolarHBondContact O-N 3.36Å; W429-V433 VanDerWaalsContact O-N 3.1Å; W430-V433 PolarHBondContact O-N 2.66Å; V433-T436 PolarHBondContact O-OG1 3.12Å; V433-L438 HydrophobicContact CG1-CB 4.12Å; V433-L438 WeakPolarHBondContact O-CB 3.19Å; V433-L438 PolarHBondContact O-N 3.39Å; V433-G439 PolarHBondContact O-N 3.31Å; V433-Y440 HydrophobicContact CB-CD2 4.36Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.3Å; V433-Y440 HydrophobicContact CG1-CG 4.21Å; V433-Y440 HydrophobicContact CG2-CD2 3.67Å; V433-Y440 HydrophobicContact CG2-CE2 3.78Å |
| 434 | T | 98.2 | Very high | 97.5 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -80.9 | -43.3 | -178.8 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | W430 A431 V432 T436 T437 C457 A458 | W430-T434 HydrophobicContact CZ2-CG2 4.32Å; W430-T434 PolarHBondContact NE1-OG1 3.08Å; W430-T434 VanDerWaalsContact O-CB 3.29Å; W430-T434 WeakPolarHBondContact O-CB 3.27Å; W430-T434 PolarHBondContact O-N 3.15Å; W430-T434 PolarHBondContact O-OG1 3.38Å; A431-T434 PolarHBondContact O-N 2.97Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.43Å; T434-T436 VanDerWaalsContact C-N 3.28Å; T434-T436 PolarHBondContact O-N 3.16Å; T434-T437 PolarHBondContact O-N 3.1Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; T434-A458 HydrophobicContact CG2-CB 4.16Å |
| 435 | M | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -34.1 | 177.9 | -74.7 | -176.2 | 71.5 | 0 | 0 | 112.4 | L389 V393 F396 A431 T437 G461 | L389-M435 HydrophobicContact CD1-CE 4.49Å; V393-M435 HydrophobicContact CG2-SD 4.11Å; F396-M435 HydrophobicContact CD2-SD 4.22Å; A431-M435 WeakPolarHBondContact O-CB 3.45Å; A431-M435 WeakPolarHBondContact O-CG 3.37Å; A431-M435 PolarHBondContact O-N 3Å; M435-T437 PolarHBondContact O-N 3.36Å; M435-G461 CarbonylContact O-C 3.58Å; M435-G461 VanDerWaalsContact O-CA 3.28Å; M435-G461 WeakPolarHBondContact O-CA 3.36Å |
| 436 | T | 97.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.9 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | V432 V433 T434 L438 I465 | V432-T436 WeakPolarHBondContact O-CB 3.3Å; V432-T436 WeakPolarHBondContact O-CG2 3.03Å; V432-T436 PolarHBondContact O-N 3.33Å; V432-T436 VanDerWaalsContact O-N 3.08Å; V432-T436 PolarHBondContact O-OG1 3.46Å; V433-T436 PolarHBondContact O-OG1 3.12Å; T434-T436 VanDerWaalsContact C-N 3.28Å; T434-T436 PolarHBondContact O-N 3.16Å; T436-L438 PolarHBondContact O-N 3.41Å; T436-L438 VanDerWaalsContact O-N 3.15Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.26Å; T436-L438 WeakPolarHBondContact OG1-CG 3.44Å; T436-I465 HydrophobicContact CG2-CD1 3.9Å |
| 437 | T | 97.7 | Very high | 97.3 | Very high | 97 Ų | 97 | 53 Ų | 53 | 60% | 0.595 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 20.9 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | T434 M435 V462 | T434-T437 PolarHBondContact O-N 3.1Å; M435-T437 PolarHBondContact O-N 3.36Å; T437-V462 HydrophobicContact CG2-CG2 3.52Å |
| 438 | L | 97.8 | Very high | 97.2 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 53% | 0.534 | 32% | 0.316 | S | S | . | . | trans | -70.7 | -50.7 | 177.8 | -73 | 174.1 | 0 | 0 | 0 | 111.4 | V433 T436 | V433-L438 HydrophobicContact CG1-CB 4.12Å; V433-L438 WeakPolarHBondContact O-CB 3.19Å; V433-L438 PolarHBondContact O-N 3.39Å; T436-L438 PolarHBondContact O-N 3.41Å; T436-L438 VanDerWaalsContact O-N 3.15Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.26Å; T436-L438 WeakPolarHBondContact OG1-CG 3.44Å | ||
| 439 | G | 96.6 | Very high | 97.1 | Very high | 52 Ų | 52 | 59 Ų | 59 | 54% | 0.536 | 30% | 0.304 | S | S | . | . | trans | 57 | 57.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V433 G441 | V433-G439 PolarHBondContact O-N 3.31Å; G439-G441 PolarHBondContact O-N 3.01Å | ||
| 440 | Y | 97 | Very high | 97.1 | Very high | 146 Ų | 146 | 53.4 Ų | 53.4 | 57% | 0.573 | 28% | 0.282 | S | S | * | . | trans | -55.5 | -35.2 | 178.9 | -67.5 | -54.5 | 0 | 0 | 0 | 114 | W429 V433 | W429-Y440 AromaticContact CH2-CD2 3.99Å; W429-Y440 HydrophobicContact CH2-CD2 3.99Å; W429-Y440 AromaticContact CH2-CE2 3.54Å; W429-Y440 HydrophobicContact CH2-CE2 3.54Å; W429-Y440 AromaticContact CZ2-CD2 3.66Å; W429-Y440 HydrophobicContact CZ2-CD2 3.66Å; W429-Y440 AromaticContact CZ2-CE2 3.73Å; W429-Y440 HydrophobicContact CZ2-CE2 3.73Å; V433-Y440 HydrophobicContact CB-CD2 4.36Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.3Å; V433-Y440 HydrophobicContact CG1-CG 4.21Å; V433-Y440 HydrophobicContact CG2-CD2 3.67Å; V433-Y440 HydrophobicContact CG2-CE2 3.78Å | ||
| 441 | G | 95.8 | Very high | 97 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 85.8 | 7.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | G439 M443 Y444 | G439-G441 PolarHBondContact O-N 3.01Å; G441-M443 VanDerWaalsContact C-N 3.28Å; G441-Y444 WeakPolarHBondContact O-CD1 3.46Å |
| 442 | D | 96.9 | Very high | 97 | Very high | 78 Ų | 78 | 63.1 Ų | 63.1 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -66.2 | -32.3 | 169.7 | 62.8 | -38.6 | 0 | 0 | 0 | 112.2 | W429 | W429-D442 PolarHBondContact NE1-OD2 2.83Š|
| 443 | M | 95.4 | Very high | 97 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -138.3 | 132.3 | 177 | -67.4 | -170.7 | 65.3 | 0 | 0 | 110.7 | Q420 F421 I426 W430 G441 | Q420-M443 HydrophobicContact CB-CB 4.47Å; Q420-M443 HydrophobicContact CB-CE 3.55Å; Q420-M443 HydrophobicContact CB-CG 4.09Å; Q420-M443 WeakPolarHBondContact O-CE 3.29Å; F421-M443 HydrophobicContact CD1-CE 3.86Å; F421-M443 HydrophobicContact CE1-CE 3.95Å; F421-M443 HydrophobicContact CG-CE 4.26Å; F421-M443 HydrophobicContact CZ-CE 4.41Å; I426-M443 HydrophobicContact CG2-CE 3.06Å; I426-M443 HydrophobicContact CG2-SD 3.5Å; I426-M443 WeakPolarHBondContact CG2-SD 3.36Å; W430-M443 VanDerWaalsContact CD1-O 3.29Å; G441-M443 VanDerWaalsContact C-N 3.28Å |
| 444 | Y | 97.1 | Very high | 97 | Very high | 126 Ų | 126 | 61.6 Ų | 61.6 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | trans | -153.6 | 151 | 179.6 | 53.3 | -90.2 | 0 | 0 | 0 | 110.9 | G441 Q446 | G441-Y444 WeakPolarHBondContact O-CD1 3.46Å; Y444-Q446 HydrophobicContact CD2-CG 4.05Å; Y444-Q446 HydrophobicContact CE2-CG 3.85Å | ||
| 445 | P | 97 | Very high | 97 | Very high | 23 Ų | 23 | 63 Ų | 63 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | trans | -61.6 | 136.5 | 175.5 | 23 | -32.4 | 0 | 0 | 0 | 111.6 | I400 E404 G450 M451 | I400-P445 HydrophobicContact CD1-CB 4Å; E404-P445 WeakPolarHBondContact OE1-CA 3.46Å; P445-G450 WeakPolarHBondContact CB-O 3.23Å; P445-M451 HydrophobicContact CB-CG 4.27Å; P445-M451 HydrophobicContact CG-CG 4.31Å | ||
| 446 | Q | 94.9 | Very high | 97 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 38% | 0.379 | 36% | 0.359 | S | S | . | . | trans | -113.5 | -12.5 | 178.3 | -65.2 | -174.3 | -21.7 | 0 | 0 | 112.6 | E404 H418 Y444 | E404-Q446 PolarHBondContact OE1-N 3.41Å; E404-Q446 PolarHBondContact OE2-N 3.02Å; H418-Q446 PolarHBondContact O-OE1 2.87Å; Y444-Q446 HydrophobicContact CD2-CG 4.05Å; Y444-Q446 HydrophobicContact CE2-CG 3.85Å | ||
| 447 | T | 95.3 | Very high | 97.1 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 9% | 0.086 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -100 | 155.3 | 175 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | A403 E404 S449 G450 M451 | A403-T447 PolarHBondContact O-OG1 3.49Å; E404-T447 PolarHBondContact OE1-N 3.43Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å; E404-T447 VanDerWaalsContact OE1-OG1 3.08Å; T447-S449 PolarHBondContact O-N 2.86Å; T447-S449 PolarHBondContact OG1-OG 2.71Å; T447-S449 VanDerWaalsContact OG1-OG 3.1Å; T447-G450 CarbonylContact O-C 3.6Å; T447-G450 PolarHBondContact O-N 2.94Å; T447-G450 VanDerWaalsContact O-N 3.12Å; T447-G450 PolarHBondContact OG1-N 2.9Å; T447-M451 VanDerWaalsContact O-CG 3.28Å; T447-M451 WeakPolarHBondContact O-CG 3.41Å; T447-M451 PolarHBondContact O-N 3.36Å |
| 448 | W | 96.4 | Very high | 97.1 | Very high | 190 Ų | 190 | 61.7 Ų | 61.7 | 72% | 0.72 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.4 | -37.9 | 177.4 | 67.4 | -91.1 | 0 | 0 | 0 | 112.4 | V406 M451 L452 | V406-W448 HydrophobicContact CG1-CZ2 4.5Å; W448-M451 PolarHBondContact O-N 3.42Å; W448-L452 PolarHBondContact O-N 3.02Å; W448-L452 VanDerWaalsContact O-N 3.12Å |
| 449 | S | 96.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 176.1 | 42.4 | 0 | 0 | 0 | 0 | 110.6 | A403 T447 L452 V453 | A403-S449 PolarHBondContact O-OG 3.47Å; T447-S449 PolarHBondContact O-N 2.86Å; T447-S449 PolarHBondContact OG1-OG 2.71Å; T447-S449 VanDerWaalsContact OG1-OG 3.1Å; S449-L452 PolarHBondContact O-N 3.4Å; S449-V453 WeakPolarHBondContact O-CG2 3.08Å; S449-V453 PolarHBondContact O-N 2.97Å; S449-V453 VanDerWaalsContact O-N 3.12Å |
| 450 | G | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P445 T447 L452 V453 G454 | P445-G450 WeakPolarHBondContact CB-O 3.23Å; T447-G450 CarbonylContact O-C 3.6Å; T447-G450 PolarHBondContact O-N 2.94Å; T447-G450 VanDerWaalsContact O-N 3.12Å; T447-G450 PolarHBondContact OG1-N 2.9Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.23Å; G450-V453 PolarHBondContact O-N 3.35Å; G450-G454 PolarHBondContact O-N 2.7Å |
| 451 | M | 97.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 54.2 Ų | 54.2 | 53% | 0.532 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 178 | -71 | 174.5 | -174.5 | 0 | 0 | 111.7 | P445 T447 W448 G454 A455 | P445-M451 HydrophobicContact CB-CG 4.27Å; P445-M451 HydrophobicContact CG-CG 4.31Å; T447-M451 VanDerWaalsContact O-CG 3.28Å; T447-M451 WeakPolarHBondContact O-CG 3.41Å; T447-M451 PolarHBondContact O-N 3.36Å; W448-M451 PolarHBondContact O-N 3.42Å; M451-G454 PolarHBondContact O-N 3.45Å; M451-A455 PolarHBondContact O-N 3.39Å |
| 452 | L | 98.2 | Very high | 97.3 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 173.6 | -179.1 | 65.8 | 0 | 0 | 0 | 111.5 | W448 S449 G450 G454 A455 L456 | W448-L452 PolarHBondContact O-N 3.02Å; W448-L452 VanDerWaalsContact O-N 3.12Å; S449-L452 PolarHBondContact O-N 3.4Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.23Å; L452-G454 VanDerWaalsContact C-N 3.32Å; L452-G454 PolarHBondContact O-N 3.37Å; L452-A455 PolarHBondContact O-N 2.94Å; L452-L456 HydrophobicContact CG-CD1 4.37Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.2Å |
| 453 | V | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | F396 M399 I400 A403 W430 S449 G450 L456 C457 | F396-V453 HydrophobicContact CD1-CG1 4.22Å; M399-V453 HydrophobicContact CB-CG1 3.77Å; M399-V453 HydrophobicContact CB-CG2 4.27Å; M399-V453 HydrophobicContact CE-CG2 4.19Å; I400-V453 HydrophobicContact CB-CG1 4.09Å; I400-V453 HydrophobicContact CD1-CB 4.34Å; I400-V453 HydrophobicContact CD1-CG1 4.38Å; A403-V453 HydrophobicContact CB-CG2 3.83Å; W430-V453 HydrophobicContact CH2-CG1 4.38Å; S449-V453 WeakPolarHBondContact O-CG2 3.08Å; S449-V453 PolarHBondContact O-N 2.97Å; S449-V453 VanDerWaalsContact O-N 3.12Å; G450-V453 PolarHBondContact O-N 3.35Å; V453-L456 PolarHBondContact O-N 2.9Å; V453-C457 VanDerWaalsContact O-CB 3.23Å; V453-C457 WeakPolarHBondContact O-CB 3.23Å; V453-C457 PolarHBondContact O-N 2.87Å |
| 454 | G | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G450 M451 L452 C457 A458 | G450-G454 PolarHBondContact O-N 2.7Å; M451-G454 PolarHBondContact O-N 3.45Å; L452-G454 VanDerWaalsContact C-N 3.32Å; L452-G454 PolarHBondContact O-N 3.37Å; G454-C457 WeakPolarHBondContact O-CB 3.23Å; G454-C457 PolarHBondContact O-N 3.37Å; G454-A458 PolarHBondContact O-N 3.46Å |
| 455 | A | 98.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 54 Ų | 54 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M451 L452 A458 L459 | M451-A455 PolarHBondContact O-N 3.39Å; L452-A455 PolarHBondContact O-N 2.94Å; A455-A458 PolarHBondContact O-N 3.46Å; A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 2.83Å; A455-L459 VanDerWaalsContact O-N 3.16Å |
| 456 | L | 98.2 | Very high | 97 | Very high | 81 Ų | 81 | 55.6 Ų | 55.6 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 175.8 | -69.5 | 171.8 | 0 | 0 | 0 | 112.1 | F396 L452 V453 L459 A460 | F396-L456 HydrophobicContact CE1-CB 4.09Å; L452-L456 HydrophobicContact CG-CD1 4.37Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.2Å; V453-L456 PolarHBondContact O-N 2.9Å; L456-L459 PolarHBondContact O-N 2.92Å; L456-A460 VanDerWaalsContact O-CB 3.27Å; L456-A460 WeakPolarHBondContact O-CB 3.31Å; L456-A460 PolarHBondContact O-N 3.44Å |
| 457 | C | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 176.9 | -178 | 0 | 0 | 0 | 0 | 111.5 | F396 W430 T434 V453 G454 A460 G461 | F396-C457 HydrophobicContact CB-CB 4.28Å; F396-C457 HydrophobicContact CD1-CB 3.62Å; F396-C457 HydrophobicContact CD2-CB 4.23Å; F396-C457 HydrophobicContact CE1-CB 3.97Å; F396-C457 HydrophobicContact CG-CB 3.78Å; F396-C457 HydrophobicContact CZ-CB 4.43Å; W430-C457 HydrophobicContact CH2-CB 3.94Å; W430-C457 HydrophobicContact CZ3-CB 4.41Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; V453-C457 VanDerWaalsContact O-CB 3.23Å; V453-C457 WeakPolarHBondContact O-CB 3.23Å; V453-C457 PolarHBondContact O-N 2.87Å; G454-C457 WeakPolarHBondContact O-CB 3.23Å; G454-C457 PolarHBondContact O-N 3.37Å; C457-A460 PolarHBondContact O-N 3.01Å; C457-G461 PolarHBondContact O-N 3.16Å |
| 458 | A | 98.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T434 G454 A455 G461 V462 | T434-A458 HydrophobicContact CG2-CB 4.16Å; G454-A458 PolarHBondContact O-N 3.46Å; A455-A458 PolarHBondContact O-N 3.46Å; A458-G461 PolarHBondContact O-N 3.34Å; A458-V462 WeakPolarHBondContact O-CG2 3.46Å; A458-V462 PolarHBondContact O-N 3.45Å; A458-V462 VanDerWaalsContact O-N 3.12Å |
| 459 | L | 97.8 | Very high | 96.8 | Very high | 116 Ų | 116 | 50.3 Ų | 50.3 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 178.3 | -70.1 | 172.8 | 0 | 0 | 0 | 112.2 | A455 L456 G461 V462 L463 | A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 2.83Å; A455-L459 VanDerWaalsContact O-N 3.16Å; L456-L459 PolarHBondContact O-N 2.92Å; L459-G461 VanDerWaalsContact C-N 3.34Å; L459-G461 PolarHBondContact O-N 3.06Å; L459-V462 PolarHBondContact O-N 3.29Å; L459-L463 WeakPolarHBondContact O-CG 3.23Å; L459-L463 PolarHBondContact O-N 3.35Å; L459-L463 VanDerWaalsContact O-N 3.16Å |
| 460 | A | 97.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F396 L456 C457 L463 T464 | F396-A460 HydrophobicContact CE2-CB 3.51Å; F396-A460 HydrophobicContact CZ-CB 3.52Å; L456-A460 VanDerWaalsContact O-CB 3.27Å; L456-A460 WeakPolarHBondContact O-CB 3.31Å; L456-A460 PolarHBondContact O-N 3.44Å; C457-A460 PolarHBondContact O-N 3.01Å; A460-L463 PolarHBondContact O-N 3.09Å; A460-T464 WeakPolarHBondContact O-CB 3.49Å; A460-T464 VanDerWaalsContact O-CG2 3.27Å; A460-T464 WeakPolarHBondContact O-CG2 3.5Å; A460-T464 PolarHBondContact O-N 2.89Å; A460-T464 PolarHBondContact O-OG1 3.39Å |
| 461 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.3 | -50.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M435 C457 A458 L459 L463 T464 I465 | M435-G461 CarbonylContact O-C 3.58Å; M435-G461 VanDerWaalsContact O-CA 3.28Å; M435-G461 WeakPolarHBondContact O-CA 3.36Å; C457-G461 PolarHBondContact O-N 3.16Å; A458-G461 PolarHBondContact O-N 3.34Å; L459-G461 VanDerWaalsContact C-N 3.34Å; L459-G461 PolarHBondContact O-N 3.06Å; G461-L463 VanDerWaalsContact C-N 3.35Å; G461-L463 PolarHBondContact O-N 3.35Å; G461-T464 PolarHBondContact O-N 2.88Å; G461-T464 PolarHBondContact O-OG1 3.47Å; G461-I465 WeakPolarHBondContact O-CB 3.36Å; G461-I465 WeakPolarHBondContact O-CG1 3.29Å; G461-I465 PolarHBondContact O-N 3.05Å |
| 462 | V | 97.2 | Very high | 96.5 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 47% | 0.473 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | T437 A458 L459 A466 | T437-V462 HydrophobicContact CG2-CG2 3.52Å; A458-V462 WeakPolarHBondContact O-CG2 3.46Å; A458-V462 PolarHBondContact O-N 3.45Å; A458-V462 VanDerWaalsContact O-N 3.12Å; L459-V462 PolarHBondContact O-N 3.29Å; V462-A466 WeakPolarHBondContact O-CB 3.37Å; V462-A466 PolarHBondContact O-N 3.44Å |
| 463 | L | 96.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 51.6 Ų | 51.6 | 59% | 0.586 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | -179.2 | -68.1 | 174.3 | 0 | 0 | 0 | 112.5 | L459 A460 G461 A466 M467 | L459-L463 WeakPolarHBondContact O-CG 3.23Å; L459-L463 PolarHBondContact O-N 3.35Å; L459-L463 VanDerWaalsContact O-N 3.16Å; A460-L463 PolarHBondContact O-N 3.09Å; G461-L463 VanDerWaalsContact C-N 3.35Å; G461-L463 PolarHBondContact O-N 3.35Å; L463-A466 PolarHBondContact O-N 3.33Å; L463-M467 WeakPolarHBondContact O-CG 3.33Å; L463-M467 PolarHBondContact O-N 3.17Å |
| 464 | T | 95.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | -178.2 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | A460 G461 P468 | A460-T464 WeakPolarHBondContact O-CB 3.49Å; A460-T464 VanDerWaalsContact O-CG2 3.27Å; A460-T464 WeakPolarHBondContact O-CG2 3.5Å; A460-T464 PolarHBondContact O-N 2.89Å; A460-T464 PolarHBondContact O-OG1 3.39Å; G461-T464 PolarHBondContact O-N 2.88Å; G461-T464 PolarHBondContact O-OG1 3.47Å; T464-P468 WeakPolarHBondContact O-CD 3.34Å |
| 465 | I | 94.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 176.8 | -65.4 | 174.2 | 0 | 0 | 0 | 110.9 | T436 G461 M467 V469 | T436-I465 HydrophobicContact CG2-CD1 3.9Å; G461-I465 WeakPolarHBondContact O-CB 3.36Å; G461-I465 WeakPolarHBondContact O-CG1 3.29Å; G461-I465 PolarHBondContact O-N 3.05Å; I465-M467 PolarHBondContact O-N 3.25Å; I465-V469 HydrophobicContact CG2-CG2 3.85Å; I465-V469 WeakPolarHBondContact O-CB 3.42Å; I465-V469 VanDerWaalsContact O-CG2 3.23Å; I465-V469 WeakPolarHBondContact O-CG2 3.39Å; I465-V469 PolarHBondContact O-N 3.26Å |
| 466 | A | 95.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.2 | -11.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | V462 L463 P470 | V462-A466 WeakPolarHBondContact O-CB 3.37Å; V462-A466 PolarHBondContact O-N 3.44Å; L463-A466 PolarHBondContact O-N 3.33Å; A466-P470 WeakPolarHBondContact O-CD 3.45Å; A466-P470 WeakPolarHBondContact O-CG 3.35Å |
| 467 | M | 92.1 | Very high | 95.5 | Very high | 118 Ų | 118 | 54.5 Ų | 54.5 | 58% | 0.581 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -60.9 | 178.6 | -74.1 | 178 | -168 | 0 | 0 | 113.1 | F388 L463 I465 | F388-M467 HydrophobicContact CE2-SD 4.18Å; L463-M467 WeakPolarHBondContact O-CG 3.33Å; L463-M467 PolarHBondContact O-N 3.17Å; I465-M467 PolarHBondContact O-N 3.25Å |
| 468 | P | 94 | Very high | 95.2 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -29.1 | -176.5 | 31.5 | -36 | 0 | 0 | 0 | 114 | L385 T464 V471 I472 | L385-P468 HydrophobicContact CB-CB 4.27Å; L385-P468 HydrophobicContact CB-CG 3.72Å; L385-P468 HydrophobicContact CD1-CG 3.76Å; L385-P468 HydrophobicContact CG-CG 4.25Å; T464-P468 WeakPolarHBondContact O-CD 3.34Å; P468-V471 WeakPolarHBondContact O-CB 3.15Å; P468-V471 PolarHBondContact O-N 3.49Å; P468-V471 VanDerWaalsContact O-N 3.14Å; P468-I472 PolarHBondContact O-N 2.9Å |
| 469 | V | 95.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | -173.6 | 173.5 | 0 | 0 | 0 | 0 | 112.9 | L385 I465 V471 I472 V473 | L385-V469 HydrophobicContact CD2-CG2 4.36Å; I465-V469 HydrophobicContact CG2-CG2 3.85Å; I465-V469 WeakPolarHBondContact O-CB 3.42Å; I465-V469 VanDerWaalsContact O-CG2 3.23Å; I465-V469 WeakPolarHBondContact O-CG2 3.39Å; I465-V469 PolarHBondContact O-N 3.26Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 PolarHBondContact O-N 2.81Å; V469-I472 PolarHBondContact O-N 3.21Å; V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 WeakPolarHBondContact O-CG2 3.29Å; V469-V473 PolarHBondContact O-N 3.34Å |
| 470 | P | 96.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 55 Ų | 55 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.1 | -32.7 | 176.3 | -26.7 | 37.1 | 0 | 0 | 0 | 113.9 | A466 V473 N474 | A466-P470 WeakPolarHBondContact O-CD 3.45Å; A466-P470 WeakPolarHBondContact O-CG 3.35Å; P470-V473 PolarHBondContact O-N 3.32Å; P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 3.48Å |
| 471 | V | 94.5 | Very high | 94.4 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 39% | 0.394 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 176 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | E381 P468 V469 V473 N474 N475 | E381-V471 HydrophobicContact CG-CB 4.25Å; E381-V471 HydrophobicContact CG-CG1 3.81Å; P468-V471 WeakPolarHBondContact O-CB 3.15Å; P468-V471 PolarHBondContact O-N 3.49Å; P468-V471 VanDerWaalsContact O-N 3.14Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 PolarHBondContact O-N 2.81Å; V471-V473 VanDerWaalsContact C-N 3.35Å; V471-V473 PolarHBondContact O-N 2.81Å; V471-N474 PolarHBondContact O-N 3.04Å; V471-N475 PolarHBondContact O-N 3.34Å |
| 472 | I | 94.7 | Very high | 94 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 177.4 | -60.2 | 168.6 | 0 | 0 | 0 | 110.8 | E381 F382 P468 V469 N474 N475 F476 | E381-I472 HydrophobicContact CB-CD1 4.02Å; E381-I472 HydrophobicContact CB-CG1 3.67Å; E381-I472 HydrophobicContact CG-CG1 4.41Å; F382-I472 HydrophobicContact CD1-CD1 4.34Å; F382-I472 HydrophobicContact CD2-CD1 4.29Å; F382-I472 HydrophobicContact CE1-CD1 4.2Å; F382-I472 HydrophobicContact CE2-CD1 4.11Å; F382-I472 HydrophobicContact CE2-CG2 4.05Å; F382-I472 HydrophobicContact CG-CD1 4.37Å; F382-I472 HydrophobicContact CZ-CD1 4.06Å; F382-I472 HydrophobicContact CZ-CG2 4.09Å; P468-I472 PolarHBondContact O-N 2.9Å; V469-I472 PolarHBondContact O-N 3.21Å; I472-N474 VanDerWaalsContact C-N 3.35Å; I472-N474 PolarHBondContact O-N 2.95Å; I472-N475 PolarHBondContact O-N 2.95Å; I472-F476 PolarHBondContact O-N 3.22Å |
| 473 | V | 95.9 | Very high | 93.6 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | V469 P470 V471 F476 G477 | V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 WeakPolarHBondContact O-CG2 3.29Å; V469-V473 PolarHBondContact O-N 3.34Å; P470-V473 PolarHBondContact O-N 3.32Å; V471-V473 VanDerWaalsContact C-N 3.35Å; V471-V473 PolarHBondContact O-N 2.81Å; V473-F476 WeakPolarHBondContact O-CB 3.38Å; V473-F476 PolarHBondContact O-N 3.12Å; V473-G477 PolarHBondContact O-N 3.46Å |
| 474 | N | 94.3 | Very high | 93.2 | Very high | 94 Ų | 94 | 52 Ų | 52 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 175.1 | -173.8 | 61 | 0 | 0 | 0 | 111.5 | P470 V471 I472 F476 G477 M478 | P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 3.48Å; V471-N474 PolarHBondContact O-N 3.04Å; I472-N474 VanDerWaalsContact C-N 3.35Å; I472-N474 PolarHBondContact O-N 2.95Å; N474-F476 VanDerWaalsContact C-N 3.32Å; N474-F476 PolarHBondContact O-N 3.44Å; N474-G477 PolarHBondContact O-N 3.2Å; N474-G477 VanDerWaalsContact O-N 3.16Å; N474-M478 WeakPolarHBondContact O-CG 3.37Å; N474-M478 PolarHBondContact O-N 3.47Å |
| 475 | N | 92.3 | Very high | 92.9 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 174.4 | -71.2 | -7.6 | 0 | 0 | 0 | 111.8 | T374 S378 V471 I472 M478 Y479 | T374-N475 HydrophobicContact CG2-CB 4.12Å; S378-N475 PolarHBondContact OG-ND2 3.17Å; V471-N475 PolarHBondContact O-N 3.34Å; I472-N475 PolarHBondContact O-N 2.95Å; N475-M478 PolarHBondContact O-N 2.96Å; N475-Y479 VanDerWaalsContact O-CG 3.31Å; N475-Y479 PolarHBondContact O-N 3.26Å; N475-Y479 VanDerWaalsContact O-N 3.1Å |
| 476 | F | 93.7 | Very high | 92.4 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 31% | 0.311 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 173.7 | -177.7 | -106.2 | 0 | 0 | 0 | 111.7 | V370 L371 T374 I472 V473 N474 M478 Y479 Y480 | V370-F476 HydrophobicContact CG1-CD2 4.25Å; V370-F476 HydrophobicContact CG1-CE2 3.99Å; L371-F476 HydrophobicContact CB-CE2 4.17Å; L371-F476 HydrophobicContact CD1-CD2 4.31Å; L371-F476 HydrophobicContact CD1-CE2 4.34Å; T374-F476 HydrophobicContact CG2-CB 3.81Å; T374-F476 HydrophobicContact CG2-CD2 4.44Å; T374-F476 WeakPolarHBondContact OG1-CA 3.28Å; I472-F476 PolarHBondContact O-N 3.22Å; V473-F476 WeakPolarHBondContact O-CB 3.38Å; V473-F476 PolarHBondContact O-N 3.12Å; N474-F476 VanDerWaalsContact C-N 3.32Å; N474-F476 PolarHBondContact O-N 3.44Å; F476-M478 VanDerWaalsContact C-N 3.33Å; F476-M478 PolarHBondContact O-N 3.44Å; F476-Y479 PolarHBondContact O-N 3.49Å; F476-Y480 HydrophobicContact CZ-CD2 4.21Å; F476-Y480 WeakPolarHBondContact O-CB 3.39Å; F476-Y480 PolarHBondContact O-N 3.21Å |
| 477 | G | 94.3 | Very high | 91.6 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V473 N474 S481 | V473-G477 PolarHBondContact O-N 3.46Å; N474-G477 PolarHBondContact O-N 3.2Å; N474-G477 VanDerWaalsContact O-N 3.16Å; G477-S481 VanDerWaalsContact O-CB 3.3Å; G477-S481 WeakPolarHBondContact O-CB 3.42Å; G477-S481 PolarHBondContact O-N 3.45Å; G477-S481 PolarHBondContact O-OG 2.66Å |
| 478 | M | 91.4 | Very high | 91.2 | Very high | 43 Ų | 43 | 58 Ų | 58 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -52.5 | 176.1 | -67.6 | -168.9 | -53.5 | 0 | 0 | 111.8 | Q158 N474 N475 F476 Y480 S481 L482 | Q158-M478 HydrophobicContact CG-SD 3.77Å; Q158-M478 PolarHBondContact NE2-SD 3.48Å; N474-M478 WeakPolarHBondContact O-CG 3.37Å; N474-M478 PolarHBondContact O-N 3.47Å; N475-M478 PolarHBondContact O-N 2.96Å; F476-M478 VanDerWaalsContact C-N 3.33Å; F476-M478 PolarHBondContact O-N 3.44Å; M478-Y480 VanDerWaalsContact C-N 3.35Å; M478-Y480 PolarHBondContact O-N 3.41Å; M478-S481 PolarHBondContact O-N 3.12Å; M478-L482 PolarHBondContact O-N 3.08Å |
| 479 | Y | 92.1 | Very high | 90.6 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 7% | 0.071 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | -178.2 | -62.7 | -16.1 | 0 | 0 | 0 | 112.4 | A162 A165 T374 A377 N475 F476 L482 A483 | A162-Y479 HydrophobicContact CB-CD1 3.89Å; A162-Y479 HydrophobicContact CB-CE1 3.84Å; A165-Y479 HydrophobicContact CB-CE1 3.92Å; A165-Y479 HydrophobicContact CB-CE2 4.06Å; T374-Y479 WeakPolarHBondContact OG1-CD2 3.35Å; A377-Y479 HydrophobicContact CB-CE2 3.68Å; A377-Y479 WeakPolarHBondContact CB-OH 3.11Å; N475-Y479 VanDerWaalsContact O-CG 3.31Å; N475-Y479 PolarHBondContact O-N 3.26Å; N475-Y479 VanDerWaalsContact O-N 3.1Å; F476-Y479 PolarHBondContact O-N 3.49Å; Y479-L482 PolarHBondContact O-N 2.88Å; Y479-A483 VanDerWaalsContact O-CB 3.29Å; Y479-A483 WeakPolarHBondContact O-CB 3.43Å; Y479-A483 PolarHBondContact O-N 3.46Å |
| 480 | Y | 91.9 | Very high | 89.8 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 38% | 0.384 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.4 | -175.4 | -98.9 | 0 | 0 | 0 | 111.5 | V370 F476 M478 L482 A483 M484 | V370-Y480 HydrophobicContact CG1-CD2 4.45Å; F476-Y480 HydrophobicContact CZ-CD2 4.21Å; F476-Y480 WeakPolarHBondContact O-CB 3.39Å; F476-Y480 PolarHBondContact O-N 3.21Å; M478-Y480 VanDerWaalsContact C-N 3.35Å; M478-Y480 PolarHBondContact O-N 3.41Å; Y480-L482 PolarHBondContact O-N 3.3Å; Y480-A483 PolarHBondContact O-N 2.88Å; Y480-M484 HydrophobicContact CD1-CG 4.1Å; Y480-M484 HydrophobicContact CE1-CG 3.73Å; Y480-M484 HydrophobicContact CE2-CE 4.09Å; Y480-M484 HydrophobicContact CE2-CG 4.25Å; Y480-M484 HydrophobicContact CE2-SD 4.42Å; Y480-M484 WeakPolarHBondContact O-CB 3.21Å; Y480-M484 VanDerWaalsContact O-CG 3.25Å; Y480-M484 WeakPolarHBondContact O-CG 3.38Å; Y480-M484 PolarHBondContact O-N 3.44Å |
| 481 | S | 92.3 | Very high | 88.5 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 178.8 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | G477 M478 M484 A485 | G477-S481 VanDerWaalsContact O-CB 3.3Å; G477-S481 WeakPolarHBondContact O-CB 3.42Å; G477-S481 PolarHBondContact O-N 3.45Å; G477-S481 PolarHBondContact O-OG 2.66Å; M478-S481 PolarHBondContact O-N 3.12Å; S481-M484 PolarHBondContact O-N 2.82Å; S481-A485 WeakPolarHBondContact O-CB 3.36Å; S481-A485 PolarHBondContact O-N 3.03Å |
| 482 | L | 90 | Very high | 87.1 | Confident | 29 Ų | 29 | 77.4 Ų | 77.4 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 176.8 | -178.8 | 60 | 0 | 0 | 0 | 111.9 | A162 L166 M478 Y479 Y480 M484 A485 K486 | A162-L482 HydrophobicContact CB-CD2 3.7Å; L166-L482 HydrophobicContact CD1-CB 3.87Å; L166-L482 HydrophobicContact CD1-CD2 3.62Å; L166-L482 HydrophobicContact CD1-CG 3.61Å; L166-L482 HydrophobicContact CG-CD2 4.45Å; M478-L482 PolarHBondContact O-N 3.08Å; Y479-L482 PolarHBondContact O-N 2.88Å; Y480-L482 PolarHBondContact O-N 3.3Å; L482-M484 PolarHBondContact O-N 2.99Å; L482-A485 PolarHBondContact O-N 3.12Å; L482-K486 PolarHBondContact O-N 3.44Å |
| 483 | A | 87.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 86.6 Ų | 86.6 | 9% | 0.091 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L166 V370 Y479 Y480 A485 K486 Q487 | L166-A483 HydrophobicContact CD1-CB 4.16Å; V370-A483 HydrophobicContact CG2-CB 3.62Å; Y479-A483 VanDerWaalsContact O-CB 3.29Å; Y479-A483 WeakPolarHBondContact O-CB 3.43Å; Y479-A483 PolarHBondContact O-N 3.46Å; Y480-A483 PolarHBondContact O-N 2.88Å; A483-A485 VanDerWaalsContact C-N 3.33Å; A483-A485 PolarHBondContact O-N 3.38Å; A483-K486 PolarHBondContact O-N 3.12Å; A483-Q487 WeakPolarHBondContact O-CG 3.48Å; A483-Q487 PolarHBondContact O-N 3.38Å |
| 484 | M | 88.2 | Confident | 84.4 | Confident | 39 Ų | 39 | 91.9 Ų | 91.9 | 19% | 0.192 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 175.5 | -70.1 | -61 | 108.2 | 0 | 0 | 112.3 | V366 Y480 S481 L482 Q487 K488 | V366-M484 HydrophobicContact CB-CE 4.31Å; V366-M484 HydrophobicContact CG1-CE 3.71Å; Y480-M484 HydrophobicContact CD1-CG 4.1Å; Y480-M484 HydrophobicContact CE1-CG 3.73Å; Y480-M484 HydrophobicContact CE2-CE 4.09Å; Y480-M484 HydrophobicContact CE2-CG 4.25Å; Y480-M484 HydrophobicContact CE2-SD 4.42Å; Y480-M484 WeakPolarHBondContact O-CB 3.21Å; Y480-M484 VanDerWaalsContact O-CG 3.25Å; Y480-M484 WeakPolarHBondContact O-CG 3.38Å; Y480-M484 PolarHBondContact O-N 3.44Å; S481-M484 PolarHBondContact O-N 2.82Å; L482-M484 PolarHBondContact O-N 2.99Å; M484-Q487 VanDerWaalsContact CE-OE1 3.25Å; M484-Q487 PolarHBondContact O-N 3.49Å; M484-K488 WeakPolarHBondContact O-CG 3.21Å; M484-K488 PolarHBondContact O-N 2.72Å; M484-K488 VanDerWaalsContact O-N 3.08Å |
| 485 | A | 88.8 | Confident | 83.5 | Confident | 43 Ų | 43 | 96.6 Ų | 96.6 | 36% | 0.355 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S481 L482 A483 Q487 K488 L489 | S481-A485 WeakPolarHBondContact O-CB 3.36Å; S481-A485 PolarHBondContact O-N 3.03Å; L482-A485 PolarHBondContact O-N 3.12Å; A483-A485 VanDerWaalsContact C-N 3.33Å; A483-A485 PolarHBondContact O-N 3.38Å; A485-Q487 PolarHBondContact O-N 3.36Å; A485-K488 PolarHBondContact O-N 3.1Å; A485-L489 WeakPolarHBondContact O-CD1 3.45Å; A485-L489 WeakPolarHBondContact O-CG 3.36Å; A485-L489 PolarHBondContact O-N 2.9Å |
| 486 | K | 85.3 | Confident | 82.8 | Confident | 68 Ų | 68 | 102.4 Ų | 102.4 | 30% | 0.296 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.5 | -35.1 | 175.3 | -74.7 | -166.9 | 175.4 | -164.9 | 0 | 111.6 | E163 D167 L482 A483 | E163-K486 IonicContact OE1-NZ 2.65Å; E163-K486 PolarHBondContact OE1-NZ 3.23Å; D167-K486 IonicContact OD1-NZ 3.26Å; D167-K486 PolarHBondContact OD1-NZ 3.02Å; L482-K486 PolarHBondContact O-N 3.44Å; A483-K486 PolarHBondContact O-N 3.12Å |
| 487 | Q | 78.9 | Confident | 81.9 | Confident | 91 Ų | 91 | 106.1 Ų | 106.1 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.9 | -34.1 | 177.3 | -73.3 | -171.7 | -27.7 | 0 | 0 | 115 | A483 M484 A485 | A483-Q487 WeakPolarHBondContact O-CG 3.48Å; A483-Q487 PolarHBondContact O-N 3.38Å; M484-Q487 VanDerWaalsContact CE-OE1 3.25Å; M484-Q487 PolarHBondContact O-N 3.49Å; A485-Q487 PolarHBondContact O-N 3.36Å |
| 488 | K | 83.4 | Confident | 81.1 | Confident | 174 Ų | 174 | 109 Ų | 109 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -81.4 | -28.7 | -178.9 | -74.1 | 176.9 | -179.5 | 178.8 | 0 | 112.8 | M484 A485 | M484-K488 WeakPolarHBondContact O-CG 3.21Å; M484-K488 PolarHBondContact O-N 2.72Å; M484-K488 VanDerWaalsContact O-N 3.08Å; A485-K488 PolarHBondContact O-N 3.1Å |
| 489 | L | 81.8 | Confident | 80.2 | Confident | 115 Ų | 115 | 112.3 Ų | 112.3 | 60% | 0.602 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -69.8 | 128.6 | 178.9 | -75.6 | 162.5 | 0 | 0 | 0 | 109.8 | A485 | A485-L489 WeakPolarHBondContact O-CD1 3.45Å; A485-L489 WeakPolarHBondContact O-CG 3.36Å; A485-L489 PolarHBondContact O-N 2.9Å |
| 490 | P | 77.9 | Confident | 78.5 | Confident | 108 Ų | 108 | 115.4 Ų | 115.4 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147.2 | 174.1 | 27.4 | -33.8 | 0 | 0 | 0 | 109.6 | K492 | P490-K492 PolarHBondContact O-N 3.45Å; P490-K492 VanDerWaalsContact O-N 3.11Å |
| 491 | R | 69.3 | Low | 76.3 | Confident | 180 Ų | 180 | 116.7 Ų | 116.7 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 124.1 | 175.6 | -65.3 | -176.2 | 87.8 | 164.8 | 3.2 | 108.8 | R493 | R491-R493 PolarHBondContact O-N 3.34Š|
| 492 | K | 65.5 | Low | 73.5 | Confident | 201 Ų | 201 | 121.3 Ų | 121.3 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -60.9 | 106.7 | -174.1 | -71.1 | -177.2 | 179.9 | 176.5 | 0 | 109.2 | P490 K494 | P490-K492 PolarHBondContact O-N 3.45Å; P490-K492 VanDerWaalsContact O-N 3.11Å; K492-K494 PolarHBondContact O-N 3.27Å | ||
| 493 | R | 62.9 | Low | 70.8 | Confident | 214 Ų | 214 | 125.1 Ų | 125.1 | 81% | 0.808 | 64% | 0.642 | S | S | * | * | trans | -70.9 | 119.5 | 158.5 | -58.9 | -176.5 | 97.5 | 179.4 | 5.2 | 105.7 | R491 K495 | R491-R493 PolarHBondContact O-N 3.34Å; R493-K495 PolarHBondContact O-N 3.48Å | ||
| 494 | K | 69.9 | Low | 68 | Low | 200 Ų | 200 | 128.8 Ų | 128.8 | 87% | 0.87 | 67% | 0.667 | S | S | * | * | trans | -63.6 | 81.5 | 178.1 | -70.7 | -179.9 | 179.8 | 176.1 | 0 | 109.5 | K492 H496 | K492-K494 PolarHBondContact O-N 3.27Å; K494-H496 VanDerWaalsContact C-N 3.3Å | ||
| 495 | K | 76.2 | Confident | 65.3 | Low | 194 Ų | 194 | 131.2 Ų | 131.2 | 84% | 0.843 | 69% | 0.687 | S | S | * | * | trans | -70.3 | -31.2 | 178.7 | -72.6 | -177.7 | 176.9 | -178.2 | 0 | 111.8 | R493 I497 | R493-K495 PolarHBondContact O-N 3.48Å; K495-I497 PolarHBondContact O-N 3.1Å | ||
| 496 | H | 76.8 | Confident | 62.8 | Low | 147 Ų | 147 | 133.5 Ų | 133.5 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | trans | -80.6 | 113.4 | 176.3 | -174.8 | -95.9 | 0 | 0 | 0 | 109.3 | K494 P498 | K494-H496 VanDerWaalsContact C-N 3.3Å; H496-P498 WeakPolarHBondContact O-CD 3.41Å | ||
| 497 | I | 75 | Confident | 60.4 | Low | 148 Ų | 148 | 136.2 Ų | 136.2 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | -88.5 | 112.4 | 171.5 | -58.1 | 170.2 | 0 | 0 | 0 | 105.6 | K495 | K495-I497 PolarHBondContact O-N 3.1Š| ||
| 498 | P | 77.1 | Confident | 58.2 | Low | 93 Ų | 93 | 140.9 Ų | 140.9 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.8 | 178.1 | 25 | -32 | 0 | 0 | 0 | 109.5 | H496 A500 | H496-P498 WeakPolarHBondContact O-CD 3.41Å; P498-A500 PolarHBondContact O-N 3.3Å |
| 499 | P | 72.6 | Confident | 55.8 | Low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 138.5 | 170.4 | -21.9 | 31.4 | 0 | 0 | 0 | 109.7 | ||
| 500 | A | 56.7 | Low | 53.4 | Low | 83 Ų | 83 | 140.9 Ų | 140.9 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | P498 Q502 | P498-A500 PolarHBondContact O-N 3.3Å; A500-Q502 PolarHBondContact O-N 2.84Å |
| 501 | P | 44.8 | Very low | 51.2 | Low | 126 Ų | 126 | 141.5 Ų | 141.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -57.6 | 113.1 | 174.3 | 21.6 | -30.1 | 0 | 0 | 0 | 108.2 | A503 | P501-A503 PolarHBondContact O-N 3.39Š| ||
| 502 | Q | 35.3 | Very low | 49.6 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -61.5 | 121 | 169.4 | -73.1 | -174.9 | 3.2 | 0 | 0 | 106.9 | A500 S504 | A500-Q502 PolarHBondContact O-N 2.84Å; Q502-S504 PolarHBondContact O-N 2.85Å | ||
| 503 | A | 32.3 | Very low | 48 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -67.9 | 73.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P501 | P501-A503 PolarHBondContact O-N 3.39Š|
| 504 | S | 29.1 | Very low | 46.7 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | -167.9 | 65.5 | 168.8 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | Q502 | Q502-S504 PolarHBondContact O-N 2.85Š| ||
| 505 | S | 32 | Very low | 45.1 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -165.1 | 116.8 | 157.4 | -82.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 506 | P | 36.4 | Very low | 43 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 59% | 0.591 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 133.5 | 179.5 | 16.4 | -11.7 | 0 | 0 | 0 | 110.8 | F508 | P506-F508 PolarHBondContact O-N 3.1Š| ||
| 507 | T | 35.5 | Very low | 41 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -40 | 120.5 | 171.3 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | C509 | T507-C509 VanDerWaalsContact C-N 3.33Å; T507-C509 PolarHBondContact O-N 3.42Å | ||
| 508 | F | 32.5 | Very low | 38.9 | Very low | 189 Ų | 189 | 131 Ų | 131 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -69.2 | 91.6 | 168 | -172.9 | -97.6 | 0 | 0 | 0 | 108.7 | P506 K510 | P506-F508 PolarHBondContact O-N 3.1Å; F508-K510 HydrophobicContact CE1-CG 4.44Å; F508-K510 PolarHBondContact O-N 3.14Å | ||
| 509 | C | 31.7 | Very low | 37.1 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 64% | 0.635 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 115.9 | 165.1 | -80.9 | 0 | 0 | 0 | 0 | 108.7 | T507 T511 | T507-C509 VanDerWaalsContact C-N 3.33Å; T507-C509 PolarHBondContact O-N 3.42Å; C509-T511 VanDerWaalsContact C-N 3.31Å; C509-T511 PolarHBondContact O-N 3.04Å | ||
| 510 | K | 32.6 | Very low | 35.3 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -66.5 | 89.1 | 166.1 | -134.3 | 174.4 | -175.6 | 171.2 | 0 | 107.3 | F508 | F508-K510 HydrophobicContact CE1-CG 4.44Å; F508-K510 PolarHBondContact O-N 3.14Å | ||
| 511 | T | 32.1 | Very low | 34.3 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -93.4 | 107.9 | 171.9 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | C509 L513 | C509-T511 VanDerWaalsContact C-N 3.31Å; C509-T511 PolarHBondContact O-N 3.04Å; T511-L513 PolarHBondContact O-N 3.06Å | ||
| 512 | E | 33.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -57.8 | 123.8 | 168.2 | -63.9 | -158.4 | 136.3 | 0 | 0 | 110 | N514 | E512-N514 PolarHBondContact O-N 3.47Š| ||
| 513 | L | 33.7 | Very low | 33.6 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -68.9 | 102.1 | 163.5 | -90.8 | 146.5 | 0 | 0 | 0 | 107.9 | T511 | T511-L513 PolarHBondContact O-N 3.06Š| ||
| 514 | N | 35.4 | Very low | 33.7 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -152.8 | 121 | 151.7 | -112.2 | -12.2 | 0 | 0 | 0 | 113.3 | E512 | E512-N514 PolarHBondContact O-N 3.47Š| ||
| 515 | M | 34.7 | Very low | 33.6 | Very low | 181 Ų | 181 | 138 Ų | 138 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | trans | 66.4 | 119.4 | 156.5 | -77.8 | 177.4 | -177 | 0 | 0 | 120.9 | ||||
| 516 | A | 32.2 | Very low | 33.5 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -58 | 143.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 517 | C | 35.1 | Very low | 33.2 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | -174.5 | 135.3 | 121.4 | -103.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 518 | N | 31.3 | Very low | 33 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -61 | 142.3 | 177.7 | -65.8 | -33.4 | 0 | 0 | 0 | 112.8 | ||||
| 519 | S | 40 | Very low | 32.8 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | 177.3 | 140.1 | 121.2 | 35.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 520 | T | 34 | Very low | 32.8 | Very low | 138 Ų | 138 | 147 Ų | 147 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -69.5 | 129.4 | 177.7 | 37.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 521 | Q | 35.9 | Very low | 32.8 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | trans | -165.3 | 139.1 | 132.1 | -130.1 | 166.5 | 23.3 | 0 | 0 | 112.1 | ||||
| 522 | S | 31.6 | Very low | 32.8 | Very low | 91 Ų | 91 | 152 Ų | 152 | 64% | 0.636 | 84% | 0.839 | S | S | * | * | trans | -55.7 | 143.2 | 171.9 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 523 | D | 34.9 | Very low | 32.7 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 84% | 0.843 | S | S | * | * | 169.7 | 127.7 | 121.6 | -82.3 | -15.9 | 0 | 0 | 0 | 113.2 | |||||
| 524 | T | 34.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | trans | 62.2 | 124.7 | 141.3 | -32.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 525 | C | 25.2 | Very low | 32.6 | Very low | 112 Ų | 112 | 153 Ų | 153 | 76% | 0.757 | 84% | 0.839 | S | S | * | * | trans | -49.4 | 141.2 | 172 | -53.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 526 | L | 31 | Very low | 32.6 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | 168.8 | 121.6 | 120.5 | -107.1 | 134.8 | 0 | 0 | 0 | 112.3 | |||||
| 527 | G | 29.3 | Very low | 32.7 | Very low | 73 Ų | 73 | 158.8 Ų | 158.8 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | trans | 19.8 | 114.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 528 | K | 32.1 | Very low | 32.7 | Very low | 207 Ų | 207 | 157.2 Ų | 157.2 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | trans | -163.4 | 71.5 | 149.2 | -130.2 | 165.7 | -175.9 | 166 | 0 | 113.8 | ||||
| 529 | D | 28.8 | Very low | 32.6 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -97 | 101.3 | 163.4 | -75.8 | -41.3 | 0 | 0 | 0 | 109.8 | ||||
| 530 | N | 31.4 | Very low | 32.4 | Very low | 161 Ų | 161 | 156 Ų | 156 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | 172.6 | 81.5 | 148.3 | -98.6 | -8.5 | 0 | 0 | 0 | 109.4 | ||||
| 531 | R | 32.2 | Very low | 32.5 | Very low | 253 Ų | 253 | 157.9 Ų | 157.9 | 96% | 0.955 | 82% | 0.816 | S | S | * | * | trans | -161.4 | 25.9 | 164.9 | -116.7 | 174.9 | -166.7 | -141.8 | 1.8 | 115.8 | ||||
| 532 | L | 31.2 | Very low | 32.3 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -127.4 | 40.8 | -174.8 | -126.2 | 155.9 | 0 | 0 | 0 | 113.4 | ||||
| 533 | L | 33.1 | Very low | 32.5 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -133 | 39 | 173.5 | -102.9 | 163.6 | 0 | 0 | 0 | 111.2 | ||
| 534 | E | 33.7 | Very low | 32.8 | Very low | 188 Ų | 188 | 160.3 Ų | 160.3 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -138.3 | 0.4 | 172.9 | -101.1 | -178.2 | 138.3 | 0 | 0 | 114.6 | ||
| 535 | H | 31.8 | Very low | 32.9 | Very low | 156 Ų | 156 | 157.9 Ų | 157.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -99.9 | -5.4 | -173.9 | -152 | -85.6 | 0 | 0 | 0 | 115.9 | ||
| 536 | N | 34.4 | Very low | 33.5 | Very low | 159 Ų | 159 | 159.1 Ų | 159.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -98.8 | 6.4 | 178.1 | -84 | -20.1 | 0 | 0 | 0 | 115.1 | ||
| 537 | R | 36 | Very low | 33.8 | Very low | 236 Ų | 236 | 158 Ų | 158 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -89.9 | -4.3 | 175.4 | -133.9 | 174.4 | 175.8 | 127.8 | -0.1 | 113.8 | ||
| 538 | S | 34.1 | Very low | 34.1 | Very low | 99 Ų | 99 | 160 Ų | 160 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -95.7 | -2.3 | -175.3 | -179.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 539 | G | 30.1 | Very low | 34.1 | Very low | 57 Ų | 57 | 158.5 Ų | 158.5 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -94.4 | -16.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 540 | Y | 35.4 | Very low | 34.3 | Very low | 199 Ų | 199 | 156 Ų | 156 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -100.3 | -4.7 | -167.1 | -89.9 | -90.9 | 0 | 0 | 0 | 115.6 | K542 | Y540-K542 PolarHBondContact O-N 3.11Š|
| 541 | E | 35.7 | Very low | 34.4 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -9.8 | 174.1 | -83.6 | -172.8 | 134.1 | 0 | 0 | 113.6 | ||
| 542 | K | 32 | Very low | 34.3 | Very low | 179 Ų | 179 | 149 Ų | 149 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -15.6 | -178.6 | -141.3 | 169.8 | -175.7 | 177.8 | 0 | 114.6 | Y540 | Y540-K542 PolarHBondContact O-N 3.11Š|
| 543 | S | 35.8 | Very low | 34.4 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 54% | 0.538 | 78% | 0.782 | S | S | . | * | G | 310 helix | trans | -84.6 | -14.1 | 177.2 | -74.8 | 0 | 0 | 0 | 0 | 114.6 | S545 L546 | S543-S545 PolarHBondContact O-N 3.32Å; S543-L546 PolarHBondContact O-N 3.48Å |
| 544 | R | 40.5 | Very low | 34.3 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -71.3 | -13.3 | 171.2 | -85.5 | -175.9 | 174.5 | 165.3 | 0.5 | 113.5 | ||
| 545 | S | 37.8 | Very low | 34.3 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 57% | 0.566 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -92.3 | -5.6 | 179.3 | -166.3 | 0 | 0 | 0 | 0 | 114.2 | S543 | S543-S545 PolarHBondContact O-N 3.32Š|
| 546 | L | 37 | Very low | 34.4 | Very low | 139 Ų | 139 | 137 Ų | 137 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -112.8 | 7.1 | -176.2 | -77.8 | 171.7 | 0 | 0 | 0 | 115 | S543 N548 | S543-L546 PolarHBondContact O-N 3.48Å; L546-N548 PolarHBondContact O-N 3.42Å |
| 547 | N | 37.3 | Very low | 34.1 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -85.6 | 24.8 | 164.6 | -75.2 | -2 | 0 | 0 | 0 | 112.7 | ||||
| 548 | N | 34.7 | Very low | 33.8 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | -100.9 | 126.1 | 166.2 | -71.8 | -46.8 | 0 | 0 | 0 | 106.8 | L546 | L546-N548 PolarHBondContact O-N 3.42Š| ||
| 549 | I | 33.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 91.1 | 63.4 | 176.5 | -44.6 | 157.5 | 0 | 0 | 0 | 114.2 | ||
| 550 | A | 33.6 | Very low | 33.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -167.3 | 110.6 | 144 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 551 | G | 32.6 | Very low | 33.5 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 137.1 | 17.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | A553 | G551-A553 VanDerWaalsContact C-N 3.29Å; G551-A553 PolarHBondContact O-N 3.5Å; G551-A553 VanDerWaalsContact O-N 3.1Å | ||
| 552 | L | 30.5 | Very low | 33.5 | Very low | 191 Ų | 191 | 135 Ų | 135 | 100% | 1 | 78% | 0.78 | S | S | * | * | trans | -73 | 88.9 | 154.1 | -103.7 | 110.8 | 0 | 0 | 0 | 108 | ||||
| 553 | A | 32.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 167.3 | 124 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G551 | G551-A553 VanDerWaalsContact C-N 3.29Å; G551-A553 PolarHBondContact O-N 3.5Å; G551-A553 VanDerWaalsContact O-N 3.1Å |
| 554 | G | 31.3 | Very low | 33.3 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 114.5 | 34.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | A556 | G554-A556 PolarHBondContact O-N 3.2Å; G554-A556 VanDerWaalsContact O-N 3.07Å | ||
| 555 | N | 32.8 | Very low | 33.2 | Very low | 176 Ų | 176 | 128.1 Ų | 128.1 | 94% | 0.941 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 73.4 | 152.5 | -91.1 | -3.7 | 0 | 0 | 0 | 109.6 | L557 | N555-L557 PolarHBondContact O-N 2.67Š| ||
| 556 | A | 34.2 | Very low | 33.1 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -73.2 | 110.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | G554 R558 | G554-A556 PolarHBondContact O-N 3.2Å; G554-A556 VanDerWaalsContact O-N 3.07Å; A556-R558 PolarHBondContact O-N 2.79Å; A556-R558 VanDerWaalsContact O-N 3.15Å | ||
| 557 | L | 29.3 | Very low | 33 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -26.7 | 112.4 | 157 | -68.9 | 152.1 | 0 | 0 | 0 | 112 | N555 | N555-L557 PolarHBondContact O-N 2.67Š| ||
| 558 | R | 30.1 | Very low | 33 | Very low | 225 Ų | 225 | 131.9 Ų | 131.9 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | trans | -130.3 | 89.8 | 148.6 | -96.1 | -162.4 | 179.3 | -170 | 0.9 | 109.7 | A556 S560 | A556-R558 PolarHBondContact O-N 2.79Å; A556-R558 VanDerWaalsContact O-N 3.15Å; R558-S560 PolarHBondContact O-N 3.23Å | ||
| 559 | L | 29.1 | Very low | 33.1 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -54.2 | 111.4 | 141.6 | -78.8 | 152.3 | 0 | 0 | 0 | 107.6 | ||||
| 560 | S | 32.4 | Very low | 33 | Very low | 76 Ų | 76 | 130 Ų | 130 | 53% | 0.531 | 80% | 0.796 | S | S | . | * | trans | -130.3 | 119.5 | 161.5 | -67.8 | 0 | 0 | 0 | 0 | 107.5 | R558 V562 | R558-S560 PolarHBondContact O-N 3.23Å; S560-V562 PolarHBondContact O-N 3.1Å | ||
| 561 | P | 30.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -76.6 | 120.8 | 167.6 | 31.3 | -26.6 | 0 | 0 | 0 | 107.2 | ||||
| 562 | V | 36.3 | Very low | 33.2 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -102.3 | 96.1 | 167.6 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | S560 | S560-V562 PolarHBondContact O-N 3.1Š| ||
| 563 | T | 30.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -78.5 | 145.7 | 160.9 | 40 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 564 | S | 33.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 104.6 | 151.1 | 152 | -145.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 565 | P | 37.5 | Very low | 33.5 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | cis | -135.3 | 166.7 | -40.5 | 30.2 | -11.6 | 0 | 0 | 0 | 114.8 | ||||
| 566 | Y | 34.7 | Very low | 33.6 | Very low | 213 Ų | 213 | 146.8 Ų | 146.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 40.4 | 122.6 | 147.3 | -78.7 | -104.6 | 0 | 0 | 0 | 119.2 | ||||
| 567 | N | 36 | Very low | 34 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 174.1 | 121.8 | 60.2 | -113.4 | -20.7 | 0 | 0 | 0 | 105 | |||||
| 568 | S | 37.4 | Very low | 34.6 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | 140.9 | 153.5 | 81.5 | -80.8 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 569 | P | 35.6 | Very low | 35.1 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -111.2 | 156.7 | -146.2 | 33.7 | -20.5 | 0 | 0 | 0 | 114.5 | ||||
| 570 | C | 33.2 | Very low | 35.9 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -133.2 | 131.9 | 157.1 | -91.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 571 | P | 31.6 | Very low | 36.1 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -99.9 | 131.4 | -161.1 | 36 | -27.4 | 0 | 0 | 0 | 112 | ||||
| 572 | L | 37.8 | Very low | 37.1 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -132.8 | 90.4 | 162.8 | -80.9 | 171.9 | 0 | 0 | 0 | 111.8 | ||||
| 573 | R | 34.3 | Very low | 37.3 | Very low | 241 Ų | 241 | 147.2 Ų | 147.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | 40 | 96.8 | 140.5 | -126.3 | 176.1 | -170.7 | -157 | 2.5 | 118.2 | S575 | R573-S575 PolarHBondContact O-N 3.07Š| ||
| 574 | R | 31 | Very low | 37.6 | Very low | 213 Ų | 213 | 148.4 Ų | 148.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -57.6 | 117.9 | 157.7 | -156 | 178.1 | -161.1 | 174.4 | 6.1 | 110.3 | ||||
| 575 | S | 35.6 | Very low | 37.9 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -100.1 | 108.9 | 156.3 | -167.3 | 0 | 0 | 0 | 0 | 108 | R573 | R573-S575 PolarHBondContact O-N 3.07Š| ||
| 576 | R | 35.5 | Very low | 37.9 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | trans | -76.8 | 129.2 | 165.8 | -83.4 | 177.1 | 167.4 | 175 | -4.6 | 107.6 | ||||
| 577 | S | 42 | Very low | 38.1 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -133.4 | 137.3 | 148.7 | 56 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 578 | P | 42.4 | Very low | 38.2 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | trans | -81.5 | 150.4 | -164.3 | 33.7 | -34.1 | 0 | 0 | 0 | 112.7 | ||||
| 579 | I | 39.7 | Very low | 38.3 | Very low | 143 Ų | 143 | 153.9 Ų | 153.9 | 73% | 0.733 | 83% | 0.832 | S | S | * | * | trans | -58.4 | 150.1 | 163 | -62.4 | 161 | 0 | 0 | 0 | 109.4 | ||||
| 580 | P | 47 | Very low | 38.4 | Very low | 113 Ų | 113 | 156.3 Ų | 156.3 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | -121 | 114.8 | 135.2 | 22.4 | -6.8 | 0 | 0 | 0 | 110.1 | ||||
| 581 | S | 36 | Very low | 38.9 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | trans | -66.6 | 123.7 | 160.3 | -50.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 582 | I | 51.5 | Low | 39.5 | Very low | 143 Ų | 143 | 161.6 Ų | 161.6 | 73% | 0.733 | 84% | 0.837 | S | S | * | * | trans | -131.6 | 110.4 | 160.2 | -64.8 | 179.1 | 0 | 0 | 0 | 105.3 | ||||
| 583 | L | 40.7 | Very low | 39.6 | Very low | 245 Ų | 245 | 160.3 Ų | 160.3 | 100% | 1.283 | 83% | 0.83 | S | S | * | * | trans | 51.3 | 0 | 161.1 | -76.6 | 153.3 | 0 | 0 | 0 | 118.8 |
Retrieved 583 of 583 residues in 453.3 ms
(Link to these results)