| 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 | 41.6 | Very low | 76.6 | Confident | 218 Ų | 218 | 62 Ų | 62 | 100% | 1.074 | 32% | 0.324 | S | S | * | . | 0 | -24.9 | 0 | -73.5 | -170.3 | -179.3 | 0 | 0 | 112 | |||||
| 2 | S | 53.5 | Low | 77.5 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -29.6 | 179.8 | -37 | 0 | 0 | 0 | 0 | 115 | Q4 L5 C6 | S2-Q4 VanDerWaalsContact C-N 3.25Å; S2-Q4 PolarHBondContact O-N 3.15Å; S2-L5 PolarHBondContact O-N 3.43Å; S2-L5 VanDerWaalsContact O-N 3.1Å; S2-C6 PolarHBondContact O-N 3.31Å; S2-C6 PolarHBondContact O-SG 3.38Å |
| 3 | D | 64.8 | Low | 78.3 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 66% | 0.663 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.8 | -30.4 | -176.9 | -70.9 | 4.3 | 0 | 0 | 0 | 114.2 | L5 C6 K7 | D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 3.2Å; D3-C6 PolarHBondContact O-N 3.33Å; D3-K7 VanDerWaalsContact O-CB 3.31Å; D3-K7 WeakPolarHBondContact O-CB 2.88Å; D3-K7 PolarHBondContact O-N 2.91Å |
| 4 | Q | 71.2 | Confident | 78.8 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.3 | -27.1 | 179.7 | -72.2 | -178.9 | -10.9 | 0 | 0 | 112.6 | S2 A83 V156 | S2-Q4 VanDerWaalsContact C-N 3.25Å; S2-Q4 PolarHBondContact O-N 3.15Å; Q4-A83 VanDerWaalsContact NE2-CB 3.26Å; Q4-V156 HydrophobicContact CB-CG1 4.04Å |
| 5 | L | 76.1 | Confident | 79.2 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -78 | -29.9 | 175.6 | -67.5 | 168.2 | 0 | 0 | 0 | 111.7 | S2 D3 P57 R80 V156 | S2-L5 PolarHBondContact O-N 3.43Å; S2-L5 VanDerWaalsContact O-N 3.1Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 3.2Å; L5-P57 HydrophobicContact CB-CB 4.12Å; L5-R80 PolarHBondContact O-NH1 3.35Å; L5-V156 HydrophobicContact CD2-CB 3.77Å; L5-V156 HydrophobicContact CD2-CG1 3.72Å; L5-V156 HydrophobicContact CD2-CG2 3.82Å; L5-V156 HydrophobicContact CG-CG1 3.99Å |
| 6 | C | 85.3 | Confident | 79.4 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -84.2 | -16.9 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 112.6 | S2 D3 T53 Y54 P57 | S2-C6 PolarHBondContact O-N 3.31Å; S2-C6 PolarHBondContact O-SG 3.38Å; D3-C6 PolarHBondContact O-N 3.33Å; C6-T53 HydrophobicContact CB-CG2 4.4Å; C6-T53 WeakPolarHBondContact O-CA 3.17Å; C6-Y54 WeakPolarHBondContact CB-O 3.37Å; C6-Y54 PolarHBondContact O-N 3.46Å; C6-P57 VanDerWaalsContact SG-N 3.42Å |
| 7 | K | 89.3 | Confident | 79.7 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 27% | 0.27 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.4 | -179.3 | -162.9 | 177.1 | -155.7 | 89.5 | 0 | 111 | D3 D34 F51 V52 T53 A81 | D3-K7 VanDerWaalsContact O-CB 3.31Å; D3-K7 WeakPolarHBondContact O-CB 2.88Å; D3-K7 PolarHBondContact O-N 2.91Å; K7-D34 IonicContact NZ-OD2 2.99Å; K7-D34 PolarHBondContact NZ-OD2 3.07Å; K7-F51 HydrophobicContact CD-CD1 4.47Å; K7-V52 CarbonylContact C-O 3.58Å; K7-V52 WeakPolarHBondContact CA-O 3.37Å; K7-T53 HydrophobicContact CB-CG2 4.2Å; K7-T53 PolarHBondContact NZ-OG1 2.85Å; K7-A81 HydrophobicContact CB-CB 3.74Å; K7-A81 HydrophobicContact CD-CB 4Å; K7-A81 HydrophobicContact CG-CB 3.64Å; K7-A81 WeakPolarHBondContact O-CB 3.43Å; K7-A81 PolarHBondContact O-N 3.07Å |
| 8 | L | 90.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.3 | 173.7 | -53 | 180 | 0 | 0 | 0 | 110.2 | F51 V52 Y54 A60 A63 M64 V78 K79 | L8-F51 CarbonylContact O-C 3.4Å; L8-F51 VanDerWaalsContact O-CA 3.26Å; L8-F51 WeakPolarHBondContact O-CA 3.46Å; L8-V52 HydrophobicContact CB-CG2 3.7Å; L8-V52 HydrophobicContact CD1-CG2 4.33Å; L8-V52 HydrophobicContact CG-CG2 4.34Å; L8-V52 PolarHBondContact N-O 3.28Å; L8-V52 PolarHBondContact O-N 2.76Å; L8-Y54 HydrophobicContact CD1-CD2 4.3Å; L8-Y54 HydrophobicContact CD1-CE2 3.84Å; L8-A60 HydrophobicContact CD1-CB 4.28Å; L8-A60 HydrophobicContact CD2-CB 4.17Å; L8-A60 HydrophobicContact CG-CB 4.2Å; L8-A63 HydrophobicContact CD1-CB 3.98Å; L8-M64 HydrophobicContact CD1-CG 4.04Å; L8-M64 HydrophobicContact CD1-SD 4.29Å; L8-M64 HydrophobicContact CD2-CG 3.9Å; L8-M64 HydrophobicContact CD2-SD 4.18Å; L8-V78 HydrophobicContact CB-CG1 3.97Å; L8-V78 HydrophobicContact CD1-CG1 3.78Å; L8-V78 HydrophobicContact CG-CG1 4.41Å; L8-K79 CarbonylContact C-O 3.6Å; L8-K79 VanDerWaalsContact CA-O 3.31Å; L8-K79 WeakPolarHBondContact CA-O 3.45Å |
| 9 | F | 90.3 | Very high | 80.6 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.9 | 166.6 | 171.2 | -92.3 | 0 | 0 | 0 | 108.7 | F49 F51 V78 K79 | F9-F49 HydrophobicContact CD2-CD2 4.37Å; F9-F49 HydrophobicContact CE2-CB 3.78Å; F9-F49 AromaticContact CE2-CD2 3.56Å; F9-F49 HydrophobicContact CE2-CD2 3.56Å; F9-F49 HydrophobicContact CE2-CE2 4.33Å; F9-F49 AromaticContact CE2-CG 3.83Å; F9-F49 HydrophobicContact CE2-CG 3.83Å; F9-F49 HydrophobicContact CZ-CB 3.73Å; F9-F49 HydrophobicContact CZ-CD2 4.32Å; F9-F49 HydrophobicContact CZ-CG 4.13Å; F9-F51 HydrophobicContact CB-CD1 4.25Å; F9-F51 HydrophobicContact CB-CE1 4.09Å; F9-F51 HydrophobicContact CD2-CD1 4.3Å; F9-F51 AromaticContact CD2-CE1 3.69Å; F9-F51 HydrophobicContact CD2-CE1 3.69Å; F9-F51 AromaticContact CD2-CZ 3.84Å; F9-F51 HydrophobicContact CD2-CZ 3.84Å; F9-F51 HydrophobicContact CE2-CZ 4.46Å; F9-F51 HydrophobicContact CG-CE1 4.39Å; F9-V78 WeakPolarHBondContact O-CA 3.38Å; F9-K79 HydrophobicContact CB-CB 4.5Å; F9-K79 HydrophobicContact CD1-CB 4.36Å; F9-K79 PolarHBondContact N-O 3.19Å; F9-K79 PolarHBondContact O-N 3.19Å |
| 10 | V | 90.7 | Very high | 81 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 109.6 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | L13 L22 F26 F49 G50 V52 V76 E77 V78 | V10-L13 HydrophobicContact CG1-CD1 4.46Å; V10-L13 HydrophobicContact CG1-CD2 3.81Å; V10-L13 HydrophobicContact CG1-CG 4.12Å; V10-L22 HydrophobicContact CB-CD1 4.32Å; V10-L22 HydrophobicContact CG1-CD1 4.02Å; V10-L22 HydrophobicContact CG2-CD1 4.36Å; V10-F26 HydrophobicContact CG1-CE2 3.96Å; V10-F26 HydrophobicContact CG1-CZ 4.01Å; V10-F26 HydrophobicContact CG2-CE1 4.32Å; V10-F26 HydrophobicContact CG2-CE2 3.85Å; V10-F26 HydrophobicContact CG2-CZ 3.7Å; V10-F49 CarbonylContact O-C 3.52Å; V10-F49 WeakPolarHBondContact O-CA 3.5Å; V10-F49 WeakPolarHBondContact O-CB 3.31Å; V10-G50 PolarHBondContact N-O 3.48Å; V10-G50 PolarHBondContact O-N 3.02Å; V10-V52 HydrophobicContact CG2-CG1 4.19Å; V10-V52 HydrophobicContact CG2-CG2 4Å; V10-V76 HydrophobicContact CG1-CB 3.82Å; V10-V76 HydrophobicContact CG1-CG1 4.31Å; V10-V76 HydrophobicContact CG1-CG2 3.89Å; V10-E77 CarbonylContact C-O 3.44Å; V10-E77 WeakPolarHBondContact CA-O 3.23Å; V10-V78 HydrophobicContact CG1-CG2 4.38Å; V10-V78 HydrophobicContact CG2-CG1 4.39Å; V10-V78 HydrophobicContact CG2-CG2 4.42Å |
| 11 | G | 89.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 161.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C48 V76 E77 | G11-C48 CarbonylContact C-O 3.51Å; G11-V76 CarbonylContact O-C 3.6Å; G11-V76 VanDerWaalsContact O-CA 3.31Å; G11-V76 WeakPolarHBondContact O-CA 3.42Å; G11-V76 WeakPolarHBondContact O-CB 3.14Å; G11-E77 PolarHBondContact N-O 3.31Å; G11-E77 PolarHBondContact O-N 3.43Å |
| 12 | G | 87.1 | Confident | 83.6 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 75.6 | 25.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C48 N74 | G12-C48 PolarHBondContact N-O 2.8Å; G12-N74 PolarHBondContact O-ND2 3.36Å |
| 13 | L | 88.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | trans | -66.9 | 151.9 | 172.2 | -65.5 | 171.1 | 0 | 0 | 0 | 110.9 | V10 T17 L22 V37 C48 V71 V76 | V10-L13 HydrophobicContact CG1-CD1 4.46Å; V10-L13 HydrophobicContact CG1-CD2 3.81Å; V10-L13 HydrophobicContact CG1-CG 4.12Å; L13-T17 HydrophobicContact CD2-CG2 4.1Å; L13-L22 HydrophobicContact CD1-CD1 4.14Å; L13-L22 HydrophobicContact CD1-CD2 4.07Å; L13-L22 HydrophobicContact CD2-CD1 3.63Å; L13-V37 HydrophobicContact CD1-CG1 4.38Å; L13-V37 HydrophobicContact CD1-CG2 4.13Å; L13-C48 PolarHBondContact N-O 2.83Å; L13-C48 WeakPolarHBondContact O-CA 3.23Å; L13-C48 WeakPolarHBondContact O-CB 3.33Å; L13-C48 PolarHBondContact O-SG 2.95Å; L13-C48 VanDerWaalsContact O-SG 3.42Å; L13-V71 HydrophobicContact CD2-CB 4.19Å; L13-V71 HydrophobicContact CD2-CG1 4.21Å; L13-V71 HydrophobicContact CD2-CG2 4.36Å; L13-V76 HydrophobicContact CD2-CG1 3.65Å; L13-V76 HydrophobicContact CG-CG1 4.46Å | ||
| 14 | N | 85.8 | Confident | 86.6 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | trans | -64.1 | 153.7 | 172 | -164.9 | -4.4 | 0 | 0 | 0 | 109.5 | D16 T17 N74 | N14-D16 PolarHBondContact O-N 3.16Å; N14-T17 VanDerWaalsContact CB-OG1 3.29Å; N14-T17 WeakPolarHBondContact CB-OG1 3.33Å; N14-T17 PolarHBondContact N-OG1 2.82Å; N14-T17 PolarHBondContact O-N 2.94Å; N14-N74 HydrophobicContact CB-CB 4.49Å | ||
| 15 | V | 83.9 | Confident | 87.5 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30 | 177.1 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | R45 S46 | V15-R45 HydrophobicContact CG2-CG 3.56Å; V15-S46 VanDerWaalsContact O-CB 3.25Å; V15-S46 WeakPolarHBondContact O-CB 3.18Å |
| 16 | D | 83.4 | Confident | 88.2 | Confident | 122 Ų | 122 | 48.8 Ų | 48.8 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.1 | -179.9 | -52.3 | -47.2 | 0 | 0 | 0 | 112.9 | N14 D18 | N14-D16 PolarHBondContact O-N 3.16Å; D16-D18 PolarHBondContact O-N 3.38Å |
| 17 | T | 84.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | trans | -75.9 | 117.8 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | L13 N14 L22 V71 D72 | L13-T17 HydrophobicContact CD2-CG2 4.1Å; N14-T17 VanDerWaalsContact CB-OG1 3.29Å; N14-T17 WeakPolarHBondContact CB-OG1 3.33Å; N14-T17 PolarHBondContact N-OG1 2.82Å; N14-T17 PolarHBondContact O-N 2.94Å; T17-L22 HydrophobicContact CG2-CB 4.4Å; T17-V71 HydrophobicContact CG2-CG1 3.95Å; T17-D72 WeakPolarHBondContact CB-OD2 3.38Å; T17-D72 VanDerWaalsContact CG2-OD2 3.3Å; T17-D72 WeakPolarHBondContact CG2-OD2 3.3Å; T17-D72 PolarHBondContact OG1-OD2 2.89Å | ||
| 18 | D | 87.7 | Confident | 88.5 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | trans | -95.3 | 172.1 | 174.9 | -65.6 | -39.2 | 0 | 0 | 0 | 112.6 | D16 D20 G21 L22 | D16-D18 PolarHBondContact O-N 3.38Å; D18-D20 PolarHBondContact O-N 3.03Å; D18-G21 PolarHBondContact O-N 2.84Å; D18-G21 VanDerWaalsContact O-N 3.12Å; D18-L22 PolarHBondContact O-N 2.92Å | ||
| 19 | D | 88.4 | Confident | 88.4 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -52.6 | -39.8 | 178.8 | -62.7 | -23 | 0 | 0 | 0 | 112.7 | R23 C35 V37 | D19-R23 VanDerWaalsContact O-CB 3.22Å; D19-R23 WeakPolarHBondContact O-CB 3.25Å; D19-R23 PolarHBondContact O-N 2.92Å; D19-C35 PolarHBondContact O-SG 2.89Å; D19-C35 VanDerWaalsContact O-SG 3.39Å; D19-V37 WeakPolarHBondContact OD1-CA 3.41Å; D19-V37 WeakPolarHBondContact OD1-CB 3.39Å; D19-V37 WeakPolarHBondContact OD1-CG2 2.97Å; D19-V37 PolarHBondContact OD1-N 3.23Å |
| 20 | D | 88.7 | Confident | 88.4 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 68% | 0.679 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.9 | -40 | 179.7 | -72.6 | -47.7 | 0 | 0 | 0 | 112.4 | D18 R23 K24 | D18-D20 PolarHBondContact O-N 3.03Å; D20-R23 PolarHBondContact O-N 2.79Å; D20-K24 VanDerWaalsContact O-CB 3.28Å; D20-K24 WeakPolarHBondContact O-CB 2.98Å; D20-K24 PolarHBondContact O-N 2.71Å |
| 21 | G | 87.3 | Confident | 88.4 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D18 H25 | D18-G21 PolarHBondContact O-N 2.84Å; D18-G21 VanDerWaalsContact O-N 3.12Å; G21-H25 PolarHBondContact O-N 2.99Å |
| 22 | L | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 174.7 | -174.9 | 65.8 | 0 | 0 | 0 | 111.4 | V10 L13 T17 D18 K24 H25 F26 V37 V52 | V10-L22 HydrophobicContact CB-CD1 4.32Å; V10-L22 HydrophobicContact CG1-CD1 4.02Å; V10-L22 HydrophobicContact CG2-CD1 4.36Å; L13-L22 HydrophobicContact CD1-CD1 4.14Å; L13-L22 HydrophobicContact CD1-CD2 4.07Å; L13-L22 HydrophobicContact CD2-CD1 3.63Å; T17-L22 HydrophobicContact CG2-CB 4.4Å; D18-L22 PolarHBondContact O-N 2.92Å; L22-K24 PolarHBondContact O-N 2.85Å; L22-H25 PolarHBondContact O-N 3.37Å; L22-F26 HydrophobicContact CD1-CD2 3.5Å; L22-F26 VanDerWaalsContact CD1-CD2 3.5Å; L22-F26 HydrophobicContact CD1-CE2 3.4Å; L22-F26 VanDerWaalsContact CD1-CE2 3.4Å; L22-F26 HydrophobicContact CG-CD2 4.1Å; L22-F26 HydrophobicContact CG-CE2 4.44Å; L22-F26 WeakPolarHBondContact O-CD2 3.07Å; L22-F26 PolarHBondContact O-N 3.24Å; L22-V37 HydrophobicContact CB-CG2 4.15Å; L22-V37 HydrophobicContact CD2-CG2 3.84Å; L22-V52 HydrophobicContact CD1-CG1 4.36Å; L22-V52 HydrophobicContact CD2-CG1 3.76Å; L22-V52 HydrophobicContact CG-CG1 3.82Å |
| 23 | R | 90.8 | Very high | 88.6 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 179.1 | 176.7 | -178.7 | -83.6 | -118.4 | -2.8 | 110.8 | D19 D20 H25 F26 E27 L32 C35 | D19-R23 VanDerWaalsContact O-CB 3.22Å; D19-R23 WeakPolarHBondContact O-CB 3.25Å; D19-R23 PolarHBondContact O-N 2.92Å; D20-R23 PolarHBondContact O-N 2.79Å; R23-H25 PolarHBondContact O-N 2.71Å; R23-F26 PolarHBondContact O-N 2.85Å; R23-F26 VanDerWaalsContact O-N 3.11Å; R23-E27 WeakPolarHBondContact O-CB 3.35Å; R23-E27 PolarHBondContact O-N 2.91Å; R23-L32 HydrophobicContact CB-CD1 4.28Å; R23-L32 HydrophobicContact CG-CD1 3.9Å; R23-C35 HydrophobicContact CB-CB 4.18Å |
| 24 | K | 90.9 | Very high | 88.7 | Confident | 171 Ų | 171 | 65.5 Ų | 65.5 | 74% | 0.743 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58 | -35.5 | -177.8 | -172.6 | 176.7 | -178.6 | 179.9 | 0 | 112.7 | D20 L22 | D20-K24 VanDerWaalsContact O-CB 3.28Å; D20-K24 WeakPolarHBondContact O-CB 2.98Å; D20-K24 PolarHBondContact O-N 2.71Å; L22-K24 PolarHBondContact O-N 2.85Å |
| 25 | H | 90.3 | Very high | 88.8 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.6 | -42.5 | 176.2 | -170.6 | 83.9 | 0 | 0 | 0 | 112.6 | G21 L22 R23 Q28 H69 T70 V71 | G21-H25 PolarHBondContact O-N 2.99Å; L22-H25 PolarHBondContact O-N 3.37Å; R23-H25 PolarHBondContact O-N 2.71Å; H25-Q28 VanDerWaalsContact O-CD 3.26Å; H25-Q28 WeakPolarHBondContact O-CG 3.28Å; H25-Q28 PolarHBondContact O-NE2 2.61Å; H25-H69 AromaticContact NE2-ND1 3.66Å; H25-T70 PolarHBondContact CE1-O 2.77Å; H25-T70 PolarHBondContact ND1-O 2.96Å; H25-V71 HydrophobicContact CB-CG1 4.49Å; H25-V71 HydrophobicContact CB-CG2 4.2Å |
| 26 | F | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -83.5 | -20.4 | -175.6 | -81.8 | -82.7 | 0 | 0 | 0 | 113.9 | V10 L22 R23 Q28 Y29 L32 V52 Y54 A63 V71 V76 V78 | V10-F26 HydrophobicContact CG1-CE2 3.96Å; V10-F26 HydrophobicContact CG1-CZ 4.01Å; V10-F26 HydrophobicContact CG2-CE1 4.32Å; V10-F26 HydrophobicContact CG2-CE2 3.85Å; V10-F26 HydrophobicContact CG2-CZ 3.7Å; L22-F26 HydrophobicContact CD1-CD2 3.5Å; L22-F26 VanDerWaalsContact CD1-CD2 3.5Å; L22-F26 HydrophobicContact CD1-CE2 3.4Å; L22-F26 VanDerWaalsContact CD1-CE2 3.4Å; L22-F26 HydrophobicContact CG-CD2 4.1Å; L22-F26 HydrophobicContact CG-CE2 4.44Å; L22-F26 WeakPolarHBondContact O-CD2 3.07Å; L22-F26 PolarHBondContact O-N 3.24Å; R23-F26 PolarHBondContact O-N 2.85Å; R23-F26 VanDerWaalsContact O-N 3.11Å; F26-Q28 PolarHBondContact O-N 3.11Å; F26-Y29 HydrophobicContact CD1-CD2 4.45Å; F26-Y29 PolarHBondContact O-N 2.98Å; F26-L32 HydrophobicContact CB-CD1 3.88Å; F26-L32 HydrophobicContact CB-CD2 4.36Å; F26-V52 HydrophobicContact CB-CG1 4.26Å; F26-V52 HydrophobicContact CD1-CG2 4.21Å; F26-V52 HydrophobicContact CD2-CG1 4.09Å; F26-V52 HydrophobicContact CG-CG1 4.11Å; F26-V52 HydrophobicContact CG-CG2 4.33Å; F26-Y54 WeakPolarHBondContact CB-OH 3.4Å; F26-Y54 WeakPolarHBondContact CD1-OH 3.28Å; F26-Y54 PolarHBondContact O-OH 3.42Å; F26-A63 HydrophobicContact CD1-CB 4.47Å; F26-V71 HydrophobicContact CE2-CG2 4.03Å; F26-V76 HydrophobicContact CZ-CG2 4.41Å; F26-V78 HydrophobicContact CE1-CG1 4.26Å; F26-V78 HydrophobicContact CE1-CG2 3.85Å; F26-V78 HydrophobicContact CZ-CG2 3.56Å |
| 27 | E | 91.2 | Very high | 89.4 | Confident | 105 Ų | 105 | 58.7 Ų | 58.7 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -65.7 | -22.2 | 176.5 | -171 | 168.3 | -158 | 0 | 0 | 112.6 | R23 Y29 G30 L32 | R23-E27 WeakPolarHBondContact O-CB 3.35Å; R23-E27 PolarHBondContact O-N 2.91Å; E27-Y29 PolarHBondContact O-N 2.63Å; E27-G30 WeakPolarHBondContact CA-O 3.36Å; E27-G30 PolarHBondContact O-N 3.27Å; E27-L32 HydrophobicContact CB-CD1 4.21Å |
| 28 | Q | 90.1 | Very high | 89.4 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -65.3 | -20 | 174.8 | 80.3 | -168.5 | -39.4 | 0 | 0 | 113.5 | H25 F26 | H25-Q28 VanDerWaalsContact O-CD 3.26Å; H25-Q28 WeakPolarHBondContact O-CG 3.28Å; H25-Q28 PolarHBondContact O-NE2 2.61Å; F26-Q28 PolarHBondContact O-N 3.11Å |
| 29 | Y | 88.7 | Confident | 89.2 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -99.4 | -10 | -179.7 | -56.1 | -68.9 | 0 | 0 | 0 | 113.1 | F26 E27 A63 A66 H69 | F26-Y29 HydrophobicContact CD1-CD2 4.45Å; F26-Y29 PolarHBondContact O-N 2.98Å; E27-Y29 PolarHBondContact O-N 2.63Å; Y29-A63 HydrophobicContact CD2-CB 4.32Å; Y29-A63 HydrophobicContact CG-CB 4.23Å; Y29-A66 HydrophobicContact CD1-CB 3.87Å; Y29-A66 HydrophobicContact CE1-CB 3.3Å; Y29-H69 AromaticContact CE2-CE1 3.3Å; Y29-H69 WeakPolarHBondContact CE2-CE1 3.44Å; Y29-H69 AromaticContact CE2-ND1 3.57Å; Y29-H69 AromaticContact CZ-CE1 3.41Å; Y29-H69 VanDerWaalsContact CZ-CE1 3.41Å; Y29-H69 AromaticContact CZ-ND1 3.74Å; Y29-H69 PolarHBondContact OH-CE1 2.89Å; Y29-H69 PolarHBondContact OH-ND1 3.08Å |
| 30 | G | 89.1 | Confident | 88.7 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 161.8 | 172 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | E27 L32 | E27-G30 WeakPolarHBondContact CA-O 3.36Å; E27-G30 PolarHBondContact O-N 3.27Å; G30-L32 PolarHBondContact O-N 2.87Å |
| 31 | A | 91.3 | Very high | 87.9 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 41% | 0.405 | 31% | 0.31 | S | S | . | . | trans | -75.7 | 115.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y54 S55 E59 | A31-Y54 CarbonylContact O-C 3.54Å; A31-S55 PolarHBondContact O-N 2.81Å; A31-S55 PolarHBondContact O-OG 3.06Å; A31-E59 PolarHBondContact N-OE1 3.05Å | ||
| 32 | L | 90.6 | Very high | 87.3 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.4 | 178.2 | -66.3 | 172.8 | 0 | 0 | 0 | 111.4 | R23 F26 E27 G30 V52 T53 Y54 | R23-L32 HydrophobicContact CB-CD1 4.28Å; R23-L32 HydrophobicContact CG-CD1 3.9Å; F26-L32 HydrophobicContact CB-CD1 3.88Å; F26-L32 HydrophobicContact CB-CD2 4.36Å; E27-L32 HydrophobicContact CB-CD1 4.21Å; G30-L32 PolarHBondContact O-N 2.87Å; L32-V52 HydrophobicContact CD2-CB 3.98Å; L32-T53 CarbonylContact C-O 3.6Å; L32-T53 WeakPolarHBondContact CA-O 3.27Å; L32-Y54 HydrophobicContact CD2-CD1 3.67Å; L32-Y54 HydrophobicContact CD2-CD2 4.17Å; L32-Y54 HydrophobicContact CD2-CE1 3.46Å; L32-Y54 VanDerWaalsContact CD2-CE1 3.46Å; L32-Y54 HydrophobicContact CD2-CE2 3.99Å; L32-Y54 HydrophobicContact CD2-CG 4.03Å; L32-Y54 HydrophobicContact CG-CD1 4.41Å; L32-Y54 HydrophobicContact CG-CE1 4.12Å |
| 33 | T | 91 | Very high | 86.5 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -38.6 | 171 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | T53 Y54 S55 | T33-T53 PolarHBondContact N-O 3.13Å; T33-T53 WeakPolarHBondContact OG1-CG2 3.2Å; T33-T53 PolarHBondContact OG1-O 2.78Å; T33-Y54 PolarHBondContact OG1-O 3.43Å; T33-S55 WeakPolarHBondContact CG2-OG 3.42Å |
| 34 | D | 88.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.1 | -175.9 | -177.5 | 35.9 | 0 | 0 | 0 | 110.4 | K7 V52 T53 | K7-D34 IonicContact NZ-OD2 2.99Å; K7-D34 PolarHBondContact NZ-OD2 3.07Å; D34-V52 CarbonylContact O-C 3.6Å; D34-T53 PolarHBondContact N-O 2.67Å; D34-T53 PolarHBondContact O-N 3.18Å |
| 35 | C | 89.3 | Confident | 84.4 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 120.4 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 108 | D19 R23 F51 | D19-C35 PolarHBondContact O-SG 2.89Å; D19-C35 VanDerWaalsContact O-SG 3.39Å; R23-C35 HydrophobicContact CB-CB 4.18Å; C35-F51 WeakPolarHBondContact CA-O 3.28Å |
| 36 | V | 89.4 | Confident | 83.6 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 122.2 | -175.4 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | G50 F51 | V36-G50 CarbonylContact O-C 3.51Å; V36-G50 WeakPolarHBondContact O-CA 3.42Å; V36-F51 PolarHBondContact N-O 2.92Å; V36-F51 PolarHBondContact O-N 3.39Å |
| 37 | V | 89.4 | Confident | 83 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.055 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.4 | 167.8 | -180 | 0 | 0 | 0 | 0 | 108.2 | L13 D19 L22 V39 | L13-V37 HydrophobicContact CD1-CG1 4.38Å; L13-V37 HydrophobicContact CD1-CG2 4.13Å; D19-V37 WeakPolarHBondContact OD1-CA 3.41Å; D19-V37 WeakPolarHBondContact OD1-CB 3.39Å; D19-V37 WeakPolarHBondContact OD1-CG2 2.97Å; D19-V37 PolarHBondContact OD1-N 3.23Å; L22-V37 HydrophobicContact CB-CG2 4.15Å; L22-V37 HydrophobicContact CD2-CG2 3.84Å; V37-V39 PolarHBondContact O-N 3.09Å |
| 38 | V | 85.3 | Confident | 82.6 | Confident | 37 Ų | 37 | 79 Ų | 79 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 107.3 | -176.4 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | R47 F49 F51 | V38-R47 VanDerWaalsContact O-CB 3.27Å; V38-R47 WeakPolarHBondContact O-CB 3.34Å; V38-R47 WeakPolarHBondContact O-CG 3.38Å; V38-R47 PolarHBondContact O-N 2.69Å; V38-F49 HydrophobicContact CB-CD2 3.94Å; V38-F49 HydrophobicContact CB-CE2 3.47Å; V38-F49 VanDerWaalsContact CB-CE2 3.47Å; V38-F49 HydrophobicContact CB-CZ 3.82Å; V38-F49 HydrophobicContact CG1-CE2 3.85Å; V38-F49 HydrophobicContact CG1-CZ 3.77Å; V38-F49 HydrophobicContact CG2-CD2 3.94Å; V38-F49 HydrophobicContact CG2-CE2 3.51Å; V38-F49 HydrophobicContact CG2-CZ 4.3Å; V38-F49 PolarHBondContact N-O 3.46Å; V38-F51 HydrophobicContact CG2-CD2 3.98Å; V38-F51 HydrophobicContact CG2-CE2 3.94Å |
| 39 | V | 83.2 | Confident | 82.5 | Confident | 64 Ų | 64 | 75 Ų | 75 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 147.5 | 174.7 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | V37 K41 | V37-V39 PolarHBondContact O-N 3.09Å; V39-K41 PolarHBondContact O-N 3.36Å |
| 40 | N | 76.9 | Confident | 82.6 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 110.8 | 170.5 | -176.6 | -14 | 0 | 0 | 0 | 109.3 | Q42 L43 Q44 R45 R47 | N40-Q42 PolarHBondContact O-N 3.33Å; N40-Q42 VanDerWaalsContact O-N 3.12Å; N40-Q42 PolarHBondContact OD1-N 3.24Å; N40-L43 PolarHBondContact O-N 3.19Å; N40-Q44 WeakPolarHBondContact O-CA 3.15Å; N40-Q44 PolarHBondContact O-N 3.24Å; N40-R45 WeakPolarHBondContact CB-O 3.4Å; N40-R45 PolarHBondContact N-O 3.48Å; N40-R47 HydrophobicContact CB-CG 4.17Å |
| 41 | K | 73.6 | Confident | 82.7 | Confident | 183 Ų | 183 | 73.9 Ų | 73.9 | 80% | 0.796 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28 | -177.6 | -65.2 | -172.5 | 177.8 | -172.8 | 0 | 114.5 | V39 Q44 | V39-K41 PolarHBondContact O-N 3.36Å; K41-Q44 PolarHBondContact O-NE2 3.5Å; K41-Q44 VanDerWaalsContact O-NE2 3.17Å |
| 42 | Q | 73.3 | Confident | 82.8 | Confident | 179 Ų | 179 | 71.5 Ų | 71.5 | 84% | 0.836 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -33.1 | -178.2 | -67.6 | -174.9 | -25.2 | 0 | 0 | 113.2 | N40 | N40-Q42 PolarHBondContact O-N 3.33Å; N40-Q42 VanDerWaalsContact O-N 3.12Å; N40-Q42 PolarHBondContact OD1-N 3.24Å |
| 43 | L | 74 | Confident | 82.8 | Confident | 128 Ų | 128 | 71.2 Ų | 71.2 | 67% | 0.67 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -2 | -175.4 | -63.7 | 175.5 | 0 | 0 | 0 | 112.9 | N40 R45 | N40-L43 PolarHBondContact O-N 3.19Å; L43-R45 HydrophobicContact CB-CB 4.22Å; L43-R45 PolarHBondContact O-N 3.33Å |
| 44 | Q | 67.5 | Low | 82.8 | Confident | 147 Ų | 147 | 67.4 Ų | 67.4 | 69% | 0.687 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 29.9 | -171.8 | -66 | -65.4 | -49.8 | 0 | 0 | 113 | N40 K41 | N40-Q44 WeakPolarHBondContact O-CA 3.15Å; N40-Q44 PolarHBondContact O-N 3.24Å; K41-Q44 PolarHBondContact O-NE2 3.5Å; K41-Q44 VanDerWaalsContact O-NE2 3.17Å |
| 45 | R | 68.8 | Low | 82.9 | Confident | 160 Ų | 160 | 67.3 Ų | 67.3 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132 | -176.9 | -168.9 | 176.1 | -178.6 | -179.1 | 2.3 | 109.1 | V15 N40 L43 R47 | V15-R45 HydrophobicContact CG2-CG 3.56Å; N40-R45 WeakPolarHBondContact CB-O 3.4Å; N40-R45 PolarHBondContact N-O 3.48Å; L43-R45 HydrophobicContact CB-CB 4.22Å; L43-R45 PolarHBondContact O-N 3.33Å; R45-R47 PolarHBondContact O-N 3.42Å |
| 46 | S | 75.1 | Confident | 82.9 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 136.9 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | V15 C48 | V15-S46 VanDerWaalsContact O-CB 3.25Å; V15-S46 WeakPolarHBondContact O-CB 3.18Å; S46-C48 PolarHBondContact O-N 3.13Å; S46-C48 PolarHBondContact OG-N 2.99Å; S46-C48 VanDerWaalsContact OG-N 3.09Å |
| 47 | R | 76 | Confident | 82.7 | Confident | 152 Ų | 152 | 69 Ų | 69 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 8.9 | 171.1 | -60.1 | -178.6 | 66.7 | -171.1 | -6.3 | 111.5 | V38 N40 R45 F49 | V38-R47 VanDerWaalsContact O-CB 3.27Å; V38-R47 WeakPolarHBondContact O-CB 3.34Å; V38-R47 WeakPolarHBondContact O-CG 3.38Å; V38-R47 PolarHBondContact O-N 2.69Å; N40-R47 HydrophobicContact CB-CG 4.17Å; R45-R47 PolarHBondContact O-N 3.42Å; R47-F49 HydrophobicContact CB-CD1 3.55Å; R47-F49 HydrophobicContact CB-CE1 3.29Å; R47-F49 HydrophobicContact CB-CZ 4.16Å; R47-F49 HydrophobicContact CG-CE1 4.14Å; R47-F49 VanDerWaalsContact O-CD1 3.3Å; R47-F49 WeakPolarHBondContact O-CD1 3.48Å; R47-F49 PolarHBondContact O-N 2.87Å |
| 48 | C | 83.4 | Confident | 82.7 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 32% | 0.324 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.2 | 28.5 | -178.1 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | G11 G12 L13 S46 | G11-C48 CarbonylContact C-O 3.51Å; G12-C48 PolarHBondContact N-O 2.8Å; L13-C48 PolarHBondContact N-O 2.83Å; L13-C48 WeakPolarHBondContact O-CA 3.23Å; L13-C48 WeakPolarHBondContact O-CB 3.33Å; L13-C48 PolarHBondContact O-SG 2.95Å; L13-C48 VanDerWaalsContact O-SG 3.42Å; S46-C48 PolarHBondContact O-N 3.13Å; S46-C48 PolarHBondContact OG-N 2.99Å; S46-C48 VanDerWaalsContact OG-N 3.09Å |
| 49 | F | 88.4 | Confident | 82.9 | Confident | 36 Ų | 36 | 76.3 Ų | 76.3 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156.3 | 171.7 | 72.3 | -95.6 | 0 | 0 | 0 | 112 | F9 V10 V38 R47 F51 | F9-F49 HydrophobicContact CD2-CD2 4.37Å; F9-F49 HydrophobicContact CE2-CB 3.78Å; F9-F49 AromaticContact CE2-CD2 3.56Å; F9-F49 HydrophobicContact CE2-CD2 3.56Å; F9-F49 HydrophobicContact CE2-CE2 4.33Å; F9-F49 AromaticContact CE2-CG 3.83Å; F9-F49 HydrophobicContact CE2-CG 3.83Å; F9-F49 HydrophobicContact CZ-CB 3.73Å; F9-F49 HydrophobicContact CZ-CD2 4.32Å; F9-F49 HydrophobicContact CZ-CG 4.13Å; V10-F49 CarbonylContact O-C 3.52Å; V10-F49 WeakPolarHBondContact O-CA 3.5Å; V10-F49 WeakPolarHBondContact O-CB 3.31Å; V38-F49 HydrophobicContact CB-CD2 3.94Å; V38-F49 HydrophobicContact CB-CE2 3.47Å; V38-F49 VanDerWaalsContact CB-CE2 3.47Å; V38-F49 HydrophobicContact CB-CZ 3.82Å; V38-F49 HydrophobicContact CG1-CE2 3.85Å; V38-F49 HydrophobicContact CG1-CZ 3.77Å; V38-F49 HydrophobicContact CG2-CD2 3.94Å; V38-F49 HydrophobicContact CG2-CE2 3.51Å; V38-F49 HydrophobicContact CG2-CZ 4.3Å; V38-F49 PolarHBondContact N-O 3.46Å; R47-F49 HydrophobicContact CB-CD1 3.55Å; R47-F49 HydrophobicContact CB-CE1 3.29Å; R47-F49 HydrophobicContact CB-CZ 4.16Å; R47-F49 HydrophobicContact CG-CE1 4.14Å; R47-F49 VanDerWaalsContact O-CD1 3.3Å; R47-F49 WeakPolarHBondContact O-CD1 3.48Å; R47-F49 PolarHBondContact O-N 2.87Å; F49-F51 HydrophobicContact CD2-CE2 4.29Å; F49-F51 HydrophobicContact CE2-CE2 4.08Å |
| 50 | G | 90.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | -178.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V10 V36 | V10-G50 PolarHBondContact N-O 3.48Å; V10-G50 PolarHBondContact O-N 3.02Å; V36-G50 CarbonylContact O-C 3.51Å; V36-G50 WeakPolarHBondContact O-CA 3.42Å |
| 51 | F | 91.6 | Very high | 83.7 | Confident | 57 Ų | 57 | 73.1 Ų | 73.1 | 25% | 0.25 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.1 | 174.2 | -63.2 | -88.7 | 0 | 0 | 0 | 109.5 | K7 L8 F9 C35 V36 V38 F49 A81 | K7-F51 HydrophobicContact CD-CD1 4.47Å; L8-F51 CarbonylContact O-C 3.4Å; L8-F51 VanDerWaalsContact O-CA 3.26Å; L8-F51 WeakPolarHBondContact O-CA 3.46Å; F9-F51 HydrophobicContact CB-CD1 4.25Å; F9-F51 HydrophobicContact CB-CE1 4.09Å; F9-F51 HydrophobicContact CD2-CD1 4.3Å; F9-F51 AromaticContact CD2-CE1 3.69Å; F9-F51 HydrophobicContact CD2-CE1 3.69Å; F9-F51 AromaticContact CD2-CZ 3.84Å; F9-F51 HydrophobicContact CD2-CZ 3.84Å; F9-F51 HydrophobicContact CE2-CZ 4.46Å; F9-F51 HydrophobicContact CG-CE1 4.39Å; C35-F51 WeakPolarHBondContact CA-O 3.28Å; V36-F51 PolarHBondContact N-O 2.92Å; V36-F51 PolarHBondContact O-N 3.39Å; V38-F51 HydrophobicContact CG2-CD2 3.98Å; V38-F51 HydrophobicContact CG2-CE2 3.94Å; F49-F51 HydrophobicContact CD2-CE2 4.29Å; F49-F51 HydrophobicContact CE2-CE2 4.08Å; F51-A81 HydrophobicContact CD1-CB 4.22Å; F51-A81 HydrophobicContact CE1-CB 4.37Å |
| 52 | V | 92.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137 | 171.3 | -61.5 | 0 | 0 | 0 | 0 | 108.1 | K7 L8 V10 L22 F26 L32 D34 Y54 | K7-V52 CarbonylContact C-O 3.58Å; K7-V52 WeakPolarHBondContact CA-O 3.37Å; L8-V52 HydrophobicContact CB-CG2 3.7Å; L8-V52 HydrophobicContact CD1-CG2 4.33Å; L8-V52 HydrophobicContact CG-CG2 4.34Å; L8-V52 PolarHBondContact N-O 3.28Å; L8-V52 PolarHBondContact O-N 2.76Å; V10-V52 HydrophobicContact CG2-CG1 4.19Å; V10-V52 HydrophobicContact CG2-CG2 4Å; L22-V52 HydrophobicContact CD1-CG1 4.36Å; L22-V52 HydrophobicContact CD2-CG1 3.76Å; L22-V52 HydrophobicContact CG-CG1 3.82Å; F26-V52 HydrophobicContact CB-CG1 4.26Å; F26-V52 HydrophobicContact CD1-CG2 4.21Å; F26-V52 HydrophobicContact CD2-CG1 4.09Å; F26-V52 HydrophobicContact CG-CG1 4.11Å; F26-V52 HydrophobicContact CG-CG2 4.33Å; L32-V52 HydrophobicContact CD2-CB 3.98Å; D34-V52 CarbonylContact O-C 3.6Å; V52-Y54 HydrophobicContact CG2-CE2 4.16Å |
| 53 | T | 91.1 | Very high | 85.2 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119.5 | 177.9 | -42 | 0 | 0 | 0 | 0 | 107.5 | C6 K7 L32 T33 D34 | C6-T53 HydrophobicContact CB-CG2 4.4Å; C6-T53 WeakPolarHBondContact O-CA 3.17Å; K7-T53 HydrophobicContact CB-CG2 4.2Å; K7-T53 PolarHBondContact NZ-OG1 2.85Å; L32-T53 CarbonylContact C-O 3.6Å; L32-T53 WeakPolarHBondContact CA-O 3.27Å; T33-T53 PolarHBondContact N-O 3.13Å; T33-T53 WeakPolarHBondContact OG1-CG2 3.2Å; T33-T53 PolarHBondContact OG1-O 2.78Å; D34-T53 PolarHBondContact N-O 2.67Å; D34-T53 PolarHBondContact O-N 3.18Å |
| 54 | Y | 92.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 166.5 | 174.9 | -75 | -80.4 | 0 | 0 | 0 | 111.6 | C6 L8 F26 A31 L32 T33 V52 T56 E59 A60 A63 | C6-Y54 WeakPolarHBondContact CB-O 3.37Å; C6-Y54 PolarHBondContact O-N 3.46Å; L8-Y54 HydrophobicContact CD1-CD2 4.3Å; L8-Y54 HydrophobicContact CD1-CE2 3.84Å; F26-Y54 WeakPolarHBondContact CB-OH 3.4Å; F26-Y54 WeakPolarHBondContact CD1-OH 3.28Å; F26-Y54 PolarHBondContact O-OH 3.42Å; A31-Y54 CarbonylContact O-C 3.54Å; L32-Y54 HydrophobicContact CD2-CD1 3.67Å; L32-Y54 HydrophobicContact CD2-CD2 4.17Å; L32-Y54 HydrophobicContact CD2-CE1 3.46Å; L32-Y54 VanDerWaalsContact CD2-CE1 3.46Å; L32-Y54 HydrophobicContact CD2-CE2 3.99Å; L32-Y54 HydrophobicContact CD2-CG 4.03Å; L32-Y54 HydrophobicContact CG-CD1 4.41Å; L32-Y54 HydrophobicContact CG-CE1 4.12Å; T33-Y54 PolarHBondContact OG1-O 3.43Å; V52-Y54 HydrophobicContact CG2-CE2 4.16Å; Y54-T56 WeakPolarHBondContact CB-O 3.37Å; Y54-E59 HydrophobicContact CD1-CB 3.59Å; Y54-E59 HydrophobicContact CE1-CB 4.28Å; Y54-E59 HydrophobicContact CG-CB 3.88Å; Y54-A60 HydrophobicContact CD2-CB 3.71Å; Y54-A60 HydrophobicContact CE2-CB 4.47Å; Y54-A60 HydrophobicContact CG-CB 4.3Å; Y54-A63 HydrophobicContact CE2-CB 3.84Å; Y54-A63 WeakPolarHBondContact OH-CB 3.15Å |
| 55 | S | 90.3 | Very high | 86.9 | Confident | 62 Ų | 62 | 49.2 Ų | 49.2 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -74.1 | -36 | 173.2 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | A31 T33 E59 | A31-S55 PolarHBondContact O-N 2.81Å; A31-S55 PolarHBondContact O-OG 3.06Å; T33-S55 WeakPolarHBondContact CG2-OG 3.42Å; S55-E59 PolarHBondContact N-OE2 3.43Å |
| 56 | T | 88.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 32% | 0.319 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -126.6 | 152.1 | -179.5 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | Y54 E58 E59 A60 | Y54-T56 WeakPolarHBondContact CB-O 3.37Å; T56-E58 PolarHBondContact O-N 3.1Å; T56-E59 PolarHBondContact N-OE2 3.28Å; T56-E59 PolarHBondContact O-N 3.41Å; T56-E59 WeakPolarHBondContact OG1-CG 3.43Å; T56-E59 PolarHBondContact OG1-N 3.04Å; T56-E59 PolarHBondContact OG1-OE2 3.35Å; T56-A60 PolarHBondContact O-N 3.19Å |
| 57 | P | 86.1 | Confident | 88.4 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.1 | -25.9 | 175.2 | 27.9 | -33.9 | 0 | 0 | 0 | 112 | L5 C6 A60 D61 | L5-P57 HydrophobicContact CB-CB 4.12Å; C6-P57 VanDerWaalsContact SG-N 3.42Å; P57-A60 WeakPolarHBondContact O-CB 3.12Å; P57-A60 PolarHBondContact O-N 3.47Å; P57-D61 PolarHBondContact O-N 3.39Å |
| 58 | E | 87.8 | Confident | 89 | Confident | 157 Ų | 157 | 44 Ų | 44 | 73% | 0.734 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.6 | -39.8 | 177.4 | -64.1 | 176.9 | -171.7 | 0 | 0 | 112 | T56 D61 A62 | T56-E58 PolarHBondContact O-N 3.1Å; E58-D61 WeakPolarHBondContact O-CB 3.48Å; E58-D61 PolarHBondContact O-N 3.49Å; E58-A62 PolarHBondContact O-N 3.09Å |
| 59 | E | 90.4 | Very high | 89.3 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 173.6 | -70.1 | 163.5 | 140.3 | 0 | 0 | 111.6 | A31 Y54 S55 T56 D61 A62 A63 | A31-E59 PolarHBondContact N-OE1 3.05Å; Y54-E59 HydrophobicContact CD1-CB 3.59Å; Y54-E59 HydrophobicContact CE1-CB 4.28Å; Y54-E59 HydrophobicContact CG-CB 3.88Å; S55-E59 PolarHBondContact N-OE2 3.43Å; T56-E59 PolarHBondContact N-OE2 3.28Å; T56-E59 PolarHBondContact O-N 3.41Å; T56-E59 WeakPolarHBondContact OG1-CG 3.43Å; T56-E59 PolarHBondContact OG1-N 3.04Å; T56-E59 PolarHBondContact OG1-OE2 3.35Å; E59-D61 VanDerWaalsContact C-N 3.26Å; E59-D61 PolarHBondContact O-N 2.92Å; E59-A62 PolarHBondContact O-N 3.19Å; E59-A63 PolarHBondContact O-N 3.31Å |
| 60 | A | 88.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L8 Y54 T56 P57 M64 | L8-A60 HydrophobicContact CD1-CB 4.28Å; L8-A60 HydrophobicContact CD2-CB 4.17Å; L8-A60 HydrophobicContact CG-CB 4.2Å; Y54-A60 HydrophobicContact CD2-CB 3.71Å; Y54-A60 HydrophobicContact CE2-CB 4.47Å; Y54-A60 HydrophobicContact CG-CB 4.3Å; T56-A60 PolarHBondContact O-N 3.19Å; P57-A60 WeakPolarHBondContact O-CB 3.12Å; P57-A60 PolarHBondContact O-N 3.47Å; A60-M64 VanDerWaalsContact O-CG 3.31Å; A60-M64 WeakPolarHBondContact O-CG 3.25Å; A60-M64 PolarHBondContact O-N 2.81Å |
| 61 | D | 87.8 | Confident | 89.1 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 173.6 | -69.4 | 5.6 | 0 | 0 | 0 | 112 | P57 E58 E59 A63 M64 A65 R80 K153 | P57-D61 PolarHBondContact O-N 3.39Å; E58-D61 WeakPolarHBondContact O-CB 3.48Å; E58-D61 PolarHBondContact O-N 3.49Å; E59-D61 VanDerWaalsContact C-N 3.26Å; E59-D61 PolarHBondContact O-N 2.92Å; D61-A63 VanDerWaalsContact C-N 3.35Å; D61-A63 PolarHBondContact O-N 3.07Å; D61-M64 PolarHBondContact O-N 3.18Å; D61-A65 WeakPolarHBondContact O-CB 3.39Å; D61-A65 PolarHBondContact O-N 2.95Å; D61-R80 IonicContact OD1-CZ 2.68Å; D61-R80 IonicContact OD1-NH1 3.65Å; D61-R80 PolarHBondContact OD1-NH1 3.32Å; D61-R80 IonicContact OD1-NH2 3.89Å; D61-R80 PolarHBondContact OD1-NH2 3.27Å; D61-K153 VanDerWaalsContact CG-CE 3.49Å; D61-K153 WeakPolarHBondContact OD1-CE 3.24Å; D61-K153 IonicContact OD1-NZ 2.72Å; D61-K153 PolarHBondContact OD1-NZ 3.32Å; D61-K153 WeakPolarHBondContact OD2-CE 3.35Å; D61-K153 IonicContact OD2-NZ 3.42Å; D61-K153 PolarHBondContact OD2-NZ 3.27Å |
| 62 | A | 88.9 | Confident | 88.7 | Confident | 48 Ų | 48 | 45.1 Ų | 45.1 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E58 E59 M64 A65 A66 | E58-A62 PolarHBondContact O-N 3.09Å; E59-A62 PolarHBondContact O-N 3.19Å; A62-M64 PolarHBondContact O-N 2.75Å; A62-A65 PolarHBondContact O-N 3.3Å; A62-A66 WeakPolarHBondContact O-CB 3.36Å; A62-A66 PolarHBondContact O-N 3.08Å |
| 63 | A | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L8 F26 Y29 Y54 E59 D61 A65 A66 H69 | L8-A63 HydrophobicContact CD1-CB 3.98Å; F26-A63 HydrophobicContact CD1-CB 4.47Å; Y29-A63 HydrophobicContact CD2-CB 4.32Å; Y29-A63 HydrophobicContact CG-CB 4.23Å; Y54-A63 HydrophobicContact CE2-CB 3.84Å; Y54-A63 WeakPolarHBondContact OH-CB 3.15Å; E59-A63 PolarHBondContact O-N 3.31Å; D61-A63 VanDerWaalsContact C-N 3.35Å; D61-A63 PolarHBondContact O-N 3.07Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.94Å; A63-A66 PolarHBondContact O-N 2.85Å; A63-H69 PolarHBondContact O-CE1 3.07Å; A63-H69 PolarHBondContact O-NE2 2.79Å |
| 64 | M | 89 | Confident | 88.1 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -33.6 | 177.1 | -71.2 | -66.5 | -83.2 | 0 | 0 | 113 | L8 A60 D61 A62 A66 R67 V78 D149 | L8-M64 HydrophobicContact CD1-CG 4.04Å; L8-M64 HydrophobicContact CD1-SD 4.29Å; L8-M64 HydrophobicContact CD2-CG 3.9Å; L8-M64 HydrophobicContact CD2-SD 4.18Å; A60-M64 VanDerWaalsContact O-CG 3.31Å; A60-M64 WeakPolarHBondContact O-CG 3.25Å; A60-M64 PolarHBondContact O-N 2.81Å; D61-M64 PolarHBondContact O-N 3.18Å; A62-M64 PolarHBondContact O-N 2.75Å; M64-A66 VanDerWaalsContact C-N 3.31Å; M64-R67 WeakPolarHBondContact O-CG 3.48Å; M64-R67 PolarHBondContact O-NE 2.92Å; M64-R67 PolarHBondContact O-NH2 3.37Å; M64-V78 HydrophobicContact SD-CB 3.9Å; M64-V78 HydrophobicContact SD-CG1 3.47Å; M64-V78 WeakPolarHBondContact SD-CG1 3.11Å; M64-D149 HydrophobicContact CE-CB 3.89Å; M64-D149 WeakPolarHBondContact CE-OD1 3.3Å |
| 65 | A | 87.2 | Confident | 88 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 71% | 0.711 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.2 | -29.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D61 A62 A63 R67 | D61-A65 WeakPolarHBondContact O-CB 3.39Å; D61-A65 PolarHBondContact O-N 2.95Å; A62-A65 PolarHBondContact O-N 3.3Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.94Å; A65-R67 PolarHBondContact O-N 3.1Å |
| 66 | A | 87.9 | Confident | 88 | Confident | 36 Ų | 36 | 53 Ų | 53 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 7.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y29 A62 A63 M64 | Y29-A66 HydrophobicContact CD1-CB 3.87Å; Y29-A66 HydrophobicContact CE1-CB 3.3Å; A62-A66 WeakPolarHBondContact O-CB 3.36Å; A62-A66 PolarHBondContact O-N 3.08Å; A63-A66 PolarHBondContact O-N 2.85Å; M64-A66 VanDerWaalsContact C-N 3.31Å |
| 67 | R | 87.8 | Confident | 88.1 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 148.2 | 174.8 | -72.6 | 175.1 | -58.2 | 178.2 | 6.4 | 111.2 | M64 A65 V78 D147 H148 | M64-R67 WeakPolarHBondContact O-CG 3.48Å; M64-R67 PolarHBondContact O-NE 2.92Å; M64-R67 PolarHBondContact O-NH2 3.37Å; A65-R67 PolarHBondContact O-N 3.1Å; R67-V78 HydrophobicContact CG-CB 4.46Å; R67-V78 PolarHBondContact NH1-O 2.88Å; R67-D147 IonicContact CZ-OD2 3.37Å; R67-D147 IonicContact NH2-OD1 3.51Å; R67-D147 IonicContact NH2-OD2 3.46Å; R67-D147 PolarHBondContact NH2-OD2 2.75Å; R67-H148 PolarHBondContact NH1-CE1 2.77Å; R67-H148 PolarHBondContact NH1-NE2 2.9Å |
| 68 | P | 88.6 | Confident | 88.2 | Confident | 119 Ų | 119 | 51.3 Ų | 51.3 | 77% | 0.773 | 32% | 0.318 | S | S | * | . | S | Bend | cis | -78.3 | 146.4 | 3.4 | 31.4 | -34.6 | 0 | 0 | 0 | 113.4 | ||
| 69 | H | 89.3 | Confident | 88.2 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 145.8 | 177.6 | -70.5 | -69.8 | 0 | 0 | 0 | 111.2 | H25 Y29 A63 V76 V78 | H25-H69 AromaticContact NE2-ND1 3.66Å; Y29-H69 AromaticContact CE2-CE1 3.3Å; Y29-H69 WeakPolarHBondContact CE2-CE1 3.44Å; Y29-H69 AromaticContact CE2-ND1 3.57Å; Y29-H69 AromaticContact CZ-CE1 3.41Å; Y29-H69 VanDerWaalsContact CZ-CE1 3.41Å; Y29-H69 AromaticContact CZ-ND1 3.74Å; Y29-H69 PolarHBondContact OH-CE1 2.89Å; Y29-H69 PolarHBondContact OH-ND1 3.08Å; A63-H69 PolarHBondContact O-CE1 3.07Å; A63-H69 PolarHBondContact O-NE2 2.79Å; H69-V76 HydrophobicContact CB-CG2 3.4Å; H69-V76 VanDerWaalsContact CB-CG2 3.4Å; H69-V76 PolarHBondContact O-N 3.08Å; H69-V78 HydrophobicContact CB-CG2 4.27Å; H69-V78 VanDerWaalsContact CD2-CG2 3.42Å; H69-V78 WeakPolarHBondContact CD2-CG2 3.23Å |
| 70 | T | 89.2 | Confident | 88.1 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 111.7 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 109 | H25 N74 | H25-T70 PolarHBondContact CE1-O 2.77Å; H25-T70 PolarHBondContact ND1-O 2.96Å; T70-N74 CarbonylContact C-O 3.58Å; T70-N74 WeakPolarHBondContact CA-O 3.47Å |
| 71 | V | 86.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.7 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | L13 T17 H25 F26 G73 N74 V76 | L13-V71 HydrophobicContact CD2-CB 4.19Å; L13-V71 HydrophobicContact CD2-CG1 4.21Å; L13-V71 HydrophobicContact CD2-CG2 4.36Å; T17-V71 HydrophobicContact CG2-CG1 3.95Å; H25-V71 HydrophobicContact CB-CG1 4.49Å; H25-V71 HydrophobicContact CB-CG2 4.2Å; F26-V71 HydrophobicContact CE2-CG2 4.03Å; V71-G73 PolarHBondContact O-N 3.14Å; V71-G73 VanDerWaalsContact O-N 3.13Å; V71-N74 PolarHBondContact N-O 3.26Å; V71-N74 PolarHBondContact O-N 2.91Å; V71-V76 HydrophobicContact CB-CG1 3.78Å; V71-V76 HydrophobicContact CG2-CB 4.45Å; V71-V76 HydrophobicContact CG2-CG1 3.74Å; V71-V76 HydrophobicContact CG2-CG2 3.81Å |
| 72 | D | 83.3 | Confident | 87.6 | Confident | 92 Ų | 92 | 44.1 Ų | 44.1 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 36.2 | -179.4 | -55.1 | -36.4 | 0 | 0 | 0 | 114.3 | T17 N74 | T17-D72 WeakPolarHBondContact CB-OD2 3.38Å; T17-D72 VanDerWaalsContact CG2-OD2 3.3Å; T17-D72 WeakPolarHBondContact CG2-OD2 3.3Å; T17-D72 PolarHBondContact OG1-OD2 2.89Å; D72-N74 VanDerWaalsContact C-N 3.25Å; D72-N74 PolarHBondContact O-N 2.88Å |
| 73 | G | 83.3 | Confident | 87.1 | Confident | 73 Ų | 73 | 42.4 Ų | 42.4 | 75% | 0.753 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -0.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | V71 | V71-G73 PolarHBondContact O-N 3.14Å; V71-G73 VanDerWaalsContact O-N 3.13Å |
| 74 | N | 87.3 | Confident | 86.5 | Confident | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 135.2 | 175.6 | -152 | 30.3 | 0 | 0 | 0 | 111.6 | G12 N14 T70 V71 D72 V76 | G12-N74 PolarHBondContact O-ND2 3.36Å; N14-N74 HydrophobicContact CB-CB 4.49Å; T70-N74 CarbonylContact C-O 3.58Å; T70-N74 WeakPolarHBondContact CA-O 3.47Å; V71-N74 PolarHBondContact N-O 3.26Å; V71-N74 PolarHBondContact O-N 2.91Å; D72-N74 VanDerWaalsContact C-N 3.25Å; D72-N74 PolarHBondContact O-N 2.88Å; N74-V76 PolarHBondContact O-N 3.33Å |
| 75 | S | 89.4 | Confident | 85.9 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 117.3 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 110 | ||
| 76 | V | 91.3 | Very high | 85.3 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 146.2 | -178.4 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | V10 G11 L13 F26 H69 V71 N74 V78 | V10-V76 HydrophobicContact CG1-CB 3.82Å; V10-V76 HydrophobicContact CG1-CG1 4.31Å; V10-V76 HydrophobicContact CG1-CG2 3.89Å; G11-V76 CarbonylContact O-C 3.6Å; G11-V76 VanDerWaalsContact O-CA 3.31Å; G11-V76 WeakPolarHBondContact O-CA 3.42Å; G11-V76 WeakPolarHBondContact O-CB 3.14Å; L13-V76 HydrophobicContact CD2-CG1 3.65Å; L13-V76 HydrophobicContact CG-CG1 4.46Å; F26-V76 HydrophobicContact CZ-CG2 4.41Å; H69-V76 HydrophobicContact CB-CG2 3.4Å; H69-V76 VanDerWaalsContact CB-CG2 3.4Å; H69-V76 PolarHBondContact O-N 3.08Å; V71-V76 HydrophobicContact CB-CG1 3.78Å; V71-V76 HydrophobicContact CG2-CB 4.45Å; V71-V76 HydrophobicContact CG2-CG1 3.74Å; V71-V76 HydrophobicContact CG2-CG2 3.81Å; N74-V76 PolarHBondContact O-N 3.33Å; V76-V78 HydrophobicContact CG2-CG2 4.1Å |
| 77 | E | 88.9 | Confident | 84.5 | Confident | 68 Ų | 68 | 56.8 Ų | 56.8 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 113.6 | 173.2 | -169.9 | 176.5 | -151.6 | 0 | 0 | 110 | V10 G11 K79 K95 | V10-E77 CarbonylContact C-O 3.44Å; V10-E77 WeakPolarHBondContact CA-O 3.23Å; G11-E77 PolarHBondContact N-O 3.31Å; G11-E77 PolarHBondContact O-N 3.43Å; E77-K79 HydrophobicContact CG-CD 4.42Å; E77-K79 HydrophobicContact CG-CG 4.38Å; E77-K79 WeakPolarHBondContact OE1-CE 3.49Å; E77-K79 IonicContact OE1-NZ 2.59Å; E77-K79 PolarHBondContact OE1-NZ 3.46Å; E77-K79 WeakPolarHBondContact OE2-CE 3.46Å; E77-K79 IonicContact OE2-NZ 2.81Å; E77-K79 PolarHBondContact OE2-NZ 3.31Å; E77-K95 IonicContact OE1-NZ 2.68Å; E77-K95 PolarHBondContact OE1-NZ 3.23Å |
| 78 | V | 89.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129 | 176.6 | -166.1 | 0 | 0 | 0 | 0 | 110.1 | L8 F9 V10 F26 M64 R67 H69 V76 | L8-V78 HydrophobicContact CB-CG1 3.97Å; L8-V78 HydrophobicContact CD1-CG1 3.78Å; L8-V78 HydrophobicContact CG-CG1 4.41Å; F9-V78 WeakPolarHBondContact O-CA 3.38Å; V10-V78 HydrophobicContact CG1-CG2 4.38Å; V10-V78 HydrophobicContact CG2-CG1 4.39Å; V10-V78 HydrophobicContact CG2-CG2 4.42Å; F26-V78 HydrophobicContact CE1-CG1 4.26Å; F26-V78 HydrophobicContact CE1-CG2 3.85Å; F26-V78 HydrophobicContact CZ-CG2 3.56Å; M64-V78 HydrophobicContact SD-CB 3.9Å; M64-V78 HydrophobicContact SD-CG1 3.47Å; M64-V78 WeakPolarHBondContact SD-CG1 3.11Å; R67-V78 HydrophobicContact CG-CB 4.46Å; R67-V78 PolarHBondContact NH1-O 2.88Å; H69-V78 HydrophobicContact CB-CG2 4.27Å; H69-V78 VanDerWaalsContact CD2-CG2 3.42Å; H69-V78 WeakPolarHBondContact CD2-CG2 3.23Å; V76-V78 HydrophobicContact CG2-CG2 4.1Å |
| 79 | K | 88.2 | Confident | 83 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 160.2 | -179.8 | -74.1 | 171.7 | 170 | 155.3 | 0 | 110 | L8 F9 E77 | L8-K79 CarbonylContact C-O 3.6Å; L8-K79 VanDerWaalsContact CA-O 3.31Å; L8-K79 WeakPolarHBondContact CA-O 3.45Å; F9-K79 HydrophobicContact CB-CB 4.5Å; F9-K79 HydrophobicContact CD1-CB 4.36Å; F9-K79 PolarHBondContact N-O 3.19Å; F9-K79 PolarHBondContact O-N 3.19Å; E77-K79 HydrophobicContact CG-CD 4.42Å; E77-K79 HydrophobicContact CG-CG 4.38Å; E77-K79 WeakPolarHBondContact OE1-CE 3.49Å; E77-K79 IonicContact OE1-NZ 2.59Å; E77-K79 PolarHBondContact OE1-NZ 3.46Å; E77-K79 WeakPolarHBondContact OE2-CE 3.46Å; E77-K79 IonicContact OE2-NZ 2.81Å; E77-K79 PolarHBondContact OE2-NZ 3.31Å |
| 80 | R | 87.8 | Confident | 82.1 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 140.8 | 168.2 | -63.2 | -72 | 161.8 | 168.5 | -2.5 | 110.1 | L5 D61 V82 D149 D152 | L5-R80 PolarHBondContact O-NH1 3.35Å; D61-R80 IonicContact OD1-CZ 2.68Å; D61-R80 IonicContact OD1-NH1 3.65Å; D61-R80 PolarHBondContact OD1-NH1 3.32Å; D61-R80 IonicContact OD1-NH2 3.89Å; D61-R80 PolarHBondContact OD1-NH2 3.27Å; R80-V82 PolarHBondContact O-N 2.87Å; R80-D149 WeakPolarHBondContact CG-OD1 3.31Å; R80-D149 IonicContact CZ-OD1 2.61Å; R80-D149 IonicContact NE-OD1 3.1Å; R80-D149 PolarHBondContact NE-OD1 2.8Å; R80-D149 IonicContact NH2-OD1 2.73Å; R80-D149 PolarHBondContact NH2-OD1 2.9Å; R80-D149 IonicContact NH2-OD2 3.22Å; R80-D149 PolarHBondContact NH2-OD2 3.41Å; R80-D149 VanDerWaalsContact NH2-OD2 3.1Å; R80-D152 HydrophobicContact CB-CB 3.9Å; R80-D152 HydrophobicContact CG-CB 3.66Å |
| 81 | A | 85.2 | Confident | 81.3 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 124.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K7 F51 | K7-A81 HydrophobicContact CB-CB 3.74Å; K7-A81 HydrophobicContact CD-CB 4Å; K7-A81 HydrophobicContact CG-CB 3.64Å; K7-A81 WeakPolarHBondContact O-CB 3.43Å; K7-A81 PolarHBondContact O-N 3.07Å; F51-A81 HydrophobicContact CD1-CB 4.22Å; F51-A81 HydrophobicContact CE1-CB 4.37Å |
| 82 | V | 80.1 | Confident | 80.7 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 140 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | R80 D86 A92 L93 | R80-V82 PolarHBondContact O-N 2.87Å; V82-D86 HydrophobicContact CG1-CB 3.71Å; V82-A92 HydrophobicContact CG1-CB 3.56Å; V82-A92 HydrophobicContact CG2-CB 4.4Å; V82-A92 WeakPolarHBondContact CG2-O 3.4Å; V82-L93 HydrophobicContact CB-CD2 4.49Å; V82-L93 HydrophobicContact CG2-CD2 4.03Å |
| 83 | A | 78.9 | Confident | 80.2 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 141.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q4 E85 D86 A87 | Q4-A83 VanDerWaalsContact NE2-CB 3.26Å; A83-E85 PolarHBondContact O-N 3.01Å; A83-E85 VanDerWaalsContact O-N 3.1Å; A83-D86 CarbonylContact O-C 3.42Å; A83-D86 PolarHBondContact O-N 2.88Å; A83-A87 PolarHBondContact O-N 3.22Å |
| 84 | R | 76.8 | Confident | 80 | Confident | 223 Ų | 223 | 62 Ų | 62 | 84% | 0.842 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33.5 | -176.2 | -171 | 174.8 | -179.9 | 174.7 | -0.8 | 113.3 | ||
| 85 | E | 77.1 | Confident | 79.8 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -36.7 | 176.2 | -61.5 | 120.2 | -136.4 | 0 | 0 | 112.8 | A83 | A83-E85 PolarHBondContact O-N 3.01Å; A83-E85 VanDerWaalsContact O-N 3.1Å |
| 86 | D | 74.2 | Confident | 79.6 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -13.8 | -178.4 | -64.8 | -53 | 0 | 0 | 0 | 112.3 | V82 A83 N88 K89 A92 K158 | V82-D86 HydrophobicContact CG1-CB 3.71Å; A83-D86 CarbonylContact O-C 3.42Å; A83-D86 PolarHBondContact O-N 2.88Å; D86-N88 PolarHBondContact O-N 3.44Å; D86-N88 VanDerWaalsContact O-N 3.14Å; D86-K89 WeakPolarHBondContact O-CB 3.08Å; D86-K89 PolarHBondContact O-N 3.28Å; D86-K89 IonicContact OD1-NZ 2.69Å; D86-K89 PolarHBondContact OD1-NZ 3.22Å; D86-A92 HydrophobicContact CB-CB 4.04Å; D86-A92 VanDerWaalsContact O-CB 3.25Å; D86-A92 WeakPolarHBondContact O-CB 3.5Å; D86-K158 IonicContact OD1-NZ 2.71Å; D86-K158 PolarHBondContact OD1-NZ 3.44Å; D86-K158 WeakPolarHBondContact OD2-CE 3.38Å; D86-K158 IonicContact OD2-NZ 2.85Å; D86-K158 PolarHBondContact OD2-NZ 3.39Å |
| 87 | A | 71.7 | Confident | 79.6 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A83 K89 L93 | A83-A87 PolarHBondContact O-N 3.22Å; A87-K89 VanDerWaalsContact C-N 3.28Å; A87-L93 VanDerWaalsContact O-CD1 3.3Å; A87-L93 WeakPolarHBondContact O-CD1 3.16Å |
| 88 | N | 71.4 | Confident | 79.7 | Confident | 143 Ų | 143 | 65.4 Ų | 65.4 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.3 | 173.8 | -62.4 | -50.4 | 0 | 0 | 0 | 113 | D86 | D86-N88 PolarHBondContact O-N 3.44Å; D86-N88 VanDerWaalsContact O-N 3.14Å |
| 89 | K | 74.2 | Confident | 79.8 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | trans | -89.9 | 119.6 | 179 | -63.3 | 176.1 | -175.8 | 160.2 | 0 | 108.6 | D86 A87 E91 A92 | D86-K89 WeakPolarHBondContact O-CB 3.08Å; D86-K89 PolarHBondContact O-N 3.28Å; D86-K89 IonicContact OD1-NZ 2.69Å; D86-K89 PolarHBondContact OD1-NZ 3.22Å; A87-K89 VanDerWaalsContact C-N 3.28Å; K89-E91 HydrophobicContact CB-CB 4.45Å; K89-E91 PolarHBondContact O-N 2.61Å; K89-E91 VanDerWaalsContact O-N 3.14Å; K89-A92 HydrophobicContact CB-CB 4.32Å; K89-A92 PolarHBondContact O-N 2.83Å | ||
| 90 | P | 70.4 | Confident | 80 | Confident | 95 Ų | 95 | 66 Ų | 66 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.7 | -29.2 | 175.3 | 24.8 | -33.4 | 0 | 0 | 0 | 111.3 | A92 L93 A94 | P90-A92 VanDerWaalsContact C-N 3.32Å; P90-A92 PolarHBondContact O-N 2.73Å; P90-L93 PolarHBondContact O-N 3.37Å; P90-A94 WeakPolarHBondContact O-CB 3.47Å; P90-A94 PolarHBondContact O-N 2.92Å |
| 91 | E | 72.8 | Confident | 80.1 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -52.1 | -46.6 | 170.8 | -81.6 | -172.9 | 150.7 | 0 | 0 | 113.5 | K89 L93 A94 K171 L173 | K89-E91 HydrophobicContact CB-CB 4.45Å; K89-E91 PolarHBondContact O-N 2.61Å; K89-E91 VanDerWaalsContact O-N 3.14Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 3.28Å; E91-A94 PolarHBondContact O-N 3.31Å; E91-K171 WeakPolarHBondContact O-CB 3.43Å; E91-K171 WeakPolarHBondContact O-CD 3.27Å; E91-L173 HydrophobicContact CB-CD2 4.5Å; E91-L173 HydrophobicContact CG-CD1 3.27Å; E91-L173 HydrophobicContact CG-CD2 3.7Å; E91-L173 HydrophobicContact CG-CG 3.4Å; E91-L173 VanDerWaalsContact CG-CG 3.4Å; E91-L173 WeakPolarHBondContact OE1-CD1 3.39Å; E91-L173 WeakPolarHBondContact OE1-CG 3.41Å |
| 92 | A | 74 | Confident | 80.4 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.7 | -26.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V82 D86 K89 P90 K171 | V82-A92 HydrophobicContact CG1-CB 3.56Å; V82-A92 HydrophobicContact CG2-CB 4.4Å; V82-A92 WeakPolarHBondContact CG2-O 3.4Å; D86-A92 HydrophobicContact CB-CB 4.04Å; D86-A92 VanDerWaalsContact O-CB 3.25Å; D86-A92 WeakPolarHBondContact O-CB 3.5Å; K89-A92 HydrophobicContact CB-CB 4.32Å; K89-A92 PolarHBondContact O-N 2.83Å; P90-A92 VanDerWaalsContact C-N 3.32Å; P90-A92 PolarHBondContact O-N 2.73Å; A92-K171 WeakPolarHBondContact O-CE 3.28Å; A92-K171 PolarHBondContact O-NZ 3.07Å |
| 93 | L | 73 | Confident | 80.8 | Confident | 95 Ų | 95 | 65.5 Ų | 65.5 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -90.2 | -13.2 | 177.8 | -65.4 | 171.6 | 0 | 0 | 0 | 113.2 | V82 A87 P90 E91 K95 | V82-L93 HydrophobicContact CB-CD2 4.49Å; V82-L93 HydrophobicContact CG2-CD2 4.03Å; A87-L93 VanDerWaalsContact O-CD1 3.3Å; A87-L93 WeakPolarHBondContact O-CD1 3.16Å; P90-L93 PolarHBondContact O-N 3.37Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 3.28Å; L93-K95 PolarHBondContact O-N 3.33Å |
| 94 | A | 78.7 | Confident | 81.2 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | trans | -62.5 | 134.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P90 E91 V96 K171 L173 | P90-A94 WeakPolarHBondContact O-CB 3.47Å; P90-A94 PolarHBondContact O-N 2.92Å; E91-A94 PolarHBondContact O-N 3.31Å; A94-V96 VanDerWaalsContact C-N 3.34Å; A94-V96 HydrophobicContact CB-CG1 3.97Å; A94-V96 PolarHBondContact O-N 3.01Å; A94-V96 VanDerWaalsContact O-N 3.1Å; A94-K171 WeakPolarHBondContact O-CD 3.3Å; A94-K171 WeakPolarHBondContact O-CE 3.3Å; A94-K171 PolarHBondContact O-NZ 2.9Å; A94-L173 HydrophobicContact CB-CD2 4.48Å | ||
| 95 | K | 82.3 | Confident | 81.6 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | trans | -83.4 | 80.6 | 175.6 | -172.6 | 174.9 | -169.8 | 159.5 | 0 | 109 | E77 L93 H148 | E77-K95 IonicContact OE1-NZ 2.68Å; E77-K95 PolarHBondContact OE1-NZ 3.23Å; L93-K95 PolarHBondContact O-N 3.33Å; K95-H148 VanDerWaalsContact CE-NE2 3.32Å; K95-H148 WeakPolarHBondContact CE-NE2 3.26Å; K95-H148 HydrophobicContact CG-CB 4.3Å | ||
| 96 | V | 86.1 | Confident | 81.9 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | trans | -113.6 | 140.8 | -178.5 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | A94 K98 A151 K171 | A94-V96 VanDerWaalsContact C-N 3.34Å; A94-V96 HydrophobicContact CB-CG1 3.97Å; A94-V96 PolarHBondContact O-N 3.01Å; A94-V96 VanDerWaalsContact O-N 3.1Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 WeakPolarHBondContact CG2-O 3.34Å; V96-A151 VanDerWaalsContact O-CB 3.3Å; V96-A151 WeakPolarHBondContact O-CB 3.46Å; V96-K171 HydrophobicContact CG2-CB 3.62Å; V96-K171 HydrophobicContact CG2-CD 3.97Å; V96-K171 HydrophobicContact CG2-CG 3.74Å | ||
| 97 | K | 90.3 | Very high | 82.4 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -88.7 | -4.8 | 169.8 | -61.7 | -172.1 | 179 | -162.5 | 0 | 112.6 | F145 T146 H148 | K97-F145 WeakPolarHBondContact CB-O 3.24Å; K97-F145 PolarHBondContact O-N 3.46Å; K97-T146 WeakPolarHBondContact CE-O 3.46Å; K97-T146 PolarHBondContact NZ-O 3.49Å; K97-H148 HydrophobicContact CG-CB 4.33Å |
| 98 | K | 90.5 | Very high | 83 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.1 | -173 | -172.2 | -174.9 | 174 | 157.7 | 0 | 109.7 | V96 F142 V143 Y144 A172 | V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 WeakPolarHBondContact CG2-O 3.34Å; K98-F142 HydrophobicContact CD-CD1 4.24Å; K98-F142 HydrophobicContact CG-CB 4.44Å; K98-F142 HydrophobicContact CG-CD1 4.34Å; K98-V143 CarbonylContact C-O 3.54Å; K98-V143 WeakPolarHBondContact CA-O 3.46Å; K98-Y144 HydrophobicContact CB-CD1 4.22Å; K98-Y144 HydrophobicContact CB-CE1 4.42Å; K98-Y144 HydrophobicContact CD-CD1 4.19Å; K98-Y144 HydrophobicContact CD-CE1 3.56Å; K98-Y144 WeakPolarHBondContact CE-OH 3.49Å; K98-Y144 HydrophobicContact CG-CD1 3.99Å; K98-Y144 HydrophobicContact CG-CE1 3.86Å; K98-Y144 HydrophobicContact CG-CG 4.48Å; K98-Y144 PolarHBondContact NZ-OH 3.1Å; K98-A172 HydrophobicContact CB-CB 3.93Å; K98-A172 HydrophobicContact CD-CB 3.73Å; K98-A172 HydrophobicContact CG-CB 3.53Å; K98-A172 VanDerWaalsContact O-CB 3.3Å; K98-A172 WeakPolarHBondContact O-CB 3.06Å; K98-A172 PolarHBondContact O-N 3.48Å |
| 99 | I | 92.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 145.3 | 171.6 | 62 | 165 | 0 | 0 | 0 | 110.4 | I101 F117 F142 V143 F145 A151 A154 V155 V169 K170 | I99-I101 HydrophobicContact CD1-CD1 4.08Å; I99-I101 HydrophobicContact CD1-CG1 4.04Å; I99-I101 HydrophobicContact CG1-CD1 4.41Å; I99-I101 HydrophobicContact CG1-CG1 4.33Å; I99-F117 HydrophobicContact CD1-CD1 3.77Å; I99-F117 HydrophobicContact CD1-CD2 4.49Å; I99-F117 HydrophobicContact CD1-CE1 3.72Å; I99-F117 HydrophobicContact CD1-CE2 4.48Å; I99-F117 HydrophobicContact CD1-CG 4.19Å; I99-F117 HydrophobicContact CD1-CZ 4.11Å; I99-F142 VanDerWaalsContact O-CA 3.24Å; I99-F142 WeakPolarHBondContact O-CA 3.37Å; I99-V143 HydrophobicContact CD1-CB 3.97Å; I99-V143 HydrophobicContact CD1-CG1 4.39Å; I99-V143 HydrophobicContact CG1-CB 3.67Å; I99-V143 HydrophobicContact CG1-CG1 4.3Å; I99-V143 PolarHBondContact N-O 2.73Å; I99-V143 PolarHBondContact O-N 2.95Å; I99-F145 HydrophobicContact CB-CE2 4.47Å; I99-F145 HydrophobicContact CD1-CE2 3.56Å; I99-F145 HydrophobicContact CD1-CZ 3.98Å; I99-F145 HydrophobicContact CG1-CD2 4.46Å; I99-F145 HydrophobicContact CG1-CE2 3.72Å; I99-F145 HydrophobicContact CG2-CD2 4.4Å; I99-F145 HydrophobicContact CG2-CE2 3.94Å; I99-A151 HydrophobicContact CG2-CB 3.62Å; I99-A154 HydrophobicContact CD1-CB 4.21Å; I99-V155 HydrophobicContact CG2-CG1 4.08Å; I99-V169 HydrophobicContact CB-CG1 4.2Å; I99-V169 HydrophobicContact CD1-CG1 3.88Å; I99-K170 CarbonylContact C-O 3.53Å; I99-K170 WeakPolarHBondContact CA-O 3.42Å |
| 100 | F | 91.6 | Very high | 84.4 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.1 | 169.3 | 169.9 | -91.2 | 0 | 0 | 0 | 108.3 | F140 F142 V169 K170 A172 | F100-F140 HydrophobicContact CD2-CD2 4.33Å; F100-F140 HydrophobicContact CE2-CB 3.59Å; F100-F140 AromaticContact CE2-CD2 3.63Å; F100-F140 HydrophobicContact CE2-CD2 3.63Å; F100-F140 HydrophobicContact CE2-CE2 4.49Å; F100-F140 AromaticContact CE2-CG 3.76Å; F100-F140 HydrophobicContact CE2-CG 3.76Å; F100-F140 HydrophobicContact CZ-CB 3.68Å; F100-F140 HydrophobicContact CZ-CG 4.2Å; F100-F142 HydrophobicContact CB-CD1 4.19Å; F100-F142 HydrophobicContact CB-CE1 4.01Å; F100-F142 HydrophobicContact CD2-CD1 4.28Å; F100-F142 AromaticContact CD2-CE1 3.63Å; F100-F142 HydrophobicContact CD2-CE1 3.63Å; F100-F142 AromaticContact CD2-CZ 3.95Å; F100-F142 HydrophobicContact CD2-CZ 3.95Å; F100-F142 HydrophobicContact CG-CE1 4.32Å; F100-V169 WeakPolarHBondContact O-CA 3.33Å; F100-K170 HydrophobicContact CB-CB 4.48Å; F100-K170 HydrophobicContact CD1-CB 4.36Å; F100-K170 PolarHBondContact N-O 3.42Å; F100-K170 PolarHBondContact O-N 3.12Å; F100-A172 HydrophobicContact CB-CB 4.22Å |
| 101 | I | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 111.8 | 178.2 | -54.5 | 155.4 | 0 | 0 | 0 | 107.2 | I99 L104 L113 F117 F140 G141 V143 V167 E168 V169 | I99-I101 HydrophobicContact CD1-CD1 4.08Å; I99-I101 HydrophobicContact CD1-CG1 4.04Å; I99-I101 HydrophobicContact CG1-CD1 4.41Å; I99-I101 HydrophobicContact CG1-CG1 4.33Å; I101-L104 HydrophobicContact CB-CD2 4.49Å; I101-L104 HydrophobicContact CG2-CD2 3.58Å; I101-L104 HydrophobicContact CG2-CG 4.23Å; I101-L113 HydrophobicContact CD1-CD1 4Å; I101-L113 HydrophobicContact CD1-CD2 4.2Å; I101-L113 HydrophobicContact CD1-CG 4.48Å; I101-L113 HydrophobicContact CG2-CD2 4.44Å; I101-F117 HydrophobicContact CD1-CD2 3.88Å; I101-F117 HydrophobicContact CD1-CE2 3.36Å; I101-F117 HydrophobicContact CD1-CZ 3.95Å; I101-F117 HydrophobicContact CG1-CE2 3.96Å; I101-F117 HydrophobicContact CG1-CZ 4.04Å; I101-F140 CarbonylContact O-C 3.53Å; I101-F140 WeakPolarHBondContact O-CA 3.43Å; I101-F140 WeakPolarHBondContact O-CB 2.82Å; I101-G141 PolarHBondContact N-O 2.98Å; I101-G141 PolarHBondContact O-N 2.91Å; I101-V143 HydrophobicContact CD1-CB 3.98Å; I101-V143 HydrophobicContact CD1-CG2 3.36Å; I101-V167 HydrophobicContact CG2-CB 3.84Å; I101-V167 HydrophobicContact CG2-CG1 4.44Å; I101-V167 HydrophobicContact CG2-CG2 3.94Å; I101-E168 CarbonylContact C-O 3.55Å; I101-E168 WeakPolarHBondContact CA-O 3.44Å; I101-V169 HydrophobicContact CG1-CG2 4.27Å; I101-V169 HydrophobicContact CG2-CG2 4.44Å |
| 102 | G | 90.7 | Very high | 86.2 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 160.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L104 V167 E168 | G102-L104 VanDerWaalsContact C-N 3.35Å; G102-V167 CarbonylContact O-C 3.58Å; G102-V167 WeakPolarHBondContact O-CA 3.13Å; G102-E168 PolarHBondContact N-O 3.17Å; G102-E168 PolarHBondContact O-N 2.89Å |
| 103 | G | 87.9 | Confident | 86.9 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | trans | 77.6 | 22.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G139 | G103-G139 PolarHBondContact N-O 2.95Š| ||
| 104 | L | 87.4 | Confident | 87.8 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -65.3 | 136.4 | 171.5 | -58.5 | -176.6 | 0 | 0 | 0 | 109.3 | I101 G102 I108 L113 V128 G139 V167 | I101-L104 HydrophobicContact CB-CD2 4.49Å; I101-L104 HydrophobicContact CG2-CD2 3.58Å; I101-L104 HydrophobicContact CG2-CG 4.23Å; G102-L104 VanDerWaalsContact C-N 3.35Å; L104-I108 HydrophobicContact CD2-CB 4.46Å; L104-I108 HydrophobicContact CD2-CD1 3.99Å; L104-I108 HydrophobicContact CD2-CG2 4.06Å; L104-L113 HydrophobicContact CD1-CD1 3.96Å; L104-L113 HydrophobicContact CD2-CD2 3.79Å; L104-V128 HydrophobicContact CD1-CG1 4.26Å; L104-V128 HydrophobicContact CD1-CG2 4.09Å; L104-G139 PolarHBondContact N-O 2.81Å; L104-G139 WeakPolarHBondContact O-CA 3.43Å; L104-V167 HydrophobicContact CD2-CB 4.42Å; L104-V167 HydrophobicContact CD2-CG1 3.74Å | ||
| 105 | K | 85.8 | Confident | 88.4 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | trans | -94.4 | 168.7 | 170.1 | -81.2 | -154.7 | -171 | 176 | 0 | 111 | D107 I108 | K105-D107 WeakPolarHBondContact CB-OD1 3.3Å; K105-D107 PolarHBondContact O-N 3.14Å; K105-I108 PolarHBondContact O-N 3.38Å | ||
| 106 | D | 83 | Confident | 88.8 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.3 | -177.2 | -71.8 | -43 | 0 | 0 | 0 | 113.5 | K137 | D106-K137 VanDerWaalsContact O-CE 3.25Å; D106-K137 WeakPolarHBondContact O-CE 3.36Å; D106-K137 PolarHBondContact O-NZ 2.81Å; D106-K137 WeakPolarHBondContact OD1-CB 3.42Å; D106-K137 PolarHBondContact OD1-N 2.83Å |
| 107 | D | 84.7 | Confident | 89 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.1 | 175.2 | 67.2 | -52.5 | 0 | 0 | 0 | 113.3 | K105 N163 H165 | K105-D107 WeakPolarHBondContact CB-OD1 3.3Å; K105-D107 PolarHBondContact O-N 3.14Å; D107-N163 PolarHBondContact OD2-ND2 2.8Å; D107-H165 VanDerWaalsContact CG-CD2 3.49Å; D107-H165 IonicContact OD1-CD2 3.19Å; D107-H165 PolarHBondContact OD1-CD2 2.88Å; D107-H165 IonicContact OD1-NE2 3.38Å; D107-H165 PolarHBondContact OD1-NE2 3.32Å; D107-H165 IonicContact OD2-CD2 3.07Å; D107-H165 PolarHBondContact OD2-CD2 2.79Å; D107-H165 IonicContact OD2-NE2 3.15Å; D107-H165 PolarHBondContact OD2-NE2 2.72Å; D107-H165 VanDerWaalsContact OD2-NE2 3.15Å |
| 108 | I | 84.8 | Confident | 89 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -84.1 | 122.2 | -178.9 | -52.7 | -178.3 | 0 | 0 | 0 | 110.2 | L104 K105 H112 L113 K137 V162 H165 V167 | L104-I108 HydrophobicContact CD2-CB 4.46Å; L104-I108 HydrophobicContact CD2-CD1 3.99Å; L104-I108 HydrophobicContact CD2-CG2 4.06Å; K105-I108 PolarHBondContact O-N 3.38Å; I108-H112 HydrophobicContact CG2-CB 4.28Å; I108-L113 HydrophobicContact CG2-CD2 3.84Å; I108-L113 HydrophobicContact CG2-CG 4.23Å; I108-K137 PolarHBondContact O-NZ 3.28Å; I108-V162 HydrophobicContact CG2-CG1 4.47Å; I108-H165 HydrophobicContact CD1-CB 3.96Å; I108-V167 HydrophobicContact CD1-CG1 4.01Å | ||
| 109 | E | 87.3 | Confident | 88.9 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | trans | -106.2 | 168.3 | 176 | -61.1 | -168.9 | 169.1 | 0 | 0 | 112 | Q111 H112 L113 | E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.18Å; E109-H112 PolarHBondContact O-N 2.91Å; E109-L113 PolarHBondContact O-N 2.85Å | ||
| 110 | E | 88.6 | Confident | 88.6 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.6 | -38.4 | 178 | -75.2 | 177.9 | -175.9 | 0 | 0 | 112.7 | H112 L113 T114 S126 E127 V128 | E110-H112 PolarHBondContact O-N 3.18Å; E110-L113 PolarHBondContact O-N 2.84Å; E110-T114 PolarHBondContact O-N 2.68Å; E110-T114 PolarHBondContact O-OG1 2.84Å; E110-S126 WeakPolarHBondContact CB-OG 3.3Å; E110-S126 PolarHBondContact O-OG 3.11Å; E110-S126 VanDerWaalsContact O-OG 3.07Å; E110-E127 WeakPolarHBondContact OE1-CA 3.48Å; E110-V128 HydrophobicContact CB-CG2 4.5Å; E110-V128 HydrophobicContact CG-CB 3.93Å; E110-V128 HydrophobicContact CG-CG2 3.59Å; E110-V128 PolarHBondContact OE1-N 3.09Å |
| 111 | Q | 89.5 | Confident | 88.4 | Confident | 131 Ų | 131 | 56.8 Ų | 56.8 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 178.4 | -66 | 179.7 | -2.6 | 0 | 0 | 111.5 | E109 L113 T114 D115 | E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 PolarHBondContact O-N 3.18Å; Q111-L113 VanDerWaalsContact C-N 3.26Å; Q111-L113 PolarHBondContact O-N 3.34Å; Q111-T114 PolarHBondContact O-N 2.59Å; Q111-D115 WeakPolarHBondContact O-CB 3.47Å; Q111-D115 VanDerWaalsContact O-CG 3.25Å; Q111-D115 PolarHBondContact O-N 2.92Å |
| 112 | H | 90 | Very high | 88.3 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 29% | 0.292 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -34.9 | 177.8 | -61.4 | -37.9 | 0 | 0 | 0 | 112.8 | I108 E109 E110 Y116 V162 | I108-H112 HydrophobicContact CG2-CB 4.28Å; E109-H112 PolarHBondContact O-N 2.91Å; E110-H112 PolarHBondContact O-N 3.18Å; H112-Y116 WeakPolarHBondContact O-CB 3.26Å; H112-Y116 PolarHBondContact O-N 2.75Å; H112-V162 HydrophobicContact CB-CG1 4.29Å |
| 113 | L | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.8 | -47 | 173.1 | -58 | -177.8 | 0 | 0 | 0 | 110.4 | I101 L104 I108 E109 E110 Q111 Y116 F117 V128 V143 V162 | I101-L113 HydrophobicContact CD1-CD1 4Å; I101-L113 HydrophobicContact CD1-CD2 4.2Å; I101-L113 HydrophobicContact CD1-CG 4.48Å; I101-L113 HydrophobicContact CG2-CD2 4.44Å; L104-L113 HydrophobicContact CD1-CD1 3.96Å; L104-L113 HydrophobicContact CD2-CD2 3.79Å; I108-L113 HydrophobicContact CG2-CD2 3.84Å; I108-L113 HydrophobicContact CG2-CG 4.23Å; E109-L113 PolarHBondContact O-N 2.85Å; E110-L113 PolarHBondContact O-N 2.84Å; Q111-L113 VanDerWaalsContact C-N 3.26Å; Q111-L113 PolarHBondContact O-N 3.34Å; L113-Y116 PolarHBondContact O-N 2.85Å; L113-F117 HydrophobicContact CB-CD2 4.24Å; L113-F117 HydrophobicContact CD2-CE2 4.21Å; L113-F117 VanDerWaalsContact O-CB 3.27Å; L113-F117 WeakPolarHBondContact O-CB 3.38Å; L113-F117 WeakPolarHBondContact O-CD2 3.45Å; L113-F117 PolarHBondContact O-N 2.97Å; L113-V128 HydrophobicContact CD1-CG2 3.7Å; L113-V143 HydrophobicContact CB-CG2 3.95Å; L113-V143 HydrophobicContact CD1-CG2 4.42Å; L113-V162 HydrophobicContact CD2-CG1 4.34Å |
| 114 | T | 91.2 | Very high | 88.6 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 27% | 0.27 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 179.3 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | E110 Q111 Y116 F117 S118 V123 S126 | E110-T114 PolarHBondContact O-N 2.68Å; E110-T114 PolarHBondContact O-OG1 2.84Å; Q111-T114 PolarHBondContact O-N 2.59Å; T114-Y116 PolarHBondContact O-N 2.91Å; T114-F117 PolarHBondContact O-N 2.76Å; T114-S118 VanDerWaalsContact O-CB 3.23Å; T114-S118 WeakPolarHBondContact O-CB 3.36Å; T114-S118 PolarHBondContact O-N 3.14Å; T114-V123 HydrophobicContact CG2-CB 4.14Å; T114-V123 HydrophobicContact CG2-CG1 4.08Å; T114-S126 WeakPolarHBondContact OG1-CB 3.35Å; T114-S126 PolarHBondContact OG1-OG 3.27Å |
| 115 | D | 90.9 | Very high | 88.7 | Confident | 109 Ų | 109 | 73.7 Ų | 73.7 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61 | -47 | 179.9 | -65.2 | -21.9 | 0 | 0 | 0 | 111.1 | Q111 S118 | Q111-D115 WeakPolarHBondContact O-CB 3.47Å; Q111-D115 VanDerWaalsContact O-CG 3.25Å; Q111-D115 PolarHBondContact O-N 2.92Å; D115-S118 PolarHBondContact O-OG 3.47Å |
| 116 | Y | 90.6 | Very high | 88.9 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.1 | -42.6 | -179.9 | -175.9 | -93.5 | 0 | 0 | 0 | 112.6 | H112 L113 T114 S118 Q119 Y120 H160 T161 V162 | H112-Y116 WeakPolarHBondContact O-CB 3.26Å; H112-Y116 PolarHBondContact O-N 2.75Å; L113-Y116 PolarHBondContact O-N 2.85Å; T114-Y116 PolarHBondContact O-N 2.91Å; Y116-S118 VanDerWaalsContact C-N 3.33Å; Y116-Q119 WeakPolarHBondContact O-CG 3.49Å; Y116-Q119 PolarHBondContact O-NE2 3.38Å; Y116-Y120 HydrophobicContact CD1-CE2 4.42Å; Y116-Y120 AromaticContact CE1-CE2 3.99Å; Y116-Y120 HydrophobicContact CE1-CE2 3.99Å; Y116-H160 HydrophobicContact CE1-CB 3.64Å; Y116-H160 AromaticContact CE1-CG 3.81Å; Y116-H160 AromaticContact CE1-ND1 3.51Å; Y116-H160 AromaticContact CZ-ND1 3.88Å; Y116-H160 WeakPolarHBondContact OH-CB 3.4Å; Y116-H160 PolarHBondContact OH-ND1 3.39Å; Y116-T161 WeakPolarHBondContact CE2-O 3.38Å; Y116-V162 HydrophobicContact CD1-CG2 3.54Å; Y116-V162 HydrophobicContact CD2-CG2 4.19Å; Y116-V162 HydrophobicContact CE1-CG2 3.83Å; Y116-V162 HydrophobicContact CE2-CG2 4.44Å; Y116-V162 HydrophobicContact CG-CG1 4.43Å; Y116-V162 HydrophobicContact CG-CG2 3.71Å |
| 117 | F | 90.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -80.1 | -16.2 | -177.5 | -75.5 | -72.2 | 0 | 0 | 0 | 113.3 | I99 I101 L113 T114 Q119 Y120 V123 V143 F145 A154 V169 | I99-F117 HydrophobicContact CD1-CD1 3.77Å; I99-F117 HydrophobicContact CD1-CD2 4.49Å; I99-F117 HydrophobicContact CD1-CE1 3.72Å; I99-F117 HydrophobicContact CD1-CE2 4.48Å; I99-F117 HydrophobicContact CD1-CG 4.19Å; I99-F117 HydrophobicContact CD1-CZ 4.11Å; I101-F117 HydrophobicContact CD1-CD2 3.88Å; I101-F117 HydrophobicContact CD1-CE2 3.36Å; I101-F117 HydrophobicContact CD1-CZ 3.95Å; I101-F117 HydrophobicContact CG1-CE2 3.96Å; I101-F117 HydrophobicContact CG1-CZ 4.04Å; L113-F117 HydrophobicContact CB-CD2 4.24Å; L113-F117 HydrophobicContact CD2-CE2 4.21Å; L113-F117 VanDerWaalsContact O-CB 3.27Å; L113-F117 WeakPolarHBondContact O-CB 3.38Å; L113-F117 WeakPolarHBondContact O-CD2 3.45Å; L113-F117 PolarHBondContact O-N 2.97Å; T114-F117 PolarHBondContact O-N 2.76Å; F117-Q119 PolarHBondContact O-N 3.34Å; F117-Q119 VanDerWaalsContact O-N 3.13Å; F117-Y120 AromaticContact CD1-CD2 3.88Å; F117-Y120 HydrophobicContact CD1-CD2 3.88Å; F117-Y120 HydrophobicContact CD1-CE2 4.17Å; F117-Y120 HydrophobicContact CE1-CE2 4.48Å; F117-Y120 PolarHBondContact O-N 3.41Å; F117-V123 HydrophobicContact CB-CG2 4.11Å; F117-V143 HydrophobicContact CB-CG1 4.34Å; F117-V143 HydrophobicContact CD2-CG2 4.15Å; F117-F145 HydrophobicContact CB-CE1 4.09Å; F117-F145 HydrophobicContact CB-CZ 3.85Å; F117-F145 HydrophobicContact CD1-CZ 4.17Å; F117-F145 HydrophobicContact CG-CZ 4.29Å; F117-A154 HydrophobicContact CD1-CB 4.14Å; F117-A154 HydrophobicContact CE1-CB 4.15Å; F117-V169 HydrophobicContact CE1-CG1 4.48Å; F117-V169 HydrophobicContact CE1-CG2 3.95Å; F117-V169 HydrophobicContact CZ-CG2 3.6Å |
| 118 | S | 90 | Very high | 89.4 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.7 | 172.9 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | T114 D115 Y116 Y120 G121 | T114-S118 VanDerWaalsContact O-CB 3.23Å; T114-S118 WeakPolarHBondContact O-CB 3.36Å; T114-S118 PolarHBondContact O-N 3.14Å; D115-S118 PolarHBondContact O-OG 3.47Å; Y116-S118 VanDerWaalsContact C-N 3.33Å; S118-Y120 VanDerWaalsContact C-N 3.25Å; S118-Y120 PolarHBondContact O-N 3.03Å; S118-G121 WeakPolarHBondContact CA-O 3.46Å; S118-G121 PolarHBondContact O-N 2.89Å |
| 119 | Q | 88.5 | Confident | 89.4 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.9 | 176.6 | 81 | -170.9 | -58.5 | 0 | 0 | 113.4 | Y116 F117 | Y116-Q119 WeakPolarHBondContact O-CG 3.49Å; Y116-Q119 PolarHBondContact O-NE2 3.38Å; F117-Q119 PolarHBondContact O-N 3.34Å; F117-Q119 VanDerWaalsContact O-N 3.13Å |
| 120 | Y | 86.4 | Confident | 89.1 | Confident | 44 Ų | 44 | 64.1 Ų | 64.1 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -21.5 | 179 | -59.3 | -80.8 | 0 | 0 | 0 | 112 | Y116 F117 S118 K153 A154 H160 | Y116-Y120 HydrophobicContact CD1-CE2 4.42Å; Y116-Y120 AromaticContact CE1-CE2 3.99Å; Y116-Y120 HydrophobicContact CE1-CE2 3.99Å; F117-Y120 AromaticContact CD1-CD2 3.88Å; F117-Y120 HydrophobicContact CD1-CD2 3.88Å; F117-Y120 HydrophobicContact CD1-CE2 4.17Å; F117-Y120 HydrophobicContact CE1-CE2 4.48Å; F117-Y120 PolarHBondContact O-N 3.41Å; S118-Y120 VanDerWaalsContact C-N 3.25Å; S118-Y120 PolarHBondContact O-N 3.03Å; Y120-K153 HydrophobicContact CD1-CB 4.16Å; Y120-A154 HydrophobicContact CD2-CB 4.44Å; Y120-A154 HydrophobicContact CG-CB 4.31Å; Y120-H160 AromaticContact CE2-CE1 3.79Å; Y120-H160 AromaticContact CE2-ND1 3.95Å; Y120-H160 AromaticContact CZ-CE1 3.43Å; Y120-H160 VanDerWaalsContact CZ-CE1 3.43Å; Y120-H160 AromaticContact CZ-ND1 3.69Å; Y120-H160 PolarHBondContact OH-CE1 2.68Å; Y120-H160 VanDerWaalsContact OH-CE1 3.23Å; Y120-H160 PolarHBondContact OH-ND1 3.4Å; Y120-H160 VanDerWaalsContact OH-ND1 3.09Å |
| 121 | G | 87.2 | Confident | 88.6 | Confident | 19 Ų | 19 | 64 Ų | 64 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 160.6 | 179.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S118 V123 | S118-G121 WeakPolarHBondContact CA-O 3.46Å; S118-G121 PolarHBondContact O-N 2.89Å; G121-V123 PolarHBondContact O-N 3.5Å |
| 122 | Q | 90.2 | Very high | 87.7 | Confident | 141 Ų | 141 | 67.7 Ų | 67.7 | 66% | 0.659 | 34% | 0.338 | S | S | * | . | trans | -68.1 | 119 | -174.3 | -172.3 | 177.4 | 32.8 | 0 | 0 | 111.9 | F145 T146 | Q122-F145 WeakPolarHBondContact O-CA 2.97Å; Q122-T146 HydrophobicContact CB-CG2 4.25Å; Q122-T146 HydrophobicContact CG-CG2 3.92Å; Q122-T146 PolarHBondContact O-N 3.42Å; Q122-T146 PolarHBondContact O-OG1 3.49Å | ||
| 123 | V | 92.6 | Very high | 86.7 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.8 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 109 | T114 F117 G121 V143 F145 | T114-V123 HydrophobicContact CG2-CB 4.14Å; T114-V123 HydrophobicContact CG2-CG1 4.08Å; F117-V123 HydrophobicContact CB-CG2 4.11Å; G121-V123 PolarHBondContact O-N 3.5Å; V123-V143 HydrophobicContact CG1-CG1 3.82Å; V123-V143 HydrophobicContact CG2-CG1 3.96Å; V123-F145 HydrophobicContact CG2-CD1 3.91Å; V123-F145 HydrophobicContact CG2-CE1 3.66Å |
| 124 | E | 91.9 | Very high | 85.9 | Confident | 139 Ų | 139 | 77.1 Ų | 77.1 | 65% | 0.65 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -43 | 173.6 | -173.1 | -179.6 | 165.2 | 0 | 0 | 110.8 | Y144 T146 | E124-Y144 PolarHBondContact N-O 2.86Å; E124-T146 HydrophobicContact CB-CG2 4.1Å |
| 125 | K | 89 | Confident | 84.7 | Confident | 111 Ų | 111 | 77.6 Ų | 77.6 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 147.1 | -177.8 | -168.5 | -179.5 | -175.8 | -169.2 | 0 | 111.5 | E127 Y144 | K125-E127 HydrophobicContact CD-CG 4.24Å; K125-E127 VanDerWaalsContact CE-OE1 3.26Å; K125-E127 WeakPolarHBondContact CE-OE1 3.34Å; K125-E127 HydrophobicContact CG-CG 4.43Å; K125-E127 IonicContact NZ-OE1 2.83Å; K125-E127 PolarHBondContact NZ-OE1 3.24Å; K125-Y144 HydrophobicContact CB-CD2 4.05Å; K125-Y144 HydrophobicContact CB-CG 4.43Å; K125-Y144 HydrophobicContact CG-CD2 4.49Å; K125-Y144 PolarHBondContact N-O 2.78Å; K125-Y144 WeakPolarHBondContact O-CD2 2.98Å; K125-Y144 PolarHBondContact O-N 2.75Å |
| 126 | S | 90.4 | Very high | 83.9 | Confident | 11 Ų | 11 | 79 Ų | 79 | 8% | 0.077 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.5 | 165.3 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | E110 T114 F142 | E110-S126 WeakPolarHBondContact CB-OG 3.3Å; E110-S126 PolarHBondContact O-OG 3.11Å; E110-S126 VanDerWaalsContact O-OG 3.07Å; T114-S126 WeakPolarHBondContact OG1-CB 3.35Å; T114-S126 PolarHBondContact OG1-OG 3.27Å; S126-F142 CarbonylContact C-O 3.48Å; S126-F142 WeakPolarHBondContact CA-O 3.31Å |
| 127 | E | 88.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 121.6 | 177.3 | -69.1 | 178.9 | 168.9 | 0 | 0 | 109.4 | E110 K125 G141 F142 Y144 | E110-E127 WeakPolarHBondContact OE1-CA 3.48Å; K125-E127 HydrophobicContact CD-CG 4.24Å; K125-E127 VanDerWaalsContact CE-OE1 3.26Å; K125-E127 WeakPolarHBondContact CE-OE1 3.34Å; K125-E127 HydrophobicContact CG-CG 4.43Å; K125-E127 IonicContact NZ-OE1 2.83Å; K125-E127 PolarHBondContact NZ-OE1 3.24Å; E127-G141 CarbonylContact O-C 3.55Å; E127-G141 WeakPolarHBondContact O-CA 3.44Å; E127-F142 PolarHBondContact N-O 2.99Å; E127-F142 PolarHBondContact O-N 3.1Å; E127-Y144 HydrophobicContact CB-CE2 4.47Å; E127-Y144 HydrophobicContact CG-CE2 3.98Å; E127-Y144 WeakPolarHBondContact OE2-CE2 3.47Å; E127-Y144 PolarHBondContact OE2-OH 3.24Å |
| 128 | V | 88.4 | Confident | 82.5 | Confident | 20 Ų | 20 | 86.1 Ų | 86.1 | 12% | 0.121 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.1 | 172.4 | 175.5 | 0 | 0 | 0 | 0 | 109 | L104 E110 L113 S130 K137 | L104-V128 HydrophobicContact CD1-CG1 4.26Å; L104-V128 HydrophobicContact CD1-CG2 4.09Å; E110-V128 HydrophobicContact CB-CG2 4.5Å; E110-V128 HydrophobicContact CG-CB 3.93Å; E110-V128 HydrophobicContact CG-CG2 3.59Å; E110-V128 PolarHBondContact OE1-N 3.09Å; L113-V128 HydrophobicContact CD1-CG2 3.7Å; V128-S130 PolarHBondContact O-N 2.99Å; V128-K137 HydrophobicContact CG1-CD 4.01Å |
| 129 | I | 85.3 | Confident | 82.2 | Confident | 50 Ų | 50 | 83.8 Ų | 83.8 | 26% | 0.256 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 113.3 | -175.1 | -53.8 | -57.7 | 0 | 0 | 0 | 109.8 | R138 F140 F142 | I129-R138 WeakPolarHBondContact O-CB 3.3Å; I129-R138 PolarHBondContact O-N 3.23Å; I129-F140 HydrophobicContact CB-CD2 4.08Å; I129-F140 HydrophobicContact CB-CE2 3.61Å; I129-F140 HydrophobicContact CB-CZ 3.93Å; I129-F140 HydrophobicContact CG1-CD2 4.08Å; I129-F140 HydrophobicContact CG1-CE2 3.63Å; I129-F140 HydrophobicContact CG1-CZ 4.37Å; I129-F140 HydrophobicContact CG2-CE2 3.93Å; I129-F140 HydrophobicContact CG2-CZ 3.8Å; I129-F140 PolarHBondContact N-O 3.4Å; I129-F142 HydrophobicContact CD1-CD2 4.27Å; I129-F142 HydrophobicContact CD1-CE2 4.44Å; I129-F142 HydrophobicContact CG1-CD2 3.94Å; I129-F142 HydrophobicContact CG1-CE2 3.89Å |
| 130 | S | 81.7 | Confident | 82.2 | Confident | 61 Ų | 61 | 80 Ų | 80 | 43% | 0.427 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 155.7 | 170.5 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | V128 | V128-S130 PolarHBondContact O-N 2.99Å |
| 131 | E | 78.3 | Confident | 82.5 | Confident | 83 Ų | 83 | 78 Ų | 78 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | trans | -73 | 123 | 174.4 | -176.2 | 165.9 | -124.9 | 0 | 0 | 109.2 | E133 T134 G135 K136 R138 | E131-E133 PolarHBondContact O-N 2.87Å; E131-T134 WeakPolarHBondContact OE2-CG2 3.49Å; E131-T134 PolarHBondContact OE2-OG1 3.35Å; E131-G135 VanDerWaalsContact O-CA 3.28Å; E131-G135 WeakPolarHBondContact O-CA 3.47Å; E131-G135 PolarHBondContact O-N 3.46Å; E131-K136 WeakPolarHBondContact CB-O 3.29Å; E131-K136 PolarHBondContact N-O 2.92Å; E131-R138 HydrophobicContact CB-CG 4.06Å | ||
| 132 | K | 69.3 | Low | 82.7 | Confident | 209 Ų | 209 | 78.5 Ų | 78.5 | 91% | 0.909 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22.1 | -173.4 | -68 | -173.5 | 176.2 | -171.7 | 0 | 113.9 | ||
| 133 | E | 70.2 | Confident | 82.8 | Confident | 183 Ų | 183 | 71.8 Ų | 71.8 | 86% | 0.855 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -36.5 | -175.5 | -63 | -174.3 | 168.9 | 0 | 0 | 112.8 | E131 | E131-E133 PolarHBondContact O-N 2.87Š|
| 134 | T | 72.3 | Confident | 82.8 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -10.7 | -174.6 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | E131 K136 | E131-T134 WeakPolarHBondContact OE2-CG2 3.49Å; E131-T134 PolarHBondContact OE2-OG1 3.35Å; T134-K136 PolarHBondContact O-N 2.9Å; T134-K136 VanDerWaalsContact O-N 3.11Å; T134-K136 WeakPolarHBondContact OG1-CB 3.49Å; T134-K136 PolarHBondContact OG1-N 3.22Å |
| 135 | G | 67.1 | Low | 82.8 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | trans | 68.3 | -2.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E131 | E131-G135 VanDerWaalsContact O-CA 3.28Å; E131-G135 WeakPolarHBondContact O-CA 3.47Å; E131-G135 PolarHBondContact O-N 3.46Å | ||
| 136 | K | 74 | Confident | 82.9 | Confident | 139 Ų | 139 | 64 Ų | 64 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | trans | -70.6 | 137.5 | -179.2 | -68.9 | -173.8 | 175.6 | -176.6 | 0 | 110.4 | E131 T134 R138 | E131-K136 WeakPolarHBondContact CB-O 3.29Å; E131-K136 PolarHBondContact N-O 2.92Å; T134-K136 PolarHBondContact O-N 2.9Å; T134-K136 VanDerWaalsContact O-N 3.11Å; T134-K136 WeakPolarHBondContact OG1-CB 3.49Å; T134-K136 PolarHBondContact OG1-N 3.22Å; K136-R138 PolarHBondContact O-N 3.19Å | ||
| 137 | K | 75.7 | Confident | 82.8 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133 | 178.6 | -57 | -169.6 | -174.6 | 166.7 | 0 | 107.8 | D106 I108 V128 G139 | D106-K137 VanDerWaalsContact O-CE 3.25Å; D106-K137 WeakPolarHBondContact O-CE 3.36Å; D106-K137 PolarHBondContact O-NZ 2.81Å; D106-K137 WeakPolarHBondContact OD1-CB 3.42Å; D106-K137 PolarHBondContact OD1-N 2.83Å; I108-K137 PolarHBondContact O-NZ 3.28Å; V128-K137 HydrophobicContact CG1-CD 4.01Å; K137-G139 PolarHBondContact O-N 3.5Å |
| 138 | R | 75.1 | Confident | 82.8 | Confident | 155 Ų | 155 | 64.1 Ų | 64.1 | 59% | 0.585 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 3.9 | 179.7 | -63.7 | -174.9 | 67.1 | -172.7 | -3.6 | 112.9 | I129 E131 K136 F140 | I129-R138 WeakPolarHBondContact O-CB 3.3Å; I129-R138 PolarHBondContact O-N 3.23Å; E131-R138 HydrophobicContact CB-CG 4.06Å; K136-R138 PolarHBondContact O-N 3.19Å; R138-F140 VanDerWaalsContact C-N 3.3Å; R138-F140 HydrophobicContact CB-CD1 3.64Å; R138-F140 HydrophobicContact CB-CE1 3.34Å; R138-F140 HydrophobicContact CB-CZ 4.23Å; R138-F140 HydrophobicContact CG-CE1 4.2Å; R138-F140 WeakPolarHBondContact O-CD1 3.42Å; R138-F140 PolarHBondContact O-N 2.83Å |
| 139 | G | 83.7 | Confident | 82.8 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 19% | 0.186 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.4 | 23.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G103 L104 K137 | G103-G139 PolarHBondContact N-O 2.95Å; L104-G139 PolarHBondContact N-O 2.81Å; L104-G139 WeakPolarHBondContact O-CA 3.43Å; K137-G139 PolarHBondContact O-N 3.5Å |
| 140 | F | 89.7 | Confident | 83 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158 | 172.1 | 70.3 | -91.3 | 0 | 0 | 0 | 112.6 | F100 I101 I129 R138 F142 | F100-F140 HydrophobicContact CD2-CD2 4.33Å; F100-F140 HydrophobicContact CE2-CB 3.59Å; F100-F140 AromaticContact CE2-CD2 3.63Å; F100-F140 HydrophobicContact CE2-CD2 3.63Å; F100-F140 HydrophobicContact CE2-CE2 4.49Å; F100-F140 AromaticContact CE2-CG 3.76Å; F100-F140 HydrophobicContact CE2-CG 3.76Å; F100-F140 HydrophobicContact CZ-CB 3.68Å; F100-F140 HydrophobicContact CZ-CG 4.2Å; I101-F140 CarbonylContact O-C 3.53Å; I101-F140 WeakPolarHBondContact O-CA 3.43Å; I101-F140 WeakPolarHBondContact O-CB 2.82Å; I129-F140 HydrophobicContact CB-CD2 4.08Å; I129-F140 HydrophobicContact CB-CE2 3.61Å; I129-F140 HydrophobicContact CB-CZ 3.93Å; I129-F140 HydrophobicContact CG1-CD2 4.08Å; I129-F140 HydrophobicContact CG1-CE2 3.63Å; I129-F140 HydrophobicContact CG1-CZ 4.37Å; I129-F140 HydrophobicContact CG2-CE2 3.93Å; I129-F140 HydrophobicContact CG2-CZ 3.8Å; I129-F140 PolarHBondContact N-O 3.4Å; R138-F140 VanDerWaalsContact C-N 3.3Å; R138-F140 HydrophobicContact CB-CD1 3.64Å; R138-F140 HydrophobicContact CB-CE1 3.34Å; R138-F140 HydrophobicContact CB-CZ 4.23Å; R138-F140 HydrophobicContact CG-CE1 4.2Å; R138-F140 WeakPolarHBondContact O-CD1 3.42Å; R138-F140 PolarHBondContact O-N 2.83Å; F140-F142 HydrophobicContact CD2-CE2 4.15Å; F140-F142 HydrophobicContact CD2-CZ 4.43Å; F140-F142 AromaticContact CE2-CE2 3.95Å; F140-F142 HydrophobicContact CE2-CE2 3.95Å; F140-F142 HydrophobicContact CE2-CZ 4.32Å |
| 141 | G | 91 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I101 E127 | I101-G141 PolarHBondContact N-O 2.98Å; I101-G141 PolarHBondContact O-N 2.91Å; E127-G141 CarbonylContact O-C 3.55Å; E127-G141 WeakPolarHBondContact O-CA 3.44Å |
| 142 | F | 92.2 | Very high | 83.7 | Confident | 31 Ų | 31 | 55 Ų | 55 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.2 | 177.8 | -62.6 | -78.3 | 0 | 0 | 0 | 110.2 | K98 I99 F100 S126 E127 I129 F140 Y144 A172 | K98-F142 HydrophobicContact CD-CD1 4.24Å; K98-F142 HydrophobicContact CG-CB 4.44Å; K98-F142 HydrophobicContact CG-CD1 4.34Å; I99-F142 VanDerWaalsContact O-CA 3.24Å; I99-F142 WeakPolarHBondContact O-CA 3.37Å; F100-F142 HydrophobicContact CB-CD1 4.19Å; F100-F142 HydrophobicContact CB-CE1 4.01Å; F100-F142 HydrophobicContact CD2-CD1 4.28Å; F100-F142 AromaticContact CD2-CE1 3.63Å; F100-F142 HydrophobicContact CD2-CE1 3.63Å; F100-F142 AromaticContact CD2-CZ 3.95Å; F100-F142 HydrophobicContact CD2-CZ 3.95Å; F100-F142 HydrophobicContact CG-CE1 4.32Å; S126-F142 CarbonylContact C-O 3.48Å; S126-F142 WeakPolarHBondContact CA-O 3.31Å; E127-F142 PolarHBondContact N-O 2.99Å; E127-F142 PolarHBondContact O-N 3.1Å; I129-F142 HydrophobicContact CD1-CD2 4.27Å; I129-F142 HydrophobicContact CD1-CE2 4.44Å; I129-F142 HydrophobicContact CG1-CD2 3.94Å; I129-F142 HydrophobicContact CG1-CE2 3.89Å; F140-F142 HydrophobicContact CD2-CE2 4.15Å; F140-F142 HydrophobicContact CD2-CZ 4.43Å; F140-F142 AromaticContact CE2-CE2 3.95Å; F140-F142 HydrophobicContact CE2-CE2 3.95Å; F140-F142 HydrophobicContact CE2-CZ 4.32Å; F142-Y144 HydrophobicContact CB-CE2 4.16Å; F142-A172 HydrophobicContact CD1-CB 3.95Å; F142-A172 HydrophobicContact CE1-CB 4.01Å |
| 143 | V | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.3 | 170.3 | 168 | 0 | 0 | 0 | 0 | 108.1 | K98 I99 I101 L113 F117 V123 F145 | K98-V143 CarbonylContact C-O 3.54Å; K98-V143 WeakPolarHBondContact CA-O 3.46Å; I99-V143 HydrophobicContact CD1-CB 3.97Å; I99-V143 HydrophobicContact CD1-CG1 4.39Å; I99-V143 HydrophobicContact CG1-CB 3.67Å; I99-V143 HydrophobicContact CG1-CG1 4.3Å; I99-V143 PolarHBondContact N-O 2.73Å; I99-V143 PolarHBondContact O-N 2.95Å; I101-V143 HydrophobicContact CD1-CB 3.98Å; I101-V143 HydrophobicContact CD1-CG2 3.36Å; L113-V143 HydrophobicContact CB-CG2 3.95Å; L113-V143 HydrophobicContact CD1-CG2 4.42Å; F117-V143 HydrophobicContact CB-CG1 4.34Å; F117-V143 HydrophobicContact CD2-CG2 4.15Å; V123-V143 HydrophobicContact CG1-CG1 3.82Å; V123-V143 HydrophobicContact CG2-CG1 3.96Å; V143-F145 HydrophobicContact CG1-CD2 4.27Å; V143-F145 HydrophobicContact CG1-CE1 4.23Å; V143-F145 HydrophobicContact CG1-CE2 3.92Å; V143-F145 HydrophobicContact CG1-CZ 3.91Å |
| 144 | Y | 91.9 | Very high | 85.3 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.6 | 177.8 | -58.6 | -101.8 | 0 | 0 | 0 | 107.1 | K98 E124 K125 E127 F142 | K98-Y144 HydrophobicContact CB-CD1 4.22Å; K98-Y144 HydrophobicContact CB-CE1 4.42Å; K98-Y144 HydrophobicContact CD-CD1 4.19Å; K98-Y144 HydrophobicContact CD-CE1 3.56Å; K98-Y144 WeakPolarHBondContact CE-OH 3.49Å; K98-Y144 HydrophobicContact CG-CD1 3.99Å; K98-Y144 HydrophobicContact CG-CE1 3.86Å; K98-Y144 HydrophobicContact CG-CG 4.48Å; K98-Y144 PolarHBondContact NZ-OH 3.1Å; E124-Y144 PolarHBondContact N-O 2.86Å; K125-Y144 HydrophobicContact CB-CD2 4.05Å; K125-Y144 HydrophobicContact CB-CG 4.43Å; K125-Y144 HydrophobicContact CG-CD2 4.49Å; K125-Y144 PolarHBondContact N-O 2.78Å; K125-Y144 WeakPolarHBondContact O-CD2 2.98Å; K125-Y144 PolarHBondContact O-N 2.75Å; E127-Y144 HydrophobicContact CB-CE2 4.47Å; E127-Y144 HydrophobicContact CG-CE2 3.98Å; E127-Y144 WeakPolarHBondContact OE2-CE2 3.47Å; E127-Y144 PolarHBondContact OE2-OH 3.24Å; F142-Y144 HydrophobicContact CB-CE2 4.16Å |
| 145 | F | 93 | Very high | 86 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 155.9 | 173.9 | -66.3 | -81.1 | 0 | 0 | 0 | 110.6 | K97 I99 F117 Q122 V123 V143 D147 A151 A154 | K97-F145 WeakPolarHBondContact CB-O 3.24Å; K97-F145 PolarHBondContact O-N 3.46Å; I99-F145 HydrophobicContact CB-CE2 4.47Å; I99-F145 HydrophobicContact CD1-CE2 3.56Å; I99-F145 HydrophobicContact CD1-CZ 3.98Å; I99-F145 HydrophobicContact CG1-CD2 4.46Å; I99-F145 HydrophobicContact CG1-CE2 3.72Å; I99-F145 HydrophobicContact CG2-CD2 4.4Å; I99-F145 HydrophobicContact CG2-CE2 3.94Å; F117-F145 HydrophobicContact CB-CE1 4.09Å; F117-F145 HydrophobicContact CB-CZ 3.85Å; F117-F145 HydrophobicContact CD1-CZ 4.17Å; F117-F145 HydrophobicContact CG-CZ 4.29Å; Q122-F145 WeakPolarHBondContact O-CA 2.97Å; V123-F145 HydrophobicContact CG2-CD1 3.91Å; V123-F145 HydrophobicContact CG2-CE1 3.66Å; V143-F145 HydrophobicContact CG1-CD2 4.27Å; V143-F145 HydrophobicContact CG1-CE1 4.23Å; V143-F145 HydrophobicContact CG1-CE2 3.92Å; V143-F145 HydrophobicContact CG1-CZ 3.91Å; F145-D147 VanDerWaalsContact C-N 3.26Å; F145-D147 VanDerWaalsContact CB-O 3.24Å; F145-D147 WeakPolarHBondContact CB-O 3.24Å; F145-D147 PolarHBondContact O-N 3.38Å; F145-A151 HydrophobicContact CD2-CB 3.95Å; F145-A151 HydrophobicContact CE2-CB 4.37Å; F145-A154 HydrophobicContact CZ-CB 4.43Å |
| 146 | T | 90.7 | Very high | 86.7 | Confident | 51 Ų | 51 | 34.4 Ų | 34.4 | 31% | 0.313 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -67.8 | -32.7 | 171.9 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | K97 Q122 E124 | K97-T146 WeakPolarHBondContact CE-O 3.46Å; K97-T146 PolarHBondContact NZ-O 3.49Å; Q122-T146 HydrophobicContact CB-CG2 4.25Å; Q122-T146 HydrophobicContact CG-CG2 3.92Å; Q122-T146 PolarHBondContact O-N 3.42Å; Q122-T146 PolarHBondContact O-OG1 3.49Å; E124-T146 HydrophobicContact CB-CG2 4.1Å |
| 147 | D | 88.7 | Confident | 87.2 | Confident | 48 Ų | 48 | 30.6 Ų | 30.6 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -122.5 | 146.3 | 179.2 | -167.8 | 26.5 | 0 | 0 | 0 | 113.3 | R67 F145 D149 S150 | R67-D147 IonicContact CZ-OD2 3.37Å; R67-D147 IonicContact NH2-OD1 3.51Å; R67-D147 IonicContact NH2-OD2 3.46Å; R67-D147 PolarHBondContact NH2-OD2 2.75Å; F145-D147 VanDerWaalsContact C-N 3.26Å; F145-D147 VanDerWaalsContact CB-O 3.24Å; F145-D147 WeakPolarHBondContact CB-O 3.24Å; F145-D147 PolarHBondContact O-N 3.38Å; D147-D149 VanDerWaalsContact C-N 3.33Å; D147-D149 VanDerWaalsContact OD2-CB 3.24Å; D147-D149 WeakPolarHBondContact OD2-CB 3.08Å; D147-D149 PolarHBondContact OD2-N 3.02Å; D147-S150 PolarHBondContact O-N 2.88Å |
| 148 | H | 87.9 | Confident | 87.5 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 6% | 0.06 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.3 | -25.3 | 175.9 | 68.1 | -53.4 | 0 | 0 | 0 | 113.6 | R67 K95 K97 S150 A151 D152 | R67-H148 PolarHBondContact NH1-CE1 2.77Å; R67-H148 PolarHBondContact NH1-NE2 2.9Å; K95-H148 VanDerWaalsContact CE-NE2 3.32Å; K95-H148 WeakPolarHBondContact CE-NE2 3.26Å; K95-H148 HydrophobicContact CG-CB 4.3Å; K97-H148 HydrophobicContact CG-CB 4.33Å; H148-S150 VanDerWaalsContact C-N 3.28Å; H148-S150 PolarHBondContact O-N 2.88Å; H148-A151 WeakPolarHBondContact O-CB 3.39Å; H148-A151 PolarHBondContact O-N 2.76Å; H148-D152 PolarHBondContact O-N 3.45Å |
| 149 | D | 87.8 | Confident | 88.2 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -39 | 175.6 | -176.4 | 53.3 | 0 | 0 | 0 | 111 | M64 R80 D147 A151 D152 K153 | M64-D149 HydrophobicContact CE-CB 3.89Å; M64-D149 WeakPolarHBondContact CE-OD1 3.3Å; R80-D149 WeakPolarHBondContact CG-OD1 3.31Å; R80-D149 IonicContact CZ-OD1 2.61Å; R80-D149 IonicContact NE-OD1 3.1Å; R80-D149 PolarHBondContact NE-OD1 2.8Å; R80-D149 IonicContact NH2-OD1 2.73Å; R80-D149 PolarHBondContact NH2-OD1 2.9Å; R80-D149 IonicContact NH2-OD2 3.22Å; R80-D149 PolarHBondContact NH2-OD2 3.41Å; R80-D149 VanDerWaalsContact NH2-OD2 3.1Å; D147-D149 VanDerWaalsContact C-N 3.33Å; D147-D149 VanDerWaalsContact OD2-CB 3.24Å; D147-D149 WeakPolarHBondContact OD2-CB 3.08Å; D147-D149 PolarHBondContact OD2-N 3.02Å; D149-A151 VanDerWaalsContact C-N 3.29Å; D149-A151 PolarHBondContact O-N 2.95Å; D149-D152 WeakPolarHBondContact O-CB 3.38Å; D149-D152 PolarHBondContact O-N 2.76Å; D149-D152 VanDerWaalsContact O-N 3.14Å; D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 3.29Å; D149-K153 WeakPolarHBondContact OD2-CE 3.17Å; D149-K153 IonicContact OD2-NZ 2.76Å; D149-K153 PolarHBondContact OD2-NZ 3.21Å |
| 150 | S | 89.7 | Confident | 88.4 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.2 | -44.8 | 0 | 0 | 0 | 0 | 111.7 | D147 H148 A154 | D147-S150 PolarHBondContact O-N 2.88Å; H148-S150 VanDerWaalsContact C-N 3.28Å; H148-S150 PolarHBondContact O-N 2.88Å; S150-A154 WeakPolarHBondContact O-CB 3.37Å; S150-A154 PolarHBondContact O-N 3.18Å; S150-A154 VanDerWaalsContact O-N 3.09Å |
| 151 | A | 88.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V96 I99 F145 H148 D149 A154 V155 | V96-A151 VanDerWaalsContact O-CB 3.3Å; V96-A151 WeakPolarHBondContact O-CB 3.46Å; I99-A151 HydrophobicContact CG2-CB 3.62Å; F145-A151 HydrophobicContact CD2-CB 3.95Å; F145-A151 HydrophobicContact CE2-CB 4.37Å; H148-A151 WeakPolarHBondContact O-CB 3.39Å; H148-A151 PolarHBondContact O-N 2.76Å; D149-A151 VanDerWaalsContact C-N 3.29Å; D149-A151 PolarHBondContact O-N 2.95Å; A151-A154 PolarHBondContact O-N 2.81Å; A151-V155 WeakPolarHBondContact O-CG1 3.43Å; A151-V155 WeakPolarHBondContact O-CG2 3.43Å; A151-V155 PolarHBondContact O-N 3.2Å; A151-V155 VanDerWaalsContact O-N 3.08Å |
| 152 | D | 86.4 | Confident | 88.2 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 177 | -71.3 | -20.7 | 0 | 0 | 0 | 111.5 | R80 H148 D149 A154 V155 V156 K171 | R80-D152 HydrophobicContact CB-CB 3.9Å; R80-D152 HydrophobicContact CG-CB 3.66Å; H148-D152 PolarHBondContact O-N 3.45Å; D149-D152 WeakPolarHBondContact O-CB 3.38Å; D149-D152 PolarHBondContact O-N 2.76Å; D149-D152 VanDerWaalsContact O-N 3.14Å; D152-A154 PolarHBondContact O-N 3.11Å; D152-V155 WeakPolarHBondContact O-CG2 3.48Å; D152-V155 PolarHBondContact O-N 2.73Å; D152-V156 VanDerWaalsContact O-CG2 3.28Å; D152-V156 WeakPolarHBondContact O-CG2 3.22Å; D152-V156 PolarHBondContact O-N 3.3Å; D152-K171 WeakPolarHBondContact OD1-CE 3.38Å; D152-K171 IonicContact OD1-NZ 2.89Å; D152-K171 PolarHBondContact OD1-NZ 3.1Å |
| 153 | K | 86.3 | Confident | 87.7 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 176.2 | -74.6 | 178 | -176.7 | 175.6 | 0 | 112.2 | D61 Y120 D149 V155 V156 | D61-K153 VanDerWaalsContact CG-CE 3.49Å; D61-K153 WeakPolarHBondContact OD1-CE 3.24Å; D61-K153 IonicContact OD1-NZ 2.72Å; D61-K153 PolarHBondContact OD1-NZ 3.32Å; D61-K153 WeakPolarHBondContact OD2-CE 3.35Å; D61-K153 IonicContact OD2-NZ 3.42Å; D61-K153 PolarHBondContact OD2-NZ 3.27Å; Y120-K153 HydrophobicContact CD1-CB 4.16Å; D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 3.29Å; D149-K153 WeakPolarHBondContact OD2-CE 3.17Å; D149-K153 IonicContact OD2-NZ 2.76Å; D149-K153 PolarHBondContact OD2-NZ 3.21Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 2.72Å; K153-V156 WeakPolarHBondContact O-CB 3.24Å; K153-V156 PolarHBondContact O-N 3.34Å |
| 154 | A | 86.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I99 F117 Y120 F145 S150 A151 D152 V156 V157 H160 V169 | I99-A154 HydrophobicContact CD1-CB 4.21Å; F117-A154 HydrophobicContact CD1-CB 4.14Å; F117-A154 HydrophobicContact CE1-CB 4.15Å; Y120-A154 HydrophobicContact CD2-CB 4.44Å; Y120-A154 HydrophobicContact CG-CB 4.31Å; F145-A154 HydrophobicContact CZ-CB 4.43Å; S150-A154 WeakPolarHBondContact O-CB 3.37Å; S150-A154 PolarHBondContact O-N 3.18Å; S150-A154 VanDerWaalsContact O-N 3.09Å; A151-A154 PolarHBondContact O-N 2.81Å; D152-A154 PolarHBondContact O-N 3.11Å; A154-V156 VanDerWaalsContact C-N 3.3Å; A154-V156 PolarHBondContact O-N 3.47Å; A154-V157 PolarHBondContact O-N 3.26Å; A154-H160 PolarHBondContact O-CE1 2.71Å; A154-H160 PolarHBondContact O-NE2 3.47Å; A154-V169 HydrophobicContact CB-CG1 4.37Å |
| 155 | V | 86.6 | Confident | 87.1 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75.8 | -13.5 | -176.6 | -59.2 | 0 | 0 | 0 | 0 | 114.4 | I99 A151 D152 K153 V157 V169 K171 | I99-V155 HydrophobicContact CG2-CG1 4.08Å; A151-V155 WeakPolarHBondContact O-CG1 3.43Å; A151-V155 WeakPolarHBondContact O-CG2 3.43Å; A151-V155 PolarHBondContact O-N 3.2Å; A151-V155 VanDerWaalsContact O-N 3.08Å; D152-V155 WeakPolarHBondContact O-CG2 3.48Å; D152-V155 PolarHBondContact O-N 2.73Å; K153-V155 VanDerWaalsContact C-N 3.32Å; K153-V155 PolarHBondContact O-N 2.72Å; V155-V157 PolarHBondContact O-N 3.27Å; V155-V169 HydrophobicContact CG1-CG1 3.93Å; V155-K171 HydrophobicContact CB-CG 4.41Å; V155-K171 HydrophobicContact CG1-CG 3.84Å; V155-K171 HydrophobicContact CG2-CD 4.41Å; V155-K171 HydrophobicContact CG2-CG 4.03Å |
| 156 | V | 82.6 | Confident | 86.9 | Confident | 34 Ų | 34 | 43.3 Ų | 43.3 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.1 | -38.3 | 171 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | Q4 L5 D152 K153 A154 K158 | Q4-V156 HydrophobicContact CB-CG1 4.04Å; L5-V156 HydrophobicContact CD2-CB 3.77Å; L5-V156 HydrophobicContact CD2-CG1 3.72Å; L5-V156 HydrophobicContact CD2-CG2 3.82Å; L5-V156 HydrophobicContact CG-CG1 3.99Å; D152-V156 VanDerWaalsContact O-CG2 3.28Å; D152-V156 WeakPolarHBondContact O-CG2 3.22Å; D152-V156 PolarHBondContact O-N 3.3Å; K153-V156 WeakPolarHBondContact O-CB 3.24Å; K153-V156 PolarHBondContact O-N 3.34Å; A154-V156 VanDerWaalsContact C-N 3.3Å; A154-V156 PolarHBondContact O-N 3.47Å; V156-K158 PolarHBondContact O-N 3.04Å |
| 157 | V | 83.4 | Confident | 87 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 35% | 0.352 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -93.1 | 99.3 | 174.9 | -179 | 0 | 0 | 0 | 0 | 108.9 | A154 V155 F159 H160 | A154-V157 PolarHBondContact O-N 3.26Å; V155-V157 PolarHBondContact O-N 3.27Å; V157-F159 VanDerWaalsContact CG1-O 3.23Å; V157-F159 WeakPolarHBondContact CG1-O 3.19Å; V157-F159 PolarHBondContact O-N 2.87Å; V157-F159 VanDerWaalsContact O-N 3.13Å; V157-H160 PolarHBondContact O-CD2 2.68Å; V157-H160 PolarHBondContact O-NE2 2.64Å |
| 158 | K | 83.5 | Confident | 87.1 | Confident | 88 Ų | 88 | 41.5 Ų | 41.5 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -57.1 | -32.3 | -178.9 | -71.2 | 178.3 | 177.9 | 167 | 0 | 114.1 | D86 V156 E168 V169 | D86-K158 IonicContact OD1-NZ 2.71Å; D86-K158 PolarHBondContact OD1-NZ 3.44Å; D86-K158 WeakPolarHBondContact OD2-CE 3.38Å; D86-K158 IonicContact OD2-NZ 2.85Å; D86-K158 PolarHBondContact OD2-NZ 3.39Å; V156-K158 PolarHBondContact O-N 3.04Å; K158-E168 WeakPolarHBondContact O-CA 3.4Å; K158-V169 PolarHBondContact O-N 3.29Å |
| 159 | F | 88.3 | Confident | 87.2 | Confident | 106 Ų | 106 | 41.1 Ų | 41.1 | 47% | 0.465 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 120.8 | -176.6 | -61.3 | -75.2 | 0 | 0 | 0 | 111.3 | V157 K166 V167 E168 | V157-F159 VanDerWaalsContact CG1-O 3.23Å; V157-F159 WeakPolarHBondContact CG1-O 3.19Å; V157-F159 PolarHBondContact O-N 2.87Å; V157-F159 VanDerWaalsContact O-N 3.13Å; F159-K166 VanDerWaalsContact CB-CE 3.48Å; F159-K166 HydrophobicContact CB-CG 4.28Å; F159-K166 HydrophobicContact CD1-CD 4.39Å; F159-K166 HydrophobicContact CD1-CG 4.31Å; F159-V167 CarbonylContact C-O 3.58Å; F159-V167 VanDerWaalsContact CA-O 3.3Å; F159-V167 WeakPolarHBondContact CA-O 3.39Å; F159-E168 HydrophobicContact CD1-CB 4.16Å; F159-E168 HydrophobicContact CD1-CG 4.28Å; F159-E168 HydrophobicContact CE1-CB 4.08Å; F159-E168 HydrophobicContact CE1-CG 3.95Å |
| 160 | H | 88.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 159.8 | 175.2 | -63.8 | -101.3 | 0 | 0 | 0 | 110.4 | Y116 Y120 A154 V157 V162 K166 V167 V169 | Y116-H160 HydrophobicContact CE1-CB 3.64Å; Y116-H160 AromaticContact CE1-CG 3.81Å; Y116-H160 AromaticContact CE1-ND1 3.51Å; Y116-H160 AromaticContact CZ-ND1 3.88Å; Y116-H160 WeakPolarHBondContact OH-CB 3.4Å; Y116-H160 PolarHBondContact OH-ND1 3.39Å; Y120-H160 AromaticContact CE2-CE1 3.79Å; Y120-H160 AromaticContact CE2-ND1 3.95Å; Y120-H160 AromaticContact CZ-CE1 3.43Å; Y120-H160 VanDerWaalsContact CZ-CE1 3.43Å; Y120-H160 AromaticContact CZ-ND1 3.69Å; Y120-H160 PolarHBondContact OH-CE1 2.68Å; Y120-H160 VanDerWaalsContact OH-CE1 3.23Å; Y120-H160 PolarHBondContact OH-ND1 3.4Å; Y120-H160 VanDerWaalsContact OH-ND1 3.09Å; A154-H160 PolarHBondContact O-CE1 2.71Å; A154-H160 PolarHBondContact O-NE2 3.47Å; V157-H160 PolarHBondContact O-CD2 2.68Å; V157-H160 PolarHBondContact O-NE2 2.64Å; H160-V162 HydrophobicContact CB-CG2 4.49Å; H160-K166 CarbonylContact O-C 3.57Å; H160-K166 WeakPolarHBondContact O-CA 3.48Å; H160-V167 HydrophobicContact CB-CG2 3.83Å; H160-V167 PolarHBondContact N-O 2.99Å; H160-V167 PolarHBondContact O-N 3.42Å; H160-V169 WeakPolarHBondContact CD2-CG2 3.32Å |
| 161 | T | 88.4 | Confident | 87.2 | Confident | 88 Ų | 88 | 44.8 Ų | 44.8 | 54% | 0.54 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 103.5 | 172.9 | -55 | 0 | 0 | 0 | 0 | 108.2 | Y116 H165 | Y116-T161 WeakPolarHBondContact CE2-O 3.38Å; T161-H165 CarbonylContact C-O 3.55Å; T161-H165 WeakPolarHBondContact CA-O 3.4Å |
| 162 | V | 87.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | I108 H112 L113 Y116 H160 G164 H165 V167 | I108-V162 HydrophobicContact CG2-CG1 4.47Å; H112-V162 HydrophobicContact CB-CG1 4.29Å; L113-V162 HydrophobicContact CD2-CG1 4.34Å; Y116-V162 HydrophobicContact CD1-CG2 3.54Å; Y116-V162 HydrophobicContact CD2-CG2 4.19Å; Y116-V162 HydrophobicContact CE1-CG2 3.83Å; Y116-V162 HydrophobicContact CE2-CG2 4.44Å; Y116-V162 HydrophobicContact CG-CG1 4.43Å; Y116-V162 HydrophobicContact CG-CG2 3.71Å; H160-V162 HydrophobicContact CB-CG2 4.49Å; V162-G164 PolarHBondContact O-N 3.07Å; V162-H165 PolarHBondContact N-O 2.85Å; V162-H165 PolarHBondContact O-N 2.79Å; V162-V167 HydrophobicContact CB-CG1 4.38Å; V162-V167 HydrophobicContact CB-CG2 4.44Å; V162-V167 HydrophobicContact CG2-CG2 3.73Å |
| 163 | N | 83 | Confident | 86.5 | Confident | 89 Ų | 89 | 45.7 Ų | 45.7 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 35 | -178.2 | -156.1 | 39 | 0 | 0 | 0 | 114.2 | D107 H165 | D107-N163 PolarHBondContact OD2-ND2 2.8Å; N163-H165 PolarHBondContact O-N 3.49Å |
| 164 | G | 83.3 | Confident | 85.8 | Confident | 64 Ų | 64 | 48 Ų | 48 | 66% | 0.66 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 8.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V162 | V162-G164 PolarHBondContact O-N 3.07Š|
| 165 | H | 87.2 | Confident | 85 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 21% | 0.213 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.5 | 177.5 | -67.2 | -29 | 0 | 0 | 0 | 111.8 | D107 I108 T161 V162 N163 V167 | D107-H165 VanDerWaalsContact CG-CD2 3.49Å; D107-H165 IonicContact OD1-CD2 3.19Å; D107-H165 PolarHBondContact OD1-CD2 2.88Å; D107-H165 IonicContact OD1-NE2 3.38Å; D107-H165 PolarHBondContact OD1-NE2 3.32Å; D107-H165 IonicContact OD2-CD2 3.07Å; D107-H165 PolarHBondContact OD2-CD2 2.79Å; D107-H165 IonicContact OD2-NE2 3.15Å; D107-H165 PolarHBondContact OD2-NE2 2.72Å; D107-H165 VanDerWaalsContact OD2-NE2 3.15Å; I108-H165 HydrophobicContact CD1-CB 3.96Å; T161-H165 CarbonylContact C-O 3.55Å; T161-H165 WeakPolarHBondContact CA-O 3.4Å; V162-H165 PolarHBondContact N-O 2.85Å; V162-H165 PolarHBondContact O-N 2.79Å; N163-H165 PolarHBondContact O-N 3.49Å; H165-V167 PolarHBondContact O-N 3.29Å |
| 166 | K | 89.9 | Confident | 83.9 | Confident | 138 Ų | 138 | 62.7 Ų | 62.7 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.5 | 179.2 | -173.4 | 177.6 | 178.7 | -179.5 | 0 | 109.4 | F159 H160 | F159-K166 VanDerWaalsContact CB-CE 3.48Å; F159-K166 HydrophobicContact CB-CG 4.28Å; F159-K166 HydrophobicContact CD1-CD 4.39Å; F159-K166 HydrophobicContact CD1-CG 4.31Å; H160-K166 CarbonylContact O-C 3.57Å; H160-K166 WeakPolarHBondContact O-CA 3.48Å |
| 167 | V | 91.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.3 | 177.9 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | I101 G102 L104 I108 F159 H160 V162 H165 V169 | I101-V167 HydrophobicContact CG2-CB 3.84Å; I101-V167 HydrophobicContact CG2-CG1 4.44Å; I101-V167 HydrophobicContact CG2-CG2 3.94Å; G102-V167 CarbonylContact O-C 3.58Å; G102-V167 WeakPolarHBondContact O-CA 3.13Å; L104-V167 HydrophobicContact CD2-CB 4.42Å; L104-V167 HydrophobicContact CD2-CG1 3.74Å; I108-V167 HydrophobicContact CD1-CG1 4.01Å; F159-V167 CarbonylContact C-O 3.58Å; F159-V167 VanDerWaalsContact CA-O 3.3Å; F159-V167 WeakPolarHBondContact CA-O 3.39Å; H160-V167 HydrophobicContact CB-CG2 3.83Å; H160-V167 PolarHBondContact N-O 2.99Å; H160-V167 PolarHBondContact O-N 3.42Å; V162-V167 HydrophobicContact CB-CG1 4.38Å; V162-V167 HydrophobicContact CB-CG2 4.44Å; V162-V167 HydrophobicContact CG2-CG2 3.73Å; H165-V167 PolarHBondContact O-N 3.29Å; V167-V169 HydrophobicContact CG2-CG2 4.47Å |
| 168 | E | 90.6 | Very high | 82.2 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 29% | 0.29 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.4 | 175.9 | -171.9 | -175.5 | -159.2 | 0 | 0 | 109.7 | I101 G102 K158 F159 K170 | I101-E168 CarbonylContact C-O 3.55Å; I101-E168 WeakPolarHBondContact CA-O 3.44Å; G102-E168 PolarHBondContact N-O 3.17Å; G102-E168 PolarHBondContact O-N 2.89Å; K158-E168 WeakPolarHBondContact O-CA 3.4Å; F159-E168 HydrophobicContact CD1-CB 4.16Å; F159-E168 HydrophobicContact CD1-CG 4.28Å; F159-E168 HydrophobicContact CE1-CB 4.08Å; F159-E168 HydrophobicContact CE1-CG 3.95Å; E168-K170 VanDerWaalsContact CD-CE 3.42Å; E168-K170 WeakPolarHBondContact OE1-CE 3.06Å; E168-K170 IonicContact OE1-NZ 3.24Å; E168-K170 PolarHBondContact OE1-NZ 2.81Å; E168-K170 IonicContact OE2-NZ 3.1Å; E168-K170 PolarHBondContact OE2-NZ 3.22Å |
| 169 | V | 90.8 | Very high | 81.2 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.6 | -178.8 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | I99 F100 I101 F117 A154 V155 K158 H160 V167 | I99-V169 HydrophobicContact CB-CG1 4.2Å; I99-V169 HydrophobicContact CD1-CG1 3.88Å; F100-V169 WeakPolarHBondContact O-CA 3.33Å; I101-V169 HydrophobicContact CG1-CG2 4.27Å; I101-V169 HydrophobicContact CG2-CG2 4.44Å; F117-V169 HydrophobicContact CE1-CG1 4.48Å; F117-V169 HydrophobicContact CE1-CG2 3.95Å; F117-V169 HydrophobicContact CZ-CG2 3.6Å; A154-V169 HydrophobicContact CB-CG1 4.37Å; V155-V169 HydrophobicContact CG1-CG1 3.93Å; K158-V169 PolarHBondContact O-N 3.29Å; H160-V169 WeakPolarHBondContact CD2-CG2 3.32Å; V167-V169 HydrophobicContact CG2-CG2 4.47Å |
| 170 | K | 89 | Confident | 79.9 | Confident | 82 Ų | 82 | 67 Ų | 67 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 156.7 | 178.7 | -70.6 | 174.3 | 175.9 | 146.4 | 0 | 110.2 | I99 F100 E168 A172 | I99-K170 CarbonylContact C-O 3.53Å; I99-K170 WeakPolarHBondContact CA-O 3.42Å; F100-K170 HydrophobicContact CB-CB 4.48Å; F100-K170 HydrophobicContact CD1-CB 4.36Å; F100-K170 PolarHBondContact N-O 3.42Å; F100-K170 PolarHBondContact O-N 3.12Å; E168-K170 VanDerWaalsContact CD-CE 3.42Å; E168-K170 WeakPolarHBondContact OE1-CE 3.06Å; E168-K170 IonicContact OE1-NZ 3.24Å; E168-K170 PolarHBondContact OE1-NZ 2.81Å; E168-K170 IonicContact OE2-NZ 3.1Å; E168-K170 PolarHBondContact OE2-NZ 3.22Å; K170-A172 PolarHBondContact O-N 2.96Å |
| 171 | K | 88.3 | Confident | 78.4 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.6 | 167.5 | -75.5 | -174.3 | 167.8 | -175.1 | 0 | 109 | E91 A92 A94 V96 D152 V155 L173 | E91-K171 WeakPolarHBondContact O-CB 3.43Å; E91-K171 WeakPolarHBondContact O-CD 3.27Å; A92-K171 WeakPolarHBondContact O-CE 3.28Å; A92-K171 PolarHBondContact O-NZ 3.07Å; A94-K171 WeakPolarHBondContact O-CD 3.3Å; A94-K171 WeakPolarHBondContact O-CE 3.3Å; A94-K171 PolarHBondContact O-NZ 2.9Å; V96-K171 HydrophobicContact CG2-CB 3.62Å; V96-K171 HydrophobicContact CG2-CD 3.97Å; V96-K171 HydrophobicContact CG2-CG 3.74Å; D152-K171 WeakPolarHBondContact OD1-CE 3.38Å; D152-K171 IonicContact OD1-NZ 2.89Å; D152-K171 PolarHBondContact OD1-NZ 3.1Å; V155-K171 HydrophobicContact CB-CG 4.41Å; V155-K171 HydrophobicContact CG1-CG 3.84Å; V155-K171 HydrophobicContact CG2-CD 4.41Å; V155-K171 HydrophobicContact CG2-CG 4.03Å; K171-L173 PolarHBondContact O-N 2.8Å |
| 172 | A | 83.6 | Confident | 77 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 5% | 0.05 | 36% | 0.361 | C | S | . | . | trans | -79.4 | 110.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | K98 F100 F142 K170 | K98-A172 HydrophobicContact CB-CB 3.93Å; K98-A172 HydrophobicContact CD-CB 3.73Å; K98-A172 HydrophobicContact CG-CB 3.53Å; K98-A172 VanDerWaalsContact O-CB 3.3Å; K98-A172 WeakPolarHBondContact O-CB 3.06Å; K98-A172 PolarHBondContact O-N 3.48Å; F100-A172 HydrophobicContact CB-CB 4.22Å; F142-A172 HydrophobicContact CD1-CB 3.95Å; F142-A172 HydrophobicContact CE1-CB 4.01Å; K170-A172 PolarHBondContact O-N 2.96Å | ||
| 173 | L | 77.1 | Confident | 75.4 | Confident | 18 Ų | 18 | 77.4 Ų | 77.4 | 9% | 0.094 | 40% | 0.398 | C | S | . | . | trans | -71.6 | 149.8 | 165.3 | -68.5 | -171.9 | 0 | 0 | 0 | 111.4 | E91 A94 K171 E177 M178 A181 | E91-L173 HydrophobicContact CB-CD2 4.5Å; E91-L173 HydrophobicContact CG-CD1 3.27Å; E91-L173 HydrophobicContact CG-CD2 3.7Å; E91-L173 HydrophobicContact CG-CG 3.4Å; E91-L173 VanDerWaalsContact CG-CG 3.4Å; E91-L173 WeakPolarHBondContact OE1-CD1 3.39Å; E91-L173 WeakPolarHBondContact OE1-CG 3.41Å; A94-L173 HydrophobicContact CB-CD2 4.48Å; K171-L173 PolarHBondContact O-N 2.8Å; L173-E177 HydrophobicContact CB-CB 3.87Å; L173-E177 HydrophobicContact CD1-CB 3.98Å; L173-E177 HydrophobicContact CD2-CB 4.04Å; L173-E177 HydrophobicContact CG-CB 4.18Å; L173-M178 HydrophobicContact CB-CB 4.3Å; L173-A181 HydrophobicContact CD1-CB 4.02Å | ||
| 174 | T | 72.3 | Confident | 74 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | trans | -61.4 | 156.3 | 163.6 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | Q176 E177 M178 | T174-Q176 PolarHBondContact O-N 3.27Å; T174-Q176 VanDerWaalsContact O-N 3.1Å; T174-E177 WeakPolarHBondContact CB-OE2 3.42Å; T174-E177 WeakPolarHBondContact CG2-OE2 3.16Å; T174-E177 PolarHBondContact N-OE2 3.06Å; T174-E177 PolarHBondContact O-N 2.85Å; T174-E177 VanDerWaalsContact O-N 3.11Å; T174-E177 WeakPolarHBondContact OG1-CB 3.3Å; T174-E177 VanDerWaalsContact OG1-CD 3.29Å; T174-E177 VanDerWaalsContact OG1-CG 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.36Å; T174-E177 PolarHBondContact OG1-N 3.44Å; T174-E177 PolarHBondContact OG1-OE2 3.12Å; T174-M178 WeakPolarHBondContact O-CB 3.31Å; T174-M178 PolarHBondContact O-N 3.23Å | ||
| 175 | K | 68.6 | Low | 72.3 | Confident | 178 Ų | 178 | 83 Ų | 83 | 77% | 0.774 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -54.6 | -32.4 | 177.2 | -73.8 | -177 | 178.9 | 176.5 | 0 | 112.6 | Q179 | K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 VanDerWaalsContact O-CG 3.29Å; K175-Q179 WeakPolarHBondContact O-CG 3.29Å; K175-Q179 PolarHBondContact O-N 3.3Å; K175-Q179 VanDerWaalsContact O-N 3.09Å |
| 176 | Q | 64.3 | Low | 70.3 | Confident | 162 Ų | 162 | 88.1 Ų | 88.1 | 76% | 0.757 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.1 | -45.6 | 178.4 | -70 | 177.5 | -13.2 | 0 | 0 | 111.6 | T174 M178 Q179 A180 | T174-Q176 PolarHBondContact O-N 3.27Å; T174-Q176 VanDerWaalsContact O-N 3.1Å; Q176-M178 VanDerWaalsContact C-N 3.35Å; Q176-M178 PolarHBondContact O-N 3.03Å; Q176-Q179 PolarHBondContact O-N 3.35Å; Q176-A180 PolarHBondContact O-N 2.67Å |
| 177 | E | 66.5 | Low | 68.1 | Low | 84 Ų | 84 | 85 Ų | 85 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 175.2 | -70.3 | 166.3 | 134.6 | 0 | 0 | 111.8 | L173 T174 A180 A181 | L173-E177 HydrophobicContact CB-CB 3.87Å; L173-E177 HydrophobicContact CD1-CB 3.98Å; L173-E177 HydrophobicContact CD2-CB 4.04Å; L173-E177 HydrophobicContact CG-CB 4.18Å; T174-E177 WeakPolarHBondContact CB-OE2 3.42Å; T174-E177 WeakPolarHBondContact CG2-OE2 3.16Å; T174-E177 PolarHBondContact N-OE2 3.06Å; T174-E177 PolarHBondContact O-N 2.85Å; T174-E177 VanDerWaalsContact O-N 3.11Å; T174-E177 WeakPolarHBondContact OG1-CB 3.3Å; T174-E177 VanDerWaalsContact OG1-CD 3.29Å; T174-E177 VanDerWaalsContact OG1-CG 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.36Å; T174-E177 PolarHBondContact OG1-N 3.44Å; T174-E177 PolarHBondContact OG1-OE2 3.12Å; E177-A180 PolarHBondContact O-N 3.39Å; E177-A181 VanDerWaalsContact O-CB 3.3Å; E177-A181 WeakPolarHBondContact O-CB 3.46Å; E177-A181 PolarHBondContact O-N 3.05Å |
| 178 | M | 63.6 | Low | 65.9 | Low | 96 Ų | 96 | 91.3 Ų | 91.3 | 47% | 0.473 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.2 | -172.4 | -179.3 | -71.4 | 0 | 0 | 111.7 | L173 T174 Q176 A180 A181 S182 | L173-M178 HydrophobicContact CB-CB 4.3Å; T174-M178 WeakPolarHBondContact O-CB 3.31Å; T174-M178 PolarHBondContact O-N 3.23Å; Q176-M178 VanDerWaalsContact C-N 3.35Å; Q176-M178 PolarHBondContact O-N 3.03Å; M178-A180 VanDerWaalsContact C-N 3.33Å; M178-A181 PolarHBondContact O-N 3.47Å; M178-S182 VanDerWaalsContact O-CB 3.23Å; M178-S182 WeakPolarHBondContact O-CB 3.15Å; M178-S182 PolarHBondContact O-N 3.3Å |
| 179 | Q | 61.8 | Low | 63.8 | Low | 132 Ų | 132 | 99.4 Ų | 99.4 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -36 | 173.7 | -77 | 174.5 | 38.9 | 0 | 0 | 112.1 | K175 Q176 R183 | K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 VanDerWaalsContact O-CG 3.29Å; K175-Q179 WeakPolarHBondContact O-CG 3.29Å; K175-Q179 PolarHBondContact O-N 3.3Å; K175-Q179 VanDerWaalsContact O-N 3.09Å; Q176-Q179 PolarHBondContact O-N 3.35Å; Q179-R183 WeakPolarHBondContact O-CG 3.25Å; Q179-R183 PolarHBondContact O-N 2.92Å |
| 180 | A | 61.5 | Low | 61.7 | Low | 63 Ų | 63 | 102.2 Ų | 102.2 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.4 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q176 E177 M178 R183 | Q176-A180 PolarHBondContact O-N 2.67Å; E177-A180 PolarHBondContact O-N 3.39Å; M178-A180 VanDerWaalsContact C-N 3.33Å; A180-R183 PolarHBondContact O-N 2.79Å |
| 181 | A | 57.8 | Low | 59.4 | Low | 29 Ų | 29 | 109.7 Ų | 109.7 | 24% | 0.24 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -67.2 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L173 E177 M178 R183 N184 | L173-A181 HydrophobicContact CD1-CB 4.02Å; E177-A181 VanDerWaalsContact O-CB 3.3Å; E177-A181 WeakPolarHBondContact O-CB 3.46Å; E177-A181 PolarHBondContact O-N 3.05Å; M178-A181 PolarHBondContact O-N 3.47Å; A181-R183 PolarHBondContact O-N 3.39Å; A181-N184 PolarHBondContact O-N 3.09Å; A181-N184 VanDerWaalsContact O-N 3.08Å |
| 182 | S | 57.9 | Low | 57.2 | Low | 73 Ų | 73 | 114.9 Ų | 114.9 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.2 | -17.5 | 177.3 | -166.6 | 0 | 0 | 0 | 0 | 113.6 | M178 N184 | M178-S182 VanDerWaalsContact O-CB 3.23Å; M178-S182 WeakPolarHBondContact O-CB 3.15Å; M178-S182 PolarHBondContact O-N 3.3Å; S182-N184 VanDerWaalsContact C-N 3.31Å |
| 183 | R | 54.8 | Low | 55.2 | Low | 209 Ų | 209 | 118.2 Ų | 118.2 | 79% | 0.789 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.6 | -21.6 | 170.1 | -75.4 | -171.3 | -171.5 | -176.8 | 5 | 112.8 | Q179 A180 A181 | Q179-R183 WeakPolarHBondContact O-CG 3.25Å; Q179-R183 PolarHBondContact O-N 2.92Å; A180-R183 PolarHBondContact O-N 2.79Å; A181-R183 PolarHBondContact O-N 3.39Å |
| 184 | N | 52.4 | Low | 53.6 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -91.6 | -17 | -179.8 | -92.8 | -5.6 | 0 | 0 | 0 | 114.4 | A181 S182 | A181-N184 PolarHBondContact O-N 3.09Å; A181-N184 VanDerWaalsContact O-N 3.08Å; S182-N184 VanDerWaalsContact C-N 3.31Å |
| 185 | T | 48.4 | Very low | 52 | Low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -96.7 | -7.4 | 177.2 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | A187 | T185-A187 PolarHBondContact O-N 3.17Å |
| 186 | M | 45.4 | Very low | 50.7 | Low | 153 Ų | 153 | 129.3 Ų | 129.3 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | -85.1 | 95.1 | 164.8 | -128.9 | 176.1 | -169.7 | 0 | 0 | 107.9 | ||||
| 187 | A | 44.5 | Very low | 49.6 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | trans | -43.1 | 142 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | T185 R189 | T185-A187 PolarHBondContact O-N 3.17Å; A187-R189 PolarHBondContact O-N 3.3Å | ||
| 188 | P | 44.3 | Very low | 48.2 | Very low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -65.3 | 77.7 | 175.7 | 27.1 | -33 | 0 | 0 | 0 | 108.9 | G190 | P188-G190 VanDerWaalsContact C-N 3.31Å; P188-G190 PolarHBondContact O-N 2.92Å | ||
| 189 | R | 46.4 | Very low | 46.8 | Very low | 232 Ų | 232 | 135.9 Ų | 135.9 | 88% | 0.875 | 74% | 0.739 | S | S | * | * | trans | -68.9 | 102.2 | 165.8 | -117.7 | -174.9 | 160.8 | 103 | 0 | 103.8 | A187 R191 | A187-R189 PolarHBondContact O-N 3.3Å; R189-R191 PolarHBondContact O-N 3.42Å; R189-R191 VanDerWaalsContact O-N 3.08Å | ||
| 190 | G | 46.4 | Very low | 45.8 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | trans | -29.4 | 112.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P188 P192 | P188-G190 VanDerWaalsContact C-N 3.31Å; P188-G190 PolarHBondContact O-N 2.92Å; G190-P192 WeakPolarHBondContact O-CD 3.35Å | ||
| 191 | R | 42.1 | Very low | 44.6 | Very low | 239 Ų | 239 | 141.2 Ų | 141.2 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -51 | 119.6 | 161.7 | -146.6 | 176.7 | 176 | -147.8 | -1 | 105.7 | R189 G193 | R189-R191 PolarHBondContact O-N 3.42Å; R189-R191 VanDerWaalsContact O-N 3.08Å; R191-G193 PolarHBondContact O-N 2.83Å | ||
| 192 | P | 41.8 | Very low | 43.4 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -63.2 | 108.4 | 171.2 | -12.2 | 26 | 0 | 0 | 0 | 105.5 | G190 R194 | G190-P192 WeakPolarHBondContact O-CD 3.35Å; P192-R194 PolarHBondContact O-N 2.74Å | ||
| 193 | G | 40.6 | Very low | 42.2 | Very low | 75 Ų | 75 | 149.8 Ų | 149.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -55.1 | 103 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | R191 G195 | R191-G193 PolarHBondContact O-N 2.83Å; G193-G195 PolarHBondContact O-N 2.99Å | ||
| 194 | R | 44.1 | Very low | 41 | Very low | 254 Ų | 254 | 143.4 Ų | 143.4 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -66.3 | 102.2 | 169.2 | -167.8 | -178.5 | -167.6 | -130.1 | 5.8 | 107 | P192 | P192-R194 PolarHBondContact O-N 2.74Š|
| 195 | G | 39.6 | Very low | 40.2 | Very low | 64 Ų | 64 | 141.6 Ų | 141.6 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 99.7 | 69.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117 | G193 | G193-G195 PolarHBondContact O-N 2.99Š| ||
| 196 | M | 41.6 | Very low | 39.5 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -112.3 | 93.2 | 145.3 | -125.4 | 87.2 | 158.4 | 0 | 0 | 106.3 | G198 | M196-G198 VanDerWaalsContact C-N 3.31Å; M196-G198 PolarHBondContact O-N 3.29Å | ||
| 197 | R | 39.6 | Very low | 38.9 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -67.1 | 95.4 | 169.3 | -80 | -169.7 | 175.4 | -157.7 | 0.1 | 107.5 | N199 | R197-N199 PolarHBondContact O-N 2.9Å; R197-N199 VanDerWaalsContact O-N 3.16Å | ||
| 198 | G | 36.7 | Very low | 38.4 | Very low | 75 Ų | 75 | 155.5 Ų | 155.5 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -64.6 | 105.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | M196 Q200 | M196-G198 VanDerWaalsContact C-N 3.31Å; M196-G198 PolarHBondContact O-N 3.29Å; G198-Q200 PolarHBondContact O-N 3.13Å | ||
| 199 | N | 35.7 | Very low | 37.9 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -82.3 | 96.8 | 170 | -164 | 38.6 | 0 | 0 | 0 | 107.5 | R197 | R197-N199 PolarHBondContact O-N 2.9Å; R197-N199 VanDerWaalsContact O-N 3.16Å | ||
| 200 | Q | 40 | Very low | 37.2 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -100.5 | 106.4 | 170.9 | -159.7 | 171.7 | 76.6 | 0 | 0 | 105.9 | G198 | G198-Q200 PolarHBondContact O-N 3.13Š| ||
| 201 | N | 36.1 | Very low | 36.4 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 68% | 0.684 | 82% | 0.817 | S | S | * | * | trans | -178.7 | 113.4 | 148.5 | -95.3 | 10.1 | 0 | 0 | 0 | 109.1 | ||||
| 202 | G | 32.8 | Very low | 35.9 | Very low | 65 Ų | 65 | 146.9 Ų | 146.9 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | -84.6 | 145.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 203 | Y | 33.3 | Very low | 35.5 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -159.1 | 108.4 | 149.8 | -54.9 | -80 | 0 | 0 | 0 | 102.9 | ||||
| 204 | G | 30.3 | Very low | 35.2 | Very low | 76 Ų | 76 | 155.4 Ų | 155.4 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | 105.3 | 142.5 | 78.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 205 | S | 35.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 91.2 | 94.4 | 174.7 | -142.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 206 | R | 33.2 | Very low | 34.2 | Very low | 231 Ų | 231 | 152.4 Ų | 152.4 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | 90.1 | 152.9 | 73.8 | -88.1 | -176.1 | -171.8 | 176.1 | 4 | 111.8 | |||||
| 207 | E | 32.1 | Very low | 33.7 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | 92.4 | 133.3 | 174.8 | -63.4 | 177.3 | 150.5 | 0 | 0 | 114.7 | ||||
| 208 | Y | 34.2 | Very low | 33.3 | Very low | 223 Ų | 223 | 138.6 Ų | 138.6 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | cis | -172.2 | 133.1 | -14.7 | -151.1 | -97.3 | 0 | 0 | 0 | 105 | ||||
| 209 | G | 33.8 | Very low | 33 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 66.7 | 150.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 210 | G | 31.4 | Very low | 32.8 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | cis | 135.7 | 128.7 | 18.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 211 | S | 31 | Very low | 32.3 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 85.5 | 118.2 | 157 | -155 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 212 | Y | 31.4 | Very low | 32.2 | Very low | 220 Ų | 220 | 134.4 Ų | 134.4 | 86% | 0.863 | 81% | 0.814 | S | S | * | * | trans | -28.7 | 140.7 | 147.3 | -51.5 | -91.6 | 0 | 0 | 0 | 115.6 | ||||
| 213 | N | 32.1 | Very low | 32.2 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | -176.6 | 156 | 115.8 | -141.1 | -33.2 | 0 | 0 | 0 | 113.3 | |||||
| 214 | Y | 34.3 | Very low | 32.1 | Very low | 227 Ų | 227 | 133.7 Ų | 133.7 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -32.7 | 155 | 167.1 | -86.7 | -114.4 | 0 | 0 | 0 | 117.3 | ||||
| 215 | G | 31.9 | Very low | 32.1 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 168.4 | 117 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 216 | N | 30.4 | Very low | 32 | Very low | 176 Ų | 176 | 132 Ų | 132 | 94% | 0.941 | 82% | 0.818 | S | S | * | * | trans | -66.7 | 158.1 | 171.6 | -176.3 | -27.4 | 0 | 0 | 0 | 113.2 | ||||
| 217 | G | 32.2 | Very low | 31.8 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | trans | 124.4 | 113.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 218 | G | 31.1 | Very low | 31.9 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | 73 | 105.6 | 77 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 219 | G | 29.9 | Very low | 31.7 | Very low | 81 Ų | 81 | 120.3 Ų | 120.3 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | 117.7 | 132.6 | 59.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 220 | G | 32 | Very low | 31.6 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | 71.3 | 147 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 221 | G | 29.6 | Very low | 31.7 | Very low | 54 Ų | 54 | 128.3 Ų | 128.3 | 56% | 0.557 | 82% | 0.82 | S | S | * | * | cis | 139.2 | 131.3 | 20.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 222 | Y | 33.3 | Very low | 31.8 | Very low | 227 Ų | 227 | 126.6 Ų | 126.6 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | 67.7 | 130.1 | 156.7 | 63.5 | -100.6 | 0 | 0 | 0 | 122.7 | ||||
| 223 | N | 32.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | 86.7 | 110.7 | 134.6 | -149.7 | -24.5 | 0 | 0 | 0 | 120.7 | ||||
| 224 | C | 31.3 | Very low | 32.7 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | -172 | 129.5 | 121.4 | 54.6 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 225 | G | 30.5 | Very low | 32.6 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | cis | 88.8 | 106.6 | 48.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 226 | G | 33.1 | Very low | 32.6 | Very low | 78 Ų | 78 | 119.1 Ų | 119.1 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -169.6 | 85.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 227 | Y | 30.5 | Very low | 32.5 | Very low | 246 Ų | 246 | 113.6 Ų | 113.6 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | trans | -54.4 | 155.9 | 174.9 | -92.9 | -112.4 | 0 | 0 | 0 | 115.2 | ||||
| 228 | G | 33.2 | Very low | 32.6 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 144.8 | 111.4 | 131.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 229 | G | 31.2 | Very low | 32.6 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | 125.6 | 100.7 | 118.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 230 | Y | 31.2 | Very low | 32.8 | Very low | 243 Ų | 243 | 125.7 Ų | 125.7 | 95% | 0.953 | 82% | 0.817 | S | S | * | * | trans | 60.7 | 122.5 | 135.5 | -72.1 | -88.5 | 0 | 0 | 0 | 122.4 | ||||
| 231 | G | 32.5 | Very low | 32.8 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | 132.1 | 75.9 | 119.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 232 | G | 33 | Very low | 32.9 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | 88.6 | 157.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 233 | P | 53.1 | Low | 32.7 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | trans | -137.6 | 146.6 | -139.8 | 37.3 | -18.1 | 0 | 0 | 0 | 116.8 | ||||
| 234 | Y | 30.7 | Very low | 32.5 | Very low | 237 Ų | 237 | 122.4 Ų | 122.4 | 93% | 0.929 | 82% | 0.816 | S | S | * | * | trans | -178.6 | 145.5 | 147.7 | 43.6 | -102.3 | 0 | 0 | 0 | 115.3 | ||||
| 235 | G | 32.1 | Very low | 32.5 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 94 | 102.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 236 | G | 32 | Very low | 32.4 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | 93.6 | 120 | 67.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 237 | G | 28.2 | Very low | 32.3 | Very low | 60 Ų | 60 | 128.6 Ų | 128.6 | 62% | 0.619 | 83% | 0.828 | S | S | * | * | cis | 132.7 | 157.9 | 41.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 238 | Y | 33.8 | Very low | 32.2 | Very low | 243 Ų | 243 | 120.3 Ų | 120.3 | 95% | 0.953 | 82% | 0.817 | S | S | * | * | trans | 77.8 | 117.4 | 178.9 | -46.4 | -80.6 | 0 | 0 | 0 | 115 | ||||
| 239 | G | 32 | Very low | 32.1 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | cis | 105.8 | 99.6 | 19.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 240 | D | 33.2 | Very low | 32.1 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | -152.4 | 135 | 154.7 | -149.9 | -90.4 | 0 | 0 | 0 | 111 | ||||
| 241 | Q | 31.7 | Very low | 32.2 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -101.4 | 126.4 | -170 | -83.7 | 173.7 | -6.9 | 0 | 0 | 110.6 | ||||
| 242 | G | 31.1 | Very low | 32.2 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | 62.5 | 118.1 | 127 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 243 | S | 30.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | 174 | 132.9 | 109.8 | -83.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 244 | G | 28.2 | Very low | 31 | Very low | 61 Ų | 61 | 134.5 Ų | 134.5 | 63% | 0.629 | 82% | 0.824 | S | S | * | * | 101.9 | 113.3 | 125.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 245 | Y | 30.4 | Very low | 31.1 | Very low | 240 Ų | 240 | 126.3 Ų | 126.3 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | trans | 82.5 | 93.5 | 147.4 | -61.3 | -83.3 | 0 | 0 | 0 | 119.7 | ||||
| 246 | G | 28.3 | Very low | 31.2 | Very low | 85 Ų | 85 | 129 Ų | 129 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | 80.6 | 116.8 | 102.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 247 | G | 30.9 | Very low | 31 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 144.5 | 95.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 248 | G | 29.3 | Very low | 31.3 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | -77.9 | -176.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 249 | N | 31.6 | Very low | 31.2 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 94% | 0.941 | 81% | 0.811 | S | S | * | * | trans | 89.8 | 106.6 | -175.7 | -59.5 | -3.3 | 0 | 0 | 0 | 113 | ||||
| 250 | G | 29.6 | Very low | 31.4 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | cis | 140.5 | 114.6 | 12.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 251 | Y | 33.3 | Very low | 31.3 | Very low | 229 Ų | 229 | 133.2 Ų | 133.2 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | 81.4 | 83 | 162.9 | -72.6 | -86.2 | 0 | 0 | 0 | 121.5 | ||||
| 252 | N | 33.6 | Very low | 31.6 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | 16.2 | 123.3 | 112.6 | -64.4 | -15.8 | 0 | 0 | 0 | 121 | |||||
| 253 | D | 32.3 | Very low | 31.7 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | 70.7 | 122.9 | 104.1 | -137.6 | -117.4 | 0 | 0 | 0 | 120.9 | |||||
| 254 | F | 29.3 | Very low | 31.9 | Very low | 194 Ų | 194 | 129.1 Ų | 129.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | 29.9 | 122 | 143.7 | -89.3 | -106.2 | 0 | 0 | 0 | 120.5 | ||||
| 255 | G | 32.7 | Very low | 32.1 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | 127.5 | 121.2 | 117.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 256 | S | 33.7 | Very low | 32.4 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | 81.1 | 124.9 | 144.9 | -58.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 257 | G | 28.4 | Very low | 33 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | 149.6 | 119 | 142.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 258 | Y | 33.7 | Very low | 33.2 | Very low | 244 Ų | 244 | 136.4 Ų | 136.4 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | trans | 93 | 109.4 | 162.7 | -64 | -85.7 | 0 | 0 | 0 | 118.1 | ||||
| 259 | G | 32.3 | Very low | 33.4 | Very low | 68 Ų | 68 | 142.7 Ų | 142.7 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -97.6 | -160.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 260 | Q | 34.8 | Very low | 33.7 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | 77 | 127.1 | 178.2 | -62.7 | -172 | 27.8 | 0 | 0 | 112.9 | ||||
| 261 | Q | 32.4 | Very low | 34.5 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | -163.4 | 166.5 | 27.2 | -113.8 | 158.6 | 32.2 | 0 | 0 | 111.2 | ||||
| 262 | S | 36.7 | Very low | 35.6 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -56.3 | 143.1 | -175.8 | -177 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 263 | S | 32.8 | Very low | 35.7 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -170.1 | 118.3 | 130.7 | -91.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 264 | G | 35.2 | Very low | 35.7 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | 56.1 | 103.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 265 | Y | 32.9 | Very low | 36 | Very low | 233 Ų | 233 | 128.4 Ų | 128.4 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | 175.1 | 110.3 | 105.4 | -106.4 | -89.5 | 0 | 0 | 0 | 108.5 | |||||
| 266 | G | 36.6 | Very low | 36 | Very low | 59 Ų | 59 | 135.1 Ų | 135.1 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | trans | -79.6 | 163.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 267 | P | 40.7 | Very low | 36.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 127.3 | -177.7 | 28.2 | -32.5 | 0 | 0 | 0 | 112.2 | K269 | P267-K269 PolarHBondContact O-N 2.94Š| ||
| 268 | M | 35 | Very low | 36.6 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 96% | 0.956 | 81% | 0.812 | S | S | * | * | trans | -63.5 | 110.5 | 176.1 | -83 | 177.1 | 145.4 | 0 | 0 | 111.8 | ||||
| 269 | K | 34.2 | Very low | 36.6 | Very low | 202 Ų | 202 | 135.5 Ų | 135.5 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 129.1 | 152.3 | -94.3 | -178.5 | 172 | 178.8 | 0 | 108.2 | P267 | P267-K269 PolarHBondContact O-N 2.94Š|
| 270 | G | 36.9 | Very low | 36.7 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 152.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 271 | P | 48.1 | Very low | 37.6 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 153.3 | -177.5 | 33.4 | -31.3 | 0 | 0 | 0 | 113.1 | ||
| 272 | P | 55 | Low | 37.9 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 168.7 | 165.1 | 34.7 | -24.4 | 0 | 0 | 0 | 111.8 | ||
| 273 | F | 37 | Very low | 37.8 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | 127.4 | 131.2 | 151.8 | -80.6 | -81 | 0 | 0 | 0 | 116.5 | ||||
| 274 | G | 32.4 | Very low | 37.9 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 117.2 | 92.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 275 | G | 34.3 | Very low | 37.7 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -88.9 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 276 | Q | 33.8 | Very low | 37.7 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | trans | -175.9 | 148.7 | 134.6 | -99.7 | 160 | 15.9 | 0 | 0 | 111.5 | ||||
| 277 | R | 36.3 | Very low | 37.6 | Very low | 236 Ų | 236 | 135.1 Ų | 135.1 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -90.8 | 154.9 | -174.1 | -58.7 | 174.6 | 174.9 | -147.9 | -1.6 | 110.9 | ||||
| 278 | S | 37.3 | Very low | 37.3 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | 155.9 | 136 | 106.2 | -67.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 279 | A | 33.9 | Very low | 37.4 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 63.3 | 139.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 280 | A | 34.1 | Very low | 37.4 | Very low | 87 Ų | 87 | 121 Ų | 121 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | cis | -168.3 | -159.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 281 | P | 53.7 | Low | 37.8 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | cis | -139.1 | 170 | -11.7 | 26.6 | -1 | 0 | 0 | 0 | 116.6 | ||||
| 282 | Y | 38.2 | Very low | 37.9 | Very low | 222 Ų | 222 | 128.2 Ų | 128.2 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | 55.1 | 149.6 | 151.4 | 93.4 | -88 | 0 | 0 | 0 | 121.8 | ||||
| 283 | A | 35.5 | Very low | 37.3 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | cis | -176.2 | 162.2 | -20.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 284 | R | 33.8 | Very low | 37.4 | Very low | 256 Ų | 256 | 127.5 Ų | 127.5 | 97% | 0.966 | 81% | 0.813 | S | S | * | * | trans | 80.6 | 128.4 | 151 | -150.1 | 180 | -167.5 | -159.6 | 2.6 | 115.8 | ||||
| 285 | G | 32.2 | Very low | 37.9 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | 153.5 | 148.5 | 6.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 286 | G | 32.8 | Very low | 38.5 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | 90 | 113.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 287 | G | 34 | Very low | 39.1 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | 100.1 | 136.2 | 115 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 288 | G | 33.8 | Very low | 39.7 | Very low | 82 Ų | 82 | 121.8 Ų | 121.8 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 110 | 107.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 289 | G | 37.3 | Very low | 40.1 | Very low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 86% | 0.857 | S | S | * | * | trans | -75.7 | -175.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 290 | G | 35.7 | Very low | 40.4 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 86% | 0.856 | S | S | * | * | trans | 168.7 | 87.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 291 | Y | 44.8 | Very low | 40.7 | Very low | 214 Ų | 214 | 127 Ų | 127 | 84% | 0.839 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 134 | 162.2 | 5.6 | -98.9 | 0 | 0 | 0 | 108.4 | R293 | Y291-R293 PolarHBondContact O-N 3.37Š|
| 292 | P | 50.5 | Low | 40 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 86% | 0.864 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -77 | 124.8 | 177.8 | 28.1 | -29.7 | 0 | 0 | 0 | 111.2 | ||
| 293 | R | 41.5 | Very low | 40.1 | Very low | 237 Ų | 237 | 122.9 Ų | 122.9 | 89% | 0.894 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 121.7 | 178.1 | -165.1 | -175.2 | -167.4 | -136.5 | 4.6 | 109.8 | Y291 | Y291-R293 PolarHBondContact O-N 3.37Š|
| 294 | G | 39.3 | Very low | 40.4 | Very low | 62 Ų | 62 | 125.4 Ų | 125.4 | 64% | 0.639 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 125.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 295 | G | 43.8 | Very low | 40.8 | Very low | 81 Ų | 81 | 116.7 Ų | 116.7 | 84% | 0.835 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 120.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 296 | Y | 45.4 | Very low | 41.4 | Very low | 218 Ų | 218 | 119.8 Ų | 119.8 | 86% | 0.855 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -103 | 132.9 | 161.5 | 35.9 | -91 | 0 | 0 | 0 | 107.3 | ||
| 297 | G | 47.5 | Very low | 42.1 | Very low | 80 Ų | 80 | 122.5 Ų | 122.5 | 83% | 0.825 | 89% | 0.893 | S | S | * | * | trans | 176.3 | 106.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 298 | G | 48.8 | Very low | 42.8 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 93% | 0.928 | 89% | 0.893 | S | S | * | * | trans | -81.6 | 169.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 299 | G | 45.1 | Very low | 43.6 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 100% | 1.619 | 90% | 0.898 | S | S | * | * | trans | 173.7 | 0 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 299 of 299 residues in 77.5 ms
(Link to these results)