| 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 | 48.9 | Very low | 84.6 | Confident | 245 Ų | 245 | 88.2 Ų | 88.2 | 100% | 1.207 | 50% | 0.495 | S | S | * | . | 0 | 112.9 | 0 | -89.7 | 174.4 | -117.5 | 0 | 0 | 107.6 | |||||
| 2 | Q | 60.2 | Low | 85.3 | Confident | 153 Ų | 153 | 84.2 Ų | 84.2 | 72% | 0.715 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 130.9 | 168.2 | -72.9 | 179.8 | -1.2 | 0 | 0 | 107.3 | T4 | Q2-T4 PolarHBondContact O-N 3.25Š|
| 3 | S | 75.4 | Confident | 85.9 | Confident | 107 Ų | 107 | 83.2 Ų | 83.2 | 75% | 0.748 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 119.5 | -179.6 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 4 | T | 84.9 | Confident | 86.5 | Confident | 77 Ų | 77 | 84.6 Ų | 84.6 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 134 | 168.7 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | Q2 R206 | Q2-T4 PolarHBondContact O-N 3.25Å; T4-R206 HydrophobicContact CG2-CB 3.53Å |
| 5 | I | 90.3 | Very high | 87.1 | Confident | 85 Ų | 85 | 85.8 Ų | 85.8 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.8 | 176.4 | -55.1 | 173.8 | 0 | 0 | 0 | 107.9 | L7 R204 R206 | I5-L7 HydrophobicContact CG2-CD2 3.67Å; I5-L7 HydrophobicContact CG2-CG 4.02Å; I5-R204 PolarHBondContact N-O 2.99Å; I5-R206 PolarHBondContact O-N 3.24Å |
| 6 | L | 94.6 | Very high | 87.6 | Confident | 108 Ų | 108 | 81.1 Ų | 81.1 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.8 | 172.8 | -174.7 | 66.9 | 0 | 0 | 0 | 109.6 | T199 R206 L208 | L6-T199 HydrophobicContact CD1-CG2 4.05Å; L6-R206 CarbonylContact C-O 3.58Å; L6-R206 WeakPolarHBondContact CA-O 3.41Å; L6-R206 HydrophobicContact CD1-CB 4.29Å; L6-R206 HydrophobicContact CD1-CG 3.85Å; L6-L208 HydrophobicContact CD1-CD2 4Å; L6-L208 HydrophobicContact CD1-CG 3.97Å; L6-L208 HydrophobicContact CG-CG 4.33Å |
| 7 | L | 96.4 | Very high | 88.1 | Confident | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.052 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 146.5 | -170.4 | -66.1 | 177.5 | 0 | 0 | 0 | 110.8 | I5 D11 Y15 C205 R206 F207 L208 | I5-L7 HydrophobicContact CG2-CD2 3.67Å; I5-L7 HydrophobicContact CG2-CG 4.02Å; L7-D11 WeakPolarHBondContact CA-OD2 3.4Å; L7-D11 HydrophobicContact CB-CB 3.84Å; L7-D11 HydrophobicContact CD1-CB 4.4Å; L7-D11 HydrophobicContact CD2-CB 4.04Å; L7-D11 HydrophobicContact CG-CB 4.32Å; L7-Y15 VanDerWaalsContact CD1-CB 3.47Å; L7-Y15 HydrophobicContact CD1-CD1 4.16Å; L7-Y15 HydrophobicContact CD1-CD2 3.81Å; L7-Y15 HydrophobicContact CD1-CG 3.55Å; L7-Y15 HydrophobicContact CD2-CD2 3.95Å; L7-Y15 HydrophobicContact CD2-CE2 3.96Å; L7-Y15 HydrophobicContact CD2-CG 4.36Å; L7-C205 HydrophobicContact CD1-CB 3.86Å; L7-R206 PolarHBondContact N-O 3.5Å; L7-F207 HydrophobicContact CB-CD1 3.79Å; L7-F207 HydrophobicContact CB-CE1 3.99Å; L7-F207 HydrophobicContact CB-CG 4.46Å; L7-F207 HydrophobicContact CD1-CD1 4.18Å; L7-F207 HydrophobicContact CD1-CE1 3.6Å; L7-F207 HydrophobicContact CD1-CE2 4.45Å; L7-F207 HydrophobicContact CD1-CZ 3.77Å; L7-F207 HydrophobicContact CG-CE1 4.47Å; L7-F207 CarbonylContact O-C 3.53Å; L7-F207 WeakPolarHBondContact O-CA 3.43Å; L7-L208 PolarHBondContact O-N 3.39Å |
| 8 | A | 96 | Very high | 88.5 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 28% | 0.281 | 42% | 0.423 | S | S | . | . | trans | -77.4 | 164.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S10 D11 | A8-S10 PolarHBondContact O-N 2.92Å; A8-D11 PolarHBondContact N-OD2 3.37Å; A8-D11 WeakPolarHBondContact O-CB 3.48Å; A8-D11 PolarHBondContact O-N 3.4Å | ||
| 9 | P | 94.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 76.4 Ų | 76.4 | 11% | 0.11 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -52.2 | -38.1 | 173.8 | -29.2 | 35.2 | 0 | 0 | 0 | 114 | D11 Q12 A165 T167 L208 | P9-D11 PolarHBondContact O-N 2.98Å; P9-Q12 WeakPolarHBondContact O-CB 3.34Å; P9-Q12 VanDerWaalsContact O-CG 3.24Å; P9-Q12 WeakPolarHBondContact O-CG 3.27Å; P9-Q12 PolarHBondContact O-N 3.46Å; P9-A165 WeakPolarHBondContact CB-O 3.46Å; P9-T167 HydrophobicContact CG-CG2 3.95Å; P9-L208 WeakPolarHBondContact CG-O 3.49Å |
| 10 | S | 93.5 | Very high | 89.1 | Confident | 84 Ų | 84 | 75 Ų | 75 | 59% | 0.587 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -62.8 | -26.7 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | A8 Q12 L13 | A8-S10 PolarHBondContact O-N 2.92Å; S10-Q12 PolarHBondContact O-N 2.83Å; S10-L13 PolarHBondContact O-N 2.97Å |
| 11 | D | 95.7 | Very high | 89.4 | Confident | 50 Ų | 50 | 72.8 Ų | 72.8 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -72.8 | -10.5 | -178.1 | -64.6 | -35.9 | 0 | 0 | 0 | 112.3 | L7 A8 P9 L13 T14 Y15 F207 | L7-D11 WeakPolarHBondContact CA-OD2 3.4Å; L7-D11 HydrophobicContact CB-CB 3.84Å; L7-D11 HydrophobicContact CD1-CB 4.4Å; L7-D11 HydrophobicContact CD2-CB 4.04Å; L7-D11 HydrophobicContact CG-CB 4.32Å; A8-D11 PolarHBondContact N-OD2 3.37Å; A8-D11 WeakPolarHBondContact O-CB 3.48Å; A8-D11 PolarHBondContact O-N 3.4Å; P9-D11 PolarHBondContact O-N 2.98Å; D11-L13 PolarHBondContact O-N 2.78Å; D11-T14 PolarHBondContact O-N 3.11Å; D11-Y15 HydrophobicContact CB-CD2 3.99Å; D11-Y15 HydrophobicContact CB-CE2 4.49Å; D11-Y15 WeakPolarHBondContact O-CD2 3.28Å; D11-Y15 PolarHBondContact O-N 2.98Å; D11-F207 HydrophobicContact CB-CE1 4.43Å |
| 12 | Q | 92.9 | Very high | 91.5 | Very high | 40 Ų | 40 | 61.2 Ų | 61.2 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.5 | -33 | 173.4 | -70.5 | 176.4 | 23.4 | 0 | 0 | 111.9 | P9 S10 T14 F16 Q85 Y164 Y200 F207 | P9-Q12 WeakPolarHBondContact O-CB 3.34Å; P9-Q12 VanDerWaalsContact O-CG 3.24Å; P9-Q12 WeakPolarHBondContact O-CG 3.27Å; P9-Q12 PolarHBondContact O-N 3.46Å; S10-Q12 PolarHBondContact O-N 2.83Å; Q12-T14 PolarHBondContact O-N 2.75Å; Q12-T14 VanDerWaalsContact O-N 3.16Å; Q12-F16 HydrophobicContact CB-CB 4.08Å; Q12-F16 HydrophobicContact CG-CD2 4.46Å; Q12-F16 WeakPolarHBondContact O-CB 3.5Å; Q12-F16 PolarHBondContact O-N 3.29Å; Q12-F16 VanDerWaalsContact O-N 3.09Å; Q12-Q85 PolarHBondContact O-NE2 2.88Å; Q12-Y164 PolarHBondContact NE2-O 2.89Å; Q12-Y200 PolarHBondContact NE2-OH 2.62Å; Q12-F207 HydrophobicContact CB-CE1 4.3Å; Q12-F207 HydrophobicContact CG-CD1 3.64Å; Q12-F207 HydrophobicContact CG-CE1 3.69Å; Q12-F207 HydrophobicContact CG-CG 4.32Å; Q12-F207 HydrophobicContact CG-CZ 4.4Å |
| 13 | L | 93.5 | Very high | 93 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58 | -30.4 | 176 | -73.4 | -176.1 | 0 | 0 | 0 | 113.4 | S10 D11 Y82 A83 Q85 | S10-L13 PolarHBondContact O-N 2.97Å; D11-L13 PolarHBondContact O-N 2.78Å; L13-Y82 HydrophobicContact CD1-CD1 4.44Å; L13-Y82 HydrophobicContact CD1-CE1 3.53Å; L13-Y82 HydrophobicContact CD2-CD1 3.57Å; L13-Y82 HydrophobicContact CD2-CE1 3.51Å; L13-Y82 HydrophobicContact CG-CD1 4.05Å; L13-Y82 HydrophobicContact CG-CE1 3.57Å; L13-A83 HydrophobicContact CD2-CB 4.03Å; L13-Q85 PolarHBondContact O-NE2 2.93Å |
| 14 | T | 94.7 | Very high | 93.7 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 63% | 0.632 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -103.7 | -37 | -175.5 | -55.6 | 0 | 0 | 0 | 0 | 112.7 | D11 Q12 | D11-T14 PolarHBondContact O-N 3.11Å; Q12-T14 PolarHBondContact O-N 2.75Å; Q12-T14 VanDerWaalsContact O-N 3.16Å |
| 15 | Y | 95.3 | Very high | 93.9 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -112 | -9.3 | -167.9 | -65.6 | -86.7 | 0 | 0 | 0 | 114.5 | L7 D11 E17 | L7-Y15 VanDerWaalsContact CD1-CB 3.47Å; L7-Y15 HydrophobicContact CD1-CD1 4.16Å; L7-Y15 HydrophobicContact CD1-CD2 3.81Å; L7-Y15 HydrophobicContact CD1-CG 3.55Å; L7-Y15 HydrophobicContact CD2-CD2 3.95Å; L7-Y15 HydrophobicContact CD2-CE2 3.96Å; L7-Y15 HydrophobicContact CD2-CG 4.36Å; D11-Y15 HydrophobicContact CB-CD2 3.99Å; D11-Y15 HydrophobicContact CB-CE2 4.49Å; D11-Y15 WeakPolarHBondContact O-CD2 3.28Å; D11-Y15 PolarHBondContact O-N 2.98Å; Y15-E17 PolarHBondContact O-N 3.35Å |
| 16 | F | 95.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | trans | -76.8 | 113.9 | 178.8 | -170.7 | -83.3 | 0 | 0 | 0 | 110.4 | Q12 P18 Y21 P62 N86 Y200 L202 F207 | Q12-F16 HydrophobicContact CB-CB 4.08Å; Q12-F16 HydrophobicContact CG-CD2 4.46Å; Q12-F16 WeakPolarHBondContact O-CB 3.5Å; Q12-F16 PolarHBondContact O-N 3.29Å; Q12-F16 VanDerWaalsContact O-N 3.09Å; F16-P18 HydrophobicContact CD1-CG 4.27Å; F16-P18 HydrophobicContact CE1-CB 4.34Å; F16-P18 HydrophobicContact CE1-CG 4.47Å; F16-P18 WeakPolarHBondContact O-CD 3.46Å; F16-Y21 HydrophobicContact CE1-CD1 4.36Å; F16-Y21 HydrophobicContact CE1-CG 4.12Å; F16-Y21 AromaticContact CE2-CD2 3.96Å; F16-Y21 HydrophobicContact CE2-CD2 3.96Å; F16-Y21 HydrophobicContact CE2-CE2 4.49Å; F16-Y21 HydrophobicContact CE2-CG 4.14Å; F16-Y21 AromaticContact CZ-CD1 3.78Å; F16-Y21 HydrophobicContact CZ-CD1 3.78Å; F16-Y21 AromaticContact CZ-CD2 3.65Å; F16-Y21 HydrophobicContact CZ-CD2 3.65Å; F16-Y21 HydrophobicContact CZ-CE1 4.34Å; F16-Y21 HydrophobicContact CZ-CE2 4.25Å; F16-Y21 AromaticContact CZ-CG 3.39Å; F16-Y21 HydrophobicContact CZ-CG 3.39Å; F16-P62 HydrophobicContact CE1-CG 4.46Å; F16-N86 VanDerWaalsContact CE1-OD1 3.27Å; F16-N86 WeakPolarHBondContact CE1-OD1 3.33Å; F16-Y200 HydrophobicContact CE2-CE2 4.38Å; F16-L202 HydrophobicContact CB-CD2 4.5Å; F16-L202 HydrophobicContact CD1-CD2 4.44Å; F16-L202 HydrophobicContact CD2-CD2 3.53Å; F16-L202 HydrophobicContact CE2-CD2 3.78Å; F16-L202 HydrophobicContact CG-CD2 3.91Å; F16-L202 HydrophobicContact CZ-CD2 4.33Å; F16-F207 HydrophobicContact CB-CZ 4.41Å | ||
| 17 | E | 95.8 | Very high | 93.2 | Very high | 110 Ų | 110 | 50.3 Ų | 50.3 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | trans | -99 | 104.4 | 179.6 | -74.7 | -61.1 | 144 | 0 | 0 | 111 | Y15 L19 T20 Y21 | Y15-E17 PolarHBondContact O-N 3.35Å; E17-L19 PolarHBondContact O-N 2.87Å; E17-T20 WeakPolarHBondContact O-CB 3.5Å; E17-T20 PolarHBondContact O-N 3.36Å; E17-T20 VanDerWaalsContact O-N 3.13Å; E17-Y21 PolarHBondContact O-N 3.36Å | ||
| 18 | P | 96.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -36.8 | -165.8 | -19.6 | 30.8 | 0 | 0 | 0 | 114 | F16 Y21 L22 P62 Q85 N86 | F16-P18 HydrophobicContact CD1-CG 4.27Å; F16-P18 HydrophobicContact CE1-CB 4.34Å; F16-P18 HydrophobicContact CE1-CG 4.47Å; F16-P18 WeakPolarHBondContact O-CD 3.46Å; P18-Y21 PolarHBondContact O-N 3.41Å; P18-L22 VanDerWaalsContact O-CG 3.31Å; P18-L22 WeakPolarHBondContact O-CG 3.5Å; P18-L22 PolarHBondContact O-N 3.32Å; P18-P62 HydrophobicContact CB-CB 3.65Å; P18-P62 HydrophobicContact CB-CG 3.78Å; P18-Q85 HydrophobicContact CG-CB 3.87Å; P18-Q85 HydrophobicContact CG-CG 3.63Å; P18-N86 WeakPolarHBondContact CB-OD1 3.31Å; P18-N86 WeakPolarHBondContact CG-OD1 3.32Å |
| 19 | L | 94.5 | Very high | 89.8 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.6 | -33 | 177.8 | -175.6 | 60.9 | 0 | 0 | 0 | 112.3 | E17 K23 K99 F100 | E17-L19 PolarHBondContact O-N 2.87Å; L19-K23 HydrophobicContact CG-CD 4.4Å; L19-K23 WeakPolarHBondContact O-CB 3.26Å; L19-K23 VanDerWaalsContact O-CG 3.28Å; L19-K23 WeakPolarHBondContact O-CG 3.45Å; L19-K23 PolarHBondContact O-N 3.11Å; L19-K99 HydrophobicContact CD1-CB 4.29Å; L19-K99 HydrophobicContact CD2-CB 4.45Å; L19-K99 HydrophobicContact CD2-CD 4.28Å; L19-F100 HydrophobicContact CD1-CB 4.27Å |
| 20 | T | 94 | Very high | 88 | Confident | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 172.8 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | E17 L22 K23 E24 L202 | E17-T20 WeakPolarHBondContact O-CB 3.5Å; E17-T20 PolarHBondContact O-N 3.36Å; E17-T20 VanDerWaalsContact O-N 3.13Å; T20-L22 PolarHBondContact O-N 2.97Å; T20-K23 PolarHBondContact O-N 3.21Å; T20-K23 VanDerWaalsContact O-N 3.16Å; T20-E24 HydrophobicContact CG2-CG 4.32Å; T20-E24 VanDerWaalsContact CG2-OE1 3.27Å; T20-E24 WeakPolarHBondContact CG2-OE1 3.49Å; T20-E24 WeakPolarHBondContact O-CG 3.41Å; T20-E24 PolarHBondContact O-N 3.14Å; T20-L202 HydrophobicContact CG2-CD1 3.81Å |
| 21 | Y | 94.2 | Very high | 86.7 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 177.4 | 173.4 | -100.8 | 0 | 0 | 0 | 111.2 | F16 E17 P18 K23 E24 Y25 Y26 P62 T63 L202 | F16-Y21 HydrophobicContact CE1-CD1 4.36Å; F16-Y21 HydrophobicContact CE1-CG 4.12Å; F16-Y21 AromaticContact CE2-CD2 3.96Å; F16-Y21 HydrophobicContact CE2-CD2 3.96Å; F16-Y21 HydrophobicContact CE2-CE2 4.49Å; F16-Y21 HydrophobicContact CE2-CG 4.14Å; F16-Y21 AromaticContact CZ-CD1 3.78Å; F16-Y21 HydrophobicContact CZ-CD1 3.78Å; F16-Y21 AromaticContact CZ-CD2 3.65Å; F16-Y21 HydrophobicContact CZ-CD2 3.65Å; F16-Y21 HydrophobicContact CZ-CE1 4.34Å; F16-Y21 HydrophobicContact CZ-CE2 4.25Å; F16-Y21 AromaticContact CZ-CG 3.39Å; F16-Y21 HydrophobicContact CZ-CG 3.39Å; E17-Y21 PolarHBondContact O-N 3.36Å; P18-Y21 PolarHBondContact O-N 3.41Å; Y21-K23 VanDerWaalsContact C-N 3.31Å; Y21-K23 PolarHBondContact O-N 2.66Å; Y21-E24 PolarHBondContact O-N 2.83Å; Y21-Y25 AromaticContact CD2-CD2 3.38Å; Y21-Y25 HydrophobicContact CD2-CD2 3.38Å; Y21-Y25 AromaticContact CD2-CE2 3.78Å; Y21-Y25 HydrophobicContact CD2-CE2 3.78Å; Y21-Y25 HydrophobicContact CD2-CG 4.12Å; Y21-Y25 AromaticContact CE2-CD2 3.62Å; Y21-Y25 HydrophobicContact CE2-CD2 3.62Å; Y21-Y25 HydrophobicContact CE2-CE2 4.05Å; Y21-Y25 AromaticContact CE2-CG 3.93Å; Y21-Y25 HydrophobicContact CE2-CG 3.93Å; Y21-Y25 HydrophobicContact CG-CD2 4.18Å; Y21-Y25 WeakPolarHBondContact O-CB 3.28Å; Y21-Y25 WeakPolarHBondContact O-CD2 3.4Å; Y21-Y25 PolarHBondContact O-N 3.48Å; Y21-Y26 HydrophobicContact CD1-CE2 4.21Å; Y21-Y26 HydrophobicContact CE1-CD2 4.27Å; Y21-Y26 AromaticContact CE1-CE2 3.45Å; Y21-Y26 HydrophobicContact CE1-CE2 3.45Å; Y21-Y26 VanDerWaalsContact CE1-CE2 3.45Å; Y21-Y26 AromaticContact CZ-CE2 3.71Å; Y21-Y26 PolarHBondContact OH-OH 2.96Å; Y21-P62 HydrophobicContact CD1-CG 3.72Å; Y21-P62 HydrophobicContact CE1-CG 4.28Å; Y21-T63 HydrophobicContact CE1-CG2 3.85Å; Y21-L202 HydrophobicContact CD2-CD1 4.42Å |
| 22 | L | 93.8 | Very high | 85.3 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.7 | -70.5 | 176.4 | 0 | 0 | 0 | 112.5 | P18 T20 Y26 G27 P62 T63 F100 W102 | P18-L22 VanDerWaalsContact O-CG 3.31Å; P18-L22 WeakPolarHBondContact O-CG 3.5Å; P18-L22 PolarHBondContact O-N 3.32Å; T20-L22 PolarHBondContact O-N 2.97Å; L22-Y26 HydrophobicContact CD2-CD2 4.11Å; L22-Y26 CarbonylContact O-C 3.51Å; L22-Y26 VanDerWaalsContact O-CA 3.29Å; L22-Y26 WeakPolarHBondContact O-CA 3.19Å; L22-Y26 VanDerWaalsContact O-CB 3.26Å; L22-Y26 WeakPolarHBondContact O-CB 3.47Å; L22-Y26 PolarHBondContact O-N 3.07Å; L22-G27 PolarHBondContact O-N 3.42Å; L22-P62 HydrophobicContact CD1-CB 4.07Å; L22-P62 HydrophobicContact CD1-CG 4.29Å; L22-P62 HydrophobicContact CD2-CB 4.39Å; L22-P62 HydrophobicContact CD2-CG 3.96Å; L22-P62 HydrophobicContact CG-CB 4.19Å; L22-P62 HydrophobicContact CG-CG 3.85Å; L22-T63 HydrophobicContact CD2-CG2 4.04Å; L22-F100 HydrophobicContact CB-CB 4.39Å; L22-F100 HydrophobicContact CB-CD1 4.46Å; L22-F100 HydrophobicContact CB-CD2 3.58Å; L22-F100 HydrophobicContact CB-CE2 3.9Å; L22-F100 HydrophobicContact CB-CG 3.88Å; L22-F100 HydrophobicContact CB-CZ 4.47Å; L22-F100 HydrophobicContact CD1-CB 3.68Å; L22-F100 HydrophobicContact CD1-CD1 4.37Å; L22-F100 HydrophobicContact CD1-CD2 4.42Å; L22-F100 HydrophobicContact CD1-CG 3.91Å; L22-F100 HydrophobicContact CG-CG 4.4Å; L22-F100 VanDerWaalsContact O-CE2 3.25Å; L22-F100 WeakPolarHBondContact O-CE2 3.43Å; L22-W102 HydrophobicContact CD1-CZ2 4.32Å; L22-W102 HydrophobicContact CD2-CH2 3.62Å; L22-W102 HydrophobicContact CD2-CZ2 3.58Å |
| 23 | K | 91.4 | Very high | 84.2 | Confident | 119 Ų | 119 | 66.4 Ų | 66.4 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.4 | -46.7 | 179.2 | -75 | 173.1 | 178.4 | -179.5 | 0 | 112.7 | L19 T20 Y21 G27 | L19-K23 HydrophobicContact CG-CD 4.4Å; L19-K23 WeakPolarHBondContact O-CB 3.26Å; L19-K23 VanDerWaalsContact O-CG 3.28Å; L19-K23 WeakPolarHBondContact O-CG 3.45Å; L19-K23 PolarHBondContact O-N 3.11Å; T20-K23 PolarHBondContact O-N 3.21Å; T20-K23 VanDerWaalsContact O-N 3.16Å; Y21-K23 VanDerWaalsContact C-N 3.31Å; Y21-K23 PolarHBondContact O-N 2.66Å; K23-G27 WeakPolarHBondContact O-CA 3.31Å; K23-G27 PolarHBondContact O-N 3.43Å; K23-G27 VanDerWaalsContact O-N 3.17Å |
| 24 | E | 90.3 | Very high | 83.1 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | -176.7 | -71.9 | 179.7 | -172.9 | 0 | 0 | 111.7 | T20 Y21 G203 | T20-E24 HydrophobicContact CG2-CG 4.32Å; T20-E24 VanDerWaalsContact CG2-OE1 3.27Å; T20-E24 WeakPolarHBondContact CG2-OE1 3.49Å; T20-E24 WeakPolarHBondContact O-CG 3.41Å; T20-E24 PolarHBondContact O-N 3.14Å; Y21-E24 PolarHBondContact O-N 2.83Å; E24-G203 VanDerWaalsContact OE1-CA 3.3Å; E24-G203 WeakPolarHBondContact OE1-CA 3.34Å; E24-G203 PolarHBondContact OE1-N 3.14Å; E24-G203 VanDerWaalsContact OE1-N 3.13Å; E24-G203 PolarHBondContact OE2-N 3.35Å |
| 25 | Y | 89.2 | Confident | 82.3 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -98.1 | -27.6 | -171.7 | -73.4 | -83 | 0 | 0 | 0 | 114.2 | Y21 M31 L35 D201 | Y21-Y25 AromaticContact CD2-CD2 3.38Å; Y21-Y25 HydrophobicContact CD2-CD2 3.38Å; Y21-Y25 AromaticContact CD2-CE2 3.78Å; Y21-Y25 HydrophobicContact CD2-CE2 3.78Å; Y21-Y25 HydrophobicContact CD2-CG 4.12Å; Y21-Y25 AromaticContact CE2-CD2 3.62Å; Y21-Y25 HydrophobicContact CE2-CD2 3.62Å; Y21-Y25 HydrophobicContact CE2-CE2 4.05Å; Y21-Y25 AromaticContact CE2-CG 3.93Å; Y21-Y25 HydrophobicContact CE2-CG 3.93Å; Y21-Y25 HydrophobicContact CG-CD2 4.18Å; Y21-Y25 WeakPolarHBondContact O-CB 3.28Å; Y21-Y25 WeakPolarHBondContact O-CD2 3.4Å; Y21-Y25 PolarHBondContact O-N 3.48Å; Y25-M31 WeakPolarHBondContact O-CG 3.2Å; Y25-L35 HydrophobicContact CD1-CD1 3.7Å; Y25-L35 HydrophobicContact CG-CD1 4.08Å; Y25-L35 WeakPolarHBondContact O-CD1 3.46Å; Y25-D201 PolarHBondContact OH-O 2.98Å |
| 26 | Y | 89.2 | Confident | 81.5 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -124 | -11.4 | -174.1 | -59.7 | -95.5 | 0 | 0 | 0 | 114 | Y21 L22 L35 I39 T63 Y65 W102 I105 | Y21-Y26 HydrophobicContact CD1-CE2 4.21Å; Y21-Y26 HydrophobicContact CE1-CD2 4.27Å; Y21-Y26 AromaticContact CE1-CE2 3.45Å; Y21-Y26 HydrophobicContact CE1-CE2 3.45Å; Y21-Y26 VanDerWaalsContact CE1-CE2 3.45Å; Y21-Y26 AromaticContact CZ-CE2 3.71Å; Y21-Y26 PolarHBondContact OH-OH 2.96Å; L22-Y26 HydrophobicContact CD2-CD2 4.11Å; L22-Y26 CarbonylContact O-C 3.51Å; L22-Y26 VanDerWaalsContact O-CA 3.29Å; L22-Y26 WeakPolarHBondContact O-CA 3.19Å; L22-Y26 VanDerWaalsContact O-CB 3.26Å; L22-Y26 WeakPolarHBondContact O-CB 3.47Å; L22-Y26 PolarHBondContact O-N 3.07Å; Y26-L35 HydrophobicContact CE1-CD1 4.48Å; Y26-L35 HydrophobicContact CE1-CD2 3.82Å; Y26-L35 HydrophobicContact CE2-CD1 4.21Å; Y26-L35 HydrophobicContact CE2-CD2 4.34Å; Y26-L35 WeakPolarHBondContact OH-CD2 3.19Å; Y26-I39 HydrophobicContact CD1-CD1 4.38Å; Y26-I39 HydrophobicContact CE1-CD1 4.35Å; Y26-T63 HydrophobicContact CE1-CG2 4.36Å; Y26-T63 HydrophobicContact CE2-CG2 3.8Å; Y26-Y65 AromaticContact CE1-CD1 3.76Å; Y26-Y65 HydrophobicContact CE1-CD1 3.76Å; Y26-Y65 AromaticContact CE1-CE1 3.73Å; Y26-Y65 HydrophobicContact CE1-CE1 3.73Å; Y26-W102 HydrophobicContact CD1-CZ3 4.41Å; Y26-I105 HydrophobicContact CD1-CD1 3.88Å; Y26-I105 HydrophobicContact CG-CD1 4.42Å |
| 27 | G | 80.8 | Confident | 80.6 | Confident | 39 Ų | 39 | 57 Ų | 57 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -86.5 | -11.8 | -168 | 0 | 0 | 0 | 0 | 0 | 116.4 | L22 K23 | L22-G27 PolarHBondContact O-N 3.42Å; K23-G27 WeakPolarHBondContact O-CA 3.31Å; K23-G27 PolarHBondContact O-N 3.43Å; K23-G27 VanDerWaalsContact O-N 3.17Å |
| 28 | N | 65.5 | Low | 80 | Confident | 103 Ų | 103 | 51.9 Ų | 51.9 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -117.3 | 160.8 | -173.8 | -67.2 | -29.1 | 0 | 0 | 0 | 112 | D30 M31 | N28-D30 HydrophobicContact CB-CB 4.33Å; N28-D30 PolarHBondContact O-N 2.74Å; N28-D30 VanDerWaalsContact O-N 3.09Å; N28-M31 PolarHBondContact O-N 3.48Å; N28-M31 VanDerWaalsContact O-N 3.14Å |
| 29 | N | 55.7 | Low | 79.3 | Confident | 154 Ų | 154 | 52.1 Ų | 52.1 | 82% | 0.824 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.1 | 163.1 | -73 | -16.7 | 0 | 0 | 0 | 112.1 | K36 | N29-K36 VanDerWaalsContact O-CE 3.26Å; N29-K36 WeakPolarHBondContact O-CE 3.35Å; N29-K36 PolarHBondContact O-NZ 3.19Å |
| 30 | D | 56.6 | Low | 78.8 | Confident | 133 Ų | 133 | 52.8 Ų | 52.8 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 39.8 | 174.2 | -60.3 | -31 | 0 | 0 | 0 | 112.3 | N28 S32 | N28-D30 HydrophobicContact CB-CB 4.33Å; N28-D30 PolarHBondContact O-N 2.74Å; N28-D30 VanDerWaalsContact O-N 3.09Å; D30-S32 PolarHBondContact O-N 2.8Å |
| 31 | M | 66 | Low | 78.4 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | trans | -47.7 | 134.4 | 161.4 | 176.4 | -167.8 | -46.1 | 0 | 0 | 108.6 | Y25 N28 L35 K36 I39 I105 | Y25-M31 WeakPolarHBondContact O-CG 3.2Å; N28-M31 PolarHBondContact O-N 3.48Å; N28-M31 VanDerWaalsContact O-N 3.14Å; M31-L35 HydrophobicContact CG-CB 3.51Å; M31-L35 HydrophobicContact CG-CD1 4.46Å; M31-L35 HydrophobicContact SD-CB 3.92Å; M31-K36 HydrophobicContact CB-CD 4.35Å; M31-K36 HydrophobicContact CB-CG 3.76Å; M31-K36 HydrophobicContact CG-CG 3.74Å; M31-K36 VanDerWaalsContact O-CD 3.27Å; M31-K36 WeakPolarHBondContact O-CD 3.16Å; M31-K36 WeakPolarHBondContact O-CE 3.23Å; M31-K36 PolarHBondContact O-NZ 2.92Å; M31-K36 HydrophobicContact SD-CB 4.22Å; M31-K36 HydrophobicContact SD-CG 3.59Å; M31-K36 VanDerWaalsContact SD-CG 3.59Å; M31-K36 PolarHBondContact SD-N 3.29Å; M31-K36 VanDerWaalsContact SD-N 3.44Å; M31-I39 HydrophobicContact CE-CD1 3.9Å; M31-I39 HydrophobicContact SD-CD1 3.68Å; M31-I105 HydrophobicContact CE-CD1 4.44Å; M31-I105 HydrophobicContact CE-CG1 4.29Å | ||
| 32 | S | 66.3 | Low | 78 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | trans | -54.7 | 145.8 | -177.6 | 72.5 | 0 | 0 | 0 | 0 | 110.1 | D30 G34 L35 K36 | D30-S32 PolarHBondContact O-N 2.8Å; S32-G34 PolarHBondContact O-N 3.26Å; S32-L35 PolarHBondContact O-N 2.98Å; S32-L35 WeakPolarHBondContact OG-CB 3.46Å; S32-L35 VanDerWaalsContact OG-CD1 3.31Å; S32-L35 WeakPolarHBondContact OG-CD1 3.37Å; S32-L35 WeakPolarHBondContact OG-CG 2.86Å; S32-L35 PolarHBondContact OG-N 2.84Å; S32-K36 PolarHBondContact O-N 3.09Å | ||
| 33 | H | 69 | Low | 77.5 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.5 | -37.5 | -174.5 | -70.5 | -67.2 | 0 | 0 | 0 | 112.3 | K36 T37 E239 | H33-K36 PolarHBondContact O-N 2.96Å; H33-T37 WeakPolarHBondContact O-CB 3.45Å; H33-T37 PolarHBondContact O-N 3.49Å; H33-T37 PolarHBondContact O-OG1 3.49Å; H33-E239 VanDerWaalsContact CB-OE2 3.26Å; H33-E239 WeakPolarHBondContact CB-OE2 3.41Å; H33-E239 IonicContact CD2-OE2 3.07Å; H33-E239 IonicContact CG-OE2 3.7Å |
| 34 | G | 71.3 | Confident | 77.3 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S32 T37 I38 A241 | S32-G34 PolarHBondContact O-N 3.26Å; G34-T37 WeakPolarHBondContact O-CB 3.36Å; G34-T37 PolarHBondContact O-N 2.92Å; G34-I38 PolarHBondContact O-N 2.91Å; G34-A241 VanDerWaalsContact CA-CB 3.41Å |
| 35 | L | 77.3 | Confident | 77.3 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 176.7 | -75.9 | 169.6 | 0 | 0 | 0 | 112.5 | Y25 Y26 M31 S32 T37 I38 I39 F160 | Y25-L35 HydrophobicContact CD1-CD1 3.7Å; Y25-L35 HydrophobicContact CG-CD1 4.08Å; Y25-L35 WeakPolarHBondContact O-CD1 3.46Å; Y26-L35 HydrophobicContact CE1-CD1 4.48Å; Y26-L35 HydrophobicContact CE1-CD2 3.82Å; Y26-L35 HydrophobicContact CE2-CD1 4.21Å; Y26-L35 HydrophobicContact CE2-CD2 4.34Å; Y26-L35 WeakPolarHBondContact OH-CD2 3.19Å; M31-L35 HydrophobicContact CG-CB 3.51Å; M31-L35 HydrophobicContact CG-CD1 4.46Å; M31-L35 HydrophobicContact SD-CB 3.92Å; S32-L35 PolarHBondContact O-N 2.98Å; S32-L35 WeakPolarHBondContact OG-CB 3.46Å; S32-L35 VanDerWaalsContact OG-CD1 3.31Å; S32-L35 WeakPolarHBondContact OG-CD1 3.37Å; S32-L35 WeakPolarHBondContact OG-CG 2.86Å; S32-L35 PolarHBondContact OG-N 2.84Å; L35-T37 PolarHBondContact O-N 3.35Å; L35-I38 PolarHBondContact O-N 2.99Å; L35-I39 PolarHBondContact O-N 3.48Å; L35-I39 VanDerWaalsContact O-N 3.12Å; L35-F160 HydrophobicContact CD2-CD2 3.77Å; L35-F160 HydrophobicContact CD2-CE2 3.4Å; L35-F160 HydrophobicContact CD2-CZ 4.33Å; L35-F160 HydrophobicContact CG-CE2 4.02Å |
| 36 | K | 78.4 | Confident | 77.3 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.7 | -39.9 | 173 | -75.8 | 177.9 | 175.2 | 162.7 | 0 | 110.9 | N29 M31 S32 H33 S40 | N29-K36 VanDerWaalsContact O-CE 3.26Å; N29-K36 WeakPolarHBondContact O-CE 3.35Å; N29-K36 PolarHBondContact O-NZ 3.19Å; M31-K36 HydrophobicContact CB-CD 4.35Å; M31-K36 HydrophobicContact CB-CG 3.76Å; M31-K36 HydrophobicContact CG-CG 3.74Å; M31-K36 VanDerWaalsContact O-CD 3.27Å; M31-K36 WeakPolarHBondContact O-CD 3.16Å; M31-K36 WeakPolarHBondContact O-CE 3.23Å; M31-K36 PolarHBondContact O-NZ 2.92Å; M31-K36 HydrophobicContact SD-CB 4.22Å; M31-K36 HydrophobicContact SD-CG 3.59Å; M31-K36 VanDerWaalsContact SD-CG 3.59Å; M31-K36 PolarHBondContact SD-N 3.29Å; M31-K36 VanDerWaalsContact SD-N 3.44Å; S32-K36 PolarHBondContact O-N 3.09Å; H33-K36 PolarHBondContact O-N 2.96Å; K36-S40 WeakPolarHBondContact O-CB 3.4Å; K36-S40 PolarHBondContact O-N 3.26Å; K36-S40 PolarHBondContact O-OG 3.04Å |
| 37 | T | 77.4 | Confident | 77.3 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -55.1 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | H33 G34 L35 I39 S40 F41 Y236 F238 V243 | H33-T37 WeakPolarHBondContact O-CB 3.45Å; H33-T37 PolarHBondContact O-N 3.49Å; H33-T37 PolarHBondContact O-OG1 3.49Å; G34-T37 WeakPolarHBondContact O-CB 3.36Å; G34-T37 PolarHBondContact O-N 2.92Å; L35-T37 PolarHBondContact O-N 3.35Å; T37-I39 PolarHBondContact O-N 3.41Å; T37-S40 PolarHBondContact O-N 3.5Å; T37-S40 VanDerWaalsContact O-N 3.17Å; T37-F41 HydrophobicContact CG2-CD2 3.87Å; T37-F41 HydrophobicContact CG2-CE2 4.05Å; T37-F41 VanDerWaalsContact O-CD2 3.28Å; T37-F41 WeakPolarHBondContact O-CD2 3.35Å; T37-F41 PolarHBondContact O-N 2.91Å; T37-Y236 HydrophobicContact CG2-CD1 4.11Å; T37-Y236 HydrophobicContact CG2-CE1 3.9Å; T37-F238 HydrophobicContact CG2-CB 4.16Å; T37-V243 HydrophobicContact CG2-CG2 4.24Å |
| 38 | I | 82.6 | Confident | 77.8 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | -177.9 | -74.6 | 155.2 | 0 | 0 | 0 | 112.7 | G34 L35 S40 F41 L42 Y65 V159 F160 V243 | G34-I38 PolarHBondContact O-N 2.91Å; L35-I38 PolarHBondContact O-N 2.99Å; I38-S40 VanDerWaalsContact C-N 3.26Å; I38-S40 PolarHBondContact O-N 3.37Å; I38-F41 PolarHBondContact O-N 2.73Å; I38-L42 PolarHBondContact O-N 2.86Å; I38-Y65 HydrophobicContact CG2-CE2 3.87Å; I38-V159 HydrophobicContact CD1-CG1 3.51Å; I38-V159 HydrophobicContact CG1-CG1 4.38Å; I38-V159 HydrophobicContact CG2-CG1 4.1Å; I38-F160 HydrophobicContact CD1-CD2 3.93Å; I38-F160 HydrophobicContact CD1-CE1 4.26Å; I38-F160 HydrophobicContact CD1-CE2 3.08Å; I38-F160 HydrophobicContact CD1-CZ 3.32Å; I38-F160 HydrophobicContact CG1-CE2 4.45Å; I38-V243 HydrophobicContact CG1-CB 4.47Å; I38-V243 HydrophobicContact CG1-CG1 4.07Å; I38-V243 HydrophobicContact CG1-CG2 3.56Å |
| 39 | I | 82.3 | Confident | 79.2 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -37.3 | 179.9 | -70.5 | 169.9 | 0 | 0 | 0 | 110.8 | Y26 M31 L35 T37 L42 P43 Y65 I105 I109 | Y26-I39 HydrophobicContact CD1-CD1 4.38Å; Y26-I39 HydrophobicContact CE1-CD1 4.35Å; M31-I39 HydrophobicContact CE-CD1 3.9Å; M31-I39 HydrophobicContact SD-CD1 3.68Å; L35-I39 PolarHBondContact O-N 3.48Å; L35-I39 VanDerWaalsContact O-N 3.12Å; T37-I39 PolarHBondContact O-N 3.41Å; I39-L42 PolarHBondContact O-N 3.26Å; I39-P43 WeakPolarHBondContact O-CD 3.16Å; I39-Y65 HydrophobicContact CD1-CG 4.24Å; I39-Y65 HydrophobicContact CG1-CD2 3.88Å; I39-Y65 HydrophobicContact CG1-CE2 4.41Å; I39-Y65 HydrophobicContact CG1-CG 4.05Å; I39-I105 HydrophobicContact CD1-CD1 4.47Å; I39-I105 HydrophobicContact CD1-CG2 4.29Å; I39-I109 HydrophobicContact CG2-CG1 4.37Å |
| 40 | S | 83.7 | Confident | 81.1 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 38% | 0.378 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.4 | -31.6 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | K36 T37 I38 | K36-S40 WeakPolarHBondContact O-CB 3.4Å; K36-S40 PolarHBondContact O-N 3.26Å; K36-S40 PolarHBondContact O-OG 3.04Å; T37-S40 PolarHBondContact O-N 3.5Å; T37-S40 VanDerWaalsContact O-N 3.17Å; I38-S40 VanDerWaalsContact C-N 3.26Å; I38-S40 PolarHBondContact O-N 3.37Å |
| 41 | F | 85.6 | Confident | 83 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -84.6 | -19.3 | 178.3 | -85.7 | -85.5 | 0 | 0 | 0 | 113.8 | T37 I38 N44 F45 Y236 | T37-F41 HydrophobicContact CG2-CD2 3.87Å; T37-F41 HydrophobicContact CG2-CE2 4.05Å; T37-F41 VanDerWaalsContact O-CD2 3.28Å; T37-F41 WeakPolarHBondContact O-CD2 3.35Å; T37-F41 PolarHBondContact O-N 2.91Å; I38-F41 PolarHBondContact O-N 2.73Å; F41-N44 WeakPolarHBondContact O-CA 3.28Å; F41-N44 VanDerWaalsContact O-CB 3.3Å; F41-N44 WeakPolarHBondContact O-CB 3.34Å; F41-N44 PolarHBondContact O-N 2.96Å; F41-F45 PolarHBondContact O-N 2.79Å; F41-F45 VanDerWaalsContact O-N 3.07Å; F41-Y236 AromaticContact CD2-CD1 3.99Å; F41-Y236 HydrophobicContact CD2-CD1 3.99Å; F41-Y236 HydrophobicContact CD2-CE1 4.09Å; F41-Y236 HydrophobicContact CE1-CD1 4.08Å; F41-Y236 HydrophobicContact CE1-CD2 4.09Å; F41-Y236 HydrophobicContact CE1-CE1 4.39Å; F41-Y236 HydrophobicContact CE1-CE2 4.41Å; F41-Y236 AromaticContact CE1-CG 3.91Å; F41-Y236 HydrophobicContact CE1-CG 3.91Å; F41-Y236 AromaticContact CE2-CD1 3.37Å; F41-Y236 HydrophobicContact CE2-CD1 3.37Å; F41-Y236 HydrophobicContact CE2-CD2 4.47Å; F41-Y236 AromaticContact CE2-CE1 3.14Å; F41-Y236 HydrophobicContact CE2-CE1 3.14Å; F41-Y236 HydrophobicContact CE2-CE2 4.3Å; F41-Y236 HydrophobicContact CE2-CG 4.04Å; F41-Y236 AromaticContact CE2-CZ 3.67Å; F41-Y236 AromaticContact CZ-CD1 3.42Å; F41-Y236 HydrophobicContact CZ-CD1 3.42Å; F41-Y236 VanDerWaalsContact CZ-CD1 3.42Å; F41-Y236 AromaticContact CZ-CD2 3.7Å; F41-Y236 HydrophobicContact CZ-CD2 3.7Å; F41-Y236 AromaticContact CZ-CE1 3.33Å; F41-Y236 HydrophobicContact CZ-CE1 3.33Å; F41-Y236 AromaticContact CZ-CE2 3.62Å; F41-Y236 HydrophobicContact CZ-CE2 3.62Å; F41-Y236 AromaticContact CZ-CG 3.59Å; F41-Y236 HydrophobicContact CZ-CG 3.59Å; F41-Y236 AromaticContact CZ-CZ 3.44Å; F41-Y236 VanDerWaalsContact CZ-CZ 3.44Å |
| 42 | L | 85.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.7 | -43.8 | -174.7 | -177.3 | 60.1 | 0 | 0 | 0 | 113.7 | I38 I39 N44 F45 A46 Y65 M66 L70 | I38-L42 PolarHBondContact O-N 2.86Å; I39-L42 PolarHBondContact O-N 3.26Å; L42-N44 VanDerWaalsContact C-N 3.32Å; L42-N44 PolarHBondContact O-N 3.16Å; L42-F45 PolarHBondContact O-N 3.45Å; L42-A46 WeakPolarHBondContact O-CB 3.48Å; L42-A46 PolarHBondContact O-N 3.38Å; L42-Y65 HydrophobicContact CD2-CD2 4.3Å; L42-Y65 VanDerWaalsContact CD2-O 3.3Å; L42-Y65 WeakPolarHBondContact CD2-O 3.48Å; L42-M66 HydrophobicContact CD1-CE 3.75Å; L42-M66 HydrophobicContact CD1-SD 3.72Å; L42-M66 HydrophobicContact CD2-SD 4Å; L42-M66 HydrophobicContact CG-SD 4.49Å; L42-L70 HydrophobicContact CD1-CD2 4.08Å; L42-L70 HydrophobicContact CD1-CG 4.21Å |
| 43 | P | 84.2 | Confident | 86 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -32.6 | 175.2 | -28.2 | 41.7 | 0 | 0 | 0 | 113.6 | I39 F45 A46 A47 L112 E113 | I39-P43 WeakPolarHBondContact O-CD 3.16Å; P43-F45 VanDerWaalsContact C-N 3.33Å; P43-F45 PolarHBondContact O-N 3.44Å; P43-A46 PolarHBondContact O-N 3.02Å; P43-A47 WeakPolarHBondContact O-CB 3.44Å; P43-A47 PolarHBondContact O-N 2.85Å; P43-L112 HydrophobicContact CB-CB 4.17Å; P43-L112 HydrophobicContact CG-CB 3.62Å; P43-L112 HydrophobicContact CG-CD1 4.23Å; P43-E113 HydrophobicContact CB-CG 4.07Å; P43-E113 HydrophobicContact CG-CG 4.21Å |
| 44 | N | 86.5 | Confident | 87.4 | Confident | 78 Ų | 78 | 36.8 Ų | 36.8 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.2 | -35.8 | 174.8 | -77.4 | -74.5 | 0 | 0 | 0 | 112.2 | F41 L42 R48 | F41-N44 WeakPolarHBondContact O-CA 3.28Å; F41-N44 VanDerWaalsContact O-CB 3.3Å; F41-N44 WeakPolarHBondContact O-CB 3.34Å; F41-N44 PolarHBondContact O-N 2.96Å; L42-N44 VanDerWaalsContact C-N 3.32Å; L42-N44 PolarHBondContact O-N 3.16Å; N44-R48 PolarHBondContact O-NH1 3.42Å |
| 45 | F | 89.4 | Confident | 88.8 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.3 | -45.5 | 173.5 | -71.8 | -1.6 | 0 | 0 | 0 | 111.5 | F41 L42 P43 A47 R48 L49 I190 V243 L245 | F41-F45 PolarHBondContact O-N 2.79Å; F41-F45 VanDerWaalsContact O-N 3.07Å; L42-F45 PolarHBondContact O-N 3.45Å; P43-F45 VanDerWaalsContact C-N 3.33Å; P43-F45 PolarHBondContact O-N 3.44Å; F45-A47 PolarHBondContact O-N 2.68Å; F45-R48 PolarHBondContact O-N 3.1Å; F45-L49 WeakPolarHBondContact O-CG 3.49Å; F45-L49 PolarHBondContact O-N 2.82Å; F45-L49 VanDerWaalsContact O-N 3.11Å; F45-I190 HydrophobicContact CD2-CG2 3.93Å; F45-I190 HydrophobicContact CE2-CG2 4.15Å; F45-V243 HydrophobicContact CD2-CG1 4.38Å; F45-V243 HydrophobicContact CE2-CB 3.99Å; F45-V243 HydrophobicContact CE2-CG1 3.37Å; F45-V243 HydrophobicContact CZ-CB 3.94Å; F45-V243 HydrophobicContact CZ-CG1 3.87Å; F45-L245 HydrophobicContact CB-CD2 4.33Å; F45-L245 HydrophobicContact CD1-CB 4.13Å; F45-L245 HydrophobicContact CD1-CD2 4.26Å; F45-L245 HydrophobicContact CD2-CB 4.18Å; F45-L245 HydrophobicContact CE1-CB 4.1Å; F45-L245 HydrophobicContact CE2-CB 4.09Å; F45-L245 HydrophobicContact CG-CB 4.18Å; F45-L245 HydrophobicContact CG-CD2 4.33Å; F45-L245 HydrophobicContact CZ-CB 4.07Å |
| 46 | A | 89.9 | Confident | 89.8 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.3 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L42 P43 R48 L49 L70 K73 | L42-A46 WeakPolarHBondContact O-CB 3.48Å; L42-A46 PolarHBondContact O-N 3.38Å; P43-A46 PolarHBondContact O-N 3.02Å; A46-R48 VanDerWaalsContact C-N 3.26Å; A46-R48 PolarHBondContact O-N 2.88Å; A46-L49 PolarHBondContact O-N 3.02Å; A46-L49 VanDerWaalsContact O-N 3.16Å; A46-L70 HydrophobicContact CB-CD2 4.13Å; A46-K73 HydrophobicContact CB-CG 4.15Å; A46-K73 WeakPolarHBondContact O-CD 3.4Å; A46-K73 WeakPolarHBondContact O-CE 3.29Å; A46-K73 PolarHBondContact O-NZ 3.07Å |
| 47 | A | 89.6 | Confident | 90.7 | Very high | 73 Ų | 73 | 33.3 Ų | 33.3 | 60% | 0.603 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -58.6 | -33.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P43 F45 | P43-A47 WeakPolarHBondContact O-CB 3.44Å; P43-A47 PolarHBondContact O-N 2.85Å; F45-A47 PolarHBondContact O-N 2.68Å |
| 48 | R | 91.1 | Very high | 91.8 | Very high | 117 Ų | 117 | 32.7 Ų | 32.7 | 44% | 0.442 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -82.1 | -21.3 | 179.4 | -71.6 | 166.8 | 170.2 | 71.2 | 2 | 113.5 | N44 F45 A46 L245 | N44-R48 PolarHBondContact O-NH1 3.42Å; F45-R48 PolarHBondContact O-N 3.1Å; A46-R48 VanDerWaalsContact C-N 3.26Å; A46-R48 PolarHBondContact O-N 2.88Å; R48-L245 HydrophobicContact CB-CD2 3.89Å |
| 49 | L | 94.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -78.1 | 138.3 | 179.3 | -72.1 | 163.7 | 0 | 0 | 0 | 111 | F45 A46 L70 K73 I155 W188 I190 L245 | F45-L49 WeakPolarHBondContact O-CG 3.49Å; F45-L49 PolarHBondContact O-N 2.82Å; F45-L49 VanDerWaalsContact O-N 3.11Å; A46-L49 PolarHBondContact O-N 3.02Å; A46-L49 VanDerWaalsContact O-N 3.16Å; L49-L70 HydrophobicContact CD1-CD2 3.88Å; L49-K73 PolarHBondContact O-NZ 3.11Å; L49-I155 HydrophobicContact CD1-CD1 4.09Å; L49-I155 HydrophobicContact CD2-CD1 4.25Å; L49-I155 HydrophobicContact CD2-CG1 4.35Å; L49-W188 HydrophobicContact CD2-CB 3.66Å; L49-W188 HydrophobicContact CD2-CD2 3.52Å; L49-W188 HydrophobicContact CD2-CE3 3.98Å; L49-W188 HydrophobicContact CD2-CG 3.36Å; L49-I190 HydrophobicContact CD1-CD1 4.01Å; L49-L245 HydrophobicContact CD2-CD1 3.94Å; L49-L245 HydrophobicContact CG-CD1 4.29Å |
| 50 | P | 95 | Very high | 93.3 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -67 | 169.6 | 165.9 | 31.6 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 51 | H | 97.2 | Very high | 93.9 | Very high | 111 Ų | 111 | 30.8 Ų | 30.8 | 51% | 0.514 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 135.2 | 164.8 | -165.8 | 87.6 | 0 | 0 | 0 | 109.4 | K73 D75 | H51-K73 CarbonylContact C-O 3.3Å; H51-K73 WeakPolarHBondContact CA-O 3.36Å; H51-D75 IonicContact CD2-OD1 2.67Å; H51-D75 IonicContact CE1-OD1 3.14Å; H51-D75 PolarHBondContact CE1-OD1 3.14Å; H51-D75 IonicContact NE2-OD1 2.85Å; H51-D75 PolarHBondContact NE2-OD1 3.24Å; H51-D75 IonicContact NE2-OD2 3.69Å |
| 52 | C | 97.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 156 | -173.6 | -75.3 | 0 | 0 | 0 | 0 | 110.9 | K73 V74 D75 D154 I155 | C52-K73 PolarHBondContact N-O 3.03Å; C52-V74 HydrophobicContact CB-CG1 4.36Å; C52-V74 WeakPolarHBondContact O-CA 3.34Å; C52-D75 PolarHBondContact O-N 3.46Å; C52-D154 HydrophobicContact CB-CB 3.53Å; C52-I155 HydrophobicContact CB-CD1 3.91Å; C52-I155 HydrophobicContact CB-CG1 4.23Å |
| 53 | S | 98.2 | Very high | 95 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -38.1 | -179.8 | -56 | 0 | 0 | 0 | 0 | 111.9 | D75 S76 D154 | S53-D75 WeakPolarHBondContact O-CB 3.43Å; S53-D75 PolarHBondContact O-N 3.37Å; S53-S76 PolarHBondContact O-N 2.98Å; S53-D154 WeakPolarHBondContact CB-OD2 3.2Å; S53-D154 PolarHBondContact N-OD2 2.86Å; S53-D154 VanDerWaalsContact N-OD2 3.17Å |
| 54 | T | 98.7 | Very high | 95.6 | Very high | 19 Ų | 19 | 28 Ų | 28 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 135.8 | -167.3 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | S76 Y78 F153 D154 I155 | T54-S76 WeakPolarHBondContact CA-O 3.36Å; T54-Y78 HydrophobicContact CG2-CE2 4.26Å; T54-F153 WeakPolarHBondContact OG1-CA 3.25Å; T54-D154 PolarHBondContact N-OD2 2.97Å; T54-D154 WeakPolarHBondContact O-CB 3.46Å; T54-D154 PolarHBondContact O-N 3.44Å; T54-D154 PolarHBondContact OG1-N 3.1Å; T54-D154 VanDerWaalsContact OG1-N 3.15Å; T54-D154 PolarHBondContact OG1-OD2 2.68Å; T54-I155 PolarHBondContact O-N 2.72Å; T54-I155 VanDerWaalsContact O-N 3.14Å |
| 55 | F | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.4 | 172.8 | 162.4 | -121.3 | 0 | 0 | 0 | 111 | D57 M66 L70 V74 S76 I77 Y78 I155 S157 | F55-D57 HydrophobicContact CE1-CB 4.1Å; F55-D57 HydrophobicContact CE2-CB 4.38Å; F55-D57 HydrophobicContact CZ-CB 3.66Å; F55-M66 HydrophobicContact CE1-CB 4.32Å; F55-M66 HydrophobicContact CZ-CB 3.99Å; F55-M66 HydrophobicContact CZ-CE 4.38Å; F55-L70 HydrophobicContact CD1-CB 4.42Å; F55-L70 HydrophobicContact CD1-CD1 4.06Å; F55-L70 HydrophobicContact CD2-CD1 3.81Å; F55-L70 HydrophobicContact CE1-CD1 3.87Å; F55-L70 HydrophobicContact CE2-CD1 3.59Å; F55-L70 HydrophobicContact CG-CD1 4.05Å; F55-L70 HydrophobicContact CZ-CD1 3.63Å; F55-V74 HydrophobicContact CB-CB 4.15Å; F55-V74 HydrophobicContact CB-CG1 3.65Å; F55-V74 HydrophobicContact CB-CG2 4.19Å; F55-S76 PolarHBondContact N-O 3.15Å; F55-I77 HydrophobicContact CD1-CG1 4.24Å; F55-I77 HydrophobicContact CD1-CG2 4Å; F55-I77 HydrophobicContact CE1-CG2 4.33Å; F55-I77 CarbonylContact O-C 3.53Å; F55-Y78 WeakPolarHBondContact O-CD2 3.3Å; F55-Y78 PolarHBondContact O-N 3.08Å; F55-I155 WeakPolarHBondContact CA-O 3.2Å; F55-I155 HydrophobicContact CB-CB 4.36Å; F55-I155 HydrophobicContact CD2-CB 3.93Å; F55-I155 HydrophobicContact CD2-CG2 3.72Å; F55-I155 HydrophobicContact CE2-CG2 4.21Å; F55-S157 WeakPolarHBondContact CE2-OG 3.26Å; F55-S157 WeakPolarHBondContact CZ-OG 3.14Å |
| 56 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.1 | 171.1 | 175 | 70.2 | 0 | 0 | 0 | 110.2 | V58 Y78 L144 F153 I155 V156 S157 M182 | L56-V58 HydrophobicContact CD2-CG2 3.56Å; L56-V58 HydrophobicContact CG-CG2 3.77Å; L56-Y78 CarbonylContact C-O 3.38Å; L56-Y78 WeakPolarHBondContact CA-O 3.47Å; L56-L144 HydrophobicContact CD2-CD1 3.94Å; L56-F153 HydrophobicContact CB-CB 4.25Å; L56-F153 HydrophobicContact CB-CD1 3.67Å; L56-F153 HydrophobicContact CB-CD2 3.86Å; L56-F153 HydrophobicContact CB-CE1 3.9Å; L56-F153 HydrophobicContact CB-CE2 4.09Å; L56-F153 HydrophobicContact CB-CG 3.65Å; L56-F153 HydrophobicContact CB-CZ 4.1Å; L56-F153 HydrophobicContact CD1-CZ 4.29Å; L56-F153 HydrophobicContact CD2-CD2 3.84Å; L56-F153 HydrophobicContact CD2-CE2 3.67Å; L56-F153 HydrophobicContact CD2-CG 4.49Å; L56-F153 HydrophobicContact CD2-CZ 4.16Å; L56-F153 HydrophobicContact CG-CD2 4.46Å; L56-F153 HydrophobicContact CG-CE2 4.34Å; L56-F153 HydrophobicContact CG-CZ 4.42Å; L56-I155 PolarHBondContact N-O 3.5Å; L56-V156 HydrophobicContact CB-CG2 4.33Å; L56-V156 HydrophobicContact CD2-CG1 4.43Å; L56-V156 CarbonylContact O-C 3.59Å; L56-V156 VanDerWaalsContact O-CA 3.26Å; L56-V156 WeakPolarHBondContact O-CA 3.48Å; L56-S157 PolarHBondContact O-N 3Å; L56-M182 HydrophobicContact CD2-CE 4.06Å; L56-M182 HydrophobicContact CD2-SD 3.81Å |
| 57 | D | 98.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.7 | 167.5 | -170.3 | 29.6 | 0 | 0 | 0 | 109.9 | F55 S60 Y78 L79 S80 S157 | F55-D57 HydrophobicContact CE1-CB 4.1Å; F55-D57 HydrophobicContact CE2-CB 4.38Å; F55-D57 HydrophobicContact CZ-CB 3.66Å; D57-S60 WeakPolarHBondContact CB-OG 3.46Å; D57-S60 PolarHBondContact O-OG 3.18Å; D57-S60 WeakPolarHBondContact OD2-CA 3.46Å; D57-S60 VanDerWaalsContact OD2-CB 3.27Å; D57-S60 WeakPolarHBondContact OD2-CB 3.43Å; D57-S60 PolarHBondContact OD2-OG 2.82Å; D57-Y78 PolarHBondContact N-O 3.5Å; D57-L79 HydrophobicContact CB-CD2 3.95Å; D57-S80 PolarHBondContact O-N 3.36Å; D57-S80 PolarHBondContact O-OG 3.41Å; D57-S157 WeakPolarHBondContact CA-OG 3.27Å; D57-S157 PolarHBondContact OD1-OG 2.81Å |
| 58 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.9 | -175.4 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | L56 S80 V138 V156 S157 T158 V179 M182 | L56-V58 HydrophobicContact CD2-CG2 3.56Å; L56-V58 HydrophobicContact CG-CG2 3.77Å; V58-S80 WeakPolarHBondContact CA-OG 3.28Å; V58-V138 HydrophobicContact CG1-CG1 3.47Å; V58-V138 VanDerWaalsContact CG1-CG1 3.47Å; V58-V156 HydrophobicContact CG2-CG1 3.65Å; V58-S157 WeakPolarHBondContact CB-O 3.44Å; V58-S157 PolarHBondContact N-O 3.29Å; V58-T158 WeakPolarHBondContact O-CA 3.42Å; V58-T158 WeakPolarHBondContact O-CB 3.3Å; V58-T158 PolarHBondContact O-OG1 2.9Å; V58-V179 HydrophobicContact CG1-CG2 4.02Å; V58-M182 HydrophobicContact CG1-CE 4.44Å; V58-M182 HydrophobicContact CG2-CE 3.59Å |
| 59 | G | 98.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 14.7 Ų | 14.7 | 13% | 0.134 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 44.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G61 S80 | G59-G61 PolarHBondContact O-N 3.17Å; G59-S80 CarbonylContact C-O 3.59Å; G59-S80 WeakPolarHBondContact CA-O 3.36Å; G59-S80 PolarHBondContact N-O 2.98Å |
| 60 | S | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | trans | -54.2 | -22.6 | 176.3 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | D57 T63 S80 | D57-S60 WeakPolarHBondContact CB-OG 3.46Å; D57-S60 PolarHBondContact O-OG 3.18Å; D57-S60 WeakPolarHBondContact OD2-CA 3.46Å; D57-S60 VanDerWaalsContact OD2-CB 3.27Å; D57-S60 WeakPolarHBondContact OD2-CB 3.43Å; D57-S60 PolarHBondContact OD2-OG 2.82Å; S60-T63 WeakPolarHBondContact O-CB 3.45Å; S60-T63 PolarHBondContact O-N 2.98Å; S60-T63 PolarHBondContact O-OG1 3.2Å; S60-S80 PolarHBondContact N-O 3.4Å; S60-S80 PolarHBondContact OG-N 3.23Å; S60-S80 PolarHBondContact OG-O 3.27Å | ||
| 61 | G | 97.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 11.8 Ų | 11.8 | 9% | 0.093 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -143.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G59 T63 D81 L90 | G59-G61 PolarHBondContact O-N 3.17Å; G61-T63 PolarHBondContact O-N 3.41Å; G61-D81 VanDerWaalsContact CA-OD2 3.26Å; G61-D81 WeakPolarHBondContact CA-OD2 3.42Å; G61-D81 PolarHBondContact N-OD2 3.39Å; G61-L90 WeakPolarHBondContact O-CD1 3.4Å |
| 62 | P | 97.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 10.4 Ų | 10.4 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 17.5 | 171.8 | 37.1 | -35.5 | 0 | 0 | 0 | 113.2 | F16 P18 Y21 L22 N86 H89 | F16-P62 HydrophobicContact CE1-CG 4.46Å; P18-P62 HydrophobicContact CB-CB 3.65Å; P18-P62 HydrophobicContact CB-CG 3.78Å; Y21-P62 HydrophobicContact CD1-CG 3.72Å; Y21-P62 HydrophobicContact CE1-CG 4.28Å; L22-P62 HydrophobicContact CD1-CB 4.07Å; L22-P62 HydrophobicContact CD1-CG 4.29Å; L22-P62 HydrophobicContact CD2-CB 4.39Å; L22-P62 HydrophobicContact CD2-CG 3.96Å; L22-P62 HydrophobicContact CG-CB 4.19Å; L22-P62 HydrophobicContact CG-CG 3.85Å; P62-N86 WeakPolarHBondContact CD-OD1 3.47Å; P62-H89 HydrophobicContact CB-CB 3.89Å |
| 63 | T | 96.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | trans | -102.6 | 156.8 | -168.9 | 82.4 | 0 | 0 | 0 | 0 | 113.1 | Y21 L22 Y26 S60 G61 Y65 L90 W102 | Y21-T63 HydrophobicContact CE1-CG2 3.85Å; L22-T63 HydrophobicContact CD2-CG2 4.04Å; Y26-T63 HydrophobicContact CE1-CG2 4.36Å; Y26-T63 HydrophobicContact CE2-CG2 3.8Å; S60-T63 WeakPolarHBondContact O-CB 3.45Å; S60-T63 PolarHBondContact O-N 2.98Å; S60-T63 PolarHBondContact O-OG1 3.2Å; G61-T63 PolarHBondContact O-N 3.41Å; T63-Y65 HydrophobicContact CG2-CE1 4.31Å; T63-Y65 VanDerWaalsContact OG1-CE1 3.3Å; T63-Y65 WeakPolarHBondContact OG1-CE1 3.34Å; T63-L90 VanDerWaalsContact O-CD2 3.25Å; T63-L90 WeakPolarHBondContact O-CD2 3.36Å; T63-W102 HydrophobicContact CG2-CH2 4.38Å | ||
| 64 | V | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -137.5 | 6.5 | -174.1 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | M66 A67 M68 L90 W93 W102 | V64-M66 VanDerWaalsContact C-N 3.31Å; V64-M66 PolarHBondContact O-N 3.18Å; V64-A67 WeakPolarHBondContact O-CB 3.46Å; V64-A67 PolarHBondContact O-N 3.17Å; V64-A67 VanDerWaalsContact O-N 3.15Å; V64-M68 HydrophobicContact CG2-CE 3.99Å; V64-M68 HydrophobicContact CG2-SD 4.42Å; V64-M68 WeakPolarHBondContact O-CG 3.26Å; V64-M68 PolarHBondContact O-N 3.32Å; V64-L90 HydrophobicContact CG1-CD2 3.74Å; V64-W93 HydrophobicContact CB-CD2 4.1Å; V64-W93 HydrophobicContact CB-CE3 4.37Å; V64-W93 HydrophobicContact CB-CH2 4.2Å; V64-W93 HydrophobicContact CB-CZ2 3.94Å; V64-W93 HydrophobicContact CB-CZ3 4.41Å; V64-W93 HydrophobicContact CG1-CB 4.48Å; V64-W93 HydrophobicContact CG1-CD2 3.55Å; V64-W93 HydrophobicContact CG1-CE3 3.74Å; V64-W93 HydrophobicContact CG1-CG 3.86Å; V64-W93 HydrophobicContact CG1-CH2 4.46Å; V64-W93 HydrophobicContact CG1-CZ2 4.32Å; V64-W93 HydrophobicContact CG1-CZ3 4.19Å; V64-W93 HydrophobicContact CG2-CD2 4.21Å; V64-W93 HydrophobicContact CG2-CG 4.5Å; V64-W93 HydrophobicContact CG2-CZ2 3.88Å; V64-W102 HydrophobicContact CG2-CD2 3.49Å; V64-W102 VanDerWaalsContact CG2-CD2 3.49Å; V64-W102 VanDerWaalsContact CG2-CE2 3.47Å; V64-W102 HydrophobicContact CG2-CE3 3.88Å; V64-W102 HydrophobicContact CG2-CG 3.9Å; V64-W102 HydrophobicContact CG2-CH2 4.28Å; V64-W102 HydrophobicContact CG2-CZ2 3.9Å; V64-W102 HydrophobicContact CG2-CZ3 4.25Å | ||
| 65 | Y | 94.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 2% | 0.02 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65 | -33.8 | -176.5 | 65.5 | -93.9 | 0 | 0 | 0 | 112.5 | Y26 I38 I39 L42 T63 M68 G69 V159 | Y26-Y65 AromaticContact CE1-CD1 3.76Å; Y26-Y65 HydrophobicContact CE1-CD1 3.76Å; Y26-Y65 AromaticContact CE1-CE1 3.73Å; Y26-Y65 HydrophobicContact CE1-CE1 3.73Å; I38-Y65 HydrophobicContact CG2-CE2 3.87Å; I39-Y65 HydrophobicContact CD1-CG 4.24Å; I39-Y65 HydrophobicContact CG1-CD2 3.88Å; I39-Y65 HydrophobicContact CG1-CE2 4.41Å; I39-Y65 HydrophobicContact CG1-CG 4.05Å; L42-Y65 HydrophobicContact CD2-CD2 4.3Å; L42-Y65 VanDerWaalsContact CD2-O 3.3Å; L42-Y65 WeakPolarHBondContact CD2-O 3.48Å; T63-Y65 HydrophobicContact CG2-CE1 4.31Å; T63-Y65 VanDerWaalsContact OG1-CE1 3.3Å; T63-Y65 WeakPolarHBondContact OG1-CE1 3.34Å; Y65-M68 PolarHBondContact O-N 2.84Å; Y65-G69 PolarHBondContact O-N 2.96Å; Y65-V159 VanDerWaalsContact OH-CG1 3.25Å; Y65-V159 WeakPolarHBondContact OH-CG1 3.44Å |
| 66 | M | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 172.7 | -71.9 | -54.5 | -68.1 | 0 | 0 | 111.7 | L42 F55 V64 M68 G69 L70 V159 I190 | L42-M66 HydrophobicContact CD1-CE 3.75Å; L42-M66 HydrophobicContact CD1-SD 3.72Å; L42-M66 HydrophobicContact CD2-SD 4Å; L42-M66 HydrophobicContact CG-SD 4.49Å; F55-M66 HydrophobicContact CE1-CB 4.32Å; F55-M66 HydrophobicContact CZ-CB 3.99Å; F55-M66 HydrophobicContact CZ-CE 4.38Å; V64-M66 VanDerWaalsContact C-N 3.31Å; V64-M66 PolarHBondContact O-N 3.18Å; M66-M68 VanDerWaalsContact C-N 3.29Å; M66-M68 PolarHBondContact O-N 3.21Å; M66-G69 PolarHBondContact O-N 3.36Å; M66-L70 HydrophobicContact CE-CD1 4.04Å; M66-L70 WeakPolarHBondContact O-CB 3.35Å; M66-L70 PolarHBondContact O-N 2.9Å; M66-V159 HydrophobicContact SD-CG2 4.32Å; M66-I190 HydrophobicContact CE-CB 4.34Å; M66-I190 HydrophobicContact CE-CD1 3.89Å; M66-I190 HydrophobicContact CE-CG2 3.95Å |
| 67 | A | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V64 R71 I77 L79 A126 | V64-A67 WeakPolarHBondContact O-CB 3.46Å; V64-A67 PolarHBondContact O-N 3.17Å; V64-A67 VanDerWaalsContact O-N 3.15Å; A67-R71 WeakPolarHBondContact O-CB 3.28Å; A67-R71 PolarHBondContact O-N 3Å; A67-R71 VanDerWaalsContact O-N 3.14Å; A67-I77 HydrophobicContact CB-CD1 4.11Å; A67-I77 HydrophobicContact CB-CG2 4.08Å; A67-L79 HydrophobicContact CB-CD2 4.13Å; A67-A126 HydrophobicContact CB-CB 4.42Å |
| 68 | M | 96.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65 | -51.9 | 177.1 | -70.5 | -168.9 | -65.2 | 0 | 0 | 112.1 | V64 Y65 M66 L70 R71 W102 I105 A106 I109 V122 E123 A126 | V64-M68 HydrophobicContact CG2-CE 3.99Å; V64-M68 HydrophobicContact CG2-SD 4.42Å; V64-M68 WeakPolarHBondContact O-CG 3.26Å; V64-M68 PolarHBondContact O-N 3.32Å; Y65-M68 PolarHBondContact O-N 2.84Å; M66-M68 VanDerWaalsContact C-N 3.29Å; M66-M68 PolarHBondContact O-N 3.21Å; M68-L70 PolarHBondContact O-N 2.67Å; M68-R71 WeakPolarHBondContact O-CB 3.33Å; M68-R71 WeakPolarHBondContact O-CD 3.03Å; M68-R71 WeakPolarHBondContact O-CG 3.36Å; M68-R71 PolarHBondContact O-N 3.17Å; M68-R71 PolarHBondContact O-NH1 2.97Å; M68-W102 HydrophobicContact CE-CB 4.41Å; M68-W102 HydrophobicContact CE-CD2 4.39Å; M68-W102 HydrophobicContact CE-CE3 3.82Å; M68-I105 HydrophobicContact CE-CB 4.19Å; M68-I105 HydrophobicContact CE-CG2 3.6Å; M68-A106 HydrophobicContact SD-CB 4.09Å; M68-I109 HydrophobicContact CB-CD1 3.63Å; M68-I109 HydrophobicContact CE-CD1 4.1Å; M68-V122 HydrophobicContact CB-CG1 3.68Å; M68-V122 HydrophobicContact CG-CG1 3.91Å; M68-V122 HydrophobicContact SD-CG1 4.01Å; M68-E123 HydrophobicContact SD-CB 4.33Å; M68-E123 HydrophobicContact SD-CG 4.41Å; M68-A126 HydrophobicContact CG-CB 4.1Å |
| 69 | G | 94.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -73.6 | -23.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y65 M66 | Y65-G69 PolarHBondContact O-N 2.96Å; M66-G69 PolarHBondContact O-N 3.36Å |
| 70 | L | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -95.6 | -3.6 | 175.3 | -62.1 | -177.6 | 0 | 0 | 0 | 113.9 | L42 A46 L49 F55 M66 M68 N72 K73 V74 I155 I190 | L42-L70 HydrophobicContact CD1-CD2 4.08Å; L42-L70 HydrophobicContact CD1-CG 4.21Å; A46-L70 HydrophobicContact CB-CD2 4.13Å; L49-L70 HydrophobicContact CD1-CD2 3.88Å; F55-L70 HydrophobicContact CD1-CB 4.42Å; F55-L70 HydrophobicContact CD1-CD1 4.06Å; F55-L70 HydrophobicContact CD2-CD1 3.81Å; F55-L70 HydrophobicContact CE1-CD1 3.87Å; F55-L70 HydrophobicContact CE2-CD1 3.59Å; F55-L70 HydrophobicContact CG-CD1 4.05Å; F55-L70 HydrophobicContact CZ-CD1 3.63Å; M66-L70 HydrophobicContact CE-CD1 4.04Å; M66-L70 WeakPolarHBondContact O-CB 3.35Å; M66-L70 PolarHBondContact O-N 2.9Å; M68-L70 PolarHBondContact O-N 2.67Å; L70-N72 PolarHBondContact O-N 2.86Å; L70-K73 PolarHBondContact O-N 3.21Å; L70-V74 WeakPolarHBondContact O-CG2 3.27Å; L70-V74 PolarHBondContact O-N 3.47Å; L70-I155 HydrophobicContact CD1-CG2 4.38Å; L70-I190 HydrophobicContact CD1-CD1 3.75Å; L70-I190 HydrophobicContact CD2-CD1 4.18Å |
| 71 | R | 96.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -32.8 | -173.8 | 77 | -164.3 | 179.8 | -68.1 | -4.4 | 113.8 | A67 M68 E113 V122 V125 A126 K129 | A67-R71 WeakPolarHBondContact O-CB 3.28Å; A67-R71 PolarHBondContact O-N 3Å; A67-R71 VanDerWaalsContact O-N 3.14Å; M68-R71 WeakPolarHBondContact O-CB 3.33Å; M68-R71 WeakPolarHBondContact O-CD 3.03Å; M68-R71 WeakPolarHBondContact O-CG 3.36Å; M68-R71 PolarHBondContact O-N 3.17Å; M68-R71 PolarHBondContact O-NH1 2.97Å; R71-E113 IonicContact CZ-OE1 3.35Å; R71-E113 IonicContact CZ-OE2 3.85Å; R71-E113 VanDerWaalsContact NH1-CD 3.35Å; R71-E113 IonicContact NH1-OE1 3.2Å; R71-E113 PolarHBondContact NH1-OE1 3.06Å; R71-E113 IonicContact NH1-OE2 3.1Å; R71-E113 PolarHBondContact NH1-OE2 3.3Å; R71-E113 VanDerWaalsContact NH1-OE2 3.14Å; R71-E113 IonicContact NH2-OE1 2.66Å; R71-E113 IonicContact NH2-OE2 2.82Å; R71-E113 PolarHBondContact NH2-OE2 3.38Å; R71-V122 VanDerWaalsContact CD-O 3.23Å; R71-V122 WeakPolarHBondContact CD-O 3.33Å; R71-V125 HydrophobicContact CB-CG1 4.31Å; R71-V125 HydrophobicContact CG-CG1 4.14Å; R71-A126 HydrophobicContact CB-CB 4.03Å; R71-K129 WeakPolarHBondContact O-CD 3.33Å; R71-K129 WeakPolarHBondContact O-CE 3.49Å; R71-K129 PolarHBondContact O-NZ 3.39Å |
| 72 | N | 95.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 18.5 Ų | 18.5 | 44% | 0.439 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -2.7 | -177.6 | -70.6 | -23.7 | 0 | 0 | 0 | 113.9 | L70 | L70-N72 PolarHBondContact O-N 2.86Š|
| 73 | K | 96.6 | Very high | 97.3 | Very high | 50 Ų | 50 | 18.6 Ų | 18.6 | 22% | 0.217 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -7 | -178.7 | -65.1 | -69.9 | 173.2 | 150.5 | 0 | 113.4 | A46 L49 H51 C52 L70 | A46-K73 HydrophobicContact CB-CG 4.15Å; A46-K73 WeakPolarHBondContact O-CD 3.4Å; A46-K73 WeakPolarHBondContact O-CE 3.29Å; A46-K73 PolarHBondContact O-NZ 3.07Å; L49-K73 PolarHBondContact O-NZ 3.11Å; H51-K73 CarbonylContact C-O 3.3Å; H51-K73 WeakPolarHBondContact CA-O 3.36Å; C52-K73 PolarHBondContact N-O 3.03Å; L70-K73 PolarHBondContact O-N 3.21Å |
| 74 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.5 | -170.8 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | C52 F55 L70 I77 K129 I155 | C52-V74 HydrophobicContact CB-CG1 4.36Å; C52-V74 WeakPolarHBondContact O-CA 3.34Å; F55-V74 HydrophobicContact CB-CB 4.15Å; F55-V74 HydrophobicContact CB-CG1 3.65Å; F55-V74 HydrophobicContact CB-CG2 4.19Å; L70-V74 WeakPolarHBondContact O-CG2 3.27Å; L70-V74 PolarHBondContact O-N 3.47Å; V74-I77 HydrophobicContact CG2-CD1 4.14Å; V74-I77 HydrophobicContact CG2-CG1 3.59Å; V74-K129 WeakPolarHBondContact O-CD 3.22Å; V74-K129 WeakPolarHBondContact O-CE 3.21Å; V74-K129 PolarHBondContact O-NZ 3.45Å; V74-I155 HydrophobicContact CG1-CD1 3.82Å |
| 75 | D | 98.5 | Very high | 97.3 | Very high | 79 Ų | 79 | 25.9 Ų | 25.9 | 42% | 0.422 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -35.4 | 174.1 | -59.9 | -35.5 | 0 | 0 | 0 | 112.5 | H51 C52 S53 | H51-D75 IonicContact CD2-OD1 2.67Å; H51-D75 IonicContact CE1-OD1 3.14Å; H51-D75 PolarHBondContact CE1-OD1 3.14Å; H51-D75 IonicContact NE2-OD1 2.85Å; H51-D75 PolarHBondContact NE2-OD1 3.24Å; H51-D75 IonicContact NE2-OD2 3.69Å; C52-D75 PolarHBondContact O-N 3.46Å; S53-D75 WeakPolarHBondContact O-CB 3.43Å; S53-D75 PolarHBondContact O-N 3.37Å |
| 76 | S | 98.7 | Very high | 97.5 | Very high | 22 Ų | 22 | 26 Ų | 26 | 15% | 0.154 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 128.8 | -175.7 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | S53 T54 F55 K131 | S53-S76 PolarHBondContact O-N 2.98Å; T54-S76 WeakPolarHBondContact CA-O 3.36Å; F55-S76 PolarHBondContact N-O 3.15Å; S76-K131 VanDerWaalsContact OG-CE 3.25Å; S76-K131 WeakPolarHBondContact OG-CE 3.3Å |
| 77 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.1 | 178.6 | -59.9 | 175.1 | 0 | 0 | 0 | 109.4 | F55 A67 V74 L79 K129 V130 K131 | F55-I77 HydrophobicContact CD1-CG1 4.24Å; F55-I77 HydrophobicContact CD1-CG2 4Å; F55-I77 HydrophobicContact CE1-CG2 4.33Å; F55-I77 CarbonylContact O-C 3.53Å; A67-I77 HydrophobicContact CB-CD1 4.11Å; A67-I77 HydrophobicContact CB-CG2 4.08Å; V74-I77 HydrophobicContact CG2-CD1 4.14Å; V74-I77 HydrophobicContact CG2-CG1 3.59Å; I77-L79 HydrophobicContact CG2-CD2 3.71Å; I77-L79 HydrophobicContact CG2-CG 4.19Å; I77-K129 HydrophobicContact CD1-CB 3.89Å; I77-K129 HydrophobicContact CG1-CB 3.98Å; I77-K129 PolarHBondContact N-O 3.41Å; I77-V130 HydrophobicContact CB-CG2 4.16Å; I77-V130 HydrophobicContact CG2-CG2 4.04Å; I77-V130 CarbonylContact O-C 3.56Å; I77-V130 WeakPolarHBondContact O-CA 3.49Å; I77-K131 PolarHBondContact O-N 3.36Å |
| 78 | Y | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.4 | 173.6 | -63.6 | -97.1 | 0 | 0 | 0 | 107.4 | T54 F55 L56 D57 K131 A132 I134 Y148 K151 F153 | T54-Y78 HydrophobicContact CG2-CE2 4.26Å; F55-Y78 WeakPolarHBondContact O-CD2 3.3Å; F55-Y78 PolarHBondContact O-N 3.08Å; L56-Y78 CarbonylContact C-O 3.38Å; L56-Y78 WeakPolarHBondContact CA-O 3.47Å; D57-Y78 PolarHBondContact N-O 3.5Å; Y78-K131 HydrophobicContact CD1-CB 4.42Å; Y78-K131 HydrophobicContact CE1-CB 3.87Å; Y78-K131 HydrophobicContact CE2-CB 4.45Å; Y78-A132 HydrophobicContact CD1-CB 3.97Å; Y78-A132 HydrophobicContact CE1-CB 4.26Å; Y78-I134 HydrophobicContact CD1-CD1 3.87Å; Y78-Y148 HydrophobicContact CD1-CE1 4.37Å; Y78-Y148 HydrophobicContact CE1-CD1 4.44Å; Y78-Y148 AromaticContact CE1-CE1 3.84Å; Y78-Y148 HydrophobicContact CE1-CE1 3.84Å; Y78-K151 PolarHBondContact OH-NZ 3.42Å; Y78-F153 HydrophobicContact CD1-CE1 4.24Å; Y78-F153 HydrophobicContact CD2-CD1 4.06Å; Y78-F153 AromaticContact CD2-CE1 3.49Å; Y78-F153 HydrophobicContact CD2-CE1 3.49Å; Y78-F153 VanDerWaalsContact CD2-CE1 3.49Å; Y78-F153 HydrophobicContact CE2-CD1 4.49Å; Y78-F153 AromaticContact CE2-CE1 3.92Å; Y78-F153 HydrophobicContact CE2-CE1 3.92Å; Y78-F153 AromaticContact CG-CE1 3.66Å; Y78-F153 HydrophobicContact CG-CE1 3.66Å; Y78-F153 HydrophobicContact CG-CZ 4.39Å |
| 79 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 148.5 | 175 | -53.8 | 179.5 | 0 | 0 | 0 | 108.3 | D57 A67 I77 L90 W93 V130 A132 I133 I134 | D57-L79 HydrophobicContact CB-CD2 3.95Å; A67-L79 HydrophobicContact CB-CD2 4.13Å; I77-L79 HydrophobicContact CG2-CD2 3.71Å; I77-L79 HydrophobicContact CG2-CG 4.19Å; L79-L90 HydrophobicContact CB-CD1 3.94Å; L79-L90 HydrophobicContact CD1-CD1 4.39Å; L79-L90 HydrophobicContact CD1-CD2 4.14Å; L79-W93 HydrophobicContact CD1-CZ3 4.44Å; L79-V130 HydrophobicContact CD1-CG2 4.24Å; L79-V130 HydrophobicContact CG-CG2 4.49Å; L79-A132 PolarHBondContact N-O 2.84Å; L79-A132 VanDerWaalsContact N-O 3.08Å; L79-I133 HydrophobicContact CB-CG1 4.26Å; L79-I133 CarbonylContact O-C 3.55Å; L79-I133 VanDerWaalsContact O-CA 3.27Å; L79-I133 WeakPolarHBondContact O-CA 3.12Å; L79-I134 PolarHBondContact O-N 3.29Å |
| 80 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 144.3 | -179.3 | 71.5 | 0 | 0 | 0 | 0 | 113.2 | D57 V58 G59 S60 I134 | D57-S80 PolarHBondContact O-N 3.36Å; D57-S80 PolarHBondContact O-OG 3.41Å; V58-S80 WeakPolarHBondContact CA-OG 3.28Å; G59-S80 CarbonylContact C-O 3.59Å; G59-S80 WeakPolarHBondContact CA-O 3.36Å; G59-S80 PolarHBondContact N-O 2.98Å; S60-S80 PolarHBondContact N-O 3.4Å; S60-S80 PolarHBondContact OG-N 3.23Å; S60-S80 PolarHBondContact OG-O 3.27Å; S80-I134 WeakPolarHBondContact CA-O 3.41Å; S80-I134 VanDerWaalsContact CB-O 3.26Å; S80-I134 WeakPolarHBondContact CB-O 3.31Å |
| 81 | D | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 151.4 | 177.9 | -160.7 | -102.3 | 0 | 0 | 0 | 111.1 | G61 A83 N86 R87 I134 K135 C136 | G61-D81 VanDerWaalsContact CA-OD2 3.26Å; G61-D81 WeakPolarHBondContact CA-OD2 3.42Å; G61-D81 PolarHBondContact N-OD2 3.39Å; D81-A83 WeakPolarHBondContact OD1-CB 3.3Å; D81-A83 PolarHBondContact OD1-N 2.79Å; D81-N86 HydrophobicContact CB-CB 4.09Å; D81-N86 VanDerWaalsContact OD1-CB 3.22Å; D81-N86 WeakPolarHBondContact OD1-CB 3.25Å; D81-N86 PolarHBondContact OD1-ND2 2.78Å; D81-R87 HydrophobicContact CB-CG 3.98Å; D81-R87 WeakPolarHBondContact O-CD 3.35Å; D81-R87 PolarHBondContact O-NH1 3.11Å; D81-I134 PolarHBondContact N-O 2.91Å; D81-I134 VanDerWaalsContact N-O 3.1Å; D81-K135 WeakPolarHBondContact O-CA 3.48Å; D81-C136 PolarHBondContact O-N 3.1Å |
| 82 | Y | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 40.2 Ų | 40.2 | 38% | 0.384 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -71.2 | -42.6 | 177.3 | -176.7 | -111.2 | 0 | 0 | 0 | 111.9 | L13 R87 C136 D137 | L13-Y82 HydrophobicContact CD1-CD1 4.44Å; L13-Y82 HydrophobicContact CD1-CE1 3.53Å; L13-Y82 HydrophobicContact CD2-CD1 3.57Å; L13-Y82 HydrophobicContact CD2-CE1 3.51Å; L13-Y82 HydrophobicContact CG-CD1 4.05Å; L13-Y82 HydrophobicContact CG-CE1 3.57Å; Y82-R87 VanDerWaalsContact C-NH1 3.28Å; Y82-R87 PolarHBondContact O-NH1 2.92Å; Y82-C136 WeakPolarHBondContact CA-O 3.25Å; Y82-C136 VanDerWaalsContact CB-O 3.32Å; Y82-C136 WeakPolarHBondContact CB-O 3.26Å; Y82-C136 PolarHBondContact N-O 3.25Å; Y82-D137 HydrophobicContact CD2-CB 3.8Å; Y82-D137 HydrophobicContact CE2-CB 3.92Å; Y82-D137 WeakPolarHBondContact CE2-OD2 3.26Å |
| 83 | A | 97 | Very high | 98.1 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -82.2 | 134.9 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 D81 Q85 N86 R87 | L13-A83 HydrophobicContact CD2-CB 4.03Å; D81-A83 WeakPolarHBondContact OD1-CB 3.3Å; D81-A83 PolarHBondContact OD1-N 2.79Å; A83-Q85 HydrophobicContact CB-CG 4.45Å; A83-N86 HydrophobicContact CB-CB 4.33Å; A83-N86 PolarHBondContact O-N 3.15Å; A83-R87 VanDerWaalsContact C-NH1 3.31Å; A83-R87 PolarHBondContact O-N 2.85Å; A83-R87 PolarHBondContact O-NH1 2.82Å |
| 84 | E | 97.4 | Very high | 98.2 | Very high | 120 Ų | 120 | 38.4 Ų | 38.4 | 56% | 0.561 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -67.1 | -43.6 | -177.8 | -175.9 | 162.9 | -151.8 | 0 | 0 | 112.3 | N86 R87 E88 | E84-N86 PolarHBondContact O-N 3.21Å; E84-R87 VanDerWaalsContact CA-NH2 3.31Å; E84-R87 PolarHBondContact O-N 2.67Å; E84-E88 HydrophobicContact CG-CG 4.47Å; E84-E88 WeakPolarHBondContact O-CG 3.34Å; E84-E88 PolarHBondContact O-N 2.86Å |
| 85 | Q | 97.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -34.3 | 177.8 | 62.1 | -85.9 | 22.3 | 0 | 0 | 112.9 | Q12 L13 P18 A83 H89 | Q12-Q85 PolarHBondContact O-NE2 2.88Å; L13-Q85 PolarHBondContact O-NE2 2.93Å; P18-Q85 HydrophobicContact CG-CB 3.87Å; P18-Q85 HydrophobicContact CG-CG 3.63Å; A83-Q85 HydrophobicContact CB-CG 4.45Å; Q85-H89 PolarHBondContact O-N 3.07Å; Q85-H89 PolarHBondContact O-ND1 3.09Å |
| 86 | N | 98.1 | Very high | 98 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -48.4 | 174.7 | -76.8 | -18.5 | 0 | 0 | 0 | 111 | F16 P18 P62 D81 A83 E84 E88 H89 L90 | F16-N86 VanDerWaalsContact CE1-OD1 3.27Å; F16-N86 WeakPolarHBondContact CE1-OD1 3.33Å; P18-N86 WeakPolarHBondContact CB-OD1 3.31Å; P18-N86 WeakPolarHBondContact CG-OD1 3.32Å; P62-N86 WeakPolarHBondContact CD-OD1 3.47Å; D81-N86 HydrophobicContact CB-CB 4.09Å; D81-N86 VanDerWaalsContact OD1-CB 3.22Å; D81-N86 WeakPolarHBondContact OD1-CB 3.25Å; D81-N86 PolarHBondContact OD1-ND2 2.78Å; A83-N86 HydrophobicContact CB-CB 4.33Å; A83-N86 PolarHBondContact O-N 3.15Å; E84-N86 PolarHBondContact O-N 3.21Å; N86-E88 VanDerWaalsContact C-N 3.26Å; N86-E88 PolarHBondContact O-N 2.75Å; N86-H89 WeakPolarHBondContact O-CB 3.31Å; N86-H89 PolarHBondContact O-N 3.43Å; N86-L90 WeakPolarHBondContact O-CG 3.27Å; N86-L90 PolarHBondContact O-N 3.14Å |
| 87 | R | 98.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -35.1 | 177 | -64.6 | -167.8 | -55.5 | -78.6 | -4.8 | 112.6 | D81 Y82 A83 E84 L90 L91 I133 I134 | D81-R87 HydrophobicContact CB-CG 3.98Å; D81-R87 WeakPolarHBondContact O-CD 3.35Å; D81-R87 PolarHBondContact O-NH1 3.11Å; Y82-R87 VanDerWaalsContact C-NH1 3.28Å; Y82-R87 PolarHBondContact O-NH1 2.92Å; A83-R87 VanDerWaalsContact C-NH1 3.31Å; A83-R87 PolarHBondContact O-N 2.85Å; A83-R87 PolarHBondContact O-NH1 2.82Å; E84-R87 VanDerWaalsContact CA-NH2 3.31Å; E84-R87 PolarHBondContact O-N 2.67Å; R87-L90 PolarHBondContact O-N 3.41Å; R87-L91 WeakPolarHBondContact O-CB 3.33Å; R87-L91 VanDerWaalsContact O-CG 3.31Å; R87-L91 WeakPolarHBondContact O-CG 3.12Å; R87-L91 PolarHBondContact O-N 2.93Å; R87-I133 HydrophobicContact CB-CG2 3.78Å; R87-I133 HydrophobicContact CG-CG2 3.95Å; R87-I134 WeakPolarHBondContact CD-O 3.43Å |
| 88 | E | 98.1 | Very high | 97.7 | Very high | 103 Ų | 103 | 50.2 Ų | 50.2 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.2 | -71.9 | -178.2 | 170.3 | 0 | 0 | 112.2 | E84 N86 L91 L92 | E84-E88 HydrophobicContact CG-CG 4.47Å; E84-E88 WeakPolarHBondContact O-CG 3.34Å; E84-E88 PolarHBondContact O-N 2.86Å; N86-E88 VanDerWaalsContact C-N 3.26Å; N86-E88 PolarHBondContact O-N 2.75Å; E88-L91 WeakPolarHBondContact O-CB 3.47Å; E88-L91 PolarHBondContact O-N 3.44Å; E88-L92 WeakPolarHBondContact O-CG 3.12Å; E88-L92 PolarHBondContact O-N 3.2Å |
| 89 | H | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 57 Ų | 57 | 20% | 0.199 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 175.1 | -76.3 | 70.9 | 0 | 0 | 0 | 111.9 | P62 Q85 N86 L91 L92 W93 | P62-H89 HydrophobicContact CB-CB 3.89Å; Q85-H89 PolarHBondContact O-N 3.07Å; Q85-H89 PolarHBondContact O-ND1 3.09Å; N86-H89 WeakPolarHBondContact O-CB 3.31Å; N86-H89 PolarHBondContact O-N 3.43Å; H89-L91 VanDerWaalsContact C-N 3.32Å; H89-L91 PolarHBondContact O-N 3.29Å; H89-L92 PolarHBondContact O-N 2.78Å; H89-W93 WeakPolarHBondContact O-CB 3.26Å; H89-W93 PolarHBondContact O-N 3.38Å |
| 90 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 173.5 | -61.2 | 178 | 0 | 0 | 0 | 111.8 | G61 T63 V64 L79 N86 R87 W93 R94 I133 | G61-L90 WeakPolarHBondContact O-CD1 3.4Å; T63-L90 VanDerWaalsContact O-CD2 3.25Å; T63-L90 WeakPolarHBondContact O-CD2 3.36Å; V64-L90 HydrophobicContact CG1-CD2 3.74Å; L79-L90 HydrophobicContact CB-CD1 3.94Å; L79-L90 HydrophobicContact CD1-CD1 4.39Å; L79-L90 HydrophobicContact CD1-CD2 4.14Å; N86-L90 WeakPolarHBondContact O-CG 3.27Å; N86-L90 PolarHBondContact O-N 3.14Å; R87-L90 PolarHBondContact O-N 3.41Å; L90-W93 PolarHBondContact O-N 3.25Å; L90-R94 WeakPolarHBondContact O-CB 3.25Å; L90-R94 PolarHBondContact O-N 3.17Å; L90-I133 VanDerWaalsContact C-CD1 3.43Å; L90-I133 HydrophobicContact CB-CD1 3.75Å; L90-I133 HydrophobicContact CB-CG1 4.16Å; L90-I133 HydrophobicContact CB-CG2 4.08Å; L90-I133 HydrophobicContact CD1-CG2 4.07Å; L90-I133 WeakPolarHBondContact O-CD1 3.41Å |
| 91 | L | 98.2 | Very high | 97.1 | Very high | 69 Ų | 69 | 62.6 Ų | 62.6 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 177.1 | -78.3 | 164.7 | 0 | 0 | 0 | 111.4 | R87 E88 H89 R94 K95 I133 | R87-L91 WeakPolarHBondContact O-CB 3.33Å; R87-L91 VanDerWaalsContact O-CG 3.31Å; R87-L91 WeakPolarHBondContact O-CG 3.12Å; R87-L91 PolarHBondContact O-N 2.93Å; E88-L91 WeakPolarHBondContact O-CB 3.47Å; E88-L91 PolarHBondContact O-N 3.44Å; H89-L91 VanDerWaalsContact C-N 3.32Å; H89-L91 PolarHBondContact O-N 3.29Å; L91-R94 PolarHBondContact O-N 2.98Å; L91-K95 WeakPolarHBondContact O-CG 3.36Å; L91-K95 PolarHBondContact O-N 2.91Å; L91-K95 VanDerWaalsContact O-N 3.11Å; L91-I133 HydrophobicContact CB-CD1 4.28Å; L91-I133 HydrophobicContact CD2-CB 4.44Å; L91-I133 HydrophobicContact CD2-CD1 3.7Å; L91-I133 HydrophobicContact CG-CB 4.49Å; L91-I133 HydrophobicContact CG-CD1 3.76Å |
| 92 | L | 98 | Very high | 96.9 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 173.8 | -71.5 | 170.8 | 0 | 0 | 0 | 111 | E88 H89 R94 K95 G96 Q97 A98 | E88-L92 WeakPolarHBondContact O-CG 3.12Å; E88-L92 PolarHBondContact O-N 3.2Å; H89-L92 PolarHBondContact O-N 2.78Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 2.91Å; L92-K95 CarbonylContact O-C 3.59Å; L92-K95 PolarHBondContact O-N 3.31Å; L92-K95 VanDerWaalsContact O-N 3.1Å; L92-G96 PolarHBondContact O-N 2.82Å; L92-Q97 HydrophobicContact CB-CB 4.46Å; L92-Q97 HydrophobicContact CD2-CB 4.12Å; L92-Q97 CarbonylContact O-C 3.6Å; L92-Q97 WeakPolarHBondContact O-CA 3.09Å; L92-Q97 PolarHBondContact O-N 2.85Å; L92-A98 PolarHBondContact O-N 2.92Å |
| 93 | W | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 173.8 | 177.5 | 81.3 | 0 | 0 | 0 | 112.6 | V64 L79 H89 L90 K95 G96 A98 W102 E123 A126 R127 V130 | V64-W93 HydrophobicContact CB-CD2 4.1Å; V64-W93 HydrophobicContact CB-CE3 4.37Å; V64-W93 HydrophobicContact CB-CH2 4.2Å; V64-W93 HydrophobicContact CB-CZ2 3.94Å; V64-W93 HydrophobicContact CB-CZ3 4.41Å; V64-W93 HydrophobicContact CG1-CB 4.48Å; V64-W93 HydrophobicContact CG1-CD2 3.55Å; V64-W93 HydrophobicContact CG1-CE3 3.74Å; V64-W93 HydrophobicContact CG1-CG 3.86Å; V64-W93 HydrophobicContact CG1-CH2 4.46Å; V64-W93 HydrophobicContact CG1-CZ2 4.32Å; V64-W93 HydrophobicContact CG1-CZ3 4.19Å; V64-W93 HydrophobicContact CG2-CD2 4.21Å; V64-W93 HydrophobicContact CG2-CG 4.5Å; V64-W93 HydrophobicContact CG2-CZ2 3.88Å; L79-W93 HydrophobicContact CD1-CZ3 4.44Å; H89-W93 WeakPolarHBondContact O-CB 3.26Å; H89-W93 PolarHBondContact O-N 3.38Å; L90-W93 PolarHBondContact O-N 3.25Å; W93-K95 PolarHBondContact O-N 2.93Å; W93-G96 PolarHBondContact O-N 3.35Å; W93-A98 HydrophobicContact CB-CB 4Å; W93-A98 HydrophobicContact CG-CB 4.42Å; W93-W102 AromaticContact CD1-CD1 3.53Å; W93-W102 AromaticContact CD1-NE1 3.72Å; W93-W102 AromaticContact NE1-CD1 3.75Å; W93-E123 HydrophobicContact CZ2-CG 3.68Å; W93-E123 PolarHBondContact NE1-OE1 2.86Å; W93-A126 HydrophobicContact CH2-CB 4.03Å; W93-A126 HydrophobicContact CZ2-CB 4.41Å; W93-R127 HydrophobicContact CH2-CB 3.99Å; W93-R127 HydrophobicContact CZ2-CB 4.32Å; W93-R127 HydrophobicContact CZ3-CB 4.29Å; W93-R127 PolarHBondContact O-NE 2.88Å; W93-V130 HydrophobicContact CH2-CG2 4.48Å; W93-V130 HydrophobicContact CZ3-CG2 3.85Å |
| 94 | R | 97.4 | Very high | 96.4 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -30.7 | 176.7 | -173.4 | -177.3 | 179.4 | -167.7 | 4.3 | 112.7 | L90 L91 L92 G96 R127 V130 K131 I133 | L90-R94 WeakPolarHBondContact O-CB 3.25Å; L90-R94 PolarHBondContact O-N 3.17Å; L91-R94 PolarHBondContact O-N 2.98Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 2.91Å; R94-G96 VanDerWaalsContact C-N 3.35Å; R94-R127 WeakPolarHBondContact O-CD 3.21Å; R94-R127 VanDerWaalsContact O-CG 3.28Å; R94-R127 WeakPolarHBondContact O-CG 3.41Å; R94-V130 HydrophobicContact CG-CB 4.47Å; R94-V130 HydrophobicContact CG-CG1 4.42Å; R94-V130 VanDerWaalsContact CZ-O 3.31Å; R94-V130 PolarHBondContact NE-O 2.92Å; R94-V130 PolarHBondContact NH2-O 3.01Å; R94-K131 PolarHBondContact NH1-O 3.12Å; R94-K131 PolarHBondContact NH2-O 2.92Å; R94-K131 VanDerWaalsContact NH2-O 3.07Å; R94-I133 HydrophobicContact CB-CD1 4.17Å |
| 95 | K | 96.7 | Very high | 96.1 | Very high | 143 Ų | 143 | 58.4 Ų | 58.4 | 62% | 0.622 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -0.1 | 177.1 | -67.8 | 172.3 | -175.6 | 177.7 | 0 | 113.7 | L91 L92 W93 Q97 | L91-K95 WeakPolarHBondContact O-CG 3.36Å; L91-K95 PolarHBondContact O-N 2.91Å; L91-K95 VanDerWaalsContact O-N 3.11Å; L92-K95 CarbonylContact O-C 3.59Å; L92-K95 PolarHBondContact O-N 3.31Å; L92-K95 VanDerWaalsContact O-N 3.1Å; W93-K95 PolarHBondContact O-N 2.93Å; K95-Q97 VanDerWaalsContact C-N 3.32Å; K95-Q97 HydrophobicContact CB-CB 4.47Å; K95-Q97 HydrophobicContact CB-CG 4.12Å |
| 96 | G | 96 | Very high | 95.9 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 24.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L92 W93 R94 | L92-G96 PolarHBondContact O-N 2.82Å; W93-G96 PolarHBondContact O-N 3.35Å; R94-G96 VanDerWaalsContact C-N 3.35Å |
| 97 | Q | 96.7 | Very high | 95.6 | Very high | 117 Ų | 117 | 60.9 Ų | 60.9 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | trans | -118.9 | 19.8 | -174.6 | -62.8 | 174.7 | -17.8 | 0 | 0 | 112.2 | L92 K95 | L92-Q97 HydrophobicContact CB-CB 4.46Å; L92-Q97 HydrophobicContact CD2-CB 4.12Å; L92-Q97 CarbonylContact O-C 3.6Å; L92-Q97 WeakPolarHBondContact O-CA 3.09Å; L92-Q97 PolarHBondContact O-N 2.85Å; K95-Q97 VanDerWaalsContact C-N 3.32Å; K95-Q97 HydrophobicContact CB-CB 4.47Å; K95-Q97 HydrophobicContact CB-CG 4.12Å | ||
| 98 | A | 95.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | trans | -62.4 | 138.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L92 W93 | L92-A98 PolarHBondContact O-N 2.92Å; W93-A98 HydrophobicContact CB-CB 4Å; W93-A98 HydrophobicContact CG-CB 4.42Å | ||
| 99 | K | 94.6 | Very high | 94.9 | Very high | 166 Ų | 166 | 56.3 Ų | 56.3 | 72% | 0.722 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -80.9 | -24.5 | 173 | -66.6 | -177.6 | -179.7 | 175.1 | 0 | 112.9 | L19 | L19-K99 HydrophobicContact CD1-CB 4.29Å; L19-K99 HydrophobicContact CD2-CB 4.45Å; L19-K99 HydrophobicContact CD2-CD 4.28Å |
| 100 | F | 95 | Very high | 94.6 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 10% | 0.096 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -88.6 | 137.3 | 179.3 | -176.4 | -97.7 | 0 | 0 | 0 | 110.4 | L19 L22 W102 | L19-F100 HydrophobicContact CD1-CB 4.27Å; L22-F100 HydrophobicContact CB-CB 4.39Å; L22-F100 HydrophobicContact CB-CD1 4.46Å; L22-F100 HydrophobicContact CB-CD2 3.58Å; L22-F100 HydrophobicContact CB-CE2 3.9Å; L22-F100 HydrophobicContact CB-CG 3.88Å; L22-F100 HydrophobicContact CB-CZ 4.47Å; L22-F100 HydrophobicContact CD1-CB 3.68Å; L22-F100 HydrophobicContact CD1-CD1 4.37Å; L22-F100 HydrophobicContact CD1-CD2 4.42Å; L22-F100 HydrophobicContact CD1-CG 3.91Å; L22-F100 HydrophobicContact CG-CG 4.4Å; L22-F100 VanDerWaalsContact O-CE2 3.25Å; L22-F100 WeakPolarHBondContact O-CE2 3.43Å; F100-W102 AromaticContact CD1-CD2 3.73Å; F100-W102 HydrophobicContact CD1-CD2 3.73Å; F100-W102 AromaticContact CD1-CE2 3.54Å; F100-W102 HydrophobicContact CD1-CE3 4.26Å; F100-W102 HydrophobicContact CD1-CG 4.04Å; F100-W102 HydrophobicContact CD1-CH2 4.37Å; F100-W102 AromaticContact CD1-CZ2 3.89Å; F100-W102 HydrophobicContact CD1-CZ2 3.89Å; F100-W102 AromaticContact CD1-NE1 3.76Å; F100-W102 AromaticContact CE1-CD2 3.9Å; F100-W102 HydrophobicContact CE1-CD2 3.9Å; F100-W102 AromaticContact CE1-CE3 3.97Å; F100-W102 HydrophobicContact CE1-CE3 3.97Å; F100-W102 HydrophobicContact CE1-CG 4.43Å; F100-W102 HydrophobicContact CE1-CH2 4.27Å; F100-W102 HydrophobicContact CE1-CZ2 4.25Å; F100-W102 HydrophobicContact CE1-CZ3 4.16Å; F100-W102 PolarHBondContact O-N 2.71Å |
| 101 | N | 94 | Very high | 94.3 | Very high | 94 Ų | 94 | 57.9 Ų | 57.9 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | trans | -86.4 | 105.7 | 179.8 | 179.2 | 15.6 | 0 | 0 | 0 | 110.6 | N103 | N101-N103 VanDerWaalsContact C-N 3.33Å; N101-N103 WeakPolarHBondContact OD1-CB 3.09Å; N101-N103 PolarHBondContact OD1-N 2.79Å; N101-N103 PolarHBondContact OD1-ND2 2.9Å; N101-N103 PolarHBondContact OD1-OD1 2.94Å | ||
| 102 | W | 93.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.019 | 31% | 0.312 | C | S | . | . | trans | -82.8 | -4.5 | 178.4 | -70.8 | 102.3 | 0 | 0 | 0 | 114.3 | L22 Y26 T63 V64 M68 W93 F100 I105 A106 | L22-W102 HydrophobicContact CD1-CZ2 4.32Å; L22-W102 HydrophobicContact CD2-CH2 3.62Å; L22-W102 HydrophobicContact CD2-CZ2 3.58Å; Y26-W102 HydrophobicContact CD1-CZ3 4.41Å; T63-W102 HydrophobicContact CG2-CH2 4.38Å; V64-W102 HydrophobicContact CG2-CD2 3.49Å; V64-W102 VanDerWaalsContact CG2-CD2 3.49Å; V64-W102 VanDerWaalsContact CG2-CE2 3.47Å; V64-W102 HydrophobicContact CG2-CE3 3.88Å; V64-W102 HydrophobicContact CG2-CG 3.9Å; V64-W102 HydrophobicContact CG2-CH2 4.28Å; V64-W102 HydrophobicContact CG2-CZ2 3.9Å; V64-W102 HydrophobicContact CG2-CZ3 4.25Å; M68-W102 HydrophobicContact CE-CB 4.41Å; M68-W102 HydrophobicContact CE-CD2 4.39Å; M68-W102 HydrophobicContact CE-CE3 3.82Å; W93-W102 AromaticContact CD1-CD1 3.53Å; W93-W102 AromaticContact CD1-NE1 3.72Å; W93-W102 AromaticContact NE1-CD1 3.75Å; F100-W102 AromaticContact CD1-CD2 3.73Å; F100-W102 HydrophobicContact CD1-CD2 3.73Å; F100-W102 AromaticContact CD1-CE2 3.54Å; F100-W102 HydrophobicContact CD1-CE3 4.26Å; F100-W102 HydrophobicContact CD1-CG 4.04Å; F100-W102 HydrophobicContact CD1-CH2 4.37Å; F100-W102 AromaticContact CD1-CZ2 3.89Å; F100-W102 HydrophobicContact CD1-CZ2 3.89Å; F100-W102 AromaticContact CD1-NE1 3.76Å; F100-W102 AromaticContact CE1-CD2 3.9Å; F100-W102 HydrophobicContact CE1-CD2 3.9Å; F100-W102 AromaticContact CE1-CE3 3.97Å; F100-W102 HydrophobicContact CE1-CE3 3.97Å; F100-W102 HydrophobicContact CE1-CG 4.43Å; F100-W102 HydrophobicContact CE1-CH2 4.27Å; F100-W102 HydrophobicContact CE1-CZ2 4.25Å; F100-W102 HydrophobicContact CE1-CZ3 4.16Å; F100-W102 PolarHBondContact O-N 2.71Å; W102-I105 HydrophobicContact CE3-CB 4.28Å; W102-I105 HydrophobicContact CE3-CD1 3.64Å; W102-I105 HydrophobicContact CE3-CG1 4.49Å; W102-I105 HydrophobicContact CE3-CG2 4.45Å; W102-I105 HydrophobicContact CZ3-CD1 3.52Å; W102-I105 PolarHBondContact O-N 2.72Å; W102-I105 VanDerWaalsContact O-N 3.09Å; W102-A106 PolarHBondContact O-N 3.03Å | ||
| 103 | N | 93.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.8 | -45.4 | -174.4 | -65.2 | -6.9 | 0 | 0 | 0 | 113.9 | N101 I105 A106 E107 W119 | N101-N103 VanDerWaalsContact C-N 3.33Å; N101-N103 WeakPolarHBondContact OD1-CB 3.09Å; N101-N103 PolarHBondContact OD1-N 2.79Å; N101-N103 PolarHBondContact OD1-ND2 2.9Å; N101-N103 PolarHBondContact OD1-OD1 2.94Å; N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 3.05Å; N103-A106 WeakPolarHBondContact O-CB 3.44Å; N103-A106 PolarHBondContact O-N 2.99Å; N103-E107 WeakPolarHBondContact O-CB 3.49Å; N103-E107 PolarHBondContact O-N 3.44Å; N103-W119 HydrophobicContact CB-CE3 4.35Å; N103-W119 HydrophobicContact CB-CH2 4.03Å; N103-W119 HydrophobicContact CB-CZ3 3.58Å; N103-W119 VanDerWaalsContact CG-CZ3 3.45Å |
| 104 | P | 91 | Very high | 93.2 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -36.1 | 179.2 | -24.2 | 35.6 | 0 | 0 | 0 | 113 | A108 | P104-A108 WeakPolarHBondContact O-CB 3.4Å; P104-A108 PolarHBondContact O-N 2.81Å |
| 105 | I | 91 | Very high | 92.8 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.6 | -39.9 | 177.9 | -64.5 | 174.2 | 0 | 0 | 0 | 110.3 | Y26 M31 I39 M68 W102 N103 E107 A108 I109 | Y26-I105 HydrophobicContact CD1-CD1 3.88Å; Y26-I105 HydrophobicContact CG-CD1 4.42Å; M31-I105 HydrophobicContact CE-CD1 4.44Å; M31-I105 HydrophobicContact CE-CG1 4.29Å; I39-I105 HydrophobicContact CD1-CD1 4.47Å; I39-I105 HydrophobicContact CD1-CG2 4.29Å; M68-I105 HydrophobicContact CE-CB 4.19Å; M68-I105 HydrophobicContact CE-CG2 3.6Å; W102-I105 HydrophobicContact CE3-CB 4.28Å; W102-I105 HydrophobicContact CE3-CD1 3.64Å; W102-I105 HydrophobicContact CE3-CG1 4.49Å; W102-I105 HydrophobicContact CE3-CG2 4.45Å; W102-I105 HydrophobicContact CZ3-CD1 3.52Å; W102-I105 PolarHBondContact O-N 2.72Å; W102-I105 VanDerWaalsContact O-N 3.09Å; N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 3.05Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 2.66Å; I105-A108 PolarHBondContact O-N 2.85Å; I105-I109 HydrophobicContact CG2-CD1 3.9Å; I105-I109 HydrophobicContact CG2-CG1 4.45Å; I105-I109 WeakPolarHBondContact O-CB 3.36Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.37Å; I105-I109 PolarHBondContact O-N 2.89Å |
| 106 | A | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M68 W102 N103 I109 A110 W119 V122 | M68-A106 HydrophobicContact SD-CB 4.09Å; W102-A106 PolarHBondContact O-N 3.03Å; N103-A106 WeakPolarHBondContact O-CB 3.44Å; N103-A106 PolarHBondContact O-N 2.99Å; A106-I109 PolarHBondContact O-N 3.14Å; A106-A110 WeakPolarHBondContact O-CB 3.31Å; A106-A110 PolarHBondContact O-N 2.8Å; A106-W119 HydrophobicContact CB-CE3 4.49Å; A106-V122 HydrophobicContact CB-CB 4.05Å; A106-V122 HydrophobicContact CB-CG1 4.14Å |
| 107 | E | 92.4 | Very high | 92 | Very high | 96 Ų | 96 | 58.8 Ų | 58.8 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 175.2 | -174.3 | 174.1 | -163.7 | 0 | 0 | 112.1 | N103 I105 A110 T111 W119 | N103-E107 WeakPolarHBondContact O-CB 3.49Å; N103-E107 PolarHBondContact O-N 3.44Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 2.66Å; E107-A110 PolarHBondContact O-N 2.62Å; E107-T111 VanDerWaalsContact O-CB 3.28Å; E107-T111 WeakPolarHBondContact O-CB 3.47Å; E107-T111 PolarHBondContact O-N 2.82Å; E107-T111 PolarHBondContact O-OG1 3.38Å; E107-W119 HydrophobicContact CB-CB 4.1Å; E107-W119 HydrophobicContact CB-CD2 4.33Å; E107-W119 HydrophobicContact CB-CG 4.05Å; E107-W119 HydrophobicContact CG-CB 4.47Å; E107-W119 HydrophobicContact CG-CG 4.24Å |
| 108 | A | 89.6 | Confident | 91.7 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P104 I105 T111 L112 | P104-A108 WeakPolarHBondContact O-CB 3.4Å; P104-A108 PolarHBondContact O-N 2.81Å; I105-A108 PolarHBondContact O-N 2.85Å; A108-T111 PolarHBondContact O-N 2.83Å; A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 WeakPolarHBondContact O-CD1 3.36Å; A108-L112 VanDerWaalsContact O-CG 3.26Å; A108-L112 WeakPolarHBondContact O-CG 3.27Å; A108-L112 PolarHBondContact O-N 3.07Å |
| 109 | I | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 177.2 | -70.8 | 169.2 | 0 | 0 | 0 | 110.6 | I39 M68 I105 A106 T111 L112 E113 V122 | I39-I109 HydrophobicContact CG2-CG1 4.37Å; M68-I109 HydrophobicContact CB-CD1 3.63Å; M68-I109 HydrophobicContact CE-CD1 4.1Å; I105-I109 HydrophobicContact CG2-CD1 3.9Å; I105-I109 HydrophobicContact CG2-CG1 4.45Å; I105-I109 WeakPolarHBondContact O-CB 3.36Å; I105-I109 VanDerWaalsContact O-CG1 3.28Å; I105-I109 WeakPolarHBondContact O-CG1 3.37Å; I105-I109 PolarHBondContact O-N 2.89Å; A106-I109 PolarHBondContact O-N 3.14Å; I109-T111 VanDerWaalsContact C-N 3.29Å; I109-T111 PolarHBondContact O-N 3.43Å; I109-L112 PolarHBondContact O-N 3.33Å; I109-E113 HydrophobicContact CG2-CG 4.46Å; I109-E113 VanDerWaalsContact CG2-OE1 3.31Å; I109-E113 WeakPolarHBondContact CG2-OE1 3.49Å; I109-E113 WeakPolarHBondContact O-CB 3.4Å; I109-E113 VanDerWaalsContact O-CG 3.27Å; I109-E113 WeakPolarHBondContact O-CG 3.26Å; I109-E113 PolarHBondContact O-N 3.47Å; I109-V122 HydrophobicContact CG2-CG1 4.46Å |
| 110 | A | 92.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A106 E107 E113 G114 N115 A116 W119 V122 | A106-A110 WeakPolarHBondContact O-CB 3.31Å; A106-A110 PolarHBondContact O-N 2.8Å; E107-A110 PolarHBondContact O-N 2.62Å; A110-E113 PolarHBondContact O-N 3.35Å; A110-G114 PolarHBondContact O-N 2.98Å; A110-N115 CarbonylContact O-C 3.54Å; A110-N115 VanDerWaalsContact O-C 3.3Å; A110-N115 WeakPolarHBondContact O-CA 3.34Å; A110-N115 PolarHBondContact O-N 2.87Å; A110-A116 PolarHBondContact O-N 3.33Å; A110-W119 HydrophobicContact CB-CB 3.69Å; A110-V122 HydrophobicContact CB-CG2 3.93Å |
| 111 | T | 91.2 | Very high | 91.6 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 177.1 | -61 | 0 | 0 | 0 | 0 | 111.3 | E107 A108 I109 E113 G114 | E107-T111 VanDerWaalsContact O-CB 3.28Å; E107-T111 WeakPolarHBondContact O-CB 3.47Å; E107-T111 PolarHBondContact O-N 2.82Å; E107-T111 PolarHBondContact O-OG1 3.38Å; A108-T111 PolarHBondContact O-N 2.83Å; I109-T111 VanDerWaalsContact C-N 3.29Å; I109-T111 PolarHBondContact O-N 3.43Å; T111-E113 PolarHBondContact O-N 2.89Å; T111-G114 PolarHBondContact O-N 3.08Å |
| 112 | L | 89.8 | Confident | 91.7 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -25.4 | 177.7 | -70.6 | 166.8 | 0 | 0 | 0 | 113 | P43 A108 I109 G114 | P43-L112 HydrophobicContact CB-CB 4.17Å; P43-L112 HydrophobicContact CG-CB 3.62Å; P43-L112 HydrophobicContact CG-CD1 4.23Å; A108-L112 WeakPolarHBondContact O-CB 3.46Å; A108-L112 WeakPolarHBondContact O-CD1 3.36Å; A108-L112 VanDerWaalsContact O-CG 3.26Å; A108-L112 WeakPolarHBondContact O-CG 3.27Å; A108-L112 PolarHBondContact O-N 3.07Å; I109-L112 PolarHBondContact O-N 3.33Å; L112-G114 VanDerWaalsContact C-N 3.25Å |
| 113 | E | 90.7 | Very high | 91.8 | Very high | 46 Ų | 46 | 55 Ų | 55 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4 | 171.5 | -70.6 | 171.8 | 177.8 | 0 | 0 | 113.5 | P43 R71 I109 A110 T111 N115 | P43-E113 HydrophobicContact CB-CG 4.07Å; P43-E113 HydrophobicContact CG-CG 4.21Å; R71-E113 IonicContact CZ-OE1 3.35Å; R71-E113 IonicContact CZ-OE2 3.85Å; R71-E113 VanDerWaalsContact NH1-CD 3.35Å; R71-E113 IonicContact NH1-OE1 3.2Å; R71-E113 PolarHBondContact NH1-OE1 3.06Å; R71-E113 IonicContact NH1-OE2 3.1Å; R71-E113 PolarHBondContact NH1-OE2 3.3Å; R71-E113 VanDerWaalsContact NH1-OE2 3.14Å; R71-E113 IonicContact NH2-OE1 2.66Å; R71-E113 IonicContact NH2-OE2 2.82Å; R71-E113 PolarHBondContact NH2-OE2 3.38Å; I109-E113 HydrophobicContact CG2-CG 4.46Å; I109-E113 VanDerWaalsContact CG2-OE1 3.31Å; I109-E113 WeakPolarHBondContact CG2-OE1 3.49Å; I109-E113 WeakPolarHBondContact O-CB 3.4Å; I109-E113 VanDerWaalsContact O-CG 3.27Å; I109-E113 WeakPolarHBondContact O-CG 3.26Å; I109-E113 PolarHBondContact O-N 3.47Å; A110-E113 PolarHBondContact O-N 3.35Å; T111-E113 PolarHBondContact O-N 2.89Å; E113-N115 VanDerWaalsContact C-N 3.33Å; E113-N115 PolarHBondContact O-ND2 3.48Å |
| 114 | G | 90.9 | Very high | 92 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 66% | 0.66 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 13.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A110 T111 L112 | A110-G114 PolarHBondContact O-N 2.98Å; T111-G114 PolarHBondContact O-N 3.08Å; L112-G114 VanDerWaalsContact C-N 3.25Å |
| 115 | N | 90.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | trans | -123.9 | 42.1 | -175 | -63.4 | -48.1 | 0 | 0 | 0 | 112 | A110 E113 C117 E118 | A110-N115 CarbonylContact O-C 3.54Å; A110-N115 VanDerWaalsContact O-C 3.3Å; A110-N115 WeakPolarHBondContact O-CA 3.34Å; A110-N115 PolarHBondContact O-N 2.87Å; E113-N115 VanDerWaalsContact C-N 3.33Å; E113-N115 PolarHBondContact O-ND2 3.48Å; N115-C117 PolarHBondContact O-N 2.96Å; N115-E118 PolarHBondContact O-N 2.96Å | ||
| 116 | A | 85.8 | Confident | 92.6 | Very high | 44 Ų | 44 | 54 Ų | 54 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -50.6 | -32.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A110 E118 W119 | A110-A116 PolarHBondContact O-N 3.33Å; A116-E118 PolarHBondContact O-N 3.22Å; A116-W119 VanDerWaalsContact O-CD1 3.27Å |
| 117 | C | 88.9 | Confident | 92.8 | Very high | 120 Ų | 120 | 56.1 Ų | 56.1 | 81% | 0.811 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -68.2 | -15 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 114.9 | N115 Q120 | N115-C117 PolarHBondContact O-N 2.96Å; C117-Q120 PolarHBondContact O-OE1 2.86Å |
| 118 | E | 90.8 | Very high | 93.1 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 55% | 0.547 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -107 | 14 | -174.5 | -60.6 | -167.3 | 163.3 | 0 | 0 | 113.4 | N115 A116 Q120 S121 | N115-E118 PolarHBondContact O-N 2.96Å; A116-E118 PolarHBondContact O-N 3.22Å; E118-Q120 PolarHBondContact O-N 2.88Å; E118-Q120 VanDerWaalsContact O-N 3.11Å; E118-S121 WeakPolarHBondContact O-CB 3.31Å; E118-S121 PolarHBondContact O-N 2.87Å; E118-S121 PolarHBondContact O-OG 3.25Å |
| 119 | W | 93.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 55.6 Ų | 55.6 | 22% | 0.22 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.1 | -32 | -174.1 | 72.1 | -105 | 0 | 0 | 0 | 113.6 | N103 A106 E107 A110 A116 S121 V122 | N103-W119 HydrophobicContact CB-CE3 4.35Å; N103-W119 HydrophobicContact CB-CH2 4.03Å; N103-W119 HydrophobicContact CB-CZ3 3.58Å; N103-W119 VanDerWaalsContact CG-CZ3 3.45Å; A106-W119 HydrophobicContact CB-CE3 4.49Å; E107-W119 HydrophobicContact CB-CB 4.1Å; E107-W119 HydrophobicContact CB-CD2 4.33Å; E107-W119 HydrophobicContact CB-CG 4.05Å; E107-W119 HydrophobicContact CG-CB 4.47Å; E107-W119 HydrophobicContact CG-CG 4.24Å; A110-W119 HydrophobicContact CB-CB 3.69Å; A116-W119 VanDerWaalsContact O-CD1 3.27Å; W119-S121 PolarHBondContact O-N 3.02Å; W119-V122 VanDerWaalsContact O-CB 3.31Å; W119-V122 WeakPolarHBondContact O-CB 3.37Å; W119-V122 WeakPolarHBondContact O-CG2 3.43Å; W119-V122 PolarHBondContact O-N 2.93Å; W119-V122 VanDerWaalsContact O-N 3.11Å |
| 120 | Q | 93.9 | Very high | 93.8 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -25.5 | 179.1 | -61.6 | 87.2 | -18.3 | 0 | 0 | 112.6 | C117 E118 | C117-Q120 PolarHBondContact O-OE1 2.86Å; E118-Q120 PolarHBondContact O-N 2.88Å; E118-Q120 VanDerWaalsContact O-N 3.11Å |
| 121 | S | 95.7 | Very high | 94.1 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 32% | 0.315 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -83.3 | -22.7 | 178.5 | 77.4 | 0 | 0 | 0 | 0 | 112.9 | E118 W119 E123 T124 V125 | E118-S121 WeakPolarHBondContact O-CB 3.31Å; E118-S121 PolarHBondContact O-N 2.87Å; E118-S121 PolarHBondContact O-OG 3.25Å; W119-S121 PolarHBondContact O-N 3.02Å; S121-E123 PolarHBondContact O-N 3.32Å; S121-T124 PolarHBondContact O-N 2.95Å; S121-T124 VanDerWaalsContact O-N 3.14Å; S121-V125 WeakPolarHBondContact O-CB 3.34Å; S121-V125 WeakPolarHBondContact O-CG2 3.5Å; S121-V125 PolarHBondContact O-N 2.91Å |
| 122 | V | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -54 | -54.5 | -171.3 | 173 | 0 | 0 | 0 | 0 | 111.3 | M68 R71 A106 I109 A110 W119 A126 | M68-V122 HydrophobicContact CB-CG1 3.68Å; M68-V122 HydrophobicContact CG-CG1 3.91Å; M68-V122 HydrophobicContact SD-CG1 4.01Å; R71-V122 VanDerWaalsContact CD-O 3.23Å; R71-V122 WeakPolarHBondContact CD-O 3.33Å; A106-V122 HydrophobicContact CB-CB 4.05Å; A106-V122 HydrophobicContact CB-CG1 4.14Å; I109-V122 HydrophobicContact CG2-CG1 4.46Å; A110-V122 HydrophobicContact CB-CG2 3.93Å; W119-V122 VanDerWaalsContact O-CB 3.31Å; W119-V122 WeakPolarHBondContact O-CB 3.37Å; W119-V122 WeakPolarHBondContact O-CG2 3.43Å; W119-V122 PolarHBondContact O-N 2.93Å; W119-V122 VanDerWaalsContact O-N 3.11Å; V122-A126 WeakPolarHBondContact O-CB 3.47Å; V122-A126 PolarHBondContact O-N 3.49Å |
| 123 | E | 96.1 | Very high | 94.9 | Very high | 31 Ų | 31 | 55 Ų | 55 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.9 | -41.7 | -178.2 | -163.8 | -164 | -160.5 | 0 | 0 | 111.1 | M68 W93 S121 A126 R127 | M68-E123 HydrophobicContact SD-CB 4.33Å; M68-E123 HydrophobicContact SD-CG 4.41Å; W93-E123 HydrophobicContact CZ2-CG 3.68Å; W93-E123 PolarHBondContact NE1-OE1 2.86Å; S121-E123 PolarHBondContact O-N 3.32Å; E123-A126 PolarHBondContact O-N 3.02Å; E123-R127 WeakPolarHBondContact O-CB 3.33Å; E123-R127 PolarHBondContact O-N 3.22Å; E123-R127 IonicContact OE1-NH2 2.88Å; E123-R127 PolarHBondContact OE1-NH2 2.93Å; E123-R127 VanDerWaalsContact OE1-NH2 3.1Å; E123-R127 IonicContact OE2-CZ 3.96Å; E123-R127 IonicContact OE2-NH2 3.77Å; E123-R127 PolarHBondContact OE2-NH2 2.93Å |
| 124 | T | 96.5 | Very high | 95.3 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | S121 S128 | S121-T124 PolarHBondContact O-N 2.95Å; S121-T124 VanDerWaalsContact O-N 3.14Å; T124-S128 PolarHBondContact O-N 3.37Å |
| 125 | V | 97.5 | Very high | 95.6 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | R71 S121 R127 S128 K129 | R71-V125 HydrophobicContact CB-CG1 4.31Å; R71-V125 HydrophobicContact CG-CG1 4.14Å; S121-V125 WeakPolarHBondContact O-CB 3.34Å; S121-V125 WeakPolarHBondContact O-CG2 3.5Å; S121-V125 PolarHBondContact O-N 2.91Å; V125-R127 PolarHBondContact O-N 3.13Å; V125-S128 PolarHBondContact O-N 2.73Å; V125-S128 PolarHBondContact O-OG 3.32Å; V125-K129 WeakPolarHBondContact O-CG 3.17Å; V125-K129 PolarHBondContact O-N 3.08Å |
| 126 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A67 M68 R71 W93 V122 E123 S128 K129 V130 | A67-A126 HydrophobicContact CB-CB 4.42Å; M68-A126 HydrophobicContact CG-CB 4.1Å; R71-A126 HydrophobicContact CB-CB 4.03Å; W93-A126 HydrophobicContact CH2-CB 4.03Å; W93-A126 HydrophobicContact CZ2-CB 4.41Å; V122-A126 WeakPolarHBondContact O-CB 3.47Å; V122-A126 PolarHBondContact O-N 3.49Å; E123-A126 PolarHBondContact O-N 3.02Å; A126-S128 PolarHBondContact O-N 3.07Å; A126-K129 PolarHBondContact O-N 3.16Å; A126-V130 PolarHBondContact O-N 3.44Å |
| 127 | R | 97.6 | Very high | 96.6 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -44 | 179.1 | -173.8 | -175.1 | -64.8 | 122.9 | 1.2 | 112.6 | W93 R94 E123 V125 K129 V130 | W93-R127 HydrophobicContact CH2-CB 3.99Å; W93-R127 HydrophobicContact CZ2-CB 4.32Å; W93-R127 HydrophobicContact CZ3-CB 4.29Å; W93-R127 PolarHBondContact O-NE 2.88Å; R94-R127 WeakPolarHBondContact O-CD 3.21Å; R94-R127 VanDerWaalsContact O-CG 3.28Å; R94-R127 WeakPolarHBondContact O-CG 3.41Å; E123-R127 WeakPolarHBondContact O-CB 3.33Å; E123-R127 PolarHBondContact O-N 3.22Å; E123-R127 IonicContact OE1-NH2 2.88Å; E123-R127 PolarHBondContact OE1-NH2 2.93Å; E123-R127 VanDerWaalsContact OE1-NH2 3.1Å; E123-R127 IonicContact OE2-CZ 3.96Å; E123-R127 IonicContact OE2-NH2 3.77Å; E123-R127 PolarHBondContact OE2-NH2 2.93Å; V125-R127 PolarHBondContact O-N 3.13Å; R127-K129 PolarHBondContact O-N 3.17Å; R127-V130 PolarHBondContact O-N 3.12Å |
| 128 | S | 97.8 | Very high | 97 | Very high | 85 Ų | 85 | 47 Ų | 47 | 59% | 0.594 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.5 | -24.5 | -178.8 | 76 | 0 | 0 | 0 | 0 | 113.1 | T124 V125 A126 | T124-S128 PolarHBondContact O-N 3.37Å; V125-S128 PolarHBondContact O-N 2.73Å; V125-S128 PolarHBondContact O-OG 3.32Å; A126-S128 PolarHBondContact O-N 3.07Å |
| 129 | K | 98.5 | Very high | 97.3 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -86.1 | -13.8 | 177.6 | -66.9 | -174.5 | 172.8 | -164.4 | 0 | 113.8 | R71 V74 I77 V125 A126 R127 K131 | R71-K129 WeakPolarHBondContact O-CD 3.33Å; R71-K129 WeakPolarHBondContact O-CE 3.49Å; R71-K129 PolarHBondContact O-NZ 3.39Å; V74-K129 WeakPolarHBondContact O-CD 3.22Å; V74-K129 WeakPolarHBondContact O-CE 3.21Å; V74-K129 PolarHBondContact O-NZ 3.45Å; I77-K129 HydrophobicContact CD1-CB 3.89Å; I77-K129 HydrophobicContact CG1-CB 3.98Å; I77-K129 PolarHBondContact N-O 3.41Å; V125-K129 WeakPolarHBondContact O-CG 3.17Å; V125-K129 PolarHBondContact O-N 3.08Å; A126-K129 PolarHBondContact O-N 3.16Å; R127-K129 PolarHBondContact O-N 3.17Å; K129-K131 PolarHBondContact O-N 3.06Å |
| 130 | V | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 115.4 | 177 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | I77 L79 W93 R94 A126 R127 I133 | I77-V130 HydrophobicContact CB-CG2 4.16Å; I77-V130 HydrophobicContact CG2-CG2 4.04Å; I77-V130 CarbonylContact O-C 3.56Å; I77-V130 WeakPolarHBondContact O-CA 3.49Å; L79-V130 HydrophobicContact CD1-CG2 4.24Å; L79-V130 HydrophobicContact CG-CG2 4.49Å; W93-V130 HydrophobicContact CH2-CG2 4.48Å; W93-V130 HydrophobicContact CZ3-CG2 3.85Å; R94-V130 HydrophobicContact CG-CB 4.47Å; R94-V130 HydrophobicContact CG-CG1 4.42Å; R94-V130 VanDerWaalsContact CZ-O 3.31Å; R94-V130 PolarHBondContact NE-O 2.92Å; R94-V130 PolarHBondContact NH2-O 3.01Å; A126-V130 PolarHBondContact O-N 3.44Å; R127-V130 PolarHBondContact O-N 3.12Å; V130-I133 HydrophobicContact CG1-CG1 4.26Å |
| 131 | K | 98.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 45.5 Ų | 45.5 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -43.4 | 178.3 | -61.3 | -53.1 | -177.4 | -173.7 | 0 | 112.1 | S76 I77 Y78 R94 K129 | S76-K131 VanDerWaalsContact OG-CE 3.25Å; S76-K131 WeakPolarHBondContact OG-CE 3.3Å; I77-K131 PolarHBondContact O-N 3.36Å; Y78-K131 HydrophobicContact CD1-CB 4.42Å; Y78-K131 HydrophobicContact CE1-CB 3.87Å; Y78-K131 HydrophobicContact CE2-CB 4.45Å; R94-K131 PolarHBondContact NH1-O 3.12Å; R94-K131 PolarHBondContact NH2-O 2.92Å; R94-K131 VanDerWaalsContact NH2-O 3.07Å; K129-K131 PolarHBondContact O-N 3.06Å |
| 132 | A | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 155.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y78 L79 I134 Y148 | Y78-A132 HydrophobicContact CD1-CB 3.97Å; Y78-A132 HydrophobicContact CE1-CB 4.26Å; L79-A132 PolarHBondContact N-O 2.84Å; L79-A132 VanDerWaalsContact N-O 3.08Å; A132-I134 HydrophobicContact CB-CD1 4.11Å; A132-I134 HydrophobicContact CB-CG1 3.8Å; A132-Y148 HydrophobicContact CB-CE2 4.42Å; A132-Y148 WeakPolarHBondContact CB-OH 3.38Å |
| 133 | I | 98.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 14% | 0.144 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.4 | 168.2 | -66.7 | 158.5 | 0 | 0 | 0 | 105.5 | L79 R87 L90 L91 R94 V130 | L79-I133 HydrophobicContact CB-CG1 4.26Å; L79-I133 CarbonylContact O-C 3.55Å; L79-I133 VanDerWaalsContact O-CA 3.27Å; L79-I133 WeakPolarHBondContact O-CA 3.12Å; R87-I133 HydrophobicContact CB-CG2 3.78Å; R87-I133 HydrophobicContact CG-CG2 3.95Å; L90-I133 VanDerWaalsContact C-CD1 3.43Å; L90-I133 HydrophobicContact CB-CD1 3.75Å; L90-I133 HydrophobicContact CB-CG1 4.16Å; L90-I133 HydrophobicContact CB-CG2 4.08Å; L90-I133 HydrophobicContact CD1-CG2 4.07Å; L90-I133 WeakPolarHBondContact O-CD1 3.41Å; L91-I133 HydrophobicContact CB-CD1 4.28Å; L91-I133 HydrophobicContact CD2-CB 4.44Å; L91-I133 HydrophobicContact CD2-CD1 3.7Å; L91-I133 HydrophobicContact CG-CB 4.49Å; L91-I133 HydrophobicContact CG-CD1 3.76Å; R94-I133 HydrophobicContact CB-CD1 4.17Å; V130-I133 HydrophobicContact CG1-CG1 4.26Å |
| 134 | I | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.2 | -161.2 | -53 | 167.4 | 0 | 0 | 0 | 109.7 | Y78 L79 S80 D81 R87 A132 C136 L144 P145 Y148 | Y78-I134 HydrophobicContact CD1-CD1 3.87Å; L79-I134 PolarHBondContact O-N 3.29Å; S80-I134 WeakPolarHBondContact CA-O 3.41Å; S80-I134 VanDerWaalsContact CB-O 3.26Å; S80-I134 WeakPolarHBondContact CB-O 3.31Å; D81-I134 PolarHBondContact N-O 2.91Å; D81-I134 VanDerWaalsContact N-O 3.1Å; R87-I134 WeakPolarHBondContact CD-O 3.43Å; A132-I134 HydrophobicContact CB-CD1 4.11Å; A132-I134 HydrophobicContact CB-CG1 3.8Å; I134-C136 PolarHBondContact O-N 2.97Å; I134-L144 HydrophobicContact CG2-CD2 4.02Å; I134-P145 HydrophobicContact CG2-CG 4.04Å; I134-Y148 HydrophobicContact CD1-CD1 4.12Å; I134-Y148 HydrophobicContact CD1-CD2 3.58Å; I134-Y148 HydrophobicContact CD1-CE1 4.28Å; I134-Y148 HydrophobicContact CD1-CE2 3.75Å; I134-Y148 HydrophobicContact CD1-CG 3.77Å; I134-Y148 HydrophobicContact CG1-CD2 3.99Å; I134-Y148 HydrophobicContact CG1-CE2 3.89Å; I134-Y148 HydrophobicContact CG2-CD2 4.05Å |
| 135 | K | 98.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 45.2 Ų | 45.2 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 123.6 | 165.6 | -179 | 179.1 | 178.8 | -179.9 | 0 | 108.7 | D81 P145 | D81-K135 WeakPolarHBondContact O-CA 3.48Å; K135-P145 WeakPolarHBondContact O-CD 3.44Å |
| 136 | C | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | trans | -124.5 | 131.3 | 175.8 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | D81 Y82 I134 C143 L144 | D81-C136 PolarHBondContact O-N 3.1Å; Y82-C136 WeakPolarHBondContact CA-O 3.25Å; Y82-C136 VanDerWaalsContact CB-O 3.32Å; Y82-C136 WeakPolarHBondContact CB-O 3.26Å; Y82-C136 PolarHBondContact N-O 3.25Å; I134-C136 PolarHBondContact O-N 2.97Å; C136-C143 WeakPolarHBondContact CA-O 3.4Å; C136-L144 HydrophobicContact CB-CD2 3.69Å | ||
| 137 | D | 97.8 | Very high | 97.6 | Very high | 47 Ų | 47 | 52 Ų | 52 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | trans | -120.9 | 104.2 | 171.5 | -176.7 | -12.4 | 0 | 0 | 0 | 108.8 | Y82 L139 A140 C143 | Y82-D137 HydrophobicContact CD2-CB 3.8Å; Y82-D137 HydrophobicContact CE2-CB 3.92Å; Y82-D137 WeakPolarHBondContact CE2-OD2 3.26Å; D137-L139 PolarHBondContact O-N 3.3Å; D137-L139 PolarHBondContact OD1-N 3.07Å; D137-A140 HydrophobicContact CB-CB 3.82Å; D137-A140 PolarHBondContact O-N 2.93Å; D137-A140 VanDerWaalsContact O-N 3.1Å; D137-A140 PolarHBondContact OD1-N 2.96Å; D137-C143 PolarHBondContact N-O 3.39Å; D137-C143 VanDerWaalsContact O-CA 3.22Å; D137-C143 WeakPolarHBondContact O-CA 3.42Å; D137-C143 WeakPolarHBondContact O-CB 3.43Å; D137-C143 PolarHBondContact O-SG 2.86Å; D137-C143 VanDerWaalsContact O-SG 3.32Å | ||
| 138 | V | 97.7 | Very high | 97.6 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -21.3 | -177.9 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | V58 L162 A165 G175 N178 V179 | V58-V138 HydrophobicContact CG1-CG1 3.47Å; V58-V138 VanDerWaalsContact CG1-CG1 3.47Å; V138-L162 HydrophobicContact CB-CD2 4.03Å; V138-L162 HydrophobicContact CG1-CD2 4.06Å; V138-L162 HydrophobicContact CG2-CD2 3.97Å; V138-A165 HydrophobicContact CG2-CB 4.32Å; V138-G175 WeakPolarHBondContact O-CA 3.33Å; V138-N178 PolarHBondContact O-ND2 3.13Å; V138-V179 HydrophobicContact CG1-CG2 4.01Å |
| 139 | L | 96.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.5 | 178.5 | -55.9 | -176.9 | 0 | 0 | 0 | 112.7 | D137 L171 Y174 | D137-L139 PolarHBondContact O-N 3.3Å; D137-L139 PolarHBondContact OD1-N 3.07Å; L139-L171 HydrophobicContact CD2-CB 4.15Å; L139-L171 WeakPolarHBondContact CD2-O 3.35Å; L139-Y174 WeakPolarHBondContact O-CE1 3.34Å |
| 140 | A | 96.5 | Very high | 97.4 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -98.5 | 158.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D137 P142 C143 N178 | D137-A140 HydrophobicContact CB-CB 3.82Å; D137-A140 PolarHBondContact O-N 2.93Å; D137-A140 VanDerWaalsContact O-N 3.1Å; D137-A140 PolarHBondContact OD1-N 2.96Å; A140-P142 CarbonylContact O-C 3.5Å; A140-C143 PolarHBondContact O-N 3.03Å; A140-C143 PolarHBondContact O-SG 2.96Å; A140-N178 PolarHBondContact O-ND2 3.2Å |
| 141 | K | 94.1 | Very high | 97.4 | Very high | 161 Ų | 161 | 57.3 Ų | 57.3 | 70% | 0.7 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -131.5 | 112.5 | 170.3 | -169.6 | 169.2 | -176 | 172.8 | 0 | 109.7 | ||
| 142 | P | 95.3 | Very high | 97.4 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | S | Bend | cis | -71.3 | 152.7 | 1.7 | 32.2 | -36.7 | 0 | 0 | 0 | 112.9 | A140 L144 | A140-P142 CarbonylContact O-C 3.5Å; P142-L144 VanDerWaalsContact C-N 3.32Å; P142-L144 WeakPolarHBondContact CG-O 3.34Å |
| 143 | C | 97.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -70.1 | -31.2 | 175.1 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | C136 D137 A140 N178 M182 | C136-C143 WeakPolarHBondContact CA-O 3.4Å; D137-C143 PolarHBondContact N-O 3.39Å; D137-C143 VanDerWaalsContact O-CA 3.22Å; D137-C143 WeakPolarHBondContact O-CA 3.42Å; D137-C143 WeakPolarHBondContact O-CB 3.43Å; D137-C143 PolarHBondContact O-SG 2.86Å; D137-C143 VanDerWaalsContact O-SG 3.32Å; A140-C143 PolarHBondContact O-N 3.03Å; A140-C143 PolarHBondContact O-SG 2.96Å; C143-N178 WeakPolarHBondContact SG-CB 3.38Å; C143-M182 HydrophobicContact CB-CE 4.18Å; C143-M182 HydrophobicContact CB-SD 4.05Å |
| 144 | L | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -105.7 | 140.2 | 179.5 | -57.3 | 177.6 | 0 | 0 | 0 | 109.7 | L56 I134 C136 P142 S149 F153 M182 | L56-L144 HydrophobicContact CD2-CD1 3.94Å; I134-L144 HydrophobicContact CG2-CD2 4.02Å; C136-L144 HydrophobicContact CB-CD2 3.69Å; P142-L144 VanDerWaalsContact C-N 3.32Å; P142-L144 WeakPolarHBondContact CG-O 3.34Å; L144-S149 WeakPolarHBondContact O-CA 3.32Å; L144-F153 HydrophobicContact CD1-CE2 3.84Å; L144-F153 HydrophobicContact CD1-CZ 4.17Å; L144-M182 HydrophobicContact CD1-SD 3.76Å; L144-M182 HydrophobicContact CD2-SD 4.41Å; L144-M182 HydrophobicContact CG-SD 3.72Å |
| 145 | P | 97.7 | Very high | 97.4 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | trans | -70.9 | 164.8 | 173 | 31.4 | -36.4 | 0 | 0 | 0 | 111.2 | I134 K135 Y148 S149 | I134-P145 HydrophobicContact CG2-CG 4.04Å; K135-P145 WeakPolarHBondContact O-CD 3.44Å; P145-Y148 WeakPolarHBondContact O-CA 3.39Å; P145-Y148 PolarHBondContact O-N 2.78Å; P145-S149 PolarHBondContact O-N 2.79Å | ||
| 146 | A | 97.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 67% | 0.669 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 143.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y148 | A146-Y148 VanDerWaalsContact C-N 3.35Š|
| 147 | P | 96.8 | Very high | 97.4 | Very high | 109 Ų | 109 | 51 Ų | 51 | 71% | 0.708 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.1 | 13.8 | 3.8 | 37.5 | -37.6 | 0 | 0 | 0 | 114.2 | ||
| 148 | Y | 97.9 | Very high | 97.4 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 24% | 0.243 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -98.1 | -2.2 | -174 | -52.3 | -71.2 | 0 | 0 | 0 | 114.1 | Y78 A132 I134 P145 A146 D150 K151 | Y78-Y148 HydrophobicContact CD1-CE1 4.37Å; Y78-Y148 HydrophobicContact CE1-CD1 4.44Å; Y78-Y148 AromaticContact CE1-CE1 3.84Å; Y78-Y148 HydrophobicContact CE1-CE1 3.84Å; A132-Y148 HydrophobicContact CB-CE2 4.42Å; A132-Y148 WeakPolarHBondContact CB-OH 3.38Å; I134-Y148 HydrophobicContact CD1-CD1 4.12Å; I134-Y148 HydrophobicContact CD1-CD2 3.58Å; I134-Y148 HydrophobicContact CD1-CE1 4.28Å; I134-Y148 HydrophobicContact CD1-CE2 3.75Å; I134-Y148 HydrophobicContact CD1-CG 3.77Å; I134-Y148 HydrophobicContact CG1-CD2 3.99Å; I134-Y148 HydrophobicContact CG1-CE2 3.89Å; I134-Y148 HydrophobicContact CG2-CD2 4.05Å; P145-Y148 WeakPolarHBondContact O-CA 3.39Å; P145-Y148 PolarHBondContact O-N 2.78Å; A146-Y148 VanDerWaalsContact C-N 3.35Å; Y148-D150 PolarHBondContact O-N 3.03Å; Y148-K151 HydrophobicContact CD1-CD 4.15Å; Y148-K151 WeakPolarHBondContact O-CB 3.22Å; Y148-K151 PolarHBondContact O-N 3.33Å |
| 149 | S | 96.8 | Very high | 97.3 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -41.6 | -176.3 | 48.8 | 0 | 0 | 0 | 0 | 114 | L144 P145 | L144-S149 WeakPolarHBondContact O-CA 3.32Å; P145-S149 PolarHBondContact O-N 2.79Å |
| 150 | D | 96.2 | Very high | 97.2 | Very high | 131 Ų | 131 | 47.2 Ų | 47.2 | 70% | 0.701 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 3.9 | -176.3 | -56.8 | -66.6 | 0 | 0 | 0 | 112.7 | Y148 R152 | Y148-D150 PolarHBondContact O-N 3.03Å; D150-R152 PolarHBondContact O-NH1 3.31Å |
| 151 | K | 97.5 | Very high | 97.3 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | trans | -66.3 | 142 | 179 | -172.6 | 161.1 | -179.4 | 148.1 | 0 | 109.9 | Y78 Y148 F153 | Y78-K151 PolarHBondContact OH-NZ 3.42Å; Y148-K151 HydrophobicContact CD1-CD 4.15Å; Y148-K151 WeakPolarHBondContact O-CB 3.22Å; Y148-K151 PolarHBondContact O-N 3.33Å; K151-F153 HydrophobicContact CB-CE2 4.04Å; K151-F153 HydrophobicContact CB-CZ 4.18Å; K151-F153 HydrophobicContact CD-CE1 3.75Å; K151-F153 HydrophobicContact CD-CE2 4.2Å; K151-F153 HydrophobicContact CD-CZ 3.56Å; K151-F153 HydrophobicContact CG-CD2 4.33Å; K151-F153 HydrophobicContact CG-CE1 4.13Å; K151-F153 HydrophobicContact CG-CE2 3.8Å; K151-F153 HydrophobicContact CG-CZ 3.71Å | ||
| 152 | R | 98.1 | Very high | 97.4 | Very high | 118 Ų | 118 | 39 Ų | 39 | 45% | 0.445 | 22% | 0.221 | S | C | . | . | trans | -117.4 | 139.6 | 168.2 | -60.9 | -64.3 | 179.4 | -89.3 | 3.2 | 109.1 | D150 S181 M182 R184 | D150-R152 PolarHBondContact O-NH1 3.31Å; R152-S181 WeakPolarHBondContact CD-O 3.48Å; R152-S181 PolarHBondContact NE-O 3.32Å; R152-M182 CarbonylContact C-O 3.56Å; R152-M182 VanDerWaalsContact CA-O 3.27Å; R152-M182 WeakPolarHBondContact CA-O 3.27Å; R152-R184 HydrophobicContact CB-CB 3.9Å | ||
| 153 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.6 | -176.2 | -60.7 | -94.7 | 0 | 0 | 0 | 110.2 | T54 L56 Y78 L144 K151 V156 M182 R184 | T54-F153 WeakPolarHBondContact OG1-CA 3.25Å; L56-F153 HydrophobicContact CB-CB 4.25Å; L56-F153 HydrophobicContact CB-CD1 3.67Å; L56-F153 HydrophobicContact CB-CD2 3.86Å; L56-F153 HydrophobicContact CB-CE1 3.9Å; L56-F153 HydrophobicContact CB-CE2 4.09Å; L56-F153 HydrophobicContact CB-CG 3.65Å; L56-F153 HydrophobicContact CB-CZ 4.1Å; L56-F153 HydrophobicContact CD1-CZ 4.29Å; L56-F153 HydrophobicContact CD2-CD2 3.84Å; L56-F153 HydrophobicContact CD2-CE2 3.67Å; L56-F153 HydrophobicContact CD2-CG 4.49Å; L56-F153 HydrophobicContact CD2-CZ 4.16Å; L56-F153 HydrophobicContact CG-CD2 4.46Å; L56-F153 HydrophobicContact CG-CE2 4.34Å; L56-F153 HydrophobicContact CG-CZ 4.42Å; Y78-F153 HydrophobicContact CD1-CE1 4.24Å; Y78-F153 HydrophobicContact CD2-CD1 4.06Å; Y78-F153 AromaticContact CD2-CE1 3.49Å; Y78-F153 HydrophobicContact CD2-CE1 3.49Å; Y78-F153 VanDerWaalsContact CD2-CE1 3.49Å; Y78-F153 HydrophobicContact CE2-CD1 4.49Å; Y78-F153 AromaticContact CE2-CE1 3.92Å; Y78-F153 HydrophobicContact CE2-CE1 3.92Å; Y78-F153 AromaticContact CG-CE1 3.66Å; Y78-F153 HydrophobicContact CG-CE1 3.66Å; Y78-F153 HydrophobicContact CG-CZ 4.39Å; L144-F153 HydrophobicContact CD1-CE2 3.84Å; L144-F153 HydrophobicContact CD1-CZ 4.17Å; K151-F153 HydrophobicContact CB-CE2 4.04Å; K151-F153 HydrophobicContact CB-CZ 4.18Å; K151-F153 HydrophobicContact CD-CE1 3.75Å; K151-F153 HydrophobicContact CD-CE2 4.2Å; K151-F153 HydrophobicContact CD-CZ 3.56Å; K151-F153 HydrophobicContact CG-CD2 4.33Å; K151-F153 HydrophobicContact CG-CE1 4.13Å; K151-F153 HydrophobicContact CG-CE2 3.8Å; K151-F153 HydrophobicContact CG-CZ 3.71Å; F153-V156 HydrophobicContact CB-CG2 3.85Å; F153-V156 HydrophobicContact CD2-CG2 4.49Å; F153-M182 PolarHBondContact N-O 3.2Å; F153-R184 PolarHBondContact O-N 3.18Å |
| 154 | D | 98.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -38.9 | 175.6 | -59.1 | -87.1 | 0 | 0 | 0 | 111.2 | C52 S53 T54 R184 G187 W188 | C52-D154 HydrophobicContact CB-CB 3.53Å; S53-D154 WeakPolarHBondContact CB-OD2 3.2Å; S53-D154 PolarHBondContact N-OD2 2.86Å; S53-D154 VanDerWaalsContact N-OD2 3.17Å; T54-D154 PolarHBondContact N-OD2 2.97Å; T54-D154 WeakPolarHBondContact O-CB 3.46Å; T54-D154 PolarHBondContact O-N 3.44Å; T54-D154 PolarHBondContact OG1-N 3.1Å; T54-D154 VanDerWaalsContact OG1-N 3.15Å; T54-D154 PolarHBondContact OG1-OD2 2.68Å; D154-R184 IonicContact OD1-CZ 3.25Å; D154-R184 IonicContact OD1-NE 3.48Å; D154-R184 PolarHBondContact OD1-NE 2.78Å; D154-R184 IonicContact OD1-NH2 3.77Å; D154-R184 PolarHBondContact OD1-NH2 2.89Å; D154-G187 CarbonylContact O-C 3.45Å; D154-G187 WeakPolarHBondContact O-CA 3.43Å; D154-W188 PolarHBondContact O-N 3.41Å |
| 155 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.8 | 176.9 | -55 | 164.8 | 0 | 0 | 0 | 107.9 | L49 C52 T54 F55 L56 L70 V74 W188 I190 | L49-I155 HydrophobicContact CD1-CD1 4.09Å; L49-I155 HydrophobicContact CD2-CD1 4.25Å; L49-I155 HydrophobicContact CD2-CG1 4.35Å; C52-I155 HydrophobicContact CB-CD1 3.91Å; C52-I155 HydrophobicContact CB-CG1 4.23Å; T54-I155 PolarHBondContact O-N 2.72Å; T54-I155 VanDerWaalsContact O-N 3.14Å; F55-I155 WeakPolarHBondContact CA-O 3.2Å; F55-I155 HydrophobicContact CB-CB 4.36Å; F55-I155 HydrophobicContact CD2-CB 3.93Å; F55-I155 HydrophobicContact CD2-CG2 3.72Å; F55-I155 HydrophobicContact CE2-CG2 4.21Å; L56-I155 PolarHBondContact N-O 3.5Å; L70-I155 HydrophobicContact CD1-CG2 4.38Å; V74-I155 HydrophobicContact CG1-CD1 3.82Å; I155-W188 CarbonylContact C-O 3.57Å; I155-W188 WeakPolarHBondContact CA-O 3.43Å; I155-W188 HydrophobicContact CG1-CB 4.27Å; I155-I190 HydrophobicContact CG2-CD1 4.12Å; I155-I190 HydrophobicContact CG2-CG1 4.37Å |
| 156 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.1 | 167.3 | -179 | 0 | 0 | 0 | 0 | 108.5 | L56 V58 F153 V179 M182 I183 W188 L189 I190 | L56-V156 HydrophobicContact CB-CG2 4.33Å; L56-V156 HydrophobicContact CD2-CG1 4.43Å; L56-V156 CarbonylContact O-C 3.59Å; L56-V156 VanDerWaalsContact O-CA 3.26Å; L56-V156 WeakPolarHBondContact O-CA 3.48Å; V58-V156 HydrophobicContact CG2-CG1 3.65Å; F153-V156 HydrophobicContact CB-CG2 3.85Å; F153-V156 HydrophobicContact CD2-CG2 4.49Å; V156-V179 HydrophobicContact CG1-CG1 3.76Å; V156-M182 HydrophobicContact CG2-CB 4.32Å; V156-I183 HydrophobicContact CB-CD1 4.16Å; V156-I183 HydrophobicContact CB-CG1 3.63Å; V156-I183 HydrophobicContact CG2-CB 4.38Å; V156-I183 HydrophobicContact CG2-CD1 4.49Å; V156-I183 HydrophobicContact CG2-CG1 3.45Å; V156-I183 VanDerWaalsContact CG2-CG1 3.45Å; V156-W188 PolarHBondContact N-O 3.35Å; V156-L189 CarbonylContact O-C 3.6Å; V156-L189 WeakPolarHBondContact O-CA 3.37Å; V156-I190 PolarHBondContact O-N 3.22Å |
| 157 | S | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 153.1 | 166.9 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | F55 L56 D57 V58 I190 | F55-S157 WeakPolarHBondContact CE2-OG 3.26Å; F55-S157 WeakPolarHBondContact CZ-OG 3.14Å; L56-S157 PolarHBondContact O-N 3Å; D57-S157 WeakPolarHBondContact CA-OG 3.27Å; D57-S157 PolarHBondContact OD1-OG 2.81Å; V58-S157 WeakPolarHBondContact CB-O 3.44Å; V58-S157 PolarHBondContact N-O 3.29Å; S157-I190 CarbonylContact C-O 3.58Å; S157-I190 WeakPolarHBondContact CA-O 3.47Å |
| 158 | T | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 121.3 | 161.9 | -171.1 | 0 | 0 | 0 | 0 | 107.9 | V58 C161 L162 V179 I190 L191 G192 | V58-T158 WeakPolarHBondContact O-CA 3.42Å; V58-T158 WeakPolarHBondContact O-CB 3.3Å; V58-T158 PolarHBondContact O-OG1 2.9Å; T158-C161 WeakPolarHBondContact OG1-CB 3.12Å; T158-L162 HydrophobicContact CG2-CD1 3.89Å; T158-L162 HydrophobicContact CG2-CG 4.09Å; T158-V179 HydrophobicContact CG2-CG1 4.09Å; T158-I190 PolarHBondContact N-O 3Å; T158-L191 HydrophobicContact CG2-CD1 3.34Å; T158-L191 WeakPolarHBondContact O-CA 3.32Å; T158-L191 WeakPolarHBondContact O-CD1 3.43Å; T158-G192 PolarHBondContact O-N 3.48Å; T158-G192 VanDerWaalsContact O-N 3.07Å |
| 159 | V | 96.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 124 | -170.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | I38 Y65 M66 C161 G192 | I38-V159 HydrophobicContact CD1-CG1 3.51Å; I38-V159 HydrophobicContact CG1-CG1 4.38Å; I38-V159 HydrophobicContact CG2-CG1 4.1Å; Y65-V159 VanDerWaalsContact OH-CG1 3.25Å; Y65-V159 WeakPolarHBondContact OH-CG1 3.44Å; M66-V159 HydrophobicContact SD-CG2 4.32Å; V159-C161 VanDerWaalsContact C-N 3.31Å; V159-C161 PolarHBondContact O-N 3.03Å; V159-G192 VanDerWaalsContact CA-O 3.3Å; V159-G192 WeakPolarHBondContact CA-O 3.39Å |
| 160 | F | 95.1 | Very high | 97.4 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 50.4 | 49 | -174.9 | -59.2 | -64.1 | 0 | 0 | 0 | 112.5 | L35 I38 E163 Y164 G192 G193 A194 | L35-F160 HydrophobicContact CD2-CD2 3.77Å; L35-F160 HydrophobicContact CD2-CE2 3.4Å; L35-F160 HydrophobicContact CD2-CZ 4.33Å; L35-F160 HydrophobicContact CG-CE2 4.02Å; I38-F160 HydrophobicContact CD1-CD2 3.93Å; I38-F160 HydrophobicContact CD1-CE1 4.26Å; I38-F160 HydrophobicContact CD1-CE2 3.08Å; I38-F160 HydrophobicContact CD1-CZ 3.32Å; I38-F160 HydrophobicContact CG1-CE2 4.45Å; F160-E163 WeakPolarHBondContact CA-OE1 3.45Å; F160-Y164 HydrophobicContact CB-CD2 4.16Å; F160-Y164 HydrophobicContact CB-CE2 3.92Å; F160-Y164 AromaticContact CD1-CE2 3.9Å; F160-Y164 HydrophobicContact CD1-CE2 3.9Å; F160-Y164 HydrophobicContact CG-CE2 4.39Å; F160-Y164 WeakPolarHBondContact O-CD2 3.41Å; F160-G192 PolarHBondContact N-O 3Å; F160-G193 VanDerWaalsContact CE1-C 3.41Å; F160-A194 HydrophobicContact CE1-CB 4.14Å |
| 161 | C | 97.2 | Very high | 97.5 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 14% | 0.135 | 17% | 0.168 | C | C | . | . | trans | -129.1 | -61.6 | -173 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | T158 V159 E163 Y164 A165 | T158-C161 WeakPolarHBondContact OG1-CB 3.12Å; V159-C161 VanDerWaalsContact C-N 3.31Å; V159-C161 PolarHBondContact O-N 3.03Å; C161-E163 PolarHBondContact N-OE2 2.9Å; C161-E163 PolarHBondContact O-N 3.37Å; C161-Y164 CarbonylContact O-C 3.58Å; C161-Y164 PolarHBondContact O-N 3.35Å; C161-Y164 VanDerWaalsContact O-N 3.1Å; C161-A165 WeakPolarHBondContact O-CB 3.48Å; C161-A165 PolarHBondContact O-N 3.15Å | ||
| 162 | L | 97.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -43.8 | -168.6 | -66.7 | 178.7 | 0 | 0 | 0 | 112.5 | V138 T158 Y164 A165 F172 L176 V179 L191 | V138-L162 HydrophobicContact CB-CD2 4.03Å; V138-L162 HydrophobicContact CG1-CD2 4.06Å; V138-L162 HydrophobicContact CG2-CD2 3.97Å; T158-L162 HydrophobicContact CG2-CD1 3.89Å; T158-L162 HydrophobicContact CG2-CG 4.09Å; L162-Y164 VanDerWaalsContact C-N 3.29Å; L162-Y164 PolarHBondContact O-N 3.2Å; L162-A165 PolarHBondContact O-N 3.04Å; L162-F172 HydrophobicContact CB-CD2 3.67Å; L162-F172 HydrophobicContact CB-CE2 3.55Å; L162-F172 HydrophobicContact CB-CZ 4.5Å; L162-F172 HydrophobicContact CD1-CE2 4.4Å; L162-L176 HydrophobicContact CD1-CB 3.93Å; L162-L176 HydrophobicContact CD1-CD1 3.9Å; L162-V179 HydrophobicContact CD2-CG2 4.11Å; L162-L191 HydrophobicContact CD1-CD1 4.25Å |
| 163 | E | 96.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.7 | 177.7 | 73.3 | -79.1 | -157.8 | 0 | 0 | 112.7 | F160 C161 T166 F172 G193 A194 C209 L210 | F160-E163 WeakPolarHBondContact CA-OE1 3.45Å; C161-E163 PolarHBondContact N-OE2 2.9Å; C161-E163 PolarHBondContact O-N 3.37Å; E163-T166 VanDerWaalsContact O-O 3.04Å; E163-F172 HydrophobicContact CB-CD2 4.31Å; E163-F172 HydrophobicContact CB-CE2 4.17Å; E163-G193 WeakPolarHBondContact OE1-CA 3.16Å; E163-A194 PolarHBondContact OE1-N 2.7Å; E163-C209 WeakPolarHBondContact O-CB 3.27Å; E163-L210 HydrophobicContact CB-CB 4.37Å; E163-L210 PolarHBondContact O-N 2.77Å |
| 164 | Y | 96.3 | Very high | 97.6 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 11% | 0.106 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -7.8 | 175.2 | -64.7 | -78.9 | 0 | 0 | 0 | 113.4 | Q12 F160 C161 L162 E197 Y200 C209 | Q12-Y164 PolarHBondContact NE2-O 2.89Å; F160-Y164 HydrophobicContact CB-CD2 4.16Å; F160-Y164 HydrophobicContact CB-CE2 3.92Å; F160-Y164 AromaticContact CD1-CE2 3.9Å; F160-Y164 HydrophobicContact CD1-CE2 3.9Å; F160-Y164 HydrophobicContact CG-CE2 4.39Å; F160-Y164 WeakPolarHBondContact O-CD2 3.41Å; C161-Y164 CarbonylContact O-C 3.58Å; C161-Y164 PolarHBondContact O-N 3.35Å; C161-Y164 VanDerWaalsContact O-N 3.1Å; L162-Y164 VanDerWaalsContact C-N 3.29Å; L162-Y164 PolarHBondContact O-N 3.2Å; Y164-E197 PolarHBondContact OH-OE2 3.26Å; Y164-Y200 AromaticContact CD1-CD1 3.26Å; Y164-Y200 HydrophobicContact CD1-CD1 3.26Å; Y164-Y200 AromaticContact CD1-CE1 3.44Å; Y164-Y200 HydrophobicContact CD1-CE1 3.44Å; Y164-Y200 VanDerWaalsContact CD1-CE1 3.44Å; Y164-Y200 HydrophobicContact CD1-CG 4.17Å; Y164-Y200 AromaticContact CE1-CD1 3.42Å; Y164-Y200 HydrophobicContact CE1-CD1 3.42Å; Y164-Y200 VanDerWaalsContact CE1-CD1 3.42Å; Y164-Y200 HydrophobicContact CE1-CE1 4.07Å; Y164-Y200 AromaticContact CE1-CG 3.93Å; Y164-Y200 HydrophobicContact CE1-CG 3.93Å; Y164-Y200 HydrophobicContact CG-CD1 4.46Å; Y164-Y200 HydrophobicContact CG-CE1 4.31Å; Y164-C209 HydrophobicContact CD1-CB 3.54Å; Y164-C209 HydrophobicContact CE1-CB 3.9Å; Y164-C209 HydrophobicContact CG-CB 4.31Å |
| 165 | A | 96.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 30.4 Ų | 30.4 | 27% | 0.273 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -87.7 | -11.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P9 V138 C161 L162 | P9-A165 WeakPolarHBondContact CB-O 3.46Å; V138-A165 HydrophobicContact CG2-CB 4.32Å; C161-A165 WeakPolarHBondContact O-CB 3.48Å; C161-A165 PolarHBondContact O-N 3.15Å; L162-A165 PolarHBondContact O-N 3.04Å |
| 166 | T | 96.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | trans | -156.2 | 163.5 | -175.3 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | E163 D168 L171 F172 L210 | E163-T166 VanDerWaalsContact O-O 3.04Å; T166-D168 WeakPolarHBondContact CG2-O 3.35Å; T166-D168 PolarHBondContact OG1-N 3.17Å; T166-L171 HydrophobicContact CG2-CB 4.04Å; T166-L171 WeakPolarHBondContact OG1-CB 3.44Å; T166-L171 WeakPolarHBondContact OG1-CD1 3.46Å; T166-F172 HydrophobicContact CG2-CB 4.1Å; T166-L210 WeakPolarHBondContact O-CB 3.44Å; T166-L210 PolarHBondContact O-N 3Å | ||
| 167 | T | 97.5 | Very high | 97.5 | Very high | 81 Ų | 81 | 35 Ų | 35 | 50% | 0.497 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -107.9 | 6.1 | 166.8 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | P9 L208 | P9-T167 HydrophobicContact CG-CG2 3.95Å; T167-L208 HydrophobicContact CG2-CB 3.82Å |
| 168 | D | 97.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | trans | -114.5 | 123.2 | -173.7 | -175 | -45.9 | 0 | 0 | 0 | 111 | T166 Q170 L171 F172 | T166-D168 WeakPolarHBondContact CG2-O 3.35Å; T166-D168 PolarHBondContact OG1-N 3.17Å; D168-Q170 VanDerWaalsContact C-N 3.31Å; D168-Q170 PolarHBondContact O-N 3.36Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.38Å; D168-Q170 VanDerWaalsContact OD1-CB 3.31Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.27Å; D168-Q170 PolarHBondContact OD1-N 2.59Å; D168-L171 HydrophobicContact CB-CB 4.12Å; D168-L171 HydrophobicContact CB-CD1 4.03Å; D168-L171 HydrophobicContact CB-CG 4.04Å; D168-L171 PolarHBondContact O-N 3.14Å; D168-L171 PolarHBondContact OD1-N 2.66Å; D168-F172 PolarHBondContact O-N 2.71Å | ||
| 169 | L | 98.2 | Very high | 97.5 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -32.5 | -179.5 | -179.2 | 60.7 | 0 | 0 | 0 | 113.5 | F172 R173 L210 L212 E216 | L169-F172 HydrophobicContact CD1-CD1 4.3Å; L169-F172 PolarHBondContact O-N 2.89Å; L169-R173 VanDerWaalsContact O-CG 3.3Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 3.05Å; L169-L210 HydrophobicContact CB-CD1 4.32Å; L169-L210 HydrophobicContact CD1-CD2 4.22Å; L169-L212 HydrophobicContact CD1-CD1 4.15Å; L169-E216 HydrophobicContact CD1-CB 4.1Å; L169-E216 HydrophobicContact CD2-CB 4.27Å; L169-E216 HydrophobicContact CD2-CG 4Å |
| 170 | Q | 98.2 | Very high | 97.6 | Very high | 112 Ų | 112 | 35.7 Ų | 35.7 | 52% | 0.523 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71 | -38.6 | 175.7 | -58.7 | -49.9 | -48 | 0 | 0 | 111.6 | D168 F172 R173 Y174 | D168-Q170 VanDerWaalsContact C-N 3.31Å; D168-Q170 PolarHBondContact O-N 3.36Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.38Å; D168-Q170 VanDerWaalsContact OD1-CB 3.31Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.27Å; D168-Q170 PolarHBondContact OD1-N 2.59Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; Q170-R173 PolarHBondContact O-N 3.13Å; Q170-Y174 WeakPolarHBondContact O-CB 3.37Å; Q170-Y174 PolarHBondContact O-N 3.37Å |
| 171 | L | 97.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 36.6 Ų | 36.6 | 38% | 0.382 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.3 | -38 | 173.2 | -69.1 | -179 | 0 | 0 | 0 | 111.4 | L139 T166 D168 Y174 G175 | L139-L171 HydrophobicContact CD2-CB 4.15Å; L139-L171 WeakPolarHBondContact CD2-O 3.35Å; T166-L171 HydrophobicContact CG2-CB 4.04Å; T166-L171 WeakPolarHBondContact OG1-CB 3.44Å; T166-L171 WeakPolarHBondContact OG1-CD1 3.46Å; D168-L171 HydrophobicContact CB-CB 4.12Å; D168-L171 HydrophobicContact CB-CD1 4.03Å; D168-L171 HydrophobicContact CB-CG 4.04Å; D168-L171 PolarHBondContact O-N 3.14Å; D168-L171 PolarHBondContact OD1-N 2.66Å; L171-Y174 PolarHBondContact O-N 3.25Å; L171-G175 PolarHBondContact O-N 3.06Å |
| 172 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 171.8 | 173.1 | -86.8 | 0 | 0 | 0 | 111.5 | L162 E163 T166 D168 L169 Q170 Y174 G175 L176 L210 L212 L217 | L162-F172 HydrophobicContact CB-CD2 3.67Å; L162-F172 HydrophobicContact CB-CE2 3.55Å; L162-F172 HydrophobicContact CB-CZ 4.5Å; L162-F172 HydrophobicContact CD1-CE2 4.4Å; E163-F172 HydrophobicContact CB-CD2 4.31Å; E163-F172 HydrophobicContact CB-CE2 4.17Å; T166-F172 HydrophobicContact CG2-CB 4.1Å; D168-F172 PolarHBondContact O-N 2.71Å; L169-F172 HydrophobicContact CD1-CD1 4.3Å; L169-F172 PolarHBondContact O-N 2.89Å; Q170-F172 VanDerWaalsContact C-N 3.34Å; F172-Y174 VanDerWaalsContact C-N 3.29Å; F172-Y174 PolarHBondContact O-N 3.17Å; F172-G175 PolarHBondContact O-N 3.43Å; F172-L176 HydrophobicContact CE1-CD2 4.38Å; F172-L176 WeakPolarHBondContact O-CB 3.02Å; F172-L176 PolarHBondContact O-N 3.31Å; F172-L210 HydrophobicContact CB-CD2 3.5Å; F172-L210 HydrophobicContact CD1-CD2 4.46Å; F172-L210 HydrophobicContact CD2-CD2 3.84Å; F172-L210 HydrophobicContact CG-CD2 3.69Å; F172-L212 HydrophobicContact CE1-CD1 4.22Å; F172-L212 HydrophobicContact CE1-CD2 4.41Å; F172-L212 HydrophobicContact CE2-CD2 3.91Å; F172-L212 HydrophobicContact CZ-CD1 4.32Å; F172-L212 HydrophobicContact CZ-CD2 3.72Å; F172-L217 HydrophobicContact CE1-CD1 4.31Å; F172-L217 HydrophobicContact CZ-CD1 3.93Å |
| 173 | R | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 176.3 | -76.2 | 169.8 | 179.6 | 176.8 | 4.8 | 112.5 | L169 Q170 K177 S220 | L169-R173 VanDerWaalsContact O-CG 3.3Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 3.05Å; Q170-R173 PolarHBondContact O-N 3.13Å; R173-K177 WeakPolarHBondContact O-CB 3.1Å; R173-K177 WeakPolarHBondContact O-CG 3.38Å; R173-K177 PolarHBondContact O-N 3.25Å; R173-S220 WeakPolarHBondContact CG-OG 3.22Å; R173-S220 PolarHBondContact NE-OG 3.19Å |
| 174 | Y | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 176.1 | -176.2 | -98.7 | 0 | 0 | 0 | 111.5 | L139 Q170 L171 F172 L176 K177 N178 | L139-Y174 WeakPolarHBondContact O-CE1 3.34Å; Q170-Y174 WeakPolarHBondContact O-CB 3.37Å; Q170-Y174 PolarHBondContact O-N 3.37Å; L171-Y174 PolarHBondContact O-N 3.25Å; F172-Y174 VanDerWaalsContact C-N 3.29Å; F172-Y174 PolarHBondContact O-N 3.17Å; Y174-L176 PolarHBondContact O-N 2.94Å; Y174-K177 PolarHBondContact O-N 3.43Å; Y174-N178 WeakPolarHBondContact CD1-ND2 3.44Å; Y174-N178 WeakPolarHBondContact CE1-ND2 3.45Å; Y174-N178 PolarHBondContact O-N 3.13Å |
| 175 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V138 L171 F172 K177 N178 V179 | V138-G175 WeakPolarHBondContact O-CA 3.33Å; L171-G175 PolarHBondContact O-N 3.06Å; F172-G175 PolarHBondContact O-N 3.43Å; G175-K177 PolarHBondContact O-N 3.02Å; G175-N178 PolarHBondContact O-N 3.31Å; G175-N178 VanDerWaalsContact O-N 3.13Å; G175-V179 WeakPolarHBondContact O-CG2 3.43Å; G175-V179 PolarHBondContact O-N 3Å |
| 176 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 176.1 | -179.6 | 60.8 | 0 | 0 | 0 | 111.9 | L162 F172 Y174 N178 V179 V180 L191 L221 A224 | L162-L176 HydrophobicContact CD1-CB 3.93Å; L162-L176 HydrophobicContact CD1-CD1 3.9Å; F172-L176 HydrophobicContact CE1-CD2 4.38Å; F172-L176 WeakPolarHBondContact O-CB 3.02Å; F172-L176 PolarHBondContact O-N 3.31Å; Y174-L176 PolarHBondContact O-N 2.94Å; L176-N178 VanDerWaalsContact C-N 3.29Å; L176-N178 PolarHBondContact O-N 2.9Å; L176-V179 PolarHBondContact O-N 3.4Å; L176-V180 HydrophobicContact CD1-CG2 4.31Å; L176-V180 WeakPolarHBondContact O-CG2 3.35Å; L176-V180 PolarHBondContact O-N 3.33Å; L176-L191 HydrophobicContact CD1-CD2 4.35Å; L176-L221 HydrophobicContact CD2-CD2 4.17Å; L176-A224 HydrophobicContact CD2-CB 4.23Å; L176-A224 HydrophobicContact CG-CB 4.05Å |
| 177 | K | 98.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 45 Ų | 45 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.9 | -41.4 | 175.2 | -80.5 | 175.4 | 176.3 | 177.5 | 0 | 111.9 | R173 Y174 G175 S181 Q223 A224 | R173-K177 WeakPolarHBondContact O-CB 3.1Å; R173-K177 WeakPolarHBondContact O-CG 3.38Å; R173-K177 PolarHBondContact O-N 3.25Å; Y174-K177 PolarHBondContact O-N 3.43Å; G175-K177 PolarHBondContact O-N 3.02Å; K177-S181 WeakPolarHBondContact O-CB 3.38Å; K177-S181 PolarHBondContact O-N 3.19Å; K177-Q223 WeakPolarHBondContact CE-O 3.3Å; K177-A224 HydrophobicContact CG-CB 4.01Å |
| 178 | N | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 177.6 | -68 | -22.7 | 0 | 0 | 0 | 112 | V138 A140 C143 Y174 G175 L176 S181 M182 | V138-N178 PolarHBondContact O-ND2 3.13Å; A140-N178 PolarHBondContact O-ND2 3.2Å; C143-N178 WeakPolarHBondContact SG-CB 3.38Å; Y174-N178 WeakPolarHBondContact CD1-ND2 3.44Å; Y174-N178 WeakPolarHBondContact CE1-ND2 3.45Å; Y174-N178 PolarHBondContact O-N 3.13Å; G175-N178 PolarHBondContact O-N 3.31Å; G175-N178 VanDerWaalsContact O-N 3.13Å; L176-N178 VanDerWaalsContact C-N 3.29Å; L176-N178 PolarHBondContact O-N 2.9Å; N178-S181 WeakPolarHBondContact O-CB 3.27Å; N178-S181 PolarHBondContact O-N 2.88Å; N178-S181 VanDerWaalsContact O-N 3.16Å; N178-S181 PolarHBondContact O-OG 2.88Å; N178-M182 PolarHBondContact O-N 2.65Å |
| 179 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -49.8 | 173.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V58 V138 V156 T158 L162 G175 L176 S181 M182 L189 | V58-V179 HydrophobicContact CG1-CG2 4.02Å; V138-V179 HydrophobicContact CG1-CG2 4.01Å; V156-V179 HydrophobicContact CG1-CG1 3.76Å; T158-V179 HydrophobicContact CG2-CG1 4.09Å; L162-V179 HydrophobicContact CD2-CG2 4.11Å; G175-V179 WeakPolarHBondContact O-CG2 3.43Å; G175-V179 PolarHBondContact O-N 3Å; L176-V179 PolarHBondContact O-N 3.4Å; V179-S181 PolarHBondContact O-N 3Å; V179-M182 HydrophobicContact CB-CE 4.45Å; V179-M182 HydrophobicContact CG2-CE 4.22Å; V179-M182 WeakPolarHBondContact O-CB 3.5Å; V179-M182 PolarHBondContact O-N 2.92Å; V179-L189 HydrophobicContact CG1-CD1 4.16Å |
| 180 | V | 98 | Very high | 97.9 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -36.8 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L176 M182 I183 L189 A224 I226 I248 | L176-V180 HydrophobicContact CD1-CG2 4.31Å; L176-V180 WeakPolarHBondContact O-CG2 3.35Å; L176-V180 PolarHBondContact O-N 3.33Å; V180-M182 PolarHBondContact O-N 3.16Å; V180-M182 VanDerWaalsContact O-N 3.15Å; V180-I183 WeakPolarHBondContact O-CB 3.01Å; V180-I183 PolarHBondContact O-N 2.97Å; V180-L189 HydrophobicContact CG2-CD2 4.33Å; V180-A224 HydrophobicContact CG2-CB 4.09Å; V180-I226 HydrophobicContact CG2-CD1 3.92Å; V180-I226 HydrophobicContact CG2-CG1 4.43Å; V180-I248 HydrophobicContact CG1-CD1 4.03Å |
| 181 | S | 97.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 36% | 0.357 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.6 | -17 | 177.7 | 84.5 | 0 | 0 | 0 | 0 | 114.5 | R152 K177 N178 V179 I183 | R152-S181 WeakPolarHBondContact CD-O 3.48Å; R152-S181 PolarHBondContact NE-O 3.32Å; K177-S181 WeakPolarHBondContact O-CB 3.38Å; K177-S181 PolarHBondContact O-N 3.19Å; N178-S181 WeakPolarHBondContact O-CB 3.27Å; N178-S181 PolarHBondContact O-N 2.88Å; N178-S181 VanDerWaalsContact O-N 3.16Å; N178-S181 PolarHBondContact O-OG 2.88Å; V179-S181 PolarHBondContact O-N 3Å; S181-I183 VanDerWaalsContact C-N 3.33Å |
| 182 | M | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.9 | 174.3 | -64.1 | -171.3 | -76.7 | 0 | 0 | 113 | L56 V58 C143 L144 R152 F153 V156 N178 V179 V180 | L56-M182 HydrophobicContact CD2-CE 4.06Å; L56-M182 HydrophobicContact CD2-SD 3.81Å; V58-M182 HydrophobicContact CG1-CE 4.44Å; V58-M182 HydrophobicContact CG2-CE 3.59Å; C143-M182 HydrophobicContact CB-CE 4.18Å; C143-M182 HydrophobicContact CB-SD 4.05Å; L144-M182 HydrophobicContact CD1-SD 3.76Å; L144-M182 HydrophobicContact CD2-SD 4.41Å; L144-M182 HydrophobicContact CG-SD 3.72Å; R152-M182 CarbonylContact C-O 3.56Å; R152-M182 VanDerWaalsContact CA-O 3.27Å; R152-M182 WeakPolarHBondContact CA-O 3.27Å; F153-M182 PolarHBondContact N-O 3.2Å; V156-M182 HydrophobicContact CG2-CB 4.32Å; N178-M182 PolarHBondContact O-N 2.65Å; V179-M182 HydrophobicContact CB-CE 4.45Å; V179-M182 HydrophobicContact CG2-CE 4.22Å; V179-M182 WeakPolarHBondContact O-CB 3.5Å; V179-M182 PolarHBondContact O-N 2.92Å; V180-M182 PolarHBondContact O-N 3.16Å; V180-M182 VanDerWaalsContact O-N 3.15Å |
| 183 | I | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 137.2 | 178 | -51.4 | 168.6 | 0 | 0 | 0 | 108.6 | V156 V180 S181 L189 I248 | V156-I183 HydrophobicContact CB-CD1 4.16Å; V156-I183 HydrophobicContact CB-CG1 3.63Å; V156-I183 HydrophobicContact CG2-CB 4.38Å; V156-I183 HydrophobicContact CG2-CD1 4.49Å; V156-I183 HydrophobicContact CG2-CG1 3.45Å; V156-I183 VanDerWaalsContact CG2-CG1 3.45Å; V180-I183 WeakPolarHBondContact O-CB 3.01Å; V180-I183 PolarHBondContact O-N 2.97Å; S181-I183 VanDerWaalsContact C-N 3.33Å; I183-L189 HydrophobicContact CD1-CB 3.72Å; I183-L189 HydrophobicContact CD1-CD1 4.15Å; I183-L189 HydrophobicContact CD1-CG 4.47Å; I183-I248 HydrophobicContact CB-CG1 4.01Å; I183-I248 HydrophobicContact CD1-CD1 4.11Å; I183-I248 HydrophobicContact CD1-CG1 3.71Å; I183-I248 HydrophobicContact CG1-CG1 4.46Å; I183-I248 HydrophobicContact CG2-CB 4.17Å; I183-I248 HydrophobicContact CG2-CG1 3.68Å |
| 184 | R | 97.7 | Very high | 97.2 | Very high | 91 Ų | 91 | 27.3 Ų | 27.3 | 34% | 0.343 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 159.3 | 171.4 | 67.2 | 163.7 | 178.5 | 75.9 | 3.8 | 111 | R152 F153 D154 G186 G187 | R152-R184 HydrophobicContact CB-CB 3.9Å; F153-R184 PolarHBondContact O-N 3.18Å; D154-R184 IonicContact OD1-CZ 3.25Å; D154-R184 IonicContact OD1-NE 3.48Å; D154-R184 PolarHBondContact OD1-NE 2.78Å; D154-R184 IonicContact OD1-NH2 3.77Å; D154-R184 PolarHBondContact OD1-NH2 2.89Å; R184-G186 PolarHBondContact NH1-O 2.97Å; R184-G186 VanDerWaalsContact NH1-O 3.08Å; R184-G186 PolarHBondContact O-N 3.21Å; R184-G187 WeakPolarHBondContact O-CA 3.34Å; R184-G187 PolarHBondContact O-N 3.41Å |
| 185 | N | 96.1 | Very high | 97 | Very high | 124 Ų | 124 | 23.3 Ų | 23.3 | 66% | 0.663 | 13% | 0.125 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 136.2 | 167.9 | -62.3 | 6.7 | 0 | 0 | 0 | 109.9 | G187 | N185-G187 PolarHBondContact O-N 3.01Å |
| 186 | G | 95.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 29 Ų | 29 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71 | 13 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R184 I248 | R184-G186 PolarHBondContact NH1-O 2.97Å; R184-G186 VanDerWaalsContact NH1-O 3.08Å; R184-G186 PolarHBondContact O-N 3.21Å; G186-I248 WeakPolarHBondContact CA-O 3.31Å; G186-I248 PolarHBondContact N-O 2.89Å |
| 187 | G | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -171.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D154 R184 N185 S247 I248 | D154-G187 CarbonylContact O-C 3.45Å; D154-G187 WeakPolarHBondContact O-CA 3.43Å; R184-G187 WeakPolarHBondContact O-CA 3.34Å; R184-G187 PolarHBondContact O-N 3.41Å; N185-G187 PolarHBondContact O-N 3.01Å; G187-S247 CarbonylContact O-C 3.54Å; G187-S247 WeakPolarHBondContact O-CA 3.46Å; G187-I248 PolarHBondContact O-N 2.93Å |
| 188 | W | 98.1 | Very high | 96.2 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 11% | 0.114 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.4 | -172.7 | -62.1 | 83.3 | 0 | 0 | 0 | 112.8 | L49 D154 I155 V156 T232 L245 A246 | L49-W188 HydrophobicContact CD2-CB 3.66Å; L49-W188 HydrophobicContact CD2-CD2 3.52Å; L49-W188 HydrophobicContact CD2-CE3 3.98Å; L49-W188 HydrophobicContact CD2-CG 3.36Å; D154-W188 PolarHBondContact O-N 3.41Å; I155-W188 CarbonylContact C-O 3.57Å; I155-W188 WeakPolarHBondContact CA-O 3.43Å; I155-W188 HydrophobicContact CG1-CB 4.27Å; V156-W188 PolarHBondContact N-O 3.35Å; W188-T232 HydrophobicContact CH2-CG2 4.1Å; W188-L245 HydrophobicContact CE3-CD1 3.75Å; W188-L245 HydrophobicContact CE3-CD2 4.49Å; W188-L245 HydrophobicContact CE3-CG 3.99Å; W188-L245 HydrophobicContact CZ3-CD1 4.38Å; W188-L245 HydrophobicContact CZ3-CD2 4.35Å; W188-L245 HydrophobicContact CZ3-CG 4.15Å; W188-A246 CarbonylContact C-O 3.59Å; W188-A246 WeakPolarHBondContact CA-O 3.39Å |
| 189 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.2 | 167.7 | 177 | 65.7 | 0 | 0 | 0 | 109.2 | V156 V179 V180 I183 L191 L221 I226 L245 A246 | V156-L189 CarbonylContact O-C 3.6Å; V156-L189 WeakPolarHBondContact O-CA 3.37Å; V179-L189 HydrophobicContact CG1-CD1 4.16Å; V180-L189 HydrophobicContact CG2-CD2 4.33Å; I183-L189 HydrophobicContact CD1-CB 3.72Å; I183-L189 HydrophobicContact CD1-CD1 4.15Å; I183-L189 HydrophobicContact CD1-CG 4.47Å; L189-L191 HydrophobicContact CD1-CB 4.43Å; L189-L191 HydrophobicContact CD2-CB 4.13Å; L189-L191 HydrophobicContact CG-CB 4.12Å; L189-L221 HydrophobicContact CD2-CD2 4.47Å; L189-I226 HydrophobicContact CD2-CD1 3.5Å; L189-I226 VanDerWaalsContact CD2-CD1 3.5Å; L189-L245 WeakPolarHBondContact O-CA 3.38Å; L189-A246 HydrophobicContact CB-CB 4.5Å; L189-A246 PolarHBondContact N-O 2.94Å; L189-A246 PolarHBondContact O-N 3.19Å |
| 190 | I | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.3 | 160.4 | -56.2 | 171.6 | 0 | 0 | 0 | 107.6 | F45 L49 M66 L70 I155 V156 S157 T158 I244 L245 | F45-I190 HydrophobicContact CD2-CG2 3.93Å; F45-I190 HydrophobicContact CE2-CG2 4.15Å; L49-I190 HydrophobicContact CD1-CD1 4.01Å; M66-I190 HydrophobicContact CE-CB 4.34Å; M66-I190 HydrophobicContact CE-CD1 3.89Å; M66-I190 HydrophobicContact CE-CG2 3.95Å; L70-I190 HydrophobicContact CD1-CD1 3.75Å; L70-I190 HydrophobicContact CD2-CD1 4.18Å; I155-I190 HydrophobicContact CG2-CD1 4.12Å; I155-I190 HydrophobicContact CG2-CG1 4.37Å; V156-I190 PolarHBondContact O-N 3.22Å; S157-I190 CarbonylContact C-O 3.58Å; S157-I190 WeakPolarHBondContact CA-O 3.47Å; T158-I190 PolarHBondContact N-O 3Å; I190-I244 CarbonylContact C-O 3.53Å; I190-I244 WeakPolarHBondContact CA-O 3.46Å; I190-L245 HydrophobicContact CG1-CD1 3.88Å |
| 191 | L | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.9 | -179.1 | 175.8 | 69.7 | 0 | 0 | 0 | 108.9 | T158 L162 L176 L189 L217 L221 Y242 V243 I244 | T158-L191 HydrophobicContact CG2-CD1 3.34Å; T158-L191 WeakPolarHBondContact O-CA 3.32Å; T158-L191 WeakPolarHBondContact O-CD1 3.43Å; L162-L191 HydrophobicContact CD1-CD1 4.25Å; L176-L191 HydrophobicContact CD1-CD2 4.35Å; L189-L191 HydrophobicContact CD1-CB 4.43Å; L189-L191 HydrophobicContact CD2-CB 4.13Å; L189-L191 HydrophobicContact CG-CB 4.12Å; L191-L217 HydrophobicContact CD2-CD1 3.88Å; L191-L221 HydrophobicContact CD2-CD2 3.78Å; L191-Y242 HydrophobicContact CD2-CE2 4.19Å; L191-Y242 HydrophobicContact CG-CE2 3.99Å; L191-V243 CarbonylContact O-C 3.52Å; L191-V243 WeakPolarHBondContact O-CA 3.46Å; L191-I244 HydrophobicContact CB-CB 4.25Å; L191-I244 HydrophobicContact CD2-CD1 4.19Å; L191-I244 PolarHBondContact N-O 3.18Å; L191-I244 PolarHBondContact O-N 3.01Å |
| 192 | G | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T158 V159 F160 Y242 | T158-G192 PolarHBondContact O-N 3.48Å; T158-G192 VanDerWaalsContact O-N 3.07Å; V159-G192 VanDerWaalsContact CA-O 3.3Å; V159-G192 WeakPolarHBondContact CA-O 3.39Å; F160-G192 PolarHBondContact N-O 3Å; G192-Y242 WeakPolarHBondContact CA-O 3.49Å |
| 193 | G | 94.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -171.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F160 E163 A241 Y242 | F160-G193 VanDerWaalsContact CE1-C 3.41Å; E163-G193 WeakPolarHBondContact OE1-CA 3.16Å; G193-A241 WeakPolarHBondContact O-CA 3.49Å; G193-Y242 PolarHBondContact N-O 3.48Å; G193-Y242 VanDerWaalsContact N-O 3.13Å; G193-Y242 WeakPolarHBondContact O-CD1 3.36Å; G193-Y242 PolarHBondContact O-N 2.97Å |
| 194 | A | 92.5 | Very high | 94.5 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 152.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F160 E163 E197 D240 | F160-A194 HydrophobicContact CE1-CB 4.14Å; E163-A194 PolarHBondContact OE1-N 2.7Å; A194-E197 HydrophobicContact CB-CG 4.35Å; A194-D240 CarbonylContact C-O 3.58Å; A194-D240 WeakPolarHBondContact CA-O 3.3Å |
| 195 | Y | 93.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -104 | 154.8 | 173.4 | -66 | -54.9 | 0 | 0 | 0 | 110.9 | E197 L212 E214 L217 Y235 D240 Y242 | Y195-E197 PolarHBondContact O-N 3.36Å; Y195-L212 WeakPolarHBondContact CA-O 3.43Å; Y195-L212 HydrophobicContact CD1-CG 4.33Å; Y195-E214 HydrophobicContact CE1-CB 4.19Å; Y195-E214 HydrophobicContact CE2-CB 4.39Å; Y195-L217 HydrophobicContact CE1-CB 4.09Å; Y195-L217 HydrophobicContact CE1-CD2 3.8Å; Y195-L217 WeakPolarHBondContact OH-CD2 3.37Å; Y195-Y235 WeakPolarHBondContact CE2-OH 3.43Å; Y195-Y235 WeakPolarHBondContact OH-CE2 3Å; Y195-Y235 PolarHBondContact OH-OH 2.89Å; Y195-D240 PolarHBondContact N-O 2.71Å; Y195-Y242 AromaticContact CD1-CD1 3.86Å; Y195-Y242 HydrophobicContact CD1-CD1 3.86Å; Y195-Y242 HydrophobicContact CD1-CE1 4.02Å; Y195-Y242 AromaticContact CD2-CD1 3.95Å; Y195-Y242 HydrophobicContact CD2-CD1 3.95Å; Y195-Y242 AromaticContact CE1-CD1 3.46Å; Y195-Y242 HydrophobicContact CE1-CD1 3.46Å; Y195-Y242 VanDerWaalsContact CE1-CD1 3.46Å; Y195-Y242 AromaticContact CE1-CE1 3.72Å; Y195-Y242 HydrophobicContact CE1-CE1 3.72Å; Y195-Y242 HydrophobicContact CE1-CG 4.17Å; Y195-Y242 AromaticContact CE2-CD1 3.59Å; Y195-Y242 HydrophobicContact CE2-CD1 3.59Å; Y195-Y242 AromaticContact CE2-CG 3.92Å; Y195-Y242 HydrophobicContact CE2-CG 3.92Å; Y195-Y242 HydrophobicContact CG-CD1 4.08Å; Y195-Y242 AromaticContact CZ-CD1 3.31Å; Y195-Y242 AromaticContact CZ-CG 3.63Å |
| 196 | Q | 92.9 | Very high | 94.3 | Very high | 120 Ų | 120 | 40.5 Ų | 40.5 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 57.3 | 23.7 | 163.7 | -57.1 | -177.4 | 17 | 0 | 0 | 115.7 | Y211 L212 | Q196-Y211 VanDerWaalsContact C-CD2 3.44Å; Q196-Y211 VanDerWaalsContact C-CE2 3.41Å; Q196-Y211 HydrophobicContact CB-CD2 4.37Å; Q196-Y211 HydrophobicContact CB-CE1 4.23Å; Q196-Y211 HydrophobicContact CB-CE2 3.63Å; Q196-Y211 WeakPolarHBondContact CB-OH 3.36Å; Q196-Y211 HydrophobicContact CG-CE1 3.94Å; Q196-Y211 HydrophobicContact CG-CE2 4.24Å; Q196-Y211 WeakPolarHBondContact CG-OH 3.22Å; Q196-Y211 WeakPolarHBondContact O-CD2 3.39Å; Q196-Y211 WeakPolarHBondContact O-CE2 3.44Å; Q196-L212 PolarHBondContact N-O 2.98Å |
| 197 | E | 91.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | trans | -96.1 | 137.7 | 169.5 | -64.1 | -172.9 | 164.6 | 0 | 0 | 110.6 | Y164 A194 Y195 L210 Y211 | Y164-E197 PolarHBondContact OH-OE2 3.26Å; A194-E197 HydrophobicContact CB-CG 4.35Å; Y195-E197 PolarHBondContact O-N 3.36Å; E197-L210 CarbonylContact O-C 3.57Å; E197-Y211 VanDerWaalsContact O-CA 3.23Å; E197-Y211 WeakPolarHBondContact O-CA 3.43Å; E197-Y211 PolarHBondContact O-N 3.41Å | ||
| 198 | H | 94.5 | Very high | 94.3 | Very high | 117 Ų | 117 | 41.4 Ų | 41.4 | 54% | 0.542 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -96.8 | -21.9 | 168.2 | -75.5 | -68.2 | 0 | 0 | 0 | 112.6 | L208 C209 Y211 | H198-L208 WeakPolarHBondContact O-CA 3.48Å; H198-C209 PolarHBondContact O-N 2.89Å; H198-Y211 AromaticContact CD2-CD2 3.56Å; H198-Y211 VanDerWaalsContact CE1-CB 3.46Å; H198-Y211 WeakPolarHBondContact CE1-CB 3.41Å; H198-Y211 AromaticContact CE1-CD2 3.41Å; H198-Y211 VanDerWaalsContact CE1-CD2 3.41Å; H198-Y211 WeakPolarHBondContact CE1-CD2 3.18Å; H198-Y211 AromaticContact CE1-CG 3.61Å; H198-Y211 AromaticContact CG-CD2 3.95Å; H198-Y211 AromaticContact ND1-CD2 3.87Å; H198-Y211 AromaticContact NE2-CD2 3.22Å; H198-Y211 WeakPolarHBondContact NE2-CD2 3.48Å; H198-Y211 AromaticContact NE2-CE2 3.71Å; H198-Y211 AromaticContact NE2-CG 3.88Å |
| 199 | T | 95.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 153.7 | -174.2 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | L6 R206 F207 L208 C209 | L6-T199 HydrophobicContact CD1-CG2 4.05Å; T199-R206 HydrophobicContact CG2-CG 3.75Å; T199-F207 CarbonylContact C-O 3.52Å; T199-F207 WeakPolarHBondContact CA-O 3.49Å; T199-F207 WeakPolarHBondContact CB-O 3.37Å; T199-L208 HydrophobicContact CG2-CD2 3.82Å; T199-C209 PolarHBondContact N-SG 3.21Å; T199-C209 VanDerWaalsContact N-SG 3.36Å |
| 200 | Y | 92.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 40.9 Ų | 40.9 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 154.4 | 161.6 | 73.1 | -80.5 | 0 | 0 | 0 | 111.1 | Q12 F16 Y164 L202 R206 F207 | Q12-Y200 PolarHBondContact NE2-OH 2.62Å; F16-Y200 HydrophobicContact CE2-CE2 4.38Å; Y164-Y200 AromaticContact CD1-CD1 3.26Å; Y164-Y200 HydrophobicContact CD1-CD1 3.26Å; Y164-Y200 AromaticContact CD1-CE1 3.44Å; Y164-Y200 HydrophobicContact CD1-CE1 3.44Å; Y164-Y200 VanDerWaalsContact CD1-CE1 3.44Å; Y164-Y200 HydrophobicContact CD1-CG 4.17Å; Y164-Y200 AromaticContact CE1-CD1 3.42Å; Y164-Y200 HydrophobicContact CE1-CD1 3.42Å; Y164-Y200 VanDerWaalsContact CE1-CD1 3.42Å; Y164-Y200 HydrophobicContact CE1-CE1 4.07Å; Y164-Y200 AromaticContact CE1-CG 3.93Å; Y164-Y200 HydrophobicContact CE1-CG 3.93Å; Y164-Y200 HydrophobicContact CG-CD1 4.46Å; Y164-Y200 HydrophobicContact CG-CE1 4.31Å; Y200-L202 HydrophobicContact CE2-CB 4.31Å; Y200-R206 CarbonylContact O-C 3.4Å; Y200-R206 WeakPolarHBondContact O-CA 3.47Å; Y200-F207 HydrophobicContact CD1-CB 3.78Å; Y200-F207 HydrophobicContact CD2-CD2 4.46Å; Y200-F207 HydrophobicContact CE1-CB 3.27Å; Y200-F207 HydrophobicContact CE1-CD2 4.21Å; Y200-F207 AromaticContact CE1-CG 3.97Å; Y200-F207 HydrophobicContact CE1-CG 3.97Å; Y200-F207 HydrophobicContact CE2-CB 4.3Å; Y200-F207 AromaticContact CE2-CD2 3.71Å; Y200-F207 HydrophobicContact CE2-CD2 3.71Å; Y200-F207 HydrophobicContact CE2-CE2 4.47Å; Y200-F207 HydrophobicContact CE2-CG 4.31Å; Y200-F207 AromaticContact CZ-CD2 3.58Å; Y200-F207 AromaticContact CZ-CG 3.71Å; Y200-F207 PolarHBondContact N-O 3.04Å; Y200-F207 PolarHBondContact O-N 3.37Å |
| 201 | D | 92.4 | Very high | 94.3 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.5 | 179.8 | -72.3 | -32.7 | 0 | 0 | 0 | 110.8 | Y25 R206 | Y25-D201 PolarHBondContact OH-O 2.98Å; D201-R206 WeakPolarHBondContact OD1-CB 3.49Å; D201-R206 WeakPolarHBondContact OD1-CG 3.38Å; D201-R206 IonicContact OD1-CZ 2.82Å; D201-R206 IonicContact OD1-NE 3.23Å; D201-R206 PolarHBondContact OD1-NE 3.15Å; D201-R206 IonicContact OD1-NH2 2.73Å; D201-R206 PolarHBondContact OD1-NH2 3.1Å; D201-R206 IonicContact OD2-CZ 2.7Å; D201-R206 IonicContact OD2-NE 3.72Å; D201-R206 IonicContact OD2-NH2 3.69Å; D201-R206 PolarHBondContact OD2-NH2 2.86Å |
| 202 | L | 92.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 104.9 | 173.4 | 176.4 | 61 | 0 | 0 | 0 | 109.2 | F16 T20 Y21 Y200 R204 C205 F207 | F16-L202 HydrophobicContact CB-CD2 4.5Å; F16-L202 HydrophobicContact CD1-CD2 4.44Å; F16-L202 HydrophobicContact CD2-CD2 3.53Å; F16-L202 HydrophobicContact CE2-CD2 3.78Å; F16-L202 HydrophobicContact CG-CD2 3.91Å; F16-L202 HydrophobicContact CZ-CD2 4.33Å; T20-L202 HydrophobicContact CG2-CD1 3.81Å; Y21-L202 HydrophobicContact CD2-CD1 4.42Å; Y200-L202 HydrophobicContact CE2-CB 4.31Å; L202-R204 PolarHBondContact O-N 3.46Å; L202-C205 PolarHBondContact N-O 2.96Å; L202-C205 WeakPolarHBondContact O-CB 3.4Å; L202-C205 PolarHBondContact O-N 2.83Å; L202-F207 HydrophobicContact CB-CD2 4.38Å; L202-F207 HydrophobicContact CB-CE2 4.07Å; L202-F207 HydrophobicContact CD2-CE2 4.15Å |
| 203 | G | 90.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -106.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E24 | E24-G203 VanDerWaalsContact OE1-CA 3.3Å; E24-G203 WeakPolarHBondContact OE1-CA 3.34Å; E24-G203 PolarHBondContact OE1-N 3.14Å; E24-G203 VanDerWaalsContact OE1-N 3.13Å; E24-G203 PolarHBondContact OE2-N 3.35Å |
| 204 | R | 90.6 | Very high | 94.5 | Very high | 179 Ų | 179 | 52.2 Ų | 52.2 | 68% | 0.675 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 2.5 | 179.8 | -65.8 | -175.4 | -70.5 | 174.6 | -1.4 | 113.7 | I5 L202 | I5-R204 PolarHBondContact N-O 2.99Å; L202-R204 PolarHBondContact O-N 3.46Å |
| 205 | C | 93.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 141.6 | -176.3 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | L7 L202 F207 | L7-C205 HydrophobicContact CD1-CB 3.86Å; L202-C205 PolarHBondContact N-O 2.96Å; L202-C205 WeakPolarHBondContact O-CB 3.4Å; L202-C205 PolarHBondContact O-N 2.83Å; C205-F207 HydrophobicContact CB-CD2 4.32Å; C205-F207 HydrophobicContact CB-CE2 3.65Å; C205-F207 HydrophobicContact CB-CZ 4.07Å |
| 206 | R | 95.4 | Very high | 95 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117.4 | 168.8 | 177.9 | 168.8 | -69.3 | 176.1 | -5.2 | 108.3 | T4 I5 L6 L7 T199 Y200 D201 | T4-R206 HydrophobicContact CG2-CB 3.53Å; I5-R206 PolarHBondContact O-N 3.24Å; L6-R206 CarbonylContact C-O 3.58Å; L6-R206 WeakPolarHBondContact CA-O 3.41Å; L6-R206 HydrophobicContact CD1-CB 4.29Å; L6-R206 HydrophobicContact CD1-CG 3.85Å; L7-R206 PolarHBondContact N-O 3.5Å; T199-R206 HydrophobicContact CG2-CG 3.75Å; Y200-R206 CarbonylContact O-C 3.4Å; Y200-R206 WeakPolarHBondContact O-CA 3.47Å; D201-R206 WeakPolarHBondContact OD1-CB 3.49Å; D201-R206 WeakPolarHBondContact OD1-CG 3.38Å; D201-R206 IonicContact OD1-CZ 2.82Å; D201-R206 IonicContact OD1-NE 3.23Å; D201-R206 PolarHBondContact OD1-NE 3.15Å; D201-R206 IonicContact OD1-NH2 2.73Å; D201-R206 PolarHBondContact OD1-NH2 3.1Å; D201-R206 IonicContact OD2-CZ 2.7Å; D201-R206 IonicContact OD2-NE 3.72Å; D201-R206 IonicContact OD2-NH2 3.69Å; D201-R206 PolarHBondContact OD2-NH2 2.86Å |
| 207 | F | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.6 | 179.9 | -67.1 | -86.3 | 0 | 0 | 0 | 109.6 | L7 D11 Q12 F16 T199 Y200 L202 C205 | L7-F207 HydrophobicContact CB-CD1 3.79Å; L7-F207 HydrophobicContact CB-CE1 3.99Å; L7-F207 HydrophobicContact CB-CG 4.46Å; L7-F207 HydrophobicContact CD1-CD1 4.18Å; L7-F207 HydrophobicContact CD1-CE1 3.6Å; L7-F207 HydrophobicContact CD1-CE2 4.45Å; L7-F207 HydrophobicContact CD1-CZ 3.77Å; L7-F207 HydrophobicContact CG-CE1 4.47Å; L7-F207 CarbonylContact O-C 3.53Å; L7-F207 WeakPolarHBondContact O-CA 3.43Å; D11-F207 HydrophobicContact CB-CE1 4.43Å; Q12-F207 HydrophobicContact CB-CE1 4.3Å; Q12-F207 HydrophobicContact CG-CD1 3.64Å; Q12-F207 HydrophobicContact CG-CE1 3.69Å; Q12-F207 HydrophobicContact CG-CG 4.32Å; Q12-F207 HydrophobicContact CG-CZ 4.4Å; F16-F207 HydrophobicContact CB-CZ 4.41Å; T199-F207 CarbonylContact C-O 3.52Å; T199-F207 WeakPolarHBondContact CA-O 3.49Å; T199-F207 WeakPolarHBondContact CB-O 3.37Å; Y200-F207 HydrophobicContact CD1-CB 3.78Å; Y200-F207 HydrophobicContact CD2-CD2 4.46Å; Y200-F207 HydrophobicContact CE1-CB 3.27Å; Y200-F207 HydrophobicContact CE1-CD2 4.21Å; Y200-F207 AromaticContact CE1-CG 3.97Å; Y200-F207 HydrophobicContact CE1-CG 3.97Å; Y200-F207 HydrophobicContact CE2-CB 4.3Å; Y200-F207 AromaticContact CE2-CD2 3.71Å; Y200-F207 HydrophobicContact CE2-CD2 3.71Å; Y200-F207 HydrophobicContact CE2-CE2 4.47Å; Y200-F207 HydrophobicContact CE2-CG 4.31Å; Y200-F207 AromaticContact CZ-CD2 3.58Å; Y200-F207 AromaticContact CZ-CG 3.71Å; Y200-F207 PolarHBondContact N-O 3.04Å; Y200-F207 PolarHBondContact O-N 3.37Å; L202-F207 HydrophobicContact CB-CD2 4.38Å; L202-F207 HydrophobicContact CB-CE2 4.07Å; L202-F207 HydrophobicContact CD2-CE2 4.15Å; C205-F207 HydrophobicContact CB-CD2 4.32Å; C205-F207 HydrophobicContact CB-CE2 3.65Å; C205-F207 HydrophobicContact CB-CZ 4.07Å |
| 208 | L | 97.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 145.2 | 168.4 | -68.5 | 164.5 | 0 | 0 | 0 | 110.3 | L6 L7 P9 T167 H198 T199 | L6-L208 HydrophobicContact CD1-CD2 4Å; L6-L208 HydrophobicContact CD1-CG 3.97Å; L6-L208 HydrophobicContact CG-CG 4.33Å; L7-L208 PolarHBondContact O-N 3.39Å; P9-L208 WeakPolarHBondContact CG-O 3.49Å; T167-L208 HydrophobicContact CG2-CB 3.82Å; H198-L208 WeakPolarHBondContact O-CA 3.48Å; T199-L208 HydrophobicContact CG2-CD2 3.82Å |
| 209 | C | 97 | Very high | 95.7 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -138.2 | 168.7 | 171.4 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | E163 Y164 H198 T199 Y211 | E163-C209 WeakPolarHBondContact O-CB 3.27Å; Y164-C209 HydrophobicContact CD1-CB 3.54Å; Y164-C209 HydrophobicContact CE1-CB 3.9Å; Y164-C209 HydrophobicContact CG-CB 4.31Å; H198-C209 PolarHBondContact O-N 2.89Å; T199-C209 PolarHBondContact N-SG 3.21Å; T199-C209 VanDerWaalsContact N-SG 3.36Å; C209-Y211 PolarHBondContact O-N 2.92Å | ||
| 210 | L | 97.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | trans | -69.9 | 123 | 174.7 | 175.3 | 65.9 | 0 | 0 | 0 | 109.8 | E163 T166 L169 F172 E197 L212 | E163-L210 HydrophobicContact CB-CB 4.37Å; E163-L210 PolarHBondContact O-N 2.77Å; T166-L210 WeakPolarHBondContact O-CB 3.44Å; T166-L210 PolarHBondContact O-N 3Å; L169-L210 HydrophobicContact CB-CD1 4.32Å; L169-L210 HydrophobicContact CD1-CD2 4.22Å; F172-L210 HydrophobicContact CB-CD2 3.5Å; F172-L210 HydrophobicContact CD1-CD2 4.46Å; F172-L210 HydrophobicContact CD2-CD2 3.84Å; F172-L210 HydrophobicContact CG-CD2 3.69Å; E197-L210 CarbonylContact O-C 3.57Å; L210-L212 HydrophobicContact CD2-CB 4.47Å; L210-L212 HydrophobicContact CD2-CD1 4.23Å; L210-L212 HydrophobicContact CG-CB 4.41Å; L210-L212 PolarHBondContact O-N 3.31Å | ||
| 211 | Y | 97.5 | Very high | 96.1 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | trans | -69.3 | 96.8 | 163.6 | -171.4 | -82.6 | 0 | 0 | 0 | 109.1 | Q196 E197 H198 C209 K213 | Q196-Y211 VanDerWaalsContact C-CD2 3.44Å; Q196-Y211 VanDerWaalsContact C-CE2 3.41Å; Q196-Y211 HydrophobicContact CB-CD2 4.37Å; Q196-Y211 HydrophobicContact CB-CE1 4.23Å; Q196-Y211 HydrophobicContact CB-CE2 3.63Å; Q196-Y211 WeakPolarHBondContact CB-OH 3.36Å; Q196-Y211 HydrophobicContact CG-CE1 3.94Å; Q196-Y211 HydrophobicContact CG-CE2 4.24Å; Q196-Y211 WeakPolarHBondContact CG-OH 3.22Å; Q196-Y211 WeakPolarHBondContact O-CD2 3.39Å; Q196-Y211 WeakPolarHBondContact O-CE2 3.44Å; E197-Y211 VanDerWaalsContact O-CA 3.23Å; E197-Y211 WeakPolarHBondContact O-CA 3.43Å; E197-Y211 PolarHBondContact O-N 3.41Å; H198-Y211 AromaticContact CD2-CD2 3.56Å; H198-Y211 VanDerWaalsContact CE1-CB 3.46Å; H198-Y211 WeakPolarHBondContact CE1-CB 3.41Å; H198-Y211 AromaticContact CE1-CD2 3.41Å; H198-Y211 VanDerWaalsContact CE1-CD2 3.41Å; H198-Y211 WeakPolarHBondContact CE1-CD2 3.18Å; H198-Y211 AromaticContact CE1-CG 3.61Å; H198-Y211 AromaticContact CG-CD2 3.95Å; H198-Y211 AromaticContact ND1-CD2 3.87Å; H198-Y211 AromaticContact NE2-CD2 3.22Å; H198-Y211 WeakPolarHBondContact NE2-CD2 3.48Å; H198-Y211 AromaticContact NE2-CE2 3.71Å; H198-Y211 AromaticContact NE2-CG 3.88Å; C209-Y211 PolarHBondContact O-N 2.92Å; Y211-K213 HydrophobicContact CD1-CG 4.3Å; Y211-K213 HydrophobicContact CE1-CG 3.92Å | ||
| 212 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -97.5 | 127.7 | -177.9 | -176.1 | 64.2 | 0 | 0 | 0 | 110.3 | L169 F172 Y195 Q196 L210 E216 L217 Y242 | L169-L212 HydrophobicContact CD1-CD1 4.15Å; F172-L212 HydrophobicContact CE1-CD1 4.22Å; F172-L212 HydrophobicContact CE1-CD2 4.41Å; F172-L212 HydrophobicContact CE2-CD2 3.91Å; F172-L212 HydrophobicContact CZ-CD1 4.32Å; F172-L212 HydrophobicContact CZ-CD2 3.72Å; Y195-L212 WeakPolarHBondContact CA-O 3.43Å; Y195-L212 HydrophobicContact CD1-CG 4.33Å; Q196-L212 PolarHBondContact N-O 2.98Å; L210-L212 HydrophobicContact CD2-CB 4.47Å; L210-L212 HydrophobicContact CD2-CD1 4.23Å; L210-L212 HydrophobicContact CG-CB 4.41Å; L210-L212 PolarHBondContact O-N 3.31Å; L212-E216 HydrophobicContact CD1-CB 3.98Å; L212-L217 HydrophobicContact CD1-CB 4.41Å; L212-L217 HydrophobicContact CD2-CB 4.2Å; L212-L217 HydrophobicContact CD2-CD1 4.27Å; L212-L217 HydrophobicContact CG-CB 4.38Å; L212-Y242 HydrophobicContact CD2-CE1 4.2Å | ||
| 213 | K | 97.2 | Very high | 96.7 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | trans | -93.5 | 157.5 | 168.7 | -60.5 | 175.9 | -177.4 | 171.6 | 0 | 111.4 | Y211 E215 E216 L217 | Y211-K213 HydrophobicContact CD1-CG 4.3Å; Y211-K213 HydrophobicContact CE1-CG 3.92Å; K213-E215 VanDerWaalsContact C-N 3.33Å; K213-E215 WeakPolarHBondContact CB-OE2 3.31Å; K213-E215 PolarHBondContact O-N 3.34Å; K213-E216 HydrophobicContact CB-CB 4.36Å; K213-E216 HydrophobicContact CB-CG 4.1Å; K213-E216 WeakPolarHBondContact CB-OE2 3.24Å; K213-E216 PolarHBondContact N-OE2 3.32Å; K213-E216 WeakPolarHBondContact O-CB 3.37Å; K213-E216 PolarHBondContact O-N 3.47Å; K213-L217 PolarHBondContact O-N 3.09Å | ||
| 214 | E | 96.7 | Very high | 97 | Very high | 76 Ų | 76 | 53 Ų | 53 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 177.2 | -175.9 | 177.6 | 165 | 0 | 0 | 111.7 | Y195 E216 L217 M218 Y235 | Y195-E214 HydrophobicContact CE1-CB 4.19Å; Y195-E214 HydrophobicContact CE2-CB 4.39Å; E214-E216 VanDerWaalsContact C-N 3.28Å; E214-E216 PolarHBondContact O-N 3.25Å; E214-L217 WeakPolarHBondContact O-CB 3.43Å; E214-L217 PolarHBondContact O-N 3.22Å; E214-M218 HydrophobicContact CG-CE 4.32Å; E214-M218 HydrophobicContact CG-CG 4.47Å; E214-M218 WeakPolarHBondContact O-CG 3.46Å; E214-M218 PolarHBondContact O-N 2.89Å; E214-Y235 WeakPolarHBondContact CG-OH 3.39Å; E214-Y235 VanDerWaalsContact OE1-CE1 3.27Å; E214-Y235 WeakPolarHBondContact OE1-CE1 3.46Å; E214-Y235 PolarHBondContact OE1-OH 3.25Å |
| 215 | E | 97.1 | Very high | 97.3 | Very high | 136 Ų | 136 | 47.4 Ų | 47.4 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.9 | -35.8 | -179.7 | -54.1 | 81.6 | -176.3 | 0 | 0 | 111.7 | K213 M218 E219 | K213-E215 VanDerWaalsContact C-N 3.33Å; K213-E215 WeakPolarHBondContact CB-OE2 3.31Å; K213-E215 PolarHBondContact O-N 3.34Å; E215-M218 PolarHBondContact O-N 3.02Å; E215-E219 WeakPolarHBondContact O-CB 3.36Å; E215-E219 PolarHBondContact O-N 3.29Å |
| 216 | E | 98.1 | Very high | 97.5 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.2 | -39.1 | 176.8 | -68.1 | 170.6 | 158.9 | 0 | 0 | 111.4 | L169 L212 K213 E214 S220 | L169-E216 HydrophobicContact CD1-CB 4.1Å; L169-E216 HydrophobicContact CD2-CB 4.27Å; L169-E216 HydrophobicContact CD2-CG 4Å; L212-E216 HydrophobicContact CD1-CB 3.98Å; K213-E216 HydrophobicContact CB-CB 4.36Å; K213-E216 HydrophobicContact CB-CG 4.1Å; K213-E216 WeakPolarHBondContact CB-OE2 3.24Å; K213-E216 PolarHBondContact N-OE2 3.32Å; K213-E216 WeakPolarHBondContact O-CB 3.37Å; K213-E216 PolarHBondContact O-N 3.47Å; E214-E216 VanDerWaalsContact C-N 3.28Å; E214-E216 PolarHBondContact O-N 3.25Å; E216-S220 VanDerWaalsContact O-CB 3.27Å; E216-S220 WeakPolarHBondContact O-CB 3.47Å; E216-S220 PolarHBondContact O-N 2.86Å; E216-S220 PolarHBondContact O-OG 3.5Å |
| 217 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -51.4 | 172.6 | 175.9 | 67.6 | 0 | 0 | 0 | 110.9 | F172 L191 Y195 L212 K213 E214 E219 S220 L221 Y242 I244 | F172-L217 HydrophobicContact CE1-CD1 4.31Å; F172-L217 HydrophobicContact CZ-CD1 3.93Å; L191-L217 HydrophobicContact CD2-CD1 3.88Å; Y195-L217 HydrophobicContact CE1-CB 4.09Å; Y195-L217 HydrophobicContact CE1-CD2 3.8Å; Y195-L217 WeakPolarHBondContact OH-CD2 3.37Å; L212-L217 HydrophobicContact CD1-CB 4.41Å; L212-L217 HydrophobicContact CD2-CB 4.2Å; L212-L217 HydrophobicContact CD2-CD1 4.27Å; L212-L217 HydrophobicContact CG-CB 4.38Å; K213-L217 PolarHBondContact O-N 3.09Å; E214-L217 WeakPolarHBondContact O-CB 3.43Å; E214-L217 PolarHBondContact O-N 3.22Å; L217-E219 VanDerWaalsContact C-N 3.31Å; L217-E219 PolarHBondContact O-N 3.24Å; L217-S220 WeakPolarHBondContact O-CA 3.05Å; L217-S220 WeakPolarHBondContact O-CB 3.47Å; L217-S220 PolarHBondContact O-N 2.85Å; L217-L221 HydrophobicContact CD1-CD1 4.38Å; L217-L221 HydrophobicContact CD1-CG 4.31Å; L217-L221 HydrophobicContact CG-CD1 4.06Å; L217-L221 HydrophobicContact CG-CG 4.43Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.37Å; L217-Y242 HydrophobicContact CD1-CE2 4.21Å; L217-Y242 HydrophobicContact CD2-CD1 4.24Å; L217-Y242 HydrophobicContact CD2-CD2 3.6Å; L217-Y242 HydrophobicContact CD2-CE1 4.11Å; L217-Y242 HydrophobicContact CD2-CE2 3.46Å; L217-Y242 VanDerWaalsContact CD2-CE2 3.46Å; L217-Y242 HydrophobicContact CD2-CG 4Å; L217-Y242 HydrophobicContact CG-CE2 4.5Å; L217-I244 HydrophobicContact CD2-CD1 3.73Å; L217-I244 HydrophobicContact CG-CD1 4.43Å |
| 218 | M | 97.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -42 | -177.2 | -67.4 | -58.8 | 175.5 | 0 | 0 | 112 | E214 E215 L221 R222 F233 Y235 | E214-M218 HydrophobicContact CG-CE 4.32Å; E214-M218 HydrophobicContact CG-CG 4.47Å; E214-M218 WeakPolarHBondContact O-CG 3.46Å; E214-M218 PolarHBondContact O-N 2.89Å; E215-M218 PolarHBondContact O-N 3.02Å; M218-L221 PolarHBondContact O-N 2.93Å; M218-L221 HydrophobicContact SD-CD1 4.06Å; M218-R222 WeakPolarHBondContact O-CG 3.04Å; M218-R222 PolarHBondContact O-N 3.16Å; M218-R222 VanDerWaalsContact O-N 3.15Å; M218-F233 HydrophobicContact SD-CZ 4.37Å; M218-Y235 HydrophobicContact CE-CD1 3.46Å; M218-Y235 VanDerWaalsContact CE-CD1 3.46Å; M218-Y235 HydrophobicContact CE-CD2 3.72Å; M218-Y235 HydrophobicContact CE-CE1 3.39Å; M218-Y235 HydrophobicContact CE-CE2 3.61Å; M218-Y235 HydrophobicContact CE-CG 3.62Å; M218-Y235 VanDerWaalsContact CE-CZ 3.46Å |
| 219 | E | 98.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 52.6 Ų | 52.6 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 174.2 | 179.5 | 54.2 | -158.5 | 0 | 0 | 111.9 | E215 L217 L221 R222 Q223 | E215-E219 WeakPolarHBondContact O-CB 3.36Å; E215-E219 PolarHBondContact O-N 3.29Å; L217-E219 VanDerWaalsContact C-N 3.31Å; L217-E219 PolarHBondContact O-N 3.24Å; E219-L221 PolarHBondContact O-N 3.45Å; E219-R222 PolarHBondContact O-N 3.36Å; E219-R222 IonicContact OE2-NE 3.98Å; E219-Q223 WeakPolarHBondContact O-CB 3.32Å; E219-Q223 VanDerWaalsContact O-CG 3.31Å; E219-Q223 WeakPolarHBondContact O-CG 3.49Å; E219-Q223 PolarHBondContact O-N 2.99Å; E219-Q223 WeakPolarHBondContact OE1-CG 3.13Å; E219-Q223 PolarHBondContact OE1-NE2 2.98Å |
| 220 | S | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | R173 E216 L217 Q223 A224 | R173-S220 WeakPolarHBondContact CG-OG 3.22Å; R173-S220 PolarHBondContact NE-OG 3.19Å; E216-S220 VanDerWaalsContact O-CB 3.27Å; E216-S220 WeakPolarHBondContact O-CB 3.47Å; E216-S220 PolarHBondContact O-N 2.86Å; E216-S220 PolarHBondContact O-OG 3.5Å; L217-S220 WeakPolarHBondContact O-CA 3.05Å; L217-S220 WeakPolarHBondContact O-CB 3.47Å; L217-S220 PolarHBondContact O-N 2.85Å; S220-Q223 PolarHBondContact O-N 3.1Å; S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 2.82Å |
| 221 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 173.7 | -67.7 | 165.1 | 0 | 0 | 0 | 111.3 | L176 L189 L191 L217 M218 E219 Q223 A224 G225 I226 I228 F233 I244 | L176-L221 HydrophobicContact CD2-CD2 4.17Å; L189-L221 HydrophobicContact CD2-CD2 4.47Å; L191-L221 HydrophobicContact CD2-CD2 3.78Å; L217-L221 HydrophobicContact CD1-CD1 4.38Å; L217-L221 HydrophobicContact CD1-CG 4.31Å; L217-L221 HydrophobicContact CG-CD1 4.06Å; L217-L221 HydrophobicContact CG-CG 4.43Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.37Å; M218-L221 PolarHBondContact O-N 2.93Å; M218-L221 HydrophobicContact SD-CD1 4.06Å; E219-L221 PolarHBondContact O-N 3.45Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.36Å; L221-A224 CarbonylContact O-C 3.52Å; L221-A224 WeakPolarHBondContact O-CA 3.41Å; L221-A224 WeakPolarHBondContact O-CB 3.48Å; L221-A224 PolarHBondContact O-N 2.95Å; L221-G225 PolarHBondContact O-N 3.22Å; L221-I226 HydrophobicContact CB-CB 4.22Å; L221-I226 HydrophobicContact CB-CD1 4.24Å; L221-I226 HydrophobicContact CD2-CD1 3.43Å; L221-I226 VanDerWaalsContact CD2-CD1 3.43Å; L221-I226 HydrophobicContact CG-CD1 4.45Å; L221-I226 WeakPolarHBondContact O-CB 3.06Å; L221-I226 PolarHBondContact O-N 2.92Å; L221-I228 HydrophobicContact CB-CG2 4.1Å; L221-I228 HydrophobicContact CD1-CG2 4.48Å; L221-F233 HydrophobicContact CD1-CE2 4.3Å; L221-F233 HydrophobicContact CD1-CZ 4.17Å; L221-I244 HydrophobicContact CD1-CD1 3.59Å |
| 222 | R | 97.8 | Very high | 96.9 | Very high | 123 Ų | 123 | 56.5 Ų | 56.5 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 176.5 | -73.4 | 173.6 | 52.6 | 78.3 | 5.6 | 111.7 | M218 E219 A224 G225 I228 | M218-R222 WeakPolarHBondContact O-CG 3.04Å; M218-R222 PolarHBondContact O-N 3.16Å; M218-R222 VanDerWaalsContact O-N 3.15Å; E219-R222 PolarHBondContact O-N 3.36Å; E219-R222 IonicContact OE2-NE 3.98Å; R222-A224 PolarHBondContact O-N 3.23Å; R222-G225 PolarHBondContact O-N 2.94Å; R222-I228 HydrophobicContact CG-CD1 3.93Å; R222-I228 HydrophobicContact CG-CG1 4.05Å; R222-I228 HydrophobicContact CG-CG2 4.17Å |
| 223 | Q | 97.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 58 Ų | 58 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.1 | -25.2 | 176.6 | -71.9 | -179.2 | 17.7 | 0 | 0 | 113.2 | K177 E219 S220 L221 G225 | K177-Q223 WeakPolarHBondContact CE-O 3.3Å; E219-Q223 WeakPolarHBondContact O-CB 3.32Å; E219-Q223 VanDerWaalsContact O-CG 3.31Å; E219-Q223 WeakPolarHBondContact O-CG 3.49Å; E219-Q223 PolarHBondContact O-N 2.99Å; E219-Q223 WeakPolarHBondContact OE1-CG 3.13Å; E219-Q223 PolarHBondContact OE1-NE2 2.98Å; S220-Q223 PolarHBondContact O-N 3.1Å; L221-Q223 VanDerWaalsContact C-N 3.34Å; L221-Q223 PolarHBondContact O-N 3.36Å; Q223-G225 VanDerWaalsContact C-N 3.26Å |
| 224 | A | 97.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 57 Ų | 57 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L176 K177 V180 S220 L221 R222 | L176-A224 HydrophobicContact CD2-CB 4.23Å; L176-A224 HydrophobicContact CG-CB 4.05Å; K177-A224 HydrophobicContact CG-CB 4.01Å; V180-A224 HydrophobicContact CG2-CB 4.09Å; S220-A224 WeakPolarHBondContact O-CB 3.44Å; S220-A224 PolarHBondContact O-N 2.82Å; L221-A224 CarbonylContact O-C 3.52Å; L221-A224 WeakPolarHBondContact O-CA 3.41Å; L221-A224 WeakPolarHBondContact O-CB 3.48Å; L221-A224 PolarHBondContact O-N 2.95Å; R222-A224 PolarHBondContact O-N 3.23Å |
| 225 | G | 96.5 | Very high | 96.6 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 13.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L221 R222 Q223 | L221-G225 PolarHBondContact O-N 3.22Å; R222-G225 PolarHBondContact O-N 2.94Å; Q223-G225 VanDerWaalsContact C-N 3.26Å |
| 226 | I | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -85.6 | 124.3 | 178 | -62.1 | 164.5 | 0 | 0 | 0 | 109.6 | V180 L189 L221 I228 F233 A246 I248 | V180-I226 HydrophobicContact CG2-CD1 3.92Å; V180-I226 HydrophobicContact CG2-CG1 4.43Å; L189-I226 HydrophobicContact CD2-CD1 3.5Å; L189-I226 VanDerWaalsContact CD2-CD1 3.5Å; L221-I226 HydrophobicContact CB-CB 4.22Å; L221-I226 HydrophobicContact CB-CD1 4.24Å; L221-I226 HydrophobicContact CD2-CD1 3.43Å; L221-I226 VanDerWaalsContact CD2-CD1 3.43Å; L221-I226 HydrophobicContact CG-CD1 4.45Å; L221-I226 WeakPolarHBondContact O-CB 3.06Å; L221-I226 PolarHBondContact O-N 2.92Å; I226-I228 HydrophobicContact CG2-CG2 4.44Å; I226-I228 PolarHBondContact O-N 2.92Å; I226-F233 HydrophobicContact CG2-CD2 4.04Å; I226-F233 HydrophobicContact CG2-CE2 4.05Å; I226-A246 HydrophobicContact CG2-CB 3.76Å; I226-I248 HydrophobicContact CG1-CD1 3.98Å | ||
| 227 | D | 96.9 | Very high | 96 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | trans | -80.1 | 92.3 | 173.9 | -178.4 | 9.6 | 0 | 0 | 0 | 110.2 | Y229 S230 R249 | D227-Y229 PolarHBondContact O-N 3.41Å; D227-Y229 VanDerWaalsContact O-N 3.17Å; D227-Y229 PolarHBondContact OD1-N 3.37Å; D227-Y229 VanDerWaalsContact OD1-N 3.12Å; D227-S230 WeakPolarHBondContact O-CB 3.23Å; D227-S230 PolarHBondContact O-N 2.96Å; D227-S230 VanDerWaalsContact O-N 3.08Å; D227-S230 PolarHBondContact OD1-N 2.78Å; D227-R249 IonicContact OD2-CZ 3.72Å; D227-R249 VanDerWaalsContact OD2-CZ 3.25Å; D227-R249 IonicContact OD2-NH1 3.4Å; D227-R249 PolarHBondContact OD2-NH1 3.37Å; D227-R249 VanDerWaalsContact OD2-NH1 3.07Å; D227-R249 IonicContact OD2-NH2 2.8Å; D227-R249 PolarHBondContact OD2-NH2 3.35Å | ||
| 228 | I | 96.5 | Very high | 95.3 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9 | 179.1 | 67.7 | 168.4 | 0 | 0 | 0 | 113.8 | L221 R222 I226 F233 | L221-I228 HydrophobicContact CB-CG2 4.1Å; L221-I228 HydrophobicContact CD1-CG2 4.48Å; R222-I228 HydrophobicContact CG-CD1 3.93Å; R222-I228 HydrophobicContact CG-CG1 4.05Å; R222-I228 HydrophobicContact CG-CG2 4.17Å; I226-I228 HydrophobicContact CG2-CG2 4.44Å; I226-I228 PolarHBondContact O-N 2.92Å; I228-F233 HydrophobicContact CB-CD1 4.36Å; I228-F233 HydrophobicContact CB-CD2 4.49Å; I228-F233 HydrophobicContact CB-CE1 4.14Å; I228-F233 HydrophobicContact CB-CE2 4.3Å; I228-F233 HydrophobicContact CB-CZ 4.12Å; I228-F233 HydrophobicContact CG2-CD2 4.42Å; I228-F233 HydrophobicContact CG2-CE1 4.43Å; I228-F233 HydrophobicContact CG2-CE2 3.89Å; I228-F233 HydrophobicContact CG2-CZ 3.9Å; I228-F233 WeakPolarHBondContact O-CD1 3.42Å |
| 229 | Y | 95.6 | Very high | 94.7 | Very high | 181 Ų | 181 | 63 Ų | 63 | 71% | 0.71 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 2.1 | 175.1 | -57 | -67.3 | 0 | 0 | 0 | 112.4 | D227 | D227-Y229 PolarHBondContact O-N 3.41Å; D227-Y229 VanDerWaalsContact O-N 3.17Å; D227-Y229 PolarHBondContact OD1-N 3.37Å; D227-Y229 VanDerWaalsContact OD1-N 3.12Å |
| 230 | S | 95.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -63.7 | 140.9 | 176.9 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | D227 T232 F233 R249 | D227-S230 WeakPolarHBondContact O-CB 3.23Å; D227-S230 PolarHBondContact O-N 2.96Å; D227-S230 VanDerWaalsContact O-N 3.08Å; D227-S230 PolarHBondContact OD1-N 2.78Å; S230-T232 PolarHBondContact O-N 2.84Å; S230-T232 PolarHBondContact OG-OG1 2.81Å; S230-F233 VanDerWaalsContact O-CB 3.31Å; S230-F233 WeakPolarHBondContact O-CB 3.39Å; S230-F233 PolarHBondContact O-N 3.01Å; S230-R249 PolarHBondContact OG-NH2 3.21Å |
| 231 | P | 93.8 | Very high | 93.8 | Very high | 118 Ų | 118 | 62.2 Ų | 62.2 | 77% | 0.766 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.9 | 172.9 | -24 | 34 | 0 | 0 | 0 | 114.4 | ||
| 232 | T | 92.5 | Very high | 93.5 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 2.2 | 177.1 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | W188 S230 F234 S247 | W188-T232 HydrophobicContact CH2-CG2 4.1Å; S230-T232 PolarHBondContact O-N 2.84Å; S230-T232 PolarHBondContact OG-OG1 2.81Å; T232-F234 WeakPolarHBondContact O-CD2 3.44Å; T232-S247 PolarHBondContact OG1-OG 2.79Å |
| 233 | F | 96.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | trans | -86.1 | 116.5 | 171.9 | -175.8 | -95.4 | 0 | 0 | 0 | 108.9 | M218 L221 I226 I228 S230 I244 L245 A246 | M218-F233 HydrophobicContact SD-CZ 4.37Å; L221-F233 HydrophobicContact CD1-CE2 4.3Å; L221-F233 HydrophobicContact CD1-CZ 4.17Å; I226-F233 HydrophobicContact CG2-CD2 4.04Å; I226-F233 HydrophobicContact CG2-CE2 4.05Å; I228-F233 HydrophobicContact CB-CD1 4.36Å; I228-F233 HydrophobicContact CB-CD2 4.49Å; I228-F233 HydrophobicContact CB-CE1 4.14Å; I228-F233 HydrophobicContact CB-CE2 4.3Å; I228-F233 HydrophobicContact CB-CZ 4.12Å; I228-F233 HydrophobicContact CG2-CD2 4.42Å; I228-F233 HydrophobicContact CG2-CE1 4.43Å; I228-F233 HydrophobicContact CG2-CE2 3.89Å; I228-F233 HydrophobicContact CG2-CZ 3.9Å; I228-F233 WeakPolarHBondContact O-CD1 3.42Å; S230-F233 VanDerWaalsContact O-CB 3.31Å; S230-F233 WeakPolarHBondContact O-CB 3.39Å; S230-F233 PolarHBondContact O-N 3.01Å; F233-I244 HydrophobicContact CD2-CG2 4.3Å; F233-I244 HydrophobicContact CE2-CG2 3.59Å; F233-I244 HydrophobicContact CZ-CD1 4.5Å; F233-I244 HydrophobicContact CZ-CG1 4.43Å; F233-I244 HydrophobicContact CZ-CG2 3.98Å; F233-L245 WeakPolarHBondContact CA-O 3.38Å; F233-A246 HydrophobicContact CD2-CB 3.79Å; F233-A246 HydrophobicContact CE2-CB 4.23Å | ||
| 234 | F | 94.8 | Very high | 93.3 | Very high | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.4 | 173.6 | -59.5 | -86.7 | 0 | 0 | 0 | 108.2 | T232 I244 L245 | T232-F234 WeakPolarHBondContact O-CD2 3.44Å; F234-I244 CarbonylContact O-C 3.53Å; F234-I244 WeakPolarHBondContact O-CA 3.44Å; F234-L245 HydrophobicContact CB-CB 4.26Å; F234-L245 HydrophobicContact CD2-CB 4.29Å; F234-L245 HydrophobicContact CD2-CD2 3.93Å; F234-L245 HydrophobicContact CD2-CG 4.3Å; F234-L245 HydrophobicContact CE2-CD2 4.41Å; F234-L245 PolarHBondContact N-O 3.31Å; F234-L245 PolarHBondContact O-N 3.29Å |
| 235 | Y | 94.3 | Very high | 93.2 | Very high | 63 Ų | 63 | 52.3 Ų | 52.3 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.1 | 174 | 169.3 | -121.6 | 0 | 0 | 0 | 108.3 | Y195 E214 M218 T237 I244 | Y195-Y235 WeakPolarHBondContact CE2-OH 3.43Å; Y195-Y235 WeakPolarHBondContact OH-CE2 3Å; Y195-Y235 PolarHBondContact OH-OH 2.89Å; E214-Y235 WeakPolarHBondContact CG-OH 3.39Å; E214-Y235 VanDerWaalsContact OE1-CE1 3.27Å; E214-Y235 WeakPolarHBondContact OE1-CE1 3.46Å; E214-Y235 PolarHBondContact OE1-OH 3.25Å; M218-Y235 HydrophobicContact CE-CD1 3.46Å; M218-Y235 VanDerWaalsContact CE-CD1 3.46Å; M218-Y235 HydrophobicContact CE-CD2 3.72Å; M218-Y235 HydrophobicContact CE-CE1 3.39Å; M218-Y235 HydrophobicContact CE-CE2 3.61Å; M218-Y235 HydrophobicContact CE-CG 3.62Å; M218-Y235 VanDerWaalsContact CE-CZ 3.46Å; Y235-T237 HydrophobicContact CE1-CG2 4.22Å; Y235-T237 WeakPolarHBondContact OH-CB 3.41Å; Y235-I244 HydrophobicContact CD2-CD1 4.09Å; Y235-I244 HydrophobicContact CD2-CG1 3.61Å; Y235-I244 HydrophobicContact CE2-CG1 4.4Å; Y235-I244 HydrophobicContact CG-CG1 4.46Å |
| 236 | Y | 91.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 49.4 Ų | 49.4 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.1 | 172.6 | -177 | -96.2 | 0 | 0 | 0 | 108.8 | T37 F41 F238 Y242 V243 | T37-Y236 HydrophobicContact CG2-CD1 4.11Å; T37-Y236 HydrophobicContact CG2-CE1 3.9Å; F41-Y236 AromaticContact CD2-CD1 3.99Å; F41-Y236 HydrophobicContact CD2-CD1 3.99Å; F41-Y236 HydrophobicContact CD2-CE1 4.09Å; F41-Y236 HydrophobicContact CE1-CD1 4.08Å; F41-Y236 HydrophobicContact CE1-CD2 4.09Å; F41-Y236 HydrophobicContact CE1-CE1 4.39Å; F41-Y236 HydrophobicContact CE1-CE2 4.41Å; F41-Y236 AromaticContact CE1-CG 3.91Å; F41-Y236 HydrophobicContact CE1-CG 3.91Å; F41-Y236 AromaticContact CE2-CD1 3.37Å; F41-Y236 HydrophobicContact CE2-CD1 3.37Å; F41-Y236 HydrophobicContact CE2-CD2 4.47Å; F41-Y236 AromaticContact CE2-CE1 3.14Å; F41-Y236 HydrophobicContact CE2-CE1 3.14Å; F41-Y236 HydrophobicContact CE2-CE2 4.3Å; F41-Y236 HydrophobicContact CE2-CG 4.04Å; F41-Y236 AromaticContact CE2-CZ 3.67Å; F41-Y236 AromaticContact CZ-CD1 3.42Å; F41-Y236 HydrophobicContact CZ-CD1 3.42Å; F41-Y236 VanDerWaalsContact CZ-CD1 3.42Å; F41-Y236 AromaticContact CZ-CD2 3.7Å; F41-Y236 HydrophobicContact CZ-CD2 3.7Å; F41-Y236 AromaticContact CZ-CE1 3.33Å; F41-Y236 HydrophobicContact CZ-CE1 3.33Å; F41-Y236 AromaticContact CZ-CE2 3.62Å; F41-Y236 HydrophobicContact CZ-CE2 3.62Å; F41-Y236 AromaticContact CZ-CG 3.59Å; F41-Y236 HydrophobicContact CZ-CG 3.59Å; F41-Y236 AromaticContact CZ-CZ 3.44Å; F41-Y236 VanDerWaalsContact CZ-CZ 3.44Å; Y236-F238 HydrophobicContact CD1-CB 4.48Å; Y236-F238 HydrophobicContact CE1-CB 3.57Å; Y236-Y242 CarbonylContact O-C 3.6Å; Y236-Y242 WeakPolarHBondContact O-CA 3.33Å; Y236-V243 PolarHBondContact N-O 3.02Å; Y236-V243 PolarHBondContact O-N 2.77Å |
| 237 | T | 89.6 | Confident | 93.2 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.5 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | Y235 A241 | Y235-T237 HydrophobicContact CE1-CG2 4.22Å; Y235-T237 WeakPolarHBondContact OH-CB 3.41Å; T237-A241 WeakPolarHBondContact CA-O 3.47Å; T237-A241 PolarHBondContact OG1-O 3.03Å |
| 238 | F | 84.7 | Confident | 93.1 | Very high | 85 Ų | 85 | 48.3 Ų | 48.3 | 37% | 0.373 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 121.8 | 173.7 | -177 | -95.9 | 0 | 0 | 0 | 108.9 | T37 Y236 D240 A241 | T37-F238 HydrophobicContact CG2-CB 4.16Å; Y236-F238 HydrophobicContact CD1-CB 4.48Å; Y236-F238 HydrophobicContact CE1-CB 3.57Å; F238-D240 PolarHBondContact O-N 3.19Å; F238-A241 PolarHBondContact N-O 2.96Å; F238-A241 PolarHBondContact O-N 3.35Å |
| 239 | E | 84.2 | Confident | 92.5 | Very high | 124 Ų | 124 | 56 Ų | 56 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | -118.1 | -169.4 | -61.4 | 177.6 | 168.3 | 0 | 0 | 110.7 | H33 | H33-E239 VanDerWaalsContact CB-OE2 3.26Å; H33-E239 WeakPolarHBondContact CB-OE2 3.41Å; H33-E239 IonicContact CD2-OE2 3.07Å; H33-E239 IonicContact CG-OE2 3.7Å |
| 240 | D | 86.9 | Confident | 92.4 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6 | 177.7 | 52.3 | 7.6 | 0 | 0 | 0 | 112.9 | A194 Y195 F238 | A194-D240 CarbonylContact C-O 3.58Å; A194-D240 WeakPolarHBondContact CA-O 3.3Å; Y195-D240 PolarHBondContact N-O 2.71Å; F238-D240 PolarHBondContact O-N 3.19Å |
| 241 | A | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 146.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G34 G193 T237 F238 | G34-A241 VanDerWaalsContact CA-CB 3.41Å; G193-A241 WeakPolarHBondContact O-CA 3.49Å; T237-A241 WeakPolarHBondContact CA-O 3.47Å; T237-A241 PolarHBondContact OG1-O 3.03Å; F238-A241 PolarHBondContact N-O 2.96Å; F238-A241 PolarHBondContact O-N 3.35Å |
| 242 | Y | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 153.8 | 173.6 | 66.3 | -89.8 | 0 | 0 | 0 | 113 | L191 G192 G193 Y195 L212 L217 Y236 I244 | L191-Y242 HydrophobicContact CD2-CE2 4.19Å; L191-Y242 HydrophobicContact CG-CE2 3.99Å; G192-Y242 WeakPolarHBondContact CA-O 3.49Å; G193-Y242 PolarHBondContact N-O 3.48Å; G193-Y242 VanDerWaalsContact N-O 3.13Å; G193-Y242 WeakPolarHBondContact O-CD1 3.36Å; G193-Y242 PolarHBondContact O-N 2.97Å; Y195-Y242 AromaticContact CD1-CD1 3.86Å; Y195-Y242 HydrophobicContact CD1-CD1 3.86Å; Y195-Y242 HydrophobicContact CD1-CE1 4.02Å; Y195-Y242 AromaticContact CD2-CD1 3.95Å; Y195-Y242 HydrophobicContact CD2-CD1 3.95Å; Y195-Y242 AromaticContact CE1-CD1 3.46Å; Y195-Y242 HydrophobicContact CE1-CD1 3.46Å; Y195-Y242 VanDerWaalsContact CE1-CD1 3.46Å; Y195-Y242 AromaticContact CE1-CE1 3.72Å; Y195-Y242 HydrophobicContact CE1-CE1 3.72Å; Y195-Y242 HydrophobicContact CE1-CG 4.17Å; Y195-Y242 AromaticContact CE2-CD1 3.59Å; Y195-Y242 HydrophobicContact CE2-CD1 3.59Å; Y195-Y242 AromaticContact CE2-CG 3.92Å; Y195-Y242 HydrophobicContact CE2-CG 3.92Å; Y195-Y242 HydrophobicContact CG-CD1 4.08Å; Y195-Y242 AromaticContact CZ-CD1 3.31Å; Y195-Y242 AromaticContact CZ-CG 3.63Å; L212-Y242 HydrophobicContact CD2-CE1 4.2Å; L217-Y242 HydrophobicContact CD1-CE2 4.21Å; L217-Y242 HydrophobicContact CD2-CD1 4.24Å; L217-Y242 HydrophobicContact CD2-CD2 3.6Å; L217-Y242 HydrophobicContact CD2-CE1 4.11Å; L217-Y242 HydrophobicContact CD2-CE2 3.46Å; L217-Y242 VanDerWaalsContact CD2-CE2 3.46Å; L217-Y242 HydrophobicContact CD2-CG 4Å; L217-Y242 HydrophobicContact CG-CE2 4.5Å; Y236-Y242 CarbonylContact O-C 3.6Å; Y236-Y242 WeakPolarHBondContact O-CA 3.33Å; Y242-I244 HydrophobicContact CD2-CD1 4.08Å; Y242-I244 HydrophobicContact CD2-CG1 4.44Å; Y242-I244 HydrophobicContact CE2-CD1 4.37Å |
| 243 | V | 94.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 136.9 | 169.9 | -142.7 | 0 | 0 | 0 | 0 | 110.6 | T37 I38 F45 L191 Y236 | T37-V243 HydrophobicContact CG2-CG2 4.24Å; I38-V243 HydrophobicContact CG1-CB 4.47Å; I38-V243 HydrophobicContact CG1-CG1 4.07Å; I38-V243 HydrophobicContact CG1-CG2 3.56Å; F45-V243 HydrophobicContact CD2-CG1 4.38Å; F45-V243 HydrophobicContact CE2-CB 3.99Å; F45-V243 HydrophobicContact CE2-CG1 3.37Å; F45-V243 HydrophobicContact CZ-CB 3.94Å; F45-V243 HydrophobicContact CZ-CG1 3.87Å; L191-V243 CarbonylContact O-C 3.52Å; L191-V243 WeakPolarHBondContact O-CA 3.46Å; Y236-V243 PolarHBondContact N-O 3.02Å; Y236-V243 PolarHBondContact O-N 2.77Å |
| 244 | I | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.9 | -176.5 | -67.3 | 162.1 | 0 | 0 | 0 | 109.5 | I190 L191 L217 L221 F233 F234 Y235 Y242 A246 | I190-I244 CarbonylContact C-O 3.53Å; I190-I244 WeakPolarHBondContact CA-O 3.46Å; L191-I244 HydrophobicContact CB-CB 4.25Å; L191-I244 HydrophobicContact CD2-CD1 4.19Å; L191-I244 PolarHBondContact N-O 3.18Å; L191-I244 PolarHBondContact O-N 3.01Å; L217-I244 HydrophobicContact CD2-CD1 3.73Å; L217-I244 HydrophobicContact CG-CD1 4.43Å; L221-I244 HydrophobicContact CD1-CD1 3.59Å; F233-I244 HydrophobicContact CD2-CG2 4.3Å; F233-I244 HydrophobicContact CE2-CG2 3.59Å; F233-I244 HydrophobicContact CZ-CD1 4.5Å; F233-I244 HydrophobicContact CZ-CG1 4.43Å; F233-I244 HydrophobicContact CZ-CG2 3.98Å; F234-I244 CarbonylContact O-C 3.53Å; F234-I244 WeakPolarHBondContact O-CA 3.44Å; Y235-I244 HydrophobicContact CD2-CD1 4.09Å; Y235-I244 HydrophobicContact CD2-CG1 3.61Å; Y235-I244 HydrophobicContact CE2-CG1 4.4Å; Y235-I244 HydrophobicContact CG-CG1 4.46Å; Y242-I244 HydrophobicContact CD2-CD1 4.08Å; Y242-I244 HydrophobicContact CD2-CG1 4.44Å; Y242-I244 HydrophobicContact CE2-CD1 4.37Å; I244-A246 HydrophobicContact CG2-CB 4.26Å |
| 245 | L | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.4 | 163.3 | 174.1 | 68.1 | 0 | 0 | 0 | 108 | F45 R48 L49 W188 L189 I190 F233 F234 | F45-L245 HydrophobicContact CB-CD2 4.33Å; F45-L245 HydrophobicContact CD1-CB 4.13Å; F45-L245 HydrophobicContact CD1-CD2 4.26Å; F45-L245 HydrophobicContact CD2-CB 4.18Å; F45-L245 HydrophobicContact CE1-CB 4.1Å; F45-L245 HydrophobicContact CE2-CB 4.09Å; F45-L245 HydrophobicContact CG-CB 4.18Å; F45-L245 HydrophobicContact CG-CD2 4.33Å; F45-L245 HydrophobicContact CZ-CB 4.07Å; R48-L245 HydrophobicContact CB-CD2 3.89Å; L49-L245 HydrophobicContact CD2-CD1 3.94Å; L49-L245 HydrophobicContact CG-CD1 4.29Å; W188-L245 HydrophobicContact CE3-CD1 3.75Å; W188-L245 HydrophobicContact CE3-CD2 4.49Å; W188-L245 HydrophobicContact CE3-CG 3.99Å; W188-L245 HydrophobicContact CZ3-CD1 4.38Å; W188-L245 HydrophobicContact CZ3-CD2 4.35Å; W188-L245 HydrophobicContact CZ3-CG 4.15Å; L189-L245 WeakPolarHBondContact O-CA 3.38Å; I190-L245 HydrophobicContact CG1-CD1 3.88Å; F233-L245 WeakPolarHBondContact CA-O 3.38Å; F234-L245 HydrophobicContact CB-CB 4.26Å; F234-L245 HydrophobicContact CD2-CB 4.29Å; F234-L245 HydrophobicContact CD2-CD2 3.93Å; F234-L245 HydrophobicContact CD2-CG 4.3Å; F234-L245 HydrophobicContact CE2-CD2 4.41Å; F234-L245 PolarHBondContact N-O 3.31Å; F234-L245 PolarHBondContact O-N 3.29Å |
| 246 | A | 97.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W188 L189 I226 F233 I244 | W188-A246 CarbonylContact C-O 3.59Å; W188-A246 WeakPolarHBondContact CA-O 3.39Å; L189-A246 HydrophobicContact CB-CB 4.5Å; L189-A246 PolarHBondContact N-O 2.94Å; L189-A246 PolarHBondContact O-N 3.19Å; I226-A246 HydrophobicContact CG2-CB 3.76Å; F233-A246 HydrophobicContact CD2-CB 3.79Å; F233-A246 HydrophobicContact CE2-CB 4.23Å; I244-A246 HydrophobicContact CG2-CB 4.26Å |
| 247 | S | 96.2 | Very high | 91.5 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 139.1 | 169.7 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | G187 T232 | G187-S247 CarbonylContact O-C 3.54Å; G187-S247 WeakPolarHBondContact O-CA 3.46Å; T232-S247 PolarHBondContact OG1-OG 2.79Å |
| 248 | I | 94.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 9% | 0.092 | 19% | 0.192 | C | C | . | . | trans | -93.2 | 128.9 | 173.2 | -53.2 | -53.6 | 0 | 0 | 0 | 108.8 | V180 I183 G186 G187 I226 | V180-I248 HydrophobicContact CG1-CD1 4.03Å; I183-I248 HydrophobicContact CB-CG1 4.01Å; I183-I248 HydrophobicContact CD1-CD1 4.11Å; I183-I248 HydrophobicContact CD1-CG1 3.71Å; I183-I248 HydrophobicContact CG1-CG1 4.46Å; I183-I248 HydrophobicContact CG2-CB 4.17Å; I183-I248 HydrophobicContact CG2-CG1 3.68Å; G186-I248 WeakPolarHBondContact CA-O 3.31Å; G186-I248 PolarHBondContact N-O 2.89Å; G187-I248 PolarHBondContact O-N 2.93Å; I226-I248 HydrophobicContact CG1-CD1 3.98Å | ||
| 249 | R | 85.3 | Confident | 92.3 | Very high | 193 Ų | 193 | 38.8 Ų | 38.8 | 73% | 0.728 | 18% | 0.176 | S | C | * | . | trans | -91.8 | 0 | 176.9 | -65.9 | -171.2 | -172 | 148.8 | 14.7 | 111 | D227 S230 | D227-R249 IonicContact OD2-CZ 3.72Å; D227-R249 VanDerWaalsContact OD2-CZ 3.25Å; D227-R249 IonicContact OD2-NH1 3.4Å; D227-R249 PolarHBondContact OD2-NH1 3.37Å; D227-R249 VanDerWaalsContact OD2-NH1 3.07Å; D227-R249 IonicContact OD2-NH2 2.8Å; D227-R249 PolarHBondContact OD2-NH2 3.35Å; S230-R249 PolarHBondContact OG-NH2 3.21Å |
Retrieved 249 of 249 residues in 88.6 ms
(Link to these results)