| 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 | 31.8 | Very low | 68.2 | Low | 233 Ų | 233 | 104.8 Ų | 104.8 | 100% | 1.148 | 51% | 0.512 | S | S | * | . | 0 | 121.6 | 0 | -81.7 | 173.2 | -91.1 | 0 | 0 | 106 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.45Š| |||
| 2 | N | 38.3 | Very low | 70.6 | Confident | 122 Ų | 122 | 96.3 Ų | 96.3 | 65% | 0.652 | 47% | 0.471 | S | S | * | . | trans | -68.8 | 118.5 | 178.6 | -131 | 1 | 0 | 0 | 0 | 106.4 | Q4 | N2-Q4 PolarHBondContact O-N 2.86Š| ||
| 3 | P | 44.3 | Very low | 72.6 | Confident | 36 Ų | 36 | 100.1 Ų | 100.1 | 23% | 0.234 | 48% | 0.478 | C | S | . | . | trans | -55.2 | 144.9 | 176.5 | 24 | -32.2 | 0 | 0 | 0 | 107.9 | M1 I5 | M1-P3 WeakPolarHBondContact O-CD 3.45Å; P3-I5 WeakPolarHBondContact O-CG1 3.38Å; P3-I5 PolarHBondContact O-N 2.95Å | ||
| 4 | Q | 50.5 | Low | 74.4 | Confident | 183 Ų | 183 | 95.6 Ų | 95.6 | 86% | 0.855 | 46% | 0.462 | S | S | * | . | trans | -61.4 | 85.5 | 179.5 | -76 | -177.3 | -9.3 | 0 | 0 | 109.8 | N2 R6 Q58 | N2-Q4 PolarHBondContact O-N 2.86Å; Q4-R6 PolarHBondContact O-N 3.32Å; Q4-Q58 PolarHBondContact O-OE1 3.24Å | ||
| 5 | I | 56.6 | Low | 75.9 | Confident | 41 Ų | 41 | 97.5 Ų | 97.5 | 21% | 0.21 | 47% | 0.469 | C | S | . | . | trans | -68.6 | 108.1 | 178 | -70.5 | 168.4 | 0 | 0 | 0 | 106.3 | P3 C70 S73 | P3-I5 WeakPolarHBondContact O-CG1 3.38Å; P3-I5 PolarHBondContact O-N 2.95Å; I5-C70 HydrophobicContact CG2-CB 3.95Å; I5-S73 WeakPolarHBondContact CD1-OG 3.38Å | ||
| 6 | R | 66.4 | Low | 77.2 | Confident | 178 Ų | 178 | 93.7 Ų | 93.7 | 67% | 0.672 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 140.1 | -178.2 | -56.6 | 179 | -178 | -164.4 | -0.8 | 110.8 | Q4 F55 | Q4-R6 PolarHBondContact O-N 3.32Å; R6-F55 WeakPolarHBondContact O-CE1 3.42Å |
| 7 | N | 84.3 | Confident | 78.4 | Confident | 119 Ų | 119 | 88.2 Ų | 88.2 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -47.8 | 150.8 | 165.6 | -77.3 | -48.9 | 0 | 0 | 0 | 111.8 | ||
| 8 | P | 92.4 | Very high | 79.4 | Confident | 31 Ų | 31 | 87.2 Ų | 87.2 | 20% | 0.201 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 141.5 | 178.1 | 26 | -34.3 | 0 | 0 | 0 | 111.4 | F37 F55 W74 | P8-F37 HydrophobicContact CB-CE1 3.79Å; P8-F37 HydrophobicContact CB-CZ 4.09Å; P8-F37 HydrophobicContact CG-CE1 4.36Å; P8-F37 HydrophobicContact CG-CZ 4.19Å; P8-F55 HydrophobicContact CB-CD2 4.37Å; P8-F55 HydrophobicContact CB-CE1 4.21Å; P8-F55 HydrophobicContact CB-CE2 3.83Å; P8-F55 HydrophobicContact CB-CZ 3.74Å; P8-F55 HydrophobicContact CG-CE2 4.46Å; P8-F55 HydrophobicContact CG-CZ 4.14Å; P8-W74 HydrophobicContact CG-CD2 4.48Å; P8-W74 HydrophobicContact CG-CZ2 3.93Å |
| 9 | M | 94.9 | Very high | 80.3 | Confident | 79 Ų | 79 | 87.6 Ų | 87.6 | 39% | 0.389 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 154.9 | 169 | -59.4 | 168.2 | 57.4 | 0 | 0 | 109.8 | W34 G53 V54 | M9-W34 HydrophobicContact CE-CH2 4.45Å; M9-W34 HydrophobicContact CE-CZ3 4.39Å; M9-W34 HydrophobicContact SD-CZ3 4.39Å; M9-G53 CarbonylContact O-C 3.56Å; M9-G53 VanDerWaalsContact O-CA 3.28Å; M9-G53 WeakPolarHBondContact O-CA 3.39Å; M9-V54 HydrophobicContact CB-CB 4.21Å; M9-V54 PolarHBondContact N-O 3.31Å; M9-V54 PolarHBondContact O-N 2.9Å |
| 10 | E | 94.8 | Very high | 81.1 | Confident | 124 Ų | 124 | 83.9 Ų | 83.9 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -72.5 | -48.8 | 175.6 | -174.5 | -179.3 | -175.5 | 0 | 0 | 111.8 | ||
| 11 | A | 96.1 | Very high | 81.9 | Confident | 7 Ų | 7 | 79.9 Ų | 79.9 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | trans | -156.7 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F160 Y162 | A11-F160 CarbonylContact C-O 3.55Å; A11-F160 WeakPolarHBondContact CA-O 3.49Å; A11-F160 VanDerWaalsContact CB-C 3.47Å; A11-F160 WeakPolarHBondContact CB-O 3.32Å; A11-Y162 HydrophobicContact CB-CD1 4.17Å; A11-Y162 HydrophobicContact CB-CD2 4.11Å; A11-Y162 HydrophobicContact CB-CE1 3.88Å; A11-Y162 HydrophobicContact CB-CE2 3.8Å; A11-Y162 HydrophobicContact CB-CG 4.28Å | ||
| 12 | M | 96.7 | Very high | 85 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 164.3 | 174.3 | 73.3 | -169.8 | 74.6 | 0 | 0 | 111.6 | I16 F17 F21 W34 C36 V54 F160 V161 Y162 | M12-I16 HydrophobicContact CB-CB 4.34Å; M12-I16 HydrophobicContact CB-CG2 4.14Å; M12-I16 HydrophobicContact CG-CB 4.41Å; M12-I16 HydrophobicContact CG-CG2 4.3Å; M12-I16 HydrophobicContact SD-CB 4.45Å; M12-I16 HydrophobicContact SD-CG2 3.89Å; M12-F17 HydrophobicContact CG-CB 4.15Å; M12-F17 HydrophobicContact SD-CB 3.83Å; M12-F17 HydrophobicContact SD-CD2 4.01Å; M12-F17 HydrophobicContact SD-CG 4.45Å; M12-F21 HydrophobicContact CE-CE2 3.8Å; M12-F21 HydrophobicContact CE-CZ 4.37Å; M12-F21 HydrophobicContact SD-CD2 4.32Å; M12-F21 HydrophobicContact SD-CE2 3.93Å; M12-W34 HydrophobicContact CB-CE3 4.39Å; M12-W34 HydrophobicContact CB-CH2 4.33Å; M12-W34 HydrophobicContact CB-CZ3 3.79Å; M12-W34 HydrophobicContact CE-CD2 4.47Å; M12-W34 HydrophobicContact CE-CE3 3.65Å; M12-W34 HydrophobicContact CE-CZ3 4.18Å; M12-W34 HydrophobicContact SD-CE3 4.03Å; M12-W34 HydrophobicContact SD-CZ3 4.36Å; M12-C36 WeakPolarHBondContact CE-SG 3.5Å; M12-V54 HydrophobicContact CE-CG1 3.74Å; M12-V54 HydrophobicContact CE-CG2 4.26Å; M12-F160 PolarHBondContact N-O 3.04Å; M12-V161 HydrophobicContact CG-CG2 4.29Å; M12-V161 VanDerWaalsContact O-CA 3.29Å; M12-V161 WeakPolarHBondContact O-CA 3.33Å; M12-Y162 PolarHBondContact O-N 2.87Å |
| 13 | Y | 97.3 | Very high | 87.8 | Confident | 145 Ų | 145 | 66.3 Ų | 66.3 | 57% | 0.569 | 31% | 0.309 | S | S | * | . | trans | -76.5 | 152.7 | 174.6 | -68.7 | -70.3 | 0 | 0 | 0 | 112.5 | H15 I16 F17 Y162 | Y13-H15 VanDerWaalsContact C-N 3.3Å; Y13-H15 PolarHBondContact O-N 3.22Å; Y13-I16 WeakPolarHBondContact O-CB 3.28Å; Y13-I16 PolarHBondContact O-N 3.37Å; Y13-F17 PolarHBondContact O-N 3.29Å; Y13-F17 VanDerWaalsContact O-N 3.15Å; Y13-Y162 HydrophobicContact CD1-CD2 4.07Å; Y13-Y162 HydrophobicContact CE1-CD2 4.02Å | ||
| 14 | P | 97.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 67 Ų | 67 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -48.8 | -44.7 | 179.4 | -35.6 | 39.6 | 0 | 0 | 0 | 115.2 | I16 F17 Y18 W157 V161 Y162 | P14-I16 VanDerWaalsContact C-N 3.31Å; P14-I16 PolarHBondContact O-N 2.89Å; P14-F17 PolarHBondContact O-N 3.33Å; P14-Y18 WeakPolarHBondContact O-CD2 3.19Å; P14-Y18 PolarHBondContact O-N 3.18Å; P14-W157 HydrophobicContact CB-CH2 3.82Å; P14-W157 HydrophobicContact CB-CZ3 4.27Å; P14-W157 HydrophobicContact CG-CH2 4.17Å; P14-V161 HydrophobicContact CB-CG1 4.32Å; P14-V161 HydrophobicContact CG-CG1 3.87Å; P14-Y162 WeakPolarHBondContact CD-O 3.34Å; P14-Y162 WeakPolarHBondContact CG-O 3.22Å |
| 15 | H | 96.2 | Very high | 91.8 | Very high | 123 Ų | 123 | 62.3 Ų | 62.3 | 57% | 0.569 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.4 | -34.9 | -177.7 | 67.9 | -88.2 | 0 | 0 | 0 | 112.2 | Y13 F19 | Y13-H15 VanDerWaalsContact C-N 3.3Å; Y13-H15 PolarHBondContact O-N 3.22Å; H15-F19 VanDerWaalsContact O-CB 3.27Å; H15-F19 WeakPolarHBondContact O-CB 3.5Å; H15-F19 PolarHBondContact O-N 3.49Å |
| 16 | I | 96.6 | Very high | 93.2 | Very high | 37 Ų | 37 | 68.5 Ų | 68.5 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 173.6 | -59.4 | -59.4 | 0 | 0 | 0 | 109.5 | M12 Y13 P14 Y18 F19 H20 W34 | M12-I16 HydrophobicContact CB-CB 4.34Å; M12-I16 HydrophobicContact CB-CG2 4.14Å; M12-I16 HydrophobicContact CG-CB 4.41Å; M12-I16 HydrophobicContact CG-CG2 4.3Å; M12-I16 HydrophobicContact SD-CB 4.45Å; M12-I16 HydrophobicContact SD-CG2 3.89Å; Y13-I16 WeakPolarHBondContact O-CB 3.28Å; Y13-I16 PolarHBondContact O-N 3.37Å; P14-I16 VanDerWaalsContact C-N 3.31Å; P14-I16 PolarHBondContact O-N 2.89Å; I16-Y18 PolarHBondContact O-N 2.99Å; I16-F19 PolarHBondContact O-N 3.18Å; I16-H20 WeakPolarHBondContact O-CB 3.3Å; I16-H20 PolarHBondContact O-CD2 3.38Å; I16-H20 VanDerWaalsContact O-CD2 3.3Å; I16-H20 PolarHBondContact O-N 3.42Å; I16-W34 HydrophobicContact CG2-CD2 4.06Å; I16-W34 HydrophobicContact CG2-CE3 4.28Å; I16-W34 HydrophobicContact CG2-CH2 3.61Å; I16-W34 HydrophobicContact CG2-CZ2 3.34Å; I16-W34 HydrophobicContact CG2-CZ3 4.08Å |
| 17 | F | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -51 | 178.7 | -175.9 | -96.7 | 0 | 0 | 0 | 111.7 | M12 Y13 P14 F19 H20 F21 F153 C156 W157 V161 F168 | M12-F17 HydrophobicContact CG-CB 4.15Å; M12-F17 HydrophobicContact SD-CB 3.83Å; M12-F17 HydrophobicContact SD-CD2 4.01Å; M12-F17 HydrophobicContact SD-CG 4.45Å; Y13-F17 PolarHBondContact O-N 3.29Å; Y13-F17 VanDerWaalsContact O-N 3.15Å; P14-F17 PolarHBondContact O-N 3.33Å; F17-F19 VanDerWaalsContact C-N 3.28Å; F17-F19 PolarHBondContact O-N 2.85Å; F17-H20 PolarHBondContact O-N 3.07Å; F17-F21 HydrophobicContact CD2-CB 4.11Å; F17-F21 AromaticContact CD2-CD2 3.52Å; F17-F21 HydrophobicContact CD2-CD2 3.52Å; F17-F21 HydrophobicContact CD2-CE2 4.06Å; F17-F21 AromaticContact CD2-CG 3.79Å; F17-F21 HydrophobicContact CD2-CG 3.79Å; F17-F21 HydrophobicContact CE1-CB 4.38Å; F17-F21 HydrophobicContact CE2-CB 3.89Å; F17-F21 AromaticContact CE2-CD1 3.97Å; F17-F21 HydrophobicContact CE2-CD1 3.97Å; F17-F21 AromaticContact CE2-CD2 3.81Å; F17-F21 HydrophobicContact CE2-CD2 3.81Å; F17-F21 HydrophobicContact CE2-CE1 4.47Å; F17-F21 HydrophobicContact CE2-CE2 4.34Å; F17-F21 AromaticContact CE2-CG 3.59Å; F17-F21 HydrophobicContact CE2-CG 3.59Å; F17-F21 HydrophobicContact CG-CB 4.45Å; F17-F21 HydrophobicContact CG-CD2 4.27Å; F17-F21 HydrophobicContact CZ-CB 4.06Å; F17-F21 HydrophobicContact CZ-CG 4.23Å; F17-F21 VanDerWaalsContact O-CB 3.31Å; F17-F21 WeakPolarHBondContact O-CB 3.42Å; F17-F21 PolarHBondContact O-N 2.99Å; F17-F153 HydrophobicContact CZ-CD1 4.05Å; F17-C156 HydrophobicContact CE2-CB 3.62Å; F17-C156 HydrophobicContact CZ-CB 3.89Å; F17-W157 AromaticContact CD1-CE3 3.57Å; F17-W157 HydrophobicContact CD1-CE3 3.57Å; F17-W157 AromaticContact CD1-CZ3 3.91Å; F17-W157 HydrophobicContact CD1-CZ3 3.91Å; F17-W157 AromaticContact CE1-CE3 3.89Å; F17-W157 HydrophobicContact CE1-CE3 3.89Å; F17-W157 HydrophobicContact CG-CE3 4.26Å; F17-V161 HydrophobicContact CB-CG2 3.71Å; F17-V161 HydrophobicContact CD1-CG2 4.29Å; F17-V161 HydrophobicContact CD2-CG2 3.65Å; F17-V161 HydrophobicContact CE2-CG2 4.33Å; F17-V161 HydrophobicContact CG-CG2 3.61Å; F17-F168 HydrophobicContact CE1-CD2 4.12Å; F17-F168 AromaticContact CE1-CE2 3.81Å; F17-F168 HydrophobicContact CE1-CE2 3.81Å |
| 18 | Y | 97.4 | Very high | 93.6 | Very high | 70 Ų | 70 | 59.7 Ų | 59.7 | 28% | 0.275 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -35 | 179 | -81 | -62.6 | 0 | 0 | 0 | 113.1 | P14 I16 K22 W157 F168 K169 W171 | P14-Y18 WeakPolarHBondContact O-CD2 3.19Å; P14-Y18 PolarHBondContact O-N 3.18Å; I16-Y18 PolarHBondContact O-N 2.99Å; Y18-K22 WeakPolarHBondContact O-CB 3.2Å; Y18-W157 HydrophobicContact CD2-CH2 4.29Å; Y18-W157 AromaticContact CD2-CZ3 3.99Å; Y18-W157 HydrophobicContact CD2-CZ3 3.99Å; Y18-W157 AromaticContact CE2-CH2 3.41Å; Y18-W157 HydrophobicContact CE2-CH2 3.41Å; Y18-W157 VanDerWaalsContact CE2-CH2 3.41Å; Y18-W157 AromaticContact CE2-CZ3 3.37Å; Y18-W157 HydrophobicContact CE2-CZ3 3.37Å; Y18-W157 AromaticContact CZ-CH2 3.86Å; Y18-W157 AromaticContact CZ-CZ3 3.67Å; Y18-F168 HydrophobicContact CD1-CE2 4.5Å; Y18-F168 HydrophobicContact CE1-CD2 4.12Å; Y18-F168 AromaticContact CE1-CE2 3.74Å; Y18-F168 HydrophobicContact CE1-CE2 3.74Å; Y18-K169 WeakPolarHBondContact CE1-O 3.46Å; Y18-K169 PolarHBondContact OH-N 3.45Å; Y18-K169 PolarHBondContact OH-O 2.99Å; Y18-W171 HydrophobicContact CD1-CE3 4.08Å; Y18-W171 HydrophobicContact CD1-CZ3 4.29Å; Y18-W171 HydrophobicContact CE1-CE3 4.4Å |
| 19 | F | 95.8 | Very high | 92.8 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.9 | -55.1 | 177.3 | -175.3 | -101.8 | 0 | 0 | 0 | 111.1 | H15 I16 F17 R30 | H15-F19 VanDerWaalsContact O-CB 3.27Å; H15-F19 WeakPolarHBondContact O-CB 3.5Å; H15-F19 PolarHBondContact O-N 3.49Å; I16-F19 PolarHBondContact O-N 3.18Å; F17-F19 VanDerWaalsContact C-N 3.28Å; F17-F19 PolarHBondContact O-N 2.85Å; F19-R30 HydrophobicContact CD1-CG 4.39Å; F19-R30 HydrophobicContact CE1-CG 3.84Å; F19-R30 HydrophobicContact CZ-CG 4.12Å; F19-R30 PolarHBondContact O-NE 3.08Å; F19-R30 PolarHBondContact O-NH2 3.08Å |
| 20 | H | 95.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.06 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -81.3 | -24.8 | -171.4 | -69.4 | -80.9 | 0 | 0 | 0 | 114.3 | I16 F17 E32 W34 S93 R122 | I16-H20 WeakPolarHBondContact O-CB 3.3Å; I16-H20 PolarHBondContact O-CD2 3.38Å; I16-H20 VanDerWaalsContact O-CD2 3.3Å; I16-H20 PolarHBondContact O-N 3.42Å; F17-H20 PolarHBondContact O-N 3.07Å; H20-E32 IonicContact CE1-OE2 2.82Å; H20-E32 IonicContact NE2-OE2 3.69Å; H20-W34 HydrophobicContact CB-CG 4.28Å; H20-W34 AromaticContact CD2-CD1 3.85Å; H20-W34 AromaticContact CD2-NE1 3.45Å; H20-W34 PolarHBondContact CD2-NE1 3.18Å; H20-W34 AromaticContact CE1-CD1 3.99Å; H20-W34 AromaticContact CE1-NE1 3.61Å; H20-W34 AromaticContact CG-CD1 3.43Å; H20-W34 VanDerWaalsContact CG-CD1 3.43Å; H20-W34 AromaticContact CG-NE1 3.53Å; H20-W34 AromaticContact ND1-CD1 3.53Å; H20-W34 AromaticContact ND1-NE1 3.62Å; H20-W34 AromaticContact NE2-NE1 3.54Å; H20-S93 VanDerWaalsContact O-CB 3.29Å; H20-S93 WeakPolarHBondContact O-CB 3.35Å; H20-R122 PolarHBondContact O-NH1 3.33Å; H20-R122 PolarHBondContact O-NH2 2.86Å |
| 21 | F | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -98.5 | -4.1 | -179.4 | -77.2 | -99 | 0 | 0 | 0 | 113.9 | M12 F17 N23 W34 A121 M148 F153 W171 | M12-F21 HydrophobicContact CE-CE2 3.8Å; M12-F21 HydrophobicContact CE-CZ 4.37Å; M12-F21 HydrophobicContact SD-CD2 4.32Å; M12-F21 HydrophobicContact SD-CE2 3.93Å; F17-F21 HydrophobicContact CD2-CB 4.11Å; F17-F21 AromaticContact CD2-CD2 3.52Å; F17-F21 HydrophobicContact CD2-CD2 3.52Å; F17-F21 HydrophobicContact CD2-CE2 4.06Å; F17-F21 AromaticContact CD2-CG 3.79Å; F17-F21 HydrophobicContact CD2-CG 3.79Å; F17-F21 HydrophobicContact CE1-CB 4.38Å; F17-F21 HydrophobicContact CE2-CB 3.89Å; F17-F21 AromaticContact CE2-CD1 3.97Å; F17-F21 HydrophobicContact CE2-CD1 3.97Å; F17-F21 AromaticContact CE2-CD2 3.81Å; F17-F21 HydrophobicContact CE2-CD2 3.81Å; F17-F21 HydrophobicContact CE2-CE1 4.47Å; F17-F21 HydrophobicContact CE2-CE2 4.34Å; F17-F21 AromaticContact CE2-CG 3.59Å; F17-F21 HydrophobicContact CE2-CG 3.59Å; F17-F21 HydrophobicContact CG-CB 4.45Å; F17-F21 HydrophobicContact CG-CD2 4.27Å; F17-F21 HydrophobicContact CZ-CB 4.06Å; F17-F21 HydrophobicContact CZ-CG 4.23Å; F17-F21 VanDerWaalsContact O-CB 3.31Å; F17-F21 WeakPolarHBondContact O-CB 3.42Å; F17-F21 PolarHBondContact O-N 2.99Å; F21-N23 PolarHBondContact O-N 3.2Å; F21-W34 HydrophobicContact CE2-CB 3.79Å; F21-W34 HydrophobicContact CZ-CB 4.09Å; F21-A121 HydrophobicContact CD1-CB 4.22Å; F21-M148 HydrophobicContact CD1-CE 4.16Å; F21-M148 HydrophobicContact CD1-SD 3.97Å; F21-M148 HydrophobicContact CE1-CE 4.47Å; F21-M148 HydrophobicContact CE1-SD 4.19Å; F21-F153 HydrophobicContact CB-CD1 4.42Å; F21-F153 HydrophobicContact CB-CE1 4.09Å; F21-F153 HydrophobicContact CD1-CE1 4.45Å; F21-F153 VanDerWaalsContact O-CE1 3.31Å; F21-F153 WeakPolarHBondContact O-CE1 3.35Å; F21-W171 WeakPolarHBondContact O-CH2 3.22Å |
| 22 | K | 97.4 | Very high | 91.1 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | trans | -57.7 | 116 | 175.7 | -162.6 | 173.3 | -172.2 | 175 | 0 | 111.1 | Y18 L24 R122 W171 | Y18-K22 WeakPolarHBondContact O-CB 3.2Å; K22-L24 HydrophobicContact CB-CG 4.49Å; K22-L24 HydrophobicContact CD-CD1 4.32Å; K22-L24 HydrophobicContact CD-CD2 4.03Å; K22-L24 HydrophobicContact CD-CG 4.12Å; K22-L24 HydrophobicContact CG-CD2 4.07Å; K22-L24 HydrophobicContact CG-CG 3.97Å; K22-L24 PolarHBondContact O-N 3.12Å; K22-R122 WeakPolarHBondContact O-CD 3.48Å; K22-R122 PolarHBondContact O-NH1 2.99Å; K22-W171 HydrophobicContact CB-CD2 4.41Å; K22-W171 HydrophobicContact CD-CG 4.33Å; K22-W171 HydrophobicContact CG-CD2 3.77Å; K22-W171 HydrophobicContact CG-CE3 4.35Å; K22-W171 HydrophobicContact CG-CG 3.86Å; K22-W171 HydrophobicContact CG-CZ2 4.42Å | ||
| 23 | N | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -78.2 | 50.9 | -172.8 | 68.5 | -12 | 0 | 0 | 0 | 113.7 | F21 A121 F153 W171 L174 N177 L181 | F21-N23 PolarHBondContact O-N 3.2Å; N23-A121 WeakPolarHBondContact CB-O 3.33Å; N23-F153 HydrophobicContact CB-CZ 4.08Å; N23-W171 HydrophobicContact CB-CZ2 4.31Å; N23-W171 PolarHBondContact OD1-NE1 3.18Å; N23-L174 PolarHBondContact ND2-O 2.99Å; N23-N177 WeakPolarHBondContact O-CB 3.34Å; N23-N177 PolarHBondContact O-ND2 3.23Å; N23-L181 HydrophobicContact CB-CD1 4.13Å | ||
| 24 | L | 93.1 | Very high | 90.6 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | trans | -67.8 | 143.3 | 176.2 | -58.1 | 176.8 | 0 | 0 | 0 | 110.7 | K22 K26 A27 R122 | K22-L24 HydrophobicContact CB-CG 4.49Å; K22-L24 HydrophobicContact CD-CD1 4.32Å; K22-L24 HydrophobicContact CD-CD2 4.03Å; K22-L24 HydrophobicContact CD-CG 4.12Å; K22-L24 HydrophobicContact CG-CD2 4.07Å; K22-L24 HydrophobicContact CG-CG 3.97Å; K22-L24 PolarHBondContact O-N 3.12Å; L24-K26 VanDerWaalsContact C-N 3.3Å; L24-K26 WeakPolarHBondContact CB-O 3.32Å; L24-A27 HydrophobicContact CB-CB 4.22Å; L24-R122 WeakPolarHBondContact O-CD 3.4Å | ||
| 25 | L | 87.1 | Confident | 90.6 | Very high | 83 Ų | 83 | 54 Ų | 54 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -67 | -33.8 | 173.4 | -59.3 | 176.3 | 0 | 0 | 0 | 112.3 | L180 L181 | L25-L180 HydrophobicContact CD1-CD1 3.74Å; L25-L180 HydrophobicContact CD2-CB 4.05Å; L25-L180 HydrophobicContact CD2-CD1 4.44Å; L25-L181 HydrophobicContact CD2-CD2 4.06Å; L25-L181 HydrophobicContact CD2-CG 3.94Å |
| 26 | K | 84.4 | Confident | 90.7 | Very high | 172 Ų | 172 | 48.2 Ų | 48.2 | 75% | 0.748 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -125.7 | 117.9 | 173.1 | -171.3 | 173.7 | -176.5 | 175.5 | 0 | 108 | L24 | L24-K26 VanDerWaalsContact C-N 3.3Å; L24-K26 WeakPolarHBondContact CB-O 3.32Å |
| 27 | A | 83.1 | Confident | 90.8 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 12% | 0.116 | 25% | 0.245 | C | C | . | . | trans | -128.2 | 81.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L24 W94 | L24-A27 HydrophobicContact CB-CB 4.22Å; A27-W94 HydrophobicContact CB-CH2 3.52Å; A27-W94 HydrophobicContact CB-CZ2 3.64Å | ||
| 28 | C | 75.7 | Confident | 90.8 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 66% | 0.655 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 149.6 | 173.8 | -54 | 0 | 0 | 0 | 0 | 111.2 | R30 | C28-R30 VanDerWaalsContact C-N 3.29Å; C28-R30 PolarHBondContact O-N 3.15Å |
| 29 | G | 77.3 | Confident | 90.6 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 56% | 0.557 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 6.7 | 174 | 0 | 0 | 0 | 0 | 0 | 115.7 | N31 | G29-N31 PolarHBondContact O-N 2.89Š|
| 30 | R | 83.3 | Confident | 90.5 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | trans | -97.5 | 73.2 | 174.5 | -68.1 | -178.2 | -176.6 | 62.5 | 9.6 | 110.1 | F19 C28 E32 W94 | F19-R30 HydrophobicContact CD1-CG 4.39Å; F19-R30 HydrophobicContact CE1-CG 3.84Å; F19-R30 HydrophobicContact CZ-CG 4.12Å; F19-R30 PolarHBondContact O-NE 3.08Å; F19-R30 PolarHBondContact O-NH2 3.08Å; C28-R30 VanDerWaalsContact C-N 3.29Å; C28-R30 PolarHBondContact O-N 3.15Å; R30-E32 PolarHBondContact O-N 3.27Å; R30-W94 HydrophobicContact CB-CZ2 4.15Å; R30-W94 PolarHBondContact O-NE1 3.3Å | ||
| 31 | N | 81.3 | Confident | 90.2 | Very high | 143 Ų | 143 | 44.3 Ų | 44.3 | 77% | 0.765 | 24% | 0.242 | S | C | * | . | trans | -82.9 | 8.3 | -175 | -56 | -10.5 | 0 | 0 | 0 | 113.1 | G29 N57 | G29-N31 PolarHBondContact O-N 2.89Å; N31-N57 PolarHBondContact O-ND2 2.97Å | ||
| 32 | E | 85.8 | Confident | 89.7 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | trans | -119.2 | 131.3 | 178.2 | -58.7 | -171.2 | 167.8 | 0 | 0 | 111.8 | H20 R30 W34 R56 N57 | H20-E32 IonicContact CE1-OE2 2.82Å; H20-E32 IonicContact NE2-OE2 3.69Å; R30-E32 PolarHBondContact O-N 3.27Å; E32-W34 PolarHBondContact OE2-NE1 3.5Å; E32-R56 IonicContact OE1-NH1 3.71Å; E32-R56 PolarHBondContact OE1-NH1 2.87Å; E32-R56 IonicContact OE2-NH1 2.75Å; E32-N57 WeakPolarHBondContact CA-OD1 3.47Å; E32-N57 VanDerWaalsContact CB-OD1 3.22Å; E32-N57 WeakPolarHBondContact CB-OD1 3.1Å; E32-N57 WeakPolarHBondContact CG-OD1 3.31Å | ||
| 33 | S | 87.9 | Confident | 88.9 | Confident | 19 Ų | 19 | 48 Ų | 48 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | trans | -88.3 | 127.7 | 167.1 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | R56 N57 | S33-R56 CarbonylContact O-C 3.49Å; S33-R56 VanDerWaalsContact O-CA 3.28Å; S33-R56 WeakPolarHBondContact O-CA 3.41Å; S33-N57 PolarHBondContact O-N 3.46Å | ||
| 34 | W | 95.3 | Very high | 87.5 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.5 | 175.1 | -74.2 | 73.7 | 0 | 0 | 0 | 108.2 | M9 M12 I16 H20 F21 E32 V54 R56 T92 S93 | M9-W34 HydrophobicContact CE-CH2 4.45Å; M9-W34 HydrophobicContact CE-CZ3 4.39Å; M9-W34 HydrophobicContact SD-CZ3 4.39Å; M12-W34 HydrophobicContact CB-CE3 4.39Å; M12-W34 HydrophobicContact CB-CH2 4.33Å; M12-W34 HydrophobicContact CB-CZ3 3.79Å; M12-W34 HydrophobicContact CE-CD2 4.47Å; M12-W34 HydrophobicContact CE-CE3 3.65Å; M12-W34 HydrophobicContact CE-CZ3 4.18Å; M12-W34 HydrophobicContact SD-CE3 4.03Å; M12-W34 HydrophobicContact SD-CZ3 4.36Å; I16-W34 HydrophobicContact CG2-CD2 4.06Å; I16-W34 HydrophobicContact CG2-CE3 4.28Å; I16-W34 HydrophobicContact CG2-CH2 3.61Å; I16-W34 HydrophobicContact CG2-CZ2 3.34Å; I16-W34 HydrophobicContact CG2-CZ3 4.08Å; H20-W34 HydrophobicContact CB-CG 4.28Å; H20-W34 AromaticContact CD2-CD1 3.85Å; H20-W34 AromaticContact CD2-NE1 3.45Å; H20-W34 PolarHBondContact CD2-NE1 3.18Å; H20-W34 AromaticContact CE1-CD1 3.99Å; H20-W34 AromaticContact CE1-NE1 3.61Å; H20-W34 AromaticContact CG-CD1 3.43Å; H20-W34 VanDerWaalsContact CG-CD1 3.43Å; H20-W34 AromaticContact CG-NE1 3.53Å; H20-W34 AromaticContact ND1-CD1 3.53Å; H20-W34 AromaticContact ND1-NE1 3.62Å; H20-W34 AromaticContact NE2-NE1 3.54Å; F21-W34 HydrophobicContact CE2-CB 3.79Å; F21-W34 HydrophobicContact CZ-CB 4.09Å; E32-W34 PolarHBondContact OE2-NE1 3.5Å; W34-V54 HydrophobicContact CE3-CG1 3.6Å; W34-V54 HydrophobicContact CZ3-CG1 3.82Å; W34-R56 HydrophobicContact CD2-CB 3.89Å; W34-R56 HydrophobicContact CE3-CB 4.02Å; W34-R56 HydrophobicContact CG-CB 4.38Å; W34-R56 HydrophobicContact CH2-CB 4.26Å; W34-R56 HydrophobicContact CZ2-CB 4.11Å; W34-R56 HydrophobicContact CZ3-CB 4.21Å; W34-T92 CarbonylContact O-C 3.57Å; W34-T92 VanDerWaalsContact O-CA 3.32Å; W34-T92 WeakPolarHBondContact O-CA 3.38Å; W34-S93 PolarHBondContact N-OG 3.19Å; W34-S93 PolarHBondContact O-N 3.43Å |
| 35 | L | 97.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 107.6 | -177.9 | -176.7 | 165.5 | 0 | 0 | 0 | 107.8 | F37 V54 F55 A67 E68 F71 W90 T92 | L35-F37 HydrophobicContact CD2-CB 4Å; L35-F37 HydrophobicContact CD2-CD1 4.24Å; L35-V54 CarbonylContact O-C 3.56Å; L35-V54 WeakPolarHBondContact O-CA 3.39Å; L35-F55 HydrophobicContact CB-CB 4.41Å; L35-F55 HydrophobicContact CD2-CD2 4.5Å; L35-F55 PolarHBondContact N-O 3.45Å; L35-F55 PolarHBondContact O-N 2.82Å; L35-A67 HydrophobicContact CB-CB 3.77Å; L35-A67 HydrophobicContact CD1-CB 4.45Å; L35-E68 HydrophobicContact CD1-CG 4.24Å; L35-F71 HydrophobicContact CD1-CB 4.29Å; L35-F71 HydrophobicContact CD2-CD2 4.19Å; L35-W90 HydrophobicContact CD1-CD2 3.77Å; L35-W90 HydrophobicContact CD1-CE3 3.79Å; L35-W90 HydrophobicContact CD1-CG 4.26Å; L35-W90 HydrophobicContact CD1-CH2 4.36Å; L35-W90 HydrophobicContact CD1-CZ2 4.38Å; L35-W90 HydrophobicContact CD1-CZ3 4.08Å; L35-W90 HydrophobicContact CD2-CD2 4.32Å; L35-W90 HydrophobicContact CD2-CG 4.04Å; L35-W90 HydrophobicContact CG-CB 4.46Å; L35-W90 HydrophobicContact CG-CD2 4.22Å; L35-W90 HydrophobicContact CG-CG 4.19Å; L35-T92 HydrophobicContact CB-CG2 4.34Å; L35-T92 HydrophobicContact CD1-CG2 4.3Å; L35-T92 HydrophobicContact CG-CG2 4Å |
| 36 | C | 98.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.4 | 166.5 | -49 | 0 | 0 | 0 | 0 | 108.8 | M12 G53 V54 W90 Y91 F160 | M12-C36 WeakPolarHBondContact CE-SG 3.5Å; C36-G53 CarbonylContact C-O 3.51Å; C36-G53 WeakPolarHBondContact CA-O 3.2Å; C36-V54 HydrophobicContact CB-CG2 4.35Å; C36-W90 CarbonylContact O-C 3.52Å; C36-W90 WeakPolarHBondContact O-CA 3.3Å; C36-Y91 PolarHBondContact N-O 2.92Å; C36-Y91 PolarHBondContact O-N 2.96Å; C36-F160 HydrophobicContact CB-CB 4.19Å; C36-F160 HydrophobicContact CB-CD1 3.82Å; C36-F160 HydrophobicContact CB-CD2 3.37Å; C36-F160 HydrophobicContact CB-CE1 3.92Å; C36-F160 HydrophobicContact CB-CE2 3.55Å; C36-F160 HydrophobicContact CB-CG 3.53Å; C36-F160 HydrophobicContact CB-CZ 3.8Å |
| 37 | F | 98 | Very high | 84.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.6 | 176.4 | 70.8 | -88.5 | 0 | 0 | 0 | 112.3 | P8 L35 M39 R52 G53 F55 F71 W74 T89 F160 | P8-F37 HydrophobicContact CB-CE1 3.79Å; P8-F37 HydrophobicContact CB-CZ 4.09Å; P8-F37 HydrophobicContact CG-CE1 4.36Å; P8-F37 HydrophobicContact CG-CZ 4.19Å; L35-F37 HydrophobicContact CD2-CB 4Å; L35-F37 HydrophobicContact CD2-CD1 4.24Å; F37-M39 HydrophobicContact CD2-CB 4.45Å; F37-R52 WeakPolarHBondContact O-CA 3.36Å; F37-R52 WeakPolarHBondContact O-CB 3.5Å; F37-G53 VanDerWaalsContact CD1-O 3.3Å; F37-G53 WeakPolarHBondContact CD1-O 3.36Å; F37-G53 VanDerWaalsContact CE1-C 3.49Å; F37-G53 PolarHBondContact N-O 2.97Å; F37-G53 PolarHBondContact O-N 2.85Å; F37-G53 VanDerWaalsContact O-N 3.11Å; F37-F55 AromaticContact CD1-CD2 3.96Å; F37-F55 HydrophobicContact CD1-CD2 3.96Å; F37-F55 HydrophobicContact CD1-CE2 4.03Å; F37-F55 AromaticContact CE1-CD2 3.79Å; F37-F55 HydrophobicContact CE1-CD2 3.79Å; F37-F55 AromaticContact CE1-CE2 3.49Å; F37-F55 HydrophobicContact CE1-CE2 3.49Å; F37-F55 VanDerWaalsContact CE1-CE2 3.49Å; F37-F55 HydrophobicContact CZ-CE2 4.32Å; F37-F71 HydrophobicContact CB-CD2 4.24Å; F37-F71 HydrophobicContact CB-CE2 3.84Å; F37-F71 AromaticContact CD1-CD2 3.77Å; F37-F71 HydrophobicContact CD1-CD2 3.77Å; F37-F71 AromaticContact CD1-CE2 3.84Å; F37-F71 HydrophobicContact CD1-CE2 3.84Å; F37-F71 HydrophobicContact CD2-CD2 4.49Å; F37-F71 AromaticContact CD2-CE2 3.74Å; F37-F71 HydrophobicContact CD2-CE2 3.74Å; F37-F71 HydrophobicContact CE1-CD2 4.23Å; F37-F71 HydrophobicContact CE1-CE2 4.32Å; F37-F71 HydrophobicContact CE2-CE2 4.24Å; F37-F71 AromaticContact CG-CD2 3.91Å; F37-F71 HydrophobicContact CG-CD2 3.91Å; F37-F71 AromaticContact CG-CE2 3.52Å; F37-F71 HydrophobicContact CG-CE2 3.52Å; F37-W74 HydrophobicContact CE1-CH2 4.37Å; F37-W74 HydrophobicContact CE1-CZ3 4.21Å; F37-W74 AromaticContact CE2-CH2 3.57Å; F37-W74 HydrophobicContact CE2-CH2 3.57Å; F37-W74 AromaticContact CE2-CZ3 3.77Å; F37-W74 HydrophobicContact CE2-CZ3 3.77Å; F37-W74 HydrophobicContact CZ-CE3 4.43Å; F37-W74 AromaticContact CZ-CH2 3.36Å; F37-W74 HydrophobicContact CZ-CH2 3.36Å; F37-W74 HydrophobicContact CZ-CZ2 4.14Å; F37-W74 AromaticContact CZ-CZ3 3.55Å; F37-W74 HydrophobicContact CZ-CZ3 3.55Å; F37-T89 CarbonylContact C-O 3.54Å; F37-T89 WeakPolarHBondContact CA-O 3.43Å; F37-F160 VanDerWaalsContact O-CE1 3.23Å; F37-F160 WeakPolarHBondContact O-CE1 3.4Å; F37-F160 VanDerWaalsContact O-CZ 3.28Å; F37-F160 WeakPolarHBondContact O-CZ 3.4Å |
| 38 | T | 97.3 | Very high | 84 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 23% | 0.233 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.4 | 157.7 | 56.6 | 0 | 0 | 0 | 0 | 108.7 | K51 R52 T89 F160 | T38-K51 CarbonylContact C-O 3.59Å; T38-K51 WeakPolarHBondContact CA-O 3.23Å; T38-R52 HydrophobicContact CG2-CB 4.29Å; T38-T89 PolarHBondContact N-O 2.88Å; T38-T89 PolarHBondContact O-N 3.31Å; T38-T89 WeakPolarHBondContact OG1-CB 3.44Å; T38-F160 HydrophobicContact CG2-CE2 4.44Å; T38-F160 HydrophobicContact CG2-CZ 3.68Å |
| 39 | M | 94.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 124.4 | 179 | 178.2 | -177.9 | 61.7 | 0 | 0 | 108.9 | F37 V41 R50 K51 F75 I79 Y86 E87 V88 | F37-M39 HydrophobicContact CD2-CB 4.45Å; M39-V41 HydrophobicContact CE-CG2 3.64Å; M39-V41 HydrophobicContact CG-CG2 3.74Å; M39-V41 HydrophobicContact SD-CG2 3.83Å; M39-R50 WeakPolarHBondContact O-CA 3.49Å; M39-K51 HydrophobicContact CB-CB 4.47Å; M39-K51 HydrophobicContact CE-CB 3.5Å; M39-K51 VanDerWaalsContact CE-CB 3.5Å; M39-K51 HydrophobicContact CE-CD 4.04Å; M39-K51 HydrophobicContact CE-CG 4.33Å; M39-K51 PolarHBondContact N-O 3.33Å; M39-K51 PolarHBondContact O-N 3.36Å; M39-F75 HydrophobicContact SD-CD2 4.04Å; M39-F75 HydrophobicContact SD-CE2 3.43Å; M39-F75 WeakPolarHBondContact SD-CE2 3.35Å; M39-F75 HydrophobicContact SD-CZ 4.38Å; M39-I79 HydrophobicContact CE-CG2 3.6Å; M39-I79 HydrophobicContact SD-CG2 3.84Å; M39-Y86 HydrophobicContact CG-CD1 4.34Å; M39-Y86 HydrophobicContact SD-CD1 3.76Å; M39-Y86 HydrophobicContact SD-CE1 4.29Å; M39-E87 WeakPolarHBondContact CA-O 3.4Å; M39-V88 HydrophobicContact CG-CG2 4.12Å |
| 40 | E | 93.3 | Very high | 85.1 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.9 | 167 | -52.1 | -162.1 | 139.9 | 0 | 0 | 108.8 | V48 F49 R50 E87 | E40-V48 HydrophobicContact CB-CG1 4.46Å; E40-F49 WeakPolarHBondContact CA-O 3.36Å; E40-R50 HydrophobicContact CG-CG 4.26Å; E40-R50 IonicContact OE1-CZ 3.28Å; E40-R50 IonicContact OE1-NE 3.75Å; E40-R50 PolarHBondContact OE1-NE 3.47Å; E40-R50 IonicContact OE1-NH2 3.9Å; E40-R50 PolarHBondContact OE1-NH2 3.44Å; E40-E87 HydrophobicContact CB-CB 4.29Å; E40-E87 PolarHBondContact N-O 3.29Å; E40-E87 PolarHBondContact O-N 2.9Å |
| 41 | V | 89.9 | Confident | 85.5 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.4 | -173.5 | -174.6 | 0 | 0 | 0 | 0 | 108 | M39 V48 F49 T84 Y86 | M39-V41 HydrophobicContact CE-CG2 3.64Å; M39-V41 HydrophobicContact CG-CG2 3.74Å; M39-V41 HydrophobicContact SD-CG2 3.83Å; V41-V48 VanDerWaalsContact O-CA 3.3Å; V41-V48 WeakPolarHBondContact O-CA 3.36Å; V41-F49 HydrophobicContact CB-CB 4.3Å; V41-F49 HydrophobicContact CB-CD1 4.24Å; V41-F49 HydrophobicContact CG2-CD1 3.93Å; V41-F49 PolarHBondContact N-O 2.96Å; V41-F49 PolarHBondContact O-N 3.49Å; V41-T84 HydrophobicContact CG1-CG2 3.16Å; V41-Y86 HydrophobicContact CB-CD1 4.45Å; V41-Y86 HydrophobicContact CG1-CD1 4.09Å; V41-Y86 HydrophobicContact CG1-CE1 3.77Å; V41-Y86 HydrophobicContact CG2-CD1 3.85Å; V41-Y86 HydrophobicContact CG2-CE1 4Å |
| 42 | T | 86.8 | Confident | 86.2 | Confident | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 114.7 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | N85 | T42-N85 PolarHBondContact N-O 3.23Å; T42-N85 PolarHBondContact O-N 3.31Å |
| 43 | K | 79.4 | Confident | 86.8 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.5 | 177.7 | -164.4 | 177.7 | -177.1 | 175.2 | 0 | 110.8 | H45 S46 A47 | K43-H45 PolarHBondContact O-N 3.5Å; K43-S46 PolarHBondContact O-N 3.21Å; K43-S46 VanDerWaalsContact O-N 3.12Å; K43-A47 PolarHBondContact N-O 2.75Å; K43-A47 VanDerWaalsContact N-O 3.12Å; K43-A47 PolarHBondContact O-N 3.31Å |
| 44 | H | 68.8 | Low | 87.2 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 56% | 0.56 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 42 | 178.6 | -56.3 | -64 | 0 | 0 | 0 | 113.8 | S46 | H44-S46 PolarHBondContact O-N 2.97Å; H44-S46 PolarHBondContact O-OG 3.31Å; H44-S46 VanDerWaalsContact O-OG 3.14Å |
| 45 | H | 64.9 | Low | 87.2 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 77% | 0.769 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 15.1 | 178.2 | -52.8 | -73.7 | 0 | 0 | 0 | 116.8 | K43 | K43-H45 PolarHBondContact O-N 3.5Š|
| 46 | S | 65.6 | Low | 86.9 | Confident | 109 Ų | 109 | 66.2 Ų | 66.2 | 76% | 0.762 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.6 | -35.9 | -170.5 | -53.6 | 0 | 0 | 0 | 0 | 116.2 | K43 H44 | K43-S46 PolarHBondContact O-N 3.21Å; K43-S46 VanDerWaalsContact O-N 3.12Å; H44-S46 PolarHBondContact O-N 2.97Å; H44-S46 PolarHBondContact O-OG 3.31Å; H44-S46 VanDerWaalsContact O-OG 3.14Å |
| 47 | A | 66.1 | Low | 86.3 | Confident | 62 Ų | 62 | 67 Ų | 67 | 51% | 0.512 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K43 | K43-A47 PolarHBondContact N-O 2.75Å; K43-A47 VanDerWaalsContact N-O 3.12Å; K43-A47 PolarHBondContact O-N 3.31Å |
| 48 | V | 76.8 | Confident | 85 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.1 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | E40 V41 | E40-V48 HydrophobicContact CB-CG1 4.46Å; V41-V48 VanDerWaalsContact O-CA 3.3Å; V41-V48 WeakPolarHBondContact O-CA 3.36Å |
| 49 | F | 84 | Confident | 83.1 | Confident | 116 Ų | 116 | 71 Ų | 71 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 141.2 | 170.1 | 166.3 | -102.8 | 0 | 0 | 0 | 109.9 | E40 V41 K51 | E40-F49 WeakPolarHBondContact CA-O 3.36Å; V41-F49 HydrophobicContact CB-CB 4.3Å; V41-F49 HydrophobicContact CB-CD1 4.24Å; V41-F49 HydrophobicContact CG2-CD1 3.93Å; V41-F49 PolarHBondContact N-O 2.96Å; V41-F49 PolarHBondContact O-N 3.49Å; F49-K51 HydrophobicContact CE1-CB 3.61Å; F49-K51 HydrophobicContact CE1-CD 3.93Å; F49-K51 HydrophobicContact CE1-CG 4.07Å; F49-K51 HydrophobicContact CZ-CB 3.93Å; F49-K51 HydrophobicContact CZ-CD 4.06Å; F49-K51 HydrophobicContact CZ-CG 4.04Å |
| 50 | R | 91.1 | Very high | 81.1 | Confident | 178 Ų | 178 | 73.7 Ų | 73.7 | 67% | 0.672 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.7 | 176.1 | -68.2 | -174.6 | 172.1 | 122.8 | 2.9 | 110.2 | M39 E40 | M39-R50 WeakPolarHBondContact O-CA 3.49Å; E40-R50 HydrophobicContact CG-CG 4.26Å; E40-R50 IonicContact OE1-CZ 3.28Å; E40-R50 IonicContact OE1-NE 3.75Å; E40-R50 PolarHBondContact OE1-NE 3.47Å; E40-R50 IonicContact OE1-NH2 3.9Å; E40-R50 PolarHBondContact OE1-NH2 3.44Å |
| 51 | K | 93.4 | Very high | 78.6 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 30% | 0.3 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.3 | 169 | -150 | 162 | -175.7 | 172.6 | 0 | 110 | T38 M39 F49 W74 I79 | T38-K51 CarbonylContact C-O 3.59Å; T38-K51 WeakPolarHBondContact CA-O 3.23Å; M39-K51 HydrophobicContact CB-CB 4.47Å; M39-K51 HydrophobicContact CE-CB 3.5Å; M39-K51 VanDerWaalsContact CE-CB 3.5Å; M39-K51 HydrophobicContact CE-CD 4.04Å; M39-K51 HydrophobicContact CE-CG 4.33Å; M39-K51 PolarHBondContact N-O 3.33Å; M39-K51 PolarHBondContact O-N 3.36Å; F49-K51 HydrophobicContact CE1-CB 3.61Å; F49-K51 HydrophobicContact CE1-CD 3.93Å; F49-K51 HydrophobicContact CE1-CG 4.07Å; F49-K51 HydrophobicContact CZ-CB 3.93Å; F49-K51 HydrophobicContact CZ-CD 4.06Å; F49-K51 HydrophobicContact CZ-CG 4.04Å; K51-W74 HydrophobicContact CD-CH2 3.9Å; K51-W74 HydrophobicContact CD-CZ2 3.86Å; K51-I79 HydrophobicContact CD-CD1 4.13Å; K51-I79 VanDerWaalsContact NZ-CD1 3.26Å |
| 52 | R | 96 | Very high | 76.5 | Confident | 109 Ų | 109 | 83.7 Ų | 83.7 | 41% | 0.411 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 158.6 | 172.4 | 74.2 | 177 | -176.6 | 170.6 | 8.3 | 109.5 | F37 T38 N159 F160 | F37-R52 WeakPolarHBondContact O-CA 3.36Å; F37-R52 WeakPolarHBondContact O-CB 3.5Å; T38-R52 HydrophobicContact CG2-CB 4.29Å; R52-N159 VanDerWaalsContact NH1-CA 3.34Å; R52-N159 PolarHBondContact NH1-O 3.13Å; R52-N159 PolarHBondContact NH1-OD1 3.3Å; R52-F160 HydrophobicContact CB-CE1 3.87Å; R52-F160 HydrophobicContact CB-CZ 4.44Å; R52-F160 HydrophobicContact CG-CE1 4.38Å |
| 53 | G | 96.9 | Very high | 74.9 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -176.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M9 C36 F37 | M9-G53 CarbonylContact O-C 3.56Å; M9-G53 VanDerWaalsContact O-CA 3.28Å; M9-G53 WeakPolarHBondContact O-CA 3.39Å; C36-G53 CarbonylContact C-O 3.51Å; C36-G53 WeakPolarHBondContact CA-O 3.2Å; F37-G53 VanDerWaalsContact CD1-O 3.3Å; F37-G53 WeakPolarHBondContact CD1-O 3.36Å; F37-G53 VanDerWaalsContact CE1-C 3.49Å; F37-G53 PolarHBondContact N-O 2.97Å; F37-G53 PolarHBondContact O-N 2.85Å; F37-G53 VanDerWaalsContact O-N 3.11Å |
| 54 | V | 97.1 | Very high | 74.3 | Confident | 1 Ų | 1 | 86.1 Ų | 86.1 | 1% | 0.006 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.4 | -176.8 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | M9 M12 W34 L35 C36 F160 | M9-V54 HydrophobicContact CB-CB 4.21Å; M9-V54 PolarHBondContact N-O 3.31Å; M9-V54 PolarHBondContact O-N 2.9Å; M12-V54 HydrophobicContact CE-CG1 3.74Å; M12-V54 HydrophobicContact CE-CG2 4.26Å; W34-V54 HydrophobicContact CE3-CG1 3.6Å; W34-V54 HydrophobicContact CZ3-CG1 3.82Å; L35-V54 CarbonylContact O-C 3.56Å; L35-V54 WeakPolarHBondContact O-CA 3.39Å; C36-V54 HydrophobicContact CB-CG2 4.35Å; V54-F160 HydrophobicContact CG2-CB 3.9Å; V54-F160 HydrophobicContact CG2-CD1 3.83Å; V54-F160 HydrophobicContact CG2-CG 4.19Å |
| 55 | F | 95.1 | Very high | 74.7 | Confident | 4 Ų | 4 | 80.8 Ų | 80.8 | 2% | 0.018 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.3 | 164.4 | -71.8 | -79.2 | 0 | 0 | 0 | 109.8 | R6 P8 L35 F37 A67 C70 F71 W74 | R6-F55 WeakPolarHBondContact O-CE1 3.42Å; P8-F55 HydrophobicContact CB-CD2 4.37Å; P8-F55 HydrophobicContact CB-CE1 4.21Å; P8-F55 HydrophobicContact CB-CE2 3.83Å; P8-F55 HydrophobicContact CB-CZ 3.74Å; P8-F55 HydrophobicContact CG-CE2 4.46Å; P8-F55 HydrophobicContact CG-CZ 4.14Å; L35-F55 HydrophobicContact CB-CB 4.41Å; L35-F55 HydrophobicContact CD2-CD2 4.5Å; L35-F55 PolarHBondContact N-O 3.45Å; L35-F55 PolarHBondContact O-N 2.82Å; F37-F55 AromaticContact CD1-CD2 3.96Å; F37-F55 HydrophobicContact CD1-CD2 3.96Å; F37-F55 HydrophobicContact CD1-CE2 4.03Å; F37-F55 AromaticContact CE1-CD2 3.79Å; F37-F55 HydrophobicContact CE1-CD2 3.79Å; F37-F55 AromaticContact CE1-CE2 3.49Å; F37-F55 HydrophobicContact CE1-CE2 3.49Å; F37-F55 VanDerWaalsContact CE1-CE2 3.49Å; F37-F55 HydrophobicContact CZ-CE2 4.32Å; F55-A67 HydrophobicContact CB-CB 4.12Å; F55-C70 HydrophobicContact CD1-CB 3.67Å; F55-C70 HydrophobicContact CE1-CB 4.12Å; F55-C70 HydrophobicContact CG-CB 4.27Å; F55-F71 HydrophobicContact CD2-CB 3.9Å; F55-F71 HydrophobicContact CD2-CD2 4.01Å; F55-F71 HydrophobicContact CD2-CG 4.46Å; F55-F71 HydrophobicContact CE2-CB 4Å; F55-F71 AromaticContact CE2-CD2 3.79Å; F55-F71 HydrophobicContact CE2-CD2 3.79Å; F55-F71 HydrophobicContact CE2-CG 4.31Å; F55-W74 HydrophobicContact CE1-CB 4.32Å; F55-W74 HydrophobicContact CE2-CD2 4.21Å; F55-W74 AromaticContact CE2-CE3 3.87Å; F55-W74 HydrophobicContact CE2-CE3 3.87Å; F55-W74 HydrophobicContact CE2-CZ3 4.42Å; F55-W74 HydrophobicContact CZ-CB 3.73Å; F55-W74 AromaticContact CZ-CD2 3.77Å; F55-W74 HydrophobicContact CZ-CD2 3.77Å; F55-W74 AromaticContact CZ-CE3 3.89Å; F55-W74 HydrophobicContact CZ-CE3 3.89Å; F55-W74 AromaticContact CZ-CG 3.7Å; F55-W74 HydrophobicContact CZ-CG 3.7Å |
| 56 | R | 91.5 | Very high | 75.9 | Confident | 87 Ų | 87 | 76 Ų | 76 | 33% | 0.328 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 161.2 | 164 | 70.2 | -178.6 | -166.7 | 104.2 | 5 | 108.2 | E32 S33 W34 Q58 | E32-R56 IonicContact OE1-NH1 3.71Å; E32-R56 PolarHBondContact OE1-NH1 2.87Å; E32-R56 IonicContact OE2-NH1 2.75Å; S33-R56 CarbonylContact O-C 3.49Å; S33-R56 VanDerWaalsContact O-CA 3.28Å; S33-R56 WeakPolarHBondContact O-CA 3.41Å; W34-R56 HydrophobicContact CD2-CB 3.89Å; W34-R56 HydrophobicContact CE3-CB 4.02Å; W34-R56 HydrophobicContact CG-CB 4.38Å; W34-R56 HydrophobicContact CH2-CB 4.26Å; W34-R56 HydrophobicContact CZ2-CB 4.11Å; W34-R56 HydrophobicContact CZ3-CB 4.21Å; R56-Q58 PolarHBondContact O-N 2.82Å |
| 57 | N | 86.4 | Confident | 77.2 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | trans | -51 | 133.2 | 171.6 | 58.7 | -30.4 | 0 | 0 | 0 | 110.7 | N31 E32 S33 C65 | N31-N57 PolarHBondContact O-ND2 2.97Å; E32-N57 WeakPolarHBondContact CA-OD1 3.47Å; E32-N57 VanDerWaalsContact CB-OD1 3.22Å; E32-N57 WeakPolarHBondContact CB-OD1 3.1Å; E32-N57 WeakPolarHBondContact CG-OD1 3.31Å; S33-N57 PolarHBondContact O-N 3.46Å; N57-C65 CarbonylContact C-O 3.58Å; N57-C65 VanDerWaalsContact CA-O 3.32Å; N57-C65 WeakPolarHBondContact CA-O 3.49Å | ||
| 58 | Q | 70.3 | Confident | 78.5 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.3 | 174.5 | -62 | -171.6 | 19.3 | 0 | 0 | 107.7 | Q4 R56 D60 C65 | Q4-Q58 PolarHBondContact O-OE1 3.24Å; R56-Q58 PolarHBondContact O-N 2.82Å; Q58-D60 PolarHBondContact O-N 3.37Å; Q58-C65 HydrophobicContact CB-CB 4.36Å; Q58-C65 PolarHBondContact N-O 3.11Å; Q58-C65 PolarHBondContact O-N 3.18Å |
| 59 | V | 56.8 | Low | 79.3 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 56% | 0.558 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 87.8 | 172.3 | -169.6 | 0 | 0 | 0 | 0 | 105.6 | ||
| 60 | D | 52.2 | Low | 79.7 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 136.9 | 163.2 | -179.1 | 28.9 | 0 | 0 | 0 | 107.3 | Q58 E62 T63 | Q58-D60 PolarHBondContact O-N 3.37Å; D60-E62 PolarHBondContact O-N 3.01Å; D60-T63 PolarHBondContact N-O 3.42Å; D60-T63 CarbonylContact O-C 3.53Å; D60-T63 PolarHBondContact O-N 3.16Å; D60-T63 VanDerWaalsContact O-O 3.09Å |
| 61 | P | 41.7 | Very low | 79.9 | Confident | 131 Ų | 131 | 55 Ų | 55 | 85% | 0.851 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -22.9 | 175.2 | 9.5 | -27.6 | 0 | 0 | 0 | 115.6 | ||
| 62 | E | 46.6 | Very low | 79.9 | Confident | 173 Ų | 173 | 52.6 Ų | 52.6 | 81% | 0.808 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -19.5 | 177.8 | -64.2 | -175.2 | 177.2 | 0 | 0 | 114.1 | D60 | D60-E62 PolarHBondContact O-N 3.01Š|
| 63 | T | 53.5 | Low | 79.7 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 124.4 | -177.6 | 55.4 | 0 | 0 | 0 | 0 | 113 | D60 C65 | D60-T63 PolarHBondContact N-O 3.42Å; D60-T63 CarbonylContact O-C 3.53Å; D60-T63 PolarHBondContact O-N 3.16Å; D60-T63 VanDerWaalsContact O-O 3.09Å; T63-C65 PolarHBondContact O-N 3.35Å |
| 64 | H | 65.1 | Low | 79.5 | Confident | 145 Ų | 145 | 48.9 Ų | 48.9 | 67% | 0.671 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 95.9 | 161.7 | -84.4 | -75.2 | 0 | 0 | 0 | 108.6 | ||
| 65 | C | 78.8 | Confident | 79.4 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118 | 179.7 | -165 | 0 | 0 | 0 | 0 | 110.5 | N57 Q58 T63 | N57-C65 CarbonylContact C-O 3.58Å; N57-C65 VanDerWaalsContact CA-O 3.32Å; N57-C65 WeakPolarHBondContact CA-O 3.49Å; Q58-C65 HydrophobicContact CB-CB 4.36Å; Q58-C65 PolarHBondContact N-O 3.11Å; Q58-C65 PolarHBondContact O-N 3.18Å; T63-C65 PolarHBondContact O-N 3.35Å |
| 66 | H | 89.2 | Confident | 79.2 | Confident | 64 Ų | 64 | 51 Ų | 51 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | trans | -71.1 | 153.5 | 176.8 | -66.8 | 169.1 | 0 | 0 | 0 | 111.6 | E68 R69 C70 C97 C100 | H66-E68 WeakPolarHBondContact CB-OE2 3.43Å; H66-E68 PolarHBondContact O-N 3.4Å; H66-R69 HydrophobicContact CB-CG 4.48Å; H66-R69 PolarHBondContact O-N 2.81Å; H66-R69 VanDerWaalsContact O-N 3.08Å; H66-C70 PolarHBondContact O-N 3.48Å; H66-C70 PolarHBondContact O-SG 2.97Å; H66-C97 VanDerWaalsContact CE1-SG 3.51Å; H66-C97 PolarHBondContact ND1-SG 2.83Å; H66-C97 VanDerWaalsContact ND1-SG 3.36Å; H66-C100 VanDerWaalsContact CB-SG 3.57Å; H66-C100 PolarHBondContact ND1-SG 2.99Å | ||
| 67 | A | 92.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -31.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L35 F55 C70 F71 | L35-A67 HydrophobicContact CB-CB 3.77Å; L35-A67 HydrophobicContact CD1-CB 4.45Å; F55-A67 HydrophobicContact CB-CB 4.12Å; A67-C70 PolarHBondContact O-N 2.88Å; A67-F71 PolarHBondContact O-N 3.32Å |
| 68 | E | 94.7 | Very high | 79.2 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 174.4 | -62.5 | 86.9 | 158.7 | 0 | 0 | 111.3 | L35 H66 F71 L72 W90 P96 C100 | L35-E68 HydrophobicContact CD1-CG 4.24Å; H66-E68 WeakPolarHBondContact CB-OE2 3.43Å; H66-E68 PolarHBondContact O-N 3.4Å; E68-F71 WeakPolarHBondContact O-CB 3.44Å; E68-F71 PolarHBondContact O-N 2.97Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 2.99Å; E68-W90 HydrophobicContact CB-CH2 4.26Å; E68-W90 HydrophobicContact CB-CZ3 4.19Å; E68-W90 HydrophobicContact CG-CH2 4.4Å; E68-W90 HydrophobicContact CG-CZ3 3.83Å; E68-P96 HydrophobicContact CG-CB 4.35Å; E68-P96 HydrophobicContact CG-CG 4.27Å; E68-P96 WeakPolarHBondContact OE1-CA 3.28Å; E68-C100 HydrophobicContact CB-CB 4.04Å; E68-C100 HydrophobicContact CG-CB 4.23Å |
| 69 | R | 92.5 | Very high | 80.1 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 178.5 | -55.8 | -173.6 | 76.8 | -169.3 | 7.6 | 111.3 | H66 F71 L72 S73 E103 | H66-R69 HydrophobicContact CB-CG 4.48Å; H66-R69 PolarHBondContact O-N 2.81Å; H66-R69 VanDerWaalsContact O-N 3.08Å; R69-F71 VanDerWaalsContact C-N 3.31Å; R69-F71 PolarHBondContact O-N 3.36Å; R69-L72 PolarHBondContact O-N 3.02Å; R69-S73 PolarHBondContact O-N 3.22Å; R69-E103 WeakPolarHBondContact CG-OE2 3.46Å; R69-E103 IonicContact CZ-OE1 2.86Å; R69-E103 IonicContact CZ-OE2 3.73Å; R69-E103 VanDerWaalsContact NE-CD 3.34Å; R69-E103 IonicContact NE-OE1 2.75Å; R69-E103 PolarHBondContact NE-OE1 2.75Å; R69-E103 IonicContact NE-OE2 3.77Å; R69-E103 PolarHBondContact NE-OE2 2.98Å; R69-E103 IonicContact NH2-OE1 3.14Å; R69-E103 PolarHBondContact NH2-OE1 3.3Å; R69-E103 IonicContact NH2-OE2 3.73Å |
| 70 | C | 92 | Very high | 81.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 172.6 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | I5 F55 H66 A67 W74 | I5-C70 HydrophobicContact CG2-CB 3.95Å; F55-C70 HydrophobicContact CD1-CB 3.67Å; F55-C70 HydrophobicContact CE1-CB 4.12Å; F55-C70 HydrophobicContact CG-CB 4.27Å; H66-C70 PolarHBondContact O-N 3.48Å; H66-C70 PolarHBondContact O-SG 2.97Å; A67-C70 PolarHBondContact O-N 2.88Å; C70-W74 WeakPolarHBondContact O-CB 3.46Å; C70-W74 PolarHBondContact O-N 3.17Å; C70-W74 VanDerWaalsContact O-N 3.14Å |
| 71 | F | 94.8 | Very high | 83.4 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.5 | 177.3 | -80.5 | 0 | 0 | 0 | 111.1 | L35 F37 F55 A67 E68 R69 S73 W74 F75 V88 W90 | L35-F71 HydrophobicContact CD1-CB 4.29Å; L35-F71 HydrophobicContact CD2-CD2 4.19Å; F37-F71 HydrophobicContact CB-CD2 4.24Å; F37-F71 HydrophobicContact CB-CE2 3.84Å; F37-F71 AromaticContact CD1-CD2 3.77Å; F37-F71 HydrophobicContact CD1-CD2 3.77Å; F37-F71 AromaticContact CD1-CE2 3.84Å; F37-F71 HydrophobicContact CD1-CE2 3.84Å; F37-F71 HydrophobicContact CD2-CD2 4.49Å; F37-F71 AromaticContact CD2-CE2 3.74Å; F37-F71 HydrophobicContact CD2-CE2 3.74Å; F37-F71 HydrophobicContact CE1-CD2 4.23Å; F37-F71 HydrophobicContact CE1-CE2 4.32Å; F37-F71 HydrophobicContact CE2-CE2 4.24Å; F37-F71 AromaticContact CG-CD2 3.91Å; F37-F71 HydrophobicContact CG-CD2 3.91Å; F37-F71 AromaticContact CG-CE2 3.52Å; F37-F71 HydrophobicContact CG-CE2 3.52Å; F55-F71 HydrophobicContact CD2-CB 3.9Å; F55-F71 HydrophobicContact CD2-CD2 4.01Å; F55-F71 HydrophobicContact CD2-CG 4.46Å; F55-F71 HydrophobicContact CE2-CB 4Å; F55-F71 AromaticContact CE2-CD2 3.79Å; F55-F71 HydrophobicContact CE2-CD2 3.79Å; F55-F71 HydrophobicContact CE2-CG 4.31Å; A67-F71 PolarHBondContact O-N 3.32Å; E68-F71 WeakPolarHBondContact O-CB 3.44Å; E68-F71 PolarHBondContact O-N 2.97Å; R69-F71 VanDerWaalsContact C-N 3.31Å; R69-F71 PolarHBondContact O-N 3.36Å; F71-S73 PolarHBondContact O-N 3.48Å; F71-W74 HydrophobicContact CD2-CE3 4.27Å; F71-W74 HydrophobicContact CD2-CZ3 4.23Å; F71-W74 HydrophobicContact CE2-CE3 4.3Å; F71-W74 AromaticContact CE2-CZ3 3.86Å; F71-W74 HydrophobicContact CE2-CZ3 3.86Å; F71-W74 HydrophobicContact CZ-CZ3 4.41Å; F71-W74 PolarHBondContact O-N 3.46Å; F71-F75 HydrophobicContact CD1-CB 4.17Å; F71-F75 HydrophobicContact CE1-CB 3.83Å; F71-F75 HydrophobicContact CE1-CD1 4.23Å; F71-F75 HydrophobicContact CE1-CD2 4.49Å; F71-F75 AromaticContact CE1-CG 3.94Å; F71-F75 HydrophobicContact CE1-CG 3.94Å; F71-F75 HydrophobicContact CZ-CB 4.27Å; F71-F75 HydrophobicContact CZ-CD2 4.32Å; F71-F75 HydrophobicContact CZ-CG 4.22Å; F71-F75 WeakPolarHBondContact O-CB 3.34Å; F71-F75 PolarHBondContact O-N 3.06Å; F71-V88 HydrophobicContact CE1-CG1 4.32Å; F71-V88 HydrophobicContact CE2-CG1 4.35Å; F71-V88 HydrophobicContact CZ-CG1 3.66Å; F71-W90 HydrophobicContact CB-CZ2 4.27Å; F71-W90 AromaticContact CD1-CE2 3.75Å; F71-W90 HydrophobicContact CD1-CH2 4.35Å; F71-W90 AromaticContact CD1-CZ2 3.27Å; F71-W90 HydrophobicContact CD1-CZ2 3.27Å; F71-W90 AromaticContact CD1-NE1 3.69Å; F71-W90 AromaticContact CD2-NE1 3.71Å; F71-W90 AromaticContact CE1-CE2 3.91Å; F71-W90 AromaticContact CE1-CZ2 3.67Å; F71-W90 HydrophobicContact CE1-CZ2 3.67Å; F71-W90 AromaticContact CE1-NE1 3.51Å; F71-W90 AromaticContact CE2-NE1 3.55Å; F71-W90 AromaticContact CG-CE2 3.98Å; F71-W90 AromaticContact CG-CZ2 3.79Å; F71-W90 HydrophobicContact CG-CZ2 3.79Å; F71-W90 AromaticContact CG-NE1 3.78Å; F71-W90 HydrophobicContact CZ-CZ2 4.49Å; F71-W90 AromaticContact CZ-NE1 3.45Å |
| 72 | L | 94.4 | Very high | 85.4 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | -177.6 | -72.7 | -176.1 | 0 | 0 | 0 | 112.1 | E68 R69 F75 C76 E103 V104 F107 | E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 2.99Å; R69-L72 PolarHBondContact O-N 3.02Å; L72-F75 PolarHBondContact O-N 2.84Å; L72-C76 WeakPolarHBondContact O-CB 3.36Å; L72-C76 PolarHBondContact O-N 2.88Å; L72-C76 PolarHBondContact O-SG 3.07Å; L72-E103 HydrophobicContact CD1-CB 4.32Å; L72-V104 HydrophobicContact CD1-CG2 3.78Å; L72-V104 HydrophobicContact CD2-CG2 4.48Å; L72-V104 HydrophobicContact CG-CG2 4.28Å; L72-F107 HydrophobicContact CD1-CB 4.39Å; L72-F107 HydrophobicContact CD2-CB 4.18Å; L72-F107 HydrophobicContact CD2-CD1 3.89Å; L72-F107 HydrophobicContact CD2-CD2 4.04Å; L72-F107 HydrophobicContact CD2-CE1 4.41Å; L72-F107 HydrophobicContact CD2-CG 3.73Å |
| 73 | S | 92.1 | Very high | 87.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -52.3 | 177.8 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | I5 R69 F71 F75 C76 D77 | I5-S73 WeakPolarHBondContact CD1-OG 3.38Å; R69-S73 PolarHBondContact O-N 3.22Å; F71-S73 PolarHBondContact O-N 3.48Å; S73-F75 VanDerWaalsContact C-N 3.28Å; S73-F75 PolarHBondContact O-N 2.86Å; S73-C76 PolarHBondContact O-N 3.04Å; S73-D77 WeakPolarHBondContact O-CB 3.48Å; S73-D77 PolarHBondContact O-N 3.29Å; S73-D77 VanDerWaalsContact O-OD2 3.1Å; S73-D77 PolarHBondContact OG-OD2 3.36Å |
| 74 | W | 92.9 | Very high | 88.9 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 177.7 | 167.7 | 77.1 | 0 | 0 | 0 | 112.3 | P8 F37 K51 F55 C70 F71 D78 I79 | P8-W74 HydrophobicContact CG-CD2 4.48Å; P8-W74 HydrophobicContact CG-CZ2 3.93Å; F37-W74 HydrophobicContact CE1-CH2 4.37Å; F37-W74 HydrophobicContact CE1-CZ3 4.21Å; F37-W74 AromaticContact CE2-CH2 3.57Å; F37-W74 HydrophobicContact CE2-CH2 3.57Å; F37-W74 AromaticContact CE2-CZ3 3.77Å; F37-W74 HydrophobicContact CE2-CZ3 3.77Å; F37-W74 HydrophobicContact CZ-CE3 4.43Å; F37-W74 AromaticContact CZ-CH2 3.36Å; F37-W74 HydrophobicContact CZ-CH2 3.36Å; F37-W74 HydrophobicContact CZ-CZ2 4.14Å; F37-W74 AromaticContact CZ-CZ3 3.55Å; F37-W74 HydrophobicContact CZ-CZ3 3.55Å; K51-W74 HydrophobicContact CD-CH2 3.9Å; K51-W74 HydrophobicContact CD-CZ2 3.86Å; F55-W74 HydrophobicContact CE1-CB 4.32Å; F55-W74 HydrophobicContact CE2-CD2 4.21Å; F55-W74 AromaticContact CE2-CE3 3.87Å; F55-W74 HydrophobicContact CE2-CE3 3.87Å; F55-W74 HydrophobicContact CE2-CZ3 4.42Å; F55-W74 HydrophobicContact CZ-CB 3.73Å; F55-W74 AromaticContact CZ-CD2 3.77Å; F55-W74 HydrophobicContact CZ-CD2 3.77Å; F55-W74 AromaticContact CZ-CE3 3.89Å; F55-W74 HydrophobicContact CZ-CE3 3.89Å; F55-W74 AromaticContact CZ-CG 3.7Å; F55-W74 HydrophobicContact CZ-CG 3.7Å; C70-W74 WeakPolarHBondContact O-CB 3.46Å; C70-W74 PolarHBondContact O-N 3.17Å; C70-W74 VanDerWaalsContact O-N 3.14Å; F71-W74 HydrophobicContact CD2-CE3 4.27Å; F71-W74 HydrophobicContact CD2-CZ3 4.23Å; F71-W74 HydrophobicContact CE2-CE3 4.3Å; F71-W74 AromaticContact CE2-CZ3 3.86Å; F71-W74 HydrophobicContact CE2-CZ3 3.86Å; F71-W74 HydrophobicContact CZ-CZ3 4.41Å; F71-W74 PolarHBondContact O-N 3.46Å; W74-D78 WeakPolarHBondContact O-CB 3.35Å; W74-D78 PolarHBondContact O-N 2.95Å; W74-I79 HydrophobicContact CD2-CG1 4.26Å; W74-I79 HydrophobicContact CE3-CG1 4.35Å; W74-I79 HydrophobicContact CH2-CD1 4.05Å; W74-I79 HydrophobicContact CH2-CG1 3.76Å; W74-I79 HydrophobicContact CZ2-CD1 3.62Å; W74-I79 HydrophobicContact CZ2-CG1 3.64Å; W74-I79 HydrophobicContact CZ3-CG1 4.11Å |
| 75 | F | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | -179.6 | -175.3 | -120.7 | 0 | 0 | 0 | 111.5 | M39 F71 L72 S73 I79 L80 Y86 F107 V114 | M39-F75 HydrophobicContact SD-CD2 4.04Å; M39-F75 HydrophobicContact SD-CE2 3.43Å; M39-F75 WeakPolarHBondContact SD-CE2 3.35Å; M39-F75 HydrophobicContact SD-CZ 4.38Å; F71-F75 HydrophobicContact CD1-CB 4.17Å; F71-F75 HydrophobicContact CE1-CB 3.83Å; F71-F75 HydrophobicContact CE1-CD1 4.23Å; F71-F75 HydrophobicContact CE1-CD2 4.49Å; F71-F75 AromaticContact CE1-CG 3.94Å; F71-F75 HydrophobicContact CE1-CG 3.94Å; F71-F75 HydrophobicContact CZ-CB 4.27Å; F71-F75 HydrophobicContact CZ-CD2 4.32Å; F71-F75 HydrophobicContact CZ-CG 4.22Å; F71-F75 WeakPolarHBondContact O-CB 3.34Å; F71-F75 PolarHBondContact O-N 3.06Å; L72-F75 PolarHBondContact O-N 2.84Å; S73-F75 VanDerWaalsContact C-N 3.28Å; S73-F75 PolarHBondContact O-N 2.86Å; F75-I79 HydrophobicContact CD2-CB 3.68Å; F75-I79 HydrophobicContact CD2-CG1 4.3Å; F75-I79 HydrophobicContact CD2-CG2 3.65Å; F75-I79 HydrophobicContact CE2-CB 4.04Å; F75-I79 HydrophobicContact CE2-CG2 3.54Å; F75-I79 CarbonylContact O-C 3.42Å; F75-I79 WeakPolarHBondContact O-CB 3.32Å; F75-I79 PolarHBondContact O-N 3.46Å; F75-L80 HydrophobicContact CE1-CD1 3.93Å; F75-L80 HydrophobicContact CZ-CD1 4.09Å; F75-L80 WeakPolarHBondContact O-CB 3.49Å; F75-L80 PolarHBondContact O-N 3.42Å; F75-Y86 AromaticContact CE2-CD1 3.71Å; F75-Y86 HydrophobicContact CE2-CD1 3.71Å; F75-Y86 AromaticContact CE2-CE1 3.89Å; F75-Y86 HydrophobicContact CE2-CE1 3.89Å; F75-Y86 HydrophobicContact CE2-CG 4.26Å; F75-Y86 AromaticContact CZ-CD1 3.64Å; F75-Y86 HydrophobicContact CZ-CD1 3.64Å; F75-Y86 HydrophobicContact CZ-CD2 4.16Å; F75-Y86 HydrophobicContact CZ-CE1 4.01Å; F75-Y86 AromaticContact CZ-CG 3.71Å; F75-Y86 HydrophobicContact CZ-CG 3.71Å; F75-F107 HydrophobicContact CD1-CE1 4.26Å; F75-F107 HydrophobicContact CD1-CE2 4.22Å; F75-F107 AromaticContact CD1-CZ 3.6Å; F75-F107 HydrophobicContact CD1-CZ 3.6Å; F75-F107 HydrophobicContact CE1-CE1 4.09Å; F75-F107 AromaticContact CE1-CZ 3.54Å; F75-F107 HydrophobicContact CE1-CZ 3.54Å; F75-V114 HydrophobicContact CE1-CG1 4.25Å; F75-V114 HydrophobicContact CE1-CG2 3.94Å; F75-V114 HydrophobicContact CZ-CG2 4.2Å |
| 76 | C | 91.9 | Very high | 91 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 34% | 0.338 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 177.3 | -71.4 | 0 | 0 | 0 | 0 | 112.6 | L72 S73 F107 | L72-C76 WeakPolarHBondContact O-CB 3.36Å; L72-C76 PolarHBondContact O-N 2.88Å; L72-C76 PolarHBondContact O-SG 3.07Å; S73-C76 PolarHBondContact O-N 3.04Å; C76-F107 VanDerWaalsContact SG-CE2 3.54Å |
| 77 | D | 90 | Very high | 91.3 | Very high | 107 Ų | 107 | 45.1 Ų | 45.1 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -79 | -39.4 | -170.8 | -63.4 | -29.5 | 0 | 0 | 0 | 112 | S73 | S73-D77 WeakPolarHBondContact O-CB 3.48Å; S73-D77 PolarHBondContact O-N 3.29Å; S73-D77 VanDerWaalsContact O-OD2 3.1Å; S73-D77 PolarHBondContact OG-OD2 3.36Å |
| 78 | D | 87 | Confident | 91.5 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -110.1 | -19.4 | -168.6 | -62.5 | -37.3 | 0 | 0 | 0 | 114.7 | W74 | W74-D78 WeakPolarHBondContact O-CB 3.35Å; W74-D78 PolarHBondContact O-N 2.95Å |
| 79 | I | 89.9 | Confident | 91.7 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -39.5 | -164.1 | -52.5 | -62 | 0 | 0 | 0 | 113.4 | M39 K51 W74 F75 S81 Y86 | M39-I79 HydrophobicContact CE-CG2 3.6Å; M39-I79 HydrophobicContact SD-CG2 3.84Å; K51-I79 HydrophobicContact CD-CD1 4.13Å; K51-I79 VanDerWaalsContact NZ-CD1 3.26Å; W74-I79 HydrophobicContact CD2-CG1 4.26Å; W74-I79 HydrophobicContact CE3-CG1 4.35Å; W74-I79 HydrophobicContact CH2-CD1 4.05Å; W74-I79 HydrophobicContact CH2-CG1 3.76Å; W74-I79 HydrophobicContact CZ2-CD1 3.62Å; W74-I79 HydrophobicContact CZ2-CG1 3.64Å; W74-I79 HydrophobicContact CZ3-CG1 4.11Å; F75-I79 HydrophobicContact CD2-CB 3.68Å; F75-I79 HydrophobicContact CD2-CG1 4.3Å; F75-I79 HydrophobicContact CD2-CG2 3.65Å; F75-I79 HydrophobicContact CE2-CB 4.04Å; F75-I79 HydrophobicContact CE2-CG2 3.54Å; F75-I79 CarbonylContact O-C 3.42Å; F75-I79 WeakPolarHBondContact O-CB 3.32Å; F75-I79 PolarHBondContact O-N 3.46Å; I79-S81 PolarHBondContact O-N 3.08Å; I79-Y86 HydrophobicContact CG2-CE1 3.97Å; I79-Y86 PolarHBondContact O-OH 3.14Å |
| 80 | L | 89.8 | Confident | 92 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | trans | -65.9 | 129.2 | -173.1 | -170.1 | 66.8 | 0 | 0 | 0 | 109.9 | F75 Y86 F107 V114 | F75-L80 HydrophobicContact CE1-CD1 3.93Å; F75-L80 HydrophobicContact CZ-CD1 4.09Å; F75-L80 WeakPolarHBondContact O-CB 3.49Å; F75-L80 PolarHBondContact O-N 3.42Å; L80-Y86 WeakPolarHBondContact CA-OH 3.48Å; L80-Y86 HydrophobicContact CD1-CD2 4.37Å; L80-Y86 HydrophobicContact CD1-CE2 3.89Å; L80-F107 HydrophobicContact CD2-CE2 4.41Å; L80-V114 HydrophobicContact CD1-CG2 4.26Å | ||
| 81 | S | 88.3 | Confident | 92.3 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | trans | -141.9 | 144 | -177 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | I79 T84 Y86 | I79-S81 PolarHBondContact O-N 3.08Å; S81-T84 WeakPolarHBondContact OG-CB 3.15Å; S81-T84 PolarHBondContact OG-OG1 3.49Å; S81-Y86 PolarHBondContact N-OH 2.88Å; S81-Y86 PolarHBondContact OG-OH 3.02Å | ||
| 82 | P | 83.4 | Confident | 92.5 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 73% | 0.734 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 149.5 | 173.1 | -21.8 | 32.9 | 0 | 0 | 0 | 111.7 | T84 | P82-T84 VanDerWaalsContact C-N 3.28Å; P82-T84 PolarHBondContact O-N 3.04Å |
| 83 | N | 83 | Confident | 92.6 | Very high | 131 Ų | 131 | 41.7 Ų | 41.7 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 27.9 | 176.4 | -55.3 | -33.6 | 0 | 0 | 0 | 115.4 | ||
| 84 | T | 89.8 | Confident | 92.7 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.9 | 177.9 | -58.7 | 0 | 0 | 0 | 0 | 109.4 | V41 S81 P82 Y86 N113 | V41-T84 HydrophobicContact CG1-CG2 3.16Å; S81-T84 WeakPolarHBondContact OG-CB 3.15Å; S81-T84 PolarHBondContact OG-OG1 3.49Å; P82-T84 VanDerWaalsContact C-N 3.28Å; P82-T84 PolarHBondContact O-N 3.04Å; T84-Y86 HydrophobicContact CG2-CD2 4.36Å; T84-Y86 HydrophobicContact CG2-CE1 3.98Å; T84-Y86 HydrophobicContact CG2-CE2 3.72Å; T84-Y86 WeakPolarHBondContact O-CD2 3.36Å; T84-Y86 VanDerWaalsContact O-CE2 3.3Å; T84-Y86 WeakPolarHBondContact O-CE2 3.49Å; T84-N113 WeakPolarHBondContact O-CB 3.17Å; T84-N113 PolarHBondContact O-ND2 3.04Å |
| 85 | N | 92.8 | Very high | 92.8 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.4 | 175 | -64.8 | -34.4 | 0 | 0 | 0 | 110.3 | T42 N113 | T42-N85 PolarHBondContact N-O 3.23Å; T42-N85 PolarHBondContact O-N 3.31Å; N85-N113 WeakPolarHBondContact CA-O 3.3Å |
| 86 | Y | 95.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.3 | -174.7 | -60 | -92.2 | 0 | 0 | 0 | 110.5 | M39 V41 F75 I79 L80 S81 T84 N113 V114 N115 | M39-Y86 HydrophobicContact CG-CD1 4.34Å; M39-Y86 HydrophobicContact SD-CD1 3.76Å; M39-Y86 HydrophobicContact SD-CE1 4.29Å; V41-Y86 HydrophobicContact CB-CD1 4.45Å; V41-Y86 HydrophobicContact CG1-CD1 4.09Å; V41-Y86 HydrophobicContact CG1-CE1 3.77Å; V41-Y86 HydrophobicContact CG2-CD1 3.85Å; V41-Y86 HydrophobicContact CG2-CE1 4Å; F75-Y86 AromaticContact CE2-CD1 3.71Å; F75-Y86 HydrophobicContact CE2-CD1 3.71Å; F75-Y86 AromaticContact CE2-CE1 3.89Å; F75-Y86 HydrophobicContact CE2-CE1 3.89Å; F75-Y86 HydrophobicContact CE2-CG 4.26Å; F75-Y86 AromaticContact CZ-CD1 3.64Å; F75-Y86 HydrophobicContact CZ-CD1 3.64Å; F75-Y86 HydrophobicContact CZ-CD2 4.16Å; F75-Y86 HydrophobicContact CZ-CE1 4.01Å; F75-Y86 AromaticContact CZ-CG 3.71Å; F75-Y86 HydrophobicContact CZ-CG 3.71Å; I79-Y86 HydrophobicContact CG2-CE1 3.97Å; I79-Y86 PolarHBondContact O-OH 3.14Å; L80-Y86 WeakPolarHBondContact CA-OH 3.48Å; L80-Y86 HydrophobicContact CD1-CD2 4.37Å; L80-Y86 HydrophobicContact CD1-CE2 3.89Å; S81-Y86 PolarHBondContact N-OH 2.88Å; S81-Y86 PolarHBondContact OG-OH 3.02Å; T84-Y86 HydrophobicContact CG2-CD2 4.36Å; T84-Y86 HydrophobicContact CG2-CE1 3.98Å; T84-Y86 HydrophobicContact CG2-CE2 3.72Å; T84-Y86 WeakPolarHBondContact O-CD2 3.36Å; T84-Y86 VanDerWaalsContact O-CE2 3.3Å; T84-Y86 WeakPolarHBondContact O-CE2 3.49Å; Y86-N113 PolarHBondContact N-O 3.23Å; Y86-V114 HydrophobicContact CD2-CG2 4Å; Y86-V114 HydrophobicContact CG-CG2 4.4Å; Y86-N115 PolarHBondContact O-N 3.47Å |
| 87 | E | 96.2 | Very high | 92.9 | Very high | 90 Ų | 90 | 40.9 Ų | 40.9 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 100.3 | 169.3 | -68.9 | -65.4 | 152.1 | 0 | 0 | 108.1 | M39 E40 N115 | M39-E87 WeakPolarHBondContact CA-O 3.4Å; E40-E87 HydrophobicContact CB-CB 4.29Å; E40-E87 PolarHBondContact N-O 3.29Å; E40-E87 PolarHBondContact O-N 2.9Å; E87-N115 PolarHBondContact OE1-ND2 2.89Å; E87-N115 WeakPolarHBondContact OE2-CB 3.38Å; E87-N115 PolarHBondContact OE2-ND2 3.02Å |
| 88 | V | 97.7 | Very high | 93 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130.3 | -175.1 | -175 | 0 | 0 | 0 | 0 | 109.4 | M39 F71 V114 N115 L116 T117 | M39-V88 HydrophobicContact CG-CG2 4.12Å; F71-V88 HydrophobicContact CE1-CG1 4.32Å; F71-V88 HydrophobicContact CE2-CG1 4.35Å; F71-V88 HydrophobicContact CZ-CG1 3.66Å; V88-V114 HydrophobicContact CG2-CG1 4.03Å; V88-N115 PolarHBondContact N-O 2.67Å; V88-L116 HydrophobicContact CB-CD1 3.93Å; V88-L116 HydrophobicContact CG1-CD1 3.71Å; V88-L116 WeakPolarHBondContact O-CA 3.4Å; V88-T117 PolarHBondContact O-N 3.31Å |
| 89 | T | 98.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.5 | 170.6 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | F37 T38 Y91 T117 F119 | F37-T89 CarbonylContact C-O 3.54Å; F37-T89 WeakPolarHBondContact CA-O 3.43Å; T38-T89 PolarHBondContact N-O 2.88Å; T38-T89 PolarHBondContact O-N 3.31Å; T38-T89 WeakPolarHBondContact OG1-CB 3.44Å; T89-Y91 HydrophobicContact CG2-CD2 4.33Å; T89-Y91 HydrophobicContact CG2-CE1 4.36Å; T89-Y91 HydrophobicContact CG2-CE2 3.71Å; T89-T117 CarbonylContact C-O 3.59Å; T89-T117 VanDerWaalsContact CA-O 3.28Å; T89-T117 WeakPolarHBondContact CA-O 3.44Å; T89-F119 HydrophobicContact CG2-CD2 3.61Å; T89-F119 HydrophobicContact CG2-CE2 3.66Å |
| 90 | W | 98.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 143.1 | 170.4 | -67.4 | -3.4 | 0 | 0 | 0 | 111.1 | L35 C36 E68 F71 T92 V104 L116 T117 I118 F119 | L35-W90 HydrophobicContact CD1-CD2 3.77Å; L35-W90 HydrophobicContact CD1-CE3 3.79Å; L35-W90 HydrophobicContact CD1-CG 4.26Å; L35-W90 HydrophobicContact CD1-CH2 4.36Å; L35-W90 HydrophobicContact CD1-CZ2 4.38Å; L35-W90 HydrophobicContact CD1-CZ3 4.08Å; L35-W90 HydrophobicContact CD2-CD2 4.32Å; L35-W90 HydrophobicContact CD2-CG 4.04Å; L35-W90 HydrophobicContact CG-CB 4.46Å; L35-W90 HydrophobicContact CG-CD2 4.22Å; L35-W90 HydrophobicContact CG-CG 4.19Å; C36-W90 CarbonylContact O-C 3.52Å; C36-W90 WeakPolarHBondContact O-CA 3.3Å; E68-W90 HydrophobicContact CB-CH2 4.26Å; E68-W90 HydrophobicContact CB-CZ3 4.19Å; E68-W90 HydrophobicContact CG-CH2 4.4Å; E68-W90 HydrophobicContact CG-CZ3 3.83Å; F71-W90 HydrophobicContact CB-CZ2 4.27Å; F71-W90 AromaticContact CD1-CE2 3.75Å; F71-W90 HydrophobicContact CD1-CH2 4.35Å; F71-W90 AromaticContact CD1-CZ2 3.27Å; F71-W90 HydrophobicContact CD1-CZ2 3.27Å; F71-W90 AromaticContact CD1-NE1 3.69Å; F71-W90 AromaticContact CD2-NE1 3.71Å; F71-W90 AromaticContact CE1-CE2 3.91Å; F71-W90 AromaticContact CE1-CZ2 3.67Å; F71-W90 HydrophobicContact CE1-CZ2 3.67Å; F71-W90 AromaticContact CE1-NE1 3.51Å; F71-W90 AromaticContact CE2-NE1 3.55Å; F71-W90 AromaticContact CG-CE2 3.98Å; F71-W90 AromaticContact CG-CZ2 3.79Å; F71-W90 HydrophobicContact CG-CZ2 3.79Å; F71-W90 AromaticContact CG-NE1 3.78Å; F71-W90 HydrophobicContact CZ-CZ2 4.49Å; F71-W90 AromaticContact CZ-NE1 3.45Å; W90-T92 HydrophobicContact CB-CG2 4.16Å; W90-T92 HydrophobicContact CE3-CG2 4.39Å; W90-V104 HydrophobicContact CH2-CG1 4.29Å; W90-V104 HydrophobicContact CH2-CG2 3.62Å; W90-V104 HydrophobicContact CZ3-CG2 4.02Å; W90-L116 HydrophobicContact CD2-CD1 3.9Å; W90-L116 HydrophobicContact CG-CD1 3.95Å; W90-L116 HydrophobicContact CH2-CD2 4.36Å; W90-L116 HydrophobicContact CZ2-CD1 4.39Å; W90-L116 HydrophobicContact CZ2-CD2 4.36Å; W90-L116 HydrophobicContact CZ3-CD2 4.42Å; W90-T117 PolarHBondContact N-O 3.39Å; W90-I118 HydrophobicContact CB-CG2 4.44Å; W90-I118 HydrophobicContact CE3-CD1 4.03Å; W90-I118 HydrophobicContact CE3-CG1 4.06Å; W90-I118 HydrophobicContact CZ3-CD1 4.29Å; W90-F119 PolarHBondContact O-N 3.02Å |
| 91 | Y | 98.6 | Very high | 93.7 | Very high | 21 Ų | 21 | 36 Ų | 36 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 101.3 | 166.9 | -56.7 | -89.1 | 0 | 0 | 0 | 107.9 | C36 T89 F119 M148 D152 C156 F160 | C36-Y91 PolarHBondContact N-O 2.92Å; C36-Y91 PolarHBondContact O-N 2.96Å; T89-Y91 HydrophobicContact CG2-CD2 4.33Å; T89-Y91 HydrophobicContact CG2-CE1 4.36Å; T89-Y91 HydrophobicContact CG2-CE2 3.71Å; Y91-F119 CarbonylContact C-O 3.56Å; Y91-F119 VanDerWaalsContact CA-O 3.23Å; Y91-F119 WeakPolarHBondContact CA-O 3.41Å; Y91-F119 HydrophobicContact CD1-CB 3.79Å; Y91-F119 HydrophobicContact CD1-CD2 4.13Å; Y91-F119 HydrophobicContact CD1-CG 4.22Å; Y91-F119 HydrophobicContact CE1-CB 4.25Å; Y91-F119 AromaticContact CE1-CD2 3.82Å; Y91-F119 HydrophobicContact CE1-CD2 3.82Å; Y91-F119 HydrophobicContact CE1-CE2 4.43Å; Y91-F119 HydrophobicContact CE1-CG 4.16Å; Y91-M148 HydrophobicContact CD1-CE 3.96Å; Y91-D152 HydrophobicContact CD1-CB 4.46Å; Y91-D152 HydrophobicContact CE1-CB 4.15Å; Y91-C156 WeakPolarHBondContact CB-SG 3.14Å; Y91-C156 WeakPolarHBondContact CD1-SG 3.11Å; Y91-F160 AromaticContact CD2-CE2 3.88Å; Y91-F160 HydrophobicContact CD2-CE2 3.88Å; Y91-F160 HydrophobicContact CD2-CZ 4.46Å; Y91-F160 HydrophobicContact CE2-CE2 4.13Å |
| 92 | T | 97.9 | Very high | 94 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 142.8 | -173.7 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | W34 L35 W90 W94 I118 F119 T120 A121 | W34-T92 CarbonylContact O-C 3.57Å; W34-T92 VanDerWaalsContact O-CA 3.32Å; W34-T92 WeakPolarHBondContact O-CA 3.38Å; L35-T92 HydrophobicContact CB-CG2 4.34Å; L35-T92 HydrophobicContact CD1-CG2 4.3Å; L35-T92 HydrophobicContact CG-CG2 4Å; W90-T92 HydrophobicContact CB-CG2 4.16Å; W90-T92 HydrophobicContact CE3-CG2 4.39Å; T92-W94 VanDerWaalsContact C-N 3.34Å; T92-W94 WeakPolarHBondContact CB-O 3.42Å; T92-W94 PolarHBondContact OG1-O 2.81Å; T92-I118 HydrophobicContact CG2-CG2 4.3Å; T92-F119 PolarHBondContact N-O 2.79Å; T92-T120 CarbonylContact O-C 3.5Å; T92-T120 WeakPolarHBondContact O-CA 3.43Å; T92-T120 VanDerWaalsContact OG1-CB 3.31Å; T92-T120 WeakPolarHBondContact OG1-CB 3.38Å; T92-T120 PolarHBondContact OG1-OG1 3.21Å; T92-T120 VanDerWaalsContact OG1-OG1 3.05Å; T92-A121 PolarHBondContact O-N 2.94Å |
| 93 | S | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -68.8 | -36.4 | 174 | 71 | 0 | 0 | 0 | 0 | 111.8 | H20 W34 R122 | H20-S93 VanDerWaalsContact O-CB 3.29Å; H20-S93 WeakPolarHBondContact O-CB 3.35Å; W34-S93 PolarHBondContact N-OG 3.19Å; W34-S93 PolarHBondContact O-N 3.43Å; S93-R122 PolarHBondContact O-N 3.25Å; S93-R122 PolarHBondContact O-NE 2.81Å; S93-R122 PolarHBondContact O-NH2 3.43Å |
| 94 | W | 95.2 | Very high | 95.3 | Very high | 43 Ų | 43 | 27.3 Ų | 27.3 | 16% | 0.163 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -126.8 | 149.2 | 175.1 | -72.3 | 114.5 | 0 | 0 | 0 | 109.5 | A27 R30 T92 T120 R122 C124 | A27-W94 HydrophobicContact CB-CH2 3.52Å; A27-W94 HydrophobicContact CB-CZ2 3.64Å; R30-W94 HydrophobicContact CB-CZ2 4.15Å; R30-W94 PolarHBondContact O-NE1 3.3Å; T92-W94 VanDerWaalsContact C-N 3.34Å; T92-W94 WeakPolarHBondContact CB-O 3.42Å; T92-W94 PolarHBondContact OG1-O 2.81Å; W94-T120 PolarHBondContact O-OG1 3.39Å; W94-R122 CarbonylContact C-O 3.57Å; W94-R122 WeakPolarHBondContact CA-O 3.45Å; W94-R122 HydrophobicContact CD2-CB 4.27Å; W94-R122 HydrophobicContact CE3-CB 3.49Å; W94-R122 VanDerWaalsContact CE3-CB 3.49Å; W94-R122 HydrophobicContact CE3-CG 4.5Å; W94-R122 HydrophobicContact CH2-CB 4.43Å; W94-R122 HydrophobicContact CZ3-CB 3.59Å; W94-R122 HydrophobicContact CZ3-CG 4.37Å; W94-C124 HydrophobicContact CE3-CB 4.19Å |
| 95 | S | 95.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 150.3 | 170.1 | 67.2 | 0 | 0 | 0 | 0 | 109.8 | T120 R122 C124 | S95-T120 WeakPolarHBondContact CA-OG1 3.47Å; S95-T120 PolarHBondContact N-OG1 3.43Å; S95-R122 PolarHBondContact N-O 3.44Å; S95-C124 WeakPolarHBondContact O-CB 3.34Å; S95-C124 PolarHBondContact OG-N 2.82Å |
| 96 | P | 94.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 145.9 | 178.1 | -26.4 | 35.2 | 0 | 0 | 0 | 112.5 | E68 C100 A101 L138 | E68-P96 HydrophobicContact CG-CB 4.35Å; E68-P96 HydrophobicContact CG-CG 4.27Å; E68-P96 WeakPolarHBondContact OE1-CA 3.28Å; P96-C100 HydrophobicContact CB-CB 4.29Å; P96-A101 HydrophobicContact CB-CB 4.28Å; P96-L138 HydrophobicContact CB-CD1 4.39Å; P96-L138 HydrophobicContact CG-CD1 4.14Å |
| 97 | C | 92.7 | Very high | 95.9 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 11% | 0.108 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 167.1 | 168 | 73.4 | 0 | 0 | 0 | 0 | 110.8 | H66 E99 C100 A101 Y131 | H66-C97 VanDerWaalsContact CE1-SG 3.51Å; H66-C97 PolarHBondContact ND1-SG 2.83Å; H66-C97 VanDerWaalsContact ND1-SG 3.36Å; C97-E99 VanDerWaalsContact C-N 3.34Å; C97-E99 PolarHBondContact O-N 3.04Å; C97-C100 PolarHBondContact O-N 3.46Å; C97-A101 VanDerWaalsContact O-CB 3.3Å; C97-A101 WeakPolarHBondContact O-CB 3.46Å; C97-A101 PolarHBondContact O-N 2.88Å; C97-Y131 HydrophobicContact CB-CE1 3.88Å |
| 98 | P | 92.6 | Very high | 95.9 | Very high | 38 Ų | 38 | 26 Ų | 26 | 25% | 0.247 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.4 | -45.5 | -176.3 | -25.2 | 33.8 | 0 | 0 | 0 | 113.2 | C100 A101 G102 D130 Y131 | P98-C100 PolarHBondContact O-N 2.77Å; P98-A101 PolarHBondContact O-N 2.84Å; P98-G102 PolarHBondContact O-N 2.82Å; P98-D130 HydrophobicContact CB-CB 4.33Å; P98-D130 HydrophobicContact CG-CB 3.82Å; P98-D130 WeakPolarHBondContact CG-O 3.14Å; P98-Y131 HydrophobicContact CG-CD1 4.39Å; P98-Y131 HydrophobicContact CG-CD2 3.9Å; P98-Y131 HydrophobicContact CG-CE2 4.12Å; P98-Y131 HydrophobicContact CG-CG 4.06Å |
| 99 | E | 92.1 | Very high | 95.8 | Very high | 145 Ų | 145 | 28.9 Ų | 28.9 | 68% | 0.678 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -61.3 | -47.7 | 178.9 | -63.5 | 175.6 | -179.9 | 0 | 0 | 112.1 | C97 A101 G102 E103 | C97-E99 VanDerWaalsContact C-N 3.34Å; C97-E99 PolarHBondContact O-N 3.04Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.29Å; E99-G102 PolarHBondContact O-N 2.85Å; E99-E103 PolarHBondContact O-N 3.22Å |
| 100 | C | 93.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.3 | -35.5 | 178.5 | -69.5 | 0 | 0 | 0 | 0 | 112 | H66 E68 P96 C97 P98 G102 E103 V104 | H66-C100 VanDerWaalsContact CB-SG 3.57Å; H66-C100 PolarHBondContact ND1-SG 2.99Å; E68-C100 HydrophobicContact CB-CB 4.04Å; E68-C100 HydrophobicContact CG-CB 4.23Å; P96-C100 HydrophobicContact CB-CB 4.29Å; C97-C100 PolarHBondContact O-N 3.46Å; P98-C100 PolarHBondContact O-N 2.77Å; C100-G102 VanDerWaalsContact C-N 3.33Å; C100-E103 PolarHBondContact O-N 2.98Å; C100-V104 WeakPolarHBondContact O-CB 3.43Å; C100-V104 WeakPolarHBondContact O-CG2 3.39Å; C100-V104 PolarHBondContact O-N 2.8Å |
| 101 | A | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | P96 C97 P98 E99 V104 A105 G134 L138 | P96-A101 HydrophobicContact CB-CB 4.28Å; C97-A101 VanDerWaalsContact O-CB 3.3Å; C97-A101 WeakPolarHBondContact O-CB 3.46Å; C97-A101 PolarHBondContact O-N 2.88Å; P98-A101 PolarHBondContact O-N 2.84Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.29Å; A101-V104 PolarHBondContact O-N 2.79Å; A101-A105 WeakPolarHBondContact O-CB 3.49Å; A101-A105 PolarHBondContact O-N 2.87Å; A101-G134 WeakPolarHBondContact CB-O 3.14Å; A101-L138 HydrophobicContact CB-CD1 3.72Å; A101-L138 HydrophobicContact CB-CG 3.9Å; A101-L138 WeakPolarHBondContact O-CD2 3.32Å |
| 102 | G | 95.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P98 E99 C100 V104 A105 E106 | P98-G102 PolarHBondContact O-N 2.82Å; E99-G102 PolarHBondContact O-N 2.85Å; C100-G102 VanDerWaalsContact C-N 3.33Å; G102-V104 VanDerWaalsContact C-N 3.32Å; G102-V104 PolarHBondContact O-N 2.83Å; G102-A105 PolarHBondContact O-N 2.88Å; G102-E106 PolarHBondContact O-N 2.86Å |
| 103 | E | 95.5 | Very high | 94.9 | Very high | 66 Ų | 66 | 44.7 Ų | 44.7 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 178.3 | -72.8 | -171.5 | -176.8 | 0 | 0 | 112.4 | R69 L72 E99 C100 F107 | R69-E103 WeakPolarHBondContact CG-OE2 3.46Å; R69-E103 IonicContact CZ-OE1 2.86Å; R69-E103 IonicContact CZ-OE2 3.73Å; R69-E103 VanDerWaalsContact NE-CD 3.34Å; R69-E103 IonicContact NE-OE1 2.75Å; R69-E103 PolarHBondContact NE-OE1 2.75Å; R69-E103 IonicContact NE-OE2 3.77Å; R69-E103 PolarHBondContact NE-OE2 2.98Å; R69-E103 IonicContact NH2-OE1 3.14Å; R69-E103 PolarHBondContact NH2-OE1 3.3Å; R69-E103 IonicContact NH2-OE2 3.73Å; L72-E103 HydrophobicContact CD1-CB 4.32Å; E99-E103 PolarHBondContact O-N 3.22Å; C100-E103 PolarHBondContact O-N 2.98Å; E103-F107 WeakPolarHBondContact O-CB 3.35Å; E103-F107 PolarHBondContact O-N 3.01Å |
| 104 | V | 97.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -38.5 | 177 | 173 | 0 | 0 | 0 | 0 | 111.4 | L72 W90 C100 A101 G102 F107 L108 L116 L138 | L72-V104 HydrophobicContact CD1-CG2 3.78Å; L72-V104 HydrophobicContact CD2-CG2 4.48Å; L72-V104 HydrophobicContact CG-CG2 4.28Å; W90-V104 HydrophobicContact CH2-CG1 4.29Å; W90-V104 HydrophobicContact CH2-CG2 3.62Å; W90-V104 HydrophobicContact CZ3-CG2 4.02Å; C100-V104 WeakPolarHBondContact O-CB 3.43Å; C100-V104 WeakPolarHBondContact O-CG2 3.39Å; C100-V104 PolarHBondContact O-N 2.8Å; A101-V104 PolarHBondContact O-N 2.79Å; G102-V104 VanDerWaalsContact C-N 3.32Å; G102-V104 PolarHBondContact O-N 2.83Å; V104-F107 WeakPolarHBondContact O-CB 3.37Å; V104-F107 PolarHBondContact O-N 3.11Å; V104-L108 HydrophobicContact CG1-CD1 4.28Å; V104-L108 WeakPolarHBondContact O-CG 3.49Å; V104-L108 PolarHBondContact O-N 2.76Å; V104-L116 HydrophobicContact CG1-CD2 3.57Å; V104-L138 HydrophobicContact CB-CD2 3.69Å; V104-L138 HydrophobicContact CG1-CD2 3.48Å; V104-L138 VanDerWaalsContact CG1-CD2 3.48Å |
| 105 | A | 96.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A101 G102 F107 L108 A109 L138 E141 | A101-A105 WeakPolarHBondContact O-CB 3.49Å; A101-A105 PolarHBondContact O-N 2.87Å; G102-A105 PolarHBondContact O-N 2.88Å; A105-F107 VanDerWaalsContact C-N 3.27Å; A105-F107 PolarHBondContact O-N 3.09Å; A105-L108 PolarHBondContact O-N 3.12Å; A105-A109 PolarHBondContact O-N 3.44Å; A105-L138 HydrophobicContact CB-CD2 4.38Å; A105-E141 HydrophobicContact CB-CB 4.22Å; A105-E141 HydrophobicContact CB-CG 3.81Å |
| 106 | E | 96.8 | Very high | 95.1 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 51% | 0.505 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 173.9 | -75.1 | -171.4 | -160.3 | 0 | 0 | 112.4 | G102 A109 R110 | G102-E106 PolarHBondContact O-N 2.86Å; E106-A109 PolarHBondContact O-N 3Å; E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.29Å; E106-R110 IonicContact OE2-CZ 2.86Å; E106-R110 IonicContact OE2-NH2 3.04Å; E106-R110 PolarHBondContact OE2-NH2 3.27Å |
| 107 | F | 96.5 | Very high | 95.3 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.8 | 172.3 | -89.4 | 0 | 0 | 0 | 111.6 | L72 F75 C76 L80 E103 V104 A105 R110 H111 V114 | L72-F107 HydrophobicContact CD1-CB 4.39Å; L72-F107 HydrophobicContact CD2-CB 4.18Å; L72-F107 HydrophobicContact CD2-CD1 3.89Å; L72-F107 HydrophobicContact CD2-CD2 4.04Å; L72-F107 HydrophobicContact CD2-CE1 4.41Å; L72-F107 HydrophobicContact CD2-CG 3.73Å; F75-F107 HydrophobicContact CD1-CE1 4.26Å; F75-F107 HydrophobicContact CD1-CE2 4.22Å; F75-F107 AromaticContact CD1-CZ 3.6Å; F75-F107 HydrophobicContact CD1-CZ 3.6Å; F75-F107 HydrophobicContact CE1-CE1 4.09Å; F75-F107 AromaticContact CE1-CZ 3.54Å; F75-F107 HydrophobicContact CE1-CZ 3.54Å; C76-F107 VanDerWaalsContact SG-CE2 3.54Å; L80-F107 HydrophobicContact CD2-CE2 4.41Å; E103-F107 WeakPolarHBondContact O-CB 3.35Å; E103-F107 PolarHBondContact O-N 3.01Å; V104-F107 WeakPolarHBondContact O-CB 3.37Å; V104-F107 PolarHBondContact O-N 3.11Å; A105-F107 VanDerWaalsContact C-N 3.27Å; A105-F107 PolarHBondContact O-N 3.09Å; F107-R110 PolarHBondContact O-N 3.14Å; F107-H111 AromaticContact CD2-CE1 3.58Å; F107-H111 AromaticContact CD2-ND1 3.31Å; F107-H111 VanDerWaalsContact CD2-ND1 3.31Å; F107-H111 WeakPolarHBondContact CD2-ND1 3.44Å; F107-H111 HydrophobicContact CE1-CB 4.39Å; F107-H111 AromaticContact CE2-CE1 3.38Å; F107-H111 WeakPolarHBondContact CE2-CE1 3.13Å; F107-H111 AromaticContact CE2-CG 3.95Å; F107-H111 AromaticContact CE2-ND1 3.1Å; F107-H111 WeakPolarHBondContact CE2-ND1 3.23Å; F107-H111 AromaticContact CG-ND1 3.85Å; F107-H111 HydrophobicContact CZ-CB 4.18Å; F107-H111 AromaticContact CZ-CG 3.94Å; F107-H111 AromaticContact CZ-ND1 3.47Å; F107-H111 WeakPolarHBondContact CZ-ND1 3.42Å; F107-H111 PolarHBondContact O-N 3.12Å; F107-H111 VanDerWaalsContact O-N 3.15Å; F107-H111 PolarHBondContact O-ND1 3.19Å; F107-V114 HydrophobicContact CE1-CB 4.24Å; F107-V114 HydrophobicContact CE1-CG1 4.09Å; F107-V114 HydrophobicContact CE1-CG2 4.16Å; F107-V114 HydrophobicContact CZ-CG2 4.18Å |
| 108 | L | 96.4 | Very high | 95.5 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 179.5 | -68.8 | 173 | 0 | 0 | 0 | 111.9 | V104 A105 R110 H111 V114 L116 E141 A143 | V104-L108 HydrophobicContact CG1-CD1 4.28Å; V104-L108 WeakPolarHBondContact O-CG 3.49Å; V104-L108 PolarHBondContact O-N 2.76Å; A105-L108 PolarHBondContact O-N 3.12Å; L108-R110 PolarHBondContact O-N 3.04Å; L108-H111 CarbonylContact O-C 3.48Å; L108-H111 PolarHBondContact O-N 3.05Å; L108-H111 VanDerWaalsContact O-N 3.12Å; L108-V114 HydrophobicContact CD2-CB 4.45Å; L108-V114 HydrophobicContact CD2-CG1 4.28Å; L108-L116 HydrophobicContact CD1-CB 4.24Å; L108-L116 HydrophobicContact CD1-CD2 4.19Å; L108-L116 HydrophobicContact CD2-CB 3.93Å; L108-E141 HydrophobicContact CB-CB 4.47Å; L108-A143 HydrophobicContact CD1-CB 3.71Å |
| 109 | A | 95.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 52% | 0.521 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.1 | -34.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A105 E106 | A105-A109 PolarHBondContact O-N 3.44Å; E106-A109 PolarHBondContact O-N 3Å |
| 110 | R | 94.8 | Very high | 96.1 | Very high | 176 Ų | 176 | 39.7 Ų | 39.7 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -81.7 | -21.7 | 177.8 | -68.4 | 178.3 | -168.8 | 147.5 | 16.2 | 113.7 | E106 F107 L108 | E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.29Å; E106-R110 IonicContact OE2-CZ 2.86Å; E106-R110 IonicContact OE2-NH2 3.04Å; E106-R110 PolarHBondContact OE2-NH2 3.27Å; F107-R110 PolarHBondContact O-N 3.14Å; L108-R110 PolarHBondContact O-N 3.04Å |
| 111 | H | 94.3 | Very high | 96.3 | Very high | 48 Ų | 48 | 39.6 Ų | 39.6 | 22% | 0.222 | 22% | 0.217 | C | C | . | . | trans | -129.2 | 75.3 | -170.6 | -54.2 | 106.2 | 0 | 0 | 0 | 111.9 | F107 L108 N113 V114 | F107-H111 AromaticContact CD2-CE1 3.58Å; F107-H111 AromaticContact CD2-ND1 3.31Å; F107-H111 VanDerWaalsContact CD2-ND1 3.31Å; F107-H111 WeakPolarHBondContact CD2-ND1 3.44Å; F107-H111 HydrophobicContact CE1-CB 4.39Å; F107-H111 AromaticContact CE2-CE1 3.38Å; F107-H111 WeakPolarHBondContact CE2-CE1 3.13Å; F107-H111 AromaticContact CE2-CG 3.95Å; F107-H111 AromaticContact CE2-ND1 3.1Å; F107-H111 WeakPolarHBondContact CE2-ND1 3.23Å; F107-H111 AromaticContact CG-ND1 3.85Å; F107-H111 HydrophobicContact CZ-CB 4.18Å; F107-H111 AromaticContact CZ-CG 3.94Å; F107-H111 AromaticContact CZ-ND1 3.47Å; F107-H111 WeakPolarHBondContact CZ-ND1 3.42Å; F107-H111 PolarHBondContact O-N 3.12Å; F107-H111 VanDerWaalsContact O-N 3.15Å; F107-H111 PolarHBondContact O-ND1 3.19Å; L108-H111 CarbonylContact O-C 3.48Å; L108-H111 PolarHBondContact O-N 3.05Å; L108-H111 VanDerWaalsContact O-N 3.12Å; H111-N113 PolarHBondContact O-N 3.37Å; H111-V114 HydrophobicContact CB-CB 4.5Å; H111-V114 HydrophobicContact CB-CG2 3.94Å; H111-V114 PolarHBondContact O-N 2.97Å | ||
| 112 | S | 92 | Very high | 96.3 | Very high | 122 Ų | 122 | 39.7 Ų | 39.7 | 85% | 0.853 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -10.5 | 179.4 | 66 | 0 | 0 | 0 | 0 | 114.6 | V114 | S112-V114 VanDerWaalsContact C-N 3.28Š|
| 113 | N | 93.1 | Very high | 96.3 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2.9 | 174.7 | 64.7 | -53 | 0 | 0 | 0 | 113.3 | T84 N85 Y86 H111 | T84-N113 WeakPolarHBondContact O-CB 3.17Å; T84-N113 PolarHBondContact O-ND2 3.04Å; N85-N113 WeakPolarHBondContact CA-O 3.3Å; Y86-N113 PolarHBondContact N-O 3.23Å; H111-N113 PolarHBondContact O-N 3.37Å |
| 114 | V | 95.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118.9 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | F75 L80 Y86 V88 F107 L108 H111 S112 | F75-V114 HydrophobicContact CE1-CG1 4.25Å; F75-V114 HydrophobicContact CE1-CG2 3.94Å; F75-V114 HydrophobicContact CZ-CG2 4.2Å; L80-V114 HydrophobicContact CD1-CG2 4.26Å; Y86-V114 HydrophobicContact CD2-CG2 4Å; Y86-V114 HydrophobicContact CG-CG2 4.4Å; V88-V114 HydrophobicContact CG2-CG1 4.03Å; F107-V114 HydrophobicContact CE1-CB 4.24Å; F107-V114 HydrophobicContact CE1-CG1 4.09Å; F107-V114 HydrophobicContact CE1-CG2 4.16Å; F107-V114 HydrophobicContact CZ-CG2 4.18Å; L108-V114 HydrophobicContact CD2-CB 4.45Å; L108-V114 HydrophobicContact CD2-CG1 4.28Å; H111-V114 HydrophobicContact CB-CB 4.5Å; H111-V114 HydrophobicContact CB-CG2 3.94Å; H111-V114 PolarHBondContact O-N 2.97Å; S112-V114 VanDerWaalsContact C-N 3.28Å |
| 115 | N | 96.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 35% | 0.348 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129.2 | 169.5 | -175.3 | 17.4 | 0 | 0 | 0 | 109.3 | Y86 E87 V88 | Y86-N115 PolarHBondContact O-N 3.47Å; E87-N115 PolarHBondContact OE1-ND2 2.89Å; E87-N115 WeakPolarHBondContact OE2-CB 3.38Å; E87-N115 PolarHBondContact OE2-ND2 3.02Å; V88-N115 PolarHBondContact N-O 2.67Å |
| 116 | L | 98.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.9 | -176.3 | -179.8 | 61.9 | 0 | 0 | 0 | 111.3 | V88 W90 V104 L108 I118 A143 S144 | V88-L116 HydrophobicContact CB-CD1 3.93Å; V88-L116 HydrophobicContact CG1-CD1 3.71Å; V88-L116 WeakPolarHBondContact O-CA 3.4Å; W90-L116 HydrophobicContact CD2-CD1 3.9Å; W90-L116 HydrophobicContact CG-CD1 3.95Å; W90-L116 HydrophobicContact CH2-CD2 4.36Å; W90-L116 HydrophobicContact CZ2-CD1 4.39Å; W90-L116 HydrophobicContact CZ2-CD2 4.36Å; W90-L116 HydrophobicContact CZ3-CD2 4.42Å; V104-L116 HydrophobicContact CG1-CD2 3.57Å; L108-L116 HydrophobicContact CD1-CB 4.24Å; L108-L116 HydrophobicContact CD1-CD2 4.19Å; L108-L116 HydrophobicContact CD2-CB 3.93Å; L116-I118 HydrophobicContact CD1-CG1 4.27Å; L116-I118 HydrophobicContact CD2-CD1 3.91Å; L116-I118 HydrophobicContact CD2-CG1 3.98Å; L116-I118 HydrophobicContact CG-CD1 4.34Å; L116-I118 HydrophobicContact CG-CG1 3.86Å; L116-A143 CarbonylContact O-C 3.53Å; L116-A143 WeakPolarHBondContact O-CA 3.32Å; L116-S144 PolarHBondContact O-N 2.72Å |
| 117 | T | 98.5 | Very high | 94.3 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 14% | 0.135 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.5 | 166.5 | -62.5 | 0 | 0 | 0 | 0 | 110 | V88 T89 W90 F119 S144 K146 | V88-T117 PolarHBondContact O-N 3.31Å; T89-T117 CarbonylContact C-O 3.59Å; T89-T117 VanDerWaalsContact CA-O 3.28Å; T89-T117 WeakPolarHBondContact CA-O 3.44Å; W90-T117 PolarHBondContact N-O 3.39Å; T117-F119 HydrophobicContact CG2-CD2 3.88Å; T117-F119 HydrophobicContact CG2-CE2 3.35Å; T117-F119 HydrophobicContact CG2-CZ 3.84Å; T117-S144 CarbonylContact C-O 3.59Å; T117-S144 WeakPolarHBondContact CA-O 3.49Å; T117-K146 HydrophobicContact CG2-CD 4.38Å |
| 118 | I | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.3 | 178.8 | -53 | 177.6 | 0 | 0 | 0 | 108.8 | W90 T92 L116 L138 S144 V145 K146 | W90-I118 HydrophobicContact CB-CG2 4.44Å; W90-I118 HydrophobicContact CE3-CD1 4.03Å; W90-I118 HydrophobicContact CE3-CG1 4.06Å; W90-I118 HydrophobicContact CZ3-CD1 4.29Å; T92-I118 HydrophobicContact CG2-CG2 4.3Å; L116-I118 HydrophobicContact CD1-CG1 4.27Å; L116-I118 HydrophobicContact CD2-CD1 3.91Å; L116-I118 HydrophobicContact CD2-CG1 3.98Å; L116-I118 HydrophobicContact CG-CD1 4.34Å; L116-I118 HydrophobicContact CG-CG1 3.86Å; I118-L138 HydrophobicContact CD1-CD1 4.22Å; I118-S144 PolarHBondContact N-O 2.74Å; I118-V145 CarbonylContact O-C 3.6Å; I118-K146 PolarHBondContact O-N 2.93Å |
| 119 | F | 98.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.2 | 165.7 | -64.9 | -88.8 | 0 | 0 | 0 | 109.4 | T89 W90 Y91 T92 T117 K146 M148 | T89-F119 HydrophobicContact CG2-CD2 3.61Å; T89-F119 HydrophobicContact CG2-CE2 3.66Å; W90-F119 PolarHBondContact O-N 3.02Å; Y91-F119 CarbonylContact C-O 3.56Å; Y91-F119 VanDerWaalsContact CA-O 3.23Å; Y91-F119 WeakPolarHBondContact CA-O 3.41Å; Y91-F119 HydrophobicContact CD1-CB 3.79Å; Y91-F119 HydrophobicContact CD1-CD2 4.13Å; Y91-F119 HydrophobicContact CD1-CG 4.22Å; Y91-F119 HydrophobicContact CE1-CB 4.25Å; Y91-F119 AromaticContact CE1-CD2 3.82Å; Y91-F119 HydrophobicContact CE1-CD2 3.82Å; Y91-F119 HydrophobicContact CE1-CE2 4.43Å; Y91-F119 HydrophobicContact CE1-CG 4.16Å; T92-F119 PolarHBondContact N-O 2.79Å; T117-F119 HydrophobicContact CG2-CD2 3.88Å; T117-F119 HydrophobicContact CG2-CE2 3.35Å; T117-F119 HydrophobicContact CG2-CZ 3.84Å; F119-K146 CarbonylContact C-O 3.47Å; F119-K146 WeakPolarHBondContact CA-O 3.35Å; F119-K146 HydrophobicContact CD1-CB 3.7Å; F119-K146 HydrophobicContact CD1-CD 4.27Å; F119-K146 HydrophobicContact CE1-CB 3.9Å; F119-K146 HydrophobicContact CE1-CD 3.59Å; F119-K146 HydrophobicContact CE1-CG 4.38Å; F119-K146 HydrophobicContact CG-CB 4.47Å; F119-K146 HydrophobicContact CZ-CD 3.93Å; F119-M148 HydrophobicContact CB-CG 3.63Å |
| 120 | T | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.1 | 178 | -168.3 | 0 | 0 | 0 | 0 | 112.6 | T92 W94 S95 R122 L123 K146 I147 M148 | T92-T120 CarbonylContact O-C 3.5Å; T92-T120 WeakPolarHBondContact O-CA 3.43Å; T92-T120 VanDerWaalsContact OG1-CB 3.31Å; T92-T120 WeakPolarHBondContact OG1-CB 3.38Å; T92-T120 PolarHBondContact OG1-OG1 3.21Å; T92-T120 VanDerWaalsContact OG1-OG1 3.05Å; W94-T120 PolarHBondContact O-OG1 3.39Å; S95-T120 WeakPolarHBondContact CA-OG1 3.47Å; S95-T120 PolarHBondContact N-OG1 3.43Å; T120-R122 PolarHBondContact OG1-O 2.74Å; T120-L123 HydrophobicContact CG2-CD2 4.15Å; T120-K146 PolarHBondContact N-O 2.66Å; T120-I147 HydrophobicContact CG2-CD1 3.68Å; T120-I147 CarbonylContact O-C 3.57Å; T120-I147 WeakPolarHBondContact O-CA 3.28Å; T120-M148 PolarHBondContact O-N 2.79Å |
| 121 | A | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -72.9 | -30.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F21 N23 T92 M148 F153 L181 | F21-A121 HydrophobicContact CD1-CB 4.22Å; N23-A121 WeakPolarHBondContact CB-O 3.33Å; T92-A121 PolarHBondContact O-N 2.94Å; A121-M148 HydrophobicContact CB-SD 3.87Å; A121-F153 HydrophobicContact CB-CE1 4Å; A121-F153 HydrophobicContact CB-CZ 4.05Å; A121-L181 WeakPolarHBondContact O-CD1 3.33Å |
| 122 | R | 96.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -148.3 | 146.7 | -177.6 | -65.7 | -179.4 | -62.8 | -73.9 | -7.2 | 110.8 | H20 K22 L24 S93 W94 S95 T120 | H20-R122 PolarHBondContact O-NH1 3.33Å; H20-R122 PolarHBondContact O-NH2 2.86Å; K22-R122 WeakPolarHBondContact O-CD 3.48Å; K22-R122 PolarHBondContact O-NH1 2.99Å; L24-R122 WeakPolarHBondContact O-CD 3.4Å; S93-R122 PolarHBondContact O-N 3.25Å; S93-R122 PolarHBondContact O-NE 2.81Å; S93-R122 PolarHBondContact O-NH2 3.43Å; W94-R122 CarbonylContact C-O 3.57Å; W94-R122 WeakPolarHBondContact CA-O 3.45Å; W94-R122 HydrophobicContact CD2-CB 4.27Å; W94-R122 HydrophobicContact CE3-CB 3.49Å; W94-R122 VanDerWaalsContact CE3-CB 3.49Å; W94-R122 HydrophobicContact CE3-CG 4.5Å; W94-R122 HydrophobicContact CH2-CB 4.43Å; W94-R122 HydrophobicContact CZ3-CB 3.59Å; W94-R122 HydrophobicContact CZ3-CG 4.37Å; S95-R122 PolarHBondContact N-O 3.44Å; T120-R122 PolarHBondContact OG1-O 2.74Å |
| 123 | L | 94.3 | Very high | 94 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | -84.2 | 125 | 170.1 | -59.6 | 170.7 | 0 | 0 | 0 | 109.9 | T120 F126 L135 I147 L181 R184 L185 I188 | T120-L123 HydrophobicContact CG2-CD2 4.15Å; L123-F126 HydrophobicContact CB-CB 3.7Å; L123-F126 HydrophobicContact CB-CD1 4.13Å; L123-F126 HydrophobicContact CB-CG 4.29Å; L123-F126 HydrophobicContact CD1-CB 4.08Å; L123-F126 HydrophobicContact CD1-CG 4.49Å; L123-L135 HydrophobicContact CD2-CD1 4.03Å; L123-I147 HydrophobicContact CD1-CD1 4.46Å; L123-I147 HydrophobicContact CD2-CD1 3.81Å; L123-I147 HydrophobicContact CG-CD1 3.99Å; L123-L181 HydrophobicContact CB-CD2 4.48Å; L123-L181 HydrophobicContact CD1-CD2 4.3Å; L123-L181 HydrophobicContact CG-CD2 4.22Å; L123-R184 HydrophobicContact CD1-CB 3.96Å; L123-L185 HydrophobicContact CD1-CB 4.32Å; L123-L185 HydrophobicContact CD2-CD1 4.07Å; L123-I188 HydrophobicContact CD1-CD1 4.24Å | ||
| 124 | C | 86.8 | Confident | 94 | Very high | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.142 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -75.5 | 127.8 | 173.8 | -156.6 | 0 | 0 | 0 | 0 | 108.8 | W94 S95 F126 Y131 | W94-C124 HydrophobicContact CE3-CB 4.19Å; S95-C124 WeakPolarHBondContact O-CB 3.34Å; S95-C124 PolarHBondContact OG-N 2.82Å; C124-F126 PolarHBondContact O-N 2.97Å; C124-Y131 HydrophobicContact CB-CD1 3.97Å; C124-Y131 HydrophobicContact CB-CE1 3.85Å; C124-Y131 WeakPolarHBondContact O-CD1 3.28Å |
| 125 | Y | 84.8 | Confident | 94 | Very high | 122 Ų | 122 | 45.4 Ų | 45.4 | 48% | 0.478 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 38.8 | 45.8 | 175.8 | -61.2 | -78.6 | 0 | 0 | 0 | 115.1 | W127 D128 Y131 | Y125-W127 AromaticContact CD1-CE2 3.85Å; Y125-W127 AromaticContact CD1-CH2 3.8Å; Y125-W127 HydrophobicContact CD1-CH2 3.8Å; Y125-W127 AromaticContact CD1-CZ2 3.25Å; Y125-W127 HydrophobicContact CD1-CZ2 3.25Å; Y125-W127 HydrophobicContact CE1-CH2 4.29Å; Y125-W127 AromaticContact CE1-CZ2 3.83Å; Y125-W127 HydrophobicContact CE1-CZ2 3.83Å; Y125-W127 HydrophobicContact CG-CZ2 4.24Å; Y125-W127 PolarHBondContact O-N 3.05Å; Y125-D128 WeakPolarHBondContact O-CB 3.49Å; Y125-D128 PolarHBondContact O-N 3.46Å; Y125-Y131 AromaticContact CD2-CE1 3.89Å; Y125-Y131 HydrophobicContact CD2-CE1 3.89Å; Y125-Y131 HydrophobicContact CD2-CE2 4.02Å; Y125-Y131 AromaticContact CD2-CZ 3.54Å; Y125-Y131 WeakPolarHBondContact CD2-OH 3.45Å; Y125-Y131 HydrophobicContact CG-CE2 4.21Å |
| 126 | F | 84.9 | Confident | 94 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -6.3 | -171.5 | 68.4 | -95.7 | 0 | 0 | 0 | 115.9 | L123 C124 Q132 R184 I188 | L123-F126 HydrophobicContact CB-CB 3.7Å; L123-F126 HydrophobicContact CB-CD1 4.13Å; L123-F126 HydrophobicContact CB-CG 4.29Å; L123-F126 HydrophobicContact CD1-CB 4.08Å; L123-F126 HydrophobicContact CD1-CG 4.49Å; C124-F126 PolarHBondContact O-N 2.97Å; F126-Q132 PolarHBondContact O-NE2 2.82Å; F126-R184 HydrophobicContact CE2-CG 4.47Å; F126-I188 HydrophobicContact CB-CD1 4.12Å |
| 127 | W | 87.6 | Confident | 93.8 | Very high | 167 Ų | 167 | 45.6 Ų | 45.6 | 63% | 0.633 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -13.9 | 172.9 | 56.6 | 82.2 | 0 | 0 | 0 | 112.8 | Y125 | Y125-W127 AromaticContact CD1-CE2 3.85Å; Y125-W127 AromaticContact CD1-CH2 3.8Å; Y125-W127 HydrophobicContact CD1-CH2 3.8Å; Y125-W127 AromaticContact CD1-CZ2 3.25Å; Y125-W127 HydrophobicContact CD1-CZ2 3.25Å; Y125-W127 HydrophobicContact CE1-CH2 4.29Å; Y125-W127 AromaticContact CE1-CZ2 3.83Å; Y125-W127 HydrophobicContact CE1-CZ2 3.83Å; Y125-W127 HydrophobicContact CG-CZ2 4.24Å; Y125-W127 PolarHBondContact O-N 3.05Å |
| 128 | D | 92.3 | Very high | 93.7 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -86.6 | 136.1 | 179.3 | -168.3 | -60.5 | 0 | 0 | 0 | 109.6 | Y125 D130 Y131 Q132 | Y125-D128 WeakPolarHBondContact O-CB 3.49Å; Y125-D128 PolarHBondContact O-N 3.46Å; D128-D130 PolarHBondContact OD1-N 3.4Å; D128-Y131 HydrophobicContact CB-CD2 3.83Å; D128-Q132 VanDerWaalsContact O-CG 3.28Å; D128-Q132 WeakPolarHBondContact O-CG 3.36Å; D128-Q132 PolarHBondContact O-N 2.82Å; D128-Q132 PolarHBondContact O-NE2 2.74Å |
| 129 | T | 93.4 | Very high | 93.5 | Very high | 80 Ų | 80 | 47 Ų | 47 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.1 | -38.7 | -175.5 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | Y131 Q132 E133 | T129-Y131 VanDerWaalsContact C-N 3.27Å; T129-Y131 PolarHBondContact O-N 2.86Å; T129-Q132 WeakPolarHBondContact O-CB 3.3Å; T129-Q132 PolarHBondContact O-N 3.5Å; T129-E133 HydrophobicContact CG2-CG 4.21Å; T129-E133 WeakPolarHBondContact O-CG 3.45Å; T129-E133 PolarHBondContact O-N 3.21Å |
| 130 | D | 93.6 | Very high | 93.3 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | -176.4 | -62.8 | -13.6 | 0 | 0 | 0 | 110.6 | P98 D128 Q132 G134 | P98-D130 HydrophobicContact CB-CB 4.33Å; P98-D130 HydrophobicContact CG-CB 3.82Å; P98-D130 WeakPolarHBondContact CG-O 3.14Å; D128-D130 PolarHBondContact OD1-N 3.4Å; D130-Q132 VanDerWaalsContact C-N 3.34Å; D130-G134 PolarHBondContact O-N 2.88Å |
| 131 | Y | 93.8 | Very high | 93.2 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 18% | 0.18 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 175.1 | -79.2 | -98.4 | 0 | 0 | 0 | 112.2 | C97 P98 C124 Y125 D128 T129 L135 | C97-Y131 HydrophobicContact CB-CE1 3.88Å; P98-Y131 HydrophobicContact CG-CD1 4.39Å; P98-Y131 HydrophobicContact CG-CD2 3.9Å; P98-Y131 HydrophobicContact CG-CE2 4.12Å; P98-Y131 HydrophobicContact CG-CG 4.06Å; C124-Y131 HydrophobicContact CB-CD1 3.97Å; C124-Y131 HydrophobicContact CB-CE1 3.85Å; C124-Y131 WeakPolarHBondContact O-CD1 3.28Å; Y125-Y131 AromaticContact CD2-CE1 3.89Å; Y125-Y131 HydrophobicContact CD2-CE1 3.89Å; Y125-Y131 HydrophobicContact CD2-CE2 4.02Å; Y125-Y131 AromaticContact CD2-CZ 3.54Å; Y125-Y131 WeakPolarHBondContact CD2-OH 3.45Å; Y125-Y131 HydrophobicContact CG-CE2 4.21Å; D128-Y131 HydrophobicContact CB-CD2 3.83Å; T129-Y131 VanDerWaalsContact C-N 3.27Å; T129-Y131 PolarHBondContact O-N 2.86Å; Y131-L135 WeakPolarHBondContact O-CG 3.42Å; Y131-L135 PolarHBondContact O-N 2.82Å |
| 132 | Q | 95.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 27% | 0.266 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.2 | -48.7 | 176.1 | -69.6 | 171.4 | 64.6 | 0 | 0 | 110.4 | F126 D128 T129 D130 G134 L135 C136 I188 | F126-Q132 PolarHBondContact O-NE2 2.82Å; D128-Q132 VanDerWaalsContact O-CG 3.28Å; D128-Q132 WeakPolarHBondContact O-CG 3.36Å; D128-Q132 PolarHBondContact O-N 2.82Å; D128-Q132 PolarHBondContact O-NE2 2.74Å; T129-Q132 WeakPolarHBondContact O-CB 3.3Å; T129-Q132 PolarHBondContact O-N 3.5Å; D130-Q132 VanDerWaalsContact C-N 3.34Å; Q132-G134 VanDerWaalsContact C-N 3.35Å; Q132-G134 PolarHBondContact O-N 2.78Å; Q132-L135 PolarHBondContact O-N 2.92Å; Q132-L135 VanDerWaalsContact O-N 3.16Å; Q132-C136 PolarHBondContact O-N 2.83Å; Q132-C136 PolarHBondContact O-SG 2.93Å; Q132-C136 VanDerWaalsContact O-SG 3.37Å; Q132-I188 HydrophobicContact CB-CG2 3.8Å; Q132-I188 HydrophobicContact CG-CD1 3.97Å; Q132-I188 HydrophobicContact CG-CG1 3.86Å; Q132-I188 HydrophobicContact CG-CG2 3.98Å |
| 133 | E | 94.9 | Very high | 93 | Very high | 114 Ų | 114 | 59.7 Ų | 59.7 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 178.1 | -72.1 | -178.9 | -178.2 | 0 | 0 | 111.7 | T129 L135 C136 S137 | T129-E133 HydrophobicContact CG2-CG 4.21Å; T129-E133 WeakPolarHBondContact O-CG 3.45Å; T129-E133 PolarHBondContact O-N 3.21Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 2.89Å; E133-C136 WeakPolarHBondContact O-CA 3.22Å; E133-C136 WeakPolarHBondContact O-CB 3.28Å; E133-C136 PolarHBondContact O-N 2.96Å; E133-C136 VanDerWaalsContact O-N 3.07Å; E133-S137 PolarHBondContact O-N 2.85Å; E133-S137 PolarHBondContact O-OG 3.28Å |
| 134 | G | 94.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A101 D130 Q132 C136 S137 L138 | A101-G134 WeakPolarHBondContact CB-O 3.14Å; D130-G134 PolarHBondContact O-N 2.88Å; Q132-G134 VanDerWaalsContact C-N 3.35Å; Q132-G134 PolarHBondContact O-N 2.78Å; G134-C136 VanDerWaalsContact C-N 3.35Å; G134-S137 PolarHBondContact O-N 3.29Å; G134-L138 PolarHBondContact O-N 3.46Å; G134-L138 VanDerWaalsContact O-N 3.11Å |
| 135 | L | 95.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 175.9 | -64.1 | 177.2 | 0 | 0 | 0 | 112.4 | L123 Y131 Q132 E133 L138 S139 V145 L185 I188 L189 | L123-L135 HydrophobicContact CD2-CD1 4.03Å; Y131-L135 WeakPolarHBondContact O-CG 3.42Å; Y131-L135 PolarHBondContact O-N 2.82Å; Q132-L135 PolarHBondContact O-N 2.92Å; Q132-L135 VanDerWaalsContact O-N 3.16Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 2.89Å; L135-L138 HydrophobicContact CD2-CD1 4.34Å; L135-S139 PolarHBondContact O-N 3.14Å; L135-V145 HydrophobicContact CD2-CG1 4.43Å; L135-L185 HydrophobicContact CD1-CD1 4.24Å; L135-I188 HydrophobicContact CB-CG2 4.41Å; L135-L189 HydrophobicContact CB-CD2 4.27Å; L135-L189 WeakPolarHBondContact O-CD2 3.48Å |
| 136 | C | 95.6 | Very high | 94.3 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -46 | 174 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | Q132 E133 G134 L138 S139 Q140 I188 | Q132-C136 PolarHBondContact O-N 2.83Å; Q132-C136 PolarHBondContact O-SG 2.93Å; Q132-C136 VanDerWaalsContact O-SG 3.37Å; E133-C136 WeakPolarHBondContact O-CA 3.22Å; E133-C136 WeakPolarHBondContact O-CB 3.28Å; E133-C136 PolarHBondContact O-N 2.96Å; E133-C136 VanDerWaalsContact O-N 3.07Å; G134-C136 VanDerWaalsContact C-N 3.35Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 3.37Å; C136-S139 WeakPolarHBondContact O-CB 3.45Å; C136-S139 PolarHBondContact O-N 3.42Å; C136-S139 VanDerWaalsContact O-N 3.08Å; C136-Q140 WeakPolarHBondContact O-CG 3.29Å; C136-Q140 PolarHBondContact O-N 3.27Å; C136-I188 PolarHBondContact SG-O 3.13Å |
| 137 | S | 94.7 | Very high | 94.9 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 112 | E133 G134 S139 Q140 E141 | E133-S137 PolarHBondContact O-N 2.85Å; E133-S137 PolarHBondContact O-OG 3.28Å; G134-S137 PolarHBondContact O-N 3.29Å; S137-S139 VanDerWaalsContact C-N 3.31Å; S137-S139 PolarHBondContact O-N 3.02Å; S137-Q140 PolarHBondContact O-N 2.76Å; S137-E141 PolarHBondContact O-N 3.3Å |
| 138 | L | 95.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.4 | -45.9 | 173.1 | -77.4 | 172.8 | 0 | 0 | 0 | 112.3 | P96 A101 V104 A105 I118 G134 L135 C136 Q140 E141 G142 A143 V145 | P96-L138 HydrophobicContact CB-CD1 4.39Å; P96-L138 HydrophobicContact CG-CD1 4.14Å; A101-L138 HydrophobicContact CB-CD1 3.72Å; A101-L138 HydrophobicContact CB-CG 3.9Å; A101-L138 WeakPolarHBondContact O-CD2 3.32Å; V104-L138 HydrophobicContact CB-CD2 3.69Å; V104-L138 HydrophobicContact CG1-CD2 3.48Å; V104-L138 VanDerWaalsContact CG1-CD2 3.48Å; A105-L138 HydrophobicContact CB-CD2 4.38Å; I118-L138 HydrophobicContact CD1-CD1 4.22Å; G134-L138 PolarHBondContact O-N 3.46Å; G134-L138 VanDerWaalsContact O-N 3.11Å; L135-L138 HydrophobicContact CD2-CD1 4.34Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 3.37Å; L138-Q140 VanDerWaalsContact C-N 3.32Å; L138-Q140 PolarHBondContact O-N 3.29Å; L138-E141 PolarHBondContact O-N 2.97Å; L138-G142 PolarHBondContact O-N 3.45Å; L138-A143 HydrophobicContact CB-CB 4.25Å; L138-A143 WeakPolarHBondContact O-CB 3.4Å; L138-A143 PolarHBondContact O-N 3.43Å; L138-V145 HydrophobicContact CB-CG2 4.19Å |
| 139 | S | 94.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.7 | -33.4 | 179.8 | -170 | 0 | 0 | 0 | 0 | 112.6 | L135 C136 S137 G142 A143 | L135-S139 PolarHBondContact O-N 3.14Å; C136-S139 WeakPolarHBondContact O-CB 3.45Å; C136-S139 PolarHBondContact O-N 3.42Å; C136-S139 VanDerWaalsContact O-N 3.08Å; S137-S139 VanDerWaalsContact C-N 3.31Å; S137-S139 PolarHBondContact O-N 3.02Å; S139-G142 PolarHBondContact O-N 3.2Å; S139-A143 WeakPolarHBondContact CA-O 3.39Å |
| 140 | Q | 94.5 | Very high | 96 | Very high | 150 Ų | 150 | 48.6 Ų | 48.6 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -69.7 | -37.9 | 177.3 | -72.9 | 170.6 | -5.6 | 0 | 0 | 111.6 | C136 S137 L138 G142 | C136-Q140 WeakPolarHBondContact O-CG 3.29Å; C136-Q140 PolarHBondContact O-N 3.27Å; S137-Q140 PolarHBondContact O-N 2.76Å; L138-Q140 VanDerWaalsContact C-N 3.32Å; L138-Q140 PolarHBondContact O-N 3.29Å; Q140-G142 PolarHBondContact O-N 3Å |
| 141 | E | 95.6 | Very high | 96.2 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 16.4 | 174.3 | -62.9 | -55 | 148.7 | 0 | 0 | 113.6 | A105 L108 S137 L138 | A105-E141 HydrophobicContact CB-CB 4.22Å; A105-E141 HydrophobicContact CB-CG 3.81Å; L108-E141 HydrophobicContact CB-CB 4.47Å; S137-E141 PolarHBondContact O-N 3.3Å; L138-E141 PolarHBondContact O-N 2.97Å |
| 142 | G | 93.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 1.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L138 S139 Q140 | L138-G142 PolarHBondContact O-N 3.45Å; S139-G142 PolarHBondContact O-N 3.2Å; Q140-G142 PolarHBondContact O-N 3Å |
| 143 | A | 97 | Very high | 96.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | trans | -72.1 | 133.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L108 L116 L138 S139 V145 | L108-A143 HydrophobicContact CD1-CB 3.71Å; L116-A143 CarbonylContact O-C 3.53Å; L116-A143 WeakPolarHBondContact O-CA 3.32Å; L138-A143 HydrophobicContact CB-CB 4.25Å; L138-A143 WeakPolarHBondContact O-CB 3.4Å; L138-A143 PolarHBondContact O-N 3.43Å; S139-A143 WeakPolarHBondContact CA-O 3.39Å; A143-V145 PolarHBondContact O-N 2.87Å | ||
| 144 | S | 97.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 45 Ų | 45 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 98.7 | 174 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | L116 T117 I118 K146 | L116-S144 PolarHBondContact O-N 2.72Å; T117-S144 CarbonylContact C-O 3.59Å; T117-S144 WeakPolarHBondContact CA-O 3.49Å; I118-S144 PolarHBondContact N-O 2.74Å; S144-K146 WeakPolarHBondContact OG-CE 3.31Å; S144-K146 PolarHBondContact OG-NZ 2.81Å; S144-K146 VanDerWaalsContact OG-NZ 3.09Å |
| 145 | V | 97.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.1 | 179.4 | -170 | 0 | 0 | 0 | 0 | 111.4 | I118 L135 L138 A143 L185 L189 | I118-V145 CarbonylContact O-C 3.6Å; L135-V145 HydrophobicContact CD2-CG1 4.43Å; L138-V145 HydrophobicContact CB-CG2 4.19Å; A143-V145 PolarHBondContact O-N 2.87Å; V145-L185 HydrophobicContact CG1-CD1 4.17Å; V145-L185 HydrophobicContact CG1-CD2 4.21Å; V145-L189 HydrophobicContact CB-CD1 4.46Å |
| 146 | K | 98.3 | Very high | 96.9 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 156.5 | -174.5 | -67.6 | 171.3 | -177.6 | 148.3 | 0 | 111.3 | T117 I118 F119 T120 S144 | T117-K146 HydrophobicContact CG2-CD 4.38Å; I118-K146 PolarHBondContact O-N 2.93Å; F119-K146 CarbonylContact C-O 3.47Å; F119-K146 WeakPolarHBondContact CA-O 3.35Å; F119-K146 HydrophobicContact CD1-CB 3.7Å; F119-K146 HydrophobicContact CD1-CD 4.27Å; F119-K146 HydrophobicContact CE1-CB 3.9Å; F119-K146 HydrophobicContact CE1-CD 3.59Å; F119-K146 HydrophobicContact CE1-CG 4.38Å; F119-K146 HydrophobicContact CG-CB 4.47Å; F119-K146 HydrophobicContact CZ-CD 3.93Å; T120-K146 PolarHBondContact N-O 2.66Å; S144-K146 WeakPolarHBondContact OG-CE 3.31Å; S144-K146 PolarHBondContact OG-NZ 2.81Å; S144-K146 VanDerWaalsContact OG-NZ 3.09Å |
| 147 | I | 98.5 | Very high | 97 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 137.2 | 169 | -56.2 | -56.9 | 0 | 0 | 0 | 109.6 | T120 L123 G149 F178 L181 K182 L185 | T120-I147 HydrophobicContact CG2-CD1 3.68Å; T120-I147 CarbonylContact O-C 3.57Å; T120-I147 WeakPolarHBondContact O-CA 3.28Å; L123-I147 HydrophobicContact CD1-CD1 4.46Å; L123-I147 HydrophobicContact CD2-CD1 3.81Å; L123-I147 HydrophobicContact CG-CD1 3.99Å; I147-G149 PolarHBondContact O-N 2.81Å; I147-F178 HydrophobicContact CB-CD2 4.23Å; I147-F178 HydrophobicContact CB-CE2 4.28Å; I147-F178 HydrophobicContact CG2-CD2 3.8Å; I147-F178 HydrophobicContact CG2-CE2 4.34Å; I147-F178 WeakPolarHBondContact O-CE2 3.36Å; I147-L181 HydrophobicContact CD1-CB 4.13Å; I147-L181 HydrophobicContact CG1-CB 4Å; I147-L181 HydrophobicContact CG2-CB 3.79Å; I147-L181 HydrophobicContact CG2-CD1 4.3Å; I147-K182 HydrophobicContact CB-CB 4.46Å; I147-K182 HydrophobicContact CG1-CB 4.34Å; I147-L185 HydrophobicContact CD1-CB 4.11Å; I147-L185 HydrophobicContact CD1-CD2 3.83Å; I147-L185 HydrophobicContact CG1-CB 4.11Å; I147-L185 HydrophobicContact CG1-CD2 3.86Å |
| 148 | M | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -62.5 | 119.5 | 173.7 | -69.6 | 179.5 | 75.7 | 0 | 0 | 111.6 | F21 Y91 F119 T120 A121 D152 F153 C156 F178 | F21-M148 HydrophobicContact CD1-CE 4.16Å; F21-M148 HydrophobicContact CD1-SD 3.97Å; F21-M148 HydrophobicContact CE1-CE 4.47Å; F21-M148 HydrophobicContact CE1-SD 4.19Å; Y91-M148 HydrophobicContact CD1-CE 3.96Å; F119-M148 HydrophobicContact CB-CG 3.63Å; T120-M148 PolarHBondContact O-N 2.79Å; A121-M148 HydrophobicContact CB-SD 3.87Å; M148-D152 HydrophobicContact CB-CB 4.12Å; M148-D152 HydrophobicContact CE-CB 4.25Å; M148-D152 HydrophobicContact CG-CB 4.23Å; M148-F153 HydrophobicContact CB-CD2 4.38Å; M148-F153 HydrophobicContact CB-CE1 4.08Å; M148-F153 HydrophobicContact CB-CE2 3.8Å; M148-F153 HydrophobicContact CB-CZ 3.62Å; M148-F153 HydrophobicContact CE-CD1 3.57Å; M148-F153 HydrophobicContact CE-CE1 3.7Å; M148-F153 HydrophobicContact CE-CG 4.2Å; M148-F153 HydrophobicContact CE-CZ 4.42Å; M148-F153 WeakPolarHBondContact O-CE2 3.17Å; M148-F153 HydrophobicContact SD-CD1 4.41Å; M148-F153 HydrophobicContact SD-CE1 3.91Å; M148-F153 HydrophobicContact SD-CZ 4.35Å; M148-C156 HydrophobicContact CE-CB 4.31Å; M148-C156 WeakPolarHBondContact CE-SG 3.37Å; M148-F178 VanDerWaalsContact O-CD2 3.28Å; M148-F178 WeakPolarHBondContact O-CD2 3.31Å | ||
| 149 | G | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | trans | -91.3 | -177.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I147 K151 D152 F153 | I147-G149 PolarHBondContact O-N 2.81Å; G149-K151 VanDerWaalsContact C-N 3.34Å; G149-K151 PolarHBondContact O-N 2.8Å; G149-D152 PolarHBondContact N-OD2 2.76Å; G149-D152 PolarHBondContact O-N 2.85Å; G149-D152 VanDerWaalsContact O-N 3.12Å; G149-F153 WeakPolarHBondContact O-CD2 3.43Å; G149-F153 PolarHBondContact O-N 2.8Å; G149-F153 VanDerWaalsContact O-N 3.13Å | ||
| 150 | Y | 98.2 | Very high | 97.3 | Very high | 112 Ų | 112 | 50.2 Ų | 50.2 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.3 | -46.1 | -179.5 | 174.5 | -102.9 | 0 | 0 | 0 | 113.3 | D152 F153 V154 F168 P170 | Y150-D152 VanDerWaalsContact C-N 3.25Å; Y150-D152 PolarHBondContact O-N 2.85Å; Y150-F153 PolarHBondContact O-N 2.98Å; Y150-V154 HydrophobicContact CD1-CG2 4.29Å; Y150-V154 HydrophobicContact CD2-CG2 4.45Å; Y150-V154 HydrophobicContact CE1-CG2 3.82Å; Y150-V154 HydrophobicContact CE2-CG2 3.99Å; Y150-V154 WeakPolarHBondContact O-CG2 3.23Å; Y150-V154 PolarHBondContact O-N 2.84Å; Y150-F168 HydrophobicContact CD2-CE1 4.41Å; Y150-F168 HydrophobicContact CE2-CD1 4.22Å; Y150-F168 HydrophobicContact CE2-CE1 4.31Å; Y150-P170 HydrophobicContact CD2-CB 4.38Å; Y150-P170 HydrophobicContact CE2-CB 4.17Å; Y150-P170 HydrophobicContact CE2-CG 4.12Å |
| 151 | K | 98.1 | Very high | 97.5 | Very high | 172 Ų | 172 | 43.6 Ų | 43.6 | 75% | 0.748 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.2 | -34.2 | -179.5 | -68.4 | -174.4 | 177.8 | -177.6 | 0 | 112.1 | G149 V154 S155 | G149-K151 VanDerWaalsContact C-N 3.34Å; G149-K151 PolarHBondContact O-N 2.8Å; K151-V154 PolarHBondContact O-N 3.05Å; K151-S155 WeakPolarHBondContact O-CB 3.5Å; K151-S155 PolarHBondContact O-N 2.91Å |
| 152 | D | 98.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71 | -42.2 | 179.8 | -48.8 | -40.6 | 0 | 0 | 0 | 110.2 | Y91 M148 G149 Y150 V154 S155 C156 | Y91-D152 HydrophobicContact CD1-CB 4.46Å; Y91-D152 HydrophobicContact CE1-CB 4.15Å; M148-D152 HydrophobicContact CB-CB 4.12Å; M148-D152 HydrophobicContact CE-CB 4.25Å; M148-D152 HydrophobicContact CG-CB 4.23Å; G149-D152 PolarHBondContact N-OD2 2.76Å; G149-D152 PolarHBondContact O-N 2.85Å; G149-D152 VanDerWaalsContact O-N 3.12Å; Y150-D152 VanDerWaalsContact C-N 3.25Å; Y150-D152 PolarHBondContact O-N 2.85Å; D152-V154 VanDerWaalsContact C-N 3.34Å; D152-V154 PolarHBondContact O-N 3.11Å; D152-S155 WeakPolarHBondContact O-CB 3.39Å; D152-S155 PolarHBondContact O-N 2.8Å; D152-C156 PolarHBondContact O-N 2.89Å; D152-C156 PolarHBondContact O-SG 2.85Å; D152-C156 VanDerWaalsContact O-SG 3.42Å |
| 153 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 172.1 | -69.8 | -65.2 | 0 | 0 | 0 | 112.7 | F17 F21 N23 A121 M148 G149 Y150 C156 W157 F168 W171 L174 | F17-F153 HydrophobicContact CZ-CD1 4.05Å; F21-F153 HydrophobicContact CB-CD1 4.42Å; F21-F153 HydrophobicContact CB-CE1 4.09Å; F21-F153 HydrophobicContact CD1-CE1 4.45Å; F21-F153 VanDerWaalsContact O-CE1 3.31Å; F21-F153 WeakPolarHBondContact O-CE1 3.35Å; N23-F153 HydrophobicContact CB-CZ 4.08Å; A121-F153 HydrophobicContact CB-CE1 4Å; A121-F153 HydrophobicContact CB-CZ 4.05Å; M148-F153 HydrophobicContact CB-CD2 4.38Å; M148-F153 HydrophobicContact CB-CE1 4.08Å; M148-F153 HydrophobicContact CB-CE2 3.8Å; M148-F153 HydrophobicContact CB-CZ 3.62Å; M148-F153 HydrophobicContact CE-CD1 3.57Å; M148-F153 HydrophobicContact CE-CE1 3.7Å; M148-F153 HydrophobicContact CE-CG 4.2Å; M148-F153 HydrophobicContact CE-CZ 4.42Å; M148-F153 WeakPolarHBondContact O-CE2 3.17Å; M148-F153 HydrophobicContact SD-CD1 4.41Å; M148-F153 HydrophobicContact SD-CE1 3.91Å; M148-F153 HydrophobicContact SD-CZ 4.35Å; G149-F153 WeakPolarHBondContact O-CD2 3.43Å; G149-F153 PolarHBondContact O-N 2.8Å; G149-F153 VanDerWaalsContact O-N 3.13Å; Y150-F153 PolarHBondContact O-N 2.98Å; F153-C156 PolarHBondContact O-N 3.42Å; F153-W157 WeakPolarHBondContact O-CB 3.14Å; F153-W157 PolarHBondContact O-N 3.21Å; F153-F168 HydrophobicContact CB-CD1 4.35Å; F153-F168 HydrophobicContact CB-CE1 3.72Å; F153-F168 HydrophobicContact CB-CZ 3.85Å; F153-F168 HydrophobicContact CG-CZ 4.4Å; F153-W171 AromaticContact CD1-CH2 3.72Å; F153-W171 HydrophobicContact CD1-CH2 3.72Å; F153-W171 HydrophobicContact CD1-CZ2 4.37Å; F153-W171 HydrophobicContact CD2-CH2 4.44Å; F153-W171 HydrophobicContact CD2-CZ2 4.45Å; F153-W171 AromaticContact CE1-CH2 3.66Å; F153-W171 HydrophobicContact CE1-CH2 3.66Å; F153-W171 HydrophobicContact CE1-CZ2 4.01Å; F153-W171 HydrophobicContact CE2-CH2 4.38Å; F153-W171 HydrophobicContact CE2-CZ2 4.09Å; F153-W171 HydrophobicContact CG-CH2 4.14Å; F153-W171 HydrophobicContact CZ-CH2 4.01Å; F153-W171 AromaticContact CZ-CZ2 3.87Å; F153-W171 HydrophobicContact CZ-CZ2 3.87Å; F153-L174 HydrophobicContact CD2-CD1 3.83Å; F153-L174 HydrophobicContact CD2-CD2 4.09Å; F153-L174 HydrophobicContact CD2-CG 4.16Å; F153-L174 HydrophobicContact CE2-CD1 4.27Å; F153-L174 HydrophobicContact CE2-CD2 4.24Å; F153-L174 HydrophobicContact CE2-CG 4.18Å; F153-L174 HydrophobicContact CG-CD1 4.43Å |
| 154 | V | 98.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 49 Ų | 49 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.3 | 172 | 0 | 0 | 0 | 0 | 111.1 | Y150 K151 D152 W157 K158 F168 | Y150-V154 HydrophobicContact CD1-CG2 4.29Å; Y150-V154 HydrophobicContact CD2-CG2 4.45Å; Y150-V154 HydrophobicContact CE1-CG2 3.82Å; Y150-V154 HydrophobicContact CE2-CG2 3.99Å; Y150-V154 WeakPolarHBondContact O-CG2 3.23Å; Y150-V154 PolarHBondContact O-N 2.84Å; K151-V154 PolarHBondContact O-N 3.05Å; D152-V154 VanDerWaalsContact C-N 3.34Å; D152-V154 PolarHBondContact O-N 3.11Å; V154-W157 PolarHBondContact O-N 3.44Å; V154-K158 HydrophobicContact CG1-CD 4.28Å; V154-K158 WeakPolarHBondContact O-CG 3.46Å; V154-K158 PolarHBondContact O-N 2.91Å; V154-F168 HydrophobicContact CG2-CB 4.43Å; V154-F168 HydrophobicContact CG2-CD1 3.87Å |
| 155 | S | 96.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 111 | K151 D152 W157 K158 N159 | K151-S155 WeakPolarHBondContact O-CB 3.5Å; K151-S155 PolarHBondContact O-N 2.91Å; D152-S155 WeakPolarHBondContact O-CB 3.39Å; D152-S155 PolarHBondContact O-N 2.8Å; S155-W157 PolarHBondContact O-N 3.49Å; S155-K158 PolarHBondContact O-N 3.49Å; S155-N159 WeakPolarHBondContact O-CB 3.39Å; S155-N159 PolarHBondContact O-N 3.27Å; S155-N159 VanDerWaalsContact O-N 3.09Å; S155-N159 PolarHBondContact O-ND2 3.12Å |
| 156 | C | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 177.6 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | F17 Y91 M148 D152 F153 K158 N159 F160 | F17-C156 HydrophobicContact CE2-CB 3.62Å; F17-C156 HydrophobicContact CZ-CB 3.89Å; Y91-C156 WeakPolarHBondContact CB-SG 3.14Å; Y91-C156 WeakPolarHBondContact CD1-SG 3.11Å; M148-C156 HydrophobicContact CE-CB 4.31Å; M148-C156 WeakPolarHBondContact CE-SG 3.37Å; D152-C156 PolarHBondContact O-N 2.89Å; D152-C156 PolarHBondContact O-SG 2.85Å; D152-C156 VanDerWaalsContact O-SG 3.42Å; F153-C156 PolarHBondContact O-N 3.42Å; C156-K158 VanDerWaalsContact C-N 3.33Å; C156-K158 PolarHBondContact O-N 3.16Å; C156-N159 PolarHBondContact O-N 2.75Å; C156-F160 HydrophobicContact CB-CD2 4.14Å; C156-F160 WeakPolarHBondContact O-CB 3.34Å; C156-F160 WeakPolarHBondContact O-CD2 3.45Å; C156-F160 PolarHBondContact O-N 3.35Å |
| 157 | W | 98.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 5% | 0.045 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 178 | -177.9 | -91.9 | 0 | 0 | 0 | 111.5 | P14 F17 Y18 F153 V154 S155 N159 V161 S163 E166 F168 | P14-W157 HydrophobicContact CB-CH2 3.82Å; P14-W157 HydrophobicContact CB-CZ3 4.27Å; P14-W157 HydrophobicContact CG-CH2 4.17Å; F17-W157 AromaticContact CD1-CE3 3.57Å; F17-W157 HydrophobicContact CD1-CE3 3.57Å; F17-W157 AromaticContact CD1-CZ3 3.91Å; F17-W157 HydrophobicContact CD1-CZ3 3.91Å; F17-W157 AromaticContact CE1-CE3 3.89Å; F17-W157 HydrophobicContact CE1-CE3 3.89Å; F17-W157 HydrophobicContact CG-CE3 4.26Å; Y18-W157 HydrophobicContact CD2-CH2 4.29Å; Y18-W157 AromaticContact CD2-CZ3 3.99Å; Y18-W157 HydrophobicContact CD2-CZ3 3.99Å; Y18-W157 AromaticContact CE2-CH2 3.41Å; Y18-W157 HydrophobicContact CE2-CH2 3.41Å; Y18-W157 VanDerWaalsContact CE2-CH2 3.41Å; Y18-W157 AromaticContact CE2-CZ3 3.37Å; Y18-W157 HydrophobicContact CE2-CZ3 3.37Å; Y18-W157 AromaticContact CZ-CH2 3.86Å; Y18-W157 AromaticContact CZ-CZ3 3.67Å; F153-W157 WeakPolarHBondContact O-CB 3.14Å; F153-W157 PolarHBondContact O-N 3.21Å; V154-W157 PolarHBondContact O-N 3.44Å; S155-W157 PolarHBondContact O-N 3.49Å; W157-N159 VanDerWaalsContact C-N 3.31Å; W157-N159 PolarHBondContact O-N 3.32Å; W157-V161 HydrophobicContact CD2-CB 4.29Å; W157-V161 HydrophobicContact CD2-CG1 4.31Å; W157-V161 HydrophobicContact CD2-CG2 4.44Å; W157-V161 HydrophobicContact CE3-CB 4.12Å; W157-V161 HydrophobicContact CE3-CG1 3.92Å; W157-V161 HydrophobicContact CE3-CG2 3.96Å; W157-V161 HydrophobicContact CH2-CG1 4.1Å; W157-V161 HydrophobicContact CZ2-CG1 4.47Å; W157-V161 HydrophobicContact CZ3-CG1 3.81Å; W157-V161 WeakPolarHBondContact O-CB 3.46Å; W157-V161 PolarHBondContact O-N 2.87Å; W157-S163 VanDerWaalsContact NE1-CB 3.29Å; W157-E166 PolarHBondContact NE1-O 2.96Å; W157-F168 HydrophobicContact CB-CB 3.89Å; W157-F168 HydrophobicContact CB-CD2 4.39Å; W157-F168 HydrophobicContact CB-CG 4.33Å; W157-F168 HydrophobicContact CD2-CB 3.98Å; W157-F168 HydrophobicContact CD2-CD2 4.07Å; W157-F168 HydrophobicContact CD2-CG 4.5Å; W157-F168 AromaticContact CE3-CD2 3.87Å; W157-F168 HydrophobicContact CE3-CD2 3.87Å; W157-F168 HydrophobicContact CG-CB 3.61Å; W157-F168 HydrophobicContact CG-CD2 4.32Å; W157-F168 HydrophobicContact CG-CG 4.34Å |
| 158 | K | 96.8 | Very high | 96.7 | Very high | 152 Ų | 152 | 59 Ų | 59 | 66% | 0.661 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.2 | -31.3 | 178.8 | -71.3 | 179 | 177.5 | -169.6 | 0 | 113.7 | V154 S155 C156 | V154-K158 HydrophobicContact CG1-CD 4.28Å; V154-K158 WeakPolarHBondContact O-CG 3.46Å; V154-K158 PolarHBondContact O-N 2.91Å; S155-K158 PolarHBondContact O-N 3.49Å; C156-K158 VanDerWaalsContact C-N 3.33Å; C156-K158 PolarHBondContact O-N 3.16Å |
| 159 | N | 96.4 | Very high | 96.7 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -101.3 | -24.2 | -169.5 | -75.1 | -68.9 | 0 | 0 | 0 | 114.9 | R52 S155 C156 W157 | R52-N159 VanDerWaalsContact NH1-CA 3.34Å; R52-N159 PolarHBondContact NH1-O 3.13Å; R52-N159 PolarHBondContact NH1-OD1 3.3Å; S155-N159 WeakPolarHBondContact O-CB 3.39Å; S155-N159 PolarHBondContact O-N 3.27Å; S155-N159 VanDerWaalsContact O-N 3.09Å; S155-N159 PolarHBondContact O-ND2 3.12Å; C156-N159 PolarHBondContact O-N 2.75Å; W157-N159 VanDerWaalsContact C-N 3.31Å; W157-N159 PolarHBondContact O-N 3.32Å |
| 160 | F | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -135.8 | 10.2 | -166.7 | -51.5 | -68.6 | 0 | 0 | 0 | 113.3 | A11 M12 C36 F37 T38 R52 V54 Y91 C156 | A11-F160 CarbonylContact C-O 3.55Å; A11-F160 WeakPolarHBondContact CA-O 3.49Å; A11-F160 VanDerWaalsContact CB-C 3.47Å; A11-F160 WeakPolarHBondContact CB-O 3.32Å; M12-F160 PolarHBondContact N-O 3.04Å; C36-F160 HydrophobicContact CB-CB 4.19Å; C36-F160 HydrophobicContact CB-CD1 3.82Å; C36-F160 HydrophobicContact CB-CD2 3.37Å; C36-F160 HydrophobicContact CB-CE1 3.92Å; C36-F160 HydrophobicContact CB-CE2 3.55Å; C36-F160 HydrophobicContact CB-CG 3.53Å; C36-F160 HydrophobicContact CB-CZ 3.8Å; F37-F160 VanDerWaalsContact O-CE1 3.23Å; F37-F160 WeakPolarHBondContact O-CE1 3.4Å; F37-F160 VanDerWaalsContact O-CZ 3.28Å; F37-F160 WeakPolarHBondContact O-CZ 3.4Å; T38-F160 HydrophobicContact CG2-CE2 4.44Å; T38-F160 HydrophobicContact CG2-CZ 3.68Å; R52-F160 HydrophobicContact CB-CE1 3.87Å; R52-F160 HydrophobicContact CB-CZ 4.44Å; R52-F160 HydrophobicContact CG-CE1 4.38Å; V54-F160 HydrophobicContact CG2-CB 3.9Å; V54-F160 HydrophobicContact CG2-CD1 3.83Å; V54-F160 HydrophobicContact CG2-CG 4.19Å; Y91-F160 AromaticContact CD2-CE2 3.88Å; Y91-F160 HydrophobicContact CD2-CE2 3.88Å; Y91-F160 HydrophobicContact CD2-CZ 4.46Å; Y91-F160 HydrophobicContact CE2-CE2 4.13Å; C156-F160 HydrophobicContact CB-CD2 4.14Å; C156-F160 WeakPolarHBondContact O-CB 3.34Å; C156-F160 WeakPolarHBondContact O-CD2 3.45Å; C156-F160 PolarHBondContact O-N 3.35Å |
| 161 | V | 98.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -124.4 | 133.2 | 178.4 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | M12 P14 F17 W157 S163 | M12-V161 HydrophobicContact CG-CG2 4.29Å; M12-V161 VanDerWaalsContact O-CA 3.29Å; M12-V161 WeakPolarHBondContact O-CA 3.33Å; P14-V161 HydrophobicContact CB-CG1 4.32Å; P14-V161 HydrophobicContact CG-CG1 3.87Å; F17-V161 HydrophobicContact CB-CG2 3.71Å; F17-V161 HydrophobicContact CD1-CG2 4.29Å; F17-V161 HydrophobicContact CD2-CG2 3.65Å; F17-V161 HydrophobicContact CE2-CG2 4.33Å; F17-V161 HydrophobicContact CG-CG2 3.61Å; W157-V161 HydrophobicContact CD2-CB 4.29Å; W157-V161 HydrophobicContact CD2-CG1 4.31Å; W157-V161 HydrophobicContact CD2-CG2 4.44Å; W157-V161 HydrophobicContact CE3-CB 4.12Å; W157-V161 HydrophobicContact CE3-CG1 3.92Å; W157-V161 HydrophobicContact CE3-CG2 3.96Å; W157-V161 HydrophobicContact CH2-CG1 4.1Å; W157-V161 HydrophobicContact CZ2-CG1 4.47Å; W157-V161 HydrophobicContact CZ3-CG1 3.81Å; W157-V161 WeakPolarHBondContact O-CB 3.46Å; W157-V161 PolarHBondContact O-N 2.87Å; V161-S163 PolarHBondContact O-N 3.39Å |
| 162 | Y | 97.4 | Very high | 96.6 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 35% | 0.353 | 33% | 0.33 | S | S | . | . | trans | -70.4 | 81 | 166.6 | -63.3 | -61.2 | 0 | 0 | 0 | 108.7 | A11 M12 Y13 P14 | A11-Y162 HydrophobicContact CB-CD1 4.17Å; A11-Y162 HydrophobicContact CB-CD2 4.11Å; A11-Y162 HydrophobicContact CB-CE1 3.88Å; A11-Y162 HydrophobicContact CB-CE2 3.8Å; A11-Y162 HydrophobicContact CB-CG 4.28Å; M12-Y162 PolarHBondContact O-N 2.87Å; Y13-Y162 HydrophobicContact CD1-CD2 4.07Å; Y13-Y162 HydrophobicContact CE1-CD2 4.02Å; P14-Y162 WeakPolarHBondContact CD-O 3.34Å; P14-Y162 WeakPolarHBondContact CG-O 3.22Å | ||
| 163 | S | 91.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 65.4 Ų | 65.4 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -85.5 | -10.3 | -170.9 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | W157 V161 D165 E166 | W157-S163 VanDerWaalsContact NE1-CB 3.29Å; V161-S163 PolarHBondContact O-N 3.39Å; S163-D165 PolarHBondContact O-N 3.2Å; S163-E166 VanDerWaalsContact O-CB 3.26Å; S163-E166 WeakPolarHBondContact O-CB 3.27Å; S163-E166 PolarHBondContact O-N 3.3Å | ||
| 164 | D | 91.7 | Very high | 96.5 | Very high | 144 Ų | 144 | 65.7 Ų | 65.7 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 45.7 | -172.5 | -56.7 | -28.6 | 0 | 0 | 0 | 111.5 | E166 | D164-E166 PolarHBondContact O-N 2.83Š|
| 165 | D | 90.1 | Very high | 96.5 | Very high | 163 Ų | 163 | 68.2 Ų | 68.2 | 87% | 0.872 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 5.4 | -174.4 | -62.1 | -46.1 | 0 | 0 | 0 | 116.8 | S163 | S163-D165 PolarHBondContact O-N 3.2Š|
| 166 | E | 96.4 | Very high | 96.5 | Very high | 99 Ų | 99 | 70.5 Ų | 70.5 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 138.3 | 173.7 | -75.7 | -73.7 | 125.1 | 0 | 0 | 111.5 | W157 S163 D164 K169 | W157-E166 PolarHBondContact NE1-O 2.96Å; S163-E166 VanDerWaalsContact O-CB 3.26Å; S163-E166 WeakPolarHBondContact O-CB 3.27Å; S163-E166 PolarHBondContact O-N 3.3Å; D164-E166 PolarHBondContact O-N 2.83Å; E166-K169 IonicContact OE2-NZ 3.9Å; E166-K169 PolarHBondContact OE2-NZ 3.3Å |
| 167 | P | 96.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 71.7 Ų | 71.7 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 151.7 | 175.8 | 29.9 | -34.6 | 0 | 0 | 0 | 111.8 | K169 | P167-K169 PolarHBondContact O-N 3.26Š|
| 168 | F | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.066 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 126.8 | 171.1 | 175.4 | -119.1 | 0 | 0 | 0 | 111.1 | F17 Y18 Y150 F153 V154 W157 P170 W171 L174 | F17-F168 HydrophobicContact CE1-CD2 4.12Å; F17-F168 AromaticContact CE1-CE2 3.81Å; F17-F168 HydrophobicContact CE1-CE2 3.81Å; Y18-F168 HydrophobicContact CD1-CE2 4.5Å; Y18-F168 HydrophobicContact CE1-CD2 4.12Å; Y18-F168 AromaticContact CE1-CE2 3.74Å; Y18-F168 HydrophobicContact CE1-CE2 3.74Å; Y150-F168 HydrophobicContact CD2-CE1 4.41Å; Y150-F168 HydrophobicContact CE2-CD1 4.22Å; Y150-F168 HydrophobicContact CE2-CE1 4.31Å; F153-F168 HydrophobicContact CB-CD1 4.35Å; F153-F168 HydrophobicContact CB-CE1 3.72Å; F153-F168 HydrophobicContact CB-CZ 3.85Å; F153-F168 HydrophobicContact CG-CZ 4.4Å; V154-F168 HydrophobicContact CG2-CB 4.43Å; V154-F168 HydrophobicContact CG2-CD1 3.87Å; W157-F168 HydrophobicContact CB-CB 3.89Å; W157-F168 HydrophobicContact CB-CD2 4.39Å; W157-F168 HydrophobicContact CB-CG 4.33Å; W157-F168 HydrophobicContact CD2-CB 3.98Å; W157-F168 HydrophobicContact CD2-CD2 4.07Å; W157-F168 HydrophobicContact CD2-CG 4.5Å; W157-F168 AromaticContact CE3-CD2 3.87Å; W157-F168 HydrophobicContact CE3-CD2 3.87Å; W157-F168 HydrophobicContact CG-CB 3.61Å; W157-F168 HydrophobicContact CG-CD2 4.32Å; W157-F168 HydrophobicContact CG-CG 4.34Å; F168-P170 HydrophobicContact CE1-CB 3.98Å; F168-P170 HydrophobicContact CZ-CB 4.43Å; F168-W171 HydrophobicContact CE2-CE3 4.26Å; F168-W171 AromaticContact CE2-CZ3 3.79Å; F168-W171 HydrophobicContact CE2-CZ3 3.79Å; F168-W171 HydrophobicContact CZ-CE3 4.06Å; F168-W171 HydrophobicContact CZ-CH2 4.13Å; F168-W171 AromaticContact CZ-CZ3 3.65Å; F168-W171 HydrophobicContact CZ-CZ3 3.65Å; F168-L174 HydrophobicContact CE1-CD1 3.92Å; F168-L174 HydrophobicContact CZ-CD1 3.89Å |
| 169 | K | 97.9 | Very high | 96.6 | Very high | 122 Ų | 122 | 73.2 Ų | 73.2 | 53% | 0.53 | 37% | 0.368 | S | S | . | . | trans | -104.6 | 105.1 | 177.6 | -67.4 | 169.5 | -170.5 | 162.3 | 0 | 108.6 | Y18 E166 P167 W171 | Y18-K169 WeakPolarHBondContact CE1-O 3.46Å; Y18-K169 PolarHBondContact OH-N 3.45Å; Y18-K169 PolarHBondContact OH-O 2.99Å; E166-K169 IonicContact OE2-NZ 3.9Å; E166-K169 PolarHBondContact OE2-NZ 3.3Å; P167-K169 PolarHBondContact O-N 3.26Å; K169-W171 PolarHBondContact O-N 3.24Å | ||
| 170 | P | 97.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 73.4 Ų | 73.4 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 136.9 | -175.5 | 27.5 | -34.9 | 0 | 0 | 0 | 111.1 | Y150 F168 L174 | Y150-P170 HydrophobicContact CD2-CB 4.38Å; Y150-P170 HydrophobicContact CE2-CB 4.17Å; Y150-P170 HydrophobicContact CE2-CG 4.12Å; F168-P170 HydrophobicContact CE1-CB 3.98Å; F168-P170 HydrophobicContact CZ-CB 4.43Å; P170-L174 HydrophobicContact CB-CD1 3.9Å |
| 171 | W | 97.5 | Very high | 96.7 | Very high | 26 Ų | 26 | 73.5 Ų | 73.5 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 155.2 | 173.8 | 52.4 | 82.4 | 0 | 0 | 0 | 111.9 | Y18 F21 K22 N23 F153 F168 K169 G173 L174 | Y18-W171 HydrophobicContact CD1-CE3 4.08Å; Y18-W171 HydrophobicContact CD1-CZ3 4.29Å; Y18-W171 HydrophobicContact CE1-CE3 4.4Å; F21-W171 WeakPolarHBondContact O-CH2 3.22Å; K22-W171 HydrophobicContact CB-CD2 4.41Å; K22-W171 HydrophobicContact CD-CG 4.33Å; K22-W171 HydrophobicContact CG-CD2 3.77Å; K22-W171 HydrophobicContact CG-CE3 4.35Å; K22-W171 HydrophobicContact CG-CG 3.86Å; K22-W171 HydrophobicContact CG-CZ2 4.42Å; N23-W171 HydrophobicContact CB-CZ2 4.31Å; N23-W171 PolarHBondContact OD1-NE1 3.18Å; F153-W171 AromaticContact CD1-CH2 3.72Å; F153-W171 HydrophobicContact CD1-CH2 3.72Å; F153-W171 HydrophobicContact CD1-CZ2 4.37Å; F153-W171 HydrophobicContact CD2-CH2 4.44Å; F153-W171 HydrophobicContact CD2-CZ2 4.45Å; F153-W171 AromaticContact CE1-CH2 3.66Å; F153-W171 HydrophobicContact CE1-CH2 3.66Å; F153-W171 HydrophobicContact CE1-CZ2 4.01Å; F153-W171 HydrophobicContact CE2-CH2 4.38Å; F153-W171 HydrophobicContact CE2-CZ2 4.09Å; F153-W171 HydrophobicContact CG-CH2 4.14Å; F153-W171 HydrophobicContact CZ-CH2 4.01Å; F153-W171 AromaticContact CZ-CZ2 3.87Å; F153-W171 HydrophobicContact CZ-CZ2 3.87Å; F168-W171 HydrophobicContact CE2-CE3 4.26Å; F168-W171 AromaticContact CE2-CZ3 3.79Å; F168-W171 HydrophobicContact CE2-CZ3 3.79Å; F168-W171 HydrophobicContact CZ-CE3 4.06Å; F168-W171 HydrophobicContact CZ-CH2 4.13Å; F168-W171 AromaticContact CZ-CZ3 3.65Å; F168-W171 HydrophobicContact CZ-CZ3 3.65Å; K169-W171 PolarHBondContact O-N 3.24Å; W171-G173 PolarHBondContact O-N 3.15Å; W171-L174 HydrophobicContact CD2-CD1 4.19Å; W171-L174 HydrophobicContact CG-CB 4.46Å; W171-L174 HydrophobicContact CH2-CD1 4.19Å; W171-L174 HydrophobicContact CZ2-CD1 3.74Å; W171-L174 HydrophobicContact CZ2-CG 4Å; W171-L174 WeakPolarHBondContact O-CB 3.37Å; W171-L174 PolarHBondContact O-N 3.49Å |
| 172 | K | 97.1 | Very high | 96.6 | Very high | 212 Ų | 212 | 78.9 Ų | 78.9 | 92% | 0.922 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 129.1 | 173.3 | -172.6 | 176.7 | -179.4 | 178.5 | 0 | 110.5 | ||
| 173 | G | 96.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 80 Ų | 80 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 2.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | W171 Q175 T176 N177 | W171-G173 PolarHBondContact O-N 3.15Å; G173-Q175 VanDerWaalsContact C-N 3.32Å; G173-Q175 PolarHBondContact O-N 2.83Å; G173-T176 PolarHBondContact O-N 2.81Å; G173-T176 VanDerWaalsContact O-N 3.16Å; G173-N177 PolarHBondContact O-N 2.9Å |
| 174 | L | 98.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 83.7 Ų | 83.7 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -49.2 | -51.3 | 179.2 | -174.2 | 159.6 | 0 | 0 | 0 | 112.3 | N23 F153 F168 P170 W171 N177 F178 | N23-L174 PolarHBondContact ND2-O 2.99Å; F153-L174 HydrophobicContact CD2-CD1 3.83Å; F153-L174 HydrophobicContact CD2-CD2 4.09Å; F153-L174 HydrophobicContact CD2-CG 4.16Å; F153-L174 HydrophobicContact CE2-CD1 4.27Å; F153-L174 HydrophobicContact CE2-CD2 4.24Å; F153-L174 HydrophobicContact CE2-CG 4.18Å; F153-L174 HydrophobicContact CG-CD1 4.43Å; F168-L174 HydrophobicContact CE1-CD1 3.92Å; F168-L174 HydrophobicContact CZ-CD1 3.89Å; P170-L174 HydrophobicContact CB-CD1 3.9Å; W171-L174 HydrophobicContact CD2-CD1 4.19Å; W171-L174 HydrophobicContact CG-CB 4.46Å; W171-L174 HydrophobicContact CH2-CD1 4.19Å; W171-L174 HydrophobicContact CZ2-CD1 3.74Å; W171-L174 HydrophobicContact CZ2-CG 4Å; W171-L174 WeakPolarHBondContact O-CB 3.37Å; W171-L174 PolarHBondContact O-N 3.49Å; L174-N177 PolarHBondContact O-N 3.41Å; L174-F178 WeakPolarHBondContact O-CB 3.43Å; L174-F178 PolarHBondContact O-N 3.29Å |
| 175 | Q | 97.7 | Very high | 97.2 | Very high | 83 Ų | 83 | 77.2 Ų | 77.2 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.9 | -37.7 | -177.4 | -169.4 | 65 | 9.1 | 0 | 0 | 112.8 | G173 R179 | G173-Q175 VanDerWaalsContact C-N 3.32Å; G173-Q175 PolarHBondContact O-N 2.83Å; Q175-R179 WeakPolarHBondContact O-CG 3.42Å; Q175-R179 PolarHBondContact O-N 3.41Å; Q175-R179 VanDerWaalsContact O-N 3.13Å |
| 176 | T | 97.8 | Very high | 97.5 | Very high | 83 Ų | 83 | 76.7 Ų | 76.7 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | G173 F178 R179 L180 | G173-T176 PolarHBondContact O-N 2.81Å; G173-T176 VanDerWaalsContact O-N 3.16Å; T176-F178 PolarHBondContact O-N 2.89Å; T176-R179 PolarHBondContact O-N 3.48Å; T176-L180 HydrophobicContact CG2-CD1 4.35Å; T176-L180 WeakPolarHBondContact O-CG 3.44Å; T176-L180 PolarHBondContact O-N 3.38Å; T176-L180 VanDerWaalsContact O-N 3.14Å |
| 177 | N | 98 | Very high | 97.5 | Very high | 24 Ų | 24 | 75.8 Ų | 75.8 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 178.7 | -66.7 | -8.3 | 0 | 0 | 0 | 111.8 | N23 G173 L174 R179 L180 L181 | N23-N177 WeakPolarHBondContact O-CB 3.34Å; N23-N177 PolarHBondContact O-ND2 3.23Å; G173-N177 PolarHBondContact O-N 2.9Å; L174-N177 PolarHBondContact O-N 3.41Å; N177-R179 VanDerWaalsContact C-N 3.33Å; N177-R179 PolarHBondContact O-N 2.85Å; N177-L180 PolarHBondContact O-N 3.02Å; N177-L181 WeakPolarHBondContact O-CB 3.28Å; N177-L181 WeakPolarHBondContact O-CG 3.46Å; N177-L181 PolarHBondContact O-N 3.09Å |
| 178 | F | 98.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54 | -48.8 | 173.6 | 164.8 | -107.8 | 0 | 0 | 0 | 111.7 | I147 M148 L174 T176 L180 L181 K182 | I147-F178 HydrophobicContact CB-CD2 4.23Å; I147-F178 HydrophobicContact CB-CE2 4.28Å; I147-F178 HydrophobicContact CG2-CD2 3.8Å; I147-F178 HydrophobicContact CG2-CE2 4.34Å; I147-F178 WeakPolarHBondContact O-CE2 3.36Å; M148-F178 VanDerWaalsContact O-CD2 3.28Å; M148-F178 WeakPolarHBondContact O-CD2 3.31Å; L174-F178 WeakPolarHBondContact O-CB 3.43Å; L174-F178 PolarHBondContact O-N 3.29Å; T176-F178 PolarHBondContact O-N 2.89Å; F178-L180 VanDerWaalsContact C-N 3.34Å; F178-L180 PolarHBondContact O-N 2.87Å; F178-L181 PolarHBondContact O-N 3.4Å; F178-K182 HydrophobicContact CE1-CD 4.27Å; F178-K182 HydrophobicContact CE2-CB 4.47Å; F178-K182 HydrophobicContact CE2-CD 4.18Å; F178-K182 HydrophobicContact CZ-CD 3.72Å; F178-K182 WeakPolarHBondContact O-CB 3.4Å; F178-K182 PolarHBondContact O-N 3.06Å |
| 179 | R | 98.3 | Very high | 97.2 | Very high | 164 Ų | 164 | 74.3 Ų | 74.3 | 62% | 0.619 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 178.9 | -69.8 | 174.8 | -173 | 162.6 | 2 | 112.2 | Q175 T176 N177 R183 | Q175-R179 WeakPolarHBondContact O-CG 3.42Å; Q175-R179 PolarHBondContact O-N 3.41Å; Q175-R179 VanDerWaalsContact O-N 3.13Å; T176-R179 PolarHBondContact O-N 3.48Å; N177-R179 VanDerWaalsContact C-N 3.33Å; N177-R179 PolarHBondContact O-N 2.85Å; R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 PolarHBondContact O-N 3.19Å |
| 180 | L | 97.6 | Very high | 96.4 | Very high | 54 Ų | 54 | 77.8 Ų | 77.8 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.9 | -49.9 | 179.8 | -69.4 | 171.8 | 0 | 0 | 0 | 111.7 | L25 T176 N177 F178 K182 R183 R184 | L25-L180 HydrophobicContact CD1-CD1 3.74Å; L25-L180 HydrophobicContact CD2-CB 4.05Å; L25-L180 HydrophobicContact CD2-CD1 4.44Å; T176-L180 HydrophobicContact CG2-CD1 4.35Å; T176-L180 WeakPolarHBondContact O-CG 3.44Å; T176-L180 PolarHBondContact O-N 3.38Å; T176-L180 VanDerWaalsContact O-N 3.14Å; N177-L180 PolarHBondContact O-N 3.02Å; F178-L180 VanDerWaalsContact C-N 3.34Å; F178-L180 PolarHBondContact O-N 2.87Å; L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 3.21Å; L180-R183 PolarHBondContact O-N 3.02Å; L180-R184 WeakPolarHBondContact O-CG 3.2Å; L180-R184 PolarHBondContact O-N 3.04Å |
| 181 | L | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177 | -72 | 167.4 | 0 | 0 | 0 | 111.2 | N23 L25 A121 L123 I147 N177 F178 R183 R184 L185 | N23-L181 HydrophobicContact CB-CD1 4.13Å; L25-L181 HydrophobicContact CD2-CD2 4.06Å; L25-L181 HydrophobicContact CD2-CG 3.94Å; A121-L181 WeakPolarHBondContact O-CD1 3.33Å; L123-L181 HydrophobicContact CB-CD2 4.48Å; L123-L181 HydrophobicContact CD1-CD2 4.3Å; L123-L181 HydrophobicContact CG-CD2 4.22Å; I147-L181 HydrophobicContact CD1-CB 4.13Å; I147-L181 HydrophobicContact CG1-CB 4Å; I147-L181 HydrophobicContact CG2-CB 3.79Å; I147-L181 HydrophobicContact CG2-CD1 4.3Å; N177-L181 WeakPolarHBondContact O-CB 3.28Å; N177-L181 WeakPolarHBondContact O-CG 3.46Å; N177-L181 PolarHBondContact O-N 3.09Å; F178-L181 PolarHBondContact O-N 3.4Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.43Å; L181-R184 PolarHBondContact O-N 3.37Å; L181-L185 PolarHBondContact O-N 2.86Å |
| 182 | K | 97.8 | Very high | 96.3 | Very high | 122 Ų | 122 | 80.9 Ų | 80.9 | 53% | 0.53 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 177.8 | -177.9 | 174.4 | 179.7 | 176.3 | 0 | 111.7 | I147 F178 L180 R186 | I147-K182 HydrophobicContact CB-CB 4.46Å; I147-K182 HydrophobicContact CG1-CB 4.34Å; F178-K182 HydrophobicContact CE1-CD 4.27Å; F178-K182 HydrophobicContact CE2-CB 4.47Å; F178-K182 HydrophobicContact CE2-CD 4.18Å; F178-K182 HydrophobicContact CZ-CD 3.72Å; F178-K182 WeakPolarHBondContact O-CB 3.4Å; F178-K182 PolarHBondContact O-N 3.06Å; L180-K182 VanDerWaalsContact C-N 3.33Å; L180-K182 PolarHBondContact O-N 3.21Å; K182-R186 PolarHBondContact O-N 3.49Å; K182-R186 VanDerWaalsContact O-N 3.11Å |
| 183 | R | 97.4 | Very high | 96.3 | Very high | 115 Ų | 115 | 73.6 Ų | 73.6 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 174 | -176.2 | -177.6 | 65.3 | -176.7 | -0.5 | 110.8 | R179 L180 L181 R186 E187 | R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 PolarHBondContact O-N 3.19Å; L180-R183 PolarHBondContact O-N 3.02Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.43Å; R183-R186 PolarHBondContact O-N 3.41Å; R183-E187 WeakPolarHBondContact CG-OE1 3.38Å; R183-E187 IonicContact NE-OE1 2.76Å; R183-E187 WeakPolarHBondContact O-CG 3.2Å; R183-E187 PolarHBondContact O-N 3.02Å; R183-E187 VanDerWaalsContact O-N 3.07Å |
| 184 | R | 96.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 76.2 Ų | 76.2 | 39% | 0.389 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 177.4 | -69.3 | -52.7 | -169.1 | -175.1 | 7 | 112.6 | L123 F126 L180 L181 R186 E187 I188 | L123-R184 HydrophobicContact CD1-CB 3.96Å; F126-R184 HydrophobicContact CE2-CG 4.47Å; L180-R184 WeakPolarHBondContact O-CG 3.2Å; L180-R184 PolarHBondContact O-N 3.04Å; L181-R184 PolarHBondContact O-N 3.37Å; R184-R186 VanDerWaalsContact C-N 3.25Å; R184-R186 PolarHBondContact O-N 3.19Å; R184-E187 VanDerWaalsContact CD-OE2 3.23Å; R184-E187 WeakPolarHBondContact CD-OE2 3.15Å; R184-E187 IonicContact CZ-OE2 3.84Å; R184-E187 IonicContact NE-OE2 3.02Å; R184-E187 IonicContact NH1-OE2 3.35Å; R184-E187 PolarHBondContact NH1-OE2 3.32Å; R184-E187 WeakPolarHBondContact O-CB 3.36Å; R184-E187 PolarHBondContact O-N 2.97Å; R184-I188 WeakPolarHBondContact O-CG1 3.32Å; R184-I188 PolarHBondContact O-N 2.75Å |
| 185 | L | 97.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.7 | -40 | 177.6 | -179.6 | 62.5 | 0 | 0 | 0 | 111.6 | L123 L135 V145 I147 L181 E187 I188 L189 | L123-L185 HydrophobicContact CD1-CB 4.32Å; L123-L185 HydrophobicContact CD2-CD1 4.07Å; L135-L185 HydrophobicContact CD1-CD1 4.24Å; V145-L185 HydrophobicContact CG1-CD1 4.17Å; V145-L185 HydrophobicContact CG1-CD2 4.21Å; I147-L185 HydrophobicContact CD1-CB 4.11Å; I147-L185 HydrophobicContact CD1-CD2 3.83Å; I147-L185 HydrophobicContact CG1-CB 4.11Å; I147-L185 HydrophobicContact CG1-CD2 3.86Å; L181-L185 PolarHBondContact O-N 2.86Å; L185-E187 VanDerWaalsContact C-N 3.33Å; L185-E187 PolarHBondContact O-N 3.46Å; L185-I188 PolarHBondContact O-N 2.82Å; L185-L189 HydrophobicContact CD1-CD1 3.81Å; L185-L189 HydrophobicContact CD1-CD2 4.45Å; L185-L189 HydrophobicContact CD1-CG 3.91Å; L185-L189 HydrophobicContact CD2-CD1 4.44Å; L185-L189 HydrophobicContact CG-CD1 3.87Å; L185-L189 HydrophobicContact CG-CG 4.28Å; L185-L189 WeakPolarHBondContact O-CG 3.29Å; L185-L189 PolarHBondContact O-N 3Å |
| 186 | R | 96.9 | Very high | 96 | Very high | 152 Ų | 152 | 80.4 Ų | 80.4 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.6 | -36.6 | 175.7 | -173.6 | -173.2 | 64.3 | 173 | 1.8 | 112.6 | K182 R183 R184 I188 Q190 | K182-R186 PolarHBondContact O-N 3.49Å; K182-R186 VanDerWaalsContact O-N 3.11Å; R183-R186 PolarHBondContact O-N 3.41Å; R184-R186 VanDerWaalsContact C-N 3.25Å; R184-R186 PolarHBondContact O-N 3.19Å; R186-I188 VanDerWaalsContact C-N 3.29Å; R186-Q190 WeakPolarHBondContact O-CG 3.26Å; R186-Q190 PolarHBondContact O-N 3.23Å |
| 187 | E | 96.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 80.2 Ų | 80.2 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -32.5 | 175.1 | -69.7 | 162.5 | -171.2 | 0 | 0 | 111.6 | R183 R184 L185 | R183-E187 WeakPolarHBondContact CG-OE1 3.38Å; R183-E187 IonicContact NE-OE1 2.76Å; R183-E187 WeakPolarHBondContact O-CG 3.2Å; R183-E187 PolarHBondContact O-N 3.02Å; R183-E187 VanDerWaalsContact O-N 3.07Å; R184-E187 VanDerWaalsContact CD-OE2 3.23Å; R184-E187 WeakPolarHBondContact CD-OE2 3.15Å; R184-E187 IonicContact CZ-OE2 3.84Å; R184-E187 IonicContact NE-OE2 3.02Å; R184-E187 IonicContact NH1-OE2 3.35Å; R184-E187 PolarHBondContact NH1-OE2 3.32Å; R184-E187 WeakPolarHBondContact O-CB 3.36Å; R184-E187 PolarHBondContact O-N 2.97Å; L185-E187 VanDerWaalsContact C-N 3.33Å; L185-E187 PolarHBondContact O-N 3.46Å |
| 188 | I | 95.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 84.5 Ų | 84.5 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.3 | -45.2 | 178 | -66.7 | 169.5 | 0 | 0 | 0 | 111.3 | L123 F126 Q132 L135 C136 R184 L185 R186 Q190 | L123-I188 HydrophobicContact CD1-CD1 4.24Å; F126-I188 HydrophobicContact CB-CD1 4.12Å; Q132-I188 HydrophobicContact CB-CG2 3.8Å; Q132-I188 HydrophobicContact CG-CD1 3.97Å; Q132-I188 HydrophobicContact CG-CG1 3.86Å; Q132-I188 HydrophobicContact CG-CG2 3.98Å; L135-I188 HydrophobicContact CB-CG2 4.41Å; C136-I188 PolarHBondContact SG-O 3.13Å; R184-I188 WeakPolarHBondContact O-CG1 3.32Å; R184-I188 PolarHBondContact O-N 2.75Å; L185-I188 PolarHBondContact O-N 2.82Å; R186-I188 VanDerWaalsContact C-N 3.29Å; I188-Q190 PolarHBondContact O-N 2.9Å |
| 189 | L | 93.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 88.8 Ų | 88.8 | 29% | 0.293 | 38% | 0.378 | S | S | . | . | trans | -82.5 | 9.2 | -176 | -60.1 | 179.7 | 0 | 0 | 0 | 114.1 | L135 V145 L185 | L135-L189 HydrophobicContact CB-CD2 4.27Å; L135-L189 WeakPolarHBondContact O-CD2 3.48Å; V145-L189 HydrophobicContact CB-CD1 4.46Å; L185-L189 HydrophobicContact CD1-CD1 3.81Å; L185-L189 HydrophobicContact CD1-CD2 4.45Å; L185-L189 HydrophobicContact CD1-CG 3.91Å; L185-L189 HydrophobicContact CD2-CD1 4.44Å; L185-L189 HydrophobicContact CG-CD1 3.87Å; L185-L189 HydrophobicContact CG-CG 4.28Å; L185-L189 WeakPolarHBondContact O-CG 3.29Å; L185-L189 PolarHBondContact O-N 3Å | ||
| 190 | Q | 81.6 | Confident | 95.3 | Very high | 195 Ų | 195 | 82 Ų | 82 | 91% | 0.911 | 36% | 0.356 | S | S | * | . | trans | -89.9 | 0 | 176.3 | -91.9 | 176.6 | 5.2 | 0 | 0 | 110.7 | R186 I188 | R186-Q190 WeakPolarHBondContact O-CG 3.26Å; R186-Q190 PolarHBondContact O-N 3.23Å; I188-Q190 PolarHBondContact O-N 2.9Å |
Retrieved 190 of 190 residues in 90.1 ms
(Link to these results)