| 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 | 53.3 | Low | 61.3 | Low | 240 Ų | 240 | 132.5 Ų | 132.5 | 100% | 1.182 | 67% | 0.671 | S | S | * | * | 0 | 53.2 | 0 | -72 | 174.4 | 165.5 | 0 | 0 | 109.9 | |||||
| 2 | E | 58.1 | Low | 61.8 | Low | 173 Ų | 173 | 134.8 Ų | 134.8 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | trans | -111.1 | 3.7 | -172.7 | -76.6 | 179 | 151.1 | 0 | 0 | 114.4 | ||||
| 3 | G | 58.3 | Low | 62.4 | Low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -86.4 | -18.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 4 | S | 61 | Low | 63.1 | Low | 79 Ų | 79 | 125.3 Ų | 125.3 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.3 | -40.6 | -176.3 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | R6 S7 | S4-R6 PolarHBondContact O-N 3.18Å; S4-S7 PolarHBondContact O-N 3.1Å |
| 5 | D | 61.2 | Low | 63.5 | Low | 133 Ų | 133 | 122.5 Ų | 122.5 | 71% | 0.711 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.7 | -32.1 | -165.8 | -144.6 | 11.6 | 0 | 0 | 0 | 113.1 | ||
| 6 | R | 62.9 | Low | 64.2 | Low | 184 Ų | 184 | 120.2 Ų | 120.2 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.7 | -31.7 | 177.6 | -66.7 | -174.1 | -166.8 | 177.8 | 4.7 | 113.2 | S4 W8 S9 Y10 | S4-R6 PolarHBondContact O-N 3.18Å; R6-W8 VanDerWaalsContact C-N 3.33Å; R6-S9 PolarHBondContact O-N 2.67Å; R6-S9 PolarHBondContact O-OG 2.98Å; R6-Y10 WeakPolarHBondContact O-CD2 3.47Å; R6-Y10 PolarHBondContact O-N 3.49Å |
| 7 | S | 62.9 | Low | 65.2 | Low | 76 Ų | 76 | 118.2 Ų | 118.2 | 53% | 0.531 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.5 | -38 | -178.7 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | S4 Q11 | S4-S7 PolarHBondContact O-N 3.1Å; S7-Q11 PolarHBondContact O-N 2.95Å |
| 8 | W | 61.9 | Low | 66.2 | Low | 176 Ų | 176 | 114.9 Ų | 114.9 | 67% | 0.667 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.2 | -37.5 | 178.2 | -70.7 | 108.2 | 0 | 0 | 0 | 112.6 | R6 R12 | R6-W8 VanDerWaalsContact C-N 3.33Å; W8-R12 WeakPolarHBondContact O-CB 3.48Å; W8-R12 PolarHBondContact O-N 3.12Å; W8-R12 VanDerWaalsContact O-N 3.15Å |
| 9 | S | 66.2 | Low | 67.3 | Low | 54 Ų | 54 | 109.9 Ų | 109.9 | 38% | 0.378 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -46 | 177.8 | 63.1 | 0 | 0 | 0 | 0 | 112 | R6 Q11 R12 D13 | R6-S9 PolarHBondContact O-N 2.67Å; R6-S9 PolarHBondContact O-OG 2.98Å; S9-Q11 VanDerWaalsContact C-N 3.29Å; S9-Q11 PolarHBondContact O-N 3.06Å; S9-R12 PolarHBondContact O-N 3.37Å; S9-D13 WeakPolarHBondContact O-CB 3.24Å; S9-D13 VanDerWaalsContact O-CG 3.25Å; S9-D13 PolarHBondContact O-N 2.9Å |
| 10 | Y | 63.4 | Low | 68.5 | Low | 170 Ų | 170 | 110.8 Ų | 110.8 | 67% | 0.667 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -38.3 | 178.5 | -80.6 | -67.5 | 0 | 0 | 0 | 113 | R6 A14 | R6-Y10 WeakPolarHBondContact O-CD2 3.47Å; R6-Y10 PolarHBondContact O-N 3.49Å; Y10-A14 WeakPolarHBondContact O-CB 3.29Å; Y10-A14 PolarHBondContact O-N 2.86Å |
| 11 | Q | 64.5 | Low | 69.6 | Low | 104 Ų | 104 | 108 Ų | 108 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | -178.5 | -159.7 | 162.8 | 6.8 | 0 | 0 | 111.3 | S7 S9 A14 E15 | S7-Q11 PolarHBondContact O-N 2.95Å; S9-Q11 VanDerWaalsContact C-N 3.29Å; S9-Q11 PolarHBondContact O-N 3.06Å; Q11-A14 PolarHBondContact O-N 2.73Å; Q11-E15 VanDerWaalsContact O-CG 3.29Å; Q11-E15 WeakPolarHBondContact O-CG 3.37Å; Q11-E15 PolarHBondContact O-N 3Å |
| 12 | R | 68.4 | Low | 71.6 | Confident | 161 Ų | 161 | 96.7 Ų | 96.7 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 174.1 | -174.2 | 178.3 | 171.5 | 150.1 | 1.1 | 112.4 | W8 S9 A14 E15 E16 | W8-R12 WeakPolarHBondContact O-CB 3.48Å; W8-R12 PolarHBondContact O-N 3.12Å; W8-R12 VanDerWaalsContact O-N 3.15Å; S9-R12 PolarHBondContact O-N 3.37Å; R12-A14 VanDerWaalsContact C-N 3.32Å; R12-A14 PolarHBondContact O-N 3.32Å; R12-E15 PolarHBondContact O-N 3Å; R12-E16 IonicContact CZ-OE1 3.69Å; R12-E16 IonicContact NE-OE1 3.44Å; R12-E16 PolarHBondContact NE-OE1 3.03Å; R12-E16 IonicContact NH2-OE1 3.18Å; R12-E16 WeakPolarHBondContact O-CB 3.44Å; R12-E16 WeakPolarHBondContact O-CG 3.18Å; R12-E16 PolarHBondContact O-N 3.37Å |
| 13 | D | 69.4 | Low | 73.4 | Confident | 97 Ų | 97 | 92.3 Ų | 92.3 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.8 | -71.4 | -24.8 | 0 | 0 | 0 | 111.1 | S9 D17 | S9-D13 WeakPolarHBondContact O-CB 3.24Å; S9-D13 VanDerWaalsContact O-CG 3.25Å; S9-D13 PolarHBondContact O-N 2.9Å; D13-D17 WeakPolarHBondContact O-CB 3.21Å; D13-D17 PolarHBondContact O-N 3.39Å |
| 14 | A | 71.5 | Confident | 75.2 | Confident | 39 Ų | 39 | 97.8 Ų | 97.8 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y10 Q11 R12 D17 H18 | Y10-A14 WeakPolarHBondContact O-CB 3.29Å; Y10-A14 PolarHBondContact O-N 2.86Å; Q11-A14 PolarHBondContact O-N 2.73Å; R12-A14 VanDerWaalsContact C-N 3.32Å; R12-A14 PolarHBondContact O-N 3.32Å; A14-D17 WeakPolarHBondContact O-CB 3.14Å; A14-D17 PolarHBondContact O-N 3.25Å; A14-H18 PolarHBondContact O-CD2 3.47Å; A14-H18 PolarHBondContact O-N 2.86Å |
| 15 | E | 68.8 | Low | 76.9 | Confident | 83 Ų | 83 | 95.2 Ų | 95.2 | 39% | 0.388 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.8 | -74.2 | 171.3 | -174 | 0 | 0 | 112.1 | Q11 R12 D17 H18 G19 P91 | Q11-E15 VanDerWaalsContact O-CG 3.29Å; Q11-E15 WeakPolarHBondContact O-CG 3.37Å; Q11-E15 PolarHBondContact O-N 3Å; R12-E15 PolarHBondContact O-N 3Å; E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 3.41Å; E15-H18 PolarHBondContact O-N 3.44Å; E15-G19 PolarHBondContact O-N 3.42Å; E15-G19 VanDerWaalsContact O-N 3.12Å; E15-P91 HydrophobicContact CG-CG 4.25Å |
| 16 | E | 74.8 | Confident | 78.6 | Confident | 86 Ų | 86 | 89 Ų | 89 | 40% | 0.402 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.8 | -33.3 | 175.2 | -74.6 | -173.7 | -163.4 | 0 | 0 | 112.2 | R12 K20 | R12-E16 IonicContact CZ-OE1 3.69Å; R12-E16 IonicContact NE-OE1 3.44Å; R12-E16 PolarHBondContact NE-OE1 3.03Å; R12-E16 IonicContact NH2-OE1 3.18Å; R12-E16 WeakPolarHBondContact O-CB 3.44Å; R12-E16 WeakPolarHBondContact O-CG 3.18Å; R12-E16 PolarHBondContact O-N 3.37Å; E16-K20 WeakPolarHBondContact O-CD 3.19Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.35Å; E16-K20 PolarHBondContact O-N 3.31Å |
| 17 | D | 81.6 | Confident | 80.3 | Confident | 86 Ų | 86 | 86.6 Ų | 86.6 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 175.8 | -162.4 | 46.3 | 0 | 0 | 0 | 111.6 | D13 A14 E15 G19 K20 D21 | D13-D17 WeakPolarHBondContact O-CB 3.21Å; D13-D17 PolarHBondContact O-N 3.39Å; A14-D17 WeakPolarHBondContact O-CB 3.14Å; A14-D17 PolarHBondContact O-N 3.25Å; E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 3.41Å; D17-G19 VanDerWaalsContact C-N 3.32Å; D17-G19 PolarHBondContact O-N 3.3Å; D17-K20 WeakPolarHBondContact O-CB 3.42Å; D17-K20 PolarHBondContact O-N 2.81Å; D17-K20 VanDerWaalsContact O-N 3.1Å; D17-D21 PolarHBondContact O-N 3.07Å |
| 18 | H | 84 | Confident | 82 | Confident | 60 Ų | 60 | 86.5 Ų | 86.5 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 176.8 | -63 | -31.7 | 0 | 0 | 0 | 112.7 | A14 E15 D21 F22 W99 | A14-H18 PolarHBondContact O-CD2 3.47Å; A14-H18 PolarHBondContact O-N 2.86Å; E15-H18 PolarHBondContact O-N 3.44Å; H18-D21 PolarHBondContact O-N 3.38Å; H18-F22 WeakPolarHBondContact O-CB 3.38Å; H18-F22 PolarHBondContact O-N 3.26Å; H18-W99 HydrophobicContact CB-CH2 4.21Å |
| 19 | G | 86.8 | Confident | 83.7 | Confident | 20 Ų | 20 | 78.1 Ų | 78.1 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E15 D17 N23 | E15-G19 PolarHBondContact O-N 3.42Å; E15-G19 VanDerWaalsContact O-N 3.12Å; D17-G19 VanDerWaalsContact C-N 3.32Å; D17-G19 PolarHBondContact O-N 3.3Å; G19-N23 PolarHBondContact O-N 3.12Å; G19-N23 PolarHBondContact O-ND2 3.39Å |
| 20 | K | 90.2 | Very high | 85.2 | Confident | 127 Ų | 127 | 77.8 Ų | 77.8 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.9 | -43.1 | 175.5 | -71.6 | 165.9 | -169.3 | 160.4 | 0 | 111.2 | E16 D17 N23 R24 | E16-K20 WeakPolarHBondContact O-CD 3.19Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.35Å; E16-K20 PolarHBondContact O-N 3.31Å; D17-K20 WeakPolarHBondContact O-CB 3.42Å; D17-K20 PolarHBondContact O-N 2.81Å; D17-K20 VanDerWaalsContact O-N 3.1Å; K20-N23 PolarHBondContact O-N 3.26Å; K20-R24 WeakPolarHBondContact O-CB 3.48Å; K20-R24 PolarHBondContact O-N 3.37Å |
| 21 | D | 93.1 | Very high | 86.9 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177 | -84.2 | -14.1 | 0 | 0 | 0 | 112.3 | D17 H18 N23 R24 L25 L87 | D17-D21 PolarHBondContact O-N 3.07Å; H18-D21 PolarHBondContact O-N 3.38Å; D21-N23 PolarHBondContact O-N 2.96Å; D21-R24 PolarHBondContact O-N 3.08Å; D21-L25 WeakPolarHBondContact O-CB 3.33Å; D21-L25 WeakPolarHBondContact O-CG 3.38Å; D21-L25 PolarHBondContact O-N 2.99Å; D21-L87 HydrophobicContact CB-CD1 4.43Å; D21-L87 HydrophobicContact CB-CD2 4.22Å |
| 22 | F | 95.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.2 | -179.8 | -92.8 | 0 | 0 | 0 | 112 | H18 T26 L84 L87 W99 Q102 R103 | H18-F22 WeakPolarHBondContact O-CB 3.38Å; H18-F22 PolarHBondContact O-N 3.26Å; F22-T26 WeakPolarHBondContact O-CB 3.42Å; F22-T26 PolarHBondContact O-N 2.99Å; F22-T26 PolarHBondContact O-OG1 3.22Å; F22-L84 HydrophobicContact CD2-CD1 3.48Å; F22-L84 VanDerWaalsContact CD2-CD1 3.48Å; F22-L84 HydrophobicContact CE2-CD1 3.56Å; F22-L84 HydrophobicContact CE2-CG 4.29Å; F22-L84 HydrophobicContact CG-CD1 4.22Å; F22-L84 HydrophobicContact CZ-CD1 4.34Å; F22-L87 VanDerWaalsContact CA-CD1 3.49Å; F22-L87 HydrophobicContact CB-CD1 3.77Å; F22-L87 HydrophobicContact CD2-CD1 4.08Å; F22-L87 HydrophobicContact CG-CD1 4.43Å; F22-W99 HydrophobicContact CB-CD2 4.21Å; F22-W99 HydrophobicContact CB-CE3 4.26Å; F22-W99 HydrophobicContact CB-CH2 3.68Å; F22-W99 HydrophobicContact CB-CZ2 3.6Å; F22-W99 HydrophobicContact CB-CZ3 4Å; F22-W99 AromaticContact CD1-CD1 3.85Å; F22-W99 AromaticContact CD1-CD2 3.96Å; F22-W99 HydrophobicContact CD1-CD2 3.96Å; F22-W99 AromaticContact CD1-CE2 3.73Å; F22-W99 HydrophobicContact CD1-CG 4.07Å; F22-W99 HydrophobicContact CD1-CZ2 4.31Å; F22-W99 AromaticContact CD1-NE1 3.63Å; F22-W99 HydrophobicContact CD2-CB 4.31Å; F22-W99 AromaticContact CD2-CD2 3.32Å; F22-W99 HydrophobicContact CD2-CD2 3.32Å; F22-W99 AromaticContact CD2-CE2 3.83Å; F22-W99 AromaticContact CD2-CE3 3.31Å; F22-W99 HydrophobicContact CD2-CE3 3.31Å; F22-W99 AromaticContact CD2-CG 3.78Å; F22-W99 HydrophobicContact CD2-CG 3.78Å; F22-W99 HydrophobicContact CD2-CH2 4.3Å; F22-W99 HydrophobicContact CD2-CZ2 4.31Å; F22-W99 AromaticContact CD2-CZ3 3.82Å; F22-W99 HydrophobicContact CD2-CZ3 3.82Å; F22-W99 HydrophobicContact CE1-CB 4.39Å; F22-W99 AromaticContact CE1-CD1 3.64Å; F22-W99 HydrophobicContact CE1-CD2 4.19Å; F22-W99 AromaticContact CE1-CG 3.83Å; F22-W99 HydrophobicContact CE1-CG 3.83Å; F22-W99 AromaticContact CE1-NE1 3.92Å; F22-W99 HydrophobicContact CE2-CB 3.62Å; F22-W99 AromaticContact CE2-CD2 3.6Å; F22-W99 HydrophobicContact CE2-CD2 3.6Å; F22-W99 AromaticContact CE2-CE3 3.81Å; F22-W99 HydrophobicContact CE2-CE3 3.81Å; F22-W99 AromaticContact CE2-CG 3.53Å; F22-W99 HydrophobicContact CE2-CG 3.53Å; F22-W99 AromaticContact CG-CD2 3.54Å; F22-W99 HydrophobicContact CG-CD2 3.54Å; F22-W99 AromaticContact CG-CE2 3.49Å; F22-W99 VanDerWaalsContact CG-CE2 3.49Å; F22-W99 AromaticContact CG-CE3 3.84Å; F22-W99 HydrophobicContact CG-CE3 3.84Å; F22-W99 HydrophobicContact CG-CG 4.06Å; F22-W99 HydrophobicContact CG-CH2 4.1Å; F22-W99 AromaticContact CG-CZ2 3.81Å; F22-W99 HydrophobicContact CG-CZ2 3.81Å; F22-W99 HydrophobicContact CG-CZ3 4.1Å; F22-W99 AromaticContact CG-NE1 3.91Å; F22-W99 VanDerWaalsContact CZ-CA 3.49Å; F22-W99 HydrophobicContact CZ-CB 3.7Å; F22-W99 AromaticContact CZ-CD1 3.85Å; F22-W99 HydrophobicContact CZ-CD2 4.06Å; F22-W99 AromaticContact CZ-CG 3.58Å; F22-W99 HydrophobicContact CZ-CG 3.58Å; F22-Q102 HydrophobicContact CE1-CG 4.39Å; F22-Q102 VanDerWaalsContact CE1-OE1 3.28Å; F22-Q102 HydrophobicContact CZ-CB 4.08Å; F22-Q102 HydrophobicContact CZ-CG 4.14Å; F22-R103 HydrophobicContact CE2-CG 4.37Å |
| 23 | N | 94.9 | Very high | 90 | Very high | 82 Ų | 82 | 61.1 Ų | 61.1 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 178.1 | -74.9 | -51 | 0 | 0 | 0 | 111.6 | G19 K20 D21 T26 H27 | G19-N23 PolarHBondContact O-N 3.12Å; G19-N23 PolarHBondContact O-ND2 3.39Å; K20-N23 PolarHBondContact O-N 3.26Å; D21-N23 PolarHBondContact O-N 2.96Å; N23-T26 PolarHBondContact O-N 3.25Å; N23-H27 WeakPolarHBondContact O-CB 3.18Å; N23-H27 PolarHBondContact O-CD2 3.17Å; N23-H27 PolarHBondContact O-N 3.24Å |
| 24 | R | 96.6 | Very high | 91.3 | Very high | 182 Ų | 182 | 61.7 Ų | 61.7 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.7 | -49.4 | 177.4 | 178.7 | -176.1 | 170.8 | -174 | -1.6 | 111.6 | K20 D21 H27 L28 | K20-R24 WeakPolarHBondContact O-CB 3.48Å; K20-R24 PolarHBondContact O-N 3.37Å; D21-R24 PolarHBondContact O-N 3.08Å; R24-H27 PolarHBondContact O-N 3.34Å; R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 PolarHBondContact O-N 2.82Å |
| 25 | L | 96.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.131 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | -180 | -77.4 | 170 | 0 | 0 | 0 | 111.4 | D21 L28 V29 K83 L84 L87 | D21-L25 WeakPolarHBondContact O-CB 3.33Å; D21-L25 WeakPolarHBondContact O-CG 3.38Å; D21-L25 PolarHBondContact O-N 2.99Å; L25-L28 PolarHBondContact O-N 3.43Å; L25-V29 WeakPolarHBondContact O-CB 3.36Å; L25-V29 VanDerWaalsContact O-CG2 3.28Å; L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.3Å; L25-K83 HydrophobicContact CD1-CB 3.99Å; L25-K83 HydrophobicContact CD2-CB 4.15Å; L25-L84 HydrophobicContact CB-CB 4.26Å; L25-L84 HydrophobicContact CB-CD1 3.81Å; L25-L87 HydrophobicContact CD1-CD1 4.01Å; L25-L87 HydrophobicContact CD1-CG 4.3Å |
| 26 | T | 97.4 | Very high | 94 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.2 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | F22 N23 L28 V29 S30 Q102 L106 | F22-T26 WeakPolarHBondContact O-CB 3.42Å; F22-T26 PolarHBondContact O-N 2.99Å; F22-T26 PolarHBondContact O-OG1 3.22Å; N23-T26 PolarHBondContact O-N 3.25Å; T26-L28 VanDerWaalsContact C-N 3.28Å; T26-L28 PolarHBondContact O-N 3.07Å; T26-V29 PolarHBondContact O-N 3.27Å; T26-S30 WeakPolarHBondContact O-CB 3.17Å; T26-S30 PolarHBondContact O-N 3.04Å; T26-S30 PolarHBondContact O-OG 3.32Å; T26-Q102 HydrophobicContact CG2-CG 3.77Å; T26-L106 HydrophobicContact CG2-CD1 3.74Å |
| 27 | H | 97.7 | Very high | 95.2 | Very high | 133 Ų | 133 | 59.3 Ų | 59.3 | 62% | 0.616 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.9 | -38.9 | 178.7 | -76.1 | -53 | 0 | 0 | 0 | 111.8 | N23 R24 S31 | N23-H27 WeakPolarHBondContact O-CB 3.18Å; N23-H27 PolarHBondContact O-CD2 3.17Å; N23-H27 PolarHBondContact O-N 3.24Å; R24-H27 PolarHBondContact O-N 3.34Å; H27-S31 WeakPolarHBondContact O-CB 3.34Å; H27-S31 PolarHBondContact O-N 3.22Å |
| 28 | L | 98.2 | Very high | 96 | Very high | 73 Ų | 73 | 60.1 Ų | 60.1 | 38% | 0.382 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -55.1 | 175.7 | 178.6 | 61.4 | 0 | 0 | 0 | 111.1 | R24 L25 T26 S30 S31 Q32 | R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 PolarHBondContact O-N 2.82Å; L25-L28 PolarHBondContact O-N 3.43Å; T26-L28 VanDerWaalsContact C-N 3.28Å; T26-L28 PolarHBondContact O-N 3.07Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.08Å; L28-S31 PolarHBondContact O-N 3.42Å; L28-S31 VanDerWaalsContact O-N 3.12Å; L28-Q32 HydrophobicContact CD1-CG 4.22Å; L28-Q32 HydrophobicContact CG-CG 4.5Å; L28-Q32 VanDerWaalsContact O-CG 3.3Å; L28-Q32 WeakPolarHBondContact O-CG 3.42Å; L28-Q32 PolarHBondContact O-N 2.86Å |
| 29 | V | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 179.5 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L25 T26 S31 Q32 I33 T77 L81 L106 | L25-V29 WeakPolarHBondContact O-CB 3.36Å; L25-V29 VanDerWaalsContact O-CG2 3.28Å; L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.3Å; T26-V29 PolarHBondContact O-N 3.27Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 2.88Å; V29-Q32 PolarHBondContact O-N 3.4Å; V29-I33 HydrophobicContact CG1-CD1 3.7Å; V29-I33 HydrophobicContact CG1-CG1 4.3Å; V29-I33 VanDerWaalsContact O-CG1 3.28Å; V29-I33 WeakPolarHBondContact O-CG1 3.41Å; V29-I33 PolarHBondContact O-N 3.36Å; V29-T77 HydrophobicContact CG1-CG2 4.23Å; V29-L81 HydrophobicContact CG1-CD1 4.29Å; V29-L106 HydrophobicContact CB-CD1 4.26Å; V29-L106 HydrophobicContact CG1-CB 4.09Å; V29-L106 HydrophobicContact CG1-CD1 4.11Å; V29-L106 HydrophobicContact CG1-CD2 4.12Å; V29-L106 HydrophobicContact CG1-CG 4.34Å |
| 30 | S | 98.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | T26 L28 H34 L106 | T26-S30 WeakPolarHBondContact O-CB 3.17Å; T26-S30 PolarHBondContact O-N 3.04Å; T26-S30 PolarHBondContact O-OG 3.32Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.08Å; S30-H34 WeakPolarHBondContact O-CB 3.21Å; S30-H34 PolarHBondContact O-N 3.01Å; S30-L106 VanDerWaalsContact OG-CD2 3.27Å; S30-L106 WeakPolarHBondContact OG-CD2 3.44Å |
| 31 | S | 98.5 | Very high | 97.5 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 178.5 | 179 | 0 | 0 | 0 | 0 | 112.1 | H27 L28 V29 H34 K35 | H27-S31 WeakPolarHBondContact O-CB 3.34Å; H27-S31 PolarHBondContact O-N 3.22Å; L28-S31 PolarHBondContact O-N 3.42Å; L28-S31 VanDerWaalsContact O-N 3.12Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 2.88Å; S31-H34 PolarHBondContact O-N 3.5Å; S31-K35 WeakPolarHBondContact O-CG 3.3Å; S31-K35 PolarHBondContact O-N 3.01Å |
| 32 | Q | 98.4 | Very high | 97.8 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 177.1 | -65.2 | 169.1 | -49.2 | 0 | 0 | 110.9 | L28 V29 H34 K35 I36 L73 T77 S80 | L28-Q32 HydrophobicContact CD1-CG 4.22Å; L28-Q32 HydrophobicContact CG-CG 4.5Å; L28-Q32 VanDerWaalsContact O-CG 3.3Å; L28-Q32 WeakPolarHBondContact O-CG 3.42Å; L28-Q32 PolarHBondContact O-N 2.86Å; V29-Q32 PolarHBondContact O-N 3.4Å; Q32-H34 VanDerWaalsContact C-N 3.3Å; Q32-H34 PolarHBondContact O-N 2.87Å; Q32-K35 WeakPolarHBondContact O-CB 3.37Å; Q32-K35 PolarHBondContact O-N 2.7Å; Q32-K35 VanDerWaalsContact O-N 3.13Å; Q32-I36 WeakPolarHBondContact O-CG1 3.3Å; Q32-I36 PolarHBondContact O-N 3.45Å; Q32-L73 HydrophobicContact CB-CD1 3.86Å; Q32-L73 HydrophobicContact CB-CG 4.36Å; Q32-L73 HydrophobicContact CG-CD1 3.75Å; Q32-T77 HydrophobicContact CB-CG2 4.28Å; Q32-T77 WeakPolarHBondContact CB-OG1 3.47Å; Q32-S80 PolarHBondContact OE1-OG 2.9Å |
| 33 | I | 98.5 | Very high | 97.9 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -45.6 | 174.9 | -69.2 | 168.7 | 0 | 0 | 0 | 110.9 | V29 K35 I36 S37 T77 L106 D109 F110 V113 | V29-I33 HydrophobicContact CG1-CD1 3.7Å; V29-I33 HydrophobicContact CG1-CG1 4.3Å; V29-I33 VanDerWaalsContact O-CG1 3.28Å; V29-I33 WeakPolarHBondContact O-CG1 3.41Å; V29-I33 PolarHBondContact O-N 3.36Å; I33-K35 PolarHBondContact O-N 2.64Å; I33-I36 PolarHBondContact O-N 3.21Å; I33-S37 PolarHBondContact O-N 2.97Å; I33-T77 HydrophobicContact CG1-CG2 4.07Å; I33-L106 HydrophobicContact CD1-CD2 4.15Å; I33-L106 WeakPolarHBondContact CD1-O 3.41Å; I33-D109 HydrophobicContact CD1-CB 4.2Å; I33-D109 HydrophobicContact CG2-CB 4.2Å; I33-F110 HydrophobicContact CD1-CB 3.87Å; I33-F110 HydrophobicContact CG1-CB 4.08Å; I33-F110 HydrophobicContact CG1-CD2 4.21Å; I33-V113 HydrophobicContact CG2-CG1 3.93Å; I33-V113 HydrophobicContact CG2-CG2 3.97Å |
| 34 | H | 98.5 | Very high | 98 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 177.9 | -175 | 71.1 | 0 | 0 | 0 | 112.3 | S30 S31 Q32 S37 Q38 | S30-H34 WeakPolarHBondContact O-CB 3.21Å; S30-H34 PolarHBondContact O-N 3.01Å; S31-H34 PolarHBondContact O-N 3.5Å; Q32-H34 VanDerWaalsContact C-N 3.3Å; Q32-H34 PolarHBondContact O-N 2.87Å; H34-S37 WeakPolarHBondContact O-CB 3.22Å; H34-S37 PolarHBondContact O-N 2.84Å; H34-Q38 PolarHBondContact NE2-NE2 3.14Å; H34-Q38 WeakPolarHBondContact O-CG 3.5Å; H34-Q38 PolarHBondContact O-N 3.34Å |
| 35 | K | 98.5 | Very high | 98 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.3 | -76.6 | 176.3 | -177.7 | -179.7 | 0 | 112.1 | S31 Q32 I33 Q38 N39 L73 | S31-K35 WeakPolarHBondContact O-CG 3.3Å; S31-K35 PolarHBondContact O-N 3.01Å; Q32-K35 WeakPolarHBondContact O-CB 3.37Å; Q32-K35 PolarHBondContact O-N 2.7Å; Q32-K35 VanDerWaalsContact O-N 3.13Å; I33-K35 PolarHBondContact O-N 2.64Å; K35-Q38 PolarHBondContact O-N 2.76Å; K35-N39 WeakPolarHBondContact O-CB 3.42Å; K35-N39 VanDerWaalsContact O-CG 3.32Å; K35-N39 PolarHBondContact O-N 3.01Å; K35-L73 HydrophobicContact CB-CD2 3.53Å; K35-L73 HydrophobicContact CD-CD2 4.47Å |
| 36 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -50.2 | 173.5 | -66.7 | 169.4 | 0 | 0 | 0 | 109.4 | Q32 I33 Q38 N39 V40 T70 L73 F110 V113 | Q32-I36 WeakPolarHBondContact O-CG1 3.3Å; Q32-I36 PolarHBondContact O-N 3.45Å; I33-I36 PolarHBondContact O-N 3.21Å; I36-Q38 VanDerWaalsContact C-N 3.33Å; I36-Q38 PolarHBondContact O-N 3.1Å; I36-N39 PolarHBondContact O-N 3.25Å; I36-N39 VanDerWaalsContact O-N 3.13Å; I36-V40 HydrophobicContact CG2-CG2 4.22Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.44Å; I36-V40 PolarHBondContact O-N 3.01Å; I36-T70 HydrophobicContact CB-CG2 4.47Å; I36-T70 HydrophobicContact CG1-CG2 4.45Å; I36-T70 HydrophobicContact CG2-CG2 3.93Å; I36-L73 HydrophobicContact CD1-CG 4.14Å; I36-L73 HydrophobicContact CG1-CB 4.19Å; I36-L73 HydrophobicContact CG1-CD2 3.58Å; I36-L73 HydrophobicContact CG1-CG 3.69Å; I36-F110 HydrophobicContact CD1-CD2 4.39Å; I36-F110 HydrophobicContact CD1-CE2 3.95Å; I36-V113 HydrophobicContact CB-CG2 4.3Å; I36-V113 HydrophobicContact CG2-CB 4.05Å; I36-V113 HydrophobicContact CG2-CG2 3.91Å |
| 37 | S | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 113.2 | I33 H34 V40 S41 | I33-S37 PolarHBondContact O-N 2.97Å; H34-S37 WeakPolarHBondContact O-CB 3.22Å; H34-S37 PolarHBondContact O-N 2.84Å; S37-V40 PolarHBondContact O-N 3.45Å; S37-S41 PolarHBondContact O-N 2.87Å; S37-S41 VanDerWaalsContact O-N 3.13Å; S37-S41 PolarHBondContact O-OG 2.92Å; S37-S41 VanDerWaalsContact O-OG 3.11Å |
| 38 | Q | 98.5 | Very high | 97.6 | Very high | 104 Ų | 104 | 50.7 Ų | 50.7 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.1 | -72.3 | 178.8 | -35.5 | 0 | 0 | 111.9 | H34 K35 I36 S41 S42 | H34-Q38 PolarHBondContact NE2-NE2 3.14Å; H34-Q38 WeakPolarHBondContact O-CG 3.5Å; H34-Q38 PolarHBondContact O-N 3.34Å; K35-Q38 PolarHBondContact O-N 2.76Å; I36-Q38 VanDerWaalsContact C-N 3.33Å; I36-Q38 PolarHBondContact O-N 3.1Å; Q38-S41 PolarHBondContact O-N 2.79Å; Q38-S42 PolarHBondContact O-N 3.05Å |
| 39 | N | 98.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.193 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.8 | -72.2 | -5.4 | 0 | 0 | 0 | 111.6 | K35 I36 S41 S42 I43 T66 T70 | K35-N39 WeakPolarHBondContact O-CB 3.42Å; K35-N39 VanDerWaalsContact O-CG 3.32Å; K35-N39 PolarHBondContact O-N 3.01Å; I36-N39 PolarHBondContact O-N 3.25Å; I36-N39 VanDerWaalsContact O-N 3.13Å; N39-S41 VanDerWaalsContact C-N 3.28Å; N39-S41 PolarHBondContact O-N 3.41Å; N39-S42 CarbonylContact O-C 3.55Å; N39-S42 WeakPolarHBondContact O-CA 3.22Å; N39-S42 VanDerWaalsContact O-CB 3.29Å; N39-S42 WeakPolarHBondContact O-CB 3.47Å; N39-S42 PolarHBondContact O-N 3.42Å; N39-I43 WeakPolarHBondContact O-CB 3.32Å; N39-I43 VanDerWaalsContact O-CG1 3.28Å; N39-I43 WeakPolarHBondContact O-CG1 3.37Å; N39-I43 PolarHBondContact O-N 3.21Å; N39-T66 HydrophobicContact CB-CG2 3.95Å; N39-T70 HydrophobicContact CB-CG2 4.17Å; N39-T70 WeakPolarHBondContact CB-OG1 3.35Å; N39-T70 PolarHBondContact ND2-OG1 3.19Å |
| 40 | V | 98 | Very high | 97 | Very high | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 111 | I36 S37 S42 I43 Q44 N116 F117 V120 | I36-V40 HydrophobicContact CG2-CG2 4.22Å; I36-V40 VanDerWaalsContact O-CG2 3.3Å; I36-V40 WeakPolarHBondContact O-CG2 3.44Å; I36-V40 PolarHBondContact O-N 3.01Å; S37-V40 PolarHBondContact O-N 3.45Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.4Å; V40-I43 PolarHBondContact O-N 3.03Å; V40-Q44 WeakPolarHBondContact O-CB 3.48Å; V40-Q44 PolarHBondContact O-N 3.49Å; V40-N116 HydrophobicContact CG1-CB 3.97Å; V40-F117 HydrophobicContact CG2-CB 3.56Å; V40-F117 HydrophobicContact CG2-CD2 4.03Å; V40-F117 HydrophobicContact CG2-CG 4.16Å; V40-V120 HydrophobicContact CG1-CG1 4.13Å; V40-V120 HydrophobicContact CG1-CG2 4.06Å |
| 41 | S | 97.5 | Very high | 96.5 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | S37 Q38 N39 R45 | S37-S41 PolarHBondContact O-N 2.87Å; S37-S41 VanDerWaalsContact O-N 3.13Å; S37-S41 PolarHBondContact O-OG 2.92Å; S37-S41 VanDerWaalsContact O-OG 3.11Å; Q38-S41 PolarHBondContact O-N 2.79Å; N39-S41 VanDerWaalsContact C-N 3.28Å; N39-S41 PolarHBondContact O-N 3.41Å; S41-R45 WeakPolarHBondContact O-CG 3.33Å; S41-R45 PolarHBondContact O-N 2.74Å; S41-R45 PolarHBondContact O-NE 3.06Å |
| 42 | S | 98.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -48.5 | 173.9 | -165.7 | 0 | 0 | 0 | 0 | 111.6 | Q38 N39 V40 Q44 R45 M46 | Q38-S42 PolarHBondContact O-N 3.05Å; N39-S42 CarbonylContact O-C 3.55Å; N39-S42 WeakPolarHBondContact O-CA 3.22Å; N39-S42 VanDerWaalsContact O-CB 3.29Å; N39-S42 WeakPolarHBondContact O-CB 3.47Å; N39-S42 PolarHBondContact O-N 3.42Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.4Å; S42-Q44 VanDerWaalsContact C-N 3.35Å; S42-Q44 PolarHBondContact O-N 3.13Å; S42-R45 PolarHBondContact O-N 2.94Å; S42-M46 WeakPolarHBondContact O-CG 3.5Å; S42-M46 PolarHBondContact O-N 3.01Å |
| 43 | I | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 177 | -69.4 | 166.2 | 0 | 0 | 0 | 109.6 | N39 V40 R45 M46 V47 L63 T66 Q67 F117 V120 | N39-I43 WeakPolarHBondContact O-CB 3.32Å; N39-I43 VanDerWaalsContact O-CG1 3.28Å; N39-I43 WeakPolarHBondContact O-CG1 3.37Å; N39-I43 PolarHBondContact O-N 3.21Å; V40-I43 PolarHBondContact O-N 3.03Å; I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 PolarHBondContact O-N 3.35Å; I43-M46 HydrophobicContact CG1-CE 4.35Å; I43-M46 PolarHBondContact O-N 3.09Å; I43-M46 VanDerWaalsContact O-N 3.1Å; I43-V47 HydrophobicContact CG2-CG2 3.93Å; I43-V47 WeakPolarHBondContact O-CB 3.37Å; I43-V47 WeakPolarHBondContact O-CG2 3.33Å; I43-V47 PolarHBondContact O-N 3.39Å; I43-L63 HydrophobicContact CB-CD1 4.26Å; I43-L63 HydrophobicContact CG1-CD1 4.27Å; I43-L63 HydrophobicContact CG2-CD1 3.76Å; I43-T66 HydrophobicContact CD1-CG2 4.09Å; I43-T66 HydrophobicContact CG1-CG2 3.71Å; I43-Q67 HydrophobicContact CD1-CG 3.9Å; I43-Q67 HydrophobicContact CG1-CG 4.18Å; I43-Q67 HydrophobicContact CG2-CG 4.35Å; I43-F117 HydrophobicContact CD1-CD2 4.16Å; I43-F117 HydrophobicContact CD1-CE2 3.79Å; I43-V120 HydrophobicContact CB-CG2 4.23Å; I43-V120 HydrophobicContact CG2-CB 3.92Å; I43-V120 HydrophobicContact CG2-CG2 3.65Å |
| 44 | Q | 96.2 | Very high | 95.6 | Very high | 114 Ų | 114 | 60.7 Ų | 60.7 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.6 | -40.5 | 179.3 | -170.7 | 177.9 | 2.8 | 0 | 0 | 112.6 | V40 S42 S48 V120 | V40-Q44 WeakPolarHBondContact O-CB 3.48Å; V40-Q44 PolarHBondContact O-N 3.49Å; S42-Q44 VanDerWaalsContact C-N 3.35Å; S42-Q44 PolarHBondContact O-N 3.13Å; Q44-S48 PolarHBondContact O-N 2.99Å; Q44-V120 HydrophobicContact CB-CG1 4.05Å; Q44-V120 HydrophobicContact CG-CG1 4.37Å |
| 45 | R | 96.7 | Very high | 95.3 | Very high | 167 Ų | 167 | 57.6 Ų | 57.6 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.9 | -42 | 175.9 | -72 | -176.2 | -64.4 | 163 | 1.3 | 112.5 | S41 S42 I43 S48 Q49 | S41-R45 WeakPolarHBondContact O-CG 3.33Å; S41-R45 PolarHBondContact O-N 2.74Å; S41-R45 PolarHBondContact O-NE 3.06Å; S42-R45 PolarHBondContact O-N 2.94Å; I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 PolarHBondContact O-N 3.35Å; R45-S48 PolarHBondContact O-N 2.87Å; R45-S48 PolarHBondContact O-OG 3.16Å; R45-Q49 WeakPolarHBondContact O-CG 3.31Å; R45-Q49 PolarHBondContact O-N 3.13Å |
| 46 | M | 97.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 178.1 | -64.5 | -177.1 | -69.8 | 0 | 0 | 111.2 | S42 I43 S48 Q49 L50 L59 K62 L63 T66 | S42-M46 WeakPolarHBondContact O-CG 3.5Å; S42-M46 PolarHBondContact O-N 3.01Å; I43-M46 HydrophobicContact CG1-CE 4.35Å; I43-M46 PolarHBondContact O-N 3.09Å; I43-M46 VanDerWaalsContact O-N 3.1Å; M46-S48 VanDerWaalsContact C-N 3.32Å; M46-S48 PolarHBondContact O-N 3.33Å; M46-Q49 WeakPolarHBondContact O-CB 3.38Å; M46-Q49 PolarHBondContact O-N 3.01Å; M46-Q49 VanDerWaalsContact O-N 3.12Å; M46-L50 PolarHBondContact O-N 3.46Å; M46-L59 HydrophobicContact CB-CD1 3.88Å; M46-L59 HydrophobicContact CB-CG 4.4Å; M46-L59 HydrophobicContact CG-CD1 3.67Å; M46-L59 HydrophobicContact SD-CD1 4.34Å; M46-K62 HydrophobicContact SD-CB 4.12Å; M46-K62 HydrophobicContact SD-CD 3.96Å; M46-K62 HydrophobicContact SD-CG 3.76Å; M46-L63 HydrophobicContact CB-CB 4.19Å; M46-L63 HydrophobicContact CB-CD1 4.18Å; M46-L63 HydrophobicContact CE-CB 4.21Å; M46-L63 HydrophobicContact CE-CD1 4.1Å; M46-L63 HydrophobicContact SD-CB 4.22Å; M46-T66 HydrophobicContact CE-CG2 4.23Å |
| 47 | V | 93.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | I43 Q49 L50 L63 L123 A124 K127 | I43-V47 HydrophobicContact CG2-CG2 3.93Å; I43-V47 WeakPolarHBondContact O-CB 3.37Å; I43-V47 WeakPolarHBondContact O-CG2 3.33Å; I43-V47 PolarHBondContact O-N 3.39Å; V47-Q49 PolarHBondContact O-N 3.28Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.11Å; V47-L63 HydrophobicContact CG2-CD1 3.82Å; V47-L63 HydrophobicContact CG2-CD2 4Å; V47-L123 HydrophobicContact CG1-CB 4.25Å; V47-L123 HydrophobicContact CG1-CD2 3.66Å; V47-L123 HydrophobicContact CG1-CG 3.59Å; V47-A124 HydrophobicContact CG2-CB 3.65Å; V47-K127 HydrophobicContact CG1-CD 4.04Å; V47-K127 VanDerWaalsContact O-CD 3.22Å; V47-K127 WeakPolarHBondContact O-CD 3.29Å; V47-K127 VanDerWaalsContact O-CE 3.3Å; V47-K127 WeakPolarHBondContact O-CE 3.34Å; V47-K127 PolarHBondContact O-NZ 3.4Å |
| 48 | S | 93.3 | Very high | 94.5 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -27.2 | 177.1 | 72.7 | 0 | 0 | 0 | 0 | 113 | Q44 R45 M46 K127 | Q44-S48 PolarHBondContact O-N 2.99Å; R45-S48 PolarHBondContact O-N 2.87Å; R45-S48 PolarHBondContact O-OG 3.16Å; M46-S48 VanDerWaalsContact C-N 3.32Å; M46-S48 PolarHBondContact O-N 3.33Å; S48-K127 PolarHBondContact O-NZ 3.4Å |
| 49 | Q | 94.3 | Very high | 94.4 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -80.8 | -20.9 | 177.6 | -68 | 173.8 | -35.3 | 0 | 0 | 114 | R45 M46 V47 G51 T52 Q54 L59 | R45-Q49 WeakPolarHBondContact O-CG 3.31Å; R45-Q49 PolarHBondContact O-N 3.13Å; M46-Q49 WeakPolarHBondContact O-CB 3.38Å; M46-Q49 PolarHBondContact O-N 3.01Å; M46-Q49 VanDerWaalsContact O-N 3.12Å; V47-Q49 PolarHBondContact O-N 3.28Å; Q49-G51 PolarHBondContact O-N 2.92Å; Q49-T52 WeakPolarHBondContact O-CB 3.27Å; Q49-T52 WeakPolarHBondContact O-CG2 3.29Å; Q49-T52 PolarHBondContact O-N 2.7Å; Q49-T52 PolarHBondContact O-OG1 2.97Å; Q49-Q54 HydrophobicContact CB-CB 4.27Å; Q49-Q54 HydrophobicContact CG-CB 4.31Å; Q49-L59 HydrophobicContact CB-CD2 3.56Å |
| 50 | L | 89.9 | Confident | 94.2 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 130.5 | 174.5 | -62.1 | -178.5 | 0 | 0 | 0 | 111.3 | M46 V47 T52 L59 R60 L63 K127 | M46-L50 PolarHBondContact O-N 3.46Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.11Å; L50-T52 VanDerWaalsContact C-N 3.34Å; L50-L59 HydrophobicContact CD2-CD2 4.33Å; L50-R60 HydrophobicContact CD2-CG 3.75Å; L50-L63 HydrophobicContact CD1-CD2 3.7Å; L50-L63 HydrophobicContact CD2-CD2 4.29Å; L50-L63 HydrophobicContact CG-CD2 4.26Å; L50-K127 HydrophobicContact CB-CB 4.42Å; L50-K127 HydrophobicContact CB-CD 3.82Å; L50-K127 HydrophobicContact CD1-CB 4.06Å; L50-K127 HydrophobicContact CD1-CD 4.41Å; L50-K127 PolarHBondContact O-NZ 2.86Å |
| 51 | G | 86.3 | Confident | 94 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 4.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q49 D55 | Q49-G51 PolarHBondContact O-N 2.92Å; G51-D55 PolarHBondContact N-OD2 3.2Å |
| 52 | T | 92.1 | Very high | 93.9 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -103.2 | 177.5 | 176.8 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | Q49 L50 Q54 D55 | Q49-T52 WeakPolarHBondContact O-CB 3.27Å; Q49-T52 WeakPolarHBondContact O-CG2 3.29Å; Q49-T52 PolarHBondContact O-N 2.7Å; Q49-T52 PolarHBondContact O-OG1 2.97Å; L50-T52 VanDerWaalsContact C-N 3.34Å; T52-Q54 PolarHBondContact O-N 3.41Å; T52-Q54 VanDerWaalsContact O-N 3.1Å; T52-Q54 PolarHBondContact OG1-N 3.46Å; T52-D55 WeakPolarHBondContact O-CB 3.33Å; T52-D55 PolarHBondContact O-N 3.4Å |
| 53 | A | 92.6 | Very high | 93.9 | Very high | 114 Ų | 114 | 64.5 Ų | 64.5 | 94% | 0.942 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 54 | Q | 92.8 | Very high | 93.8 | Very high | 123 Ų | 123 | 66.9 Ų | 66.9 | 58% | 0.575 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.4 | 175.2 | -59.2 | -169.5 | -51.4 | 0 | 0 | 112.9 | Q49 T52 S56 | Q49-Q54 HydrophobicContact CB-CB 4.27Å; Q49-Q54 HydrophobicContact CG-CB 4.31Å; T52-Q54 PolarHBondContact O-N 3.41Å; T52-Q54 VanDerWaalsContact O-N 3.1Å; T52-Q54 PolarHBondContact OG1-N 3.46Å; Q54-S56 PolarHBondContact O-N 3.27Å |
| 55 | D | 93.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 24% | 0.235 | 36% | 0.355 | C | S | . | . | trans | -67.4 | 124.8 | 178 | -166.1 | -5.6 | 0 | 0 | 0 | 110.1 | G51 T52 R60 | G51-D55 PolarHBondContact N-OD2 3.2Å; T52-D55 WeakPolarHBondContact O-CB 3.33Å; T52-D55 PolarHBondContact O-N 3.4Å; D55-R60 IonicContact OD1-CZ 2.64Å; D55-R60 IonicContact OD1-NE 2.7Å; D55-R60 PolarHBondContact OD1-NE 2.93Å; D55-R60 IonicContact OD1-NH2 3.76Å; D55-R60 PolarHBondContact OD1-NH2 3.47Å; D55-R60 IonicContact OD2-CZ 3.46Å; D55-R60 IonicContact OD2-NE 3.79Å; D55-R60 IonicContact OD2-NH2 3.47Å; D55-R60 PolarHBondContact OD2-NH2 3.2Å | ||
| 56 | S | 92.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | trans | -151.2 | 157.8 | -177.7 | 61 | 0 | 0 | 0 | 0 | 110.2 | Q54 Q58 L59 R60 | Q54-S56 PolarHBondContact O-N 3.27Å; S56-Q58 PolarHBondContact O-N 2.94Å; S56-L59 WeakPolarHBondContact O-CB 3.36Å; S56-L59 PolarHBondContact O-N 3.37Å; S56-L59 WeakPolarHBondContact OG-CB 3.49Å; S56-L59 PolarHBondContact OG-N 2.89Å; S56-R60 WeakPolarHBondContact O-CG 3.28Å; S56-R60 PolarHBondContact O-N 3.38Å | ||
| 57 | E | 90.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -34.8 | 178.5 | -161.2 | 51.6 | -128.6 | 0 | 0 | 112.1 | L59 R60 Q61 R176 | E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.24Å; E57-R60 PolarHBondContact O-N 3.27Å; E57-Q61 WeakPolarHBondContact O-CB 3.4Å; E57-Q61 PolarHBondContact O-N 2.94Å; E57-R176 IonicContact OE2-NH2 2.72Å; E57-R176 PolarHBondContact OE2-NH2 3.06Å |
| 58 | Q | 94.1 | Very high | 93.9 | Very high | 170 Ų | 170 | 63.9 Ų | 63.9 | 79% | 0.794 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | 174 | -67.4 | -179.6 | -8.1 | 0 | 0 | 112.7 | S56 K62 | S56-Q58 PolarHBondContact O-N 2.94Å; Q58-K62 WeakPolarHBondContact O-CB 3.43Å; Q58-K62 PolarHBondContact O-N 3.13Å; Q58-K62 VanDerWaalsContact O-N 3.08Å |
| 59 | L | 95.9 | Very high | 94.1 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 175.9 | 179.6 | 74.1 | 0 | 0 | 0 | 110.7 | M46 Q49 L50 S56 E57 K62 L63 | M46-L59 HydrophobicContact CB-CD1 3.88Å; M46-L59 HydrophobicContact CB-CG 4.4Å; M46-L59 HydrophobicContact CG-CD1 3.67Å; M46-L59 HydrophobicContact SD-CD1 4.34Å; Q49-L59 HydrophobicContact CB-CD2 3.56Å; L50-L59 HydrophobicContact CD2-CD2 4.33Å; S56-L59 WeakPolarHBondContact O-CB 3.36Å; S56-L59 PolarHBondContact O-N 3.37Å; S56-L59 WeakPolarHBondContact OG-CB 3.49Å; S56-L59 PolarHBondContact OG-N 2.89Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.24Å; L59-K62 PolarHBondContact O-N 3.2Å; L59-L63 WeakPolarHBondContact O-CB 3.41Å; L59-L63 PolarHBondContact O-N 2.92Å |
| 60 | R | 94.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | -179.6 | -71.3 | 169.7 | 175.2 | -96.4 | 5.5 | 112 | L50 D55 S56 E57 K62 L63 H64 E128 S131 | L50-R60 HydrophobicContact CD2-CG 3.75Å; D55-R60 IonicContact OD1-CZ 2.64Å; D55-R60 IonicContact OD1-NE 2.7Å; D55-R60 PolarHBondContact OD1-NE 2.93Å; D55-R60 IonicContact OD1-NH2 3.76Å; D55-R60 PolarHBondContact OD1-NH2 3.47Å; D55-R60 IonicContact OD2-CZ 3.46Å; D55-R60 IonicContact OD2-NE 3.79Å; D55-R60 IonicContact OD2-NH2 3.47Å; D55-R60 PolarHBondContact OD2-NH2 3.2Å; S56-R60 WeakPolarHBondContact O-CG 3.28Å; S56-R60 PolarHBondContact O-N 3.38Å; E57-R60 PolarHBondContact O-N 3.27Å; R60-K62 PolarHBondContact O-N 3.1Å; R60-L63 WeakPolarHBondContact O-CB 3.46Å; R60-L63 PolarHBondContact O-N 3.03Å; R60-H64 PolarHBondContact O-N 3.34Å; R60-E128 IonicContact CZ-OE1 3.9Å; R60-E128 IonicContact CZ-OE2 2.73Å; R60-E128 IonicContact NH1-OE1 3.62Å; R60-E128 PolarHBondContact NH1-OE1 3.36Å; R60-E128 IonicContact NH1-OE2 3.32Å; R60-E128 PolarHBondContact NH1-OE2 2.87Å; R60-S131 PolarHBondContact NH2-OG 3.25Å |
| 61 | Q | 93.7 | Very high | 94.6 | Very high | 85 Ų | 85 | 61.8 Ų | 61.8 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 174 | -178.9 | 59.4 | 24.3 | 0 | 0 | 111.5 | E57 L63 H64 E65 | E57-Q61 WeakPolarHBondContact O-CB 3.4Å; E57-Q61 PolarHBondContact O-N 2.94Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 3.45Å; Q61-H64 PolarHBondContact O-N 3.48Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.11Å; Q61-E65 PolarHBondContact NE2-OE1 3Å; Q61-E65 WeakPolarHBondContact O-CG 3.25Å; Q61-E65 PolarHBondContact O-N 3.01Å |
| 62 | K | 96.8 | Very high | 95.1 | Very high | 115 Ų | 115 | 61.9 Ų | 61.9 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 176.9 | -174.2 | 178.4 | -179.9 | 175.4 | 0 | 112.4 | M46 Q58 L59 R60 T66 | M46-K62 HydrophobicContact SD-CB 4.12Å; M46-K62 HydrophobicContact SD-CD 3.96Å; M46-K62 HydrophobicContact SD-CG 3.76Å; Q58-K62 WeakPolarHBondContact O-CB 3.43Å; Q58-K62 PolarHBondContact O-N 3.13Å; Q58-K62 VanDerWaalsContact O-N 3.08Å; L59-K62 PolarHBondContact O-N 3.2Å; R60-K62 PolarHBondContact O-N 3.1Å; K62-T66 WeakPolarHBondContact O-CB 3.43Å; K62-T66 PolarHBondContact O-N 2.89Å; K62-T66 PolarHBondContact O-OG1 3.32Å |
| 63 | L | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -51.4 | 174.6 | 169.8 | 61.3 | 0 | 0 | 0 | 110.5 | I43 M46 V47 L50 L59 R60 Q61 T66 Q67 | I43-L63 HydrophobicContact CB-CD1 4.26Å; I43-L63 HydrophobicContact CG1-CD1 4.27Å; I43-L63 HydrophobicContact CG2-CD1 3.76Å; M46-L63 HydrophobicContact CB-CB 4.19Å; M46-L63 HydrophobicContact CB-CD1 4.18Å; M46-L63 HydrophobicContact CE-CB 4.21Å; M46-L63 HydrophobicContact CE-CD1 4.1Å; M46-L63 HydrophobicContact SD-CB 4.22Å; V47-L63 HydrophobicContact CG2-CD1 3.82Å; V47-L63 HydrophobicContact CG2-CD2 4Å; L50-L63 HydrophobicContact CD1-CD2 3.7Å; L50-L63 HydrophobicContact CD2-CD2 4.29Å; L50-L63 HydrophobicContact CG-CD2 4.26Å; L59-L63 WeakPolarHBondContact O-CB 3.41Å; L59-L63 PolarHBondContact O-N 2.92Å; R60-L63 WeakPolarHBondContact O-CB 3.46Å; R60-L63 PolarHBondContact O-N 3.03Å; Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 3.45Å; L63-T66 PolarHBondContact O-N 3.11Å; L63-Q67 HydrophobicContact CD1-CG 4.07Å; L63-Q67 WeakPolarHBondContact O-CG 3.48Å; L63-Q67 PolarHBondContact O-N 2.99Å |
| 64 | H | 95 | Very high | 95.7 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 178.5 | 178.5 | -105.5 | 0 | 0 | 0 | 112.2 | R60 Q61 T66 Q67 H68 | R60-H64 PolarHBondContact O-N 3.34Å; Q61-H64 PolarHBondContact O-N 3.48Å; H64-T66 VanDerWaalsContact C-N 3.32Å; H64-T66 PolarHBondContact O-N 3.31Å; H64-Q67 PolarHBondContact O-N 3.13Å; H64-H68 PolarHBondContact O-N 3.44Å |
| 65 | E | 96.5 | Very high | 95.9 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 176 | -73.7 | 171.5 | -171.5 | 0 | 0 | 112.4 | Q61 T69 | Q61-E65 WeakPolarHBondContact CG-OE1 3.11Å; Q61-E65 PolarHBondContact NE2-OE1 3Å; Q61-E65 WeakPolarHBondContact O-CG 3.25Å; Q61-E65 PolarHBondContact O-N 3.01Å; E65-T69 WeakPolarHBondContact O-CB 3.33Å; E65-T69 PolarHBondContact O-N 3.42Å; E65-T69 PolarHBondContact O-OG1 3.35Å |
| 66 | T | 97.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 178.6 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | N39 I43 M46 K62 L63 H64 T70 | N39-T66 HydrophobicContact CB-CG2 3.95Å; I43-T66 HydrophobicContact CD1-CG2 4.09Å; I43-T66 HydrophobicContact CG1-CG2 3.71Å; M46-T66 HydrophobicContact CE-CG2 4.23Å; K62-T66 WeakPolarHBondContact O-CB 3.43Å; K62-T66 PolarHBondContact O-N 2.89Å; K62-T66 PolarHBondContact O-OG1 3.32Å; L63-T66 PolarHBondContact O-N 3.11Å; H64-T66 VanDerWaalsContact C-N 3.32Å; H64-T66 PolarHBondContact O-N 3.31Å; T66-T70 WeakPolarHBondContact O-CB 3.26Å; T66-T70 PolarHBondContact O-N 2.77Å; T66-T70 PolarHBondContact O-OG1 2.86Å |
| 67 | Q | 97 | Very high | 96.4 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -51.5 | 174.8 | -74.9 | 176.1 | -56.2 | 0 | 0 | 111.3 | I43 L63 H64 T69 T70 H71 A124 L183 | I43-Q67 HydrophobicContact CD1-CG 3.9Å; I43-Q67 HydrophobicContact CG1-CG 4.18Å; I43-Q67 HydrophobicContact CG2-CG 4.35Å; L63-Q67 HydrophobicContact CD1-CG 4.07Å; L63-Q67 WeakPolarHBondContact O-CG 3.48Å; L63-Q67 PolarHBondContact O-N 2.99Å; H64-Q67 PolarHBondContact O-N 3.13Å; Q67-T69 PolarHBondContact O-N 2.84Å; Q67-T70 PolarHBondContact O-N 3.2Å; Q67-T70 VanDerWaalsContact O-N 3.1Å; Q67-H71 PolarHBondContact O-N 3.35Å; Q67-A124 VanDerWaalsContact NE2-CB 3.29Å; Q67-L183 VanDerWaalsContact NE2-CD1 3.34Å |
| 68 | H | 95.9 | Very high | 96.7 | Very high | 97 Ų | 97 | 46.2 Ų | 46.2 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 178.9 | -177 | 70.3 | 0 | 0 | 0 | 111.8 | H64 T70 H71 T72 | H64-H68 PolarHBondContact O-N 3.44Å; H68-T70 VanDerWaalsContact C-N 3.26Å; H68-T70 PolarHBondContact O-N 3.4Å; H68-H71 WeakPolarHBondContact O-CB 3.5Å; H68-H71 PolarHBondContact O-N 2.9Å; H68-H71 VanDerWaalsContact O-N 3.14Å; H68-T72 PolarHBondContact O-N 2.72Å; H68-T72 PolarHBondContact O-OG1 3.41Å |
| 69 | T | 97.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 43 Ų | 43 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.5 | -39.9 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | E65 Q67 L73 | E65-T69 WeakPolarHBondContact O-CB 3.33Å; E65-T69 PolarHBondContact O-N 3.42Å; E65-T69 PolarHBondContact O-OG1 3.35Å; Q67-T69 PolarHBondContact O-N 2.84Å; T69-L73 WeakPolarHBondContact O-CB 3.24Å; T69-L73 PolarHBondContact O-N 3.25Å |
| 70 | T | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.5 | -34.9 | 179.3 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | I36 N39 T66 Q67 H68 L73 S74 F117 | I36-T70 HydrophobicContact CB-CG2 4.47Å; I36-T70 HydrophobicContact CG1-CG2 4.45Å; I36-T70 HydrophobicContact CG2-CG2 3.93Å; N39-T70 HydrophobicContact CB-CG2 4.17Å; N39-T70 WeakPolarHBondContact CB-OG1 3.35Å; N39-T70 PolarHBondContact ND2-OG1 3.19Å; T66-T70 WeakPolarHBondContact O-CB 3.26Å; T66-T70 PolarHBondContact O-N 2.77Å; T66-T70 PolarHBondContact O-OG1 2.86Å; Q67-T70 PolarHBondContact O-N 3.2Å; Q67-T70 VanDerWaalsContact O-N 3.1Å; H68-T70 VanDerWaalsContact C-N 3.26Å; H68-T70 PolarHBondContact O-N 3.4Å; T70-L73 PolarHBondContact O-N 3.12Å; T70-S74 WeakPolarHBondContact O-CB 3.18Å; T70-S74 PolarHBondContact O-N 3.13Å; T70-S74 PolarHBondContact O-OG 3.42Å; T70-F117 HydrophobicContact CG2-CD1 3.95Å; T70-F117 HydrophobicContact CG2-CD2 3.61Å; T70-F117 HydrophobicContact CG2-CE1 3.86Å; T70-F117 HydrophobicContact CG2-CE2 3.52Å; T70-F117 HydrophobicContact CG2-CG 3.83Å; T70-F117 HydrophobicContact CG2-CZ 3.65Å |
| 71 | H | 97.2 | Very high | 97 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -54.1 | 174.3 | -179.5 | -107.8 | 0 | 0 | 0 | 111.4 | Q67 H68 L73 S74 Q75 F117 D186 D189 | Q67-H71 PolarHBondContact O-N 3.35Å; H68-H71 WeakPolarHBondContact O-CB 3.5Å; H68-H71 PolarHBondContact O-N 2.9Å; H68-H71 VanDerWaalsContact O-N 3.14Å; H71-L73 VanDerWaalsContact C-N 3.27Å; H71-L73 PolarHBondContact O-N 3.46Å; H71-S74 WeakPolarHBondContact O-CB 3.29Å; H71-S74 PolarHBondContact O-N 3.38Å; H71-Q75 PolarHBondContact CE1-NE2 3.49Å; H71-Q75 VanDerWaalsContact CE1-NE2 3.28Å; H71-Q75 PolarHBondContact O-N 3.44Å; H71-F117 HydrophobicContact CB-CE1 4.4Å; H71-F117 HydrophobicContact CB-CZ 4.34Å; H71-D186 IonicContact ND1-OD1 3.8Å; H71-D189 IonicContact CE1-OD2 2.7Å; H71-D189 PolarHBondContact CE1-OD2 3.2Å; H71-D189 VanDerWaalsContact CE1-OD2 3.25Å; H71-D189 WeakPolarHBondContact NE2-CB 3.46Å; H71-D189 IonicContact NE2-OD2 3.39Å; H71-D189 PolarHBondContact NE2-OD2 2.84Å |
| 72 | T | 97.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 36% | 0.356 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.2 | -39.2 | 175.4 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | H68 S74 Q75 T76 | H68-T72 PolarHBondContact O-N 2.72Å; H68-T72 PolarHBondContact O-OG1 3.41Å; T72-S74 VanDerWaalsContact C-N 3.31Å; T72-S74 PolarHBondContact O-N 3.46Å; T72-Q75 PolarHBondContact O-N 2.94Å; T72-T76 HydrophobicContact CG2-CG2 4.5Å; T72-T76 WeakPolarHBondContact O-CG2 3.39Å; T72-T76 PolarHBondContact O-N 3.06Å; T72-T76 PolarHBondContact O-OG1 3.03Å; T72-T76 VanDerWaalsContact O-OG1 3.05Å |
| 73 | L | 98 | Very high | 97 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 176.4 | -171.4 | 59.9 | 0 | 0 | 0 | 111.8 | Q32 K35 I36 T69 T70 H71 T76 T77 | Q32-L73 HydrophobicContact CB-CD1 3.86Å; Q32-L73 HydrophobicContact CB-CG 4.36Å; Q32-L73 HydrophobicContact CG-CD1 3.75Å; K35-L73 HydrophobicContact CB-CD2 3.53Å; K35-L73 HydrophobicContact CD-CD2 4.47Å; I36-L73 HydrophobicContact CD1-CG 4.14Å; I36-L73 HydrophobicContact CG1-CB 4.19Å; I36-L73 HydrophobicContact CG1-CD2 3.58Å; I36-L73 HydrophobicContact CG1-CG 3.69Å; T69-L73 WeakPolarHBondContact O-CB 3.24Å; T69-L73 PolarHBondContact O-N 3.25Å; T70-L73 PolarHBondContact O-N 3.12Å; H71-L73 VanDerWaalsContact C-N 3.27Å; H71-L73 PolarHBondContact O-N 3.46Å; L73-T76 WeakPolarHBondContact CA-OG1 3.38Å; L73-T76 PolarHBondContact O-OG1 3.36Å; L73-T77 WeakPolarHBondContact O-CB 3.41Å; L73-T77 PolarHBondContact O-N 2.91Å; L73-T77 PolarHBondContact O-OG1 3.46Å |
| 74 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | T70 H71 T72 T77 M78 F110 | T70-S74 WeakPolarHBondContact O-CB 3.18Å; T70-S74 PolarHBondContact O-N 3.13Å; T70-S74 PolarHBondContact O-OG 3.42Å; H71-S74 WeakPolarHBondContact O-CB 3.29Å; H71-S74 PolarHBondContact O-N 3.38Å; T72-S74 VanDerWaalsContact C-N 3.31Å; T72-S74 PolarHBondContact O-N 3.46Å; S74-T77 PolarHBondContact O-N 3.19Å; S74-M78 PolarHBondContact O-N 3.2Å; S74-F110 WeakPolarHBondContact O-CZ 3.49Å |
| 75 | Q | 97.6 | Very high | 96.8 | Very high | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 174.8 | -67.3 | 176.2 | -37.8 | 0 | 0 | 111.7 | H71 T72 T77 M78 E79 I193 | H71-Q75 PolarHBondContact CE1-NE2 3.49Å; H71-Q75 VanDerWaalsContact CE1-NE2 3.28Å; H71-Q75 PolarHBondContact O-N 3.44Å; T72-Q75 PolarHBondContact O-N 2.94Å; Q75-T77 VanDerWaalsContact C-N 3.27Å; Q75-T77 PolarHBondContact O-N 3.35Å; Q75-M78 WeakPolarHBondContact O-CB 3.34Å; Q75-M78 PolarHBondContact O-N 3.43Å; Q75-E79 PolarHBondContact O-N 2.95Å; Q75-I193 HydrophobicContact CG-CD1 4.03Å |
| 76 | T | 97.8 | Very high | 96.6 | Very high | 47 Ų | 47 | 41 Ų | 41 | 29% | 0.288 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.6 | -27.6 | 178.7 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | T72 L73 S80 | T72-T76 HydrophobicContact CG2-CG2 4.5Å; T72-T76 WeakPolarHBondContact O-CG2 3.39Å; T72-T76 PolarHBondContact O-N 3.06Å; T72-T76 PolarHBondContact O-OG1 3.03Å; T72-T76 VanDerWaalsContact O-OG1 3.05Å; L73-T76 WeakPolarHBondContact CA-OG1 3.38Å; L73-T76 PolarHBondContact O-OG1 3.36Å; T76-S80 WeakPolarHBondContact O-CB 3.32Å; T76-S80 PolarHBondContact O-N 3.49Å; T76-S80 PolarHBondContact O-OG 3.45Å |
| 77 | T | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.7 | -45.7 | 172.4 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | V29 Q32 I33 L73 S74 Q75 E79 S80 L81 F110 | V29-T77 HydrophobicContact CG1-CG2 4.23Å; Q32-T77 HydrophobicContact CB-CG2 4.28Å; Q32-T77 WeakPolarHBondContact CB-OG1 3.47Å; I33-T77 HydrophobicContact CG1-CG2 4.07Å; L73-T77 WeakPolarHBondContact O-CB 3.41Å; L73-T77 PolarHBondContact O-N 2.91Å; L73-T77 PolarHBondContact O-OG1 3.46Å; S74-T77 PolarHBondContact O-N 3.19Å; Q75-T77 VanDerWaalsContact C-N 3.27Å; Q75-T77 PolarHBondContact O-N 3.35Å; T77-E79 VanDerWaalsContact C-N 3.33Å; T77-E79 PolarHBondContact O-N 3.29Å; T77-S80 PolarHBondContact O-N 3.46Å; T77-L81 WeakPolarHBondContact O-CB 3.5Å; T77-L81 PolarHBondContact O-N 3.43Å; T77-F110 HydrophobicContact CG2-CD2 3.57Å; T77-F110 HydrophobicContact CG2-CE2 3.61Å; T77-F110 HydrophobicContact CG2-CG 4.08Å; T77-F110 HydrophobicContact CG2-CZ 4.13Å |
| 78 | M | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 175.5 | -175.1 | 64.6 | -150.4 | 0 | 0 | 111.7 | S74 Q75 L81 R82 F110 I193 D196 L197 M200 | S74-M78 PolarHBondContact O-N 3.2Å; Q75-M78 WeakPolarHBondContact O-CB 3.34Å; Q75-M78 PolarHBondContact O-N 3.43Å; M78-L81 PolarHBondContact O-N 2.86Å; M78-R82 HydrophobicContact CE-CG 3.84Å; M78-R82 WeakPolarHBondContact O-CG 3.5Å; M78-R82 PolarHBondContact O-N 3.39Å; M78-F110 HydrophobicContact CB-CE1 4.19Å; M78-F110 HydrophobicContact CB-CZ 4.37Å; M78-F110 HydrophobicContact SD-CE1 4.11Å; M78-I193 HydrophobicContact CB-CG2 4.07Å; M78-I193 HydrophobicContact CG-CG2 4.16Å; M78-I193 HydrophobicContact SD-CG2 4.22Å; M78-D196 HydrophobicContact CE-CB 3.9Å; M78-D196 HydrophobicContact SD-CB 4.43Å; M78-L197 HydrophobicContact CE-CD1 4.42Å; M78-L197 HydrophobicContact SD-CB 4.19Å; M78-L197 HydrophobicContact SD-CD1 3.92Å; M78-M200 HydrophobicContact CE-CB 4.36Å; M78-M200 HydrophobicContact CE-SD 3.91Å |
| 79 | E | 97.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 46.3 Ų | 46.3 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 174.9 | -70.9 | 179.7 | -172 | 0 | 0 | 113 | Q75 T77 L81 R82 K83 | Q75-E79 PolarHBondContact O-N 2.95Å; T77-E79 VanDerWaalsContact C-N 3.33Å; T77-E79 PolarHBondContact O-N 3.29Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-R82 PolarHBondContact O-N 2.78Å; E79-K83 WeakPolarHBondContact O-CG 3.37Å; E79-K83 PolarHBondContact O-N 3.05Å |
| 80 | S | 97.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -36.7 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | Q32 T76 T77 K83 L84 | Q32-S80 PolarHBondContact OE1-OG 2.9Å; T76-S80 WeakPolarHBondContact O-CB 3.32Å; T76-S80 PolarHBondContact O-N 3.49Å; T76-S80 PolarHBondContact O-OG 3.45Å; T77-S80 PolarHBondContact O-N 3.46Å; S80-K83 PolarHBondContact O-N 3.4Å; S80-L84 WeakPolarHBondContact O-CB 3.36Å; S80-L84 PolarHBondContact O-N 3.13Å |
| 81 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 175 | -168.7 | 61.6 | 0 | 0 | 0 | 111.5 | V29 T77 M78 E79 K83 L84 T85 L106 T107 F110 L197 M200 | V29-L81 HydrophobicContact CG1-CD1 4.29Å; T77-L81 WeakPolarHBondContact O-CB 3.5Å; T77-L81 PolarHBondContact O-N 3.43Å; M78-L81 PolarHBondContact O-N 2.86Å; E79-L81 VanDerWaalsContact C-N 3.31Å; L81-K83 VanDerWaalsContact C-N 3.33Å; L81-K83 PolarHBondContact O-N 3Å; L81-L84 HydrophobicContact CD1-CD2 4.24Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.48Å; L81-L84 VanDerWaalsContact O-N 3.14Å; L81-T85 WeakPolarHBondContact O-CG2 3.05Å; L81-T85 PolarHBondContact O-N 3.13Å; L81-T85 PolarHBondContact O-OG1 3.14Å; L81-L106 HydrophobicContact CD1-CB 4.23Å; L81-T107 HydrophobicContact CD2-CG2 4.43Å; L81-F110 HydrophobicContact CD2-CD1 4.05Å; L81-L197 HydrophobicContact CD2-CD1 3.59Å; L81-M200 HydrophobicContact CD2-CE 3.63Å; L81-M200 HydrophobicContact CG-CE 3.73Å; L81-M200 HydrophobicContact CG-SD 4.16Å |
| 82 | R | 95.6 | Very high | 94.4 | Very high | 106 Ų | 106 | 48.7 Ų | 48.7 | 40% | 0.4 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 170.9 | -77.1 | 177.3 | 167.3 | 146.5 | -6.3 | 112.7 | M78 E79 L84 T85 A86 D196 M200 | M78-R82 HydrophobicContact CE-CG 3.84Å; M78-R82 WeakPolarHBondContact O-CG 3.5Å; M78-R82 PolarHBondContact O-N 3.39Å; E79-R82 PolarHBondContact O-N 2.78Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-T85 WeakPolarHBondContact CA-OG1 3.34Å; R82-T85 PolarHBondContact O-N 2.62Å; R82-T85 PolarHBondContact O-OG1 2.96Å; R82-A86 VanDerWaalsContact O-CB 3.26Å; R82-A86 WeakPolarHBondContact O-CB 3.48Å; R82-A86 PolarHBondContact O-N 3.01Å; R82-D196 IonicContact CZ-OD2 3.89Å; R82-D196 IonicContact NH1-OD2 3.56Å; R82-D196 PolarHBondContact NH1-OD2 3.05Å; R82-D196 VanDerWaalsContact NH2-CB 3.26Å; R82-D196 IonicContact NH2-OD1 3.81Å; R82-D196 IonicContact NH2-OD2 3.66Å; R82-D196 PolarHBondContact NH2-OD2 2.96Å; R82-M200 HydrophobicContact CG-SD 4.16Å |
| 83 | K | 95.2 | Very high | 94.1 | Very high | 120 Ų | 120 | 51.3 Ų | 51.3 | 52% | 0.522 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.3 | -71.9 | 171.4 | -175.2 | 169.6 | 0 | 111.1 | L25 E79 S80 L81 T85 A86 L87 | L25-K83 HydrophobicContact CD1-CB 3.99Å; L25-K83 HydrophobicContact CD2-CB 4.15Å; E79-K83 WeakPolarHBondContact O-CG 3.37Å; E79-K83 PolarHBondContact O-N 3.05Å; S80-K83 PolarHBondContact O-N 3.4Å; L81-K83 VanDerWaalsContact C-N 3.33Å; L81-K83 PolarHBondContact O-N 3Å; K83-T85 VanDerWaalsContact C-N 3.34Å; K83-T85 PolarHBondContact O-N 3.1Å; K83-A86 PolarHBondContact O-N 3.29Å; K83-L87 PolarHBondContact O-N 3.43Å |
| 84 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -41 | 178.6 | -178.2 | 66.9 | 0 | 0 | 0 | 111.9 | F22 L25 S80 L81 R82 L87 R103 L106 | F22-L84 HydrophobicContact CD2-CD1 3.48Å; F22-L84 VanDerWaalsContact CD2-CD1 3.48Å; F22-L84 HydrophobicContact CE2-CD1 3.56Å; F22-L84 HydrophobicContact CE2-CG 4.29Å; F22-L84 HydrophobicContact CG-CD1 4.22Å; F22-L84 HydrophobicContact CZ-CD1 4.34Å; L25-L84 HydrophobicContact CB-CB 4.26Å; L25-L84 HydrophobicContact CB-CD1 3.81Å; S80-L84 WeakPolarHBondContact O-CB 3.36Å; S80-L84 PolarHBondContact O-N 3.13Å; L81-L84 HydrophobicContact CD1-CD2 4.24Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 3.48Å; L81-L84 VanDerWaalsContact O-N 3.14Å; R82-L84 VanDerWaalsContact C-N 3.33Å; L84-L87 HydrophobicContact CD1-CD1 4.38Å; L84-R103 HydrophobicContact CD2-CG 4.09Å; L84-R103 HydrophobicContact CG-CG 4.07Å; L84-R103 PolarHBondContact O-NE 2.94Å; L84-R103 PolarHBondContact O-NH2 3.34Å; L84-L106 HydrophobicContact CD2-CD1 3.6Å |
| 85 | T | 91.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.9 | -30.9 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | L81 R82 K83 L87 R103 M200 | L81-T85 WeakPolarHBondContact O-CG2 3.05Å; L81-T85 PolarHBondContact O-N 3.13Å; L81-T85 PolarHBondContact O-OG1 3.14Å; R82-T85 WeakPolarHBondContact CA-OG1 3.34Å; R82-T85 PolarHBondContact O-N 2.62Å; R82-T85 PolarHBondContact O-OG1 2.96Å; K83-T85 VanDerWaalsContact C-N 3.34Å; K83-T85 PolarHBondContact O-N 3.1Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 2.86Å; T85-R103 HydrophobicContact CG2-CG 4.45Å; T85-R103 PolarHBondContact O-NH1 3.41Å; T85-M200 HydrophobicContact CG2-CE 4.22Å; T85-M200 HydrophobicContact CG2-CG 4.41Å; T85-M200 HydrophobicContact CG2-SD 3.91Å |
| 86 | A | 92.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 57 Ų | 57 | 67% | 0.669 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -76.7 | -9.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | R82 K83 | R82-A86 VanDerWaalsContact O-CB 3.26Å; R82-A86 WeakPolarHBondContact O-CB 3.48Å; R82-A86 PolarHBondContact O-N 3.01Å; K83-A86 PolarHBondContact O-N 3.29Å |
| 87 | L | 92.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -60.4 | 139.7 | 176.7 | -75.4 | 177.2 | 0 | 0 | 0 | 111.4 | D21 F22 L25 K83 L84 T85 W99 R103 | D21-L87 HydrophobicContact CB-CD1 4.43Å; D21-L87 HydrophobicContact CB-CD2 4.22Å; F22-L87 VanDerWaalsContact CA-CD1 3.49Å; F22-L87 HydrophobicContact CB-CD1 3.77Å; F22-L87 HydrophobicContact CD2-CD1 4.08Å; F22-L87 HydrophobicContact CG-CD1 4.43Å; L25-L87 HydrophobicContact CD1-CD1 4.01Å; L25-L87 HydrophobicContact CD1-CG 4.3Å; K83-L87 PolarHBondContact O-N 3.43Å; L84-L87 HydrophobicContact CD1-CD1 4.38Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 2.86Å; L87-W99 HydrophobicContact CB-CZ3 4.16Å; L87-W99 HydrophobicContact CD1-CZ3 4.44Å; L87-R103 PolarHBondContact O-NH2 2.9Å |
| 88 | P | 90.5 | Very high | 92.7 | Very high | 67 Ų | 67 | 69.6 Ų | 69.6 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 141.9 | 174.9 | -25.5 | 34.3 | 0 | 0 | 0 | 111.8 | W99 | P88-W99 VanDerWaalsContact O-CZ3 3.27Å; P88-W99 WeakPolarHBondContact O-CZ3 3.49Å |
| 89 | Q | 87.9 | Confident | 92.5 | Very high | 142 Ų | 142 | 70.5 Ų | 70.5 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 135.4 | 176.4 | -69 | -170.9 | 2.2 | 0 | 0 | 110 | Q96 | Q89-Q96 HydrophobicContact CB-CG 4.3Š|
| 90 | P | 89.8 | Confident | 92.2 | Very high | 10 Ų | 10 | 70 Ų | 70 | 7% | 0.065 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -64 | 152.6 | 176.7 | 26.8 | -33.7 | 0 | 0 | 0 | 110 | S92 E95 Q96 W99 | P90-S92 PolarHBondContact O-N 3.34Å; P90-E95 HydrophobicContact CB-CB 3.75Å; P90-E95 HydrophobicContact CG-CB 3.57Å; P90-Q96 HydrophobicContact CG-CB 4.36Å; P90-Q96 HydrophobicContact CG-CG 3.79Å; P90-Q96 WeakPolarHBondContact O-CG 3.43Å; P90-Q96 PolarHBondContact O-NE2 3.2Å; P90-W99 HydrophobicContact CB-CH2 4.46Å; P90-W99 HydrophobicContact CB-CZ2 4.23Å; P90-W99 HydrophobicContact CG-CD2 3.88Å; P90-W99 HydrophobicContact CG-CE3 4.15Å; P90-W99 HydrophobicContact CG-CG 4.22Å; P90-W99 HydrophobicContact CG-CZ2 4.31Å; P90-W99 HydrophobicContact CG-CZ3 4.49Å |
| 91 | P | 85.8 | Confident | 91.9 | Very high | 83 Ų | 83 | 74 Ų | 74 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -67.3 | -27.7 | -176.5 | 28.6 | -36.9 | 0 | 0 | 0 | 112.4 | E15 | E15-P91 HydrophobicContact CG-CG 4.25Š|
| 92 | S | 90.7 | Very high | 91.8 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -84.5 | 126 | -179.5 | -178.5 | 0 | 0 | 0 | 0 | 112 | P90 S94 E95 Q96 | P90-S92 PolarHBondContact O-N 3.34Å; S92-S94 PolarHBondContact O-N 2.9Å; S92-S94 VanDerWaalsContact O-N 3.16Å; S92-S94 PolarHBondContact OG-N 2.98Å; S92-S94 PolarHBondContact OG-OG 2.96Å; S92-E95 WeakPolarHBondContact CB-OE2 3.3Å; S92-E95 PolarHBondContact O-N 3.07Å; S92-Q96 WeakPolarHBondContact O-CG 3.45Å; S92-Q96 PolarHBondContact O-N 2.96Å |
| 93 | V | 91.8 | Very high | 91.7 | Very high | 113 Ų | 113 | 73.3 Ų | 73.3 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.7 | -33.7 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 112 | R97 | V93-R97 PolarHBondContact O-N 3.3Å; V93-R97 VanDerWaalsContact O-N 3.16Å |
| 94 | S | 91.6 | Very high | 91.5 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 52% | 0.524 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | S92 R97 Q98 | S92-S94 PolarHBondContact O-N 2.9Å; S92-S94 VanDerWaalsContact O-N 3.16Å; S92-S94 PolarHBondContact OG-N 2.98Å; S92-S94 PolarHBondContact OG-OG 2.96Å; S94-R97 PolarHBondContact O-N 3.44Å; S94-Q98 WeakPolarHBondContact O-CG 3.42Å; S94-Q98 PolarHBondContact O-N 3.25Å; S94-Q98 VanDerWaalsContact O-N 3.14Å |
| 95 | E | 91.8 | Very high | 91.5 | Very high | 81 Ų | 81 | 78.6 Ų | 78.6 | 38% | 0.379 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 177.5 | -66.8 | 178.5 | 148.6 | 0 | 0 | 110.8 | P90 S92 R97 Q98 W99 | P90-E95 HydrophobicContact CB-CB 3.75Å; P90-E95 HydrophobicContact CG-CB 3.57Å; S92-E95 WeakPolarHBondContact CB-OE2 3.3Å; S92-E95 PolarHBondContact O-N 3.07Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 PolarHBondContact O-N 3.37Å; E95-Q98 PolarHBondContact O-N 3.06Å; E95-Q98 VanDerWaalsContact O-N 3.11Å; E95-W99 WeakPolarHBondContact O-CB 3.37Å; E95-W99 PolarHBondContact O-N 3.04Å |
| 96 | Q | 91.4 | Very high | 91.7 | Very high | 62 Ų | 62 | 77.7 Ų | 77.7 | 29% | 0.29 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 174.9 | -69.6 | 176 | 8.5 | 0 | 0 | 110.9 | Q89 P90 S92 W99 K100 | Q89-Q96 HydrophobicContact CB-CG 4.3Å; P90-Q96 HydrophobicContact CG-CB 4.36Å; P90-Q96 HydrophobicContact CG-CG 3.79Å; P90-Q96 WeakPolarHBondContact O-CG 3.43Å; P90-Q96 PolarHBondContact O-NE2 3.2Å; S92-Q96 WeakPolarHBondContact O-CG 3.45Å; S92-Q96 PolarHBondContact O-N 2.96Å; Q96-W99 PolarHBondContact O-N 2.96Å; Q96-K100 WeakPolarHBondContact O-CB 3.29Å; Q96-K100 PolarHBondContact O-N 3.3Å |
| 97 | R | 91.3 | Very high | 91.8 | Very high | 189 Ų | 189 | 73.9 Ų | 73.9 | 71% | 0.713 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 177 | -173 | 177.7 | -177.8 | 179 | 1.4 | 112.2 | V93 S94 E95 L101 | V93-R97 PolarHBondContact O-N 3.3Å; V93-R97 VanDerWaalsContact O-N 3.16Å; S94-R97 PolarHBondContact O-N 3.44Å; E95-R97 VanDerWaalsContact C-N 3.27Å; E95-R97 PolarHBondContact O-N 3.37Å; R97-L101 HydrophobicContact CG-CD1 4.31Å; R97-L101 WeakPolarHBondContact O-CG 3.48Å; R97-L101 PolarHBondContact O-N 3.23Å |
| 98 | Q | 93 | Very high | 91.8 | Very high | 122 Ų | 122 | 75.6 Ų | 75.6 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | 177.2 | -75 | 177 | -23.6 | 0 | 0 | 111.5 | S94 E95 K100 L101 Q102 | S94-Q98 WeakPolarHBondContact O-CG 3.42Å; S94-Q98 PolarHBondContact O-N 3.25Å; S94-Q98 VanDerWaalsContact O-N 3.14Å; E95-Q98 PolarHBondContact O-N 3.06Å; E95-Q98 VanDerWaalsContact O-N 3.11Å; Q98-K100 VanDerWaalsContact C-N 3.33Å; Q98-K100 PolarHBondContact O-N 3.28Å; Q98-L101 PolarHBondContact O-N 3.34Å; Q98-Q102 WeakPolarHBondContact O-CB 3.21Å; Q98-Q102 PolarHBondContact O-N 3.15Å; Q98-Q102 VanDerWaalsContact O-N 3.08Å |
| 99 | W | 93.6 | Very high | 92 | Very high | 23 Ų | 23 | 75 Ų | 75 | 9% | 0.087 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 179 | -74.9 | 28.5 | 0 | 0 | 0 | 111.3 | H18 F22 L87 P88 P90 E95 Q96 Q102 R103 | H18-W99 HydrophobicContact CB-CH2 4.21Å; F22-W99 HydrophobicContact CB-CD2 4.21Å; F22-W99 HydrophobicContact CB-CE3 4.26Å; F22-W99 HydrophobicContact CB-CH2 3.68Å; F22-W99 HydrophobicContact CB-CZ2 3.6Å; F22-W99 HydrophobicContact CB-CZ3 4Å; F22-W99 AromaticContact CD1-CD1 3.85Å; F22-W99 AromaticContact CD1-CD2 3.96Å; F22-W99 HydrophobicContact CD1-CD2 3.96Å; F22-W99 AromaticContact CD1-CE2 3.73Å; F22-W99 HydrophobicContact CD1-CG 4.07Å; F22-W99 HydrophobicContact CD1-CZ2 4.31Å; F22-W99 AromaticContact CD1-NE1 3.63Å; F22-W99 HydrophobicContact CD2-CB 4.31Å; F22-W99 AromaticContact CD2-CD2 3.32Å; F22-W99 HydrophobicContact CD2-CD2 3.32Å; F22-W99 AromaticContact CD2-CE2 3.83Å; F22-W99 AromaticContact CD2-CE3 3.31Å; F22-W99 HydrophobicContact CD2-CE3 3.31Å; F22-W99 AromaticContact CD2-CG 3.78Å; F22-W99 HydrophobicContact CD2-CG 3.78Å; F22-W99 HydrophobicContact CD2-CH2 4.3Å; F22-W99 HydrophobicContact CD2-CZ2 4.31Å; F22-W99 AromaticContact CD2-CZ3 3.82Å; F22-W99 HydrophobicContact CD2-CZ3 3.82Å; F22-W99 HydrophobicContact CE1-CB 4.39Å; F22-W99 AromaticContact CE1-CD1 3.64Å; F22-W99 HydrophobicContact CE1-CD2 4.19Å; F22-W99 AromaticContact CE1-CG 3.83Å; F22-W99 HydrophobicContact CE1-CG 3.83Å; F22-W99 AromaticContact CE1-NE1 3.92Å; F22-W99 HydrophobicContact CE2-CB 3.62Å; F22-W99 AromaticContact CE2-CD2 3.6Å; F22-W99 HydrophobicContact CE2-CD2 3.6Å; F22-W99 AromaticContact CE2-CE3 3.81Å; F22-W99 HydrophobicContact CE2-CE3 3.81Å; F22-W99 AromaticContact CE2-CG 3.53Å; F22-W99 HydrophobicContact CE2-CG 3.53Å; F22-W99 AromaticContact CG-CD2 3.54Å; F22-W99 HydrophobicContact CG-CD2 3.54Å; F22-W99 AromaticContact CG-CE2 3.49Å; F22-W99 VanDerWaalsContact CG-CE2 3.49Å; F22-W99 AromaticContact CG-CE3 3.84Å; F22-W99 HydrophobicContact CG-CE3 3.84Å; F22-W99 HydrophobicContact CG-CG 4.06Å; F22-W99 HydrophobicContact CG-CH2 4.1Å; F22-W99 AromaticContact CG-CZ2 3.81Å; F22-W99 HydrophobicContact CG-CZ2 3.81Å; F22-W99 HydrophobicContact CG-CZ3 4.1Å; F22-W99 AromaticContact CG-NE1 3.91Å; F22-W99 VanDerWaalsContact CZ-CA 3.49Å; F22-W99 HydrophobicContact CZ-CB 3.7Å; F22-W99 AromaticContact CZ-CD1 3.85Å; F22-W99 HydrophobicContact CZ-CD2 4.06Å; F22-W99 AromaticContact CZ-CG 3.58Å; F22-W99 HydrophobicContact CZ-CG 3.58Å; L87-W99 HydrophobicContact CB-CZ3 4.16Å; L87-W99 HydrophobicContact CD1-CZ3 4.44Å; P88-W99 VanDerWaalsContact O-CZ3 3.27Å; P88-W99 WeakPolarHBondContact O-CZ3 3.49Å; P90-W99 HydrophobicContact CB-CH2 4.46Å; P90-W99 HydrophobicContact CB-CZ2 4.23Å; P90-W99 HydrophobicContact CG-CD2 3.88Å; P90-W99 HydrophobicContact CG-CE3 4.15Å; P90-W99 HydrophobicContact CG-CG 4.22Å; P90-W99 HydrophobicContact CG-CZ2 4.31Å; P90-W99 HydrophobicContact CG-CZ3 4.49Å; E95-W99 WeakPolarHBondContact O-CB 3.37Å; E95-W99 PolarHBondContact O-N 3.04Å; Q96-W99 PolarHBondContact O-N 2.96Å; W99-Q102 PolarHBondContact O-N 3.41Å; W99-R103 VanDerWaalsContact O-CG 3.31Å; W99-R103 WeakPolarHBondContact O-CG 3.43Å; W99-R103 PolarHBondContact O-N 3.41Å |
| 100 | K | 90.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.9 | -53.9 | 174.9 | 179.9 | 169.9 | 175.3 | 164.6 | 0 | 112.1 | Q96 Q98 Q102 R103 E104 | Q96-K100 WeakPolarHBondContact O-CB 3.29Å; Q96-K100 PolarHBondContact O-N 3.3Å; Q98-K100 VanDerWaalsContact C-N 3.33Å; Q98-K100 PolarHBondContact O-N 3.28Å; K100-Q102 PolarHBondContact O-N 2.88Å; K100-R103 PolarHBondContact O-N 2.89Å; K100-R103 VanDerWaalsContact O-N 3.13Å; K100-E104 WeakPolarHBondContact CE-OE1 3.42Å; K100-E104 HydrophobicContact CG-CG 4.4Å; K100-E104 IonicContact NZ-OE1 3.91Å; K100-E104 WeakPolarHBondContact O-CG 3.39Å; K100-E104 PolarHBondContact O-N 3.4Å |
| 101 | L | 91.7 | Very high | 92.6 | Very high | 97 Ų | 97 | 67.8 Ų | 67.8 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 179.7 | -73.4 | 169.7 | 0 | 0 | 0 | 112.6 | R97 Q98 R105 | R97-L101 HydrophobicContact CG-CD1 4.31Å; R97-L101 WeakPolarHBondContact O-CG 3.48Å; R97-L101 PolarHBondContact O-N 3.23Å; Q98-L101 PolarHBondContact O-N 3.34Å; L101-R105 WeakPolarHBondContact O-CB 3.16Å; L101-R105 PolarHBondContact O-N 2.88Å; L101-R105 VanDerWaalsContact O-N 3.07Å |
| 102 | Q | 93.4 | Very high | 93 | Very high | 70 Ų | 70 | 66.9 Ų | 66.9 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -75.4 | -37.3 | 179.9 | -173.4 | 159.7 | 13 | 0 | 0 | 112.3 | F22 T26 Q98 W99 K100 L106 | F22-Q102 HydrophobicContact CE1-CG 4.39Å; F22-Q102 VanDerWaalsContact CE1-OE1 3.28Å; F22-Q102 HydrophobicContact CZ-CB 4.08Å; F22-Q102 HydrophobicContact CZ-CG 4.14Å; T26-Q102 HydrophobicContact CG2-CG 3.77Å; Q98-Q102 WeakPolarHBondContact O-CB 3.21Å; Q98-Q102 PolarHBondContact O-N 3.15Å; Q98-Q102 VanDerWaalsContact O-N 3.08Å; W99-Q102 PolarHBondContact O-N 3.41Å; K100-Q102 PolarHBondContact O-N 2.88Å; Q102-L106 VanDerWaalsContact O-CG 3.28Å; Q102-L106 WeakPolarHBondContact O-CG 3.43Å; Q102-L106 PolarHBondContact O-N 3.2Å; Q102-L106 VanDerWaalsContact O-N 3.08Å |
| 103 | R | 93.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 65.4 Ų | 65.4 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -52.9 | 169.8 | -72.6 | 169.1 | -179.4 | -179.8 | 0.6 | 110.9 | F22 L84 T85 L87 W99 K100 R105 L106 T107 | F22-R103 HydrophobicContact CE2-CG 4.37Å; L84-R103 HydrophobicContact CD2-CG 4.09Å; L84-R103 HydrophobicContact CG-CG 4.07Å; L84-R103 PolarHBondContact O-NE 2.94Å; L84-R103 PolarHBondContact O-NH2 3.34Å; T85-R103 HydrophobicContact CG2-CG 4.45Å; T85-R103 PolarHBondContact O-NH1 3.41Å; L87-R103 PolarHBondContact O-NH2 2.9Å; W99-R103 VanDerWaalsContact O-CG 3.31Å; W99-R103 WeakPolarHBondContact O-CG 3.43Å; W99-R103 PolarHBondContact O-N 3.41Å; K100-R103 PolarHBondContact O-N 2.89Å; K100-R103 VanDerWaalsContact O-N 3.13Å; R103-R105 VanDerWaalsContact C-N 3.29Å; R103-R105 PolarHBondContact O-N 3.29Å; R103-L106 PolarHBondContact O-N 2.93Å; R103-L106 VanDerWaalsContact O-N 3.11Å; R103-T107 WeakPolarHBondContact O-CB 3.45Å; R103-T107 PolarHBondContact O-N 3.47Å; R103-T107 PolarHBondContact O-OG1 3.13Å |
| 104 | E | 91.7 | Very high | 93.4 | Very high | 57 Ų | 57 | 60 Ų | 60 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.1 | -46.5 | 178.3 | -74.2 | 175.8 | 170.8 | 0 | 0 | 111.6 | K100 T107 N108 E206 | K100-E104 WeakPolarHBondContact CE-OE1 3.42Å; K100-E104 HydrophobicContact CG-CG 4.4Å; K100-E104 IonicContact NZ-OE1 3.91Å; K100-E104 WeakPolarHBondContact O-CG 3.39Å; K100-E104 PolarHBondContact O-N 3.4Å; E104-T107 PolarHBondContact O-N 2.99Å; E104-N108 WeakPolarHBondContact O-CB 3.25Å; E104-N108 PolarHBondContact O-N 2.99Å; E104-E206 VanDerWaalsContact CG-CD 3.41Å; E104-E206 HydrophobicContact CG-CG 3.94Å |
| 105 | R | 94 | Very high | 93.5 | Very high | 174 Ų | 174 | 58.6 Ų | 58.6 | 66% | 0.657 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.1 | -50.4 | 177.1 | 179.6 | -177.8 | 171 | 179.7 | 0.9 | 112.1 | L101 R103 T107 N108 D109 | L101-R105 WeakPolarHBondContact O-CB 3.16Å; L101-R105 PolarHBondContact O-N 2.88Å; L101-R105 VanDerWaalsContact O-N 3.07Å; R103-R105 VanDerWaalsContact C-N 3.29Å; R103-R105 PolarHBondContact O-N 3.29Å; R105-T107 VanDerWaalsContact C-N 3.32Å; R105-T107 PolarHBondContact O-N 3.33Å; R105-N108 PolarHBondContact O-N 2.89Å; R105-D109 IonicContact NE-OD2 2.84Å; R105-D109 WeakPolarHBondContact O-CB 3.4Å; R105-D109 VanDerWaalsContact O-CG 3.25Å; R105-D109 PolarHBondContact O-N 3.37Å |
| 106 | L | 95.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | -178.5 | -70.3 | 171.8 | 0 | 0 | 0 | 112 | T26 V29 S30 I33 L81 L84 Q102 R103 D109 F110 | T26-L106 HydrophobicContact CG2-CD1 3.74Å; V29-L106 HydrophobicContact CB-CD1 4.26Å; V29-L106 HydrophobicContact CG1-CB 4.09Å; V29-L106 HydrophobicContact CG1-CD1 4.11Å; V29-L106 HydrophobicContact CG1-CD2 4.12Å; V29-L106 HydrophobicContact CG1-CG 4.34Å; S30-L106 VanDerWaalsContact OG-CD2 3.27Å; S30-L106 WeakPolarHBondContact OG-CD2 3.44Å; I33-L106 HydrophobicContact CD1-CD2 4.15Å; I33-L106 WeakPolarHBondContact CD1-O 3.41Å; L81-L106 HydrophobicContact CD1-CB 4.23Å; L84-L106 HydrophobicContact CD2-CD1 3.6Å; Q102-L106 VanDerWaalsContact O-CG 3.28Å; Q102-L106 WeakPolarHBondContact O-CG 3.43Å; Q102-L106 PolarHBondContact O-N 3.2Å; Q102-L106 VanDerWaalsContact O-N 3.08Å; R103-L106 PolarHBondContact O-N 2.93Å; R103-L106 VanDerWaalsContact O-N 3.11Å; L106-D109 PolarHBondContact O-N 3.23Å; L106-F110 VanDerWaalsContact O-CB 3.25Å; L106-F110 WeakPolarHBondContact O-CB 3.43Å; L106-F110 PolarHBondContact O-N 3.41Å |
| 107 | T | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 111 | L81 R103 E104 R105 F110 S111 L197 M200 V201 I208 I211 | L81-T107 HydrophobicContact CD2-CG2 4.43Å; R103-T107 WeakPolarHBondContact O-CB 3.45Å; R103-T107 PolarHBondContact O-N 3.47Å; R103-T107 PolarHBondContact O-OG1 3.13Å; E104-T107 PolarHBondContact O-N 2.99Å; R105-T107 VanDerWaalsContact C-N 3.32Å; R105-T107 PolarHBondContact O-N 3.33Å; T107-F110 PolarHBondContact O-N 3.4Å; T107-S111 WeakPolarHBondContact O-CB 3.44Å; T107-S111 PolarHBondContact O-N 3.05Å; T107-L197 HydrophobicContact CG2-CD1 3.72Å; T107-L197 HydrophobicContact CG2-CG 4.12Å; T107-M200 HydrophobicContact CG2-CE 4.11Å; T107-V201 HydrophobicContact CG2-CG2 3.43Å; T107-V201 VanDerWaalsContact CG2-CG2 3.43Å; T107-I208 HydrophobicContact CG2-CD1 3.7Å; T107-I211 HydrophobicContact CG2-CD1 3.63Å |
| 108 | N | 92.4 | Very high | 94 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 32% | 0.321 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 176 | -178.5 | 59.2 | 0 | 0 | 0 | 111.9 | E104 R105 F110 S111 V112 I208 S210 | E104-N108 WeakPolarHBondContact O-CB 3.25Å; E104-N108 PolarHBondContact O-N 2.99Å; R105-N108 PolarHBondContact O-N 2.89Å; N108-F110 VanDerWaalsContact C-N 3.28Å; N108-F110 PolarHBondContact O-N 3.36Å; N108-S111 WeakPolarHBondContact O-CB 3.4Å; N108-S111 PolarHBondContact O-N 3.46Å; N108-V112 WeakPolarHBondContact O-CG2 3.38Å; N108-V112 PolarHBondContact O-N 3.14Å; N108-I208 HydrophobicContact CB-CG2 4.42Å; N108-S210 PolarHBondContact OD1-OG 3.17Å |
| 109 | D | 94.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 178 | -71.5 | -12.6 | 0 | 0 | 0 | 110.7 | I33 R105 L106 V112 V113 | I33-D109 HydrophobicContact CD1-CB 4.2Å; I33-D109 HydrophobicContact CG2-CB 4.2Å; R105-D109 IonicContact NE-OD2 2.84Å; R105-D109 WeakPolarHBondContact O-CB 3.4Å; R105-D109 VanDerWaalsContact O-CG 3.25Å; R105-D109 PolarHBondContact O-N 3.37Å; L106-D109 PolarHBondContact O-N 3.23Å; D109-V112 PolarHBondContact O-N 3.44Å; D109-V113 PolarHBondContact O-N 2.96Å; D109-V113 VanDerWaalsContact O-N 3.13Å |
| 110 | F | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 175.4 | -176.8 | -131 | 0 | 0 | 0 | 112.1 | I33 I36 S74 T77 M78 L81 L106 T107 N108 V112 V113 L114 I193 L197 | I33-F110 HydrophobicContact CD1-CB 3.87Å; I33-F110 HydrophobicContact CG1-CB 4.08Å; I33-F110 HydrophobicContact CG1-CD2 4.21Å; I36-F110 HydrophobicContact CD1-CD2 4.39Å; I36-F110 HydrophobicContact CD1-CE2 3.95Å; S74-F110 WeakPolarHBondContact O-CZ 3.49Å; T77-F110 HydrophobicContact CG2-CD2 3.57Å; T77-F110 HydrophobicContact CG2-CE2 3.61Å; T77-F110 HydrophobicContact CG2-CG 4.08Å; T77-F110 HydrophobicContact CG2-CZ 4.13Å; M78-F110 HydrophobicContact CB-CE1 4.19Å; M78-F110 HydrophobicContact CB-CZ 4.37Å; M78-F110 HydrophobicContact SD-CE1 4.11Å; L81-F110 HydrophobicContact CD2-CD1 4.05Å; L106-F110 VanDerWaalsContact O-CB 3.25Å; L106-F110 WeakPolarHBondContact O-CB 3.43Å; L106-F110 PolarHBondContact O-N 3.41Å; T107-F110 PolarHBondContact O-N 3.4Å; N108-F110 VanDerWaalsContact C-N 3.28Å; N108-F110 PolarHBondContact O-N 3.36Å; F110-V112 VanDerWaalsContact C-N 3.31Å; F110-V112 PolarHBondContact O-N 2.98Å; F110-V113 HydrophobicContact CD2-CG2 4.14Å; F110-V113 VanDerWaalsContact O-CG2 3.23Å; F110-V113 WeakPolarHBondContact O-CG2 3.3Å; F110-V113 PolarHBondContact O-N 2.82Å; F110-L114 HydrophobicContact CE1-CD2 4.43Å; F110-L114 HydrophobicContact CZ-CD1 4.46Å; F110-L114 HydrophobicContact CZ-CD2 4.33Å; F110-L114 VanDerWaalsContact O-CB 3.25Å; F110-L114 WeakPolarHBondContact O-CB 3.21Å; F110-L114 PolarHBondContact O-N 3.25Å; F110-I193 HydrophobicContact CE1-CG2 3.84Å; F110-I193 HydrophobicContact CZ-CG2 3.86Å; F110-L197 HydrophobicContact CD1-CD1 3.87Å; F110-L197 HydrophobicContact CD1-CD2 4.13Å; F110-L197 HydrophobicContact CE1-CD1 4.33Å |
| 111 | S | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 177.2 | -174 | 0 | 0 | 0 | 0 | 111.8 | T107 N108 L114 N115 N214 | T107-S111 WeakPolarHBondContact O-CB 3.44Å; T107-S111 PolarHBondContact O-N 3.05Å; N108-S111 WeakPolarHBondContact O-CB 3.4Å; N108-S111 PolarHBondContact O-N 3.46Å; S111-L114 PolarHBondContact O-N 3.37Å; S111-N115 WeakPolarHBondContact O-CB 3.2Å; S111-N115 PolarHBondContact O-N 3.49Å; S111-N214 PolarHBondContact O-ND2 3.1Å; S111-N214 PolarHBondContact OG-ND2 3.12Å |
| 112 | V | 93.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 38% | 0.382 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63 | -48.2 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | N108 D109 F110 L114 N115 N116 | N108-V112 WeakPolarHBondContact O-CG2 3.38Å; N108-V112 PolarHBondContact O-N 3.14Å; D109-V112 PolarHBondContact O-N 3.44Å; F110-V112 VanDerWaalsContact C-N 3.31Å; F110-V112 PolarHBondContact O-N 2.98Å; V112-L114 VanDerWaalsContact C-N 3.34Å; V112-N115 PolarHBondContact O-N 3.28Å; V112-N116 PolarHBondContact O-N 3.12Å; V112-N116 VanDerWaalsContact O-N 3.17Å; V112-N116 PolarHBondContact O-ND2 2.96Å; V112-N116 VanDerWaalsContact O-ND2 3.14Å |
| 113 | V | 95.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.085 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -34 | -179.5 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | I33 I36 D109 F110 N116 F117 | I33-V113 HydrophobicContact CG2-CG1 3.93Å; I33-V113 HydrophobicContact CG2-CG2 3.97Å; I36-V113 HydrophobicContact CB-CG2 4.3Å; I36-V113 HydrophobicContact CG2-CB 4.05Å; I36-V113 HydrophobicContact CG2-CG2 3.91Å; D109-V113 PolarHBondContact O-N 2.96Å; D109-V113 VanDerWaalsContact O-N 3.13Å; F110-V113 HydrophobicContact CD2-CG2 4.14Å; F110-V113 VanDerWaalsContact O-CG2 3.23Å; F110-V113 WeakPolarHBondContact O-CG2 3.3Å; F110-V113 PolarHBondContact O-N 2.82Å; V113-N116 PolarHBondContact O-N 3.2Å; V113-F117 WeakPolarHBondContact O-CB 3.37Å; V113-F117 PolarHBondContact O-N 2.9Å |
| 114 | L | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 177.3 | -168.8 | 66.4 | 0 | 0 | 0 | 111.1 | F110 S111 V112 N116 F117 Q118 V190 I193 F194 | F110-L114 HydrophobicContact CE1-CD2 4.43Å; F110-L114 HydrophobicContact CZ-CD1 4.46Å; F110-L114 HydrophobicContact CZ-CD2 4.33Å; F110-L114 VanDerWaalsContact O-CB 3.25Å; F110-L114 WeakPolarHBondContact O-CB 3.21Å; F110-L114 PolarHBondContact O-N 3.25Å; S111-L114 PolarHBondContact O-N 3.37Å; V112-L114 VanDerWaalsContact C-N 3.34Å; L114-N116 PolarHBondContact O-N 2.88Å; L114-F117 HydrophobicContact CD1-CD1 4.45Å; L114-F117 PolarHBondContact O-N 3.36Å; L114-Q118 WeakPolarHBondContact O-CB 3.39Å; L114-Q118 PolarHBondContact O-N 3.2Å; L114-V190 HydrophobicContact CD1-CG1 3.81Å; L114-V190 HydrophobicContact CD1-CG2 4.31Å; L114-V190 HydrophobicContact CD2-CG1 4.42Å; L114-V190 HydrophobicContact CG-CG1 3.89Å; L114-I193 HydrophobicContact CD2-CB 4.03Å; L114-I193 HydrophobicContact CD2-CG2 3.5Å; L114-I193 VanDerWaalsContact CD2-CG2 3.5Å; L114-F194 HydrophobicContact CB-CE1 4.27Å; L114-F194 HydrophobicContact CB-CE2 4.34Å; L114-F194 HydrophobicContact CB-CZ 3.85Å; L114-F194 HydrophobicContact CD2-CD1 3.99Å; L114-F194 HydrophobicContact CD2-CD2 3.9Å; L114-F194 HydrophobicContact CD2-CE1 3.89Å; L114-F194 HydrophobicContact CD2-CE2 3.83Å; L114-F194 HydrophobicContact CD2-CG 3.99Å; L114-F194 HydrophobicContact CD2-CZ 3.82Å; L114-F194 HydrophobicContact CG-CD2 4.28Å; L114-F194 HydrophobicContact CG-CE1 4.28Å; L114-F194 HydrophobicContact CG-CE2 3.75Å; L114-F194 HydrophobicContact CG-CZ 3.75Å |
| 115 | N | 93.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 24% | 0.235 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 175.9 | -177.9 | 54.2 | 0 | 0 | 0 | 111.1 | S111 V112 F117 Q118 A119 F194 | S111-N115 WeakPolarHBondContact O-CB 3.2Å; S111-N115 PolarHBondContact O-N 3.49Å; V112-N115 PolarHBondContact O-N 3.28Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 3.39Å; N115-Q118 PolarHBondContact O-N 3.47Å; N115-A119 WeakPolarHBondContact O-CB 3.27Å; N115-A119 PolarHBondContact O-N 3.3Å; N115-F194 HydrophobicContact CB-CZ 3.96Å |
| 116 | N | 94 | Very high | 93.5 | Very high | 77 Ų | 77 | 30.5 Ų | 30.5 | 41% | 0.412 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.4 | -66.6 | -33.9 | 0 | 0 | 0 | 111.8 | V40 V112 V113 L114 A119 V120 | V40-N116 HydrophobicContact CG1-CB 3.97Å; V112-N116 PolarHBondContact O-N 3.12Å; V112-N116 VanDerWaalsContact O-N 3.17Å; V112-N116 PolarHBondContact O-ND2 2.96Å; V112-N116 VanDerWaalsContact O-ND2 3.14Å; V113-N116 PolarHBondContact O-N 3.2Å; L114-N116 PolarHBondContact O-N 2.88Å; N116-A119 PolarHBondContact O-N 2.97Å; N116-V120 WeakPolarHBondContact O-CG2 3.35Å; N116-V120 PolarHBondContact O-N 3.01Å; N116-V120 VanDerWaalsContact O-N 3.12Å |
| 117 | F | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 175.9 | 180 | -137.5 | 0 | 0 | 0 | 111.7 | V40 I43 T70 H71 V113 L114 N115 A119 V120 Q121 V190 | V40-F117 HydrophobicContact CG2-CB 3.56Å; V40-F117 HydrophobicContact CG2-CD2 4.03Å; V40-F117 HydrophobicContact CG2-CG 4.16Å; I43-F117 HydrophobicContact CD1-CD2 4.16Å; I43-F117 HydrophobicContact CD1-CE2 3.79Å; T70-F117 HydrophobicContact CG2-CD1 3.95Å; T70-F117 HydrophobicContact CG2-CD2 3.61Å; T70-F117 HydrophobicContact CG2-CE1 3.86Å; T70-F117 HydrophobicContact CG2-CE2 3.52Å; T70-F117 HydrophobicContact CG2-CG 3.83Å; T70-F117 HydrophobicContact CG2-CZ 3.65Å; H71-F117 HydrophobicContact CB-CE1 4.4Å; H71-F117 HydrophobicContact CB-CZ 4.34Å; V113-F117 WeakPolarHBondContact O-CB 3.37Å; V113-F117 PolarHBondContact O-N 2.9Å; L114-F117 HydrophobicContact CD1-CD1 4.45Å; L114-F117 PolarHBondContact O-N 3.36Å; N115-F117 VanDerWaalsContact C-N 3.34Å; N115-F117 PolarHBondContact O-N 3.39Å; F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 3.43Å; F117-V120 HydrophobicContact CD2-CG2 4.19Å; F117-V120 WeakPolarHBondContact O-CG2 3.42Å; F117-V120 PolarHBondContact O-N 3.06Å; F117-Q121 HydrophobicContact CD2-CG 3.98Å; F117-Q121 HydrophobicContact CE1-CG 4.45Å; F117-Q121 HydrophobicContact CE2-CG 3.58Å; F117-Q121 VanDerWaalsContact CZ-CD 3.42Å; F117-Q121 HydrophobicContact CZ-CG 3.85Å; F117-Q121 VanDerWaalsContact CZ-NE2 3.29Å; F117-Q121 WeakPolarHBondContact O-CG 3.28Å; F117-Q121 PolarHBondContact O-N 2.9Å; F117-V190 HydrophobicContact CD1-CG2 4.16Å; F117-V190 HydrophobicContact CE1-CG2 4.05Å |
| 118 | Q | 94.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.8 | -158.7 | -174.3 | 12 | 0 | 0 | 112.1 | L114 N115 V120 Q121 R122 V190 N191 | L114-Q118 WeakPolarHBondContact O-CB 3.39Å; L114-Q118 PolarHBondContact O-N 3.2Å; N115-Q118 PolarHBondContact O-N 3.47Å; Q118-V120 PolarHBondContact O-N 3.02Å; Q118-Q121 PolarHBondContact O-N 2.78Å; Q118-R122 WeakPolarHBondContact O-CD 3.41Å; Q118-R122 VanDerWaalsContact O-CG 3.29Å; Q118-R122 WeakPolarHBondContact O-CG 3.38Å; Q118-R122 PolarHBondContact O-N 2.77Å; Q118-V190 HydrophobicContact CB-CG1 3.91Å; Q118-V190 HydrophobicContact CG-CG1 3.86Å; Q118-N191 PolarHBondContact NE2-OD1 3.18Å |
| 119 | A | 91.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 44% | 0.438 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | N115 N116 F117 R122 L123 | N115-A119 WeakPolarHBondContact O-CB 3.27Å; N115-A119 PolarHBondContact O-N 3.3Å; N116-A119 PolarHBondContact O-N 2.97Å; F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 3.43Å; A119-R122 PolarHBondContact O-N 3.3Å; A119-L123 PolarHBondContact O-N 2.89Å; A119-L123 VanDerWaalsContact O-N 3.13Å |
| 120 | V | 92.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.6 | -31.3 | 178.3 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | V40 I43 Q44 N116 F117 Q118 L123 A124 | V40-V120 HydrophobicContact CG1-CG1 4.13Å; V40-V120 HydrophobicContact CG1-CG2 4.06Å; I43-V120 HydrophobicContact CB-CG2 4.23Å; I43-V120 HydrophobicContact CG2-CB 3.92Å; I43-V120 HydrophobicContact CG2-CG2 3.65Å; Q44-V120 HydrophobicContact CB-CG1 4.05Å; Q44-V120 HydrophobicContact CG-CG1 4.37Å; N116-V120 WeakPolarHBondContact O-CG2 3.35Å; N116-V120 PolarHBondContact O-N 3.01Å; N116-V120 VanDerWaalsContact O-N 3.12Å; F117-V120 HydrophobicContact CD2-CG2 4.19Å; F117-V120 WeakPolarHBondContact O-CG2 3.42Å; F117-V120 PolarHBondContact O-N 3.06Å; Q118-V120 PolarHBondContact O-N 3.02Å; V120-L123 PolarHBondContact O-N 2.76Å; V120-A124 WeakPolarHBondContact O-CB 3.44Å; V120-A124 PolarHBondContact O-N 3.14Å |
| 121 | Q | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 171.3 | -77 | 180 | -55.6 | 0 | 0 | 111.4 | F117 Q118 L123 A124 A125 L183 I187 | F117-Q121 HydrophobicContact CD2-CG 3.98Å; F117-Q121 HydrophobicContact CE1-CG 4.45Å; F117-Q121 HydrophobicContact CE2-CG 3.58Å; F117-Q121 VanDerWaalsContact CZ-CD 3.42Å; F117-Q121 HydrophobicContact CZ-CG 3.85Å; F117-Q121 VanDerWaalsContact CZ-NE2 3.29Å; F117-Q121 WeakPolarHBondContact O-CG 3.28Å; F117-Q121 PolarHBondContact O-N 2.9Å; Q118-Q121 PolarHBondContact O-N 2.78Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 3.01Å; Q121-A124 WeakPolarHBondContact O-CB 3.37Å; Q121-A124 PolarHBondContact O-N 3.42Å; Q121-A125 PolarHBondContact O-N 3.04Å; Q121-L183 HydrophobicContact CB-CD1 3.88Å; Q121-L183 HydrophobicContact CG-CD1 3.91Å; Q121-I187 HydrophobicContact CB-CD1 4.15Å; Q121-I187 HydrophobicContact CB-CG1 3.79Å |
| 122 | R | 91.2 | Very high | 91.2 | Very high | 36 Ų | 36 | 33 Ų | 33 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 176.9 | -69.5 | 162.5 | -176.6 | -104.3 | 8.3 | 111.7 | Q118 A119 A125 Q126 I187 A218 Q221 | Q118-R122 WeakPolarHBondContact O-CD 3.41Å; Q118-R122 VanDerWaalsContact O-CG 3.29Å; Q118-R122 WeakPolarHBondContact O-CG 3.38Å; Q118-R122 PolarHBondContact O-N 2.77Å; A119-R122 PolarHBondContact O-N 3.3Å; R122-A125 PolarHBondContact O-N 3.45Å; R122-Q126 WeakPolarHBondContact O-CG 3.36Å; R122-Q126 PolarHBondContact O-N 3.42Å; R122-I187 HydrophobicContact CG-CD1 4.15Å; R122-A218 PolarHBondContact NH2-O 2.89Å; R122-Q221 PolarHBondContact NH1-O 2.89Å |
| 123 | L | 90.6 | Very high | 90.7 | Very high | 72 Ų | 72 | 31.7 Ų | 31.7 | 38% | 0.377 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64 | -41.1 | 176.4 | -176.7 | 63.7 | 0 | 0 | 0 | 111.9 | V47 A119 V120 Q121 Q126 K127 | V47-L123 HydrophobicContact CG1-CB 4.25Å; V47-L123 HydrophobicContact CG1-CD2 3.66Å; V47-L123 HydrophobicContact CG1-CG 3.59Å; A119-L123 PolarHBondContact O-N 2.89Å; A119-L123 VanDerWaalsContact O-N 3.13Å; V120-L123 PolarHBondContact O-N 2.76Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 3.01Å; L123-Q126 PolarHBondContact O-N 2.98Å; L123-K127 PolarHBondContact O-N 3Å |
| 124 | A | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V47 Q67 V120 Q121 Q126 K127 E128 L183 | V47-A124 HydrophobicContact CG2-CB 3.65Å; Q67-A124 VanDerWaalsContact NE2-CB 3.29Å; V120-A124 WeakPolarHBondContact O-CB 3.44Å; V120-A124 PolarHBondContact O-N 3.14Å; Q121-A124 WeakPolarHBondContact O-CB 3.37Å; Q121-A124 PolarHBondContact O-N 3.42Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; A124-Q126 PolarHBondContact O-N 3.42Å; A124-K127 PolarHBondContact O-N 2.85Å; A124-E128 WeakPolarHBondContact O-CB 3.35Å; A124-E128 WeakPolarHBondContact O-CG 3.44Å; A124-E128 PolarHBondContact O-N 3.17Å; A124-L183 HydrophobicContact CB-CD2 3.89Å |
| 125 | A | 91 | Very high | 89.3 | Confident | 13 Ų | 13 | 40 Ų | 40 | 11% | 0.107 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q121 R122 K127 E128 K129 L183 I187 | Q121-A125 PolarHBondContact O-N 3.04Å; R122-A125 PolarHBondContact O-N 3.45Å; A125-K127 PolarHBondContact O-N 2.94Å; A125-E128 PolarHBondContact O-N 2.85Å; A125-K129 VanDerWaalsContact O-CB 3.26Å; A125-K129 WeakPolarHBondContact O-CB 3.41Å; A125-K129 PolarHBondContact O-N 3.48Å; A125-L183 VanDerWaalsContact CA-CD2 3.5Å; A125-L183 HydrophobicContact CB-CD2 3.59Å; A125-L183 HydrophobicContact CB-CG 4.05Å; A125-L183 VanDerWaalsContact N-CD2 3.31Å; A125-I187 HydrophobicContact CB-CD1 4.38Å |
| 126 | Q | 89.4 | Confident | 88.5 | Confident | 131 Ų | 131 | 38.8 Ų | 38.8 | 61% | 0.612 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61.3 | -44.5 | 176.5 | -73 | 174 | 3.2 | 0 | 0 | 112.2 | R122 L123 A124 A130 | R122-Q126 WeakPolarHBondContact O-CG 3.36Å; R122-Q126 PolarHBondContact O-N 3.42Å; L123-Q126 PolarHBondContact O-N 2.98Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; A124-Q126 PolarHBondContact O-N 3.42Å; Q126-A130 WeakPolarHBondContact O-CB 3.23Å; Q126-A130 PolarHBondContact O-N 2.89Å |
| 127 | K | 88.3 | Confident | 87.6 | Confident | 65 Ų | 65 | 38.7 Ų | 38.7 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.4 | -40.9 | 178.8 | -77.9 | -155.9 | 173.1 | -162.6 | 0 | 112.6 | V47 S48 L50 L123 A124 A125 A130 S131 | V47-K127 HydrophobicContact CG1-CD 4.04Å; V47-K127 VanDerWaalsContact O-CD 3.22Å; V47-K127 WeakPolarHBondContact O-CD 3.29Å; V47-K127 VanDerWaalsContact O-CE 3.3Å; V47-K127 WeakPolarHBondContact O-CE 3.34Å; V47-K127 PolarHBondContact O-NZ 3.4Å; S48-K127 PolarHBondContact O-NZ 3.4Å; L50-K127 HydrophobicContact CB-CB 4.42Å; L50-K127 HydrophobicContact CB-CD 3.82Å; L50-K127 HydrophobicContact CD1-CB 4.06Å; L50-K127 HydrophobicContact CD1-CD 4.41Å; L50-K127 PolarHBondContact O-NZ 2.86Å; L123-K127 PolarHBondContact O-N 3Å; A124-K127 PolarHBondContact O-N 2.85Å; A125-K127 PolarHBondContact O-N 2.94Å; K127-A130 PolarHBondContact O-N 3.21Å; K127-S131 WeakPolarHBondContact O-CB 3.47Å; K127-S131 PolarHBondContact O-N 3.45Å |
| 128 | E | 88.5 | Confident | 86.6 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.1 | -75.7 | -61.5 | 164.1 | 0 | 0 | 111.2 | R60 A124 A125 A130 S131 V132 I180 | R60-E128 IonicContact CZ-OE1 3.9Å; R60-E128 IonicContact CZ-OE2 2.73Å; R60-E128 IonicContact NH1-OE1 3.62Å; R60-E128 PolarHBondContact NH1-OE1 3.36Å; R60-E128 IonicContact NH1-OE2 3.32Å; R60-E128 PolarHBondContact NH1-OE2 2.87Å; A124-E128 WeakPolarHBondContact O-CB 3.35Å; A124-E128 WeakPolarHBondContact O-CG 3.44Å; A124-E128 PolarHBondContact O-N 3.17Å; A125-E128 PolarHBondContact O-N 2.85Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 3.45Å; E128-S131 WeakPolarHBondContact O-CA 3.49Å; E128-S131 WeakPolarHBondContact O-CB 3.45Å; E128-S131 PolarHBondContact O-N 3.38Å; E128-V132 WeakPolarHBondContact O-CG2 3.2Å; E128-V132 PolarHBondContact O-N 3.17Å; E128-I180 HydrophobicContact CB-CD1 3.95Å; E128-I180 HydrophobicContact CB-CG1 3.64Å |
| 129 | K | 88.1 | Confident | 85.5 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 10% | 0.1 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 174.8 | -177.9 | 165 | -176.7 | 170.6 | 0 | 112.2 | A125 S131 V132 L133 Y144 F146 I180 | A125-K129 VanDerWaalsContact O-CB 3.26Å; A125-K129 WeakPolarHBondContact O-CB 3.41Å; A125-K129 PolarHBondContact O-N 3.48Å; K129-S131 VanDerWaalsContact C-N 3.29Å; K129-S131 PolarHBondContact O-N 3.5Å; K129-V132 PolarHBondContact O-N 3.45Å; K129-L133 HydrophobicContact CG-CD1 4.2Å; K129-L133 VanDerWaalsContact O-CG 3.29Å; K129-L133 WeakPolarHBondContact O-CG 3.48Å; K129-L133 PolarHBondContact O-N 3.36Å; K129-Y144 WeakPolarHBondContact CE-OH 3.25Å; K129-F146 HydrophobicContact CB-CZ 4.39Å; K129-F146 HydrophobicContact CD-CD2 4.28Å; K129-F146 HydrophobicContact CD-CE2 3.93Å; K129-F146 HydrophobicContact CD-CZ 4.31Å; K129-F146 HydrophobicContact CG-CD2 4.45Å; K129-F146 HydrophobicContact CG-CE2 3.65Å; K129-F146 HydrophobicContact CG-CZ 3.92Å; K129-I180 HydrophobicContact CB-CD1 4.33Å |
| 130 | A | 86.1 | Confident | 84.4 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 45% | 0.446 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q126 K127 E128 R134 | Q126-A130 WeakPolarHBondContact O-CB 3.23Å; Q126-A130 PolarHBondContact O-N 2.89Å; K127-A130 PolarHBondContact O-N 3.21Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 3.45Å; A130-R134 PolarHBondContact O-N 3.14Å; A130-R134 VanDerWaalsContact O-N 3.13Å |
| 131 | S | 85.4 | Confident | 83.1 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 176.8 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | R60 K127 E128 K129 R134 A135 R176 | R60-S131 PolarHBondContact NH2-OG 3.25Å; K127-S131 WeakPolarHBondContact O-CB 3.47Å; K127-S131 PolarHBondContact O-N 3.45Å; E128-S131 WeakPolarHBondContact O-CA 3.49Å; E128-S131 WeakPolarHBondContact O-CB 3.45Å; E128-S131 PolarHBondContact O-N 3.38Å; K129-S131 VanDerWaalsContact C-N 3.29Å; K129-S131 PolarHBondContact O-N 3.5Å; S131-R134 PolarHBondContact O-N 3.32Å; S131-A135 WeakPolarHBondContact O-CB 3.45Å; S131-A135 PolarHBondContact O-N 2.89Å; S131-R176 PolarHBondContact OG-NH1 3.25Å; S131-R176 VanDerWaalsContact OG-NH1 3.14Å |
| 132 | V | 85.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 177.3 | 166.9 | 0 | 0 | 0 | 0 | 110.9 | E128 K129 R134 A135 R136 P145 F146 I173 R176 E177 I180 | E128-V132 WeakPolarHBondContact O-CG2 3.2Å; E128-V132 PolarHBondContact O-N 3.17Å; K129-V132 PolarHBondContact O-N 3.45Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 2.87Å; V132-A135 PolarHBondContact O-N 3.46Å; V132-R136 PolarHBondContact O-N 2.99Å; V132-P145 HydrophobicContact CG1-CG 3.94Å; V132-F146 HydrophobicContact CG1-CZ 4.43Å; V132-I173 HydrophobicContact CG1-CG2 4.26Å; V132-R176 HydrophobicContact CG2-CB 3.45Å; V132-R176 VanDerWaalsContact CG2-CB 3.45Å; V132-E177 HydrophobicContact CG1-CG 3.81Å; V132-I180 HydrophobicContact CB-CD1 4.31Å; V132-I180 HydrophobicContact CG2-CD1 3.74Å |
| 133 | L | 82 | Confident | 79.9 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 177.2 | -71.5 | 171.6 | 0 | 0 | 0 | 111.8 | K129 A137 Y144 | K129-L133 HydrophobicContact CG-CD1 4.2Å; K129-L133 VanDerWaalsContact O-CG 3.29Å; K129-L133 WeakPolarHBondContact O-CG 3.48Å; K129-L133 PolarHBondContact O-N 3.36Å; L133-A137 PolarHBondContact O-N 2.99Å; L133-A137 VanDerWaalsContact O-N 3.13Å; L133-Y144 HydrophobicContact CD2-CD2 4.49Å; L133-Y144 HydrophobicContact CD2-CE2 3.97Å |
| 134 | R | 82 | Confident | 78.4 | Confident | 163 Ų | 163 | 53.5 Ų | 53.5 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.5 | -47.1 | 174.8 | -173.1 | -177.6 | -63.9 | 166.9 | -0.1 | 111.9 | A130 S131 V132 R136 A137 D138 | A130-R134 PolarHBondContact O-N 3.14Å; A130-R134 VanDerWaalsContact O-N 3.13Å; S131-R134 PolarHBondContact O-N 3.32Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 2.87Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.72Å; R134-A137 PolarHBondContact O-N 3Å; R134-D138 PolarHBondContact O-N 2.68Å |
| 135 | A | 80.9 | Confident | 77 | Confident | 25 Ų | 25 | 54 Ų | 54 | 21% | 0.207 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S131 V132 S139 I173 | S131-A135 WeakPolarHBondContact O-CB 3.45Å; S131-A135 PolarHBondContact O-N 2.89Å; V132-A135 PolarHBondContact O-N 3.46Å; A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.29Å; A135-S139 PolarHBondContact O-N 3.45Å; A135-S139 PolarHBondContact O-OG 3.44Å; A135-I173 HydrophobicContact CB-CD1 3.89Å; A135-I173 HydrophobicContact CB-CG1 3.78Å |
| 136 | R | 75.9 | Confident | 75.8 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 174.8 | -73.5 | -179.3 | 76 | 140.5 | -2.2 | 112.4 | V132 R134 S139 G140 I141 E142 G143 P145 I173 E177 | V132-R136 PolarHBondContact O-N 2.99Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.72Å; R136-S139 PolarHBondContact O-N 2.93Å; R136-G140 PolarHBondContact O-N 3.09Å; R136-G140 VanDerWaalsContact O-N 3.08Å; R136-I141 HydrophobicContact CB-CB 4.28Å; R136-I141 HydrophobicContact CG-CB 4.34Å; R136-I141 HydrophobicContact CG-CD1 4.38Å; R136-I141 PolarHBondContact O-N 2.79Å; R136-E142 PolarHBondContact NH2-O 3.35Å; R136-G143 PolarHBondContact NE-O 2.97Å; R136-G143 PolarHBondContact NH2-O 3.21Å; R136-P145 VanDerWaalsContact NH1-CG 3.26Å; R136-I173 HydrophobicContact CG-CD1 3.99Å; R136-I173 HydrophobicContact CG-CG2 3.78Å; R136-E177 IonicContact CZ-OE1 3.46Å; R136-E177 IonicContact NH1-OE1 3.25Å; R136-E177 PolarHBondContact NH1-OE1 3.37Å |
| 137 | A | 76 | Confident | 74.3 | Confident | 75 Ų | 75 | 55 Ų | 55 | 62% | 0.62 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L133 R134 S139 G140 | L133-A137 PolarHBondContact O-N 2.99Å; L133-A137 VanDerWaalsContact O-N 3.13Å; R134-A137 PolarHBondContact O-N 3Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 3.1Å; A137-G140 PolarHBondContact O-N 2.99Å |
| 138 | D | 75.1 | Confident | 72.5 | Confident | 133 Ų | 133 | 60.6 Ų | 60.6 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.1 | -29.9 | 178 | -67.3 | -18.5 | 0 | 0 | 0 | 112.3 | R134 | R134-D138 PolarHBondContact O-N 2.68Å |
| 139 | S | 71.4 | Confident | 70.5 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -87.1 | -8.8 | -179.6 | -57 | 0 | 0 | 0 | 0 | 114.3 | A135 R136 A137 I141 | A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.29Å; A135-S139 PolarHBondContact O-N 3.45Å; A135-S139 PolarHBondContact O-OG 3.44Å; R136-S139 PolarHBondContact O-N 2.93Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 3.1Å; S139-I141 VanDerWaalsContact C-N 3.33Å |
| 140 | G | 68.3 | Low | 68.4 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 66% | 0.66 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 27.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | R136 A137 | R136-G140 PolarHBondContact O-N 3.09Å; R136-G140 VanDerWaalsContact O-N 3.08Å; A137-G140 PolarHBondContact O-N 2.99Å |
| 141 | I | 64.2 | Low | 66.5 | Low | 35 Ų | 35 | 72 Ų | 72 | 18% | 0.179 | 41% | 0.413 | C | S | . | . | trans | -85.4 | 110.5 | 176.6 | -59.7 | 167.9 | 0 | 0 | 0 | 108.4 | R136 S139 I170 I173 | R136-I141 HydrophobicContact CB-CB 4.28Å; R136-I141 HydrophobicContact CG-CB 4.34Å; R136-I141 HydrophobicContact CG-CD1 4.38Å; R136-I141 PolarHBondContact O-N 2.79Å; S139-I141 VanDerWaalsContact C-N 3.33Å; I141-I170 HydrophobicContact CD1-CG1 3.64Å; I141-I170 HydrophobicContact CG1-CG1 4.41Å; I141-I173 HydrophobicContact CD1-CD1 3.7Å | ||
| 142 | E | 58 | Low | 64.5 | Low | 158 Ų | 158 | 79 Ų | 79 | 74% | 0.738 | 44% | 0.443 | S | S | * | . | trans | -75.5 | 152.8 | 173.4 | -66.9 | -177.6 | 174.2 | 0 | 0 | 111.8 | R136 | R136-E142 PolarHBondContact NH2-O 3.35Š| ||
| 143 | G | 60.4 | Low | 62.7 | Low | 45 Ų | 45 | 84 Ų | 84 | 46% | 0.464 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 98.7 | 156.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R136 | R136-G143 PolarHBondContact NE-O 2.97Å; R136-G143 PolarHBondContact NH2-O 3.21Å |
| 144 | Y | 58.4 | Low | 60.7 | Low | 25 Ų | 25 | 90.3 Ų | 90.3 | 10% | 0.098 | 50% | 0.502 | C | S | . | . | trans | -92.9 | 128.4 | -176.7 | -148.4 | -102.7 | 0 | 0 | 0 | 110.9 | K129 L133 F146 A233 Q236 | K129-Y144 WeakPolarHBondContact CE-OH 3.25Å; L133-Y144 HydrophobicContact CD2-CD2 4.49Å; L133-Y144 HydrophobicContact CD2-CE2 3.97Å; Y144-F146 HydrophobicContact CD1-CB 4.07Å; Y144-F146 HydrophobicContact CD1-CD2 4.04Å; Y144-F146 HydrophobicContact CE1-CB 4.09Å; Y144-F146 AromaticContact CE1-CD2 3.69Å; Y144-F146 HydrophobicContact CE1-CD2 3.69Å; Y144-F146 HydrophobicContact CE1-CG 4.38Å; Y144-F146 PolarHBondContact O-N 2.91Å; Y144-A233 HydrophobicContact CD1-CB 4.47Å; Y144-A233 HydrophobicContact CE1-CB 4.02Å; Y144-A233 HydrophobicContact CE2-CB 4.29Å; Y144-Q236 HydrophobicContact CE2-CB 4.39Å | ||
| 145 | P | 62.9 | Low | 59.2 | Low | 11 Ų | 11 | 86.5 Ų | 86.5 | 7% | 0.071 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.9 | -178.2 | -20.9 | 24.6 | 0 | 0 | 0 | 117.3 | V132 R136 E177 | V132-P145 HydrophobicContact CG1-CG 3.94Å; R136-P145 VanDerWaalsContact NH1-CG 3.26Å; P145-E177 HydrophobicContact CB-CG 3.86Å; P145-E177 VanDerWaalsContact CB-OE1 3.25Å; P145-E177 WeakPolarHBondContact CB-OE1 3.45Å |
| 146 | F | 65.1 | Low | 57.4 | Low | 45 Ų | 45 | 91.5 Ų | 91.5 | 20% | 0.197 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 17.3 | -161.5 | -50.5 | -75.2 | 0 | 0 | 0 | 112.1 | K129 V132 Y144 I180 | K129-F146 HydrophobicContact CB-CZ 4.39Å; K129-F146 HydrophobicContact CD-CD2 4.28Å; K129-F146 HydrophobicContact CD-CE2 3.93Å; K129-F146 HydrophobicContact CD-CZ 4.31Å; K129-F146 HydrophobicContact CG-CD2 4.45Å; K129-F146 HydrophobicContact CG-CE2 3.65Å; K129-F146 HydrophobicContact CG-CZ 3.92Å; V132-F146 HydrophobicContact CG1-CZ 4.43Å; Y144-F146 HydrophobicContact CD1-CB 4.07Å; Y144-F146 HydrophobicContact CD1-CD2 4.04Å; Y144-F146 HydrophobicContact CE1-CB 4.09Å; Y144-F146 AromaticContact CE1-CD2 3.69Å; Y144-F146 HydrophobicContact CE1-CD2 3.69Å; Y144-F146 HydrophobicContact CE1-CG 4.38Å; Y144-F146 PolarHBondContact O-N 2.91Å; F146-I180 HydrophobicContact CD1-CG2 4.34Å; F146-I180 HydrophobicContact CE1-CB 4.05Å; F146-I180 HydrophobicContact CE1-CD1 3.84Å; F146-I180 HydrophobicContact CE1-CG2 3.59Å; F146-I180 HydrophobicContact CZ-CD1 3.63Å; F146-I180 HydrophobicContact CZ-CG2 4.28Å |
| 147 | E | 57.4 | Low | 55.6 | Low | 119 Ų | 119 | 94.6 Ų | 94.6 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -105.8 | 143 | 167.4 | -73.1 | -179.6 | 155.5 | 0 | 0 | 108.7 | E149 | E147-E149 PolarHBondContact O-N 3.2Š|
| 148 | D | 52.3 | Low | 54 | Low | 184 Ų | 184 | 98.1 Ų | 98.1 | 98% | 0.984 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -67.1 | 2.2 | -175.1 | -109 | -21.1 | 0 | 0 | 0 | 114.1 | ||
| 149 | E | 45.1 | Very low | 52.9 | Low | 170 Ų | 170 | 97.4 Ų | 97.4 | 79% | 0.794 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -103.4 | 100.9 | 176.1 | -72.7 | -173.3 | 159.8 | 0 | 0 | 109.8 | E147 P151 | E147-E149 PolarHBondContact O-N 3.2Å; E149-P151 WeakPolarHBondContact O-CD 3.42Å |
| 150 | A | 43.9 | Very low | 52.1 | Low | 93 Ų | 93 | 103.5 Ų | 103.5 | 77% | 0.769 | 59% | 0.591 | S | S | * | * | trans | -57.1 | 122.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E152 | A150-E152 PolarHBondContact O-N 3.43Š| ||
| 151 | P | 46.4 | Very low | 51.4 | Low | 60 Ų | 60 | 107.5 Ų | 107.5 | 39% | 0.39 | 59% | 0.59 | S | S | . | * | trans | -72.8 | 116 | 170 | 27.3 | -28.7 | 0 | 0 | 0 | 108.6 | E149 V153 | E149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-V153 PolarHBondContact O-N 3.32Å | ||
| 152 | E | 43.2 | Very low | 51.2 | Low | 173 Ų | 173 | 109.1 Ų | 109.1 | 81% | 0.808 | 60% | 0.598 | S | S | * | * | trans | -59 | 107.7 | 167.2 | -91.8 | -175.3 | 146.4 | 0 | 0 | 109.1 | A150 H154 | A150-E152 PolarHBondContact O-N 3.43Å; E152-H154 PolarHBondContact O-N 2.99Å | ||
| 153 | V | 48.3 | Very low | 51.2 | Low | 105 Ų | 105 | 105.4 Ų | 105.4 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | trans | -74.4 | 95.4 | 176.4 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | P151 | P151-V153 PolarHBondContact O-N 3.32Š| ||
| 154 | H | 39.8 | Very low | 51.3 | Low | 169 Ų | 169 | 107.8 Ų | 107.8 | 78% | 0.782 | 58% | 0.582 | S | S | * | * | trans | -92.9 | 105 | 164.2 | -87.1 | -41.6 | 0 | 0 | 0 | 110.1 | E152 | E152-H154 PolarHBondContact O-N 2.99Š| ||
| 155 | A | 49.4 | Very low | 51.4 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | trans | -123.3 | 118.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 156 | P | 43.9 | Very low | 51.6 | Low | 131 Ų | 131 | 115.6 Ų | 115.6 | 85% | 0.851 | 62% | 0.617 | S | S | * | * | trans | -76.1 | 153.8 | 174.6 | 16.5 | -7.8 | 0 | 0 | 0 | 112.5 | ||||
| 157 | A | 38.8 | Very low | 51.5 | Low | 84 Ų | 84 | 117.7 Ų | 117.7 | 69% | 0.694 | 63% | 0.63 | S | S | * | * | trans | -64.2 | 121.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 158 | L | 42.1 | Very low | 51.9 | Low | 148 Ų | 148 | 116.3 Ų | 116.3 | 78% | 0.775 | 63% | 0.626 | S | S | * | * | trans | -157.1 | 130.4 | 144.3 | -148.6 | 71.7 | 0 | 0 | 0 | 109 | ||||
| 159 | Q | 50.6 | Low | 52.9 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | trans | 85.8 | 88.6 | 163.3 | -150.7 | 163.4 | -1.9 | 0 | 0 | 116.7 | K161 L162 Q163 | Q159-K161 PolarHBondContact O-N 3.33Å; Q159-K161 VanDerWaalsContact O-N 3.12Å; Q159-L162 HydrophobicContact CB-CB 4.08Å; Q159-L162 HydrophobicContact CB-CD1 3.96Å; Q159-L162 HydrophobicContact CB-CG 4.15Å; Q159-L162 HydrophobicContact CG-CB 4.22Å; Q159-L162 HydrophobicContact CG-CD1 3.91Å; Q159-L162 HydrophobicContact CG-CG 3.86Å; Q159-L162 PolarHBondContact O-N 3.18Å; Q159-Q163 PolarHBondContact O-N 3.4Å | ||
| 160 | E | 55.9 | Low | 54.5 | Low | 155 Ų | 155 | 105.1 Ų | 105.1 | 72% | 0.724 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -49.6 | -36.2 | 179.2 | -168.3 | 175.4 | -178.3 | 0 | 0 | 114 | Q163 I164 | E160-Q163 PolarHBondContact O-N 3.48Å; E160-I164 WeakPolarHBondContact O-CD1 3.5Å; E160-I164 VanDerWaalsContact O-CG1 3.24Å; E160-I164 WeakPolarHBondContact O-CG1 3.23Å; E160-I164 PolarHBondContact O-N 3.14Å |
| 161 | K | 53.1 | Low | 56.2 | Low | 147 Ų | 147 | 106.3 Ų | 106.3 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.5 | -41.4 | 175.1 | -167.4 | -174.3 | 172.4 | -160.2 | 0 | 113.2 | Q159 Q163 I164 E165 | Q159-K161 PolarHBondContact O-N 3.33Å; Q159-K161 VanDerWaalsContact O-N 3.12Å; K161-Q163 VanDerWaalsContact C-N 3.29Å; K161-I164 PolarHBondContact O-N 3.26Å; K161-E165 VanDerWaalsContact CE-OE1 3.29Å; K161-E165 WeakPolarHBondContact CE-OE1 3.5Å; K161-E165 IonicContact NZ-OE1 3.5Å; K161-E165 PolarHBondContact O-N 3.03Å |
| 162 | L | 59.2 | Low | 57.9 | Low | 69 Ų | 69 | 105.4 Ų | 105.4 | 36% | 0.361 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.7 | -32.7 | 174.4 | -72.4 | 179 | 0 | 0 | 0 | 111.1 | Q159 K166 | Q159-L162 HydrophobicContact CB-CB 4.08Å; Q159-L162 HydrophobicContact CB-CD1 3.96Å; Q159-L162 HydrophobicContact CB-CG 4.15Å; Q159-L162 HydrophobicContact CG-CB 4.22Å; Q159-L162 HydrophobicContact CG-CD1 3.91Å; Q159-L162 HydrophobicContact CG-CG 3.86Å; Q159-L162 PolarHBondContact O-N 3.18Å; L162-K166 WeakPolarHBondContact O-CB 3.12Å; L162-K166 WeakPolarHBondContact O-CG 3.33Å; L162-K166 PolarHBondContact O-N 3.4Å |
| 163 | Q | 59.6 | Low | 59.8 | Low | 81 Ų | 81 | 97.6 Ų | 97.6 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 173.7 | -74.4 | 179.6 | -18.9 | 0 | 0 | 111.3 | Q159 E160 K161 N167 | Q159-Q163 PolarHBondContact O-N 3.4Å; E160-Q163 PolarHBondContact O-N 3.48Å; K161-Q163 VanDerWaalsContact C-N 3.29Å; Q163-N167 WeakPolarHBondContact O-CB 3.28Å; Q163-N167 PolarHBondContact O-N 3.41Å; Q163-N167 PolarHBondContact O-ND2 2.87Å; Q163-N167 VanDerWaalsContact O-ND2 3.17Å; Q163-N167 PolarHBondContact O-OD1 3.39Å |
| 164 | I | 61.7 | Low | 61.5 | Low | 95 Ų | 95 | 97.8 Ų | 97.8 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | 175.5 | -67.4 | 161.9 | 0 | 0 | 0 | 111.1 | E160 K161 N167 I168 | E160-I164 WeakPolarHBondContact O-CD1 3.5Å; E160-I164 VanDerWaalsContact O-CG1 3.24Å; E160-I164 WeakPolarHBondContact O-CG1 3.23Å; E160-I164 PolarHBondContact O-N 3.14Å; K161-I164 PolarHBondContact O-N 3.26Å; I164-N167 PolarHBondContact O-N 2.72Å; I164-I168 HydrophobicContact CG2-CD1 3.97Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 3.29Å |
| 165 | E | 61.3 | Low | 63.7 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 178 | -74.1 | 171.8 | -176.5 | 0 | 0 | 111.1 | K161 N167 I168 D169 | K161-E165 VanDerWaalsContact CE-OE1 3.29Å; K161-E165 WeakPolarHBondContact CE-OE1 3.5Å; K161-E165 IonicContact NZ-OE1 3.5Å; K161-E165 PolarHBondContact O-N 3.03Å; E165-N167 VanDerWaalsContact C-N 3.33Å; E165-N167 PolarHBondContact O-N 3.08Å; E165-I168 PolarHBondContact O-N 2.94Å; E165-D169 PolarHBondContact O-N 2.95Å |
| 166 | K | 65.7 | Low | 65.4 | Low | 110 Ų | 110 | 92.7 Ų | 92.7 | 48% | 0.478 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 174.7 | -75.5 | -178.6 | 174.8 | -164.1 | 0 | 113.2 | L162 I168 D169 I170 | L162-K166 WeakPolarHBondContact O-CB 3.12Å; L162-K166 WeakPolarHBondContact O-CG 3.33Å; L162-K166 PolarHBondContact O-N 3.4Å; K166-I168 VanDerWaalsContact C-N 3.34Å; K166-D169 PolarHBondContact O-N 2.9Å; K166-I170 WeakPolarHBondContact O-CB 3.22Å; K166-I170 WeakPolarHBondContact O-CD1 3.18Å; K166-I170 WeakPolarHBondContact O-CG1 3.21Å; K166-I170 PolarHBondContact O-N 3.05Å |
| 167 | N | 64.7 | Low | 67.4 | Low | 90 Ų | 90 | 87.2 Ų | 87.2 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 179.1 | -73 | -16.4 | 0 | 0 | 0 | 111.4 | Q163 I164 E165 Q171 | Q163-N167 WeakPolarHBondContact O-CB 3.28Å; Q163-N167 PolarHBondContact O-N 3.41Å; Q163-N167 PolarHBondContact O-ND2 2.87Å; Q163-N167 VanDerWaalsContact O-ND2 3.17Å; Q163-N167 PolarHBondContact O-OD1 3.39Å; I164-N167 PolarHBondContact O-N 2.72Å; E165-N167 VanDerWaalsContact C-N 3.33Å; E165-N167 PolarHBondContact O-N 3.08Å; N167-Q171 WeakPolarHBondContact O-CG 3.35Å; N167-Q171 PolarHBondContact O-N 3.45Å |
| 168 | I | 64.8 | Low | 69.8 | Low | 90 Ų | 90 | 89.6 Ų | 89.6 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 174.2 | -67.5 | 166.4 | 0 | 0 | 0 | 109.8 | I164 E165 K166 I170 Q171 T172 | I164-I168 HydrophobicContact CG2-CD1 3.97Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 3.29Å; E165-I168 PolarHBondContact O-N 2.94Å; K166-I168 VanDerWaalsContact C-N 3.34Å; I168-I170 VanDerWaalsContact C-N 3.35Å; I168-I170 PolarHBondContact O-N 2.75Å; I168-Q171 PolarHBondContact O-N 3.4Å; I168-T172 PolarHBondContact O-N 3.49Å; I168-T172 PolarHBondContact O-OG1 3.45Å |
| 169 | D | 74.3 | Confident | 72 | Confident | 77 Ų | 77 | 84 Ų | 84 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 178.9 | -68.4 | -27.7 | 0 | 0 | 0 | 111.8 | E165 K166 Q171 T172 I173 | E165-D169 PolarHBondContact O-N 2.95Å; K166-D169 PolarHBondContact O-N 2.9Å; D169-Q171 PolarHBondContact O-N 3.33Å; D169-T172 PolarHBondContact O-N 3.33Å; D169-I173 WeakPolarHBondContact O-CB 3.41Å; D169-I173 WeakPolarHBondContact O-CD1 3.49Å; D169-I173 WeakPolarHBondContact O-CG1 3.4Å; D169-I173 PolarHBondContact O-N 3.02Å |
| 170 | I | 77.4 | Confident | 73.8 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.3 | -70.2 | 162.8 | 0 | 0 | 0 | 111 | I141 K166 I168 I173 Q174 | I141-I170 HydrophobicContact CD1-CG1 3.64Å; I141-I170 HydrophobicContact CG1-CG1 4.41Å; K166-I170 WeakPolarHBondContact O-CB 3.22Å; K166-I170 WeakPolarHBondContact O-CD1 3.18Å; K166-I170 WeakPolarHBondContact O-CG1 3.21Å; K166-I170 PolarHBondContact O-N 3.05Å; I168-I170 VanDerWaalsContact C-N 3.35Å; I168-I170 PolarHBondContact O-N 2.75Å; I170-I173 PolarHBondContact O-N 3.03Å; I170-Q174 HydrophobicContact CG2-CG 4.34Å; I170-Q174 WeakPolarHBondContact O-CB 3.38Å; I170-Q174 VanDerWaalsContact O-CG 3.31Å; I170-Q174 WeakPolarHBondContact O-CG 3.37Å; I170-Q174 PolarHBondContact O-N 2.98Å |
| 171 | Q | 80.3 | Confident | 75.4 | Confident | 117 Ų | 117 | 76.9 Ų | 76.9 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 178.6 | -76.7 | 178.1 | -9 | 0 | 0 | 111.4 | N167 I168 D169 I173 Q174 E175 | N167-Q171 WeakPolarHBondContact O-CG 3.35Å; N167-Q171 PolarHBondContact O-N 3.45Å; I168-Q171 PolarHBondContact O-N 3.4Å; D169-Q171 PolarHBondContact O-N 3.33Å; Q171-I173 VanDerWaalsContact C-N 3.3Å; Q171-I173 PolarHBondContact O-N 2.62Å; Q171-Q174 PolarHBondContact O-N 3.38Å; Q171-E175 WeakPolarHBondContact O-CG 3.34Å; Q171-E175 PolarHBondContact O-N 3.28Å |
| 172 | T | 82.3 | Confident | 77.1 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 176.3 | -59.4 | 0 | 0 | 0 | 0 | 112 | I168 D169 R176 | I168-T172 PolarHBondContact O-N 3.49Å; I168-T172 PolarHBondContact O-OG1 3.45Å; D169-T172 PolarHBondContact O-N 3.33Å; T172-R176 VanDerWaalsContact O-CG 3.27Å; T172-R176 WeakPolarHBondContact O-CG 3.34Å; T172-R176 PolarHBondContact O-N 2.85Å; T172-R176 VanDerWaalsContact O-N 3.1Å |
| 173 | I | 82.1 | Confident | 78.6 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 174.6 | -73.7 | 165.5 | 0 | 0 | 0 | 110.6 | V132 A135 R136 I141 D169 I170 Q171 E175 R176 E177 | V132-I173 HydrophobicContact CG1-CG2 4.26Å; A135-I173 HydrophobicContact CB-CD1 3.89Å; A135-I173 HydrophobicContact CB-CG1 3.78Å; R136-I173 HydrophobicContact CG-CD1 3.99Å; R136-I173 HydrophobicContact CG-CG2 3.78Å; I141-I173 HydrophobicContact CD1-CD1 3.7Å; D169-I173 WeakPolarHBondContact O-CB 3.41Å; D169-I173 WeakPolarHBondContact O-CD1 3.49Å; D169-I173 WeakPolarHBondContact O-CG1 3.4Å; D169-I173 PolarHBondContact O-N 3.02Å; I170-I173 PolarHBondContact O-N 3.03Å; Q171-I173 VanDerWaalsContact C-N 3.3Å; Q171-I173 PolarHBondContact O-N 2.62Å; I173-E175 PolarHBondContact O-N 2.89Å; I173-R176 PolarHBondContact O-N 3.43Å; I173-E177 HydrophobicContact CG2-CG 4.43Å; I173-E177 WeakPolarHBondContact CG2-OE1 3.28Å; I173-E177 WeakPolarHBondContact O-CG 3.48Å; I173-E177 PolarHBondContact O-N 3.02Å |
| 174 | Q | 84.3 | Confident | 80 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 179.1 | -74.2 | 175.9 | -12 | 0 | 0 | 112.5 | I170 Q171 R176 E177 Q178 | I170-Q174 HydrophobicContact CG2-CG 4.34Å; I170-Q174 WeakPolarHBondContact O-CB 3.38Å; I170-Q174 VanDerWaalsContact O-CG 3.31Å; I170-Q174 WeakPolarHBondContact O-CG 3.37Å; I170-Q174 PolarHBondContact O-N 2.98Å; Q171-Q174 PolarHBondContact O-N 3.38Å; Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.19Å; Q174-E177 PolarHBondContact O-N 2.97Å; Q174-Q178 PolarHBondContact O-N 3.18Å |
| 175 | E | 85.8 | Confident | 81.4 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 174.3 | -73.9 | 173.8 | 170.2 | 0 | 0 | 111.1 | Q171 I173 Q178 I179 | Q171-E175 WeakPolarHBondContact O-CG 3.34Å; Q171-E175 PolarHBondContact O-N 3.28Å; I173-E175 PolarHBondContact O-N 2.89Å; E175-Q178 WeakPolarHBondContact O-CB 3.47Å; E175-Q178 PolarHBondContact O-N 2.92Å; E175-I179 WeakPolarHBondContact O-CG1 3.12Å; E175-I179 PolarHBondContact O-N 3.48Å |
| 176 | R | 85.9 | Confident | 82.8 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 14% | 0.143 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 177 | -70.8 | 176.4 | -175.7 | -164.6 | 1.9 | 112.6 | E57 S131 V132 T172 I173 Q174 Q178 I179 I180 | E57-R176 IonicContact OE2-NH2 2.72Å; E57-R176 PolarHBondContact OE2-NH2 3.06Å; S131-R176 PolarHBondContact OG-NH1 3.25Å; S131-R176 VanDerWaalsContact OG-NH1 3.14Å; V132-R176 HydrophobicContact CG2-CB 3.45Å; V132-R176 VanDerWaalsContact CG2-CB 3.45Å; T172-R176 VanDerWaalsContact O-CG 3.27Å; T172-R176 WeakPolarHBondContact O-CG 3.34Å; T172-R176 PolarHBondContact O-N 2.85Å; T172-R176 VanDerWaalsContact O-N 3.1Å; I173-R176 PolarHBondContact O-N 3.43Å; Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.19Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 3.03Å; R176-I179 PolarHBondContact O-N 3.04Å; R176-I180 VanDerWaalsContact O-CG1 3.29Å; R176-I180 WeakPolarHBondContact O-CG1 3.33Å; R176-I180 PolarHBondContact O-N 3.46Å |
| 177 | E | 86.8 | Confident | 84 | Confident | 17 Ų | 17 | 59 Ų | 59 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | 173.3 | -71.5 | 173.3 | -176.3 | 0 | 0 | 111.8 | V132 R136 P145 I173 Q174 I180 R181 | V132-E177 HydrophobicContact CG1-CG 3.81Å; R136-E177 IonicContact CZ-OE1 3.46Å; R136-E177 IonicContact NH1-OE1 3.25Å; R136-E177 PolarHBondContact NH1-OE1 3.37Å; P145-E177 HydrophobicContact CB-CG 3.86Å; P145-E177 VanDerWaalsContact CB-OE1 3.25Å; P145-E177 WeakPolarHBondContact CB-OE1 3.45Å; I173-E177 HydrophobicContact CG2-CG 4.43Å; I173-E177 WeakPolarHBondContact CG2-OE1 3.28Å; I173-E177 WeakPolarHBondContact O-CG 3.48Å; I173-E177 PolarHBondContact O-N 3.02Å; Q174-E177 PolarHBondContact O-N 2.97Å; E177-I180 PolarHBondContact O-N 3.29Å; E177-R181 PolarHBondContact O-N 3.08Å |
| 178 | Q | 88.4 | Confident | 85.3 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 173.8 | -177.5 | 175.7 | -7 | 0 | 0 | 112 | Q174 E175 R176 I180 R181 Q182 | Q174-Q178 PolarHBondContact O-N 3.18Å; E175-Q178 WeakPolarHBondContact O-CB 3.47Å; E175-Q178 PolarHBondContact O-N 2.92Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 3.03Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 3.08Å; Q178-R181 PolarHBondContact O-N 2.88Å; Q178-Q182 PolarHBondContact O-N 3.46Å |
| 179 | I | 87.2 | Confident | 86.7 | Confident | 30 Ų | 30 | 59 Ų | 59 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 174.9 | -70.5 | 166 | 0 | 0 | 0 | 110.9 | E175 R176 Q182 L183 | E175-I179 WeakPolarHBondContact O-CG1 3.12Å; E175-I179 PolarHBondContact O-N 3.48Å; R176-I179 PolarHBondContact O-N 3.04Å; I179-Q182 PolarHBondContact O-N 3.11Å; I179-L183 WeakPolarHBondContact O-CB 3.45Å; I179-L183 PolarHBondContact O-N 3.28Å |
| 180 | I | 88.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 177.7 | -67.5 | 163.4 | 0 | 0 | 0 | 110.8 | E128 K129 V132 F146 R176 E177 Q178 Q182 L183 E184 | E128-I180 HydrophobicContact CB-CD1 3.95Å; E128-I180 HydrophobicContact CB-CG1 3.64Å; K129-I180 HydrophobicContact CB-CD1 4.33Å; V132-I180 HydrophobicContact CB-CD1 4.31Å; V132-I180 HydrophobicContact CG2-CD1 3.74Å; F146-I180 HydrophobicContact CD1-CG2 4.34Å; F146-I180 HydrophobicContact CE1-CB 4.05Å; F146-I180 HydrophobicContact CE1-CD1 3.84Å; F146-I180 HydrophobicContact CE1-CG2 3.59Å; F146-I180 HydrophobicContact CZ-CD1 3.63Å; F146-I180 HydrophobicContact CZ-CG2 4.28Å; R176-I180 VanDerWaalsContact O-CG1 3.29Å; R176-I180 WeakPolarHBondContact O-CG1 3.33Å; R176-I180 PolarHBondContact O-N 3.46Å; E177-I180 PolarHBondContact O-N 3.29Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 3.08Å; I180-Q182 VanDerWaalsContact C-N 3.31Å; I180-Q182 PolarHBondContact O-N 2.91Å; I180-L183 PolarHBondContact O-N 3.02Å; I180-L183 VanDerWaalsContact O-N 3.15Å; I180-E184 HydrophobicContact CG2-CG 4.43Å; I180-E184 WeakPolarHBondContact O-CG 3.37Å; I180-E184 PolarHBondContact O-N 3.46Å |
| 181 | R | 89.6 | Confident | 88.2 | Confident | 122 Ų | 122 | 53.7 Ų | 53.7 | 46% | 0.46 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.6 | -74.7 | -174.7 | -75.2 | -96.7 | -2.5 | 112.1 | E177 Q178 E184 S185 | E177-R181 PolarHBondContact O-N 3.08Å; Q178-R181 PolarHBondContact O-N 2.88Å; R181-E184 PolarHBondContact O-N 3.34Å; R181-S185 PolarHBondContact O-N 2.86Å |
| 182 | Q | 90.4 | Very high | 88.8 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 175.2 | -175.7 | 60.7 | 52.7 | 0 | 0 | 111.3 | Q178 I179 I180 E184 S185 D186 | Q178-Q182 PolarHBondContact O-N 3.46Å; I179-Q182 PolarHBondContact O-N 3.11Å; I180-Q182 VanDerWaalsContact C-N 3.31Å; I180-Q182 PolarHBondContact O-N 2.91Å; Q182-E184 VanDerWaalsContact C-N 3.33Å; Q182-E184 PolarHBondContact O-N 3.35Å; Q182-S185 WeakPolarHBondContact O-CB 3.45Å; Q182-S185 PolarHBondContact O-N 3.23Å; Q182-D186 PolarHBondContact NE2-OD1 3.07Å; Q182-D186 VanDerWaalsContact O-CG 3.31Å; Q182-D186 PolarHBondContact O-N 3.08Å |
| 183 | L | 89 | Confident | 89.4 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 179.6 | -176.3 | 57.1 | 0 | 0 | 0 | 112.3 | Q67 Q121 A124 A125 I179 I180 D186 I187 | Q67-L183 VanDerWaalsContact NE2-CD1 3.34Å; Q121-L183 HydrophobicContact CB-CD1 3.88Å; Q121-L183 HydrophobicContact CG-CD1 3.91Å; A124-L183 HydrophobicContact CB-CD2 3.89Å; A125-L183 VanDerWaalsContact CA-CD2 3.5Å; A125-L183 HydrophobicContact CB-CD2 3.59Å; A125-L183 HydrophobicContact CB-CG 4.05Å; A125-L183 VanDerWaalsContact N-CD2 3.31Å; I179-L183 WeakPolarHBondContact O-CB 3.45Å; I179-L183 PolarHBondContact O-N 3.28Å; I180-L183 PolarHBondContact O-N 3.02Å; I180-L183 VanDerWaalsContact O-N 3.15Å; L183-D186 PolarHBondContact O-N 3.38Å; L183-I187 HydrophobicContact CG-CD1 4.3Å; L183-I187 WeakPolarHBondContact O-CD1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 3.4Å |
| 184 | E | 89 | Confident | 90 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 172.1 | -72.8 | 177.3 | 158.1 | 0 | 0 | 111.4 | I180 R181 Q182 I187 M188 | I180-E184 HydrophobicContact CG2-CG 4.43Å; I180-E184 WeakPolarHBondContact O-CG 3.37Å; I180-E184 PolarHBondContact O-N 3.46Å; R181-E184 PolarHBondContact O-N 3.34Å; Q182-E184 VanDerWaalsContact C-N 3.33Å; Q182-E184 PolarHBondContact O-N 3.35Å; E184-I187 PolarHBondContact O-N 2.97Å; E184-M188 WeakPolarHBondContact O-CG 3.41Å; E184-M188 PolarHBondContact O-N 3.47Å; E184-M188 VanDerWaalsContact O-N 3.14Å |
| 185 | S | 91.3 | Very high | 90.3 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60 | -48.9 | 172.1 | -168.3 | 0 | 0 | 0 | 0 | 112 | R181 Q182 I187 M188 D189 | R181-S185 PolarHBondContact O-N 2.86Å; Q182-S185 WeakPolarHBondContact O-CB 3.45Å; Q182-S185 PolarHBondContact O-N 3.23Å; S185-I187 PolarHBondContact O-N 2.94Å; S185-M188 WeakPolarHBondContact O-CA 3.25Å; S185-M188 WeakPolarHBondContact O-CB 3.3Å; S185-M188 PolarHBondContact O-N 3.43Å; S185-D189 PolarHBondContact O-N 3.03Å |
| 186 | D | 91.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -34 | 179.7 | -67.8 | -4.2 | 0 | 0 | 0 | 111.7 | H71 Q182 L183 D189 V190 | H71-D186 IonicContact ND1-OD1 3.8Å; Q182-D186 PolarHBondContact NE2-OD1 3.07Å; Q182-D186 VanDerWaalsContact O-CG 3.31Å; Q182-D186 PolarHBondContact O-N 3.08Å; L183-D186 PolarHBondContact O-N 3.38Å; D186-D189 PolarHBondContact O-N 3.11Å; D186-V190 WeakPolarHBondContact O-CG2 3.42Å; D186-V190 PolarHBondContact O-N 3.44Å |
| 187 | I | 91.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 174.4 | -71.7 | 163.9 | 0 | 0 | 0 | 110.7 | Q121 R122 A125 L183 E184 S185 V190 N191 | Q121-I187 HydrophobicContact CB-CD1 4.15Å; Q121-I187 HydrophobicContact CB-CG1 3.79Å; R122-I187 HydrophobicContact CG-CD1 4.15Å; A125-I187 HydrophobicContact CB-CD1 4.38Å; L183-I187 HydrophobicContact CG-CD1 4.3Å; L183-I187 WeakPolarHBondContact O-CD1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 3.4Å; E184-I187 PolarHBondContact O-N 2.97Å; S185-I187 PolarHBondContact O-N 2.94Å; I187-V190 PolarHBondContact O-N 2.91Å; I187-N191 PolarHBondContact O-N 3.11Å; I187-N191 PolarHBondContact O-ND2 2.98Å |
| 188 | M | 91.7 | Very high | 91.2 | Very high | 120 Ų | 120 | 45.3 Ų | 45.3 | 59% | 0.591 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.4 | -42.5 | 174.6 | -67.5 | -169.4 | -67.6 | 0 | 0 | 111.7 | E184 S185 V190 N191 Q192 | E184-M188 WeakPolarHBondContact O-CG 3.41Å; E184-M188 PolarHBondContact O-N 3.47Å; E184-M188 VanDerWaalsContact O-N 3.14Å; S185-M188 WeakPolarHBondContact O-CA 3.25Å; S185-M188 WeakPolarHBondContact O-CB 3.3Å; S185-M188 PolarHBondContact O-N 3.43Å; M188-V190 VanDerWaalsContact C-N 3.33Å; M188-V190 PolarHBondContact O-N 3.39Å; M188-N191 VanDerWaalsContact O-CB 3.32Å; M188-N191 WeakPolarHBondContact O-CB 3.37Å; M188-N191 PolarHBondContact O-N 3.32Å; M188-N191 VanDerWaalsContact O-N 3.11Å; M188-Q192 PolarHBondContact O-N 3.33Å; M188-Q192 VanDerWaalsContact O-N 3.08Å |
| 189 | D | 93.5 | Very high | 91.3 | Very high | 59 Ų | 59 | 44 Ų | 44 | 32% | 0.316 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.8 | -75 | -4.3 | 0 | 0 | 0 | 111.5 | H71 S185 D186 N191 Q192 I193 | H71-D189 IonicContact CE1-OD2 2.7Å; H71-D189 PolarHBondContact CE1-OD2 3.2Å; H71-D189 VanDerWaalsContact CE1-OD2 3.25Å; H71-D189 WeakPolarHBondContact NE2-CB 3.46Å; H71-D189 IonicContact NE2-OD2 3.39Å; H71-D189 PolarHBondContact NE2-OD2 2.84Å; S185-D189 PolarHBondContact O-N 3.03Å; D186-D189 PolarHBondContact O-N 3.11Å; D189-N191 VanDerWaalsContact C-N 3.3Å; D189-N191 PolarHBondContact O-N 2.96Å; D189-Q192 WeakPolarHBondContact O-CA 3.32Å; D189-Q192 WeakPolarHBondContact O-CB 3.35Å; D189-Q192 PolarHBondContact O-N 2.93Å; D189-I193 WeakPolarHBondContact O-CG1 3.22Å; D189-I193 PolarHBondContact O-N 2.91Å |
| 190 | V | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 173.6 | 169.2 | 0 | 0 | 0 | 0 | 112.1 | L114 F117 Q118 D186 I187 M188 Q192 I193 F194 | L114-V190 HydrophobicContact CD1-CG1 3.81Å; L114-V190 HydrophobicContact CD1-CG2 4.31Å; L114-V190 HydrophobicContact CD2-CG1 4.42Å; L114-V190 HydrophobicContact CG-CG1 3.89Å; F117-V190 HydrophobicContact CD1-CG2 4.16Å; F117-V190 HydrophobicContact CE1-CG2 4.05Å; Q118-V190 HydrophobicContact CB-CG1 3.91Å; Q118-V190 HydrophobicContact CG-CG1 3.86Å; D186-V190 WeakPolarHBondContact O-CG2 3.42Å; D186-V190 PolarHBondContact O-N 3.44Å; I187-V190 PolarHBondContact O-N 2.91Å; M188-V190 VanDerWaalsContact C-N 3.33Å; M188-V190 PolarHBondContact O-N 3.39Å; V190-Q192 VanDerWaalsContact C-N 3.27Å; V190-Q192 PolarHBondContact O-N 2.96Å; V190-I193 PolarHBondContact O-N 2.86Å; V190-F194 HydrophobicContact CG1-CD2 4.07Å; V190-F194 HydrophobicContact CG1-CE2 3.98Å; V190-F194 WeakPolarHBondContact O-CD2 3.37Å; V190-F194 PolarHBondContact O-N 2.95Å |
| 191 | N | 90.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 172.6 | -65.7 | -50.9 | 0 | 0 | 0 | 111.8 | Q118 I187 M188 D189 F194 K195 A218 I222 | Q118-N191 PolarHBondContact NE2-OD1 3.18Å; I187-N191 PolarHBondContact O-N 3.11Å; I187-N191 PolarHBondContact O-ND2 2.98Å; M188-N191 VanDerWaalsContact O-CB 3.32Å; M188-N191 WeakPolarHBondContact O-CB 3.37Å; M188-N191 PolarHBondContact O-N 3.32Å; M188-N191 VanDerWaalsContact O-N 3.11Å; D189-N191 VanDerWaalsContact C-N 3.3Å; D189-N191 PolarHBondContact O-N 2.96Å; N191-F194 PolarHBondContact O-N 3.39Å; N191-K195 WeakPolarHBondContact O-CG 3.25Å; N191-K195 PolarHBondContact O-N 2.85Å; N191-K195 VanDerWaalsContact O-N 3.11Å; N191-A218 VanDerWaalsContact OD1-CB 3.29Å; N191-A218 WeakPolarHBondContact OD1-CB 3.41Å; N191-I222 HydrophobicContact CB-CD1 4.24Å; N191-I222 WeakPolarHBondContact ND2-CD1 3.46Å |
| 192 | Q | 93.5 | Very high | 91.3 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 43% | 0.425 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -39.5 | 175.4 | -171 | 56.8 | 41.5 | 0 | 0 | 111.4 | M188 D189 V190 F194 K195 D196 | M188-Q192 PolarHBondContact O-N 3.33Å; M188-Q192 VanDerWaalsContact O-N 3.08Å; D189-Q192 WeakPolarHBondContact O-CA 3.32Å; D189-Q192 WeakPolarHBondContact O-CB 3.35Å; D189-Q192 PolarHBondContact O-N 2.93Å; V190-Q192 VanDerWaalsContact C-N 3.27Å; V190-Q192 PolarHBondContact O-N 2.96Å; Q192-F194 VanDerWaalsContact C-N 3.3Å; Q192-F194 PolarHBondContact O-N 2.93Å; Q192-K195 PolarHBondContact O-N 3.48Å; Q192-D196 PolarHBondContact NE2-OD1 3.24Å; Q192-D196 WeakPolarHBondContact O-CB 3.44Å; Q192-D196 VanDerWaalsContact O-CG 3.25Å; Q192-D196 PolarHBondContact O-N 3.4Å |
| 193 | I | 94.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 173.3 | -62.5 | 171.2 | 0 | 0 | 0 | 110.8 | Q75 M78 F110 L114 D189 V190 D196 L197 | Q75-I193 HydrophobicContact CG-CD1 4.03Å; M78-I193 HydrophobicContact CB-CG2 4.07Å; M78-I193 HydrophobicContact CG-CG2 4.16Å; M78-I193 HydrophobicContact SD-CG2 4.22Å; F110-I193 HydrophobicContact CE1-CG2 3.84Å; F110-I193 HydrophobicContact CZ-CG2 3.86Å; L114-I193 HydrophobicContact CD2-CB 4.03Å; L114-I193 HydrophobicContact CD2-CG2 3.5Å; L114-I193 VanDerWaalsContact CD2-CG2 3.5Å; D189-I193 WeakPolarHBondContact O-CG1 3.22Å; D189-I193 PolarHBondContact O-N 2.91Å; V190-I193 PolarHBondContact O-N 2.86Å; I193-D196 PolarHBondContact O-N 3.2Å; I193-L197 VanDerWaalsContact O-CB 3.3Å; I193-L197 WeakPolarHBondContact O-CB 3.45Å; I193-L197 PolarHBondContact O-N 3.14Å |
| 194 | F | 93.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.7 | -88.5 | -61.9 | 0 | 0 | 0 | 113.1 | L114 N115 V190 N191 Q192 D196 L197 A198 N214 V215 A218 | L114-F194 HydrophobicContact CB-CE1 4.27Å; L114-F194 HydrophobicContact CB-CE2 4.34Å; L114-F194 HydrophobicContact CB-CZ 3.85Å; L114-F194 HydrophobicContact CD2-CD1 3.99Å; L114-F194 HydrophobicContact CD2-CD2 3.9Å; L114-F194 HydrophobicContact CD2-CE1 3.89Å; L114-F194 HydrophobicContact CD2-CE2 3.83Å; L114-F194 HydrophobicContact CD2-CG 3.99Å; L114-F194 HydrophobicContact CD2-CZ 3.82Å; L114-F194 HydrophobicContact CG-CD2 4.28Å; L114-F194 HydrophobicContact CG-CE1 4.28Å; L114-F194 HydrophobicContact CG-CE2 3.75Å; L114-F194 HydrophobicContact CG-CZ 3.75Å; N115-F194 HydrophobicContact CB-CZ 3.96Å; V190-F194 HydrophobicContact CG1-CD2 4.07Å; V190-F194 HydrophobicContact CG1-CE2 3.98Å; V190-F194 WeakPolarHBondContact O-CD2 3.37Å; V190-F194 PolarHBondContact O-N 2.95Å; N191-F194 PolarHBondContact O-N 3.39Å; Q192-F194 VanDerWaalsContact C-N 3.3Å; Q192-F194 PolarHBondContact O-N 2.93Å; F194-D196 VanDerWaalsContact C-N 3.35Å; F194-L197 PolarHBondContact O-N 3.38Å; F194-A198 WeakPolarHBondContact O-CB 3.29Å; F194-A198 PolarHBondContact O-N 3.39Å; F194-N214 HydrophobicContact CD1-CB 4.04Å; F194-N214 HydrophobicContact CE1-CB 3.54Å; F194-N214 HydrophobicContact CZ-CB 4.01Å; F194-V215 HydrophobicContact CB-CG2 4.06Å; F194-A218 HydrophobicContact CD2-CB 4.48Å |
| 195 | K | 92.3 | Very high | 90 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.8 | -69.3 | 173.2 | -176.1 | 174.8 | 0 | 111.3 | N191 Q192 L197 A198 L199 | N191-K195 WeakPolarHBondContact O-CG 3.25Å; N191-K195 PolarHBondContact O-N 2.85Å; N191-K195 VanDerWaalsContact O-N 3.11Å; Q192-K195 PolarHBondContact O-N 3.48Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 3.38Å; K195-A198 PolarHBondContact O-N 2.82Å; K195-L199 WeakPolarHBondContact O-CG 3.45Å; K195-L199 PolarHBondContact O-N 3.46Å |
| 196 | D | 93.4 | Very high | 89 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.8 | -76.3 | 6.2 | 0 | 0 | 0 | 111.8 | M78 R82 Q192 I193 F194 M200 | M78-D196 HydrophobicContact CE-CB 3.9Å; M78-D196 HydrophobicContact SD-CB 4.43Å; R82-D196 IonicContact CZ-OD2 3.89Å; R82-D196 IonicContact NH1-OD2 3.56Å; R82-D196 PolarHBondContact NH1-OD2 3.05Å; R82-D196 VanDerWaalsContact NH2-CB 3.26Å; R82-D196 IonicContact NH2-OD1 3.81Å; R82-D196 IonicContact NH2-OD2 3.66Å; R82-D196 PolarHBondContact NH2-OD2 2.96Å; Q192-D196 PolarHBondContact NE2-OD1 3.24Å; Q192-D196 WeakPolarHBondContact O-CB 3.44Å; Q192-D196 VanDerWaalsContact O-CG 3.25Å; Q192-D196 PolarHBondContact O-N 3.4Å; I193-D196 PolarHBondContact O-N 3.2Å; F194-D196 VanDerWaalsContact C-N 3.35Å; D196-M200 WeakPolarHBondContact O-CB 3.44Å; D196-M200 PolarHBondContact O-N 3.42Å; D196-M200 VanDerWaalsContact O-N 3.1Å |
| 197 | L | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 175.8 | -168 | 69.5 | 0 | 0 | 0 | 111.5 | M78 L81 T107 F110 I193 F194 K195 M200 V201 I211 | M78-L197 HydrophobicContact CE-CD1 4.42Å; M78-L197 HydrophobicContact SD-CB 4.19Å; M78-L197 HydrophobicContact SD-CD1 3.92Å; L81-L197 HydrophobicContact CD2-CD1 3.59Å; T107-L197 HydrophobicContact CG2-CD1 3.72Å; T107-L197 HydrophobicContact CG2-CG 4.12Å; F110-L197 HydrophobicContact CD1-CD1 3.87Å; F110-L197 HydrophobicContact CD1-CD2 4.13Å; F110-L197 HydrophobicContact CE1-CD1 4.33Å; I193-L197 VanDerWaalsContact O-CB 3.3Å; I193-L197 WeakPolarHBondContact O-CB 3.45Å; I193-L197 PolarHBondContact O-N 3.14Å; F194-L197 PolarHBondContact O-N 3.38Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 3.38Å; L197-M200 HydrophobicContact CD1-CE 3.72Å; L197-M200 PolarHBondContact O-N 3.01Å; L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 3.13Å; L197-V201 VanDerWaalsContact O-N 3.08Å; L197-I211 HydrophobicContact CD2-CD1 4.1Å; L197-I211 HydrophobicContact CD2-CG1 4.17Å; L197-I211 HydrophobicContact CG-CD1 4.09Å |
| 198 | A | 90.2 | Very high | 86.5 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 24% | 0.24 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F194 K195 M200 V201 H202 I211 V215 | F194-A198 WeakPolarHBondContact O-CB 3.29Å; F194-A198 PolarHBondContact O-N 3.39Å; K195-A198 PolarHBondContact O-N 2.82Å; A198-M200 VanDerWaalsContact C-N 3.34Å; A198-M200 PolarHBondContact O-N 3.47Å; A198-V201 PolarHBondContact O-N 3.43Å; A198-H202 WeakPolarHBondContact O-CB 3.49Å; A198-H202 PolarHBondContact O-N 3.38Å; A198-I211 HydrophobicContact CB-CG2 3.66Å; A198-V215 HydrophobicContact CB-CG2 3.87Å |
| 199 | L | 91.1 | Very high | 85.6 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 56% | 0.555 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.8 | -46.8 | 174.4 | -71.8 | 171.7 | 0 | 0 | 0 | 111.1 | K195 V201 H202 E203 | K195-L199 WeakPolarHBondContact O-CG 3.45Å; K195-L199 PolarHBondContact O-N 3.46Å; L199-V201 VanDerWaalsContact C-N 3.28Å; L199-V201 PolarHBondContact O-N 3.32Å; L199-H202 PolarHBondContact O-N 2.95Å; L199-E203 WeakPolarHBondContact O-CB 3.39Å; L199-E203 WeakPolarHBondContact O-CG 3.34Å; L199-E203 PolarHBondContact O-N 3.1Å |
| 200 | M | 90.6 | Very high | 84.4 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -33.5 | -179.7 | -176.1 | -167 | 73.6 | 0 | 0 | 112.9 | M78 L81 R82 T85 T107 D196 L197 A198 Q204 | M78-M200 HydrophobicContact CE-CB 4.36Å; M78-M200 HydrophobicContact CE-SD 3.91Å; L81-M200 HydrophobicContact CD2-CE 3.63Å; L81-M200 HydrophobicContact CG-CE 3.73Å; L81-M200 HydrophobicContact CG-SD 4.16Å; R82-M200 HydrophobicContact CG-SD 4.16Å; T85-M200 HydrophobicContact CG2-CE 4.22Å; T85-M200 HydrophobicContact CG2-CG 4.41Å; T85-M200 HydrophobicContact CG2-SD 3.91Å; T107-M200 HydrophobicContact CG2-CE 4.11Å; D196-M200 WeakPolarHBondContact O-CB 3.44Å; D196-M200 PolarHBondContact O-N 3.42Å; D196-M200 VanDerWaalsContact O-N 3.1Å; L197-M200 HydrophobicContact CD1-CE 3.72Å; L197-M200 PolarHBondContact O-N 3.01Å; A198-M200 VanDerWaalsContact C-N 3.34Å; A198-M200 PolarHBondContact O-N 3.47Å; M200-Q204 WeakPolarHBondContact O-CG 3.48Å; M200-Q204 PolarHBondContact O-N 2.85Å; M200-Q204 PolarHBondContact O-NE2 3.49Å |
| 201 | V | 87.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.9 | -42.1 | 177.7 | 165.2 | 0 | 0 | 0 | 0 | 111.3 | T107 L197 A198 L199 E203 Q204 G205 E206 I208 I211 | T107-V201 HydrophobicContact CG2-CG2 3.43Å; T107-V201 VanDerWaalsContact CG2-CG2 3.43Å; L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 3.13Å; L197-V201 VanDerWaalsContact O-N 3.08Å; A198-V201 PolarHBondContact O-N 3.43Å; L199-V201 VanDerWaalsContact C-N 3.28Å; L199-V201 PolarHBondContact O-N 3.32Å; V201-E203 PolarHBondContact O-N 2.7Å; V201-Q204 PolarHBondContact O-N 2.92Å; V201-G205 PolarHBondContact O-N 3.14Å; V201-E206 HydrophobicContact CG1-CB 3.89Å; V201-E206 WeakPolarHBondContact CG1-O 3.36Å; V201-E206 PolarHBondContact O-N 2.98Å; V201-E206 VanDerWaalsContact O-N 3.09Å; V201-I208 HydrophobicContact CG1-CB 4.12Å; V201-I208 HydrophobicContact CG1-CD1 3.98Å; V201-I208 HydrophobicContact CG1-CG1 3.87Å; V201-I208 HydrophobicContact CG2-CD1 3.84Å; V201-I211 HydrophobicContact CB-CD1 4.21Å; V201-I211 HydrophobicContact CG1-CD1 4.27Å; V201-I211 HydrophobicContact CG2-CD1 3.54Å |
| 202 | H | 86.4 | Confident | 82 | Confident | 151 Ų | 151 | 58.3 Ų | 58.3 | 70% | 0.699 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 174.3 | -174.1 | 71.1 | 0 | 0 | 0 | 112 | A198 L199 Q204 G205 | A198-H202 WeakPolarHBondContact O-CB 3.49Å; A198-H202 PolarHBondContact O-N 3.38Å; L199-H202 PolarHBondContact O-N 2.95Å; H202-Q204 VanDerWaalsContact C-N 3.26Å; H202-Q204 PolarHBondContact O-N 3.22Å; H202-G205 PolarHBondContact O-N 3.07Å |
| 203 | E | 85.4 | Confident | 81 | Confident | 156 Ų | 156 | 56.7 Ų | 56.7 | 73% | 0.729 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62 | -30.5 | 178.4 | -75.2 | 175.8 | 167.6 | 0 | 0 | 113.4 | L199 V201 G205 | L199-E203 WeakPolarHBondContact O-CB 3.39Å; L199-E203 WeakPolarHBondContact O-CG 3.34Å; L199-E203 PolarHBondContact O-N 3.1Å; V201-E203 PolarHBondContact O-N 2.7Å; E203-G205 VanDerWaalsContact C-N 3.3Å |
| 204 | Q | 78.1 | Confident | 79.9 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 24% | 0.243 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.4 | 177.5 | -73.3 | 174.2 | 87.2 | 0 | 0 | 113.3 | M200 V201 H202 E206 | M200-Q204 WeakPolarHBondContact O-CG 3.48Å; M200-Q204 PolarHBondContact O-N 2.85Å; M200-Q204 PolarHBondContact O-NE2 3.49Å; V201-Q204 PolarHBondContact O-N 2.92Å; H202-Q204 VanDerWaalsContact C-N 3.26Å; H202-Q204 PolarHBondContact O-N 3.22Å; Q204-E206 HydrophobicContact CB-CG 3.92Å; Q204-E206 PolarHBondContact O-N 3.31Å |
| 205 | G | 77.1 | Confident | 78.4 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 26.8 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | V201 H202 E203 | V201-G205 PolarHBondContact O-N 3.14Å; H202-G205 PolarHBondContact O-N 3.07Å; E203-G205 VanDerWaalsContact C-N 3.3Å |
| 206 | E | 71.2 | Confident | 77.2 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | trans | -87.6 | 137.6 | 173.1 | -67.6 | 179.1 | 179.6 | 0 | 0 | 108.3 | E104 V201 Q204 | E104-E206 VanDerWaalsContact CG-CD 3.41Å; E104-E206 HydrophobicContact CG-CG 3.94Å; V201-E206 HydrophobicContact CG1-CB 3.89Å; V201-E206 WeakPolarHBondContact CG1-O 3.36Å; V201-E206 PolarHBondContact O-N 2.98Å; V201-E206 VanDerWaalsContact O-N 3.09Å; Q204-E206 HydrophobicContact CB-CG 3.92Å; Q204-E206 PolarHBondContact O-N 3.31Å | ||
| 207 | V | 63.2 | Low | 75.8 | Confident | 118 Ų | 118 | 58.9 Ų | 58.9 | 72% | 0.715 | 33% | 0.334 | S | S | * | . | trans | -107.1 | 113.7 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 208 | I | 66.9 | Low | 74.2 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | trans | -125.6 | 97.8 | 177.7 | -56.7 | -180 | 0 | 0 | 0 | 108 | T107 N108 V201 S210 I211 | T107-I208 HydrophobicContact CG2-CD1 3.7Å; N108-I208 HydrophobicContact CB-CG2 4.42Å; V201-I208 HydrophobicContact CG1-CB 4.12Å; V201-I208 HydrophobicContact CG1-CD1 3.98Å; V201-I208 HydrophobicContact CG1-CG1 3.87Å; V201-I208 HydrophobicContact CG2-CD1 3.84Å; I208-S210 WeakPolarHBondContact CG2-OG 3.44Å; I208-S210 PolarHBondContact O-N 3.08Å; I208-S210 VanDerWaalsContact O-N 3.1Å; I208-I211 HydrophobicContact CB-CD1 3.69Å; I208-I211 HydrophobicContact CB-CG1 4.1Å; I208-I211 HydrophobicContact CD1-CD1 3.78Å; I208-I211 HydrophobicContact CG1-CD1 4.27Å; I208-I211 HydrophobicContact CG2-CB 4.45Å; I208-I211 HydrophobicContact CG2-CD1 3.66Å; I208-I211 HydrophobicContact CG2-CG1 3.71Å; I208-I211 PolarHBondContact O-N 3.3Å | ||
| 209 | D | 71.5 | Confident | 72.6 | Confident | 123 Ų | 123 | 63 Ų | 63 | 66% | 0.658 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.3 | -31.9 | -178.2 | -59.4 | -19.2 | 0 | 0 | 0 | 113 | I211 A213 | D209-I211 VanDerWaalsContact C-N 3.28Å; D209-I211 PolarHBondContact O-N 3.47Å; D209-A213 WeakPolarHBondContact O-CB 3.35Å; D209-A213 PolarHBondContact O-N 3.26Å |
| 210 | S | 68.9 | Low | 71.1 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.9 | -26.9 | -179.4 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | N108 I208 N214 | N108-S210 PolarHBondContact OD1-OG 3.17Å; I208-S210 WeakPolarHBondContact CG2-OG 3.44Å; I208-S210 PolarHBondContact O-N 3.08Å; I208-S210 VanDerWaalsContact O-N 3.1Å; S210-N214 WeakPolarHBondContact O-CB 3.38Å; S210-N214 PolarHBondContact O-N 2.95Å; S210-N214 VanDerWaalsContact O-N 3.09Å; S210-N214 PolarHBondContact O-ND2 3.34Å; S210-N214 PolarHBondContact O-OD1 3.42Å |
| 211 | I | 66.9 | Low | 69.4 | Low | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -79.5 | -45.2 | -178 | -63.1 | 170 | 0 | 0 | 0 | 110.7 | T107 L197 A198 V201 I208 D209 A213 N214 V215 | T107-I211 HydrophobicContact CG2-CD1 3.63Å; L197-I211 HydrophobicContact CD2-CD1 4.1Å; L197-I211 HydrophobicContact CD2-CG1 4.17Å; L197-I211 HydrophobicContact CG-CD1 4.09Å; A198-I211 HydrophobicContact CB-CG2 3.66Å; V201-I211 HydrophobicContact CB-CD1 4.21Å; V201-I211 HydrophobicContact CG1-CD1 4.27Å; V201-I211 HydrophobicContact CG2-CD1 3.54Å; I208-I211 HydrophobicContact CB-CD1 3.69Å; I208-I211 HydrophobicContact CB-CG1 4.1Å; I208-I211 HydrophobicContact CD1-CD1 3.78Å; I208-I211 HydrophobicContact CG1-CD1 4.27Å; I208-I211 HydrophobicContact CG2-CB 4.45Å; I208-I211 HydrophobicContact CG2-CD1 3.66Å; I208-I211 HydrophobicContact CG2-CG1 3.71Å; I208-I211 PolarHBondContact O-N 3.3Å; D209-I211 VanDerWaalsContact C-N 3.28Å; D209-I211 PolarHBondContact O-N 3.47Å; I211-A213 VanDerWaalsContact C-N 3.34Å; I211-A213 PolarHBondContact O-N 2.94Å; I211-N214 PolarHBondContact O-N 3.36Å; I211-V215 HydrophobicContact CG2-CG2 4.2Å; I211-V215 WeakPolarHBondContact O-CB 3.42Å; I211-V215 VanDerWaalsContact O-CG2 3.22Å; I211-V215 WeakPolarHBondContact O-CG2 3.31Å; I211-V215 PolarHBondContact O-N 2.95Å |
| 212 | E | 66.9 | Low | 67.6 | Low | 123 Ų | 123 | 67.5 Ų | 67.5 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.3 | -47.4 | 175.6 | -63.9 | -175.3 | 162.8 | 0 | 0 | 110.5 | N214 V215 D216 | E212-N214 VanDerWaalsContact C-N 3.32Å; E212-N214 PolarHBondContact O-N 3.18Å; E212-V215 PolarHBondContact O-N 2.95Å; E212-D216 WeakPolarHBondContact O-CB 3.48Å; E212-D216 PolarHBondContact O-N 3.44Å |
| 213 | A | 72.6 | Confident | 66 | Low | 57 Ų | 57 | 65.1 Ų | 65.1 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D209 I211 S217 | D209-A213 WeakPolarHBondContact O-CB 3.35Å; D209-A213 PolarHBondContact O-N 3.26Å; I211-A213 VanDerWaalsContact C-N 3.34Å; I211-A213 PolarHBondContact O-N 2.94Å; A213-S217 WeakPolarHBondContact O-CB 3.35Å; A213-S217 PolarHBondContact O-N 3.41Å |
| 214 | N | 70.7 | Confident | 64.6 | Low | 20 Ų | 20 | 63 Ų | 63 | 11% | 0.107 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.7 | -38.1 | 179.5 | -71.4 | -18.2 | 0 | 0 | 0 | 112.3 | S111 F194 S210 I211 E212 A218 | S111-N214 PolarHBondContact O-ND2 3.1Å; S111-N214 PolarHBondContact OG-ND2 3.12Å; F194-N214 HydrophobicContact CD1-CB 4.04Å; F194-N214 HydrophobicContact CE1-CB 3.54Å; F194-N214 HydrophobicContact CZ-CB 4.01Å; S210-N214 WeakPolarHBondContact O-CB 3.38Å; S210-N214 PolarHBondContact O-N 2.95Å; S210-N214 VanDerWaalsContact O-N 3.09Å; S210-N214 PolarHBondContact O-ND2 3.34Å; S210-N214 PolarHBondContact O-OD1 3.42Å; I211-N214 PolarHBondContact O-N 3.36Å; E212-N214 VanDerWaalsContact C-N 3.32Å; E212-N214 PolarHBondContact O-N 3.18Å; N214-A218 WeakPolarHBondContact O-CB 3.47Å; N214-A218 PolarHBondContact O-N 3.26Å |
| 215 | V | 63 | Low | 63.2 | Low | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | F194 A198 I211 E212 A218 Q219 | F194-V215 HydrophobicContact CB-CG2 4.06Å; A198-V215 HydrophobicContact CB-CG2 3.87Å; I211-V215 HydrophobicContact CG2-CG2 4.2Å; I211-V215 WeakPolarHBondContact O-CB 3.42Å; I211-V215 VanDerWaalsContact O-CG2 3.22Å; I211-V215 WeakPolarHBondContact O-CG2 3.31Å; I211-V215 PolarHBondContact O-N 2.95Å; E212-V215 PolarHBondContact O-N 2.95Å; V215-A218 WeakPolarHBondContact O-CB 3.35Å; V215-A218 PolarHBondContact O-N 3.46Å; V215-Q219 PolarHBondContact O-N 3Å |
| 216 | D | 65.6 | Low | 62 | Low | 104 Ų | 104 | 62.2 Ų | 62.2 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.1 | -44.7 | 177.3 | -74.7 | -13.2 | 0 | 0 | 0 | 111 | E212 Q219 V220 | E212-D216 WeakPolarHBondContact O-CB 3.48Å; E212-D216 PolarHBondContact O-N 3.44Å; D216-Q219 PolarHBondContact O-N 3.26Å; D216-V220 WeakPolarHBondContact O-CB 3.47Å; D216-V220 VanDerWaalsContact O-CG2 3.28Å; D216-V220 WeakPolarHBondContact O-CG2 3.37Å; D216-V220 PolarHBondContact O-N 3.47Å |
| 217 | S | 64.9 | Low | 61.1 | Low | 38 Ų | 38 | 64.9 Ų | 64.9 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | A213 Q219 Q221 | A213-S217 WeakPolarHBondContact O-CB 3.35Å; A213-S217 PolarHBondContact O-N 3.41Å; S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 2.93Å; S217-Q221 WeakPolarHBondContact O-CB 3.21Å; S217-Q221 WeakPolarHBondContact O-CG 3.45Å; S217-Q221 PolarHBondContact O-N 3.33Å; S217-Q221 PolarHBondContact OG-NE2 3.07Å |
| 218 | A | 58.5 | Low | 60.8 | Low | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.5 | -47.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R122 N191 F194 N214 V215 I222 | R122-A218 PolarHBondContact NH2-O 2.89Å; N191-A218 VanDerWaalsContact OD1-CB 3.29Å; N191-A218 WeakPolarHBondContact OD1-CB 3.41Å; F194-A218 HydrophobicContact CD2-CB 4.48Å; N214-A218 WeakPolarHBondContact O-CB 3.47Å; N214-A218 PolarHBondContact O-N 3.26Å; V215-A218 WeakPolarHBondContact O-CB 3.35Å; V215-A218 PolarHBondContact O-N 3.46Å; A218-I222 WeakPolarHBondContact O-CD1 3.37Å; A218-I222 VanDerWaalsContact O-CG1 3.23Å; A218-I222 WeakPolarHBondContact O-CG1 3.48Å; A218-I222 PolarHBondContact O-N 3.41Å |
| 219 | Q | 56.8 | Low | 60.1 | Low | 112 Ų | 112 | 67 Ų | 67 | 52% | 0.523 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -49.9 | 179.7 | -171.2 | 162 | -22.4 | 0 | 0 | 112.7 | V215 D216 S217 Q221 I222 D223 | V215-Q219 PolarHBondContact O-N 3Å; D216-Q219 PolarHBondContact O-N 3.26Å; S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 2.93Å; Q219-Q221 VanDerWaalsContact C-N 3.25Å; Q219-Q221 PolarHBondContact O-N 3.42Å; Q219-I222 WeakPolarHBondContact O-CB 3.43Å; Q219-I222 PolarHBondContact O-N 2.79Å; Q219-I222 VanDerWaalsContact O-N 3.14Å; Q219-D223 PolarHBondContact O-N 3Å |
| 220 | V | 59.6 | Low | 59.1 | Low | 77 Ų | 77 | 66.8 Ų | 66.8 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 179.3 | 170 | 0 | 0 | 0 | 0 | 111.5 | D216 D223 Q224 | D216-V220 WeakPolarHBondContact O-CB 3.47Å; D216-V220 VanDerWaalsContact O-CG2 3.28Å; D216-V220 WeakPolarHBondContact O-CG2 3.37Å; D216-V220 PolarHBondContact O-N 3.47Å; V220-D223 PolarHBondContact O-N 3.02Å; V220-Q224 WeakPolarHBondContact O-CG 2.85Å; V220-Q224 PolarHBondContact O-N 2.88Å |
| 221 | Q | 55.7 | Low | 58.5 | Low | 69 Ų | 69 | 71.8 Ų | 71.8 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -80.8 | -17.8 | -177.8 | -61 | 177.1 | 16.7 | 0 | 0 | 113.5 | R122 S217 Q219 G225 | R122-Q221 PolarHBondContact NH1-O 2.89Å; S217-Q221 WeakPolarHBondContact O-CB 3.21Å; S217-Q221 WeakPolarHBondContact O-CG 3.45Å; S217-Q221 PolarHBondContact O-N 3.33Å; S217-Q221 PolarHBondContact OG-NE2 3.07Å; Q219-Q221 VanDerWaalsContact C-N 3.25Å; Q219-Q221 PolarHBondContact O-N 3.42Å; Q221-G225 PolarHBondContact O-N 2.92Å |
| 222 | I | 50 | Low | 57.8 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 168.6 | -69.6 | 159.7 | 0 | 0 | 0 | 108.9 | N191 A218 Q219 Q224 G225 A226 | N191-I222 HydrophobicContact CB-CD1 4.24Å; N191-I222 WeakPolarHBondContact ND2-CD1 3.46Å; A218-I222 WeakPolarHBondContact O-CD1 3.37Å; A218-I222 VanDerWaalsContact O-CG1 3.23Å; A218-I222 WeakPolarHBondContact O-CG1 3.48Å; A218-I222 PolarHBondContact O-N 3.41Å; Q219-I222 WeakPolarHBondContact O-CB 3.43Å; Q219-I222 PolarHBondContact O-N 2.79Å; Q219-I222 VanDerWaalsContact O-N 3.14Å; I222-Q224 VanDerWaalsContact C-N 3.31Å; I222-Q224 PolarHBondContact O-N 3.42Å; I222-G225 PolarHBondContact O-N 3.32Å; I222-A226 WeakPolarHBondContact O-CB 3.5Å; I222-A226 PolarHBondContact O-N 2.91Å |
| 223 | D | 52.8 | Low | 56.9 | Low | 100 Ų | 100 | 68.3 Ų | 68.3 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 179.8 | -65.1 | -19.5 | 0 | 0 | 0 | 111.4 | Q219 V220 T227 | Q219-D223 PolarHBondContact O-N 3Å; V220-D223 PolarHBondContact O-N 3.02Å; D223-T227 WeakPolarHBondContact O-CB 3.27Å; D223-T227 PolarHBondContact O-N 3.44Å; D223-T227 PolarHBondContact O-OG1 3.3Å |
| 224 | Q | 55.8 | Low | 56 | Low | 113 Ų | 113 | 69.5 Ų | 69.5 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 175.3 | -68.5 | 178.5 | 10.5 | 0 | 0 | 112.4 | V220 I222 T227 Q228 | V220-Q224 WeakPolarHBondContact O-CG 2.85Å; V220-Q224 PolarHBondContact O-N 2.88Å; I222-Q224 VanDerWaalsContact C-N 3.31Å; I222-Q224 PolarHBondContact O-N 3.42Å; Q224-T227 PolarHBondContact O-N 3.16Å; Q224-Q228 WeakPolarHBondContact O-CB 3.26Å; Q224-Q228 VanDerWaalsContact O-CG 3.25Å; Q224-Q228 WeakPolarHBondContact O-CG 3.48Å; Q224-Q228 PolarHBondContact O-N 3.26Å |
| 225 | G | 49.8 | Very low | 55.2 | Low | 31 Ų | 31 | 76.1 Ų | 76.1 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q221 I222 T227 Q228 I229 | Q221-G225 PolarHBondContact O-N 2.92Å; I222-G225 PolarHBondContact O-N 3.32Å; G225-T227 VanDerWaalsContact C-N 3.32Å; G225-T227 PolarHBondContact O-N 3.11Å; G225-Q228 PolarHBondContact O-N 3.35Å; G225-I229 WeakPolarHBondContact O-CB 3.4Å; G225-I229 WeakPolarHBondContact O-CG1 3.16Å; G225-I229 PolarHBondContact O-N 3.16Å |
| 226 | A | 49.9 | Very low | 54.7 | Low | 62 Ų | 62 | 78.5 Ų | 78.5 | 51% | 0.512 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I222 H230 | I222-A226 WeakPolarHBondContact O-CB 3.5Å; I222-A226 PolarHBondContact O-N 2.91Å; A226-H230 WeakPolarHBondContact O-CB 3.44Å; A226-H230 PolarHBondContact O-N 3.48Å |
| 227 | T | 53.9 | Low | 54.1 | Low | 66 Ų | 66 | 77.4 Ų | 77.4 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | -179.8 | -54.5 | 0 | 0 | 0 | 0 | 113 | D223 Q224 G225 H230 R231 | D223-T227 WeakPolarHBondContact O-CB 3.27Å; D223-T227 PolarHBondContact O-N 3.44Å; D223-T227 PolarHBondContact O-OG1 3.3Å; Q224-T227 PolarHBondContact O-N 3.16Å; G225-T227 VanDerWaalsContact C-N 3.32Å; G225-T227 PolarHBondContact O-N 3.11Å; T227-H230 WeakPolarHBondContact O-CB 3.49Å; T227-H230 PolarHBondContact O-N 2.92Å; T227-R231 WeakPolarHBondContact O-CG 3.32Å; T227-R231 PolarHBondContact O-N 3.41Å |
| 228 | Q | 56.5 | Low | 53.5 | Low | 118 Ų | 118 | 81.8 Ų | 81.8 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.7 | -37.4 | 179.3 | -70.4 | -69.2 | -2.3 | 0 | 0 | 111.4 | Q224 G225 H230 R231 A232 | Q224-Q228 WeakPolarHBondContact O-CB 3.26Å; Q224-Q228 VanDerWaalsContact O-CG 3.25Å; Q224-Q228 WeakPolarHBondContact O-CG 3.48Å; Q224-Q228 PolarHBondContact O-N 3.26Å; G225-Q228 PolarHBondContact O-N 3.35Å; Q228-H230 VanDerWaalsContact C-N 3.27Å; Q228-H230 PolarHBondContact O-N 3.28Å; Q228-R231 PolarHBondContact O-N 3.09Å; Q228-A232 VanDerWaalsContact O-CB 3.24Å; Q228-A232 WeakPolarHBondContact O-CB 3.46Å; Q228-A232 PolarHBondContact O-N 3.06Å |
| 229 | I | 51.6 | Low | 53.3 | Low | 62 Ų | 62 | 87.3 Ų | 87.3 | 32% | 0.318 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.2 | -45 | 170.2 | -71 | 169.9 | 0 | 0 | 0 | 109.8 | G225 A233 | G225-I229 WeakPolarHBondContact O-CB 3.4Å; G225-I229 WeakPolarHBondContact O-CG1 3.16Å; G225-I229 PolarHBondContact O-N 3.16Å; I229-A233 WeakPolarHBondContact O-CB 3.41Å; I229-A233 PolarHBondContact O-N 2.9Å |
| 230 | H | 50.7 | Low | 53 | Low | 119 Ų | 119 | 87.2 Ų | 87.2 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 179.2 | -155.3 | 66.2 | 0 | 0 | 0 | 113 | A226 T227 Q228 Q234 | A226-H230 WeakPolarHBondContact O-CB 3.44Å; A226-H230 PolarHBondContact O-N 3.48Å; T227-H230 WeakPolarHBondContact O-CB 3.49Å; T227-H230 PolarHBondContact O-N 2.92Å; Q228-H230 VanDerWaalsContact C-N 3.27Å; Q228-H230 PolarHBondContact O-N 3.28Å; H230-Q234 PolarHBondContact CD2-NE2 3.08Å; H230-Q234 WeakPolarHBondContact O-CG 3.49Å; H230-Q234 PolarHBondContact O-N 3.48Å; H230-Q234 VanDerWaalsContact O-N 3.14Å |
| 231 | R | 57.3 | Low | 52.6 | Low | 133 Ų | 133 | 89.8 Ų | 89.8 | 50% | 0.502 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | 177 | -73.4 | -179.8 | -177.5 | -178.8 | 2.3 | 112.6 | T227 Q228 A233 Q234 Y235 | T227-R231 WeakPolarHBondContact O-CG 3.32Å; T227-R231 PolarHBondContact O-N 3.41Å; Q228-R231 PolarHBondContact O-N 3.09Å; R231-A233 VanDerWaalsContact C-N 3.27Å; R231-A233 PolarHBondContact O-N 3.01Å; R231-Q234 PolarHBondContact O-N 2.99Å; R231-Q234 VanDerWaalsContact O-N 3.13Å; R231-Y235 WeakPolarHBondContact O-CD2 3.49Å; R231-Y235 PolarHBondContact O-N 3.42Å |
| 232 | A | 52 | Low | 52.4 | Low | 42 Ų | 42 | 96.4 Ų | 96.4 | 35% | 0.347 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q228 Y235 Q236 | Q228-A232 VanDerWaalsContact O-CB 3.24Å; Q228-A232 WeakPolarHBondContact O-CB 3.46Å; Q228-A232 PolarHBondContact O-N 3.06Å; A232-Y235 PolarHBondContact O-N 3.36Å; A232-Q236 PolarHBondContact O-N 2.78Å |
| 233 | A | 48.2 | Very low | 52 | Low | 10 Ų | 10 | 103.8 Ų | 103.8 | 8% | 0.083 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y144 I229 R231 Y235 Q236 V237 | Y144-A233 HydrophobicContact CD1-CB 4.47Å; Y144-A233 HydrophobicContact CE1-CB 4.02Å; Y144-A233 HydrophobicContact CE2-CB 4.29Å; I229-A233 WeakPolarHBondContact O-CB 3.41Å; I229-A233 PolarHBondContact O-N 2.9Å; R231-A233 VanDerWaalsContact C-N 3.27Å; R231-A233 PolarHBondContact O-N 3.01Å; A233-Y235 PolarHBondContact O-N 2.92Å; A233-Q236 PolarHBondContact O-N 3.3Å; A233-V237 WeakPolarHBondContact O-CG2 3.38Å; A233-V237 PolarHBondContact O-N 3.34Å |
| 234 | Q | 52.4 | Low | 51.9 | Low | 82 Ų | 82 | 104 Ų | 104 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -35.7 | 179.3 | -71.9 | 178.9 | 7.5 | 0 | 0 | 114.6 | H230 R231 R238 | H230-Q234 PolarHBondContact CD2-NE2 3.08Å; H230-Q234 WeakPolarHBondContact O-CG 3.49Å; H230-Q234 PolarHBondContact O-N 3.48Å; H230-Q234 VanDerWaalsContact O-N 3.14Å; R231-Q234 PolarHBondContact O-N 2.99Å; R231-Q234 VanDerWaalsContact O-N 3.13Å; Q234-R238 WeakPolarHBondContact O-CG 3.1Å; Q234-R238 PolarHBondContact O-N 3.47Å |
| 235 | Y | 55.1 | Low | 51.7 | Low | 159 Ų | 159 | 103.5 Ų | 103.5 | 62% | 0.624 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.2 | -35.5 | 178.3 | -80.8 | -70.4 | 0 | 0 | 0 | 112.1 | R231 A232 A233 R238 E239 | R231-Y235 WeakPolarHBondContact O-CD2 3.49Å; R231-Y235 PolarHBondContact O-N 3.42Å; A232-Y235 PolarHBondContact O-N 3.36Å; A233-Y235 PolarHBondContact O-N 2.92Å; Y235-R238 PolarHBondContact O-N 3.25Å; Y235-E239 PolarHBondContact O-N 3.32Å; Y235-E239 VanDerWaalsContact O-N 3.11Å |
| 236 | Q | 50.8 | Low | 51.8 | Low | 76 Ų | 76 | 107.6 Ų | 107.6 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74 | -39.8 | -177.8 | -152.7 | 124.9 | 46.4 | 0 | 0 | 112.3 | Y144 A232 A233 R238 E239 N240 | Y144-Q236 HydrophobicContact CE2-CB 4.39Å; A232-Q236 PolarHBondContact O-N 2.78Å; A233-Q236 PolarHBondContact O-N 3.3Å; Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 2.92Å; Q236-E239 PolarHBondContact O-N 3.31Å; Q236-E239 VanDerWaalsContact O-N 3.16Å; Q236-N240 PolarHBondContact O-N 3.15Å; Q236-N240 VanDerWaalsContact O-N 3.09Å |
| 237 | V | 53.3 | Low | 51.9 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 172.8 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | A233 E239 N240 D241 | A233-V237 WeakPolarHBondContact O-CG2 3.38Å; A233-V237 PolarHBondContact O-N 3.34Å; V237-E239 VanDerWaalsContact C-N 3.3Å; V237-E239 PolarHBondContact O-N 3.32Å; V237-N240 PolarHBondContact O-N 3.27Å; V237-D241 PolarHBondContact O-N 3.36Å |
| 238 | R | 52.5 | Low | 51.8 | Low | 130 Ų | 130 | 113 Ų | 113 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.3 | -22.1 | 178 | -71.7 | 177.6 | -177.9 | 157.9 | 4.6 | 114.2 | Q234 Y235 Q236 R242 | Q234-R238 WeakPolarHBondContact O-CG 3.1Å; Q234-R238 PolarHBondContact O-N 3.47Å; Y235-R238 PolarHBondContact O-N 3.25Å; Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 2.92Å; R238-R242 WeakPolarHBondContact O-CD 3.29Å; R238-R242 WeakPolarHBondContact O-CG 3.42Å |
| 239 | E | 53.8 | Low | 51.5 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -79.1 | -39.7 | 175.4 | -164.9 | 172.8 | -171.2 | 0 | 0 | 110.4 | Y235 Q236 V237 R242 | Y235-E239 PolarHBondContact O-N 3.32Å; Y235-E239 VanDerWaalsContact O-N 3.11Å; Q236-E239 PolarHBondContact O-N 3.31Å; Q236-E239 VanDerWaalsContact O-N 3.16Å; V237-E239 VanDerWaalsContact C-N 3.3Å; V237-E239 PolarHBondContact O-N 3.32Å; E239-R242 PolarHBondContact O-N 3.02Å |
| 240 | N | 51.7 | Low | 51.5 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.5 | -34.7 | 172.3 | -99.7 | 18.5 | 0 | 0 | 0 | 113.4 | Q236 V237 R242 | Q236-N240 PolarHBondContact O-N 3.15Å; Q236-N240 VanDerWaalsContact O-N 3.09Å; V237-N240 PolarHBondContact O-N 3.27Å; N240-R242 PolarHBondContact O-N 3.42Å |
| 241 | D | 51.9 | Low | 51.6 | Low | 131 Ų | 131 | 116.1 Ų | 116.1 | 70% | 0.701 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -7.9 | 176.3 | -80.6 | -17.7 | 0 | 0 | 0 | 114 | V237 | V237-D241 PolarHBondContact O-N 3.36Š|
| 242 | R | 49.7 | Very low | 51.1 | Low | 207 Ų | 207 | 114.7 Ų | 114.7 | 78% | 0.781 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 3.4 | -175.8 | -78.1 | 179.7 | -179.5 | 177.6 | 1 | 114.2 | R238 E239 N240 | R238-R242 WeakPolarHBondContact O-CD 3.29Å; R238-R242 WeakPolarHBondContact O-CG 3.42Å; E239-R242 PolarHBondContact O-N 3.02Å; N240-R242 PolarHBondContact O-N 3.42Å |
| 243 | H | 41.6 | Very low | 51 | Low | 228 Ų | 228 | 121.3 Ų | 121.3 | 100% | 1.056 | 56% | 0.556 | S | S | * | * | trans | -120.6 | 0 | 174.6 | -83 | -51.8 | 0 | 0 | 0 | 111.4 |
Retrieved 243 of 243 residues in 140.5 ms
(Link to these results)