| 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 | 39.4 | Very low | 45.6 | Very low | 215 Ų | 215 | 103 Ų | 103 | 100% | 1.059 | 58% | 0.58 | S | S | * | * | 0 | -29.3 | 0 | -73.1 | -174.4 | -165.7 | 0 | 0 | 113.5 | T5 | M1-T5 PolarHBondContact O-OG1 3.18Š| |||
| 2 | G | 39.2 | Very low | 46.8 | Very low | 63 Ų | 63 | 103.8 Ų | 103.8 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76.8 | -23.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | T5 | G2-T5 PolarHBondContact O-OG1 3.35Å |
| 3 | T | 43.5 | Very low | 47.7 | Very low | 108 Ų | 108 | 103.8 Ų | 103.8 | 66% | 0.663 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -82.4 | -42.6 | 179.4 | 43.8 | 0 | 0 | 0 | 0 | 113 | T5 N6 E7 | T3-T5 VanDerWaalsContact C-N 3.31Å; T3-T5 PolarHBondContact O-N 3.29Å; T3-N6 PolarHBondContact O-N 3.08Å; T3-E7 PolarHBondContact O-N 3.17Å |
| 4 | A | 41.1 | Very low | 48.6 | Very low | 52 Ų | 52 | 99.8 Ų | 99.8 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -32.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L8 | A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 WeakPolarHBondContact O-CD1 3.48Å; A4-L8 PolarHBondContact O-N 3.3Å |
| 5 | T | 43.1 | Very low | 49.7 | Very low | 84 Ų | 84 | 95.5 Ų | 95.5 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.1 | -34.5 | 176.5 | 27.3 | 0 | 0 | 0 | 0 | 113.2 | M1 G2 T3 D9 | M1-T5 PolarHBondContact O-OG1 3.18Å; G2-T5 PolarHBondContact O-OG1 3.35Å; T3-T5 VanDerWaalsContact C-N 3.31Å; T3-T5 PolarHBondContact O-N 3.29Å; T5-D9 PolarHBondContact O-N 3.48Å; T5-D9 VanDerWaalsContact O-N 3.15Å |
| 6 | N | 47.7 | Very low | 50.8 | Low | 114 Ų | 114 | 98.8 Ų | 98.8 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.2 | -35.7 | -180 | -120.6 | 6.9 | 0 | 0 | 0 | 111.6 | T3 Q10 | T3-N6 PolarHBondContact O-N 3.08Å; N6-Q10 PolarHBondContact O-N 3.2Å; N6-Q10 VanDerWaalsContact O-N 3.08Å |
| 7 | E | 49.1 | Very low | 52.7 | Low | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | 173.6 | -71.8 | 172.4 | 172.1 | 0 | 0 | 111.4 | T3 D9 Q10 M11 | T3-E7 PolarHBondContact O-N 3.17Å; E7-D9 PolarHBondContact O-N 3.18Å; E7-Q10 PolarHBondContact O-N 3.15Å; E7-M11 WeakPolarHBondContact O-CG 3.4Å; E7-M11 PolarHBondContact O-N 3.35Å |
| 8 | L | 44.3 | Very low | 54.9 | Low | 97 Ų | 97 | 92.2 Ų | 92.2 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.9 | -87.6 | 159.8 | 0 | 0 | 0 | 113.4 | A4 K12 | A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 WeakPolarHBondContact O-CD1 3.48Å; A4-L8 PolarHBondContact O-N 3.3Å; L8-K12 WeakPolarHBondContact O-CG 3.5Å; L8-K12 PolarHBondContact O-N 3.01Å |
| 9 | D | 48.8 | Very low | 57 | Low | 95 Ų | 95 | 88.4 Ų | 88.4 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.7 | -31.5 | 178 | -82.5 | -16.3 | 0 | 0 | 0 | 112.5 | T5 E7 N13 | T5-D9 PolarHBondContact O-N 3.48Å; T5-D9 VanDerWaalsContact O-N 3.15Å; E7-D9 PolarHBondContact O-N 3.18Å; D9-N13 PolarHBondContact O-N 3.1Å |
| 10 | Q | 52.3 | Low | 58.7 | Low | 133 Ų | 133 | 90.2 Ų | 90.2 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.9 | -45.7 | 170.8 | -80.3 | -175.2 | -14.9 | 0 | 0 | 112 | N6 E7 K12 N13 T14 | N6-Q10 PolarHBondContact O-N 3.2Å; N6-Q10 VanDerWaalsContact O-N 3.08Å; E7-Q10 PolarHBondContact O-N 3.15Å; Q10-K12 VanDerWaalsContact C-N 3.28Å; Q10-K12 PolarHBondContact O-N 3.42Å; Q10-N13 PolarHBondContact O-N 3.11Å; Q10-T14 PolarHBondContact O-N 3.31Å; Q10-T14 VanDerWaalsContact O-N 3.11Å; Q10-T14 PolarHBondContact O-OG1 2.92Å; Q10-T14 VanDerWaalsContact O-OG1 3.1Å |
| 11 | M | 53.5 | Low | 60.3 | Low | 51 Ų | 51 | 89 Ų | 89 | 25% | 0.251 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.1 | -45.4 | 175.2 | -75.6 | 179.4 | 73.7 | 0 | 0 | 111.3 | E7 N13 T14 E15 D201 | E7-M11 WeakPolarHBondContact O-CG 3.4Å; E7-M11 PolarHBondContact O-N 3.35Å; M11-N13 PolarHBondContact O-N 3.49Å; M11-T14 PolarHBondContact O-N 2.62Å; M11-E15 WeakPolarHBondContact O-CB 3.49Å; M11-E15 VanDerWaalsContact O-CG 3.27Å; M11-E15 WeakPolarHBondContact O-CG 3.37Å; M11-E15 PolarHBondContact O-N 2.72Å; M11-D201 HydrophobicContact CE-CB 4.46Å |
| 12 | K | 59 | Low | 63 | Low | 112 Ų | 112 | 79.4 Ų | 79.4 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.2 | -26.8 | 177.6 | -77.5 | 176.7 | -177.7 | 171.2 | 0 | 114.6 | L8 Q10 K16 | L8-K12 WeakPolarHBondContact O-CG 3.5Å; L8-K12 PolarHBondContact O-N 3.01Å; Q10-K12 VanDerWaalsContact C-N 3.28Å; Q10-K12 PolarHBondContact O-N 3.42Å; K12-K16 WeakPolarHBondContact O-CD 3.21Å; K12-K16 VanDerWaalsContact O-CG 3.26Å; K12-K16 WeakPolarHBondContact O-CG 3.48Å; K12-K16 PolarHBondContact O-N 3.21Å |
| 13 | N | 58.9 | Low | 65.8 | Low | 104 Ų | 104 | 81.4 Ų | 81.4 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -83.7 | -37.9 | 177 | -93.9 | -7.8 | 0 | 0 | 0 | 112.1 | D9 Q10 M11 K16 T17 | D9-N13 PolarHBondContact O-N 3.1Å; Q10-N13 PolarHBondContact O-N 3.11Å; M11-N13 PolarHBondContact O-N 3.49Å; N13-K16 PolarHBondContact O-N 2.88Å; N13-T17 PolarHBondContact O-N 2.66Å; N13-T17 PolarHBondContact O-OG1 3.35Å |
| 14 | T | 59.8 | Low | 68.2 | Low | 48 Ų | 48 | 77.7 Ų | 77.7 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 175.8 | -38.7 | 0 | 0 | 0 | 0 | 111.3 | Q10 M11 K16 T17 A18 R253 | Q10-T14 PolarHBondContact O-N 3.31Å; Q10-T14 VanDerWaalsContact O-N 3.11Å; Q10-T14 PolarHBondContact O-OG1 2.92Å; Q10-T14 VanDerWaalsContact O-OG1 3.1Å; M11-T14 PolarHBondContact O-N 2.62Å; T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 3.33Å; T14-T17 WeakPolarHBondContact CA-OG1 3.26Å; T14-T17 PolarHBondContact O-N 3.17Å; T14-T17 PolarHBondContact O-OG1 2.96Å; T14-A18 PolarHBondContact O-N 2.75Å; T14-A18 VanDerWaalsContact O-N 3.07Å; T14-R253 HydrophobicContact CG2-CB 3.82Å; T14-R253 HydrophobicContact CG2-CG 4.42Å |
| 15 | E | 65.5 | Low | 70.6 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 16% | 0.164 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.2 | -42.5 | 171.5 | -74.8 | 169.4 | -174.3 | 0 | 0 | 111.8 | M11 T17 W19 | M11-E15 WeakPolarHBondContact O-CB 3.49Å; M11-E15 VanDerWaalsContact O-CG 3.27Å; M11-E15 WeakPolarHBondContact O-CG 3.37Å; M11-E15 PolarHBondContact O-N 2.72Å; E15-T17 VanDerWaalsContact C-N 3.26Å; E15-T17 PolarHBondContact O-N 3.47Å; E15-W19 HydrophobicContact CB-CD2 4.43Å; E15-W19 HydrophobicContact CB-CE3 4.03Å; E15-W19 HydrophobicContact CB-CH2 4.25Å; E15-W19 HydrophobicContact CB-CZ3 3.94Å; E15-W19 HydrophobicContact CG-CH2 3.94Å; E15-W19 HydrophobicContact CG-CZ2 4.27Å; E15-W19 HydrophobicContact CG-CZ3 4.12Å; E15-W19 VanDerWaalsContact O-CB 3.27Å; E15-W19 WeakPolarHBondContact O-CB 3.37Å; E15-W19 VanDerWaalsContact O-CG 3.31Å; E15-W19 PolarHBondContact O-N 3.08Å; E15-W19 VanDerWaalsContact O-N 3.11Å |
| 16 | K | 67.9 | Low | 73.1 | Confident | 149 Ų | 149 | 83.9 Ų | 83.9 | 65% | 0.648 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.3 | -30.4 | 179.4 | -82.5 | 174.6 | -175.8 | 175.2 | 0 | 113.7 | K12 N13 T14 | K12-K16 WeakPolarHBondContact O-CD 3.21Å; K12-K16 VanDerWaalsContact O-CG 3.26Å; K12-K16 WeakPolarHBondContact O-CG 3.48Å; K12-K16 PolarHBondContact O-N 3.21Å; N13-K16 PolarHBondContact O-N 2.88Å; T14-K16 VanDerWaalsContact C-N 3.3Å; T14-K16 PolarHBondContact O-N 3.33Å |
| 17 | T | 82.4 | Confident | 75.4 | Confident | 79 Ų | 79 | 78.4 Ų | 78.4 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84.3 | -48.6 | -178.8 | 20.9 | 0 | 0 | 0 | 0 | 111.1 | N13 T14 E15 W19 E20 | N13-T17 PolarHBondContact O-N 2.66Å; N13-T17 PolarHBondContact O-OG1 3.35Å; T14-T17 WeakPolarHBondContact CA-OG1 3.26Å; T14-T17 PolarHBondContact O-N 3.17Å; T14-T17 PolarHBondContact O-OG1 2.96Å; E15-T17 VanDerWaalsContact C-N 3.26Å; E15-T17 PolarHBondContact O-N 3.47Å; T17-W19 PolarHBondContact O-N 3.44Å; T17-E20 VanDerWaalsContact O-CB 3.31Å; T17-E20 WeakPolarHBondContact O-CB 3.16Å; T17-E20 PolarHBondContact O-N 3.07Å; T17-E20 VanDerWaalsContact O-N 3.17Å |
| 18 | A | 92.3 | Very high | 77.5 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.1 | -36.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | T14 P254 E256 R296 | T14-A18 PolarHBondContact O-N 2.75Å; T14-A18 VanDerWaalsContact O-N 3.07Å; A18-P254 HydrophobicContact CB-CB 3.99Å; A18-P254 HydrophobicContact CB-CG 3.62Å; A18-E256 HydrophobicContact CB-CG 3.8Å; A18-R296 PolarHBondContact O-NH1 3.24Å |
| 19 | W | 94.8 | Very high | 79.8 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 7% | 0.072 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 11.2 | -177.7 | -58.4 | -18 | 0 | 0 | 0 | 114.4 | E15 T17 G21 F22 W27 K28 L197 Y198 | E15-W19 HydrophobicContact CB-CD2 4.43Å; E15-W19 HydrophobicContact CB-CE3 4.03Å; E15-W19 HydrophobicContact CB-CH2 4.25Å; E15-W19 HydrophobicContact CB-CZ3 3.94Å; E15-W19 HydrophobicContact CG-CH2 3.94Å; E15-W19 HydrophobicContact CG-CZ2 4.27Å; E15-W19 HydrophobicContact CG-CZ3 4.12Å; E15-W19 VanDerWaalsContact O-CB 3.27Å; E15-W19 WeakPolarHBondContact O-CB 3.37Å; E15-W19 VanDerWaalsContact O-CG 3.31Å; E15-W19 PolarHBondContact O-N 3.08Å; E15-W19 VanDerWaalsContact O-N 3.11Å; T17-W19 PolarHBondContact O-N 3.44Å; W19-G21 PolarHBondContact O-N 2.94Å; W19-F22 HydrophobicContact CB-CD2 4.34Å; W19-F22 PolarHBondContact O-N 3.1Å; W19-F22 VanDerWaalsContact O-N 3.13Å; W19-W27 HydrophobicContact CB-CH2 3.8Å; W19-W27 HydrophobicContact CB-CZ3 4.42Å; W19-W27 AromaticContact CD1-CH2 3.93Å; W19-W27 AromaticContact CD1-CZ3 3.86Å; W19-W27 AromaticContact CD2-CH2 3.74Å; W19-W27 HydrophobicContact CD2-CH2 3.74Å; W19-W27 AromaticContact CD2-CZ3 3.46Å; W19-W27 HydrophobicContact CD2-CZ3 3.46Å; W19-W27 VanDerWaalsContact CD2-CZ3 3.46Å; W19-W27 AromaticContact CE2-CZ3 3.54Å; W19-W27 HydrophobicContact CE3-CH2 4.19Å; W19-W27 AromaticContact CE3-CZ3 3.9Å; W19-W27 HydrophobicContact CE3-CZ3 3.9Å; W19-W27 AromaticContact CG-CH2 3.55Å; W19-W27 HydrophobicContact CG-CH2 3.55Å; W19-W27 AromaticContact CG-CZ3 3.69Å; W19-W27 HydrophobicContact CG-CZ3 3.69Å; W19-W27 HydrophobicContact CH2-CZ3 4.44Å; W19-W27 HydrophobicContact CZ2-CZ3 4.05Å; W19-W27 HydrophobicContact CZ3-CZ3 4.37Å; W19-W27 AromaticContact NE1-CZ3 3.77Å; W19-K28 HydrophobicContact CE3-CB 4.48Å; W19-K28 HydrophobicContact CE3-CG 4.05Å; W19-K28 HydrophobicContact CZ3-CB 4.08Å; W19-K28 HydrophobicContact CZ3-CG 4.13Å; W19-L197 PolarHBondContact NE1-O 3.23Å; W19-Y198 HydrophobicContact CH2-CD1 4.49Å; W19-Y198 HydrophobicContact CZ2-CD1 4.08Å; W19-Y198 HydrophobicContact CZ2-CE1 4.45Å |
| 20 | E | 90.9 | Very high | 82 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 125.9 | -179.6 | -173.2 | -179.9 | -158.7 | 0 | 0 | 111.3 | T17 | T17-E20 VanDerWaalsContact O-CB 3.31Å; T17-E20 WeakPolarHBondContact O-CB 3.16Å; T17-E20 PolarHBondContact O-N 3.07Å; T17-E20 VanDerWaalsContact O-N 3.17Å |
| 21 | G | 92.2 | Very high | 84.1 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 68% | 0.68 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -7.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | W19 | W19-G21 PolarHBondContact O-N 2.94Š|
| 22 | F | 96.9 | Very high | 86.2 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | trans | -85.4 | 134.5 | 177.2 | -61.1 | -41.4 | 0 | 0 | 0 | 112.9 | W19 W27 K28 F36 N40 I292 Y293 R296 | W19-F22 HydrophobicContact CB-CD2 4.34Å; W19-F22 PolarHBondContact O-N 3.1Å; W19-F22 VanDerWaalsContact O-N 3.13Å; F22-W27 HydrophobicContact CB-CH2 4.05Å; F22-W27 HydrophobicContact CB-CZ2 3.7Å; F22-W27 HydrophobicContact CD2-CH2 4.31Å; F22-K28 PolarHBondContact O-NZ 3.11Å; F22-F36 HydrophobicContact CB-CE2 4.2Å; F22-F36 HydrophobicContact CD1-CE2 4.28Å; F22-F36 AromaticContact CD2-CE2 3.7Å; F22-F36 HydrophobicContact CD2-CE2 3.7Å; F22-F36 HydrophobicContact CD2-CZ 4.19Å; F22-F36 HydrophobicContact CE1-CZ 4.46Å; F22-F36 HydrophobicContact CE2-CE2 4.08Å; F22-F36 HydrophobicContact CE2-CZ 4.09Å; F22-F36 AromaticContact CG-CE2 3.83Å; F22-F36 HydrophobicContact CG-CE2 3.83Å; F22-F36 HydrophobicContact CG-CZ 4.44Å; F22-F36 HydrophobicContact CZ-CZ 4.23Å; F22-N40 WeakPolarHBondContact CA-OD1 3.43Å; F22-N40 WeakPolarHBondContact CB-OD1 3.47Å; F22-N40 HydrophobicContact CD1-CB 4.47Å; F22-I292 HydrophobicContact CD1-CG2 3.97Å; F22-I292 HydrophobicContact CE1-CG2 3.42Å; F22-I292 VanDerWaalsContact CE1-CG2 3.42Å; F22-I292 HydrophobicContact CZ-CG2 3.99Å; F22-Y293 HydrophobicContact CE2-CD1 4.25Å; F22-Y293 AromaticContact CE2-CE1 3.77Å; F22-Y293 HydrophobicContact CE2-CE1 3.77Å; F22-Y293 AromaticContact CZ-CD1 3.9Å; F22-Y293 HydrophobicContact CZ-CD1 3.9Å; F22-Y293 AromaticContact CZ-CE1 3.89Å; F22-Y293 HydrophobicContact CZ-CE1 3.89Å; F22-Y293 HydrophobicContact CZ-CG 4.26Å; F22-R296 HydrophobicContact CE1-CB 4.36Å; F22-R296 HydrophobicContact CE1-CG 4.44Å; F22-R296 VanDerWaalsContact CZ-NH1 3.3Å | ||
| 23 | N | 96.7 | Very high | 88.1 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | trans | -82.3 | 170.8 | 175.9 | -60.6 | -53.8 | 0 | 0 | 0 | 111.6 | W27 T39 N40 | N23-W27 PolarHBondContact O-NE1 3.16Å; N23-T39 WeakPolarHBondContact CB-O 3.28Å; N23-T39 PolarHBondContact O-OG1 3.48Å; N23-N40 PolarHBondContact N-OD1 3.05Å; N23-N40 PolarHBondContact O-ND2 3.48Å | ||
| 24 | G | 94.2 | Very high | 89.9 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | trans | 95.7 | 158.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K28 | G24-K28 WeakPolarHBondContact O-CE 3.45Å; G24-K28 PolarHBondContact O-NZ 3.03Å | ||
| 25 | R | 92.5 | Very high | 91.8 | Very high | 196 Ų | 196 | 62.7 Ų | 62.7 | 74% | 0.74 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -124.2 | -42.2 | -175.8 | -170.2 | -175.8 | 85 | 107 | 1.4 | 112.8 | K28 S29 | R25-K28 PolarHBondContact O-N 2.99Å; R25-S29 PolarHBondContact O-OG 3.11Å |
| 26 | L | 95 | Very high | 93.3 | Very high | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -67.8 | -49.5 | -170.9 | -61.8 | 171.4 | 0 | 0 | 0 | 110.2 | K28 S29 E30 D35 | L26-K28 PolarHBondContact O-N 3.45Å; L26-S29 PolarHBondContact O-N 3.36Å; L26-S29 PolarHBondContact O-OG 2.99Å; L26-E30 WeakPolarHBondContact O-CG 3.46Å; L26-E30 PolarHBondContact O-N 3.45Å; L26-D35 HydrophobicContact CB-CB 4.5Å; L26-D35 WeakPolarHBondContact CB-OD2 3.41Å; L26-D35 PolarHBondContact N-OD2 3.42Å |
| 27 | W | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -58.6 | -18.4 | 178.4 | 72.3 | -99.3 | 0 | 0 | 0 | 114.8 | W19 F22 N23 E30 N32 D35 F36 L197 Y198 | W19-W27 HydrophobicContact CB-CH2 3.8Å; W19-W27 HydrophobicContact CB-CZ3 4.42Å; W19-W27 AromaticContact CD1-CH2 3.93Å; W19-W27 AromaticContact CD1-CZ3 3.86Å; W19-W27 AromaticContact CD2-CH2 3.74Å; W19-W27 HydrophobicContact CD2-CH2 3.74Å; W19-W27 AromaticContact CD2-CZ3 3.46Å; W19-W27 HydrophobicContact CD2-CZ3 3.46Å; W19-W27 VanDerWaalsContact CD2-CZ3 3.46Å; W19-W27 AromaticContact CE2-CZ3 3.54Å; W19-W27 HydrophobicContact CE3-CH2 4.19Å; W19-W27 AromaticContact CE3-CZ3 3.9Å; W19-W27 HydrophobicContact CE3-CZ3 3.9Å; W19-W27 AromaticContact CG-CH2 3.55Å; W19-W27 HydrophobicContact CG-CH2 3.55Å; W19-W27 AromaticContact CG-CZ3 3.69Å; W19-W27 HydrophobicContact CG-CZ3 3.69Å; W19-W27 HydrophobicContact CH2-CZ3 4.44Å; W19-W27 HydrophobicContact CZ2-CZ3 4.05Å; W19-W27 HydrophobicContact CZ3-CZ3 4.37Å; W19-W27 AromaticContact NE1-CZ3 3.77Å; F22-W27 HydrophobicContact CB-CH2 4.05Å; F22-W27 HydrophobicContact CB-CZ2 3.7Å; F22-W27 HydrophobicContact CD2-CH2 4.31Å; N23-W27 PolarHBondContact O-NE1 3.16Å; W27-E30 CarbonylContact C-O 3.42Å; W27-E30 WeakPolarHBondContact CA-O 3.25Å; W27-N32 HydrophobicContact CB-CB 4.33Å; W27-N32 WeakPolarHBondContact CB-O 3.35Å; W27-D35 HydrophobicContact CB-CB 4.24Å; W27-D35 VanDerWaalsContact CD1-OD2 3.23Å; W27-D35 PolarHBondContact N-OD2 3.44Å; W27-F36 HydrophobicContact CB-CB 3.93Å; W27-F36 HydrophobicContact CD2-CB 3.99Å; W27-F36 AromaticContact CD2-CD2 3.8Å; W27-F36 HydrophobicContact CD2-CD2 3.8Å; W27-F36 HydrophobicContact CD2-CG 4.36Å; W27-F36 AromaticContact CE2-CD2 3.63Å; W27-F36 HydrophobicContact CE3-CB 4.44Å; W27-F36 AromaticContact CE3-CD2 4Å; W27-F36 HydrophobicContact CE3-CD2 4Å; W27-F36 HydrophobicContact CG-CB 3.74Å; W27-F36 HydrophobicContact CG-CD2 4.38Å; W27-F36 AromaticContact CH2-CD2 3.88Å; W27-F36 HydrophobicContact CH2-CD2 3.88Å; W27-F36 HydrophobicContact CH2-CE2 4.05Å; W27-F36 AromaticContact CZ2-CD2 3.68Å; W27-F36 HydrophobicContact CZ2-CD2 3.68Å; W27-F36 HydrophobicContact CZ2-CE2 4.07Å; W27-F36 HydrophobicContact CZ3-CD2 4.03Å; W27-F36 HydrophobicContact CZ3-CE2 4.44Å; W27-L197 HydrophobicContact CE3-CD1 3.92Å; W27-L197 HydrophobicContact CE3-CD2 4.29Å; W27-L197 HydrophobicContact CE3-CG 4.31Å; W27-L197 HydrophobicContact CH2-CD1 4.41Å; W27-L197 HydrophobicContact CZ3-CD1 3.66Å; W27-L197 HydrophobicContact CZ3-CG 4.41Å; W27-Y198 WeakPolarHBondContact O-CE1 3.24Å; W27-Y198 PolarHBondContact O-OH 2.95Å |
| 28 | K | 94 | Very high | 95.6 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -83 | -17.1 | 174.7 | -62.7 | 179.8 | -179.7 | 167.1 | 0 | 113.2 | W19 F22 G24 R25 L26 | W19-K28 HydrophobicContact CE3-CB 4.48Å; W19-K28 HydrophobicContact CE3-CG 4.05Å; W19-K28 HydrophobicContact CZ3-CB 4.08Å; W19-K28 HydrophobicContact CZ3-CG 4.13Å; F22-K28 PolarHBondContact O-NZ 3.11Å; G24-K28 WeakPolarHBondContact O-CE 3.45Å; G24-K28 PolarHBondContact O-NZ 3.03Å; R25-K28 PolarHBondContact O-N 2.99Å; L26-K28 PolarHBondContact O-N 3.45Å |
| 29 | S | 91.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -15.4 | -178.3 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | R25 L26 | R25-S29 PolarHBondContact O-OG 3.11Å; L26-S29 PolarHBondContact O-N 3.36Å; L26-S29 PolarHBondContact O-OG 2.99Å |
| 30 | E | 94.1 | Very high | 96 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -149.4 | 162.3 | -179.7 | 55.3 | 175.7 | -143.7 | 0 | 0 | 110.5 | L26 W27 N32 Y198 | L26-E30 WeakPolarHBondContact O-CG 3.46Å; L26-E30 PolarHBondContact O-N 3.45Å; W27-E30 CarbonylContact C-O 3.42Å; W27-E30 WeakPolarHBondContact CA-O 3.25Å; E30-N32 HydrophobicContact CG-CB 4.18Å; E30-N32 PolarHBondContact O-N 3.48Å; E30-N32 VanDerWaalsContact O-N 3.09Å; E30-N32 PolarHBondContact OE1-ND2 3.19Å; E30-Y198 PolarHBondContact O-OH 2.9Å; E30-Y198 VanDerWaalsContact O-OH 3.09Å |
| 31 | I | 97.2 | Very high | 96.4 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | trans | -71.2 | 103.7 | 173.5 | -59.6 | 175.6 | 0 | 0 | 0 | 109.2 | R194 Y198 Y202 L203 E206 | I31-R194 HydrophobicContact CG2-CG 4.02Å; I31-R194 VanDerWaalsContact CG2-CZ 3.41Å; I31-Y198 HydrophobicContact CB-CE2 4.38Å; I31-Y198 HydrophobicContact CG2-CD2 4.43Å; I31-Y198 HydrophobicContact CG2-CE2 3.89Å; I31-Y202 HydrophobicContact CG1-CE1 3.91Å; I31-L203 HydrophobicContact CD1-CD2 3.64Å; I31-L203 HydrophobicContact CG1-CD2 4.23Å; I31-E206 HydrophobicContact CD1-CB 3.82Å; I31-E206 HydrophobicContact CD1-CG 3.78Å; I31-E206 HydrophobicContact CG1-CG 4.08Å | ||
| 32 | N | 97.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 49 Ų | 49 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | trans | -151.7 | 76.4 | -176.3 | -162.4 | -25.9 | 0 | 0 | 0 | 111.3 | W27 E30 R34 D35 F36 Y198 | W27-N32 HydrophobicContact CB-CB 4.33Å; W27-N32 WeakPolarHBondContact CB-O 3.35Å; E30-N32 HydrophobicContact CG-CB 4.18Å; E30-N32 PolarHBondContact O-N 3.48Å; E30-N32 VanDerWaalsContact O-N 3.09Å; E30-N32 PolarHBondContact OE1-ND2 3.19Å; N32-R34 VanDerWaalsContact C-N 3.28Å; N32-R34 PolarHBondContact O-N 3.07Å; N32-D35 HydrophobicContact CB-CB 4.14Å; N32-D35 VanDerWaalsContact CG-CB 3.5Å; N32-D35 PolarHBondContact O-N 3.04Å; N32-D35 WeakPolarHBondContact OD1-CB 3.47Å; N32-D35 PolarHBondContact OD1-N 2.91Å; N32-F36 PolarHBondContact O-N 3.01Å; N32-Y198 PolarHBondContact N-OH 3.37Å | ||
| 33 | V | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -34.8 | -179.6 | -177 | 0 | 0 | 0 | 0 | 111.6 | F36 I37 D191 R193 R194 L197 Y198 F289 | V33-F36 WeakPolarHBondContact O-CB 3.49Å; V33-F36 PolarHBondContact O-N 3.35Å; V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 HydrophobicContact CG1-CG1 4.34Å; V33-I37 WeakPolarHBondContact O-CG1 3.47Å; V33-I37 PolarHBondContact O-N 3.38Å; V33-D191 VanDerWaalsContact CG2-OD2 3.28Å; V33-D191 WeakPolarHBondContact CG2-OD2 3.4Å; V33-R193 HydrophobicContact CG1-CB 3.96Å; V33-R194 HydrophobicContact CG2-CG 3.72Å; V33-L197 HydrophobicContact CG2-CD2 4.13Å; V33-Y198 HydrophobicContact CG2-CE2 4.14Å; V33-F289 HydrophobicContact CG1-CD2 3.95Å; V33-F289 HydrophobicContact CG1-CE2 4.22Å |
| 34 | R | 98 | Very high | 96.9 | Very high | 92 Ų | 92 | 47.2 Ų | 47.2 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 175.1 | -172 | -126.5 | -179.1 | -156.8 | -5.5 | 112.4 | N32 F36 I37 Q38 D418 D419 | N32-R34 VanDerWaalsContact C-N 3.28Å; N32-R34 PolarHBondContact O-N 3.07Å; R34-F36 VanDerWaalsContact C-N 3.32Å; R34-F36 PolarHBondContact O-N 3.34Å; R34-I37 PolarHBondContact O-N 3.07Å; R34-Q38 HydrophobicContact CG-CG 4.47Å; R34-Q38 WeakPolarHBondContact O-CB 3.44Å; R34-Q38 VanDerWaalsContact O-CG 3.32Å; R34-Q38 WeakPolarHBondContact O-CG 3.38Å; R34-Q38 PolarHBondContact O-N 3.2Å; R34-D418 IonicContact CZ-OD1 3.23Å; R34-D418 VanDerWaalsContact CZ-OD1 3.31Å; R34-D418 IonicContact CZ-OD2 2.77Å; R34-D418 IonicContact NE-OD1 3.73Å; R34-D418 PolarHBondContact NE-OD1 3.03Å; R34-D418 IonicContact NE-OD2 2.76Å; R34-D418 VanDerWaalsContact NH2-CG 3.32Å; R34-D418 IonicContact NH2-OD1 3.63Å; R34-D418 PolarHBondContact NH2-OD1 3.24Å; R34-D418 IonicContact NH2-OD2 3.19Å; R34-D418 PolarHBondContact NH2-OD2 2.98Å; R34-D419 HydrophobicContact CB-CB 3.96Å; R34-D419 HydrophobicContact CG-CB 3.65Å |
| 35 | D | 98.2 | Very high | 97.1 | Very high | 31 Ų | 31 | 53 Ų | 53 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 175.8 | -177.5 | 70.7 | 0 | 0 | 0 | 111.5 | L26 W27 N32 T39 | L26-D35 HydrophobicContact CB-CB 4.5Å; L26-D35 WeakPolarHBondContact CB-OD2 3.41Å; L26-D35 PolarHBondContact N-OD2 3.42Å; W27-D35 HydrophobicContact CB-CB 4.24Å; W27-D35 VanDerWaalsContact CD1-OD2 3.23Å; W27-D35 PolarHBondContact N-OD2 3.44Å; N32-D35 HydrophobicContact CB-CB 4.14Å; N32-D35 VanDerWaalsContact CG-CB 3.5Å; N32-D35 PolarHBondContact O-N 3.04Å; N32-D35 WeakPolarHBondContact OD1-CB 3.47Å; N32-D35 PolarHBondContact OD1-N 2.91Å; D35-T39 WeakPolarHBondContact O-CB 3.36Å; D35-T39 WeakPolarHBondContact O-CG2 3.34Å; D35-T39 PolarHBondContact O-N 3.28Å; D35-T39 VanDerWaalsContact O-N 3.12Å; D35-T39 PolarHBondContact O-OG1 2.89Å |
| 36 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 172.8 | 171.4 | -103.8 | 0 | 0 | 0 | 111.7 | F22 W27 N32 V33 R34 T39 N40 L197 F289 I292 Y293 | F22-F36 HydrophobicContact CB-CE2 4.2Å; F22-F36 HydrophobicContact CD1-CE2 4.28Å; F22-F36 AromaticContact CD2-CE2 3.7Å; F22-F36 HydrophobicContact CD2-CE2 3.7Å; F22-F36 HydrophobicContact CD2-CZ 4.19Å; F22-F36 HydrophobicContact CE1-CZ 4.46Å; F22-F36 HydrophobicContact CE2-CE2 4.08Å; F22-F36 HydrophobicContact CE2-CZ 4.09Å; F22-F36 AromaticContact CG-CE2 3.83Å; F22-F36 HydrophobicContact CG-CE2 3.83Å; F22-F36 HydrophobicContact CG-CZ 4.44Å; F22-F36 HydrophobicContact CZ-CZ 4.23Å; W27-F36 HydrophobicContact CB-CB 3.93Å; W27-F36 HydrophobicContact CD2-CB 3.99Å; W27-F36 AromaticContact CD2-CD2 3.8Å; W27-F36 HydrophobicContact CD2-CD2 3.8Å; W27-F36 HydrophobicContact CD2-CG 4.36Å; W27-F36 AromaticContact CE2-CD2 3.63Å; W27-F36 HydrophobicContact CE3-CB 4.44Å; W27-F36 AromaticContact CE3-CD2 4Å; W27-F36 HydrophobicContact CE3-CD2 4Å; W27-F36 HydrophobicContact CG-CB 3.74Å; W27-F36 HydrophobicContact CG-CD2 4.38Å; W27-F36 AromaticContact CH2-CD2 3.88Å; W27-F36 HydrophobicContact CH2-CD2 3.88Å; W27-F36 HydrophobicContact CH2-CE2 4.05Å; W27-F36 AromaticContact CZ2-CD2 3.68Å; W27-F36 HydrophobicContact CZ2-CD2 3.68Å; W27-F36 HydrophobicContact CZ2-CE2 4.07Å; W27-F36 HydrophobicContact CZ3-CD2 4.03Å; W27-F36 HydrophobicContact CZ3-CE2 4.44Å; N32-F36 PolarHBondContact O-N 3.01Å; V33-F36 WeakPolarHBondContact O-CB 3.49Å; V33-F36 PolarHBondContact O-N 3.35Å; R34-F36 VanDerWaalsContact C-N 3.32Å; R34-F36 PolarHBondContact O-N 3.34Å; F36-T39 PolarHBondContact O-N 2.64Å; F36-T39 PolarHBondContact O-OG1 3.3Å; F36-N40 HydrophobicContact CE2-CB 4.41Å; F36-N40 WeakPolarHBondContact O-CB 3.41Å; F36-N40 PolarHBondContact O-N 2.74Å; F36-N40 PolarHBondContact O-ND2 3.24Å; F36-L197 HydrophobicContact CB-CD1 4.47Å; F36-L197 HydrophobicContact CB-CD2 3.61Å; F36-L197 HydrophobicContact CD1-CD1 3.98Å; F36-L197 HydrophobicContact CD1-CD2 3.96Å; F36-L197 HydrophobicContact CD2-CD1 3.63Å; F36-L197 HydrophobicContact CD2-CD2 4.32Å; F36-L197 HydrophobicContact CE1-CD1 4.06Å; F36-L197 HydrophobicContact CE2-CD1 3.71Å; F36-L197 HydrophobicContact CG-CD1 3.75Å; F36-L197 HydrophobicContact CG-CD2 3.7Å; F36-L197 HydrophobicContact CG-CG 4.41Å; F36-L197 HydrophobicContact CZ-CD1 3.91Å; F36-F289 AromaticContact CD1-CD2 3.76Å; F36-F289 HydrophobicContact CD1-CD2 3.76Å; F36-F289 AromaticContact CD1-CE2 3.66Å; F36-F289 HydrophobicContact CD1-CE2 3.66Å; F36-F289 AromaticContact CE1-CD2 3.67Å; F36-F289 HydrophobicContact CE1-CD2 3.67Å; F36-F289 AromaticContact CE1-CE2 3.45Å; F36-F289 HydrophobicContact CE1-CE2 3.45Å; F36-F289 VanDerWaalsContact CE1-CE2 3.45Å; F36-F289 HydrophobicContact CE1-CZ 4.49Å; F36-I292 HydrophobicContact CD1-CD1 3.97Å; F36-I292 HydrophobicContact CE1-CB 4.27Å; F36-I292 HydrophobicContact CE1-CD1 3.55Å; F36-I292 HydrophobicContact CE1-CG2 4.01Å; F36-I292 HydrophobicContact CE2-CG2 4.34Å; F36-I292 HydrophobicContact CZ-CB 4.28Å; F36-I292 HydrophobicContact CZ-CD1 4.18Å; F36-I292 HydrophobicContact CZ-CG2 3.55Å; F36-Y293 AromaticContact CE1-CE2 3.88Å; F36-Y293 HydrophobicContact CE1-CE2 3.88Å; F36-Y293 AromaticContact CZ-CE2 3.73Å; F36-Y293 HydrophobicContact CZ-CE2 3.73Å |
| 37 | I | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -59.5 | 178.5 | -68.4 | 165.5 | 0 | 0 | 0 | 109.5 | V33 R34 T39 N40 Y41 R193 T288 F289 I292 L355 | V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 HydrophobicContact CG1-CG1 4.34Å; V33-I37 WeakPolarHBondContact O-CG1 3.47Å; V33-I37 PolarHBondContact O-N 3.38Å; R34-I37 PolarHBondContact O-N 3.07Å; I37-T39 PolarHBondContact O-N 2.75Å; I37-N40 PolarHBondContact O-N 3.3Å; I37-Y41 HydrophobicContact CG2-CD1 4.28Å; I37-Y41 HydrophobicContact CG2-CG 4.41Å; I37-Y41 VanDerWaalsContact O-CD1 3.23Å; I37-Y41 WeakPolarHBondContact O-CD1 3.27Å; I37-Y41 PolarHBondContact O-N 3.08Å; I37-R193 VanDerWaalsContact CD1-NH1 3.32Å; I37-T288 HydrophobicContact CG2-CG2 3.99Å; I37-F289 HydrophobicContact CD1-CB 4.12Å; I37-F289 HydrophobicContact CG1-CB 4.21Å; I37-F289 HydrophobicContact CG1-CD2 4.26Å; I37-I292 HydrophobicContact CB-CD1 4.41Å; I37-I292 HydrophobicContact CG1-CD1 4.21Å; I37-L355 HydrophobicContact CG2-CD2 4.19Å |
| 38 | Q | 98.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.8 | -32 | -173.7 | -73.9 | -63.8 | -34.7 | 0 | 0 | 113.7 | R34 R353 D418 | R34-Q38 HydrophobicContact CG-CG 4.47Å; R34-Q38 WeakPolarHBondContact O-CB 3.44Å; R34-Q38 VanDerWaalsContact O-CG 3.32Å; R34-Q38 WeakPolarHBondContact O-CG 3.38Å; R34-Q38 PolarHBondContact O-N 3.2Å; Q38-R353 PolarHBondContact O-NH2 3.07Å; Q38-R353 VanDerWaalsContact O-NH2 3.16Å; Q38-D418 PolarHBondContact NE2-OD2 2.65Å |
| 39 | T | 98.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 48 Ų | 48 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -89 | -11.5 | -179.3 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | N23 D35 F36 I37 | N23-T39 WeakPolarHBondContact CB-O 3.28Å; N23-T39 PolarHBondContact O-OG1 3.48Å; D35-T39 WeakPolarHBondContact O-CB 3.36Å; D35-T39 WeakPolarHBondContact O-CG2 3.34Å; D35-T39 PolarHBondContact O-N 3.28Å; D35-T39 VanDerWaalsContact O-N 3.12Å; D35-T39 PolarHBondContact O-OG1 2.89Å; F36-T39 PolarHBondContact O-N 2.64Å; F36-T39 PolarHBondContact O-OG1 3.3Å; I37-T39 PolarHBondContact O-N 2.75Å |
| 40 | N | 98.7 | Very high | 98.1 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -130.7 | -20.7 | -170.8 | -67.4 | -76.1 | 0 | 0 | 0 | 116.4 | F22 N23 F36 I37 I292 | F22-N40 WeakPolarHBondContact CA-OD1 3.43Å; F22-N40 WeakPolarHBondContact CB-OD1 3.47Å; F22-N40 HydrophobicContact CD1-CB 4.47Å; N23-N40 PolarHBondContact N-OD1 3.05Å; N23-N40 PolarHBondContact O-ND2 3.48Å; F36-N40 HydrophobicContact CE2-CB 4.41Å; F36-N40 WeakPolarHBondContact O-CB 3.41Å; F36-N40 PolarHBondContact O-N 2.74Å; F36-N40 PolarHBondContact O-ND2 3.24Å; I37-N40 PolarHBondContact O-N 3.3Å; N40-I292 HydrophobicContact CB-CD1 4.15Å; N40-I292 HydrophobicContact CB-CG1 4.24Å; N40-I292 HydrophobicContact CB-CG2 3.66Å |
| 41 | Y | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | trans | -68.7 | 151.8 | -179.1 | 89.7 | -76.2 | 0 | 0 | 0 | 112 | I37 P43 T288 R353 T354 L355 T357 | I37-Y41 HydrophobicContact CG2-CD1 4.28Å; I37-Y41 HydrophobicContact CG2-CG 4.41Å; I37-Y41 VanDerWaalsContact O-CD1 3.23Å; I37-Y41 WeakPolarHBondContact O-CD1 3.27Å; I37-Y41 PolarHBondContact O-N 3.08Å; Y41-P43 HydrophobicContact CD2-CG 4.27Å; Y41-P43 HydrophobicContact CE2-CB 4.1Å; Y41-P43 HydrophobicContact CE2-CG 3.52Å; Y41-T288 HydrophobicContact CD2-CG2 3.86Å; Y41-T288 HydrophobicContact CG-CG2 4Å; Y41-R353 VanDerWaalsContact OH-CB 3.26Å; Y41-R353 WeakPolarHBondContact OH-CB 3.49Å; Y41-T354 WeakPolarHBondContact CE2-O 3.42Å; Y41-T354 PolarHBondContact OH-O 3.49Å; Y41-L355 HydrophobicContact CD1-CD2 4.33Å; Y41-L355 HydrophobicContact CD2-CD2 4.24Å; Y41-L355 HydrophobicContact CE1-CD2 3.94Å; Y41-L355 HydrophobicContact CE2-CD2 3.87Å; Y41-L355 HydrophobicContact CG-CD2 4.44Å; Y41-T357 HydrophobicContact CD2-CG2 4.05Å | ||
| 42 | T | 98.7 | Very high | 98.4 | Very high | 71 Ų | 71 | 42.7 Ų | 42.7 | 44% | 0.436 | 24% | 0.236 | S | C | . | . | trans | -110.7 | 103.3 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 108.8 | Y44 | T42-Y44 PolarHBondContact O-N 3.2Š| ||
| 43 | P | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 48 Ų | 48 | 25% | 0.253 | 26% | 0.26 | S | S | . | . | trans | -52.9 | 135.6 | 173.7 | -19.8 | 26.4 | 0 | 0 | 0 | 110.9 | Y41 R353 T354 V356 | Y41-P43 HydrophobicContact CD2-CG 4.27Å; Y41-P43 HydrophobicContact CE2-CB 4.1Å; Y41-P43 HydrophobicContact CE2-CG 3.52Å; P43-R353 HydrophobicContact CG-CB 4.43Å; P43-T354 HydrophobicContact CB-CG2 3.94Å; P43-V356 WeakPolarHBondContact CA-O 3.31Å | ||
| 44 | Y | 98.8 | Very high | 98.4 | Very high | 43 Ų | 43 | 49 Ų | 49 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | trans | -119.2 | 117.7 | 178 | -176.4 | -109 | 0 | 0 | 0 | 110.3 | T42 G46 A47 F50 V356 K358 F361 | T42-Y44 PolarHBondContact O-N 3.2Å; Y44-G46 VanDerWaalsContact CZ-CA 3.49Å; Y44-A47 WeakPolarHBondContact CE1-O 3.32Å; Y44-A47 PolarHBondContact OH-O 3.14Å; Y44-F50 HydrophobicContact CD1-CE1 4.35Å; Y44-F50 AromaticContact CE1-CD1 3.96Å; Y44-F50 HydrophobicContact CE1-CD1 3.96Å; Y44-F50 AromaticContact CE1-CE1 3.56Å; Y44-F50 HydrophobicContact CE1-CE1 3.56Å; Y44-F50 AromaticContact CZ-CD1 3.78Å; Y44-F50 AromaticContact CZ-CE1 3.85Å; Y44-F50 WeakPolarHBondContact OH-CD1 3.47Å; Y44-V356 PolarHBondContact N-O 3.34Å; Y44-V356 WeakPolarHBondContact O-CG1 3.49Å; Y44-K358 HydrophobicContact CD1-CG 4.02Å; Y44-K358 HydrophobicContact CD2-CD 4.49Å; Y44-K358 HydrophobicContact CD2-CG 3.79Å; Y44-K358 HydrophobicContact CE1-CG 4.29Å; Y44-K358 HydrophobicContact CE2-CG 4.08Å; Y44-K358 HydrophobicContact CG-CG 3.76Å; Y44-F361 AromaticContact CD1-CD2 4Å; Y44-F361 HydrophobicContact CD1-CD2 4Å; Y44-F361 AromaticContact CD1-CE2 3.59Å; Y44-F361 HydrophobicContact CD1-CE2 3.59Å; Y44-F361 HydrophobicContact CD1-CZ 4.37Å; Y44-F361 HydrophobicContact CE1-CD2 4.19Å; Y44-F361 AromaticContact CE1-CE2 3.79Å; Y44-F361 HydrophobicContact CE1-CE2 3.79Å; Y44-F361 HydrophobicContact CE1-CZ 4.19Å | ||
| 45 | E | 98.6 | Very high | 98.4 | Very high | 152 Ų | 152 | 44.9 Ų | 44.9 | 71% | 0.71 | 25% | 0.251 | S | S | * | . | trans | -109.4 | 9.1 | -177.8 | -60 | 178.5 | -169.6 | 0 | 0 | 112.6 | T354 P387 | E45-T354 HydrophobicContact CG-CG2 4.48Å; E45-P387 HydrophobicContact CB-CB 4.24Å; E45-P387 HydrophobicContact CB-CG 4.34Å; E45-P387 HydrophobicContact CG-CB 4.49Å; E45-P387 HydrophobicContact CG-CG 4.09Å | ||
| 46 | G | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -83.9 | -173.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y44 F361 | Y44-G46 VanDerWaalsContact CZ-CA 3.49Å; G46-F361 WeakPolarHBondContact O-CZ 3.05Å |
| 47 | A | 97.8 | Very high | 98.4 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | trans | -95.8 | -175.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y44 D49 F50 | Y44-A47 WeakPolarHBondContact CE1-O 3.32Å; Y44-A47 PolarHBondContact OH-O 3.14Å; A47-D49 PolarHBondContact O-N 3.02Å; A47-F50 WeakPolarHBondContact O-CD1 3.49Å | ||
| 48 | A | 98.2 | Very high | 98.4 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 22% | 0.223 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -79.9 | 6.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F50 L51 F361 Y393 | A48-F50 PolarHBondContact O-N 3.36Å; A48-F50 VanDerWaalsContact O-N 3.14Å; A48-L51 HydrophobicContact CB-CD1 3.8Å; A48-L51 WeakPolarHBondContact O-CB 3.41Å; A48-L51 WeakPolarHBondContact O-CG 3.5Å; A48-L51 PolarHBondContact O-N 3.05Å; A48-F361 HydrophobicContact CB-CD1 3.78Å; A48-F361 HydrophobicContact CB-CE1 3.97Å; A48-Y393 HydrophobicContact CB-CD1 4.21Å; A48-Y393 HydrophobicContact CB-CD2 3.43Å; A48-Y393 VanDerWaalsContact CB-CD2 3.43Å; A48-Y393 HydrophobicContact CB-CE1 4.42Å; A48-Y393 HydrophobicContact CB-CE2 3.74Å; A48-Y393 HydrophobicContact CB-CG 3.71Å |
| 49 | D | 97.6 | Very high | 98.4 | Very high | 139 Ų | 139 | 51.5 Ų | 51.5 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -69.2 | -12.1 | -170.3 | 66.6 | -31.8 | 0 | 0 | 0 | 114.9 | A47 | A47-D49 PolarHBondContact O-N 3.02Š|
| 50 | F | 98.4 | Very high | 98.5 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -87.9 | -12.1 | 177.8 | 76.1 | -85.1 | 0 | 0 | 0 | 113.8 | Y44 A47 A48 E305 K358 F361 R362 | Y44-F50 HydrophobicContact CD1-CE1 4.35Å; Y44-F50 AromaticContact CE1-CD1 3.96Å; Y44-F50 HydrophobicContact CE1-CD1 3.96Å; Y44-F50 AromaticContact CE1-CE1 3.56Å; Y44-F50 HydrophobicContact CE1-CE1 3.56Å; Y44-F50 AromaticContact CZ-CD1 3.78Å; Y44-F50 AromaticContact CZ-CE1 3.85Å; Y44-F50 WeakPolarHBondContact OH-CD1 3.47Å; A47-F50 WeakPolarHBondContact O-CD1 3.49Å; A48-F50 PolarHBondContact O-N 3.36Å; A48-F50 VanDerWaalsContact O-N 3.14Å; F50-E305 HydrophobicContact CD2-CG 4.14Å; F50-E305 WeakPolarHBondContact CD2-OE1 3.37Å; F50-E305 WeakPolarHBondContact CE2-OE1 3.46Å; F50-E305 VanDerWaalsContact O-CG 3.27Å; F50-E305 WeakPolarHBondContact O-CG 3.49Å; F50-K358 HydrophobicContact CD2-CD 3.91Å; F50-K358 HydrophobicContact CD2-CG 4.35Å; F50-K358 HydrophobicContact CE1-CB 4.37Å; F50-K358 HydrophobicContact CE1-CD 4.5Å; F50-K358 HydrophobicContact CE1-CG 4.01Å; F50-K358 HydrophobicContact CE2-CB 3.67Å; F50-K358 HydrophobicContact CE2-CD 3.76Å; F50-K358 HydrophobicContact CE2-CG 3.8Å; F50-K358 HydrophobicContact CG-CD 4.34Å; F50-K358 HydrophobicContact CZ-CB 3.52Å; F50-K358 HydrophobicContact CZ-CD 4.07Å; F50-K358 HydrophobicContact CZ-CG 3.6Å; F50-K358 WeakPolarHBondContact CZ-O 3.42Å; F50-F361 HydrophobicContact CE1-CB 4.08Å; F50-F361 HydrophobicContact CE1-CD2 4.31Å; F50-F361 HydrophobicContact CE1-CG 4.08Å; F50-F361 HydrophobicContact CZ-CB 3.82Å; F50-F361 HydrophobicContact CZ-CG 4.28Å; F50-R362 HydrophobicContact CE2-CG 4.41Å |
| 51 | L | 98.7 | Very high | 98.5 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | trans | -62.3 | 148.4 | -173.4 | -70.1 | 169.4 | 0 | 0 | 0 | 111.9 | A48 F361 R362 H365 Y393 | A48-L51 HydrophobicContact CB-CD1 3.8Å; A48-L51 WeakPolarHBondContact O-CB 3.41Å; A48-L51 WeakPolarHBondContact O-CG 3.5Å; A48-L51 PolarHBondContact O-N 3.05Å; L51-F361 HydrophobicContact CD1-CB 4.32Å; L51-F361 HydrophobicContact CD2-CB 3.97Å; L51-F361 HydrophobicContact CG-CB 4.44Å; L51-R362 HydrophobicContact CD2-CG 4.13Å; L51-H365 HydrophobicContact CD1-CB 3.93Å; L51-H365 HydrophobicContact CD2-CB 3.96Å; L51-H365 HydrophobicContact CG-CB 4.48Å; L51-Y393 HydrophobicContact CD1-CE1 3.85Å; L51-Y393 HydrophobicContact CD1-CE2 4.16Å; L51-Y393 WeakPolarHBondContact CD1-OH 3.25Å | ||
| 52 | A | 98.5 | Very high | 98.4 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | trans | -112.3 | 139.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E305 E306 Q309 H365 N369 | A52-E305 HydrophobicContact CB-CG 4.29Å; A52-E306 HydrophobicContact CB-CB 4.21Å; A52-Q309 HydrophobicContact CB-CB 4.36Å; A52-H365 PolarHBondContact O-CD2 3.4Å; A52-H365 PolarHBondContact O-NE2 2.92Å; A52-N369 PolarHBondContact O-ND2 3.02Å | ||
| 53 | E | 98.4 | Very high | 98.4 | Very high | 145 Ų | 145 | 49.8 Ų | 49.8 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 157.6 | 171.4 | -64.6 | -61.5 | 143.5 | 0 | 0 | 112.3 | ||
| 54 | P | 98.1 | Very high | 98.3 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 16% | 0.156 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 140.6 | -180 | 27.1 | -31.9 | 0 | 0 | 0 | 111 | T58 N369 | P54-T58 HydrophobicContact CB-CG2 3.91Å; P54-N369 HydrophobicContact CB-CB 4.04Å; P54-N369 WeakPolarHBondContact CD-OD1 3.12Å; P54-N369 HydrophobicContact CG-CB 4.29Å |
| 55 | T | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -68 | 163.1 | 174 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | A57 T58 N59 E306 E310 | T55-A57 VanDerWaalsContact C-N 3.25Å; T55-A57 PolarHBondContact O-N 3.48Å; T55-A57 PolarHBondContact OG1-N 2.96Å; T55-T58 WeakPolarHBondContact O-CB 3.39Å; T55-T58 PolarHBondContact O-N 3.26Å; T55-T58 PolarHBondContact OG1-N 3.16Å; T55-T58 PolarHBondContact OG1-OG1 3.25Å; T55-N59 PolarHBondContact O-N 3.2Å; T55-N59 PolarHBondContact O-ND2 3.38Å; T55-E306 HydrophobicContact CG2-CG 3.65Å; T55-E310 HydrophobicContact CG2-CB 3.85Å; T55-E310 HydrophobicContact CG2-CG 4.11Å; T55-E310 WeakPolarHBondContact CG2-OE1 3.42Å; T55-E310 PolarHBondContact OG1-OE1 3.26Å |
| 56 | E | 98.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 44.8 Ų | 44.8 | 60% | 0.603 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -57.6 | -39.2 | 171.5 | -176.8 | 61.1 | -160.8 | 0 | 0 | 112 | N59 Q60 | E56-N59 PolarHBondContact O-N 3.43Å; E56-Q60 HydrophobicContact CG-CG 4.48Å; E56-Q60 VanDerWaalsContact O-CG 3.3Å; E56-Q60 WeakPolarHBondContact O-CG 3.33Å; E56-Q60 PolarHBondContact O-N 3.17Å; E56-Q60 PolarHBondContact OE1-NE2 2.99Å |
| 57 | A | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T55 N59 Q60 L61 E104 | T55-A57 VanDerWaalsContact C-N 3.25Å; T55-A57 PolarHBondContact O-N 3.48Å; T55-A57 PolarHBondContact OG1-N 2.96Å; A57-N59 VanDerWaalsContact C-N 3.32Å; A57-N59 PolarHBondContact O-N 2.93Å; A57-Q60 PolarHBondContact O-N 3.49Å; A57-L61 WeakPolarHBondContact O-CB 3.33Å; A57-L61 WeakPolarHBondContact O-CG 3.41Å; A57-L61 PolarHBondContact O-N 3.17Å; A57-E104 HydrophobicContact CB-CB 3.99Å |
| 58 | T | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.4 | -49 | 174.2 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | P54 T55 Q60 L61 W62 D313 H314 M317 M370 | P54-T58 HydrophobicContact CB-CG2 3.91Å; T55-T58 WeakPolarHBondContact O-CB 3.39Å; T55-T58 PolarHBondContact O-N 3.26Å; T55-T58 PolarHBondContact OG1-N 3.16Å; T55-T58 PolarHBondContact OG1-OG1 3.25Å; T58-Q60 PolarHBondContact O-N 2.98Å; T58-L61 PolarHBondContact O-N 3.3Å; T58-W62 WeakPolarHBondContact O-CB 3.18Å; T58-W62 PolarHBondContact O-N 3.35Å; T58-D313 HydrophobicContact CG2-CB 3.83Å; T58-H314 WeakPolarHBondContact CA-NE2 3.49Å; T58-H314 PolarHBondContact OG1-NE2 3.38Å; T58-M317 HydrophobicContact CG2-CE 4.34Å; T58-M370 HydrophobicContact CG2-CG 4Å; T58-M370 HydrophobicContact CG2-SD 4.21Å |
| 59 | N | 98.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 46.2 Ų | 46.2 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | -178.5 | -72.7 | -37.6 | 0 | 0 | 0 | 112.4 | T55 E56 A57 G63 | T55-N59 PolarHBondContact O-N 3.2Å; T55-N59 PolarHBondContact O-ND2 3.38Å; E56-N59 PolarHBondContact O-N 3.43Å; A57-N59 VanDerWaalsContact C-N 3.32Å; A57-N59 PolarHBondContact O-N 2.93Å; N59-G63 PolarHBondContact O-N 3.5Å |
| 60 | Q | 98.5 | Very high | 97.7 | Very high | 72 Ų | 72 | 45 Ų | 45 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.5 | -47.3 | 178.7 | -71.9 | 177.3 | 3.4 | 0 | 0 | 112.2 | E56 A57 T58 G63 K64 L101 | E56-Q60 HydrophobicContact CG-CG 4.48Å; E56-Q60 VanDerWaalsContact O-CG 3.3Å; E56-Q60 WeakPolarHBondContact O-CG 3.33Å; E56-Q60 PolarHBondContact O-N 3.17Å; E56-Q60 PolarHBondContact OE1-NE2 2.99Å; A57-Q60 PolarHBondContact O-N 3.49Å; T58-Q60 PolarHBondContact O-N 2.98Å; Q60-G63 PolarHBondContact O-N 3.43Å; Q60-K64 WeakPolarHBondContact O-CB 3.48Å; Q60-K64 PolarHBondContact O-N 2.97Å; Q60-L101 HydrophobicContact CB-CD1 4.28Å |
| 61 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 179.5 | -68.7 | 168.8 | 0 | 0 | 0 | 111.6 | A57 T58 K64 L65 I97 L101 E104 E105 M317 | A57-L61 WeakPolarHBondContact O-CB 3.33Å; A57-L61 WeakPolarHBondContact O-CG 3.41Å; A57-L61 PolarHBondContact O-N 3.17Å; T58-L61 PolarHBondContact O-N 3.3Å; L61-K64 PolarHBondContact O-N 3.2Å; L61-L65 WeakPolarHBondContact O-CB 3.36Å; L61-L65 PolarHBondContact O-N 2.93Å; L61-I97 HydrophobicContact CB-CD1 4.27Å; L61-I97 HydrophobicContact CD2-CB 4.24Å; L61-I97 HydrophobicContact CD2-CD1 4.18Å; L61-I97 HydrophobicContact CD2-CG2 4.41Å; L61-L101 HydrophobicContact CD2-CB 3.79Å; L61-L101 HydrophobicContact CD2-CD1 4.3Å; L61-E104 HydrophobicContact CD1-CB 4.31Å; L61-E104 HydrophobicContact CG-CB 4.48Å; L61-E105 HydrophobicContact CD1-CB 4.48Å; L61-E105 HydrophobicContact CD1-CG 3.87Å; L61-E105 HydrophobicContact CD2-CG 3.73Å; L61-E105 HydrophobicContact CG-CG 4.48Å; L61-M317 HydrophobicContact CB-CE 3.93Å; L61-M317 HydrophobicContact CB-SD 3.64Å |
| 62 | W | 98 | Very high | 97.4 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 176.8 | -175.9 | -122.3 | 0 | 0 | 0 | 111.5 | T58 K64 L65 Q66 M317 R320 M370 | T58-W62 WeakPolarHBondContact O-CB 3.18Å; T58-W62 PolarHBondContact O-N 3.35Å; W62-K64 VanDerWaalsContact C-N 3.28Å; W62-K64 PolarHBondContact O-N 3.32Å; W62-L65 HydrophobicContact CE3-CB 4.38Å; W62-L65 HydrophobicContact CE3-CD2 3.87Å; W62-L65 HydrophobicContact CE3-CG 4.41Å; W62-L65 HydrophobicContact CZ3-CD2 3.62Å; W62-L65 HydrophobicContact CZ3-CG 4.24Å; W62-L65 CarbonylContact O-C 3.05Å; W62-L65 PolarHBondContact O-N 2.9Å; W62-L65 VanDerWaalsContact O-N 3.12Å; W62-Q66 HydrophobicContact CD2-CG 4.2Å; W62-Q66 HydrophobicContact CG-CG 4.48Å; W62-Q66 HydrophobicContact CZ2-CG 4.06Å; W62-Q66 VanDerWaalsContact NE1-CD 3.34Å; W62-Q66 WeakPolarHBondContact O-CG 3.31Å; W62-Q66 PolarHBondContact O-N 3.02Å; W62-M317 HydrophobicContact CB-CE 3.78Å; W62-M317 HydrophobicContact CE3-CE 4.38Å; W62-M317 HydrophobicContact CE3-CG 4.17Å; W62-R320 VanDerWaalsContact CH2-NH1 3.33Å; W62-M370 HydrophobicContact CB-CG 4.45Å; W62-M370 HydrophobicContact CD2-CB 3.92Å; W62-M370 HydrophobicContact CD2-CG 4.22Å; W62-M370 HydrophobicContact CD2-SD 4.44Å; W62-M370 HydrophobicContact CE3-CB 4.41Å; W62-M370 HydrophobicContact CE3-SD 4.27Å; W62-M370 HydrophobicContact CG-CB 4.13Å; W62-M370 HydrophobicContact CG-CG 4.12Å; W62-M370 HydrophobicContact CZ2-CB 4.34Å; W62-M370 WeakPolarHBondContact CZ2-O 3.48Å; W62-M370 PolarHBondContact NE1-O 3.2Å |
| 63 | G | 97.3 | Very high | 97 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N59 Q60 L65 Q66 E67 | N59-G63 PolarHBondContact O-N 3.5Å; Q60-G63 PolarHBondContact O-N 3.43Å; G63-L65 PolarHBondContact O-N 3.35Å; G63-Q66 PolarHBondContact O-N 3.36Å; G63-E67 PolarHBondContact O-N 3.09Å; G63-E67 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 98.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 49.2 Ų | 49.2 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 176 | -170.9 | 68 | -166.5 | 165.8 | 0 | 112.7 | Q60 L61 W62 Q66 E67 L68 I97 D98 L101 | Q60-K64 WeakPolarHBondContact O-CB 3.48Å; Q60-K64 PolarHBondContact O-N 2.97Å; L61-K64 PolarHBondContact O-N 3.2Å; W62-K64 VanDerWaalsContact C-N 3.28Å; W62-K64 PolarHBondContact O-N 3.32Å; K64-Q66 VanDerWaalsContact C-N 3.33Å; K64-Q66 PolarHBondContact O-N 3.05Å; K64-E67 IonicContact NZ-OE2 2.69Å; K64-E67 PolarHBondContact NZ-OE2 3.5Å; K64-E67 WeakPolarHBondContact O-CB 3.3Å; K64-E67 PolarHBondContact O-N 3.35Å; K64-L68 WeakPolarHBondContact O-CG 3.43Å; K64-L68 PolarHBondContact O-N 3.48Å; K64-I97 HydrophobicContact CB-CG2 4.31Å; K64-I97 HydrophobicContact CG-CG2 4.22Å; K64-D98 VanDerWaalsContact CE-OD2 3.24Å; K64-D98 WeakPolarHBondContact CE-OD2 3.45Å; K64-D98 HydrophobicContact CG-CB 4.02Å; K64-L101 HydrophobicContact CB-CD1 4.38Å |
| 65 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 175.8 | -179.9 | 56.1 | 0 | 0 | 0 | 111.8 | L61 W62 G63 E67 L68 Q69 L116 M317 M321 | L61-L65 WeakPolarHBondContact O-CB 3.36Å; L61-L65 PolarHBondContact O-N 2.93Å; W62-L65 HydrophobicContact CE3-CB 4.38Å; W62-L65 HydrophobicContact CE3-CD2 3.87Å; W62-L65 HydrophobicContact CE3-CG 4.41Å; W62-L65 HydrophobicContact CZ3-CD2 3.62Å; W62-L65 HydrophobicContact CZ3-CG 4.24Å; W62-L65 CarbonylContact O-C 3.05Å; W62-L65 PolarHBondContact O-N 2.9Å; W62-L65 VanDerWaalsContact O-N 3.12Å; G63-L65 PolarHBondContact O-N 3.35Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.42Å; L65-Q69 HydrophobicContact CD1-CG 4.3Å; L65-Q69 HydrophobicContact CG-CG 4.45Å; L65-Q69 WeakPolarHBondContact O-CG 3.4Å; L65-Q69 PolarHBondContact O-N 3.08Å; L65-L116 HydrophobicContact CD1-CD1 4.13Å; L65-L116 HydrophobicContact CD1-CD2 4.19Å; L65-L116 HydrophobicContact CD1-CG 4.24Å; L65-M317 HydrophobicContact CD2-CG 3.71Å; L65-M321 HydrophobicContact CD1-CE 4.46Å; L65-M321 HydrophobicContact CD1-CG 3.72Å; L65-M321 HydrophobicContact CD1-SD 4.25Å; L65-M321 HydrophobicContact CD2-CG 3.52Å; L65-M321 HydrophobicContact CD2-SD 3.95Å; L65-M321 HydrophobicContact CG-CG 4.3Å |
| 66 | Q | 95.6 | Very high | 95.9 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 175 | -72.7 | -177.8 | -64.4 | 0 | 0 | 112.1 | W62 G63 K64 L68 Q69 K70 N731 | W62-Q66 HydrophobicContact CD2-CG 4.2Å; W62-Q66 HydrophobicContact CG-CG 4.48Å; W62-Q66 HydrophobicContact CZ2-CG 4.06Å; W62-Q66 VanDerWaalsContact NE1-CD 3.34Å; W62-Q66 WeakPolarHBondContact O-CG 3.31Å; W62-Q66 PolarHBondContact O-N 3.02Å; G63-Q66 PolarHBondContact O-N 3.36Å; K64-Q66 VanDerWaalsContact C-N 3.33Å; K64-Q66 PolarHBondContact O-N 3.05Å; Q66-L68 VanDerWaalsContact C-N 3.35Å; Q66-Q69 PolarHBondContact O-N 3.35Å; Q66-K70 WeakPolarHBondContact O-CB 3.34Å; Q66-K70 PolarHBondContact O-N 2.91Å; Q66-N731 PolarHBondContact NE2-ND2 3.44Å |
| 67 | E | 96.5 | Very high | 95.5 | Very high | 101 Ų | 101 | 49.9 Ų | 49.9 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 171.7 | -67.6 | 178.5 | 174 | 0 | 0 | 111.7 | G63 K64 L65 K70 Q71 | G63-E67 PolarHBondContact O-N 3.09Å; G63-E67 VanDerWaalsContact O-N 3.08Å; K64-E67 IonicContact NZ-OE2 2.69Å; K64-E67 PolarHBondContact NZ-OE2 3.5Å; K64-E67 WeakPolarHBondContact O-CB 3.3Å; K64-E67 PolarHBondContact O-N 3.35Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 2.89Å; E67-K70 WeakPolarHBondContact O-CB 3.34Å; E67-K70 PolarHBondContact O-N 3.26Å; E67-Q71 WeakPolarHBondContact O-CG 3.29Å; E67-Q71 PolarHBondContact O-N 3.45Å; E67-Q71 PolarHBondContact O-NE2 3.25Å |
| 68 | L | 97.5 | Very high | 95.2 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -39.5 | 178.6 | -65.2 | 170.3 | 0 | 0 | 0 | 111.9 | K64 L65 Q66 K70 Q71 E72 L79 P115 L116 | K64-L68 WeakPolarHBondContact O-CG 3.43Å; K64-L68 PolarHBondContact O-N 3.48Å; L65-L68 PolarHBondContact O-N 3.42Å; Q66-L68 VanDerWaalsContact C-N 3.35Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 2.7Å; L68-Q71 WeakPolarHBondContact O-CB 3.49Å; L68-Q71 PolarHBondContact O-N 3.34Å; L68-E72 PolarHBondContact O-N 2.56Å; L68-L79 HydrophobicContact CB-CD2 4.25Å; L68-L79 HydrophobicContact CD2-CD2 4.09Å; L68-P115 HydrophobicContact CD1-CB 3.87Å; L68-P115 HydrophobicContact CD1-CG 3.43Å; L68-P115 VanDerWaalsContact CD1-CG 3.43Å; L68-L116 HydrophobicContact CB-CD1 3.98Å |
| 69 | Q | 95.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -33.9 | 174.6 | -73.3 | -178.8 | -5.4 | 0 | 0 | 111.9 | L65 Q66 E72 R73 L116 K742 | L65-Q69 HydrophobicContact CD1-CG 4.3Å; L65-Q69 HydrophobicContact CG-CG 4.45Å; L65-Q69 WeakPolarHBondContact O-CG 3.4Å; L65-Q69 PolarHBondContact O-N 3.08Å; Q66-Q69 PolarHBondContact O-N 3.35Å; Q69-E72 WeakPolarHBondContact O-CB 3.22Å; Q69-E72 PolarHBondContact O-N 3.14Å; Q69-R73 WeakPolarHBondContact O-CG 3.4Å; Q69-R73 PolarHBondContact O-N 3Å; Q69-R73 PolarHBondContact O-NH1 3.39Å; Q69-L116 HydrophobicContact CG-CD1 3.98Å; Q69-K742 VanDerWaalsContact OE1-NZ 3.09Å |
| 70 | K | 94.1 | Very high | 95 | Very high | 113 Ų | 113 | 49.5 Ų | 49.5 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 172.4 | -176.3 | 179 | 175.1 | 179.9 | 0 | 111 | Q66 E67 L68 E72 R73 E74 | Q66-K70 WeakPolarHBondContact O-CB 3.34Å; Q66-K70 PolarHBondContact O-N 2.91Å; E67-K70 WeakPolarHBondContact O-CB 3.34Å; E67-K70 PolarHBondContact O-N 3.26Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 2.7Å; K70-E72 VanDerWaalsContact C-N 3.32Å; K70-E72 PolarHBondContact O-N 3.09Å; K70-R73 PolarHBondContact O-N 3.06Å; K70-E74 WeakPolarHBondContact CE-OE1 3.4Å; K70-E74 WeakPolarHBondContact O-CG 3.22Å; K70-E74 PolarHBondContact O-N 2.92Å |
| 71 | Q | 95.9 | Very high | 95 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -39.5 | 174.2 | -68.3 | 168.1 | 48.1 | 0 | 0 | 111.9 | E67 L68 R73 E74 N75 L79 | E67-Q71 WeakPolarHBondContact O-CG 3.29Å; E67-Q71 PolarHBondContact O-N 3.45Å; E67-Q71 PolarHBondContact O-NE2 3.25Å; L68-Q71 WeakPolarHBondContact O-CB 3.49Å; L68-Q71 PolarHBondContact O-N 3.34Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 2.72Å; Q71-E74 PolarHBondContact O-N 2.63Å; Q71-N75 WeakPolarHBondContact O-CB 3.38Å; Q71-N75 PolarHBondContact O-N 2.83Å; Q71-L79 HydrophobicContact CB-CD1 3.64Å |
| 72 | E | 94.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.6 | -47 | 173.6 | -178.8 | 174.3 | -120.9 | 0 | 0 | 111 | L68 Q69 K70 N75 G76 G77 V78 L79 R118 K323 | L68-E72 PolarHBondContact O-N 2.56Å; Q69-E72 WeakPolarHBondContact O-CB 3.22Å; Q69-E72 PolarHBondContact O-N 3.14Å; K70-E72 VanDerWaalsContact C-N 3.32Å; K70-E72 PolarHBondContact O-N 3.09Å; E72-N75 CarbonylContact O-C 3.29Å; E72-N75 PolarHBondContact O-N 3.09Å; E72-G76 PolarHBondContact O-N 3.11Å; E72-G77 VanDerWaalsContact CG-C 3.41Å; E72-G77 WeakPolarHBondContact CG-O 3.35Å; E72-G77 VanDerWaalsContact O-CA 3.28Å; E72-G77 WeakPolarHBondContact O-CA 3.49Å; E72-G77 PolarHBondContact O-N 3.26Å; E72-V78 PolarHBondContact O-N 2.98Å; E72-L79 HydrophobicContact CB-CB 4.12Å; E72-L79 HydrophobicContact CG-CB 4.43Å; E72-R118 IonicContact OE1-NH2 3.06Å; E72-K323 VanDerWaalsContact OE1-CE 3.27Å; E72-K323 WeakPolarHBondContact OE1-CE 3.27Å; E72-K323 IonicContact OE1-NZ 3.7Å; E72-K323 PolarHBondContact OE1-NZ 3.17Å; E72-K323 VanDerWaalsContact OE2-CE 3.3Å; E72-K323 WeakPolarHBondContact OE2-CE 3.31Å; E72-K323 IonicContact OE2-NZ 2.77Å; E72-K323 PolarHBondContact OE2-NZ 3.07Å |
| 73 | R | 90.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 176.4 | -69.7 | -169.6 | -57.2 | -82.3 | 6.8 | 112.3 | Q69 K70 Q71 N75 G76 | Q69-R73 WeakPolarHBondContact O-CG 3.4Å; Q69-R73 PolarHBondContact O-N 3Å; Q69-R73 PolarHBondContact O-NH1 3.39Å; K70-R73 PolarHBondContact O-N 3.06Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 2.72Å; R73-N75 PolarHBondContact O-N 3.48Å; R73-G76 PolarHBondContact O-N 3.03Å; R73-G76 VanDerWaalsContact O-N 3.08Å |
| 74 | E | 91.8 | Very high | 94.7 | Very high | 140 Ų | 140 | 50.5 Ų | 50.5 | 65% | 0.654 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.7 | -27.2 | 177.1 | -71.4 | 172.4 | 179.1 | 0 | 0 | 112.4 | K70 Q71 G76 | K70-E74 WeakPolarHBondContact CE-OE1 3.4Å; K70-E74 WeakPolarHBondContact O-CG 3.22Å; K70-E74 PolarHBondContact O-N 2.92Å; Q71-E74 PolarHBondContact O-N 2.63Å; E74-G76 VanDerWaalsContact C-N 3.34Å |
| 75 | N | 91.7 | Very high | 94.6 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 21.1 | 175.8 | -158.1 | 34.8 | 0 | 0 | 0 | 114 | Q71 E72 R73 V78 | Q71-N75 WeakPolarHBondContact O-CB 3.38Å; Q71-N75 PolarHBondContact O-N 2.83Å; E72-N75 CarbonylContact O-C 3.29Å; E72-N75 PolarHBondContact O-N 3.09Å; R73-N75 PolarHBondContact O-N 3.48Å; N75-V78 WeakPolarHBondContact CB-O 3.49Å; N75-V78 PolarHBondContact ND2-O 2.84Å |
| 76 | G | 87.7 | Confident | 94.6 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 27.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E72 R73 E74 | E72-G76 PolarHBondContact O-N 3.11Å; R73-G76 PolarHBondContact O-N 3.03Å; R73-G76 VanDerWaalsContact O-N 3.08Å; E74-G76 VanDerWaalsContact C-N 3.34Å |
| 77 | G | 89.4 | Confident | 94.7 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 1.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E72 R118 | E72-G77 VanDerWaalsContact CG-C 3.41Å; E72-G77 WeakPolarHBondContact CG-O 3.35Å; E72-G77 VanDerWaalsContact O-CA 3.28Å; E72-G77 WeakPolarHBondContact O-CA 3.49Å; E72-G77 PolarHBondContact O-N 3.26Å; G77-R118 PolarHBondContact O-NH2 3.27Å |
| 78 | V | 93.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -132.9 | 119.3 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | E72 N75 M81 R118 Y136 | E72-V78 PolarHBondContact O-N 2.98Å; N75-V78 WeakPolarHBondContact CB-O 3.49Å; N75-V78 PolarHBondContact ND2-O 2.84Å; V78-M81 HydrophobicContact CG1-CG 3.6Å; V78-M81 HydrophobicContact CG1-SD 4.15Å; V78-R118 HydrophobicContact CG1-CG 4.4Å; V78-Y136 HydrophobicContact CB-CD1 3.81Å; V78-Y136 HydrophobicContact CB-CD2 4.46Å; V78-Y136 HydrophobicContact CB-CE1 3.78Å; V78-Y136 HydrophobicContact CB-CE2 4.46Å; V78-Y136 HydrophobicContact CB-CG 4.17Å; V78-Y136 HydrophobicContact CG1-CG 4.43Å; V78-Y136 HydrophobicContact CG2-CD1 3.81Å; V78-Y136 HydrophobicContact CG2-CD2 3.98Å; V78-Y136 HydrophobicContact CG2-CE1 3.33Å; V78-Y136 HydrophobicContact CG2-CE2 3.55Å; V78-Y136 HydrophobicContact CG2-CG 4.12Å | ||
| 79 | L | 96.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -74.5 | -52.8 | 179.2 | -174.8 | 65.1 | 0 | 0 | 0 | 112.3 | L68 Q71 E72 L116 | L68-L79 HydrophobicContact CB-CD2 4.25Å; L68-L79 HydrophobicContact CD2-CD2 4.09Å; Q71-L79 HydrophobicContact CB-CD1 3.64Å; E72-L79 HydrophobicContact CB-CB 4.12Å; E72-L79 HydrophobicContact CG-CB 4.43Å; L79-L116 HydrophobicContact CB-CB 4.25Å; L79-L116 HydrophobicContact CD2-CB 4.03Å; L79-L116 HydrophobicContact CD2-CD1 4.32Å |
| 80 | D | 97.1 | Very high | 94.9 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.5 | -175.4 | -165.7 | 1 | 0 | 0 | 0 | 109.9 | K114 K117 R118 Y138 | D80-K114 IonicContact OD2-NZ 3.83Å; D80-K114 PolarHBondContact OD2-NZ 2.94Å; D80-K117 HydrophobicContact CB-CB 3.91Å; D80-K117 HydrophobicContact CB-CG 3.95Å; D80-K117 WeakPolarHBondContact O-CA 3.25Å; D80-R118 PolarHBondContact O-N 2.86Å; D80-Y138 WeakPolarHBondContact CA-OH 3.41Å; D80-Y138 PolarHBondContact OD1-OH 3.33Å |
| 81 | M | 97.2 | Very high | 95 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142 | 177.8 | -63.3 | -169.1 | 72 | 0 | 0 | 112.1 | V78 R118 L133 Y136 Y138 A325 | V78-M81 HydrophobicContact CG1-CG 3.6Å; V78-M81 HydrophobicContact CG1-SD 4.15Å; M81-R118 HydrophobicContact CG-CB 4.41Å; M81-L133 HydrophobicContact CB-CD2 3.9Å; M81-L133 HydrophobicContact CE-CD2 3.77Å; M81-L133 HydrophobicContact CE-CG 4.3Å; M81-L133 HydrophobicContact SD-CD2 4.21Å; M81-Y136 HydrophobicContact SD-CD2 3.7Å; M81-Y136 HydrophobicContact SD-CG 4.09Å; M81-Y138 HydrophobicContact CB-CD1 4.16Å; M81-Y138 HydrophobicContact CB-CD2 3.95Å; M81-Y138 HydrophobicContact CB-CE1 4.05Å; M81-Y138 HydrophobicContact CB-CE2 3.86Å; M81-Y138 HydrophobicContact CB-CG 4.13Å; M81-Y138 HydrophobicContact CG-CD2 4.14Å; M81-Y138 HydrophobicContact CG-CE2 3.92Å; M81-Y138 PolarHBondContact N-OH 2.73Å; M81-Y138 HydrophobicContact SD-CD2 4.06Å; M81-Y138 HydrophobicContact SD-CE2 4.3Å; M81-A325 HydrophobicContact CE-CB 3.54Å |
| 82 | E | 96.8 | Very high | 95.1 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137.8 | 168.4 | -176.5 | 56.5 | -105.7 | 0 | 0 | 111.1 | D84 V85 Y92 K117 R118 F120 L133 | E82-D84 WeakPolarHBondContact OE1-CA 3.39Å; E82-D84 PolarHBondContact OE1-N 2.89Å; E82-V85 HydrophobicContact CG-CB 3.88Å; E82-V85 WeakPolarHBondContact CG-O 3.32Å; E82-V85 PolarHBondContact OE1-N 3.34Å; E82-Y92 HydrophobicContact CG-CE1 4.2Å; E82-Y92 WeakPolarHBondContact CG-OH 3.4Å; E82-K117 WeakPolarHBondContact OE2-CE 3.39Å; E82-K117 IonicContact OE2-NZ 2.77Å; E82-K117 PolarHBondContact OE2-NZ 2.99Å; E82-R118 PolarHBondContact N-O 2.7Å; E82-F120 HydrophobicContact CB-CB 4.37Å; E82-F120 HydrophobicContact CG-CB 4.25Å; E82-F120 WeakPolarHBondContact O-CB 3.39Å; E82-L133 WeakPolarHBondContact O-CD2 3.35Å |
| 83 | A | 96 | Very high | 95.1 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | -17.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L133 N141 | A83-L133 HydrophobicContact CB-CD1 3.95Å; A83-L133 HydrophobicContact CB-CD2 4.05Å; A83-N141 WeakPolarHBondContact O-CB 3.39Å |
| 84 | D | 95.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 39.2 Ų | 39.2 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -12.1 | -168.6 | -69.5 | -45.5 | 0 | 0 | 0 | 113.6 | E82 N141 Y144 | E82-D84 WeakPolarHBondContact OE1-CA 3.39Å; E82-D84 PolarHBondContact OE1-N 2.89Å; D84-N141 PolarHBondContact OD1-ND2 2.88Å; D84-Y144 WeakPolarHBondContact O-CE2 3.17Å; D84-Y144 PolarHBondContact O-OH 3.4Å |
| 85 | V | 96.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116.9 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | E82 S87 A91 Y92 F120 | E82-V85 HydrophobicContact CG-CB 3.88Å; E82-V85 WeakPolarHBondContact CG-O 3.32Å; E82-V85 PolarHBondContact OE1-N 3.34Å; V85-S87 PolarHBondContact O-N 3.13Å; V85-A91 HydrophobicContact CG1-CB 4Å; V85-Y92 HydrophobicContact CB-CE1 3.99Å; V85-Y92 HydrophobicContact CG1-CD1 4.42Å; V85-Y92 HydrophobicContact CG1-CE1 3.94Å; V85-F120 WeakPolarHBondContact O-CB 3.35Å |
| 86 | V | 97.6 | Very high | 96 | Very high | 27 Ų | 27 | 30.5 Ų | 30.5 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 123.2 | 169.4 | 176.1 | 0 | 0 | 0 | 0 | 108.7 | A91 F120 P122 Y123 Y144 F148 | V86-A91 WeakPolarHBondContact O-CB 3.47Å; V86-F120 HydrophobicContact CG2-CD1 4.11Å; V86-F120 HydrophobicContact CG2-CE1 4.28Å; V86-P122 HydrophobicContact CG1-CG 4.04Å; V86-P122 HydrophobicContact CG2-CG 4.11Å; V86-Y123 HydrophobicContact CG1-CD2 4.4Å; V86-Y123 HydrophobicContact CG1-CE2 3.66Å; V86-Y144 HydrophobicContact CG2-CD1 3.61Å; V86-Y144 HydrophobicContact CG2-CD2 4.34Å; V86-Y144 HydrophobicContact CG2-CE1 3.47Å; V86-Y144 VanDerWaalsContact CG2-CE1 3.47Å; V86-Y144 HydrophobicContact CG2-CE2 4.22Å; V86-Y144 HydrophobicContact CG2-CG 4.09Å; V86-F148 HydrophobicContact CG1-CZ 4.29Å; V86-F148 HydrophobicContact CG2-CE2 3.94Å; V86-F148 HydrophobicContact CG2-CZ 4.33Å |
| 87 | S | 97.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | trans | -64.4 | 138.9 | -176 | -156.4 | 0 | 0 | 0 | 0 | 112.7 | V85 F120 K274 | V85-S87 PolarHBondContact O-N 3.13Å; S87-F120 WeakPolarHBondContact CB-O 3.22Å; S87-F120 PolarHBondContact N-O 2.96Å; S87-K274 VanDerWaalsContact CB-O 3.28Å; S87-K274 WeakPolarHBondContact CB-O 3.47Å; S87-K274 PolarHBondContact OG-O 2.82Å | ||
| 88 | A | 97.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 28.6 Ų | 28.6 | 21% | 0.207 | 18% | 0.177 | C | C | . | . | trans | -155.8 | 166.3 | 167 | 0 | 0 | 0 | 0 | 0 | 108.1 | N90 A91 | A88-N90 PolarHBondContact O-N 3.27Å; A88-N90 VanDerWaalsContact O-N 3.14Å; A88-A91 HydrophobicContact CB-CB 4Å; A88-A91 WeakPolarHBondContact O-CB 3.36Å; A88-A91 PolarHBondContact O-N 3.38Å; A88-A91 VanDerWaalsContact O-N 3.1Å | ||
| 89 | A | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -39.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R239 M243 A271 K274 E275 | A89-R239 HydrophobicContact CB-CB 4.12Å; A89-M243 HydrophobicContact CB-SD 4.22Å; A89-M243 VanDerWaalsContact O-CB 3.32Å; A89-M243 WeakPolarHBondContact O-CB 3.29Å; A89-M243 WeakPolarHBondContact O-CG 3.4Å; A89-A271 HydrophobicContact CB-CB 3.93Å; A89-K274 WeakPolarHBondContact O-CD 3.48Å; A89-E275 HydrophobicContact CB-CG 4.13Å; A89-E275 VanDerWaalsContact CB-OE1 3.3Å; A89-E275 WeakPolarHBondContact CB-OE1 3.43Å; A89-E275 PolarHBondContact N-OE1 3.41Å |
| 90 | N | 97.1 | Very high | 97 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 17.5 | -178.9 | 66.9 | -15.7 | 0 | 0 | 0 | 114.1 | A88 E242 | A88-N90 PolarHBondContact O-N 3.27Å; A88-N90 VanDerWaalsContact O-N 3.14Å; N90-E242 HydrophobicContact CB-CB 4.19Å; N90-E242 PolarHBondContact ND2-OE2 3.46Å |
| 91 | A | 97.4 | Very high | 97 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -76.2 | -26.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V85 V86 A88 | V85-A91 HydrophobicContact CG1-CB 4Å; V86-A91 WeakPolarHBondContact O-CB 3.47Å; A88-A91 HydrophobicContact CB-CB 4Å; A88-A91 WeakPolarHBondContact O-CB 3.36Å; A88-A91 PolarHBondContact O-N 3.38Å; A88-A91 VanDerWaalsContact O-N 3.1Å |
| 92 | Y | 96.8 | Very high | 97 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 8% | 0.082 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -112.9 | 156 | -179.4 | -54.7 | -91 | 0 | 0 | 0 | 110.2 | E82 V85 Q111 T112 | E82-Y92 HydrophobicContact CG-CE1 4.2Å; E82-Y92 WeakPolarHBondContact CG-OH 3.4Å; V85-Y92 HydrophobicContact CB-CE1 3.99Å; V85-Y92 HydrophobicContact CG1-CD1 4.42Å; V85-Y92 HydrophobicContact CG1-CE1 3.94Å; Y92-Q111 WeakPolarHBondContact CD2-O 3.32Å; Y92-T112 HydrophobicContact CE1-CG2 4.04Å; Y92-T112 HydrophobicContact CE2-CG2 4.16Å |
| 93 | G | 94.7 | Very high | 97 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 49% | 0.485 | 28% | 0.275 | S | S | . | . | trans | -71.2 | -172 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G95 | G93-G95 PolarHBondContact O-N 2.62Š| ||
| 94 | A | 97.1 | Very high | 97.1 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | trans | -67.8 | 129.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y96 A246 Y247 | A94-Y96 HydrophobicContact CB-CE2 4.02Å; A94-A246 WeakPolarHBondContact CB-O 3.23Å; A94-Y247 VanDerWaalsContact CA-CZ 3.49Å; A94-Y247 HydrophobicContact CB-CD1 3.6Å; A94-Y247 HydrophobicContact CB-CD2 4.15Å; A94-Y247 HydrophobicContact CB-CE1 3.58Å; A94-Y247 HydrophobicContact CB-CE2 4.13Å; A94-Y247 HydrophobicContact CB-CG 3.9Å | ||
| 95 | G | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | trans | -120 | 147.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G93 I110 Y247 | G93-G95 PolarHBondContact O-N 2.62Å; G95-I110 WeakPolarHBondContact O-CG1 3.41Å; G95-Y247 PolarHBondContact N-OH 3.14Å; G95-Y247 VanDerWaalsContact O-CE1 3.24Å; G95-Y247 WeakPolarHBondContact O-CE1 3.48Å; G95-Y247 PolarHBondContact O-OH 2.94Å | ||
| 96 | Y | 98.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 18% | 0.18 | 26% | 0.257 | C | S | . | . | trans | -126.1 | 163.2 | -174.5 | -61.8 | -79.1 | 0 | 0 | 0 | 110.3 | A94 D98 E99 K102 E105 V108 P115 Y247 | A94-Y96 HydrophobicContact CB-CE2 4.02Å; Y96-D98 VanDerWaalsContact C-N 3.3Å; Y96-E99 WeakPolarHBondContact CD2-OE1 3.34Å; Y96-K102 HydrophobicContact CD1-CB 3.59Å; Y96-K102 HydrophobicContact CD2-CB 4.13Å; Y96-K102 HydrophobicContact CD2-CD 4.21Å; Y96-K102 HydrophobicContact CE1-CB 4.05Å; Y96-K102 HydrophobicContact CE2-CD 4.13Å; Y96-K102 HydrophobicContact CG-CB 3.63Å; Y96-E105 WeakPolarHBondContact CA-OE1 3.45Å; Y96-E105 VanDerWaalsContact CB-OE1 3.25Å; Y96-E105 WeakPolarHBondContact CB-OE1 3.24Å; Y96-V108 HydrophobicContact CD1-CG1 4.25Å; Y96-V108 HydrophobicContact CE1-CB 4.26Å; Y96-V108 HydrophobicContact CE1-CG1 3.91Å; Y96-P115 WeakPolarHBondContact O-CD 3.38Å; Y96-Y247 HydrophobicContact CE1-CD1 4.25Å; Y96-Y247 HydrophobicContact CE1-CE1 4.35Å | ||
| 97 | I | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -61.7 | -44.2 | 175.1 | -67.8 | 169.1 | 0 | 0 | 0 | 109.8 | L61 K64 E105 M317 M321 | L61-I97 HydrophobicContact CB-CD1 4.27Å; L61-I97 HydrophobicContact CD2-CB 4.24Å; L61-I97 HydrophobicContact CD2-CD1 4.18Å; L61-I97 HydrophobicContact CD2-CG2 4.41Å; K64-I97 HydrophobicContact CB-CG2 4.31Å; K64-I97 HydrophobicContact CG-CG2 4.22Å; I97-E105 PolarHBondContact N-OE1 3.17Å; I97-M317 HydrophobicContact CD1-CG 4.2Å; I97-M317 HydrophobicContact CD1-SD 3.48Å; I97-M317 WeakPolarHBondContact CD1-SD 3.11Å; I97-M321 HydrophobicContact CD1-SD 4Å; I97-M321 HydrophobicContact CG1-CE 3.79Å; I97-M321 HydrophobicContact CG1-SD 3.76Å |
| 98 | D | 97.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 44.9 Ų | 44.9 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | trans | -151.4 | 133.4 | 174.2 | -174 | -71.2 | 0 | 0 | 0 | 108.8 | K64 Y96 I100 L101 K102 | K64-D98 VanDerWaalsContact CE-OD2 3.24Å; K64-D98 WeakPolarHBondContact CE-OD2 3.45Å; K64-D98 HydrophobicContact CG-CB 4.02Å; Y96-D98 VanDerWaalsContact C-N 3.3Å; D98-I100 PolarHBondContact O-N 3.1Å; D98-I100 WeakPolarHBondContact OD1-CA 3.5Å; D98-I100 WeakPolarHBondContact OD1-CB 3.31Å; D98-I100 PolarHBondContact OD1-N 2.74Å; D98-L101 HydrophobicContact CB-CB 4.2Å; D98-L101 HydrophobicContact CB-CD1 4.33Å; D98-L101 HydrophobicContact CB-CG 4.29Å; D98-L101 CarbonylContact O-C 3.54Å; D98-L101 PolarHBondContact O-N 3.3Å; D98-L101 VanDerWaalsContact O-N 3.12Å; D98-L101 PolarHBondContact OD1-N 2.88Å; D98-K102 PolarHBondContact O-N 3.32Å | ||
| 99 | E | 96.2 | Very high | 97.5 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.6 | -177.5 | -90 | -66.8 | 167.1 | 0 | 0 | 113.6 | Y96 K102 | Y96-E99 WeakPolarHBondContact CD2-OE1 3.34Å; E99-K102 WeakPolarHBondContact OE2-CD 3.43Å; E99-K102 IonicContact OE2-NZ 3.91Å; E99-K102 PolarHBondContact OE2-NZ 2.85Å |
| 100 | I | 97.3 | Very high | 97.6 | Very high | 152 Ų | 152 | 44 Ų | 44 | 78% | 0.779 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -34.4 | 176.1 | -56.8 | 174.8 | 0 | 0 | 0 | 110.1 | D98 | D98-I100 PolarHBondContact O-N 3.1Å; D98-I100 WeakPolarHBondContact OD1-CA 3.5Å; D98-I100 WeakPolarHBondContact OD1-CB 3.31Å; D98-I100 PolarHBondContact OD1-N 2.74Å |
| 101 | L | 97.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 17% | 0.173 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 6.1 | -177.2 | -57.6 | 178.1 | 0 | 0 | 0 | 113.9 | Q60 L61 K64 D98 D103 E104 | Q60-L101 HydrophobicContact CB-CD1 4.28Å; L61-L101 HydrophobicContact CD2-CB 3.79Å; L61-L101 HydrophobicContact CD2-CD1 4.3Å; K64-L101 HydrophobicContact CB-CD1 4.38Å; D98-L101 HydrophobicContact CB-CB 4.2Å; D98-L101 HydrophobicContact CB-CD1 4.33Å; D98-L101 HydrophobicContact CB-CG 4.29Å; D98-L101 CarbonylContact O-C 3.54Å; D98-L101 PolarHBondContact O-N 3.3Å; D98-L101 VanDerWaalsContact O-N 3.12Å; D98-L101 PolarHBondContact OD1-N 2.88Å; L101-D103 PolarHBondContact O-N 3.4Å; L101-D103 VanDerWaalsContact O-N 3.11Å; L101-E104 HydrophobicContact CD2-CG 4.47Å; L101-E104 WeakPolarHBondContact O-CA 3.5Å; L101-E104 VanDerWaalsContact O-CB 3.26Å; L101-E104 WeakPolarHBondContact O-CB 3.48Å; L101-E104 PolarHBondContact O-N 3.22Å |
| 102 | K | 96.9 | Very high | 97.7 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -58.7 | -30.2 | -173.8 | 71.5 | -179.4 | 168.9 | -158.9 | 0 | 114.6 | Y96 D98 E99 E104 E105 | Y96-K102 HydrophobicContact CD1-CB 3.59Å; Y96-K102 HydrophobicContact CD2-CB 4.13Å; Y96-K102 HydrophobicContact CD2-CD 4.21Å; Y96-K102 HydrophobicContact CE1-CB 4.05Å; Y96-K102 HydrophobicContact CE2-CD 4.13Å; Y96-K102 HydrophobicContact CG-CB 3.63Å; D98-K102 PolarHBondContact O-N 3.32Å; E99-K102 WeakPolarHBondContact OE2-CD 3.43Å; E99-K102 IonicContact OE2-NZ 3.91Å; E99-K102 PolarHBondContact OE2-NZ 2.85Å; K102-E104 PolarHBondContact O-N 2.96Å; K102-E105 WeakPolarHBondContact O-CB 3.36Å; K102-E105 PolarHBondContact O-N 3.46Å |
| 103 | D | 97.2 | Very high | 97.7 | Very high | 146 Ų | 146 | 42.2 Ų | 42.2 | 78% | 0.781 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -75.8 | -16.3 | 179.4 | -66.5 | -34.8 | 0 | 0 | 0 | 111.8 | L101 | L101-D103 PolarHBondContact O-N 3.4Å; L101-D103 VanDerWaalsContact O-N 3.11Å |
| 104 | E | 98 | Very high | 97.8 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -81.4 | -17 | 172.6 | -55.1 | -59.2 | 154.8 | 0 | 0 | 112 | A57 L61 L101 K102 A106 H314 | A57-E104 HydrophobicContact CB-CB 3.99Å; L61-E104 HydrophobicContact CD1-CB 4.31Å; L61-E104 HydrophobicContact CG-CB 4.48Å; L101-E104 HydrophobicContact CD2-CG 4.47Å; L101-E104 WeakPolarHBondContact O-CA 3.5Å; L101-E104 VanDerWaalsContact O-CB 3.26Å; L101-E104 WeakPolarHBondContact O-CB 3.48Å; L101-E104 PolarHBondContact O-N 3.22Å; K102-E104 PolarHBondContact O-N 2.96Å; E104-A106 PolarHBondContact O-N 3.42Å; E104-H314 PolarHBondContact O-CE1 3.3Å |
| 105 | E | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | trans | -72.7 | 95.8 | 179.2 | -66.8 | -171.3 | -134.1 | 0 | 0 | 111.6 | L61 Y96 I97 K102 I107 V108 K318 | L61-E105 HydrophobicContact CD1-CB 4.48Å; L61-E105 HydrophobicContact CD1-CG 3.87Å; L61-E105 HydrophobicContact CD2-CG 3.73Å; L61-E105 HydrophobicContact CG-CG 4.48Å; Y96-E105 WeakPolarHBondContact CA-OE1 3.45Å; Y96-E105 VanDerWaalsContact CB-OE1 3.25Å; Y96-E105 WeakPolarHBondContact CB-OE1 3.24Å; I97-E105 PolarHBondContact N-OE1 3.17Å; K102-E105 WeakPolarHBondContact O-CB 3.36Å; K102-E105 PolarHBondContact O-N 3.46Å; E105-I107 PolarHBondContact O-N 2.98Å; E105-V108 HydrophobicContact CB-CG1 3.75Å; E105-K318 WeakPolarHBondContact OE2-CE 3.17Å; E105-K318 IonicContact OE2-NZ 2.88Å; E105-K318 PolarHBondContact OE2-NZ 3.32Å | ||
| 106 | A | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -58.9 | -31.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E104 K259 E310 L311 H314 | E104-A106 PolarHBondContact O-N 3.42Å; A106-K259 WeakPolarHBondContact O-CE 3.32Å; A106-E310 HydrophobicContact CB-CG 4.15Å; A106-L311 HydrophobicContact CB-CD2 4.02Å; A106-H314 VanDerWaalsContact CB-ND1 3.26Å; A106-H314 WeakPolarHBondContact CB-ND1 3.24Å; A106-H314 PolarHBondContact N-ND1 3.11Å |
| 107 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -127.3 | 125.1 | 173.2 | -57.3 | -62.5 | 0 | 0 | 0 | 108.7 | E105 V262 Q263 Y266 L311 H314 K318 | E105-I107 PolarHBondContact O-N 2.98Å; I107-V262 HydrophobicContact CD1-CB 3.76Å; I107-V262 HydrophobicContact CD1-CG1 3.41Å; I107-V262 VanDerWaalsContact CD1-CG1 3.41Å; I107-V262 HydrophobicContact CG1-CG1 3.75Å; I107-Q263 HydrophobicContact CD1-CB 4.04Å; I107-Y266 HydrophobicContact CG2-CD1 3.96Å; I107-Y266 HydrophobicContact CG2-CG 4.34Å; I107-L311 HydrophobicContact CD1-CD2 3.98Å; I107-L311 HydrophobicContact CG1-CD2 4.36Å; I107-H314 HydrophobicContact CB-CB 3.98Å; I107-H314 HydrophobicContact CG1-CB 4.12Å; I107-K318 WeakPolarHBondContact O-CE 3.36Å; I107-K318 PolarHBondContact O-NZ 2.99Å |
| 108 | V | 98.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | trans | -113.3 | 162.8 | -174.6 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | Y96 E105 Y247 F249 Q263 Y266 F267 | Y96-V108 HydrophobicContact CD1-CG1 4.25Å; Y96-V108 HydrophobicContact CE1-CB 4.26Å; Y96-V108 HydrophobicContact CE1-CG1 3.91Å; E105-V108 HydrophobicContact CB-CG1 3.75Å; V108-Y247 HydrophobicContact CB-CD1 3.9Å; V108-Y247 HydrophobicContact CB-CE1 4.22Å; V108-Y247 HydrophobicContact CG2-CD1 3.59Å; V108-Y247 HydrophobicContact CG2-CE1 4.34Å; V108-Y247 HydrophobicContact CG2-CG 4.09Å; V108-F249 HydrophobicContact CG2-CD2 4.3Å; V108-F249 HydrophobicContact CG2-CE2 3.53Å; V108-F249 HydrophobicContact CG2-CZ 4.29Å; V108-Q263 PolarHBondContact O-NE2 2.99Å; V108-Y266 WeakPolarHBondContact O-CD1 3.4Å; V108-Y266 WeakPolarHBondContact O-CE1 3.48Å; V108-F267 HydrophobicContact CG2-CZ 4.24Å | ||
| 109 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | 122.4 | 131.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y247 Y266 K318 | G109-Y247 VanDerWaalsContact CA-CZ 3.47Å; G109-Y247 WeakPolarHBondContact CA-OH 3.36Å; G109-Y266 WeakPolarHBondContact O-CE1 3.46Å; G109-Y266 PolarHBondContact O-OH 3.5Å; G109-K318 VanDerWaalsContact O-CD 3.26Å; G109-K318 WeakPolarHBondContact O-CD 3.45Å; G109-K318 WeakPolarHBondContact O-CE 3.09Å | ||
| 110 | I | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | trans | -143.8 | 161.3 | 172.8 | 65.1 | -175.8 | 0 | 0 | 0 | 109.9 | G95 T112 Y247 K274 K318 M321 | G95-I110 WeakPolarHBondContact O-CG1 3.41Å; I110-T112 VanDerWaalsContact C-N 3.34Å; I110-T112 WeakPolarHBondContact CG1-O 3.31Å; I110-T112 PolarHBondContact O-N 3.4Å; I110-Y247 PolarHBondContact N-OH 3.3Å; I110-Y247 VanDerWaalsContact N-OH 3.1Å; I110-K274 WeakPolarHBondContact O-CE 3.23Å; I110-K274 PolarHBondContact O-NZ 2.79Å; I110-K318 HydrophobicContact CG2-CD 4.24Å; I110-M321 HydrophobicContact CG2-CE 3.64Å | ||
| 111 | Q | 98.3 | Very high | 97.8 | Very high | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -63.8 | -32.4 | -171.7 | -77.7 | 173.5 | -80.5 | 0 | 0 | 114.4 | Y92 I273 K274 V322 K323 | Y92-Q111 WeakPolarHBondContact CD2-O 3.32Å; Q111-I273 HydrophobicContact CG-CB 4.33Å; Q111-I273 HydrophobicContact CG-CD1 3.61Å; Q111-I273 HydrophobicContact CG-CG1 3.8Å; Q111-I273 PolarHBondContact NE2-O 3.36Å; Q111-K274 WeakPolarHBondContact O-CG 3.5Å; Q111-K274 PolarHBondContact O-NZ 2.97Å; Q111-V322 VanDerWaalsContact OE1-CA 3.31Å; Q111-K323 PolarHBondContact NE2-O 3.44Å; Q111-K323 VanDerWaalsContact NE2-O 3.08Å; Q111-K323 PolarHBondContact OE1-O 3.22Å; Q111-K323 VanDerWaalsContact OE1-O 3.13Å |
| 112 | T | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -123.4 | -148.4 | -179.9 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | Y92 I110 K114 K117 A119 | Y92-T112 HydrophobicContact CE1-CG2 4.04Å; Y92-T112 HydrophobicContact CE2-CG2 4.16Å; I110-T112 VanDerWaalsContact C-N 3.34Å; I110-T112 WeakPolarHBondContact CG1-O 3.31Å; I110-T112 PolarHBondContact O-N 3.4Å; T112-K114 PolarHBondContact OG1-N 2.88Å; T112-K114 PolarHBondContact OG1-O 3.29Å; T112-K114 VanDerWaalsContact OG1-O 3.05Å; T112-K117 HydrophobicContact CG2-CG 4.36Å; T112-K117 WeakPolarHBondContact CG2-O 3.49Å; T112-K117 WeakPolarHBondContact OG1-CB 3.34Å; T112-K117 PolarHBondContact OG1-O 3.01Å; T112-A119 HydrophobicContact CG2-CB 3.79Å |
| 113 | D | 96.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 29 Ų | 29 | 38% | 0.38 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -89.1 | -10.6 | 171.8 | 60.6 | -44 | 0 | 0 | 0 | 113.3 | K117 | D113-K117 WeakPolarHBondContact OD1-CD 3.22Å; D113-K117 IonicContact OD1-NZ 3.4Å; D113-K117 PolarHBondContact OD1-NZ 3.16Å; D113-K117 IonicContact OD2-NZ 3.99Å |
| 114 | K | 97 | Very high | 97.8 | Very high | 101 Ų | 101 | 22.1 Ų | 22.1 | 44% | 0.439 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -137.4 | 150.2 | -177.3 | -66.7 | -178.1 | -166.4 | 168.2 | 0 | 112.6 | D80 T112 K117 | D80-K114 IonicContact OD2-NZ 3.83Å; D80-K114 PolarHBondContact OD2-NZ 2.94Å; T112-K114 PolarHBondContact OG1-N 2.88Å; T112-K114 PolarHBondContact OG1-O 3.29Å; T112-K114 VanDerWaalsContact OG1-O 3.05Å; K114-K117 HydrophobicContact CB-CB 4.04Å; K114-K117 HydrophobicContact CB-CD 4.31Å; K114-K117 PolarHBondContact O-N 3.39Å |
| 115 | P | 97.6 | Very high | 97.8 | Very high | 17 Ų | 17 | 18.1 Ų | 18.1 | 11% | 0.11 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 140 | 176.9 | 28.7 | -37.4 | 0 | 0 | 0 | 110.6 | L68 Y96 K117 M321 | L68-P115 HydrophobicContact CD1-CB 3.87Å; L68-P115 HydrophobicContact CD1-CG 3.43Å; L68-P115 VanDerWaalsContact CD1-CG 3.43Å; Y96-P115 WeakPolarHBondContact O-CD 3.38Å; P115-K117 PolarHBondContact O-N 2.85Å; P115-M321 HydrophobicContact CB-CE 3.38Å |
| 116 | L | 97.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 2 | 177.9 | -47.8 | 179.5 | 0 | 0 | 0 | 116.3 | L65 L68 Q69 L79 R118 M321 K323 | L65-L116 HydrophobicContact CD1-CD1 4.13Å; L65-L116 HydrophobicContact CD1-CD2 4.19Å; L65-L116 HydrophobicContact CD1-CG 4.24Å; L68-L116 HydrophobicContact CB-CD1 3.98Å; Q69-L116 HydrophobicContact CG-CD1 3.98Å; L79-L116 HydrophobicContact CB-CB 4.25Å; L79-L116 HydrophobicContact CD2-CB 4.03Å; L79-L116 HydrophobicContact CD2-CD1 4.32Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-M321 HydrophobicContact CD2-CB 4.11Å; L116-M321 HydrophobicContact CD2-CG 4.24Å; L116-K323 HydrophobicContact CD2-CG 4.19Å |
| 117 | K | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 24 Ų | 24 | 8% | 0.078 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.6 | 173.9 | 175.1 | -177.5 | 175.1 | -165.8 | 0 | 110 | D80 E82 T112 D113 K114 P115 | D80-K117 HydrophobicContact CB-CB 3.91Å; D80-K117 HydrophobicContact CB-CG 3.95Å; D80-K117 WeakPolarHBondContact O-CA 3.25Å; E82-K117 WeakPolarHBondContact OE2-CE 3.39Å; E82-K117 IonicContact OE2-NZ 2.77Å; E82-K117 PolarHBondContact OE2-NZ 2.99Å; T112-K117 HydrophobicContact CG2-CG 4.36Å; T112-K117 WeakPolarHBondContact CG2-O 3.49Å; T112-K117 WeakPolarHBondContact OG1-CB 3.34Å; T112-K117 PolarHBondContact OG1-O 3.01Å; D113-K117 WeakPolarHBondContact OD1-CD 3.22Å; D113-K117 IonicContact OD1-NZ 3.4Å; D113-K117 PolarHBondContact OD1-NZ 3.16Å; D113-K117 IonicContact OD2-NZ 3.99Å; K114-K117 HydrophobicContact CB-CB 4.04Å; K114-K117 HydrophobicContact CB-CD 4.31Å; K114-K117 PolarHBondContact O-N 3.39Å; P115-K117 PolarHBondContact O-N 2.85Å |
| 118 | R | 97.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 2% | 0.023 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.2 | -175.4 | -56.8 | -172.9 | -178.6 | -134.1 | 3.6 | 110.7 | E72 G77 V78 D80 M81 E82 L116 K323 F324 A325 D337 | E72-R118 IonicContact OE1-NH2 3.06Å; G77-R118 PolarHBondContact O-NH2 3.27Å; V78-R118 HydrophobicContact CG1-CG 4.4Å; D80-R118 PolarHBondContact O-N 2.86Å; M81-R118 HydrophobicContact CG-CB 4.41Å; E82-R118 PolarHBondContact N-O 2.7Å; L116-R118 PolarHBondContact O-N 3.15Å; R118-K323 HydrophobicContact CG-CB 3.96Å; R118-F324 WeakPolarHBondContact CD-O 3.47Å; R118-F324 PolarHBondContact NH1-O 3.06Å; R118-A325 HydrophobicContact CB-CB 4.27Å; R118-D337 IonicContact CZ-OD1 3.29Å; R118-D337 IonicContact CZ-OD2 3.04Å; R118-D337 IonicContact NH1-OD1 3.57Å; R118-D337 PolarHBondContact NH1-OD1 2.83Å; R118-D337 IonicContact NH1-OD2 3.96Å; R118-D337 VanDerWaalsContact NH2-CG 3.3Å; R118-D337 IonicContact NH2-OD1 2.75Å; R118-D337 PolarHBondContact NH2-OD1 3.24Å; R118-D337 IonicContact NH2-OD2 3.18Å; R118-D337 PolarHBondContact NH2-OD2 3.34Å |
| 119 | A | 97.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 151.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T112 M121 | T112-A119 HydrophobicContact CG2-CB 3.79Å; A119-M121 HydrophobicContact CB-CE 3.96Å; A119-M121 HydrophobicContact CB-CG 4.46Å |
| 120 | F | 97.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.7 | 173.1 | -173.7 | -114.4 | 0 | 0 | 0 | 111 | E82 V85 V86 S87 P122 I126 A129 L133 Y144 | E82-F120 HydrophobicContact CB-CB 4.37Å; E82-F120 HydrophobicContact CG-CB 4.25Å; E82-F120 WeakPolarHBondContact O-CB 3.39Å; V85-F120 WeakPolarHBondContact O-CB 3.35Å; V86-F120 HydrophobicContact CG2-CD1 4.11Å; V86-F120 HydrophobicContact CG2-CE1 4.28Å; S87-F120 WeakPolarHBondContact CB-O 3.22Å; S87-F120 PolarHBondContact N-O 2.96Å; F120-P122 HydrophobicContact CD1-CG 4.01Å; F120-P122 HydrophobicContact CE1-CB 3.81Å; F120-P122 HydrophobicContact CE1-CG 3.63Å; F120-P122 HydrophobicContact CZ-CB 3.95Å; F120-P122 HydrophobicContact CZ-CG 4.28Å; F120-P122 WeakPolarHBondContact O-CD 3.18Å; F120-I126 HydrophobicContact CZ-CD1 3.8Å; F120-A129 HydrophobicContact CD2-CB 4Å; F120-A129 HydrophobicContact CE2-CB 3.46Å; F120-A129 VanDerWaalsContact CE2-CB 3.46Å; F120-A129 HydrophobicContact CZ-CB 4.11Å; F120-L133 HydrophobicContact CD2-CD1 3.8Å; F120-L133 HydrophobicContact CE2-CD1 3.72Å; F120-Y144 HydrophobicContact CD1-CD2 4.27Å; F120-Y144 AromaticContact CE1-CD2 3.81Å; F120-Y144 HydrophobicContact CE1-CD2 3.81Å; F120-Y144 AromaticContact CE1-CG 3.94Å; F120-Y144 HydrophobicContact CE1-CG 3.94Å |
| 121 | M | 97.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | trans | -125.7 | 79.3 | -174.7 | -62.2 | -165.6 | -177.9 | 0 | 0 | 112.3 | A119 I273 N277 F324 | A119-M121 HydrophobicContact CB-CE 3.96Å; A119-M121 HydrophobicContact CB-CG 4.46Å; M121-I273 VanDerWaalsContact CE-O 3.31Å; M121-I273 WeakPolarHBondContact CE-O 3.39Å; M121-N277 HydrophobicContact SD-CB 3.56Å; M121-N277 VanDerWaalsContact SD-CB 3.56Å; M121-F324 HydrophobicContact CE-CD1 4.16Å; M121-F324 HydrophobicContact CE-CE1 3.86Å; M121-F324 HydrophobicContact SD-CD1 4.25Å; M121-F324 HydrophobicContact SD-CE1 4.23Å | ||
| 122 | P | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -82.3 | -15.7 | -170.5 | 32.2 | -38 | 0 | 0 | 0 | 115.4 | V86 F120 G124 G125 I126 F148 T154 | V86-P122 HydrophobicContact CG1-CG 4.04Å; V86-P122 HydrophobicContact CG2-CG 4.11Å; F120-P122 HydrophobicContact CD1-CG 4.01Å; F120-P122 HydrophobicContact CE1-CB 3.81Å; F120-P122 HydrophobicContact CE1-CG 3.63Å; F120-P122 HydrophobicContact CZ-CB 3.95Å; F120-P122 HydrophobicContact CZ-CG 4.28Å; F120-P122 WeakPolarHBondContact O-CD 3.18Å; P122-G124 VanDerWaalsContact C-N 3.26Å; P122-G124 PolarHBondContact O-N 3.47Å; P122-G125 CarbonylContact O-C 3.19Å; P122-G125 VanDerWaalsContact O-C 3.29Å; P122-G125 WeakPolarHBondContact O-CA 3.35Å; P122-G125 PolarHBondContact O-N 2.97Å; P122-I126 HydrophobicContact CB-CD1 4.01Å; P122-I126 PolarHBondContact O-N 2.79Å; P122-F148 HydrophobicContact CB-CD1 4.16Å; P122-F148 HydrophobicContact CB-CD2 3.62Å; P122-F148 HydrophobicContact CB-CE1 4.27Å; P122-F148 HydrophobicContact CB-CE2 3.78Å; P122-F148 HydrophobicContact CB-CG 3.85Å; P122-F148 HydrophobicContact CB-CZ 4.1Å; P122-F148 HydrophobicContact CG-CD1 4.26Å; P122-F148 HydrophobicContact CG-CD2 3.62Å; P122-F148 HydrophobicContact CG-CE1 3.88Å; P122-F148 HydrophobicContact CG-CE2 3.19Å; P122-F148 HydrophobicContact CG-CG 4.16Å; P122-F148 HydrophobicContact CG-CZ 3.34Å; P122-T154 VanDerWaalsContact O-CG2 3.23Å; P122-T154 WeakPolarHBondContact O-CG2 3.31Å | ||
| 123 | Y | 97.3 | Very high | 96.8 | Very high | 84 Ų | 84 | 28.9 Ų | 28.9 | 33% | 0.329 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -34.6 | -177.7 | -69.7 | -83 | 0 | 0 | 0 | 113.2 | V86 G125 F148 H152 T154 H155 Y512 | V86-Y123 HydrophobicContact CG1-CD2 4.4Å; V86-Y123 HydrophobicContact CG1-CE2 3.66Å; Y123-G125 PolarHBondContact O-N 2.78Å; Y123-F148 AromaticContact CD1-CE1 3.76Å; Y123-F148 HydrophobicContact CD1-CE1 3.76Å; Y123-F148 HydrophobicContact CD2-CE1 4.36Å; Y123-F148 AromaticContact CE1-CE1 3.7Å; Y123-F148 HydrophobicContact CE1-CE1 3.7Å; Y123-F148 HydrophobicContact CE1-CZ 4.2Å; Y123-F148 HydrophobicContact CE2-CE1 4.32Å; Y123-F148 HydrophobicContact CE2-CZ 4.19Å; Y123-F148 HydrophobicContact CG-CE1 4.09Å; Y123-F148 AromaticContact CZ-CE1 3.99Å; Y123-H152 AromaticContact CD1-CE1 3.74Å; Y123-H152 AromaticContact CE1-CE1 3.98Å; Y123-H152 AromaticContact CE1-NE2 3.82Å; Y123-T154 WeakPolarHBondContact O-CB 3.46Å; Y123-H155 PolarHBondContact O-N 3.07Å; Y123-Y512 HydrophobicContact CG-CD2 4.32Å; Y123-Y512 HydrophobicContact CG-CE2 4.42Å |
| 124 | G | 96.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | P122 N156 | P122-G124 VanDerWaalsContact C-N 3.26Å; P122-G124 PolarHBondContact O-N 3.47Å; G124-N156 VanDerWaalsContact O-CB 3.28Å; G124-N156 WeakPolarHBondContact O-CB 3.08Å; G124-N156 PolarHBondContact O-N 3.27Å |
| 125 | G | 97 | Very high | 96.5 | Very high | 4 Ų | 4 | 34 Ų | 34 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | trans | 155.6 | 118.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P122 Y123 R127 M128 A129 | P122-G125 CarbonylContact O-C 3.19Å; P122-G125 VanDerWaalsContact O-C 3.29Å; P122-G125 WeakPolarHBondContact O-CA 3.35Å; P122-G125 PolarHBondContact O-N 2.97Å; Y123-G125 PolarHBondContact O-N 2.78Å; G125-R127 PolarHBondContact O-N 2.86Å; G125-M128 VanDerWaalsContact CA-CE 3.48Å; G125-M128 PolarHBondContact O-N 3.14Å; G125-A129 PolarHBondContact O-N 2.95Å | ||
| 126 | I | 97.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | -175.9 | -175.4 | 58.3 | 0 | 0 | 0 | 112.4 | F120 P122 M128 A129 E130 F148 N149 T154 | F120-I126 HydrophobicContact CZ-CD1 3.8Å; P122-I126 HydrophobicContact CB-CD1 4.01Å; P122-I126 PolarHBondContact O-N 2.79Å; I126-M128 VanDerWaalsContact C-N 3.26Å; I126-M128 PolarHBondContact O-N 3.42Å; I126-A129 WeakPolarHBondContact O-CB 3.36Å; I126-A129 PolarHBondContact O-N 3.44Å; I126-E130 HydrophobicContact CD1-CG 3.94Å; I126-E130 HydrophobicContact CG1-CG 4.11Å; I126-E130 WeakPolarHBondContact O-CG 3.44Å; I126-E130 PolarHBondContact O-N 2.86Å; I126-F148 HydrophobicContact CB-CB 3.65Å; I126-F148 HydrophobicContact CD1-CB 4.14Å; I126-F148 HydrophobicContact CD1-CD2 4.41Å; I126-F148 HydrophobicContact CG1-CB 3.94Å; I126-F148 HydrophobicContact CG2-CB 4.17Å; I126-N149 WeakPolarHBondContact CG2-OD1 3.39Å; I126-T154 HydrophobicContact CB-CG2 4.44Å; I126-T154 HydrophobicContact CG2-CG2 4.5Å |
| 127 | R | 95.8 | Very high | 96 | Very high | 136 Ų | 136 | 39 Ų | 39 | 51% | 0.513 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.6 | -41.1 | -179.6 | -172.8 | -177.9 | 67 | -168.4 | -5.1 | 112.7 | G125 E131 | G125-R127 PolarHBondContact O-N 2.86Å; R127-E131 VanDerWaalsContact O-CB 3.28Å; R127-E131 WeakPolarHBondContact O-CB 3.41Å; R127-E131 PolarHBondContact O-N 2.82Å |
| 128 | M | 95.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.054 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.9 | -36.8 | -180 | -71.2 | 66.6 | 60.1 | 0 | 0 | 111.5 | G125 I126 E130 E131 S132 N156 T182 I327 | G125-M128 VanDerWaalsContact CA-CE 3.48Å; G125-M128 PolarHBondContact O-N 3.14Å; I126-M128 VanDerWaalsContact C-N 3.26Å; I126-M128 PolarHBondContact O-N 3.42Å; M128-E130 VanDerWaalsContact C-N 3.33Å; M128-E131 PolarHBondContact O-N 3.18Å; M128-S132 WeakPolarHBondContact O-CB 3.43Å; M128-S132 PolarHBondContact O-N 3.04Å; M128-S132 PolarHBondContact O-OG 3.32Å; M128-N156 HydrophobicContact CE-CB 3.26Å; M128-N156 WeakPolarHBondContact CE-OD1 3.36Å; M128-T182 HydrophobicContact CG-CG2 4.37Å; M128-T182 HydrophobicContact SD-CG2 4.09Å; M128-I327 HydrophobicContact CB-CG2 3.79Å; M128-I327 HydrophobicContact CG-CD1 3.76Å; M128-I327 HydrophobicContact CG-CG2 4.08Å; M128-I327 VanDerWaalsContact O-CG2 3.31Å; M128-I327 WeakPolarHBondContact O-CG2 3.48Å |
| 129 | A | 96.4 | Very high | 95.8 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F120 G125 I126 L133 | F120-A129 HydrophobicContact CD2-CB 4Å; F120-A129 HydrophobicContact CE2-CB 3.46Å; F120-A129 VanDerWaalsContact CE2-CB 3.46Å; F120-A129 HydrophobicContact CZ-CB 4.11Å; G125-A129 PolarHBondContact O-N 2.95Å; I126-A129 WeakPolarHBondContact O-CB 3.36Å; I126-A129 PolarHBondContact O-N 3.44Å; A129-L133 WeakPolarHBondContact O-CG 3.22Å; A129-L133 PolarHBondContact O-N 3.43Å |
| 130 | E | 96.4 | Very high | 95.7 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -47.4 | 175.5 | -63.5 | 178.9 | 151.9 | 0 | 0 | 112 | I126 M128 S132 L133 E134 P140 T145 | I126-E130 HydrophobicContact CD1-CG 3.94Å; I126-E130 HydrophobicContact CG1-CG 4.11Å; I126-E130 WeakPolarHBondContact O-CG 3.44Å; I126-E130 PolarHBondContact O-N 2.86Å; M128-E130 VanDerWaalsContact C-N 3.33Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 2.89Å; E130-L133 WeakPolarHBondContact O-CB 3.28Å; E130-L133 PolarHBondContact O-N 2.86Å; E130-E134 WeakPolarHBondContact O-CG 3.49Å; E130-E134 PolarHBondContact O-N 3.39Å; E130-P140 HydrophobicContact CB-CB 4.24Å; E130-P140 HydrophobicContact CB-CG 3.88Å; E130-P140 HydrophobicContact CG-CB 3.91Å; E130-P140 HydrophobicContact CG-CG 4.12Å; E130-T145 WeakPolarHBondContact OE1-CB 3.11Å; E130-T145 VanDerWaalsContact OE1-CG2 3.27Å; E130-T145 WeakPolarHBondContact OE1-CG2 3.45Å; E130-T145 PolarHBondContact OE1-OG1 2.93Å |
| 131 | E | 96 | Very high | 95.7 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.3 | -40.7 | 177.4 | -176.8 | -177.2 | 158 | 0 | 0 | 111.6 | R127 M128 R135 I327 | R127-E131 VanDerWaalsContact O-CB 3.28Å; R127-E131 WeakPolarHBondContact O-CB 3.41Å; R127-E131 PolarHBondContact O-N 2.82Å; M128-E131 PolarHBondContact O-N 3.18Å; E131-R135 VanDerWaalsContact O-CB 3.28Å; E131-R135 WeakPolarHBondContact O-CB 3.23Å; E131-R135 PolarHBondContact O-N 2.68Å; E131-I327 HydrophobicContact CB-CG2 4.07Å; E131-I327 HydrophobicContact CG-CG2 4.16Å |
| 132 | S | 94.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.5 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | M128 E130 Y136 R326 I327 | M128-S132 WeakPolarHBondContact O-CB 3.43Å; M128-S132 PolarHBondContact O-N 3.04Å; M128-S132 PolarHBondContact O-OG 3.32Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 2.89Å; S132-Y136 VanDerWaalsContact O-CD2 3.29Å; S132-Y136 WeakPolarHBondContact O-CD2 3.3Å; S132-R326 PolarHBondContact OG-O 2.7Å; S132-I327 WeakPolarHBondContact OG-CG2 3.43Å; S132-I327 PolarHBondContact OG-N 2.75Å |
| 133 | L | 96.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -51.4 | 177.8 | -73 | 170.6 | 0 | 0 | 0 | 111.8 | M81 E82 A83 F120 A129 E130 R135 Y136 G137 Y138 | M81-L133 HydrophobicContact CB-CD2 3.9Å; M81-L133 HydrophobicContact CE-CD2 3.77Å; M81-L133 HydrophobicContact CE-CG 4.3Å; M81-L133 HydrophobicContact SD-CD2 4.21Å; E82-L133 WeakPolarHBondContact O-CD2 3.35Å; A83-L133 HydrophobicContact CB-CD1 3.95Å; A83-L133 HydrophobicContact CB-CD2 4.05Å; F120-L133 HydrophobicContact CD2-CD1 3.8Å; F120-L133 HydrophobicContact CE2-CD1 3.72Å; A129-L133 WeakPolarHBondContact O-CG 3.22Å; A129-L133 PolarHBondContact O-N 3.43Å; E130-L133 WeakPolarHBondContact O-CB 3.28Å; E130-L133 PolarHBondContact O-N 2.86Å; L133-R135 PolarHBondContact O-N 3.03Å; L133-Y136 CarbonylContact O-C 3.54Å; L133-Y136 PolarHBondContact O-N 3.01Å; L133-Y136 VanDerWaalsContact O-N 3.11Å; L133-G137 PolarHBondContact O-N 3.3Å; L133-Y138 CarbonylContact C-O 3.12Å; L133-Y138 HydrophobicContact CD2-CG 4.23Å; L133-Y138 WeakPolarHBondContact O-CB 3.29Å; L133-Y138 PolarHBondContact O-N 3.23Å |
| 134 | E | 95.7 | Very high | 95.7 | Very high | 124 Ų | 124 | 55.9 Ų | 55.9 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.7 | -37.7 | -178.1 | -69.1 | 177.7 | 162 | 0 | 0 | 111.5 | E130 Y136 G137 Y138 P140 | E130-E134 WeakPolarHBondContact O-CG 3.49Å; E130-E134 PolarHBondContact O-N 3.39Å; E134-Y136 PolarHBondContact O-N 3.18Å; E134-G137 PolarHBondContact O-N 3.49Å; E134-Y138 WeakPolarHBondContact CA-O 3.45Å; E134-P140 HydrophobicContact CG-CG 3.73Å |
| 135 | R | 91.2 | Very high | 95.6 | Very high | 156 Ų | 156 | 57.6 Ų | 57.6 | 59% | 0.589 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57 | -34.8 | 178.2 | 176.9 | 61.4 | -173 | 105.3 | -5.4 | 113.2 | E131 L133 P328 | E131-R135 VanDerWaalsContact O-CB 3.28Å; E131-R135 WeakPolarHBondContact O-CB 3.23Å; E131-R135 PolarHBondContact O-N 2.68Å; L133-R135 PolarHBondContact O-N 3.03Å; R135-P328 HydrophobicContact CG-CG 4.4Å |
| 136 | Y | 91.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 15.6 | -179.4 | -66 | -75.6 | 0 | 0 | 0 | 112.8 | V78 M81 S132 L133 E134 Y138 | V78-Y136 HydrophobicContact CB-CD1 3.81Å; V78-Y136 HydrophobicContact CB-CD2 4.46Å; V78-Y136 HydrophobicContact CB-CE1 3.78Å; V78-Y136 HydrophobicContact CB-CE2 4.46Å; V78-Y136 HydrophobicContact CB-CG 4.17Å; V78-Y136 HydrophobicContact CG1-CG 4.43Å; V78-Y136 HydrophobicContact CG2-CD1 3.81Å; V78-Y136 HydrophobicContact CG2-CD2 3.98Å; V78-Y136 HydrophobicContact CG2-CE1 3.33Å; V78-Y136 HydrophobicContact CG2-CE2 3.55Å; V78-Y136 HydrophobicContact CG2-CG 4.12Å; M81-Y136 HydrophobicContact SD-CD2 3.7Å; M81-Y136 HydrophobicContact SD-CG 4.09Å; S132-Y136 VanDerWaalsContact O-CD2 3.29Å; S132-Y136 WeakPolarHBondContact O-CD2 3.3Å; L133-Y136 CarbonylContact O-C 3.54Å; L133-Y136 PolarHBondContact O-N 3.01Å; L133-Y136 VanDerWaalsContact O-N 3.11Å; E134-Y136 PolarHBondContact O-N 3.18Å; Y136-Y138 WeakPolarHBondContact O-CD2 3.44Å; Y136-Y138 WeakPolarHBondContact O-CE2 3.3Å |
| 137 | G | 93.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 10.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L133 E134 | L133-G137 PolarHBondContact O-N 3.3Å; E134-G137 PolarHBondContact O-N 3.49Å |
| 138 | Y | 95.7 | Very high | 95.8 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -86 | 147 | 174.1 | -65.9 | -100.2 | 0 | 0 | 0 | 110.2 | D80 M81 L133 E134 Y136 | D80-Y138 WeakPolarHBondContact CA-OH 3.41Å; D80-Y138 PolarHBondContact OD1-OH 3.33Å; M81-Y138 HydrophobicContact CB-CD1 4.16Å; M81-Y138 HydrophobicContact CB-CD2 3.95Å; M81-Y138 HydrophobicContact CB-CE1 4.05Å; M81-Y138 HydrophobicContact CB-CE2 3.86Å; M81-Y138 HydrophobicContact CB-CG 4.13Å; M81-Y138 HydrophobicContact CG-CD2 4.14Å; M81-Y138 HydrophobicContact CG-CE2 3.92Å; M81-Y138 PolarHBondContact N-OH 2.73Å; M81-Y138 HydrophobicContact SD-CD2 4.06Å; M81-Y138 HydrophobicContact SD-CE2 4.3Å; L133-Y138 CarbonylContact C-O 3.12Å; L133-Y138 HydrophobicContact CD2-CG 4.23Å; L133-Y138 WeakPolarHBondContact O-CB 3.29Å; L133-Y138 PolarHBondContact O-N 3.23Å; E134-Y138 WeakPolarHBondContact CA-O 3.45Å; Y136-Y138 WeakPolarHBondContact O-CD2 3.44Å; Y136-Y138 WeakPolarHBondContact O-CE2 3.3Å |
| 139 | T | 96 | Very high | 95.7 | Very high | 119 Ų | 119 | 60.9 Ų | 60.9 | 73% | 0.73 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 122.3 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 140 | P | 95.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 137.7 | 172.6 | -29.1 | 37.4 | 0 | 0 | 0 | 112.8 | E130 E134 P142 | E130-P140 HydrophobicContact CB-CB 4.24Å; E130-P140 HydrophobicContact CB-CG 3.88Å; E130-P140 HydrophobicContact CG-CB 3.91Å; E130-P140 HydrophobicContact CG-CG 4.12Å; E134-P140 HydrophobicContact CG-CG 3.73Å; P140-P142 VanDerWaalsContact O-CD 3.27Å; P140-P142 WeakPolarHBondContact O-CD 3.3Å |
| 141 | N | 96.6 | Very high | 95.7 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | trans | -76.1 | 115.4 | 175.4 | -172.9 | -36.3 | 0 | 0 | 0 | 110.1 | A83 D84 K143 Y144 T145 | A83-N141 WeakPolarHBondContact O-CB 3.39Å; D84-N141 PolarHBondContact OD1-ND2 2.88Å; N141-K143 PolarHBondContact O-N 2.84Å; N141-K143 VanDerWaalsContact OD1-CB 3.23Å; N141-K143 WeakPolarHBondContact OD1-CB 3.48Å; N141-K143 PolarHBondContact OD1-N 2.77Å; N141-Y144 HydrophobicContact CB-CD2 3.84Å; N141-Y144 HydrophobicContact CB-CE2 4.31Å; N141-Y144 PolarHBondContact O-N 2.71Å; N141-T145 PolarHBondContact O-N 2.96Å; N141-T145 PolarHBondContact O-OG1 3.01Å | ||
| 142 | P | 96.7 | Very high | 95.8 | Very high | 97 Ų | 97 | 72 Ų | 72 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.6 | -25.2 | -174.4 | -24.3 | 34.5 | 0 | 0 | 0 | 114 | P140 Y144 T145 E146 | P140-P142 VanDerWaalsContact O-CD 3.27Å; P140-P142 WeakPolarHBondContact O-CD 3.3Å; P142-Y144 VanDerWaalsContact C-N 3.32Å; P142-Y144 PolarHBondContact O-N 2.7Å; P142-T145 WeakPolarHBondContact O-CB 3.38Å; P142-T145 PolarHBondContact O-N 3.32Å; P142-E146 PolarHBondContact O-N 3.08Å |
| 143 | K | 97.7 | Very high | 95.9 | Very high | 118 Ų | 118 | 75.5 Ų | 75.5 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 175.7 | -178.9 | -169.9 | 170.5 | -167.2 | 0 | 111.3 | N141 E146 I147 | N141-K143 PolarHBondContact O-N 2.84Å; N141-K143 VanDerWaalsContact OD1-CB 3.23Å; N141-K143 WeakPolarHBondContact OD1-CB 3.48Å; N141-K143 PolarHBondContact OD1-N 2.77Å; K143-E146 PolarHBondContact O-N 3.46Å; K143-I147 HydrophobicContact CG-CD1 4.01Å; K143-I147 VanDerWaalsContact O-CG1 3.28Å; K143-I147 WeakPolarHBondContact O-CG1 3.2Å; K143-I147 PolarHBondContact O-N 3.44Å |
| 144 | Y | 97.2 | Very high | 96 | Very high | 31 Ų | 31 | 75.6 Ų | 75.6 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -78.5 | -30.6 | 179.4 | -62.2 | -49 | 0 | 0 | 0 | 111.9 | D84 V86 F120 N141 P142 E146 I147 F148 | D84-Y144 WeakPolarHBondContact O-CE2 3.17Å; D84-Y144 PolarHBondContact O-OH 3.4Å; V86-Y144 HydrophobicContact CG2-CD1 3.61Å; V86-Y144 HydrophobicContact CG2-CD2 4.34Å; V86-Y144 HydrophobicContact CG2-CE1 3.47Å; V86-Y144 VanDerWaalsContact CG2-CE1 3.47Å; V86-Y144 HydrophobicContact CG2-CE2 4.22Å; V86-Y144 HydrophobicContact CG2-CG 4.09Å; F120-Y144 HydrophobicContact CD1-CD2 4.27Å; F120-Y144 AromaticContact CE1-CD2 3.81Å; F120-Y144 HydrophobicContact CE1-CD2 3.81Å; F120-Y144 AromaticContact CE1-CG 3.94Å; F120-Y144 HydrophobicContact CE1-CG 3.94Å; N141-Y144 HydrophobicContact CB-CD2 3.84Å; N141-Y144 HydrophobicContact CB-CE2 4.31Å; N141-Y144 PolarHBondContact O-N 2.71Å; P142-Y144 VanDerWaalsContact C-N 3.32Å; P142-Y144 PolarHBondContact O-N 2.7Å; Y144-E146 VanDerWaalsContact C-N 3.31Å; Y144-E146 PolarHBondContact O-N 3.33Å; Y144-I147 HydrophobicContact CD1-CD1 4.01Å; Y144-I147 HydrophobicContact CE1-CD1 4.35Å; Y144-I147 PolarHBondContact O-N 2.78Å; Y144-F148 HydrophobicContact CD1-CE2 4.29Å; Y144-F148 WeakPolarHBondContact O-CD2 3.41Å; Y144-F148 PolarHBondContact O-N 2.77Å |
| 145 | T | 95.3 | Very high | 96.2 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 24% | 0.239 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.5 | -49.5 | 166.6 | -46 | 0 | 0 | 0 | 0 | 110.7 | E130 N141 P142 N149 | E130-T145 WeakPolarHBondContact OE1-CB 3.11Å; E130-T145 VanDerWaalsContact OE1-CG2 3.27Å; E130-T145 WeakPolarHBondContact OE1-CG2 3.45Å; E130-T145 PolarHBondContact OE1-OG1 2.93Å; N141-T145 PolarHBondContact O-N 2.96Å; N141-T145 PolarHBondContact O-OG1 3.01Å; P142-T145 WeakPolarHBondContact O-CB 3.38Å; P142-T145 PolarHBondContact O-N 3.32Å; T145-N149 WeakPolarHBondContact CG2-ND2 3.3Å; T145-N149 WeakPolarHBondContact O-CB 3.16Å; T145-N149 PolarHBondContact O-N 3.1Å; T145-N149 VanDerWaalsContact O-N 3.09Å; T145-N149 PolarHBondContact O-ND2 3.46Å |
| 146 | E | 97.6 | Very high | 96.5 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 177 | -171.4 | -171.1 | 170.1 | 0 | 0 | 111.1 | P142 K143 Y144 F148 N149 D150 Y151 | P142-E146 PolarHBondContact O-N 3.08Å; K143-E146 PolarHBondContact O-N 3.46Å; Y144-E146 VanDerWaalsContact C-N 3.31Å; Y144-E146 PolarHBondContact O-N 3.33Å; E146-F148 PolarHBondContact O-N 3.48Å; E146-N149 PolarHBondContact O-N 2.64Å; E146-D150 VanDerWaalsContact O-CB 3.3Å; E146-D150 WeakPolarHBondContact O-CB 3.25Å; E146-D150 PolarHBondContact O-N 2.95Å; E146-Y151 HydrophobicContact CG-CE2 3.77Å; E146-Y151 WeakPolarHBondContact OE1-CE2 3.48Å; E146-Y151 PolarHBondContact OE1-OH 3.5Å |
| 147 | I | 98.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -59 | -49.3 | -177.7 | -70.1 | 164.7 | 0 | 0 | 0 | 112.2 | K143 Y144 Y151 H152 | K143-I147 HydrophobicContact CG-CD1 4.01Å; K143-I147 VanDerWaalsContact O-CG1 3.28Å; K143-I147 WeakPolarHBondContact O-CG1 3.2Å; K143-I147 PolarHBondContact O-N 3.44Å; Y144-I147 HydrophobicContact CD1-CD1 4.01Å; Y144-I147 HydrophobicContact CE1-CD1 4.35Å; Y144-I147 PolarHBondContact O-N 2.78Å; I147-Y151 HydrophobicContact CB-CD2 4.49Å; I147-Y151 HydrophobicContact CG1-CD2 4.13Å; I147-Y151 CarbonylContact O-C 3.6Å; I147-Y151 WeakPolarHBondContact O-CA 3.48Å; I147-Y151 PolarHBondContact O-N 2.94Å; I147-Y151 VanDerWaalsContact O-N 3.08Å; I147-H152 PolarHBondContact O-N 2.74Å |
| 148 | F | 97.7 | Very high | 97 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -90.3 | -1.7 | -172.3 | -68.4 | -78.6 | 0 | 0 | 0 | 114.5 | V86 P122 Y123 I126 Y144 E146 H152 T154 | V86-F148 HydrophobicContact CG1-CZ 4.29Å; V86-F148 HydrophobicContact CG2-CE2 3.94Å; V86-F148 HydrophobicContact CG2-CZ 4.33Å; P122-F148 HydrophobicContact CB-CD1 4.16Å; P122-F148 HydrophobicContact CB-CD2 3.62Å; P122-F148 HydrophobicContact CB-CE1 4.27Å; P122-F148 HydrophobicContact CB-CE2 3.78Å; P122-F148 HydrophobicContact CB-CG 3.85Å; P122-F148 HydrophobicContact CB-CZ 4.1Å; P122-F148 HydrophobicContact CG-CD1 4.26Å; P122-F148 HydrophobicContact CG-CD2 3.62Å; P122-F148 HydrophobicContact CG-CE1 3.88Å; P122-F148 HydrophobicContact CG-CE2 3.19Å; P122-F148 HydrophobicContact CG-CG 4.16Å; P122-F148 HydrophobicContact CG-CZ 3.34Å; Y123-F148 AromaticContact CD1-CE1 3.76Å; Y123-F148 HydrophobicContact CD1-CE1 3.76Å; Y123-F148 HydrophobicContact CD2-CE1 4.36Å; Y123-F148 AromaticContact CE1-CE1 3.7Å; Y123-F148 HydrophobicContact CE1-CE1 3.7Å; Y123-F148 HydrophobicContact CE1-CZ 4.2Å; Y123-F148 HydrophobicContact CE2-CE1 4.32Å; Y123-F148 HydrophobicContact CE2-CZ 4.19Å; Y123-F148 HydrophobicContact CG-CE1 4.09Å; Y123-F148 AromaticContact CZ-CE1 3.99Å; I126-F148 HydrophobicContact CB-CB 3.65Å; I126-F148 HydrophobicContact CD1-CB 4.14Å; I126-F148 HydrophobicContact CD1-CD2 4.41Å; I126-F148 HydrophobicContact CG1-CB 3.94Å; I126-F148 HydrophobicContact CG2-CB 4.17Å; Y144-F148 HydrophobicContact CD1-CE2 4.29Å; Y144-F148 WeakPolarHBondContact O-CD2 3.41Å; Y144-F148 PolarHBondContact O-N 2.77Å; E146-F148 PolarHBondContact O-N 3.48Å; F148-H152 CarbonylContact C-O 3.34Å; F148-H152 WeakPolarHBondContact CA-O 3.47Å; F148-H152 HydrophobicContact CD1-CB 4.18Å; F148-H152 HydrophobicContact CE1-CB 4.43Å; F148-H152 VanDerWaalsContact O-O 3.07Å; F148-T154 HydrophobicContact CB-CG2 3.93Å; F148-T154 HydrophobicContact CD1-CG2 4Å; F148-T154 HydrophobicContact CG-CG2 4.39Å |
| 149 | N | 93.6 | Very high | 97.2 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -99.4 | -44.5 | 165.7 | -73.3 | -51.8 | 0 | 0 | 0 | 112 | I126 T145 E146 | I126-N149 WeakPolarHBondContact CG2-OD1 3.39Å; T145-N149 WeakPolarHBondContact CG2-ND2 3.3Å; T145-N149 WeakPolarHBondContact O-CB 3.16Å; T145-N149 PolarHBondContact O-N 3.1Å; T145-N149 VanDerWaalsContact O-N 3.09Å; T145-N149 PolarHBondContact O-ND2 3.46Å; E146-N149 PolarHBondContact O-N 2.64Å |
| 150 | D | 95.8 | Very high | 97.3 | Very high | 119 Ų | 119 | 52.8 Ų | 52.8 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | I | π-helix | trans | -101.7 | -32.6 | -166.5 | -59.1 | -23.2 | 0 | 0 | 0 | 113.4 | E146 | E146-D150 VanDerWaalsContact O-CB 3.3Å; E146-D150 WeakPolarHBondContact O-CB 3.25Å; E146-D150 PolarHBondContact O-N 2.95Å |
| 151 | Y | 97.4 | Very high | 97.4 | Very high | 163 Ų | 163 | 56.2 Ų | 56.2 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | I | π-helix | trans | -108.8 | -36.3 | -173 | -54 | -46.2 | 0 | 0 | 0 | 114 | E146 I147 | E146-Y151 HydrophobicContact CG-CE2 3.77Å; E146-Y151 WeakPolarHBondContact OE1-CE2 3.48Å; E146-Y151 PolarHBondContact OE1-OH 3.5Å; I147-Y151 HydrophobicContact CB-CD2 4.49Å; I147-Y151 HydrophobicContact CG1-CD2 4.13Å; I147-Y151 CarbonylContact O-C 3.6Å; I147-Y151 WeakPolarHBondContact O-CA 3.48Å; I147-Y151 PolarHBondContact O-N 2.94Å; I147-Y151 VanDerWaalsContact O-N 3.08Å |
| 152 | H | 97.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -127.8 | 106 | -178 | -169 | -63.6 | 0 | 0 | 0 | 110.6 | Y123 I147 F148 T154 | Y123-H152 AromaticContact CD1-CE1 3.74Å; Y123-H152 AromaticContact CE1-CE1 3.98Å; Y123-H152 AromaticContact CE1-NE2 3.82Å; I147-H152 PolarHBondContact O-N 2.74Å; F148-H152 CarbonylContact C-O 3.34Å; F148-H152 WeakPolarHBondContact CA-O 3.47Å; F148-H152 HydrophobicContact CD1-CB 4.18Å; F148-H152 HydrophobicContact CE1-CB 4.43Å; F148-H152 VanDerWaalsContact O-O 3.07Å; H152-T154 PolarHBondContact O-N 3.34Å |
| 153 | K | 97.9 | Very high | 97.6 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | trans | -63.3 | 135.4 | 174.9 | -163.8 | 176.5 | -164.2 | 180 | 0 | 110.6 | Q157 A158 D161 Y511 | K153-Q157 HydrophobicContact CG-CB 4.3Å; K153-Q157 HydrophobicContact CG-CG 4.41Å; K153-A158 HydrophobicContact CD-CB 4.04Å; K153-A158 HydrophobicContact CG-CB 4.33Å; K153-D161 WeakPolarHBondContact CE-OD2 3.47Å; K153-D161 IonicContact NZ-OD2 3.43Å; K153-D161 PolarHBondContact NZ-OD2 3.48Å; K153-Y511 HydrophobicContact CB-CD1 4.16Å; K153-Y511 HydrophobicContact CB-CE1 3.8Å; K153-Y511 HydrophobicContact CD-CE1 4.21Å; K153-Y511 HydrophobicContact CG-CE1 4.32Å; K153-Y511 VanDerWaalsContact O-CD1 3.29Å; K153-Y511 WeakPolarHBondContact O-CD1 3.32Å | ||
| 154 | T | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | trans | -92.4 | 160.3 | 179 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | P122 Y123 I126 F148 H152 N156 Q157 A158 | P122-T154 VanDerWaalsContact O-CG2 3.23Å; P122-T154 WeakPolarHBondContact O-CG2 3.31Å; Y123-T154 WeakPolarHBondContact O-CB 3.46Å; I126-T154 HydrophobicContact CB-CG2 4.44Å; I126-T154 HydrophobicContact CG2-CG2 4.5Å; F148-T154 HydrophobicContact CB-CG2 3.93Å; F148-T154 HydrophobicContact CD1-CG2 4Å; F148-T154 HydrophobicContact CG-CG2 4.39Å; H152-T154 PolarHBondContact O-N 3.34Å; T154-N156 VanDerWaalsContact C-N 3.33Å; T154-N156 PolarHBondContact O-N 2.88Å; T154-Q157 PolarHBondContact O-N 3.43Å; T154-Q157 PolarHBondContact OG1-N 3.35Å; T154-A158 WeakPolarHBondContact O-CB 3.21Å; T154-A158 PolarHBondContact O-N 3.05Å | ||
| 155 | H | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -50.4 | -52.5 | 173.6 | 167.2 | 56.4 | 0 | 0 | 0 | 111.4 | Y123 Q157 A158 V159 P180 I504 H508 | Y123-H155 PolarHBondContact O-N 3.07Å; H155-Q157 PolarHBondContact O-N 2.91Å; H155-A158 PolarHBondContact O-N 3.47Å; H155-V159 WeakPolarHBondContact CE1-CG2 3.45Å; H155-V159 WeakPolarHBondContact O-CG2 3.49Å; H155-V159 PolarHBondContact O-N 3.14Å; H155-P180 PolarHBondContact NE2-O 3.28Å; H155-I504 PolarHBondContact CE1-O 3.22Å; H155-H508 AromaticContact CD2-CD2 3.79Å; H155-H508 AromaticContact CE1-CD2 3.8Å; H155-H508 WeakPolarHBondContact ND1-CA 3.4Å; H155-H508 PolarHBondContact ND1-N 3.3Å; H155-H508 AromaticContact NE2-CD2 3.62Å |
| 156 | N | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.8 | -53.3 | 178.5 | 174.9 | -106.1 | 0 | 0 | 0 | 113.2 | G124 M128 T154 A158 V159 F160 D181 | G124-N156 VanDerWaalsContact O-CB 3.28Å; G124-N156 WeakPolarHBondContact O-CB 3.08Å; G124-N156 PolarHBondContact O-N 3.27Å; M128-N156 HydrophobicContact CE-CB 3.26Å; M128-N156 WeakPolarHBondContact CE-OD1 3.36Å; T154-N156 VanDerWaalsContact C-N 3.33Å; T154-N156 PolarHBondContact O-N 2.88Å; N156-A158 PolarHBondContact O-N 3.48Å; N156-V159 PolarHBondContact O-N 2.77Å; N156-F160 WeakPolarHBondContact ND2-CD2 3.45Å; N156-F160 WeakPolarHBondContact ND2-CE2 3.45Å; N156-F160 WeakPolarHBondContact O-CD2 3.46Å; N156-F160 PolarHBondContact O-N 3.33Å; N156-D181 PolarHBondContact ND2-O 2.76Å |
| 157 | Q | 98.1 | Very high | 97.7 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | -178.4 | -173.8 | 60.4 | 55 | 0 | 0 | 110.7 | K153 T154 H155 F160 D161 | K153-Q157 HydrophobicContact CG-CB 4.3Å; K153-Q157 HydrophobicContact CG-CG 4.41Å; T154-Q157 PolarHBondContact O-N 3.43Å; T154-Q157 PolarHBondContact OG1-N 3.35Å; H155-Q157 PolarHBondContact O-N 2.91Å; Q157-F160 PolarHBondContact O-N 3.18Å; Q157-D161 PolarHBondContact NE2-OD1 3.16Å; Q157-D161 WeakPolarHBondContact O-CB 3.45Å; Q157-D161 PolarHBondContact O-N 2.97Å |
| 158 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66 | -40.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K153 T154 H155 N156 D161 M507 Y511 | K153-A158 HydrophobicContact CD-CB 4.04Å; K153-A158 HydrophobicContact CG-CB 4.33Å; T154-A158 WeakPolarHBondContact O-CB 3.21Å; T154-A158 PolarHBondContact O-N 3.05Å; H155-A158 PolarHBondContact O-N 3.47Å; N156-A158 PolarHBondContact O-N 3.48Å; A158-D161 PolarHBondContact O-N 3.23Å; A158-M507 HydrophobicContact CB-CB 4.08Å; A158-M507 HydrophobicContact CB-CG 3.96Å; A158-M507 HydrophobicContact CB-SD 3.69Å; A158-Y511 HydrophobicContact CB-CD2 3.36Å; A158-Y511 HydrophobicContact CB-CE2 3.18Å; A158-Y511 HydrophobicContact CB-CG 4.32Å |
| 159 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | H155 N156 D161 V162 Y163 D181 I504 M507 | H155-V159 WeakPolarHBondContact CE1-CG2 3.45Å; H155-V159 WeakPolarHBondContact O-CG2 3.49Å; H155-V159 PolarHBondContact O-N 3.14Å; N156-V159 PolarHBondContact O-N 2.77Å; V159-D161 VanDerWaalsContact C-N 3.27Å; V159-D161 PolarHBondContact O-N 3.07Å; V159-V162 VanDerWaalsContact O-CG2 3.25Å; V159-V162 WeakPolarHBondContact O-CG2 3.32Å; V159-V162 PolarHBondContact O-N 3.46Å; V159-V162 VanDerWaalsContact O-N 3.15Å; V159-Y163 HydrophobicContact CG1-CD1 3.8Å; V159-Y163 HydrophobicContact CG1-CD2 4.39Å; V159-Y163 HydrophobicContact CG1-CE1 3.25Å; V159-Y163 HydrophobicContact CG1-CE2 3.88Å; V159-Y163 HydrophobicContact CG1-CG 4.36Å; V159-Y163 WeakPolarHBondContact O-CD1 3.49Å; V159-Y163 PolarHBondContact O-N 2.86Å; V159-Y163 VanDerWaalsContact O-N 3.11Å; V159-D181 HydrophobicContact CG1-CB 3.85Å; V159-I504 HydrophobicContact CG1-CG1 3.96Å; V159-I504 HydrophobicContact CG2-CG1 4.34Å; V159-M507 HydrophobicContact CG2-CB 3.65Å; V159-M507 HydrophobicContact CG2-CG 4.04Å |
| 160 | F | 98 | Very high | 98 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -29.7 | -177.5 | -83.5 | -92.5 | 0 | 0 | 0 | 112.3 | N156 Q157 V162 Y163 R168 D181 | N156-F160 WeakPolarHBondContact ND2-CD2 3.45Å; N156-F160 WeakPolarHBondContact ND2-CE2 3.45Å; N156-F160 WeakPolarHBondContact O-CD2 3.46Å; N156-F160 PolarHBondContact O-N 3.33Å; Q157-F160 PolarHBondContact O-N 3.18Å; F160-V162 PolarHBondContact O-N 3.16Å; F160-Y163 HydrophobicContact CD1-CD2 4.28Å; F160-Y163 HydrophobicContact CE1-CD2 4.34Å; F160-Y163 PolarHBondContact O-N 3.2Å; F160-R168 PolarHBondContact O-NH2 3.4Å; F160-D181 HydrophobicContact CE2-CB 4.1Å |
| 161 | D | 98.2 | Very high | 98 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 48% | 0.476 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.8 | -23.3 | 175.9 | -75.4 | -3.7 | 0 | 0 | 0 | 114 | K153 Q157 A158 V159 | K153-D161 WeakPolarHBondContact CE-OD2 3.47Å; K153-D161 IonicContact NZ-OD2 3.43Å; K153-D161 PolarHBondContact NZ-OD2 3.48Å; Q157-D161 PolarHBondContact NE2-OD1 3.16Å; Q157-D161 WeakPolarHBondContact O-CB 3.45Å; Q157-D161 PolarHBondContact O-N 2.97Å; A158-D161 PolarHBondContact O-N 3.23Å; V159-D161 VanDerWaalsContact C-N 3.27Å; V159-D161 PolarHBondContact O-N 3.07Å |
| 162 | V | 98.5 | Very high | 98 | Very high | 71 Ų | 71 | 53 Ų | 53 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -105.7 | -9.8 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 113.9 | V159 F160 T164 A503 M507 | V159-V162 VanDerWaalsContact O-CG2 3.25Å; V159-V162 WeakPolarHBondContact O-CG2 3.32Å; V159-V162 PolarHBondContact O-N 3.46Å; V159-V162 VanDerWaalsContact O-N 3.15Å; F160-V162 PolarHBondContact O-N 3.16Å; V162-T164 PolarHBondContact O-N 3.26Å; V162-A503 HydrophobicContact CG2-CB 3.92Å; V162-M507 HydrophobicContact CB-CE 4.12Å; V162-M507 HydrophobicContact CG1-CE 3.36Å; V162-M507 HydrophobicContact CG2-CE 3.64Å |
| 163 | Y | 98.3 | Very high | 98 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | trans | -63.3 | 126.2 | 175.2 | -87.7 | 9.9 | 0 | 0 | 0 | 112.3 | V159 F160 I167 R168 D181 T500 A503 I504 | V159-Y163 HydrophobicContact CG1-CD1 3.8Å; V159-Y163 HydrophobicContact CG1-CD2 4.39Å; V159-Y163 HydrophobicContact CG1-CE1 3.25Å; V159-Y163 HydrophobicContact CG1-CE2 3.88Å; V159-Y163 HydrophobicContact CG1-CG 4.36Å; V159-Y163 WeakPolarHBondContact O-CD1 3.49Å; V159-Y163 PolarHBondContact O-N 2.86Å; V159-Y163 VanDerWaalsContact O-N 3.11Å; F160-Y163 HydrophobicContact CD1-CD2 4.28Å; F160-Y163 HydrophobicContact CE1-CD2 4.34Å; F160-Y163 PolarHBondContact O-N 3.2Å; Y163-I167 HydrophobicContact CD1-CD1 4.32Å; Y163-I167 HydrophobicContact CD1-CG2 3.87Å; Y163-I167 HydrophobicContact CD2-CG2 3.66Å; Y163-I167 HydrophobicContact CE1-CG2 3.95Å; Y163-I167 HydrophobicContact CE2-CG2 3.78Å; Y163-I167 HydrophobicContact CG-CB 4.44Å; Y163-I167 HydrophobicContact CG-CG2 3.7Å; Y163-R168 HydrophobicContact CD2-CG 4.45Å; Y163-R168 PolarHBondContact O-NE 2.96Å; Y163-D181 PolarHBondContact OH-OD2 3.22Å; Y163-T500 HydrophobicContact CE1-CG2 3.86Å; Y163-T500 VanDerWaalsContact OH-CG2 3.3Å; Y163-T500 WeakPolarHBondContact OH-CG2 3.28Å; Y163-A503 HydrophobicContact CD1-CB 4.43Å; Y163-A503 HydrophobicContact CE1-CB 4.24Å; Y163-I504 HydrophobicContact CE1-CG1 4.35Å; Y163-I504 VanDerWaalsContact OH-CD1 3.24Å; Y163-I504 WeakPolarHBondContact OH-CD1 3.3Å; Y163-I504 WeakPolarHBondContact OH-CG1 3.4Å | ||
| 164 | T | 98.2 | Very high | 98 | Very high | 57 Ų | 57 | 50 Ų | 50 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | trans | -72.6 | 161.5 | 174.6 | 79.4 | 0 | 0 | 0 | 0 | 111.4 | V162 E166 I167 R168 | V162-T164 PolarHBondContact O-N 3.26Å; T164-E166 WeakPolarHBondContact CB-OE2 3.43Å; T164-E166 PolarHBondContact O-N 3.49Å; T164-E166 PolarHBondContact OG1-N 2.94Å; T164-E166 PolarHBondContact OG1-OE2 3.48Å; T164-I167 HydrophobicContact CG2-CD1 4.38Å; T164-I167 PolarHBondContact O-N 3.37Å; T164-I167 PolarHBondContact OG1-N 2.77Å; T164-R168 WeakPolarHBondContact O-CG 3.23Å; T164-R168 PolarHBondContact O-N 2.77Å; T164-R168 VanDerWaalsContact O-N 3.11Å | ||
| 165 | P | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 49.8 Ų | 49.8 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -54.1 | -36.6 | 172.2 | -26.8 | 36.8 | 0 | 0 | 0 | 113.4 | R168 A169 | P165-R168 PolarHBondContact O-N 3.25Å; P165-A169 WeakPolarHBondContact O-CB 3.35Å; P165-A169 PolarHBondContact O-N 3.13Å |
| 166 | E | 97.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 50 Ų | 50 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.4 | -45.9 | -179.9 | -56.1 | 73.6 | -158.4 | 0 | 0 | 111.4 | T164 R168 A169 A170 M496 | T164-E166 WeakPolarHBondContact CB-OE2 3.43Å; T164-E166 PolarHBondContact O-N 3.49Å; T164-E166 PolarHBondContact OG1-N 2.94Å; T164-E166 PolarHBondContact OG1-OE2 3.48Å; E166-R168 VanDerWaalsContact C-N 3.27Å; E166-R168 PolarHBondContact O-N 3.47Å; E166-A169 WeakPolarHBondContact O-CB 3.3Å; E166-A169 PolarHBondContact O-N 3.19Å; E166-A169 VanDerWaalsContact O-N 3.13Å; E166-A170 WeakPolarHBondContact O-CB 3.32Å; E166-A170 PolarHBondContact O-N 2.76Å; E166-M496 HydrophobicContact CB-CE 3.84Å |
| 167 | I | 98.2 | Very high | 97.7 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 174.4 | -67.8 | 175 | 0 | 0 | 0 | 110.1 | Y163 T164 A169 A170 R171 M496 T500 | Y163-I167 HydrophobicContact CD1-CD1 4.32Å; Y163-I167 HydrophobicContact CD1-CG2 3.87Å; Y163-I167 HydrophobicContact CD2-CG2 3.66Å; Y163-I167 HydrophobicContact CE1-CG2 3.95Å; Y163-I167 HydrophobicContact CE2-CG2 3.78Å; Y163-I167 HydrophobicContact CG-CB 4.44Å; Y163-I167 HydrophobicContact CG-CG2 3.7Å; T164-I167 HydrophobicContact CG2-CD1 4.38Å; T164-I167 PolarHBondContact O-N 3.37Å; T164-I167 PolarHBondContact OG1-N 2.77Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 3.38Å; I167-A170 PolarHBondContact O-N 3.02Å; I167-R171 WeakPolarHBondContact O-CB 3.35Å; I167-R171 PolarHBondContact O-N 3.35Å; I167-M496 HydrophobicContact CB-SD 4.48Å; I167-M496 HydrophobicContact CG1-SD 3.76Å; I167-T500 WeakPolarHBondContact CG1-OG1 3.36Å; I167-T500 HydrophobicContact CG2-CG2 3.71Å |
| 168 | R | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 46.1 Ų | 46.1 | 38% | 0.377 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65 | -36.1 | 178.3 | -68.7 | 167.7 | 175.7 | -95.3 | 8.2 | 112 | F160 Y163 T164 P165 E166 R172 | F160-R168 PolarHBondContact O-NH2 3.4Å; Y163-R168 HydrophobicContact CD2-CG 4.45Å; Y163-R168 PolarHBondContact O-NE 2.96Å; T164-R168 WeakPolarHBondContact O-CG 3.23Å; T164-R168 PolarHBondContact O-N 2.77Å; T164-R168 VanDerWaalsContact O-N 3.11Å; P165-R168 PolarHBondContact O-N 3.25Å; E166-R168 VanDerWaalsContact C-N 3.27Å; E166-R168 PolarHBondContact O-N 3.47Å; R168-R172 WeakPolarHBondContact O-CB 3.36Å; R168-R172 PolarHBondContact O-N 3.25Å |
| 169 | A | 97.8 | Very high | 97.5 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 28% | 0.281 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.5 | -48.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | P165 E166 I167 R171 R172 A173 V464 | P165-A169 WeakPolarHBondContact O-CB 3.35Å; P165-A169 PolarHBondContact O-N 3.13Å; E166-A169 WeakPolarHBondContact O-CB 3.3Å; E166-A169 PolarHBondContact O-N 3.19Å; E166-A169 VanDerWaalsContact O-N 3.13Å; I167-A169 VanDerWaalsContact C-N 3.32Å; I167-A169 PolarHBondContact O-N 3.38Å; A169-R171 VanDerWaalsContact C-N 3.32Å; A169-R171 PolarHBondContact O-N 3.13Å; A169-R172 WeakPolarHBondContact O-CB 3.38Å; A169-R172 PolarHBondContact O-N 3.06Å; A169-R172 VanDerWaalsContact O-N 3.09Å; A169-A173 WeakPolarHBondContact O-CB 3.22Å; A169-A173 PolarHBondContact O-N 3.04Å; A169-V464 HydrophobicContact CB-CG1 4.48Å |
| 170 | A | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E166 I167 A173 K174 I175 I176 M496 | E166-A170 WeakPolarHBondContact O-CB 3.32Å; E166-A170 PolarHBondContact O-N 2.76Å; I167-A170 PolarHBondContact O-N 3.02Å; A170-A173 PolarHBondContact O-N 2.91Å; A170-K174 PolarHBondContact O-N 2.95Å; A170-K174 VanDerWaalsContact O-N 3.15Å; A170-I175 HydrophobicContact CB-CG2 3.7Å; A170-I175 PolarHBondContact O-N 3.38Å; A170-I176 HydrophobicContact CB-CD1 3.96Å; A170-I176 HydrophobicContact CB-CG1 3.61Å; A170-M496 HydrophobicContact CB-CG 4.09Å; A170-M496 HydrophobicContact CB-SD 4.33Å |
| 171 | R | 97.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 173.1 | -172.1 | -176 | -173.3 | -79.3 | 2.9 | 112.8 | I167 A169 K174 I176 D181 | I167-R171 WeakPolarHBondContact O-CB 3.35Å; I167-R171 PolarHBondContact O-N 3.35Å; A169-R171 VanDerWaalsContact C-N 3.32Å; A169-R171 PolarHBondContact O-N 3.13Å; R171-K174 PolarHBondContact O-N 2.88Å; R171-I176 VanDerWaalsContact CA-O 3.25Å; R171-I176 WeakPolarHBondContact CA-O 3.27Å; R171-D181 IonicContact CZ-OD1 2.66Å; R171-D181 IonicContact CZ-OD2 2.82Å; R171-D181 IonicContact NE-OD1 3Å; R171-D181 IonicContact NE-OD2 2.77Å; R171-D181 PolarHBondContact NE-OD2 3.26Å; R171-D181 IonicContact NH2-OD1 2.71Å; R171-D181 PolarHBondContact NH2-OD1 3.2Å; R171-D181 VanDerWaalsContact NH2-OD1 3.09Å; R171-D181 IonicContact NH2-OD2 2.8Å |
| 172 | R | 96.9 | Very high | 97.2 | Very high | 207 Ų | 207 | 41.8 Ų | 41.8 | 78% | 0.781 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -67.6 | -40.3 | 179.7 | -170.1 | -175.7 | -54.3 | -94.5 | -1.4 | 111.9 | R168 A169 K174 | R168-R172 WeakPolarHBondContact O-CB 3.36Å; R168-R172 PolarHBondContact O-N 3.25Å; A169-R172 WeakPolarHBondContact O-CB 3.38Å; A169-R172 PolarHBondContact O-N 3.06Å; A169-R172 VanDerWaalsContact O-N 3.09Å; R172-K174 PolarHBondContact O-N 2.76Å |
| 173 | A | 97.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -5.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A169 A170 I175 K446 Y450 V464 | A169-A173 WeakPolarHBondContact O-CB 3.22Å; A169-A173 PolarHBondContact O-N 3.04Å; A170-A173 PolarHBondContact O-N 2.91Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 PolarHBondContact O-N 3.05Å; A173-K446 WeakPolarHBondContact O-CD 3.41Å; A173-K446 VanDerWaalsContact O-CE 3.26Å; A173-K446 WeakPolarHBondContact O-CE 3.36Å; A173-Y450 WeakPolarHBondContact CB-OH 3.27Å; A173-V464 HydrophobicContact CB-CB 4.37Å; A173-V464 HydrophobicContact CB-CG1 3.85Å; A173-V464 HydrophobicContact CB-CG2 3.81Å |
| 174 | K | 97.4 | Very high | 97 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 29% | 0.287 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 40.4 | 179.2 | -48.7 | -70.5 | 177.5 | 175 | 0 | 111.7 | A170 R171 R172 T177 N443 Y619 A622 | A170-K174 PolarHBondContact O-N 2.95Å; A170-K174 VanDerWaalsContact O-N 3.15Å; R171-K174 PolarHBondContact O-N 2.88Å; R172-K174 PolarHBondContact O-N 2.76Å; K174-T177 HydrophobicContact CB-CG2 4.13Å; K174-T177 HydrophobicContact CD-CG2 3.47Å; K174-T177 VanDerWaalsContact CD-CG2 3.47Å; K174-T177 WeakPolarHBondContact CD-OG1 3.46Å; K174-T177 HydrophobicContact CG-CG2 4.43Å; K174-T177 PolarHBondContact NZ-OG1 2.76Å; K174-T177 VanDerWaalsContact NZ-OG1 3.11Å; K174-N443 PolarHBondContact O-ND2 3.19Å; K174-N443 VanDerWaalsContact O-ND2 3.1Å; K174-Y619 HydrophobicContact CB-CD1 4.02Å; K174-Y619 HydrophobicContact CB-CE1 4.14Å; K174-Y619 WeakPolarHBondContact O-CD1 3.21Å; K174-Y619 WeakPolarHBondContact O-CE1 3.33Å; K174-A622 HydrophobicContact CB-CB 3.47Å; K174-A622 VanDerWaalsContact CB-CB 3.47Å; K174-A622 HydrophobicContact CG-CB 3.65Å |
| 175 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -90.7 | -31.9 | 164.7 | -162.5 | 161.8 | 0 | 0 | 0 | 111.3 | A170 A173 N443 K446 A447 Y450 W492 L493 | A170-I175 HydrophobicContact CB-CG2 3.7Å; A170-I175 PolarHBondContact O-N 3.38Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 PolarHBondContact O-N 3.05Å; I175-N443 PolarHBondContact O-N 2.71Å; I175-K446 HydrophobicContact CB-CD 4.05Å; I175-K446 HydrophobicContact CD1-CG 4.29Å; I175-K446 HydrophobicContact CG1-CD 4.46Å; I175-K446 HydrophobicContact CG1-CG 4.4Å; I175-A447 HydrophobicContact CD1-CB 4.31Å; I175-Y450 HydrophobicContact CD1-CD2 3.58Å; I175-Y450 HydrophobicContact CD1-CE2 3.52Å; I175-Y450 HydrophobicContact CD1-CG 4.15Å; I175-W492 HydrophobicContact CD1-CH2 4.08Å; I175-W492 HydrophobicContact CD1-CZ3 3.67Å; I175-W492 HydrophobicContact CG2-CH2 4.19Å; I175-L493 HydrophobicContact CD1-CD1 4.47Å; I175-L493 HydrophobicContact CG1-CD1 3.98Å |
| 176 | I | 96.8 | Very high | 97 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -136.8 | 98.2 | 164.8 | 44.8 | 153.4 | 0 | 0 | 0 | 109.8 | A170 R171 L179 A442 L493 M496 Y497 T500 | A170-I176 HydrophobicContact CB-CD1 3.96Å; A170-I176 HydrophobicContact CB-CG1 3.61Å; R171-I176 VanDerWaalsContact CA-O 3.25Å; R171-I176 WeakPolarHBondContact CA-O 3.27Å; I176-L179 HydrophobicContact CB-CD1 4.31Å; I176-A442 HydrophobicContact CG2-CB 3.82Å; I176-L493 HydrophobicContact CG2-CD1 3.81Å; I176-M496 HydrophobicContact CD1-CG 3.66Å; I176-M496 HydrophobicContact CD1-SD 4.38Å; I176-M496 HydrophobicContact CG1-CG 4.33Å; I176-Y497 HydrophobicContact CG2-CD2 4.14Å; I176-Y497 HydrophobicContact CG2-CG 4.12Å; I176-T500 HydrophobicContact CD1-CG2 4.35Å; I176-T500 WeakPolarHBondContact CD1-OG1 3.32Å |
| 177 | T | 94.9 | Very high | 97 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | trans | -134.1 | 160.3 | -178.3 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | K174 L179 Y619 | K174-T177 HydrophobicContact CB-CG2 4.13Å; K174-T177 HydrophobicContact CD-CG2 3.47Å; K174-T177 VanDerWaalsContact CD-CG2 3.47Å; K174-T177 WeakPolarHBondContact CD-OG1 3.46Å; K174-T177 HydrophobicContact CG-CG2 4.43Å; K174-T177 PolarHBondContact NZ-OG1 2.76Å; K174-T177 VanDerWaalsContact NZ-OG1 3.11Å; T177-L179 PolarHBondContact O-N 3.29Å; T177-Y619 HydrophobicContact CG2-CD1 3.92Å; T177-Y619 HydrophobicContact CG2-CE1 3.18Å; T177-Y619 PolarHBondContact N-OH 3.19Å; T177-Y619 PolarHBondContact O-OH 2.87Å | ||
| 178 | G | 94.4 | Very high | 97 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 70.4 | 27.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y183 A440 | G178-Y183 PolarHBondContact O-OH 2.82Å; G178-A440 WeakPolarHBondContact O-CB 3.47Å |
| 179 | L | 97.2 | Very high | 97 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | -71.8 | 162.4 | 168 | -83.2 | 62.1 | 0 | 0 | 0 | 109.2 | I176 T177 D181 Y183 G439 Y497 T500 L501 I504 | I176-L179 HydrophobicContact CB-CD1 4.31Å; T177-L179 PolarHBondContact O-N 3.29Å; L179-D181 PolarHBondContact O-N 3.01Å; L179-Y183 WeakPolarHBondContact O-CE1 3.34Å; L179-G439 WeakPolarHBondContact CG-O 3.23Å; L179-Y497 HydrophobicContact CD1-CE2 4.18Å; L179-Y497 HydrophobicContact CD2-CD2 4.19Å; L179-Y497 HydrophobicContact CD2-CE2 4.07Å; L179-Y497 HydrophobicContact CG-CE2 4.17Å; L179-T500 HydrophobicContact CD2-CG2 3.49Å; L179-T500 VanDerWaalsContact CD2-CG2 3.49Å; L179-L501 HydrophobicContact CD2-CD2 3.65Å; L179-L501 HydrophobicContact CD2-CG 4.27Å; L179-L501 HydrophobicContact CG-CD2 3.92Å; L179-I504 HydrophobicContact CB-CD1 3.61Å; L179-I504 HydrophobicContact CD2-CD1 3.98Å; L179-I504 HydrophobicContact CG-CD1 4.33Å | ||
| 180 | P | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 53.5 | -177.5 | 25.3 | -24.9 | 0 | 0 | 0 | 113.3 | H155 Y183 R185 F438 I504 | H155-P180 PolarHBondContact NE2-O 3.28Å; P180-Y183 HydrophobicContact CB-CD2 4.24Å; P180-Y183 HydrophobicContact CB-CE2 3.67Å; P180-R185 HydrophobicContact CB-CB 4.04Å; P180-R185 HydrophobicContact CG-CB 4.21Å; P180-F438 HydrophobicContact CB-CD1 4.34Å; P180-F438 HydrophobicContact CG-CB 4.49Å; P180-F438 HydrophobicContact CG-CD1 4.04Å; P180-F438 WeakPolarHBondContact CG-O 3.42Å; P180-I504 HydrophobicContact CB-CG2 4.45Å; P180-I504 HydrophobicContact CG-CG2 3.99Å; P180-I504 VanDerWaalsContact O-CG2 3.3Å; P180-I504 WeakPolarHBondContact O-CG2 3.43Å |
| 181 | D | 97 | Very high | 97 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -15.2 | 175 | 64.2 | 19.8 | 0 | 0 | 0 | 113 | N156 V159 F160 Y163 R171 L179 I504 | N156-D181 PolarHBondContact ND2-O 2.76Å; V159-D181 HydrophobicContact CG1-CB 3.85Å; F160-D181 HydrophobicContact CE2-CB 4.1Å; Y163-D181 PolarHBondContact OH-OD2 3.22Å; R171-D181 IonicContact CZ-OD1 2.66Å; R171-D181 IonicContact CZ-OD2 2.82Å; R171-D181 IonicContact NE-OD1 3Å; R171-D181 IonicContact NE-OD2 2.77Å; R171-D181 PolarHBondContact NE-OD2 3.26Å; R171-D181 IonicContact NH2-OD1 2.71Å; R171-D181 PolarHBondContact NH2-OD1 3.2Å; R171-D181 VanDerWaalsContact NH2-OD1 3.09Å; R171-D181 IonicContact NH2-OD2 2.8Å; L179-D181 PolarHBondContact O-N 3.01Å; D181-I504 HydrophobicContact CB-CD1 4.16Å; D181-I504 HydrophobicContact CB-CG1 4.41Å |
| 182 | T | 94.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 16.4 Ų | 16.4 | 12% | 0.117 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -124.3 | 7 | 179.8 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | M128 | M128-T182 HydrophobicContact CG-CG2 4.37Å; M128-T182 HydrophobicContact SD-CG2 4.09Å |
| 183 | Y | 95.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 6.6 Ų | 6.6 | 3% | 0.031 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -154.1 | 164.9 | -179.7 | 55.4 | -90.6 | 0 | 0 | 0 | 109.6 | G178 L179 P180 A279 Y330 F334 F438 | G178-Y183 PolarHBondContact O-OH 2.82Å; L179-Y183 WeakPolarHBondContact O-CE1 3.34Å; P180-Y183 HydrophobicContact CB-CD2 4.24Å; P180-Y183 HydrophobicContact CB-CE2 3.67Å; Y183-A279 HydrophobicContact CD2-CB 4.02Å; Y183-A279 HydrophobicContact CE2-CB 3.76Å; Y183-Y330 AromaticContact CD1-CD2 3.63Å; Y183-Y330 HydrophobicContact CD1-CD2 3.63Å; Y183-Y330 AromaticContact CD1-CE2 3.95Å; Y183-Y330 HydrophobicContact CD1-CE2 3.95Å; Y183-Y330 HydrophobicContact CD2-CD2 4.36Å; Y183-Y330 AromaticContact CD2-CE2 3.84Å; Y183-Y330 HydrophobicContact CD2-CE2 3.84Å; Y183-Y330 HydrophobicContact CE1-CD2 4.18Å; Y183-Y330 HydrophobicContact CE1-CE2 4.37Å; Y183-Y330 HydrophobicContact CE2-CE2 4.31Å; Y183-Y330 AromaticContact CG-CD2 3.75Å; Y183-Y330 HydrophobicContact CG-CD2 3.75Å; Y183-Y330 AromaticContact CG-CE2 3.68Å; Y183-Y330 HydrophobicContact CG-CE2 3.68Å; Y183-F334 AromaticContact CE1-CE2 3.99Å; Y183-F334 HydrophobicContact CE1-CE2 3.99Å; Y183-F334 HydrophobicContact CE2-CE2 4.39Å; Y183-F334 HydrophobicContact CE2-CZ 4.48Å; Y183-F334 AromaticContact CZ-CE2 3.78Å; Y183-F334 AromaticContact CZ-CZ 3.98Å; Y183-F438 HydrophobicContact CE2-CD1 4.42Å; Y183-F438 HydrophobicContact CE2-CE1 4.14Å |
| 184 | G | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 139.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G186 N277 G278 A279 H508 | G184-G186 VanDerWaalsContact C-N 3.31Å; G184-G186 PolarHBondContact O-N 3.17Å; G184-N277 PolarHBondContact N-OD1 3.29Å; G184-G278 CarbonylContact O-C 3.54Å; G184-G278 VanDerWaalsContact O-CA 3.27Å; G184-G278 WeakPolarHBondContact O-CA 3.44Å; G184-A279 PolarHBondContact O-N 3.28Å; G184-H508 WeakPolarHBondContact CA-NE2 3.5Å |
| 185 | R | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 3.2 Ų | 3.2 | 0% | 0.004 | 2% | 0.018 | C | C | . | . | trans | -63.7 | -33.7 | -174.7 | 64.7 | -174.7 | 175.8 | -165.2 | -2.3 | 113.5 | P180 F438 H508 D509 E514 | P180-R185 HydrophobicContact CB-CB 4.04Å; P180-R185 HydrophobicContact CG-CB 4.21Å; R185-F438 HydrophobicContact CB-CB 4.39Å; R185-F438 WeakPolarHBondContact O-CB 3.4Å; R185-F438 WeakPolarHBondContact O-CD1 3.4Å; R185-H508 PolarHBondContact N-NE2 2.9Å; R185-D509 IonicContact CZ-OD1 3.09Å; R185-D509 VanDerWaalsContact CZ-OD1 3.23Å; R185-D509 IonicContact NH1-OD1 3.95Å; R185-D509 PolarHBondContact NH1-OD1 2.65Å; R185-D509 IonicContact NH2-OD1 3.62Å; R185-D509 PolarHBondContact NH2-OD1 3.47Å; R185-E514 VanDerWaalsContact CG-OE1 3.24Å; R185-E514 WeakPolarHBondContact CG-OE1 3.41Å; R185-E514 IonicContact CZ-OE1 3.06Å; R185-E514 IonicContact CZ-OE2 2.74Å; R185-E514 IonicContact NE-OE1 2.96Å; R185-E514 PolarHBondContact NE-OE1 2.98Å; R185-E514 IonicContact NE-OE2 3.96Å; R185-E514 IonicContact NH2-OE1 3.91Å; R185-E514 PolarHBondContact NH2-OE1 2.78Å; R185-E514 IonicContact NH2-OE2 2.78Å; R185-E514 PolarHBondContact NH2-OE2 3.45Å | ||
| 186 | G | 97 | Very high | 97.3 | Very high | 2 Ų | 2 | 3.2 Ų | 3.2 | 2% | 0.021 | 2% | 0.018 | C | C | . | . | trans | 59.4 | -144.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G184 I188 A280 | G184-G186 VanDerWaalsContact C-N 3.31Å; G184-G186 PolarHBondContact O-N 3.17Å; G186-I188 PolarHBondContact O-N 3.29Å; G186-A280 WeakPolarHBondContact CA-O 3.27Å | ||
| 187 | R | 97.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 3.1 Ų | 3.1 | 1% | 0.008 | 2% | 0.017 | C | C | . | . | trans | 58.4 | 34.8 | -177.5 | -66.5 | -62 | -155.9 | 85.1 | 0.3 | 113.6 | C423 S427 Q436 F438 D668 | R187-C423 WeakPolarHBondContact CA-SG 3.42Å; R187-S427 VanDerWaalsContact NH1-CB 3.32Å; R187-S427 PolarHBondContact NH1-OG 3.25Å; R187-S427 PolarHBondContact NH2-OG 3.38Å; R187-Q436 HydrophobicContact CB-CB 4.13Å; R187-Q436 WeakPolarHBondContact CB-O 3.48Å; R187-Q436 PolarHBondContact O-N 3.44Å; R187-Q436 VanDerWaalsContact O-N 3.16Å; R187-Q436 PolarHBondContact O-OE1 3.38Å; R187-Q436 VanDerWaalsContact O-OE1 3.1Å; R187-F438 HydrophobicContact CB-CB 3.98Å; R187-F438 HydrophobicContact CG-CB 3.47Å; R187-F438 VanDerWaalsContact CG-CB 3.47Å; R187-F438 HydrophobicContact CG-CD2 3.59Å; R187-F438 HydrophobicContact CG-CG 3.66Å; R187-D668 IonicContact CZ-OD1 2.85Å; R187-D668 IonicContact CZ-OD2 2.72Å; R187-D668 IonicContact NH1-OD1 3.51Å; R187-D668 PolarHBondContact NH1-OD1 3.47Å; R187-D668 IonicContact NH1-OD2 3.66Å; R187-D668 PolarHBondContact NH1-OD2 3.21Å; R187-D668 IonicContact NH2-OD1 2.68Å; R187-D668 IonicContact NH2-OD2 3.64Å; R187-D668 PolarHBondContact NH2-OD2 3.32Å | ||
| 188 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | -127.9 | 138.8 | 174.8 | -59 | 171.3 | 0 | 0 | 0 | 106.7 | G186 M435 E514 E517 L518 M521 | G186-I188 PolarHBondContact O-N 3.29Å; I188-M435 HydrophobicContact CD1-CE 3.65Å; I188-M435 HydrophobicContact CG1-CB 4.21Å; I188-M435 HydrophobicContact CG1-CE 3.76Å; I188-E514 HydrophobicContact CD1-CB 3.84Å; I188-E514 HydrophobicContact CD1-CG 3.68Å; I188-E517 HydrophobicContact CG2-CB 3.71Å; I188-E517 HydrophobicContact CG2-CG 4.5Å; I188-L518 HydrophobicContact CD1-CD2 4.43Å; I188-L518 HydrophobicContact CG2-CD2 4.15Å; I188-M521 HydrophobicContact CG2-SD 3.8Å | ||
| 189 | V | 97.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 1% | 0.006 | 2% | 0.015 | C | C | . | . | trans | -127.8 | 96.2 | 174.1 | -174.5 | 0 | 0 | 0 | 0 | 107 | Y192 C423 T429 | V189-Y192 HydrophobicContact CG1-CE2 4.41Å; V189-C423 HydrophobicContact CG2-CB 3.78Å; V189-C423 VanDerWaalsContact CG2-SG 3.59Å; V189-T429 HydrophobicContact CB-CG2 4.42Å; V189-T429 HydrophobicContact CG2-CG2 4.13Å | ||
| 190 | G | 98 | Very high | 97.8 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 1% | 0.01 | 1% | 0.014 | C | C | . | . | trans | -58.1 | 141.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y192 | G190-Y192 PolarHBondContact N-OH 2.93Å; G190-Y192 WeakPolarHBondContact O-CD2 3.44Å; G190-Y192 WeakPolarHBondContact O-CE2 3.01Å; G190-Y192 PolarHBondContact O-N 3.01Å | ||
| 191 | D | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 5.1 Ų | 5.1 | 3% | 0.027 | 3% | 0.027 | C | C | . | . | trans | -79.5 | 75.8 | 175.9 | -173.3 | 4.6 | 0 | 0 | 0 | 109.3 | V33 R193 R194 T431 L520 | V33-D191 VanDerWaalsContact CG2-OD2 3.28Å; V33-D191 WeakPolarHBondContact CG2-OD2 3.4Å; D191-R193 PolarHBondContact O-N 3.15Å; D191-R193 WeakPolarHBondContact OD1-CB 3.42Å; D191-R193 IonicContact OD1-CZ 3.72Å; D191-R193 IonicContact OD1-NE 2.76Å; D191-R193 PolarHBondContact OD1-NE 3.27Å; D191-R193 IonicContact OD1-NH2 3.23Å; D191-R193 PolarHBondContact OD1-NH2 3.12Å; D191-R193 IonicContact OD2-NH2 2.75Å; D191-R194 HydrophobicContact CB-CG 3.94Å; D191-R194 WeakPolarHBondContact O-CB 3.36Å; D191-R194 VanDerWaalsContact O-CG 3.31Å; D191-R194 WeakPolarHBondContact O-CG 3.28Å; D191-R194 PolarHBondContact O-N 3.43Å; D191-R194 WeakPolarHBondContact OD2-CG 3.31Å; D191-R194 IonicContact OD2-CZ 3.62Å; D191-R194 IonicContact OD2-NE 2.7Å; D191-R194 PolarHBondContact OD2-NE 2.93Å; D191-R194 IonicContact OD2-NH2 3.41Å; D191-T431 HydrophobicContact CB-CG2 4.02Å; D191-L520 WeakPolarHBondContact CB-O 3.37Å; D191-L520 PolarHBondContact N-O 3.14Å | ||
| 192 | Y | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 1% | 0.008 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.9 | -172.9 | -46.5 | -65.6 | 0 | 0 | 0 | 113.2 | V189 G190 R194 V195 T265 Y269 A272 S282 I283 L520 | V189-Y192 HydrophobicContact CG1-CE2 4.41Å; G190-Y192 PolarHBondContact N-OH 2.93Å; G190-Y192 WeakPolarHBondContact O-CD2 3.44Å; G190-Y192 WeakPolarHBondContact O-CE2 3.01Å; G190-Y192 PolarHBondContact O-N 3.01Å; Y192-R194 PolarHBondContact O-N 2.87Å; Y192-V195 WeakPolarHBondContact O-CB 3.42Å; Y192-V195 PolarHBondContact O-N 3.36Å; Y192-V195 VanDerWaalsContact O-N 3.13Å; Y192-T265 WeakPolarHBondContact CB-O 3.35Å; Y192-Y269 HydrophobicContact CD2-CD2 4.23Å; Y192-Y269 HydrophobicContact CE1-CD2 4.38Å; Y192-Y269 AromaticContact CE2-CD2 3.69Å; Y192-Y269 HydrophobicContact CE2-CD2 3.69Å; Y192-Y269 HydrophobicContact CE2-CG 4.49Å; Y192-Y269 AromaticContact CZ-CD2 3.77Å; Y192-A272 HydrophobicContact CE1-CB 4.05Å; Y192-S282 WeakPolarHBondContact CE2-O 3.47Å; Y192-S282 PolarHBondContact OH-O 3.24Å; Y192-I283 HydrophobicContact CD2-CG1 4.16Å; Y192-I283 VanDerWaalsContact CD2-O 3.26Å; Y192-I283 WeakPolarHBondContact CD2-O 3.42Å; Y192-I283 WeakPolarHBondContact CE2-O 3.38Å; Y192-L520 HydrophobicContact CD1-CD1 3.68Å; Y192-L520 HydrophobicContact CE1-CD1 4.3Å |
| 193 | R | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 5.4 Ų | 5.4 | 1% | 0.008 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59.8 | -27.5 | 173.1 | -54.4 | 172.9 | -64.9 | 178.5 | 16.4 | 112.2 | V33 I37 D191 V195 A196 L197 R285 V286 F289 D419 | V33-R193 HydrophobicContact CG1-CB 3.96Å; I37-R193 VanDerWaalsContact CD1-NH1 3.32Å; D191-R193 PolarHBondContact O-N 3.15Å; D191-R193 WeakPolarHBondContact OD1-CB 3.42Å; D191-R193 IonicContact OD1-CZ 3.72Å; D191-R193 IonicContact OD1-NE 2.76Å; D191-R193 PolarHBondContact OD1-NE 3.27Å; D191-R193 IonicContact OD1-NH2 3.23Å; D191-R193 PolarHBondContact OD1-NH2 3.12Å; D191-R193 IonicContact OD2-NH2 2.75Å; R193-V195 PolarHBondContact O-N 2.96Å; R193-A196 PolarHBondContact O-N 3.47Å; R193-L197 PolarHBondContact O-N 3.23Å; R193-R285 WeakPolarHBondContact CD-O 3.42Å; R193-R285 PolarHBondContact NH1-O 2.97Å; R193-V286 HydrophobicContact CG-CG1 3.97Å; R193-F289 HydrophobicContact CB-CD1 3.74Å; R193-F289 HydrophobicContact CB-CD2 4.09Å; R193-F289 HydrophobicContact CB-CE1 3.67Å; R193-F289 HydrophobicContact CB-CE2 4.02Å; R193-F289 HydrophobicContact CB-CG 3.96Å; R193-F289 HydrophobicContact CB-CZ 3.82Å; R193-F289 HydrophobicContact CG-CB 4.25Å; R193-F289 HydrophobicContact CG-CD1 3.57Å; R193-F289 HydrophobicContact CG-CD2 4.39Å; R193-F289 HydrophobicContact CG-CE1 3.99Å; R193-F289 HydrophobicContact CG-CG 3.8Å; R193-F289 WeakPolarHBondContact O-CZ 3.24Å; R193-D419 IonicContact CZ-OD1 3.8Å; R193-D419 IonicContact CZ-OD2 2.84Å; R193-D419 IonicContact NH1-OD1 2.94Å; R193-D419 PolarHBondContact NH1-OD1 3.43Å; R193-D419 IonicContact NH1-OD2 3.04Å; R193-D419 IonicContact NH2-OD1 2.78Å; R193-D419 PolarHBondContact NH2-OD1 3.33Å; R193-D419 IonicContact NH2-OD2 3.9Å; R193-D419 PolarHBondContact NH2-OD2 3.04Å |
| 194 | R | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 5.7 Ų | 5.7 | 3% | 0.03 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -58.8 | -35.8 | 175.8 | -68.8 | 178.9 | -174.9 | -157 | -1.3 | 111.9 | I31 V33 D191 Y192 A196 L197 Y198 L203 G432 L520 M521 D522 | I31-R194 HydrophobicContact CG2-CG 4.02Å; I31-R194 VanDerWaalsContact CG2-CZ 3.41Å; V33-R194 HydrophobicContact CG2-CG 3.72Å; D191-R194 HydrophobicContact CB-CG 3.94Å; D191-R194 WeakPolarHBondContact O-CB 3.36Å; D191-R194 VanDerWaalsContact O-CG 3.31Å; D191-R194 WeakPolarHBondContact O-CG 3.28Å; D191-R194 PolarHBondContact O-N 3.43Å; D191-R194 WeakPolarHBondContact OD2-CG 3.31Å; D191-R194 IonicContact OD2-CZ 3.62Å; D191-R194 IonicContact OD2-NE 2.7Å; D191-R194 PolarHBondContact OD2-NE 2.93Å; D191-R194 IonicContact OD2-NH2 3.41Å; Y192-R194 PolarHBondContact O-N 2.87Å; R194-A196 VanDerWaalsContact C-N 3.35Å; R194-L197 PolarHBondContact O-N 2.9Å; R194-Y198 HydrophobicContact CB-CD2 4.17Å; R194-Y198 HydrophobicContact CG-CD2 4.4Å; R194-Y198 HydrophobicContact CG-CE2 4.49Å; R194-Y198 WeakPolarHBondContact O-CB 3.06Å; R194-Y198 WeakPolarHBondContact O-CD2 3.38Å; R194-Y198 PolarHBondContact O-N 3.25Å; R194-L203 HydrophobicContact CB-CD1 4.02Å; R194-L203 HydrophobicContact CB-CD2 4.02Å; R194-G432 PolarHBondContact NH2-O 3.06Å; R194-L520 WeakPolarHBondContact CD-O 3.22Å; R194-L520 PolarHBondContact NE-O 3.28Å; R194-M521 VanDerWaalsContact NH1-C 3.28Å; R194-D522 IonicContact CZ-OD1 3.73Å; R194-D522 IonicContact NH1-OD1 3.36Å; R194-D522 PolarHBondContact NH1-OD1 2.87Å; R194-D522 VanDerWaalsContact NH1-OD1 3.14Å; R194-D522 IonicContact NH2-OD1 2.84Å; R194-D522 PolarHBondContact NH2-OD1 3.01Å |
| 195 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | Y192 R193 G199 I200 I251 W264 L520 | Y192-V195 WeakPolarHBondContact O-CB 3.42Å; Y192-V195 PolarHBondContact O-N 3.36Å; Y192-V195 VanDerWaalsContact O-N 3.13Å; R193-V195 PolarHBondContact O-N 2.96Å; V195-G199 VanDerWaalsContact O-CA 3.31Å; V195-G199 WeakPolarHBondContact O-CA 3.25Å; V195-G199 PolarHBondContact O-N 2.91Å; V195-I200 HydrophobicContact CG1-CD1 4.02Å; V195-I200 HydrophobicContact CG1-CG1 4.32Å; V195-I200 HydrophobicContact CG2-CD1 4.26Å; V195-I251 HydrophobicContact CG1-CD1 4.15Å; V195-W264 HydrophobicContact CG1-CB 4.07Å; V195-W264 HydrophobicContact CG1-CG 4.48Å; V195-W264 WeakPolarHBondContact CG1-O 3.41Å; V195-L520 HydrophobicContact CG2-CD1 4.04Å; V195-L520 HydrophobicContact CG2-CD2 3.71Å |
| 196 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R193 R194 A255 A261 W264 T265 F289 | R193-A196 PolarHBondContact O-N 3.47Å; R194-A196 VanDerWaalsContact C-N 3.35Å; A196-A255 HydrophobicContact CB-CB 4.24Å; A196-A255 WeakPolarHBondContact O-CB 3.47Å; A196-A255 PolarHBondContact O-N 3.3Å; A196-A261 HydrophobicContact CB-CB 4.38Å; A196-A261 WeakPolarHBondContact CB-O 3.44Å; A196-W264 HydrophobicContact CB-CB 3.85Å; A196-T265 WeakPolarHBondContact CB-OG1 3.2Å; A196-F289 HydrophobicContact CB-CE1 3.91Å; A196-F289 HydrophobicContact CB-CZ 3.87Å |
| 197 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -71.1 | -38.1 | -173.4 | -174.9 | 56.7 | 0 | 0 | 0 | 113.2 | W19 W27 V33 F36 R193 R194 P254 F289 | W19-L197 PolarHBondContact NE1-O 3.23Å; W27-L197 HydrophobicContact CE3-CD1 3.92Å; W27-L197 HydrophobicContact CE3-CD2 4.29Å; W27-L197 HydrophobicContact CE3-CG 4.31Å; W27-L197 HydrophobicContact CH2-CD1 4.41Å; W27-L197 HydrophobicContact CZ3-CD1 3.66Å; W27-L197 HydrophobicContact CZ3-CG 4.41Å; V33-L197 HydrophobicContact CG2-CD2 4.13Å; F36-L197 HydrophobicContact CB-CD1 4.47Å; F36-L197 HydrophobicContact CB-CD2 3.61Å; F36-L197 HydrophobicContact CD1-CD1 3.98Å; F36-L197 HydrophobicContact CD1-CD2 3.96Å; F36-L197 HydrophobicContact CD2-CD1 3.63Å; F36-L197 HydrophobicContact CD2-CD2 4.32Å; F36-L197 HydrophobicContact CE1-CD1 4.06Å; F36-L197 HydrophobicContact CE2-CD1 3.71Å; F36-L197 HydrophobicContact CG-CD1 3.75Å; F36-L197 HydrophobicContact CG-CD2 3.7Å; F36-L197 HydrophobicContact CG-CG 4.41Å; F36-L197 HydrophobicContact CZ-CD1 3.91Å; R193-L197 PolarHBondContact O-N 3.23Å; R194-L197 PolarHBondContact O-N 2.9Å; L197-P254 VanDerWaalsContact O-CB 3.29Å; L197-P254 WeakPolarHBondContact O-CB 3.41Å; L197-F289 HydrophobicContact CB-CE2 4.18Å; L197-F289 HydrophobicContact CB-CZ 4.23Å |
| 198 | Y | 98.2 | Very high | 98.2 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -114 | -26.4 | -169.5 | -62.1 | -70.6 | 0 | 0 | 0 | 114.5 | W19 W27 E30 I31 N32 V33 R194 Y202 L203 P254 | W19-Y198 HydrophobicContact CH2-CD1 4.49Å; W19-Y198 HydrophobicContact CZ2-CD1 4.08Å; W19-Y198 HydrophobicContact CZ2-CE1 4.45Å; W27-Y198 WeakPolarHBondContact O-CE1 3.24Å; W27-Y198 PolarHBondContact O-OH 2.95Å; E30-Y198 PolarHBondContact O-OH 2.9Å; E30-Y198 VanDerWaalsContact O-OH 3.09Å; I31-Y198 HydrophobicContact CB-CE2 4.38Å; I31-Y198 HydrophobicContact CG2-CD2 4.43Å; I31-Y198 HydrophobicContact CG2-CE2 3.89Å; N32-Y198 PolarHBondContact N-OH 3.37Å; V33-Y198 HydrophobicContact CG2-CE2 4.14Å; R194-Y198 HydrophobicContact CB-CD2 4.17Å; R194-Y198 HydrophobicContact CG-CD2 4.4Å; R194-Y198 HydrophobicContact CG-CE2 4.49Å; R194-Y198 WeakPolarHBondContact O-CB 3.06Å; R194-Y198 WeakPolarHBondContact O-CD2 3.38Å; R194-Y198 PolarHBondContact O-N 3.25Å; Y198-Y202 AromaticContact CD1-CD1 3.83Å; Y198-Y202 HydrophobicContact CD1-CD1 3.83Å; Y198-Y202 AromaticContact CD1-CE1 3.79Å; Y198-Y202 HydrophobicContact CD1-CE1 3.79Å; Y198-Y202 HydrophobicContact CD1-CG 4.39Å; Y198-Y202 HydrophobicContact CE1-CE1 4.28Å; Y198-Y202 AromaticContact CG-CD1 3.99Å; Y198-Y202 HydrophobicContact CG-CD1 3.99Å; Y198-Y202 HydrophobicContact CG-CE1 4.28Å; Y198-Y202 WeakPolarHBondContact O-CB 3.25Å; Y198-L203 HydrophobicContact CD2-CD2 4.13Å; Y198-L203 HydrophobicContact CG-CD2 4.32Å; Y198-P254 WeakPolarHBondContact O-CD 3.14Å |
| 199 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | 74.7 | 158.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V195 D201 L203 R253 | V195-G199 VanDerWaalsContact O-CA 3.31Å; V195-G199 WeakPolarHBondContact O-CA 3.25Å; V195-G199 PolarHBondContact O-N 2.91Å; G199-D201 PolarHBondContact O-N 3.16Å; G199-L203 WeakPolarHBondContact O-CG 3.26Å; G199-L203 PolarHBondContact O-N 2.73Å; G199-R253 VanDerWaalsContact CA-C 3.44Å; G199-R253 WeakPolarHBondContact CA-O 3.32Å | ||
| 200 | I | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66 | -37.2 | -173.8 | -68 | -63.8 | 0 | 0 | 0 | 112.6 | V195 Y202 L203 M204 L237 I240 K241 I251 S252 | V195-I200 HydrophobicContact CG1-CD1 4.02Å; V195-I200 HydrophobicContact CG1-CG1 4.32Å; V195-I200 HydrophobicContact CG2-CD1 4.26Å; I200-Y202 PolarHBondContact O-N 2.99Å; I200-L203 PolarHBondContact O-N 3.12Å; I200-M204 HydrophobicContact CG2-CG 3.96Å; I200-M204 HydrophobicContact CG2-SD 3.58Å; I200-M204 VanDerWaalsContact CG2-SD 3.58Å; I200-M204 WeakPolarHBondContact O-CB 3.23Å; I200-M204 VanDerWaalsContact O-CG 3.3Å; I200-M204 WeakPolarHBondContact O-CG 3.43Å; I200-M204 PolarHBondContact O-N 3.06Å; I200-L237 HydrophobicContact CD1-CD2 4.03Å; I200-L237 HydrophobicContact CG2-CB 4.17Å; I200-L237 WeakPolarHBondContact CG2-O 3.36Å; I200-I240 HydrophobicContact CD1-CB 4.15Å; I200-I240 HydrophobicContact CD1-CG2 4.19Å; I200-K241 HydrophobicContact CB-CB 4.45Å; I200-K241 HydrophobicContact CG1-CB 4.47Å; I200-K241 HydrophobicContact CG2-CB 4.06Å; I200-K241 HydrophobicContact CG2-CD 4.45Å; I200-I251 HydrophobicContact CD1-CD1 4.18Å; I200-I251 HydrophobicContact CG1-CD1 3.54Å; I200-I251 HydrophobicContact CG1-CG1 3.72Å; I200-I251 PolarHBondContact N-O 3.05Å; I200-S252 PolarHBondContact N-O 2.97Å |
| 201 | D | 98 | Very high | 98 | Very high | 52 Ų | 52 | 24.9 Ų | 24.9 | 28% | 0.278 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -68.5 | -38.1 | -173.9 | -77.4 | 7.7 | 0 | 0 | 0 | 111.6 | M11 G199 M204 Q205 K241 S252 | M11-D201 HydrophobicContact CE-CB 4.46Å; G199-D201 PolarHBondContact O-N 3.16Å; D201-M204 PolarHBondContact O-N 3.47Å; D201-Q205 WeakPolarHBondContact O-CG 3.4Å; D201-Q205 PolarHBondContact O-N 3.33Å; D201-Q205 VanDerWaalsContact O-N 3.07Å; D201-K241 IonicContact OD1-NZ 2.66Å; D201-K241 PolarHBondContact OD1-NZ 3.1Å; D201-K241 IonicContact OD2-NZ 3.81Å; D201-S252 WeakPolarHBondContact CB-O 3.48Å; D201-S252 PolarHBondContact N-O 2.54Å; D201-S252 VanDerWaalsContact N-O 3.09Å |
| 202 | Y | 97 | Very high | 97.7 | Very high | 25 Ų | 25 | 28.2 Ų | 28.2 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -49.3 | 172.8 | -175.3 | -82 | 0 | 0 | 0 | 111 | I31 Y198 I200 M204 Q205 E206 | I31-Y202 HydrophobicContact CG1-CE1 3.91Å; Y198-Y202 AromaticContact CD1-CD1 3.83Å; Y198-Y202 HydrophobicContact CD1-CD1 3.83Å; Y198-Y202 AromaticContact CD1-CE1 3.79Å; Y198-Y202 HydrophobicContact CD1-CE1 3.79Å; Y198-Y202 HydrophobicContact CD1-CG 4.39Å; Y198-Y202 HydrophobicContact CE1-CE1 4.28Å; Y198-Y202 AromaticContact CG-CD1 3.99Å; Y198-Y202 HydrophobicContact CG-CD1 3.99Å; Y198-Y202 HydrophobicContact CG-CE1 4.28Å; Y198-Y202 WeakPolarHBondContact O-CB 3.25Å; I200-Y202 PolarHBondContact O-N 2.99Å; Y202-M204 VanDerWaalsContact C-N 3.31Å; Y202-M204 PolarHBondContact O-N 3.03Å; Y202-Q205 PolarHBondContact O-N 2.75Å; Y202-Q205 VanDerWaalsContact O-N 3.1Å; Y202-E206 HydrophobicContact CD1-CG 3.94Å; Y202-E206 HydrophobicContact CE1-CG 3.55Å; Y202-E206 PolarHBondContact O-N 2.87Å |
| 203 | L | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 180 | -61.5 | 174.8 | 0 | 0 | 0 | 112.3 | I31 R194 Y198 G199 I200 E206 K207 L237 L520 | I31-L203 HydrophobicContact CD1-CD2 3.64Å; I31-L203 HydrophobicContact CG1-CD2 4.23Å; R194-L203 HydrophobicContact CB-CD1 4.02Å; R194-L203 HydrophobicContact CB-CD2 4.02Å; Y198-L203 HydrophobicContact CD2-CD2 4.13Å; Y198-L203 HydrophobicContact CG-CD2 4.32Å; G199-L203 WeakPolarHBondContact O-CG 3.26Å; G199-L203 PolarHBondContact O-N 2.73Å; I200-L203 PolarHBondContact O-N 3.12Å; L203-E206 PolarHBondContact O-N 3.39Å; L203-K207 PolarHBondContact O-N 3.48Å; L203-L237 HydrophobicContact CB-CD1 4.01Å; L203-L237 HydrophobicContact CB-CD2 4.34Å; L203-L237 HydrophobicContact CD1-CD2 4.44Å; L203-L520 HydrophobicContact CD1-CD2 3.84Å |
| 204 | M | 98.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.064 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.9 | -75.2 | 179.3 | 70.1 | 0 | 0 | 111.9 | I200 D201 Y202 K207 L208 Y234 L237 K238 | I200-M204 HydrophobicContact CG2-CG 3.96Å; I200-M204 HydrophobicContact CG2-SD 3.58Å; I200-M204 VanDerWaalsContact CG2-SD 3.58Å; I200-M204 WeakPolarHBondContact O-CB 3.23Å; I200-M204 VanDerWaalsContact O-CG 3.3Å; I200-M204 WeakPolarHBondContact O-CG 3.43Å; I200-M204 PolarHBondContact O-N 3.06Å; D201-M204 PolarHBondContact O-N 3.47Å; Y202-M204 VanDerWaalsContact C-N 3.31Å; Y202-M204 PolarHBondContact O-N 3.03Å; M204-K207 PolarHBondContact O-N 2.95Å; M204-L208 WeakPolarHBondContact O-CG 3.43Å; M204-L208 PolarHBondContact O-N 3.18Å; M204-L208 VanDerWaalsContact O-N 3.08Å; M204-Y234 HydrophobicContact CB-CD2 4.06Å; M204-Y234 HydrophobicContact CB-CE2 3.76Å; M204-Y234 HydrophobicContact CE-CD1 4.26Å; M204-Y234 HydrophobicContact CE-CD2 4.1Å; M204-Y234 HydrophobicContact CE-CE1 3.65Å; M204-Y234 HydrophobicContact CE-CE2 3.48Å; M204-Y234 VanDerWaalsContact CE-CE2 3.48Å; M204-Y234 HydrophobicContact CE-CG 4.46Å; M204-Y234 WeakPolarHBondContact CE-OH 3.37Å; M204-Y234 HydrophobicContact CG-CD2 4.32Å; M204-Y234 HydrophobicContact CG-CE2 4.24Å; M204-L237 HydrophobicContact CB-CD1 4.49Å; M204-L237 HydrophobicContact CG-CB 3.56Å; M204-L237 HydrophobicContact CG-CD1 3.8Å; M204-L237 HydrophobicContact CG-CG 4.33Å; M204-L237 HydrophobicContact SD-CB 4.23Å; M204-K238 HydrophobicContact CE-CB 4.02Å; M204-K238 HydrophobicContact SD-CB 4.41Å |
| 205 | Q | 97.8 | Very high | 96.2 | Very high | 94 Ų | 94 | 35.3 Ų | 35.3 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 175.5 | -68.3 | -62 | -17.7 | 0 | 0 | 112 | D201 Y202 L208 K209 | D201-Q205 WeakPolarHBondContact O-CG 3.4Å; D201-Q205 PolarHBondContact O-N 3.33Å; D201-Q205 VanDerWaalsContact O-N 3.07Å; Y202-Q205 PolarHBondContact O-N 2.75Å; Y202-Q205 VanDerWaalsContact O-N 3.1Å; Q205-L208 PolarHBondContact O-N 2.75Å; Q205-K209 WeakPolarHBondContact O-CG 3.27Å; Q205-K209 PolarHBondContact O-N 2.77Å |
| 206 | E | 97.5 | Very high | 95.2 | Very high | 31 Ų | 31 | 44 Ų | 44 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.7 | -65.2 | -51.8 | 109.1 | 0 | 0 | 111.6 | I31 Y202 L203 L208 K209 D210 | I31-E206 HydrophobicContact CD1-CB 3.82Å; I31-E206 HydrophobicContact CD1-CG 3.78Å; I31-E206 HydrophobicContact CG1-CG 4.08Å; Y202-E206 HydrophobicContact CD1-CG 3.94Å; Y202-E206 HydrophobicContact CE1-CG 3.55Å; Y202-E206 PolarHBondContact O-N 2.87Å; L203-E206 PolarHBondContact O-N 3.39Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 2.71Å; E206-K209 WeakPolarHBondContact O-CB 3.12Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 VanDerWaalsContact O-N 3.07Å; E206-K209 WeakPolarHBondContact OE1-CE 3.32Å; E206-K209 IonicContact OE1-NZ 2.64Å; E206-K209 PolarHBondContact OE1-NZ 3.36Å; E206-K209 IonicContact OE2-NZ 3.85Å; E206-D210 PolarHBondContact O-N 2.79Å |
| 207 | K | 98 | Very high | 94.2 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -33.4 | 175 | -69.1 | -66.2 | 173.7 | 179 | 0 | 113.4 | L203 M204 D210 H211 I230 Q233 L237 A519 M521 T523 | L203-K207 PolarHBondContact O-N 3.48Å; M204-K207 PolarHBondContact O-N 2.95Å; K207-D210 PolarHBondContact O-N 3.09Å; K207-H211 WeakPolarHBondContact O-CB 3.4Å; K207-H211 PolarHBondContact O-N 3.47Å; K207-I230 HydrophobicContact CB-CG2 4.22Å; K207-I230 HydrophobicContact CD-CG2 4.33Å; K207-I230 VanDerWaalsContact O-CG2 3.25Å; K207-I230 WeakPolarHBondContact O-CG2 3.29Å; K207-Q233 VanDerWaalsContact CE-OE1 3.24Å; K207-L237 HydrophobicContact CG-CD1 4.03Å; K207-A519 WeakPolarHBondContact CE-O 3.33Å; K207-M521 PolarHBondContact NZ-O 2.93Å; K207-T523 PolarHBondContact NZ-OG1 3.08Å; K207-T523 VanDerWaalsContact NZ-OG1 3.14Å |
| 208 | L | 97.7 | Very high | 93.3 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 171.8 | -71.7 | 175.1 | 0 | 0 | 0 | 112.2 | M204 Q205 E206 H211 A212 Y234 | M204-L208 WeakPolarHBondContact O-CG 3.43Å; M204-L208 PolarHBondContact O-N 3.18Å; M204-L208 VanDerWaalsContact O-N 3.08Å; Q205-L208 PolarHBondContact O-N 2.75Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 2.71Å; L208-H211 PolarHBondContact O-N 3.27Å; L208-A212 WeakPolarHBondContact O-CB 3.49Å; L208-A212 PolarHBondContact O-N 3.18Å; L208-Y234 HydrophobicContact CD1-CD2 4.46Å; L208-Y234 HydrophobicContact CD1-CE2 3.67Å; L208-Y234 HydrophobicContact CD2-CD2 3.93Å; L208-Y234 HydrophobicContact CD2-CE2 3.79Å; L208-Y234 HydrophobicContact CG-CD2 3.83Å; L208-Y234 HydrophobicContact CG-CE2 3.54Å |
| 209 | K | 96.6 | Very high | 92.8 | Very high | 108 Ų | 108 | 60.3 Ų | 60.3 | 47% | 0.47 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 173.9 | -67.3 | 172.8 | -173.8 | 171.9 | 0 | 111 | Q205 E206 H211 A212 N213 | Q205-K209 WeakPolarHBondContact O-CG 3.27Å; Q205-K209 PolarHBondContact O-N 2.77Å; E206-K209 WeakPolarHBondContact O-CB 3.12Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 VanDerWaalsContact O-N 3.07Å; E206-K209 WeakPolarHBondContact OE1-CE 3.32Å; E206-K209 IonicContact OE1-NZ 2.64Å; E206-K209 PolarHBondContact OE1-NZ 3.36Å; E206-K209 IonicContact OE2-NZ 3.85Å; K209-H211 VanDerWaalsContact C-N 3.34Å; K209-H211 PolarHBondContact O-N 2.62Å; K209-A212 WeakPolarHBondContact O-CB 3.41Å; K209-A212 PolarHBondContact O-N 3Å; K209-A212 VanDerWaalsContact O-N 3.11Å; K209-N213 PolarHBondContact O-N 3.01Å; K209-N213 PolarHBondContact O-ND2 3.37Å |
| 210 | D | 95.7 | Very high | 92.6 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 176.1 | -71.6 | -15.3 | 0 | 0 | 0 | 111.4 | E206 K207 A212 N213 C214 I230 T523 | E206-D210 PolarHBondContact O-N 2.79Å; K207-D210 PolarHBondContact O-N 3.09Å; D210-A212 VanDerWaalsContact C-N 3.29Å; D210-A212 PolarHBondContact O-N 3.46Å; D210-N213 PolarHBondContact O-N 3.05Å; D210-N213 VanDerWaalsContact O-N 3.11Å; D210-C214 WeakPolarHBondContact O-CB 3.33Å; D210-C214 PolarHBondContact O-N 3.43Å; D210-I230 HydrophobicContact CB-CD1 4.37Å; D210-T523 HydrophobicContact CB-CG2 4.2Å; D210-T523 VanDerWaalsContact CG-OG1 3.3Å; D210-T523 WeakPolarHBondContact OD2-CB 3.45Å; D210-T523 PolarHBondContact OD2-OG1 3.42Å |
| 211 | H | 95.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.5 | -36.1 | 175.6 | -177.7 | -100.9 | 0 | 0 | 0 | 112.5 | K207 L208 K209 N213 R227 I230 | K207-H211 WeakPolarHBondContact O-CB 3.4Å; K207-H211 PolarHBondContact O-N 3.47Å; L208-H211 PolarHBondContact O-N 3.27Å; K209-H211 VanDerWaalsContact C-N 3.34Å; K209-H211 PolarHBondContact O-N 2.62Å; H211-N213 VanDerWaalsContact C-N 3.32Å; H211-R227 PolarHBondContact CD2-O 3.3Å; H211-R227 PolarHBondContact CE1-NH2 3.48Å; H211-R227 PolarHBondContact NE2-NH2 2.88Å; H211-R227 VanDerWaalsContact NE2-NH2 3.17Å; H211-R227 PolarHBondContact O-NH1 3.02Å; H211-I230 HydrophobicContact CB-CB 4.48Å; H211-I230 HydrophobicContact CB-CG2 3.78Å |
| 212 | A | 94.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 71.5 Ų | 71.5 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.3 | -29.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L208 K209 D210 | L208-A212 WeakPolarHBondContact O-CB 3.49Å; L208-A212 PolarHBondContact O-N 3.18Å; K209-A212 WeakPolarHBondContact O-CB 3.41Å; K209-A212 PolarHBondContact O-N 3Å; K209-A212 VanDerWaalsContact O-N 3.11Å; D210-A212 VanDerWaalsContact C-N 3.29Å; D210-A212 PolarHBondContact O-N 3.46Å |
| 213 | N | 91.7 | Very high | 92 | Very high | 122 Ų | 122 | 72.1 Ų | 72.1 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -90.5 | -13.8 | -178.6 | -68.8 | -34.9 | 0 | 0 | 0 | 114.1 | K209 D210 H211 | K209-N213 PolarHBondContact O-N 3.01Å; K209-N213 PolarHBondContact O-ND2 3.37Å; D210-N213 PolarHBondContact O-N 3.05Å; D210-N213 VanDerWaalsContact O-N 3.11Å; H211-N213 VanDerWaalsContact C-N 3.32Å |
| 214 | C | 91.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 76 Ų | 76 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 122 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | D210 R227 I230 | D210-C214 WeakPolarHBondContact O-CB 3.33Å; D210-C214 PolarHBondContact O-N 3.43Å; C214-R227 HydrophobicContact CB-CG 3.82Å; C214-R227 PolarHBondContact O-NH1 2.97Å; C214-R227 VanDerWaalsContact SG-CG 3.59Å; C214-I230 HydrophobicContact CB-CD1 4.17Å |
| 215 | G | 81.3 | Confident | 91.7 | Very high | 22 Ų | 22 | 77.6 Ų | 77.6 | 23% | 0.227 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 29.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | G217 Q218 | G215-G217 PolarHBondContact O-N 3.31Å; G215-G217 VanDerWaalsContact O-N 3.16Å; G215-Q218 CarbonylContact C-O 3.44Å |
| 216 | H | 77.5 | Confident | 91.7 | Very high | 182 Ų | 182 | 74.2 Ų | 74.2 | 84% | 0.843 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -74.7 | 104.8 | -178.8 | -172.3 | -74.6 | 0 | 0 | 0 | 112.7 | ||
| 217 | G | 78.2 | Confident | 91.6 | Very high | 83 Ų | 83 | 75.8 Ų | 75.8 | 86% | 0.856 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 93.7 | -14.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G215 | G215-G217 PolarHBondContact O-N 3.31Å; G215-G217 VanDerWaalsContact O-N 3.16Å |
| 218 | Q | 78.7 | Confident | 91.6 | Very high | 142 Ų | 142 | 81.6 Ų | 81.6 | 66% | 0.664 | 43% | 0.429 | S | S | * | . | trans | -146.3 | 138.1 | 172 | -171.9 | 172 | -20.1 | 0 | 0 | 108.3 | G215 T220 | G215-Q218 CarbonylContact C-O 3.44Å; Q218-T220 HydrophobicContact CG-CG2 3.99Å | ||
| 219 | F | 87.9 | Confident | 91.6 | Very high | 120 Ų | 120 | 78.7 Ų | 78.7 | 53% | 0.526 | 41% | 0.414 | S | S | . | . | trans | -127.1 | 81.5 | -175.1 | -155.1 | -141.2 | 0 | 0 | 0 | 110.1 | D223 I224 R227 | F219-D223 HydrophobicContact CD2-CB 3.66Å; F219-D223 HydrophobicContact CE2-CB 3.91Å; F219-I224 HydrophobicContact CD1-CD1 4.16Å; F219-I224 HydrophobicContact CD1-CG1 3.75Å; F219-I224 HydrophobicContact CD2-CG1 4.12Å; F219-I224 HydrophobicContact CE1-CD1 4.16Å; F219-I224 HydrophobicContact CE1-CG1 3.41Å; F219-I224 VanDerWaalsContact CE1-CG1 3.41Å; F219-I224 HydrophobicContact CE2-CB 4.46Å; F219-I224 HydrophobicContact CE2-CG1 3.73Å; F219-I224 HydrophobicContact CG-CG1 4.1Å; F219-I224 HydrophobicContact CZ-CB 4.2Å; F219-I224 HydrophobicContact CZ-CG1 3.38Å; F219-R227 HydrophobicContact CE2-CG 4.43Å | ||
| 220 | T | 93.5 | Very high | 91.7 | Very high | 45 Ų | 45 | 73.6 Ų | 73.6 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | trans | -79.5 | 170.3 | 178.6 | 69 | 0 | 0 | 0 | 0 | 111.3 | Q218 E222 D223 I224 | Q218-T220 HydrophobicContact CG-CG2 3.99Å; T220-E222 PolarHBondContact O-N 3.4Å; T220-E222 PolarHBondContact OG1-N 2.87Å; T220-D223 WeakPolarHBondContact CB-OD2 3.26Å; T220-D223 PolarHBondContact N-OD2 3.33Å; T220-D223 PolarHBondContact O-N 3.4Å; T220-D223 PolarHBondContact OG1-N 2.61Å; T220-D223 PolarHBondContact OG1-OD2 3.1Å; T220-I224 WeakPolarHBondContact O-CG1 3.33Å; T220-I224 PolarHBondContact O-N 2.94Å | ||
| 221 | E | 94.1 | Very high | 91.8 | Very high | 135 Ų | 135 | 73.1 Ų | 73.1 | 63% | 0.631 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.1 | -35.3 | 171.4 | -174.8 | 179.5 | 164.6 | 0 | 0 | 111.8 | I224 R225 | E221-I224 PolarHBondContact O-N 3.12Å; E221-R225 WeakPolarHBondContact O-CB 3.33Å; E221-R225 PolarHBondContact O-N 3.28Å |
| 222 | E | 93.6 | Very high | 92 | Very high | 108 Ų | 108 | 73.1 Ų | 73.1 | 51% | 0.505 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 177.5 | -54.5 | -168.6 | 146.7 | 0 | 0 | 111.8 | T220 L226 | T220-E222 PolarHBondContact O-N 3.4Å; T220-E222 PolarHBondContact OG1-N 2.87Å; E222-L226 WeakPolarHBondContact O-CB 3.27Å; E222-L226 PolarHBondContact O-N 3.03Å |
| 223 | D | 93.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 69.7 Ų | 69.7 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 175.8 | -60 | -66.6 | 0 | 0 | 0 | 111.5 | F219 T220 L226 R227 | F219-D223 HydrophobicContact CD2-CB 3.66Å; F219-D223 HydrophobicContact CE2-CB 3.91Å; T220-D223 WeakPolarHBondContact CB-OD2 3.26Å; T220-D223 PolarHBondContact N-OD2 3.33Å; T220-D223 PolarHBondContact O-N 3.4Å; T220-D223 PolarHBondContact OG1-N 2.61Å; T220-D223 PolarHBondContact OG1-OD2 3.1Å; D223-L226 PolarHBondContact O-N 3.11Å; D223-R227 VanDerWaalsContact O-CG 3.28Å; D223-R227 WeakPolarHBondContact O-CG 3.24Å; D223-R227 PolarHBondContact O-N 2.92Å |
| 224 | I | 95 | Very high | 92.5 | Very high | 84 Ų | 84 | 67.4 Ų | 67.4 | 43% | 0.431 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 178.1 | -68.3 | 161.6 | 0 | 0 | 0 | 110 | F219 T220 E221 L226 R227 E228 | F219-I224 HydrophobicContact CD1-CD1 4.16Å; F219-I224 HydrophobicContact CD1-CG1 3.75Å; F219-I224 HydrophobicContact CD2-CG1 4.12Å; F219-I224 HydrophobicContact CE1-CD1 4.16Å; F219-I224 HydrophobicContact CE1-CG1 3.41Å; F219-I224 VanDerWaalsContact CE1-CG1 3.41Å; F219-I224 HydrophobicContact CE2-CB 4.46Å; F219-I224 HydrophobicContact CE2-CG1 3.73Å; F219-I224 HydrophobicContact CG-CG1 4.1Å; F219-I224 HydrophobicContact CZ-CB 4.2Å; F219-I224 HydrophobicContact CZ-CG1 3.38Å; T220-I224 WeakPolarHBondContact O-CG1 3.33Å; T220-I224 PolarHBondContact O-N 2.94Å; E221-I224 PolarHBondContact O-N 3.12Å; I224-L226 PolarHBondContact O-N 2.91Å; I224-R227 PolarHBondContact O-N 3.26Å; I224-E228 PolarHBondContact O-N 3.36Å; I224-E228 VanDerWaalsContact O-N 3.14Å |
| 225 | R | 96.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 71.7 Ų | 71.7 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 177.6 | 177.9 | 176.3 | 60 | -137.2 | -5.7 | 111.1 | E221 R227 E228 E229 | E221-R225 WeakPolarHBondContact O-CB 3.33Å; E221-R225 PolarHBondContact O-N 3.28Å; R225-R227 VanDerWaalsContact C-N 3.31Å; R225-R227 PolarHBondContact O-N 3.27Å; R225-E228 WeakPolarHBondContact O-CB 3.31Å; R225-E228 PolarHBondContact O-N 2.88Å; R225-E229 HydrophobicContact CG-CG 4.34Å; R225-E229 WeakPolarHBondContact O-CB 3.17Å; R225-E229 VanDerWaalsContact O-CG 3.31Å; R225-E229 WeakPolarHBondContact O-CG 3.49Å; R225-E229 PolarHBondContact O-N 3.03Å |
| 226 | L | 96.3 | Very high | 93.7 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -36.7 | -178.2 | -176.7 | 57.2 | 0 | 0 | 0 | 112.3 | E222 D223 I224 E229 I230 T523 | E222-L226 WeakPolarHBondContact O-CB 3.27Å; E222-L226 PolarHBondContact O-N 3.03Å; D223-L226 PolarHBondContact O-N 3.11Å; I224-L226 PolarHBondContact O-N 2.91Å; L226-E229 WeakPolarHBondContact O-CB 3.48Å; L226-E229 PolarHBondContact O-N 2.85Å; L226-I230 HydrophobicContact CD1-CD1 4.39Å; L226-I230 HydrophobicContact CD1-CG1 4.34Å; L226-I230 HydrophobicContact CG-CD1 4.04Å; L226-I230 HydrophobicContact CG-CG1 4.49Å; L226-I230 WeakPolarHBondContact O-CD1 3.48Å; L226-I230 WeakPolarHBondContact O-CG1 3.26Å; L226-I230 PolarHBondContact O-N 2.66Å; L226-T523 HydrophobicContact CD1-CG2 4.04Å; L226-T523 HydrophobicContact CD2-CG2 4.25Å; L226-T523 HydrophobicContact CG-CG2 4.32Å |
| 227 | R | 96.7 | Very high | 94.7 | Very high | 65 Ų | 65 | 62 Ų | 62 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 175.5 | -71.9 | 172.6 | 71.4 | 79.8 | 11.3 | 113.4 | H211 C214 F219 D223 I224 R225 S231 | H211-R227 PolarHBondContact CD2-O 3.3Å; H211-R227 PolarHBondContact CE1-NH2 3.48Å; H211-R227 PolarHBondContact NE2-NH2 2.88Å; H211-R227 VanDerWaalsContact NE2-NH2 3.17Å; H211-R227 PolarHBondContact O-NH1 3.02Å; C214-R227 HydrophobicContact CB-CG 3.82Å; C214-R227 PolarHBondContact O-NH1 2.97Å; C214-R227 VanDerWaalsContact SG-CG 3.59Å; F219-R227 HydrophobicContact CE2-CG 4.43Å; D223-R227 VanDerWaalsContact O-CG 3.28Å; D223-R227 WeakPolarHBondContact O-CG 3.24Å; D223-R227 PolarHBondContact O-N 2.92Å; I224-R227 PolarHBondContact O-N 3.26Å; R225-R227 VanDerWaalsContact C-N 3.31Å; R225-R227 PolarHBondContact O-N 3.27Å; R227-S231 WeakPolarHBondContact O-CB 3.44Å; R227-S231 PolarHBondContact O-N 3.29Å; R227-S231 PolarHBondContact O-OG 3.21Å |
| 228 | E | 97.8 | Very high | 95.7 | Very high | 127 Ų | 127 | 63.1 Ų | 63.1 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -48.7 | 172.8 | -178.1 | 172.3 | -139.9 | 0 | 0 | 110.2 | I224 R225 I230 S231 D232 | I224-E228 PolarHBondContact O-N 3.36Å; I224-E228 VanDerWaalsContact O-N 3.14Å; R225-E228 WeakPolarHBondContact O-CB 3.31Å; R225-E228 PolarHBondContact O-N 2.88Å; E228-I230 PolarHBondContact O-N 3.12Å; E228-S231 WeakPolarHBondContact O-CA 3.48Å; E228-S231 VanDerWaalsContact O-CB 3.32Å; E228-S231 WeakPolarHBondContact O-CB 3.12Å; E228-S231 PolarHBondContact O-N 3.28Å; E228-D232 PolarHBondContact O-N 3.2Å |
| 229 | E | 98.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.4 | -48.6 | 175.3 | -73.4 | 174.6 | 169.5 | 0 | 0 | 111.9 | R225 L226 S231 D232 Q233 Y513 R602 | R225-E229 HydrophobicContact CG-CG 4.34Å; R225-E229 WeakPolarHBondContact O-CB 3.17Å; R225-E229 VanDerWaalsContact O-CG 3.31Å; R225-E229 WeakPolarHBondContact O-CG 3.49Å; R225-E229 PolarHBondContact O-N 3.03Å; L226-E229 WeakPolarHBondContact O-CB 3.48Å; L226-E229 PolarHBondContact O-N 2.85Å; E229-S231 VanDerWaalsContact C-N 3.29Å; E229-S231 PolarHBondContact O-N 3.46Å; E229-D232 PolarHBondContact O-N 2.95Å; E229-Q233 VanDerWaalsContact O-CG 3.24Å; E229-Q233 WeakPolarHBondContact O-CG 3.3Å; E229-Q233 PolarHBondContact O-N 2.98Å; E229-Y513 HydrophobicContact CB-CE1 4.03Å; E229-Y513 HydrophobicContact CB-CE2 4.23Å; E229-Y513 WeakPolarHBondContact CB-OH 3.24Å; E229-Y513 HydrophobicContact CG-CD2 4.17Å; E229-Y513 HydrophobicContact CG-CE1 4.09Å; E229-Y513 HydrophobicContact CG-CE2 3.59Å; E229-R602 IonicContact OE1-CZ 3.24Å; E229-R602 IonicContact OE1-NH1 2.76Å; E229-R602 PolarHBondContact OE1-NH1 2.86Å; E229-R602 IonicContact OE1-NH2 3.15Å; E229-R602 PolarHBondContact OE1-NH2 3.12Å; E229-R602 VanDerWaalsContact OE1-NH2 3.15Å; E229-R602 IonicContact OE2-CZ 3.67Å; E229-R602 IonicContact OE2-NH1 2.65Å; E229-R602 IonicContact OE2-NH2 2.86Å; E229-R602 PolarHBondContact OE2-NH2 3Å |
| 230 | I | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 177.2 | -62.4 | 158.7 | 0 | 0 | 0 | 111.5 | K207 D210 H211 C214 L226 E228 D232 Q233 Y234 T523 | K207-I230 HydrophobicContact CB-CG2 4.22Å; K207-I230 HydrophobicContact CD-CG2 4.33Å; K207-I230 VanDerWaalsContact O-CG2 3.25Å; K207-I230 WeakPolarHBondContact O-CG2 3.29Å; D210-I230 HydrophobicContact CB-CD1 4.37Å; H211-I230 HydrophobicContact CB-CB 4.48Å; H211-I230 HydrophobicContact CB-CG2 3.78Å; C214-I230 HydrophobicContact CB-CD1 4.17Å; L226-I230 HydrophobicContact CD1-CD1 4.39Å; L226-I230 HydrophobicContact CD1-CG1 4.34Å; L226-I230 HydrophobicContact CG-CD1 4.04Å; L226-I230 HydrophobicContact CG-CG1 4.49Å; L226-I230 WeakPolarHBondContact O-CD1 3.48Å; L226-I230 WeakPolarHBondContact O-CG1 3.26Å; L226-I230 PolarHBondContact O-N 2.66Å; E228-I230 PolarHBondContact O-N 3.12Å; I230-D232 VanDerWaalsContact C-N 3.31Å; I230-D232 PolarHBondContact O-N 3.19Å; I230-Q233 WeakPolarHBondContact O-CB 3.47Å; I230-Q233 PolarHBondContact O-N 3.13Å; I230-Y234 PolarHBondContact O-N 3.46Å; I230-T523 HydrophobicContact CD1-CG2 3.52Å; I230-T523 HydrophobicContact CG1-CG2 3.78Å |
| 231 | S | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 177 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | R227 E228 E229 K235 | R227-S231 WeakPolarHBondContact O-CB 3.44Å; R227-S231 PolarHBondContact O-N 3.29Å; R227-S231 PolarHBondContact O-OG 3.21Å; E228-S231 WeakPolarHBondContact O-CA 3.48Å; E228-S231 VanDerWaalsContact O-CB 3.32Å; E228-S231 WeakPolarHBondContact O-CB 3.12Å; E228-S231 PolarHBondContact O-N 3.28Å; E229-S231 VanDerWaalsContact C-N 3.29Å; E229-S231 PolarHBondContact O-N 3.46Å; S231-K235 WeakPolarHBondContact O-CG 3.11Å; S231-K235 PolarHBondContact O-N 3.42Å; S231-K235 VanDerWaalsContact O-N 3.16Å |
| 232 | D | 98.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -73.4 | -36.7 | 176.1 | -73.1 | -17.4 | 0 | 0 | 0 | 112.3 | E228 E229 I230 Y234 K235 A236 A515 | E228-D232 PolarHBondContact O-N 3.2Å; E229-D232 PolarHBondContact O-N 2.95Å; I230-D232 VanDerWaalsContact C-N 3.31Å; I230-D232 PolarHBondContact O-N 3.19Å; D232-Y234 PolarHBondContact O-N 2.86Å; D232-K235 PolarHBondContact O-N 2.86Å; D232-K235 IonicContact OD1-NZ 2.75Å; D232-K235 PolarHBondContact OD1-NZ 3.41Å; D232-A236 WeakPolarHBondContact O-CB 3.26Å; D232-A236 PolarHBondContact O-N 3.19Å; D232-A515 HydrophobicContact CB-CB 4.27Å |
| 233 | Q | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 169.9 | -70.5 | 170.8 | 19.8 | 0 | 0 | 111.7 | K207 E229 I230 K235 A236 L237 Y513 L518 A519 | K207-Q233 VanDerWaalsContact CE-OE1 3.24Å; E229-Q233 VanDerWaalsContact O-CG 3.24Å; E229-Q233 WeakPolarHBondContact O-CG 3.3Å; E229-Q233 PolarHBondContact O-N 2.98Å; I230-Q233 WeakPolarHBondContact O-CB 3.47Å; I230-Q233 PolarHBondContact O-N 3.13Å; Q233-K235 VanDerWaalsContact C-N 3.34Å; Q233-K235 PolarHBondContact O-N 2.69Å; Q233-A236 WeakPolarHBondContact O-CB 3.5Å; Q233-A236 PolarHBondContact O-N 2.69Å; Q233-A236 VanDerWaalsContact O-N 3.16Å; Q233-L237 WeakPolarHBondContact O-CG 3.12Å; Q233-L237 PolarHBondContact O-N 3Å; Q233-Y513 HydrophobicContact CG-CE1 4.28Å; Q233-Y513 PolarHBondContact NE2-OH 2.9Å; Q233-L518 HydrophobicContact CG-CB 4.4Å; Q233-A519 HydrophobicContact CB-CB 3.65Å; Q233-A519 HydrophobicContact CG-CB 4.04Å |
| 234 | Y | 98.7 | Very high | 98.1 | Very high | 75 Ų | 75 | 44.7 Ų | 44.7 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60 | -43.4 | 176 | 177.6 | -87.5 | 0 | 0 | 0 | 112.1 | M204 L208 I230 D232 A236 L237 K238 | M204-Y234 HydrophobicContact CB-CD2 4.06Å; M204-Y234 HydrophobicContact CB-CE2 3.76Å; M204-Y234 HydrophobicContact CE-CD1 4.26Å; M204-Y234 HydrophobicContact CE-CD2 4.1Å; M204-Y234 HydrophobicContact CE-CE1 3.65Å; M204-Y234 HydrophobicContact CE-CE2 3.48Å; M204-Y234 VanDerWaalsContact CE-CE2 3.48Å; M204-Y234 HydrophobicContact CE-CG 4.46Å; M204-Y234 WeakPolarHBondContact CE-OH 3.37Å; M204-Y234 HydrophobicContact CG-CD2 4.32Å; M204-Y234 HydrophobicContact CG-CE2 4.24Å; L208-Y234 HydrophobicContact CD1-CD2 4.46Å; L208-Y234 HydrophobicContact CD1-CE2 3.67Å; L208-Y234 HydrophobicContact CD2-CD2 3.93Å; L208-Y234 HydrophobicContact CD2-CE2 3.79Å; L208-Y234 HydrophobicContact CG-CD2 3.83Å; L208-Y234 HydrophobicContact CG-CE2 3.54Å; I230-Y234 PolarHBondContact O-N 3.46Å; D232-Y234 PolarHBondContact O-N 2.86Å; Y234-A236 VanDerWaalsContact C-N 3.33Å; Y234-L237 PolarHBondContact O-N 3.04Å; Y234-K238 PolarHBondContact O-N 2.73Å |
| 235 | K | 98.7 | Very high | 98.2 | Very high | 106 Ų | 106 | 43.6 Ų | 43.6 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -38 | 175.4 | -66.2 | 168.4 | -157.1 | 156.7 | 0 | 111.4 | S231 D232 Q233 K238 R239 | S231-K235 WeakPolarHBondContact O-CG 3.11Å; S231-K235 PolarHBondContact O-N 3.42Å; S231-K235 VanDerWaalsContact O-N 3.16Å; D232-K235 PolarHBondContact O-N 2.86Å; D232-K235 IonicContact OD1-NZ 2.75Å; D232-K235 PolarHBondContact OD1-NZ 3.41Å; Q233-K235 VanDerWaalsContact C-N 3.34Å; Q233-K235 PolarHBondContact O-N 2.69Å; K235-K238 WeakPolarHBondContact O-CB 3.41Å; K235-K238 PolarHBondContact O-N 3.04Å; K235-R239 PolarHBondContact O-N 3.29Å; K235-R239 VanDerWaalsContact O-N 3.08Å |
| 236 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D232 Q233 Y234 K238 R239 I240 A515 A516 | D232-A236 WeakPolarHBondContact O-CB 3.26Å; D232-A236 PolarHBondContact O-N 3.19Å; Q233-A236 WeakPolarHBondContact O-CB 3.5Å; Q233-A236 PolarHBondContact O-N 2.69Å; Q233-A236 VanDerWaalsContact O-N 3.16Å; Y234-A236 VanDerWaalsContact C-N 3.33Å; A236-K238 PolarHBondContact O-N 3Å; A236-R239 CarbonylContact O-C 3.54Å; A236-R239 WeakPolarHBondContact O-CA 3.29Å; A236-R239 WeakPolarHBondContact O-CB 3.19Å; A236-R239 PolarHBondContact O-N 2.84Å; A236-I240 WeakPolarHBondContact O-CG1 3.45Å; A236-I240 PolarHBondContact O-N 3.28Å; A236-A515 HydrophobicContact CB-CB 3.87Å; A236-A516 HydrophobicContact CB-CB 4.4Å |
| 237 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.3 | -42.4 | 174.9 | -69.6 | 172.4 | 0 | 0 | 0 | 112.4 | I200 L203 M204 K207 Q233 Y234 R239 I240 K241 A519 L520 | I200-L237 HydrophobicContact CD1-CD2 4.03Å; I200-L237 HydrophobicContact CG2-CB 4.17Å; I200-L237 WeakPolarHBondContact CG2-O 3.36Å; L203-L237 HydrophobicContact CB-CD1 4.01Å; L203-L237 HydrophobicContact CB-CD2 4.34Å; L203-L237 HydrophobicContact CD1-CD2 4.44Å; M204-L237 HydrophobicContact CB-CD1 4.49Å; M204-L237 HydrophobicContact CG-CB 3.56Å; M204-L237 HydrophobicContact CG-CD1 3.8Å; M204-L237 HydrophobicContact CG-CG 4.33Å; M204-L237 HydrophobicContact SD-CB 4.23Å; K207-L237 HydrophobicContact CG-CD1 4.03Å; Q233-L237 WeakPolarHBondContact O-CG 3.12Å; Q233-L237 PolarHBondContact O-N 3Å; Y234-L237 PolarHBondContact O-N 3.04Å; L237-R239 PolarHBondContact O-N 3.34Å; L237-I240 HydrophobicContact CD2-CD1 4.43Å; L237-I240 WeakPolarHBondContact O-CB 3.21Å; L237-I240 PolarHBondContact O-N 3.02Å; L237-K241 PolarHBondContact O-N 3.08Å; L237-A519 HydrophobicContact CD1-CB 4.37Å; L237-A519 HydrophobicContact CD2-CB 3.97Å; L237-A519 HydrophobicContact CG-CB 3.82Å; L237-L520 HydrophobicContact CD2-CD2 3.84Å |
| 238 | K | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 43.7 Ų | 43.7 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.7 | -173.8 | -178.9 | 174.9 | -169.9 | 0 | 112.3 | M204 Y234 K235 A236 I240 K241 E242 | M204-K238 HydrophobicContact CE-CB 4.02Å; M204-K238 HydrophobicContact SD-CB 4.41Å; Y234-K238 PolarHBondContact O-N 2.73Å; K235-K238 WeakPolarHBondContact O-CB 3.41Å; K235-K238 PolarHBondContact O-N 3.04Å; A236-K238 PolarHBondContact O-N 3Å; K238-I240 VanDerWaalsContact C-N 3.33Å; K238-I240 PolarHBondContact O-N 3.43Å; K238-K241 PolarHBondContact O-N 3.46Å; K238-E242 WeakPolarHBondContact CE-OE1 3.49Å; K238-E242 IonicContact NZ-OE1 4Å; K238-E242 WeakPolarHBondContact O-CG 3.36Å; K238-E242 PolarHBondContact O-N 3.12Å; K238-E242 VanDerWaalsContact O-N 3.07Å |
| 239 | R | 98.5 | Very high | 98.5 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 23% | 0.226 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -35.4 | 175.5 | -66.1 | -170.6 | -61.8 | -91.6 | 4.4 | 112.4 | A89 K235 A236 L237 K241 E242 M243 E275 | A89-R239 HydrophobicContact CB-CB 4.12Å; K235-R239 PolarHBondContact O-N 3.29Å; K235-R239 VanDerWaalsContact O-N 3.08Å; A236-R239 CarbonylContact O-C 3.54Å; A236-R239 WeakPolarHBondContact O-CA 3.29Å; A236-R239 WeakPolarHBondContact O-CB 3.19Å; A236-R239 PolarHBondContact O-N 2.84Å; L237-R239 PolarHBondContact O-N 3.34Å; R239-K241 VanDerWaalsContact C-N 3.31Å; R239-K241 PolarHBondContact O-N 3.33Å; R239-E242 PolarHBondContact O-N 2.78Å; R239-M243 WeakPolarHBondContact O-CB 3.36Å; R239-M243 PolarHBondContact O-N 3.01Å; R239-E275 IonicContact CZ-OE1 3.34Å; R239-E275 IonicContact CZ-OE2 3.86Å; R239-E275 IonicContact NE-OE1 2.74Å; R239-E275 PolarHBondContact NE-OE1 3.42Å; R239-E275 IonicContact NE-OE2 4Å; R239-E275 IonicContact NH2-OE1 3.1Å; R239-E275 PolarHBondContact NH2-OE1 3.43Å; R239-E275 VanDerWaalsContact NH2-OE1 3.1Å; R239-E275 IonicContact NH2-OE2 2.88Å; R239-E275 PolarHBondContact NH2-OE2 3.36Å |
| 240 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.5 | -49.5 | -170.8 | 0 | 0 | 0 | 110.1 | I200 A236 L237 K238 M243 A244 I251 A271 | I200-I240 HydrophobicContact CD1-CB 4.15Å; I200-I240 HydrophobicContact CD1-CG2 4.19Å; A236-I240 WeakPolarHBondContact O-CG1 3.45Å; A236-I240 PolarHBondContact O-N 3.28Å; L237-I240 HydrophobicContact CD2-CD1 4.43Å; L237-I240 WeakPolarHBondContact O-CB 3.21Å; L237-I240 PolarHBondContact O-N 3.02Å; K238-I240 VanDerWaalsContact C-N 3.33Å; K238-I240 PolarHBondContact O-N 3.43Å; I240-M243 HydrophobicContact CG2-CE 4.12Å; I240-M243 WeakPolarHBondContact O-CB 3.48Å; I240-M243 PolarHBondContact O-N 2.87Å; I240-A244 PolarHBondContact O-N 3.23Å; I240-I251 HydrophobicContact CG2-CD1 3.8Å; I240-A271 HydrophobicContact CB-CB 4.37Å; I240-A271 HydrophobicContact CD1-CB 3.79Å; I240-A271 HydrophobicContact CG1-CB 3.59Å; I240-A271 HydrophobicContact CG2-CB 4.22Å |
| 241 | K | 98.3 | Very high | 98.5 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.4 | -174.5 | 167.1 | 64.3 | 178.6 | 0 | 112.5 | I200 D201 L237 K238 R239 A244 A245 I251 | I200-K241 HydrophobicContact CB-CB 4.45Å; I200-K241 HydrophobicContact CG1-CB 4.47Å; I200-K241 HydrophobicContact CG2-CB 4.06Å; I200-K241 HydrophobicContact CG2-CD 4.45Å; D201-K241 IonicContact OD1-NZ 2.66Å; D201-K241 PolarHBondContact OD1-NZ 3.1Å; D201-K241 IonicContact OD2-NZ 3.81Å; L237-K241 PolarHBondContact O-N 3.08Å; K238-K241 PolarHBondContact O-N 3.46Å; R239-K241 VanDerWaalsContact C-N 3.31Å; R239-K241 PolarHBondContact O-N 3.33Å; K241-A244 PolarHBondContact O-N 3.48Å; K241-A245 WeakPolarHBondContact O-CB 3.13Å; K241-A245 PolarHBondContact O-N 2.56Å; K241-I251 HydrophobicContact CB-CG1 4.4Å; K241-I251 HydrophobicContact CG-CG1 4.42Å |
| 242 | E | 98.5 | Very high | 98.5 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64 | -40.5 | 175.9 | -69 | 168.9 | -176.7 | 0 | 0 | 112.1 | N90 K238 R239 A245 A246 | N90-E242 HydrophobicContact CB-CB 4.19Å; N90-E242 PolarHBondContact ND2-OE2 3.46Å; K238-E242 WeakPolarHBondContact CE-OE1 3.49Å; K238-E242 IonicContact NZ-OE1 4Å; K238-E242 WeakPolarHBondContact O-CG 3.36Å; K238-E242 PolarHBondContact O-N 3.12Å; K238-E242 VanDerWaalsContact O-N 3.07Å; R239-E242 PolarHBondContact O-N 2.78Å; E242-A245 PolarHBondContact O-N 3.47Å; E242-A246 PolarHBondContact O-N 3.15Å |
| 243 | M | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -50.4 | 175.2 | 178.1 | -173.5 | 69.4 | 0 | 0 | 111.6 | A89 R239 I240 A245 A246 F267 L270 A271 K274 | A89-M243 HydrophobicContact CB-SD 4.22Å; A89-M243 VanDerWaalsContact O-CB 3.32Å; A89-M243 WeakPolarHBondContact O-CB 3.29Å; A89-M243 WeakPolarHBondContact O-CG 3.4Å; R239-M243 WeakPolarHBondContact O-CB 3.36Å; R239-M243 PolarHBondContact O-N 3.01Å; I240-M243 HydrophobicContact CG2-CE 4.12Å; I240-M243 WeakPolarHBondContact O-CB 3.48Å; I240-M243 PolarHBondContact O-N 2.87Å; M243-A245 VanDerWaalsContact C-N 3.29Å; M243-A245 PolarHBondContact O-N 3.21Å; M243-A246 WeakPolarHBondContact O-CB 3.49Å; M243-A246 PolarHBondContact O-N 2.76Å; M243-F267 HydrophobicContact CE-CB 4.18Å; M243-F267 HydrophobicContact CE-CD1 4.03Å; M243-F267 HydrophobicContact CE-CG 4.5Å; M243-F267 WeakPolarHBondContact CE-O 3.1Å; M243-L270 HydrophobicContact CE-CB 4.06Å; M243-L270 HydrophobicContact CE-CD2 4.03Å; M243-L270 HydrophobicContact CE-CG 4.16Å; M243-L270 HydrophobicContact SD-CB 4.39Å; M243-L270 HydrophobicContact SD-CD2 3.79Å; M243-L270 HydrophobicContact SD-CG 3.87Å; M243-A271 HydrophobicContact CE-CB 3.95Å; M243-A271 HydrophobicContact SD-CB 4.46Å; M243-K274 HydrophobicContact SD-CD 3.54Å; M243-K274 VanDerWaalsContact SD-CD 3.54Å |
| 244 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -34.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I240 K241 A246 Y247 G248 F249 I251 F267 | I240-A244 PolarHBondContact O-N 3.23Å; K241-A244 PolarHBondContact O-N 3.48Å; A244-A246 PolarHBondContact O-N 3.24Å; A244-Y247 WeakPolarHBondContact O-CA 3.39Å; A244-Y247 WeakPolarHBondContact O-CB 3.35Å; A244-Y247 PolarHBondContact O-N 3.24Å; A244-G248 PolarHBondContact O-N 3.25Å; A244-F249 CarbonylContact C-O 3.6Å; A244-F249 HydrophobicContact CB-CB 4.36Å; A244-F249 PolarHBondContact O-N 3.24Å; A244-F249 VanDerWaalsContact O-N 3.11Å; A244-I251 HydrophobicContact CB-CB 4.42Å; A244-I251 HydrophobicContact CB-CD1 3.6Å; A244-I251 HydrophobicContact CB-CG1 3.77Å; A244-I251 HydrophobicContact CB-CG2 3.76Å; A244-F267 HydrophobicContact CB-CD1 4.33Å; A244-F267 HydrophobicContact CB-CD2 3.69Å; A244-F267 HydrophobicContact CB-CE1 4.43Å; A244-F267 HydrophobicContact CB-CE2 3.78Å; A244-F267 HydrophobicContact CB-CG 3.99Å; A244-F267 HydrophobicContact CB-CZ 4.17Å |
| 245 | A | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 50% | 0.504 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.3 | -31 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K241 E242 M243 Y247 G248 F249 | K241-A245 WeakPolarHBondContact O-CB 3.13Å; K241-A245 PolarHBondContact O-N 2.56Å; E242-A245 PolarHBondContact O-N 3.47Å; M243-A245 VanDerWaalsContact C-N 3.29Å; M243-A245 PolarHBondContact O-N 3.21Å; A245-Y247 PolarHBondContact O-N 2.69Å; A245-G248 PolarHBondContact O-N 2.95Å; A245-F249 WeakPolarHBondContact CA-O 3.45Å; A245-F249 PolarHBondContact N-O 2.9Å |
| 246 | A | 97.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -26.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A94 E242 M243 A244 | A94-A246 WeakPolarHBondContact CB-O 3.23Å; E242-A246 PolarHBondContact O-N 3.15Å; M243-A246 WeakPolarHBondContact O-CB 3.49Å; M243-A246 PolarHBondContact O-N 2.76Å; A244-A246 PolarHBondContact O-N 3.24Å |
| 247 | Y | 98.2 | Very high | 98.2 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 4 | 173.7 | -75.2 | -87.1 | 0 | 0 | 0 | 113.6 | A94 G95 Y96 V108 G109 I110 A244 A245 F249 F267 | A94-Y247 VanDerWaalsContact CA-CZ 3.49Å; A94-Y247 HydrophobicContact CB-CD1 3.6Å; A94-Y247 HydrophobicContact CB-CD2 4.15Å; A94-Y247 HydrophobicContact CB-CE1 3.58Å; A94-Y247 HydrophobicContact CB-CE2 4.13Å; A94-Y247 HydrophobicContact CB-CG 3.9Å; G95-Y247 PolarHBondContact N-OH 3.14Å; G95-Y247 VanDerWaalsContact O-CE1 3.24Å; G95-Y247 WeakPolarHBondContact O-CE1 3.48Å; G95-Y247 PolarHBondContact O-OH 2.94Å; Y96-Y247 HydrophobicContact CE1-CD1 4.25Å; Y96-Y247 HydrophobicContact CE1-CE1 4.35Å; V108-Y247 HydrophobicContact CB-CD1 3.9Å; V108-Y247 HydrophobicContact CB-CE1 4.22Å; V108-Y247 HydrophobicContact CG2-CD1 3.59Å; V108-Y247 HydrophobicContact CG2-CE1 4.34Å; V108-Y247 HydrophobicContact CG2-CG 4.09Å; G109-Y247 VanDerWaalsContact CA-CZ 3.47Å; G109-Y247 WeakPolarHBondContact CA-OH 3.36Å; I110-Y247 PolarHBondContact N-OH 3.3Å; I110-Y247 VanDerWaalsContact N-OH 3.1Å; A244-Y247 WeakPolarHBondContact O-CA 3.39Å; A244-Y247 WeakPolarHBondContact O-CB 3.35Å; A244-Y247 PolarHBondContact O-N 3.24Å; A245-Y247 PolarHBondContact O-N 2.69Å; Y247-F249 WeakPolarHBondContact O-CD2 3.13Å; Y247-F267 AromaticContact CD2-CE1 3.93Å; Y247-F267 HydrophobicContact CD2-CE1 3.93Å; Y247-F267 HydrophobicContact CD2-CZ 4.34Å; Y247-F267 HydrophobicContact CG-CE1 4.16Å; Y247-F267 HydrophobicContact CG-CZ 4.18Å |
| 248 | G | 97.9 | Very high | 98.2 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 73% | 0.732 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 15.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | A244 A245 | A244-G248 PolarHBondContact O-N 3.25Å; A245-G248 PolarHBondContact O-N 2.95Å |
| 249 | F | 98.5 | Very high | 98.2 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | trans | -105.4 | 131.9 | 179.7 | -69.9 | -90.4 | 0 | 0 | 0 | 112 | V108 A244 A245 Y247 I251 Q263 W264 F267 | V108-F249 HydrophobicContact CG2-CD2 4.3Å; V108-F249 HydrophobicContact CG2-CE2 3.53Å; V108-F249 HydrophobicContact CG2-CZ 4.29Å; A244-F249 CarbonylContact C-O 3.6Å; A244-F249 HydrophobicContact CB-CB 4.36Å; A244-F249 PolarHBondContact O-N 3.24Å; A244-F249 VanDerWaalsContact O-N 3.11Å; A245-F249 WeakPolarHBondContact CA-O 3.45Å; A245-F249 PolarHBondContact N-O 2.9Å; Y247-F249 WeakPolarHBondContact O-CD2 3.13Å; F249-I251 HydrophobicContact CB-CG2 4.21Å; F249-Q263 HydrophobicContact CD1-CG 4.16Å; F249-Q263 HydrophobicContact CE1-CG 3.86Å; F249-Q263 HydrophobicContact CE2-CG 4.33Å; F249-Q263 HydrophobicContact CG-CG 4.48Å; F249-Q263 HydrophobicContact CZ-CG 3.94Å; F249-W264 HydrophobicContact CD1-CE3 4.38Å; F249-W264 AromaticContact CD1-CH2 3.59Å; F249-W264 HydrophobicContact CD1-CH2 3.59Å; F249-W264 AromaticContact CD1-CZ3 3.34Å; F249-W264 HydrophobicContact CD1-CZ3 3.34Å; F249-W264 HydrophobicContact CE1-CH2 4.3Å; F249-W264 AromaticContact CE1-CZ3 3.8Å; F249-W264 HydrophobicContact CE1-CZ3 3.8Å; F249-W264 HydrophobicContact CG-CZ3 4.3Å; F249-F267 HydrophobicContact CB-CE2 3.74Å; F249-F267 HydrophobicContact CB-CZ 4.37Å; F249-F267 HydrophobicContact CD1-CE2 4.42Å; F249-F267 AromaticContact CD2-CE2 3.72Å; F249-F267 HydrophobicContact CD2-CE2 3.72Å; F249-F267 AromaticContact CD2-CZ 3.72Å; F249-F267 HydrophobicContact CD2-CZ 3.72Å; F249-F267 HydrophobicContact CE2-CE2 4.44Å; F249-F267 HydrophobicContact CE2-CZ 4.31Å; F249-F267 AromaticContact CG-CE2 3.7Å; F249-F267 HydrophobicContact CG-CE2 3.7Å; F249-F267 HydrophobicContact CG-CZ 4.18Å | ||
| 250 | D | 98.1 | Very high | 98.2 | Very high | 97 Ų | 97 | 38.3 Ų | 38.3 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | trans | -98.2 | 96.4 | 168.5 | -177 | 3.3 | 0 | 0 | 0 | 110.2 | S252 | D250-S252 VanDerWaalsContact C-N 3.33Å; D250-S252 VanDerWaalsContact CG-OG 3.28Å; D250-S252 WeakPolarHBondContact OD1-CB 2.81Å; D250-S252 PolarHBondContact OD1-N 3.16Å; D250-S252 PolarHBondContact OD1-OG 2.73Å; D250-S252 PolarHBondContact OD2-OG 2.71Å | ||
| 251 | I | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 15 | 179 | 69 | 167.6 | 0 | 0 | 0 | 113.2 | V195 I200 I240 K241 A244 F249 R253 W264 F267 | V195-I251 HydrophobicContact CG1-CD1 4.15Å; I200-I251 HydrophobicContact CD1-CD1 4.18Å; I200-I251 HydrophobicContact CG1-CD1 3.54Å; I200-I251 HydrophobicContact CG1-CG1 3.72Å; I200-I251 PolarHBondContact N-O 3.05Å; I240-I251 HydrophobicContact CG2-CD1 3.8Å; K241-I251 HydrophobicContact CB-CG1 4.4Å; K241-I251 HydrophobicContact CG-CG1 4.42Å; A244-I251 HydrophobicContact CB-CB 4.42Å; A244-I251 HydrophobicContact CB-CD1 3.6Å; A244-I251 HydrophobicContact CB-CG1 3.77Å; A244-I251 HydrophobicContact CB-CG2 3.76Å; F249-I251 HydrophobicContact CB-CG2 4.21Å; I251-R253 PolarHBondContact O-N 3.08Å; I251-W264 HydrophobicContact CB-CD2 4.45Å; I251-W264 HydrophobicContact CB-CG 4.4Å; I251-W264 HydrophobicContact CG2-CD2 3.7Å; I251-W264 HydrophobicContact CG2-CE3 4.19Å; I251-W264 HydrophobicContact CG2-CG 4.01Å; I251-W264 HydrophobicContact CG2-CZ2 4.02Å; I251-F267 HydrophobicContact CG2-CD2 4.01Å; I251-F267 HydrophobicContact CG2-CE2 4.46Å |
| 252 | S | 98 | Very high | 98.2 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -35.2 | 172.2 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | I200 D201 D250 | I200-S252 PolarHBondContact N-O 2.97Å; D201-S252 WeakPolarHBondContact CB-O 3.48Å; D201-S252 PolarHBondContact N-O 2.54Å; D201-S252 VanDerWaalsContact N-O 3.09Å; D250-S252 VanDerWaalsContact C-N 3.33Å; D250-S252 VanDerWaalsContact CG-OG 3.28Å; D250-S252 WeakPolarHBondContact OD1-CB 2.81Å; D250-S252 PolarHBondContact OD1-N 3.16Å; D250-S252 PolarHBondContact OD1-OG 2.73Å; D250-S252 PolarHBondContact OD2-OG 2.71Å |
| 253 | R | 96.7 | Very high | 98.2 | Very high | 53 Ų | 53 | 31.8 Ų | 31.8 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -96.1 | 159.7 | 179.4 | 64 | 159.7 | 178.2 | 80.3 | -5.1 | 113.3 | T14 G199 I251 E256 E260 W264 | T14-R253 HydrophobicContact CG2-CB 3.82Å; T14-R253 HydrophobicContact CG2-CG 4.42Å; G199-R253 VanDerWaalsContact CA-C 3.44Å; G199-R253 WeakPolarHBondContact CA-O 3.32Å; I251-R253 PolarHBondContact O-N 3.08Å; R253-E256 IonicContact CZ-OE1 3.54Å; R253-E256 IonicContact NE-OE1 3.45Å; R253-E256 PolarHBondContact NE-OE1 2.8Å; R253-E256 IonicContact NH1-OE1 3.74Å; R253-E260 IonicContact CZ-OE1 3.62Å; R253-E260 IonicContact CZ-OE2 3.47Å; R253-E260 IonicContact NH1-OE1 3.62Å; R253-E260 IonicContact NH1-OE2 2.7Å; R253-E260 PolarHBondContact NH1-OE2 3.06Å; R253-E260 IonicContact NH2-OE1 2.72Å; R253-E260 PolarHBondContact NH2-OE1 2.91Å; R253-E260 IonicContact NH2-OE2 3.34Å; R253-E260 PolarHBondContact NH2-OE2 3.45Å; R253-W264 PolarHBondContact O-NE1 2.89Å; R253-W264 VanDerWaalsContact O-NE1 3.08Å |
| 254 | P | 98.1 | Very high | 98.2 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 156.9 | 168.6 | 26.4 | -36.4 | 0 | 0 | 0 | 112.2 | A18 L197 Y198 | A18-P254 HydrophobicContact CB-CB 3.99Å; A18-P254 HydrophobicContact CB-CG 3.62Å; L197-P254 VanDerWaalsContact O-CB 3.29Å; L197-P254 WeakPolarHBondContact O-CB 3.41Å; Y198-P254 WeakPolarHBondContact O-CD 3.14Å |
| 255 | A | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 132.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A196 E260 A261 W264 Y293 | A196-A255 HydrophobicContact CB-CB 4.24Å; A196-A255 WeakPolarHBondContact O-CB 3.47Å; A196-A255 PolarHBondContact O-N 3.3Å; A255-E260 HydrophobicContact CB-CB 3.72Å; A255-A261 HydrophobicContact CB-CB 4.13Å; A255-W264 HydrophobicContact CB-CD2 4.47Å; A255-W264 HydrophobicContact CB-CG 4.24Å; A255-Y293 HydrophobicContact CB-CE1 4.45Å |
| 256 | E | 97 | Very high | 98.3 | Very high | 73 Ų | 73 | 29 Ų | 29 | 34% | 0.341 | 17% | 0.166 | S | C | . | . | trans | -97.5 | -16.5 | -175.2 | -73.1 | 175.3 | -172.4 | 0 | 0 | 113.2 | A18 R253 E260 R296 | A18-E256 HydrophobicContact CB-CG 3.8Å; R253-E256 IonicContact CZ-OE1 3.54Å; R253-E256 IonicContact NE-OE1 3.45Å; R253-E256 PolarHBondContact NE-OE1 2.8Å; R253-E256 IonicContact NH1-OE1 3.74Å; E256-E260 WeakPolarHBondContact CB-OE2 3.38Å; E256-E260 PolarHBondContact N-OE2 3.18Å; E256-R296 PolarHBondContact O-NH2 2.75Å | ||
| 257 | N | 97.3 | Very high | 98.3 | Very high | 50 Ų | 50 | 26.6 Ų | 26.6 | 27% | 0.267 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -149.6 | 175.2 | -176.3 | 62.8 | 62.6 | 0 | 0 | 0 | 111.5 | K259 E260 A261 D297 | N257-K259 WeakPolarHBondContact OD1-CB 3.44Å; N257-K259 PolarHBondContact OD1-N 3.17Å; N257-K259 VanDerWaalsContact OD1-N 3.13Å; N257-E260 PolarHBondContact O-N 2.75Å; N257-E260 WeakPolarHBondContact OD1-CG 3.4Å; N257-E260 PolarHBondContact OD1-N 2.77Å; N257-A261 WeakPolarHBondContact O-CB 3.49Å; N257-A261 PolarHBondContact O-N 3.41Å; N257-D297 WeakPolarHBondContact CA-OD2 3.26Å; N257-D297 VanDerWaalsContact CB-OD2 3.25Å; N257-D297 WeakPolarHBondContact CB-OD2 3.33Å |
| 258 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E260 A261 V262 I294 D297 L303 L311 | A258-E260 VanDerWaalsContact C-N 3.3Å; A258-E260 PolarHBondContact O-N 2.98Å; A258-A261 PolarHBondContact O-N 2.79Å; A258-V262 WeakPolarHBondContact O-CG2 3.1Å; A258-V262 PolarHBondContact O-N 2.91Å; A258-I294 HydrophobicContact CB-CG1 3.87Å; A258-D297 HydrophobicContact CB-CB 4.35Å; A258-D297 WeakPolarHBondContact CB-OD2 3.26Å; A258-D297 PolarHBondContact N-OD2 3.4Å; A258-L303 HydrophobicContact CB-CD2 3.87Å; A258-L311 HydrophobicContact CB-CD1 4.13Å |
| 259 | K | 98.6 | Very high | 98.4 | Very high | 92 Ų | 92 | 22.5 Ų | 22.5 | 40% | 0.4 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 178.1 | 177.1 | 171.6 | 177.6 | 162.1 | 0 | 110.8 | A106 N257 Q263 L311 | A106-K259 WeakPolarHBondContact O-CE 3.32Å; N257-K259 WeakPolarHBondContact OD1-CB 3.44Å; N257-K259 PolarHBondContact OD1-N 3.17Å; N257-K259 VanDerWaalsContact OD1-N 3.13Å; K259-Q263 WeakPolarHBondContact O-CB 3.44Å; K259-Q263 PolarHBondContact O-N 3.26Å; K259-L311 HydrophobicContact CB-CD1 4.4Å; K259-L311 HydrophobicContact CB-CD2 3.94Å; K259-L311 HydrophobicContact CG-CD2 3.97Å |
| 260 | E | 98.7 | Very high | 98.4 | Very high | 27 Ų | 27 | 20.4 Ų | 20.4 | 13% | 0.126 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 176.4 | -64.9 | -172.6 | 168.4 | 0 | 0 | 112.5 | R253 A255 E256 N257 A258 V262 Q263 W264 | R253-E260 IonicContact CZ-OE1 3.62Å; R253-E260 IonicContact CZ-OE2 3.47Å; R253-E260 IonicContact NH1-OE1 3.62Å; R253-E260 IonicContact NH1-OE2 2.7Å; R253-E260 PolarHBondContact NH1-OE2 3.06Å; R253-E260 IonicContact NH2-OE1 2.72Å; R253-E260 PolarHBondContact NH2-OE1 2.91Å; R253-E260 IonicContact NH2-OE2 3.34Å; R253-E260 PolarHBondContact NH2-OE2 3.45Å; A255-E260 HydrophobicContact CB-CB 3.72Å; E256-E260 WeakPolarHBondContact CB-OE2 3.38Å; E256-E260 PolarHBondContact N-OE2 3.18Å; N257-E260 PolarHBondContact O-N 2.75Å; N257-E260 WeakPolarHBondContact OD1-CG 3.4Å; N257-E260 PolarHBondContact OD1-N 2.77Å; A258-E260 VanDerWaalsContact C-N 3.3Å; A258-E260 PolarHBondContact O-N 2.98Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.05Å; E260-Q263 PolarHBondContact O-N 3.19Å; E260-W264 HydrophobicContact CB-CD2 4.12Å; E260-W264 HydrophobicContact CB-CE3 3.72Å; E260-W264 HydrophobicContact CB-CH2 3.74Å; E260-W264 HydrophobicContact CB-CZ2 4.16Å; E260-W264 HydrophobicContact CB-CZ3 3.5Å; E260-W264 VanDerWaalsContact CD-CH2 3.49Å; E260-W264 HydrophobicContact CG-CE3 4.21Å; E260-W264 HydrophobicContact CG-CH2 3.38Å; E260-W264 HydrophobicContact CG-CZ2 4.1Å; E260-W264 HydrophobicContact CG-CZ3 3.46Å; E260-W264 VanDerWaalsContact CG-CZ3 3.46Å; E260-W264 VanDerWaalsContact O-CB 3.24Å; E260-W264 WeakPolarHBondContact O-CB 3.38Å; E260-W264 VanDerWaalsContact O-CD2 3.3Å; E260-W264 PolarHBondContact O-N 3.41Å |
| 261 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A196 A255 N257 A258 T265 L290 Y293 | A196-A261 HydrophobicContact CB-CB 4.38Å; A196-A261 WeakPolarHBondContact CB-O 3.44Å; A255-A261 HydrophobicContact CB-CB 4.13Å; N257-A261 WeakPolarHBondContact O-CB 3.49Å; N257-A261 PolarHBondContact O-N 3.41Å; A258-A261 PolarHBondContact O-N 2.79Å; A261-T265 VanDerWaalsContact O-CB 3.31Å; A261-T265 WeakPolarHBondContact O-CB 3.24Å; A261-T265 PolarHBondContact O-N 2.87Å; A261-T265 PolarHBondContact O-OG1 3.39Å; A261-L290 HydrophobicContact CB-CD2 4.28Å; A261-Y293 HydrophobicContact CB-CD1 3.7Å; A261-Y293 HydrophobicContact CB-CD2 3.62Å; A261-Y293 HydrophobicContact CB-CE1 4.1Å; A261-Y293 HydrophobicContact CB-CE2 4.05Å; A261-Y293 HydrophobicContact CB-CG 3.43Å; A261-Y293 VanDerWaalsContact CB-CG 3.43Å |
| 262 | V | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | I107 A258 E260 W264 T265 Y266 L290 L311 L315 | I107-V262 HydrophobicContact CD1-CB 3.76Å; I107-V262 HydrophobicContact CD1-CG1 3.41Å; I107-V262 VanDerWaalsContact CD1-CG1 3.41Å; I107-V262 HydrophobicContact CG1-CG1 3.75Å; A258-V262 WeakPolarHBondContact O-CG2 3.1Å; A258-V262 PolarHBondContact O-N 2.91Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.05Å; V262-W264 PolarHBondContact O-N 3.35Å; V262-T265 PolarHBondContact O-N 2.95Å; V262-Y266 WeakPolarHBondContact O-CB 3.34Å; V262-Y266 PolarHBondContact O-N 3.05Å; V262-L290 HydrophobicContact CB-CD2 4.47Å; V262-L290 HydrophobicContact CG2-CD1 4.28Å; V262-L290 HydrophobicContact CG2-CD2 3.99Å; V262-L311 HydrophobicContact CG2-CB 4.38Å; V262-L315 HydrophobicContact CG1-CB 3.86Å; V262-L315 HydrophobicContact CG1-CD2 4.04Å; V262-L315 HydrophobicContact CG1-CG 4.35Å |
| 263 | Q | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | -177 | -179.8 | 66.8 | 72.8 | 0 | 0 | 113.3 | I107 V108 F249 K259 E260 Y266 F267 | I107-Q263 HydrophobicContact CD1-CB 4.04Å; V108-Q263 PolarHBondContact O-NE2 2.99Å; F249-Q263 HydrophobicContact CD1-CG 4.16Å; F249-Q263 HydrophobicContact CE1-CG 3.86Å; F249-Q263 HydrophobicContact CE2-CG 4.33Å; F249-Q263 HydrophobicContact CG-CG 4.48Å; F249-Q263 HydrophobicContact CZ-CG 3.94Å; K259-Q263 WeakPolarHBondContact O-CB 3.44Å; K259-Q263 PolarHBondContact O-N 3.26Å; E260-Q263 PolarHBondContact O-N 3.19Å; Q263-Y266 PolarHBondContact O-N 3.29Å; Q263-F267 HydrophobicContact CG-CD2 3.89Å; Q263-F267 HydrophobicContact CG-CE2 3.46Å; Q263-F267 VanDerWaalsContact CG-CE2 3.46Å; Q263-F267 HydrophobicContact CG-CZ 4.09Å; Q263-F267 VanDerWaalsContact NE2-CE2 3.31Å; Q263-F267 VanDerWaalsContact O-CD2 3.3Å; Q263-F267 WeakPolarHBondContact O-CD2 3.23Å; Q263-F267 WeakPolarHBondContact O-CG 3.46Å; Q263-F267 PolarHBondContact O-N 3.32Å |
| 264 | W | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -70.9 | -42.6 | -179.1 | -85.1 | -135.8 | 0 | 0 | 0 | 109.7 | V195 A196 F249 I251 R253 A255 E260 V262 Y266 F267 G268 | V195-W264 HydrophobicContact CG1-CB 4.07Å; V195-W264 HydrophobicContact CG1-CG 4.48Å; V195-W264 WeakPolarHBondContact CG1-O 3.41Å; A196-W264 HydrophobicContact CB-CB 3.85Å; F249-W264 HydrophobicContact CD1-CE3 4.38Å; F249-W264 AromaticContact CD1-CH2 3.59Å; F249-W264 HydrophobicContact CD1-CH2 3.59Å; F249-W264 AromaticContact CD1-CZ3 3.34Å; F249-W264 HydrophobicContact CD1-CZ3 3.34Å; F249-W264 HydrophobicContact CE1-CH2 4.3Å; F249-W264 AromaticContact CE1-CZ3 3.8Å; F249-W264 HydrophobicContact CE1-CZ3 3.8Å; F249-W264 HydrophobicContact CG-CZ3 4.3Å; I251-W264 HydrophobicContact CB-CD2 4.45Å; I251-W264 HydrophobicContact CB-CG 4.4Å; I251-W264 HydrophobicContact CG2-CD2 3.7Å; I251-W264 HydrophobicContact CG2-CE3 4.19Å; I251-W264 HydrophobicContact CG2-CG 4.01Å; I251-W264 HydrophobicContact CG2-CZ2 4.02Å; R253-W264 PolarHBondContact O-NE1 2.89Å; R253-W264 VanDerWaalsContact O-NE1 3.08Å; A255-W264 HydrophobicContact CB-CD2 4.47Å; A255-W264 HydrophobicContact CB-CG 4.24Å; E260-W264 HydrophobicContact CB-CD2 4.12Å; E260-W264 HydrophobicContact CB-CE3 3.72Å; E260-W264 HydrophobicContact CB-CH2 3.74Å; E260-W264 HydrophobicContact CB-CZ2 4.16Å; E260-W264 HydrophobicContact CB-CZ3 3.5Å; E260-W264 VanDerWaalsContact CD-CH2 3.49Å; E260-W264 HydrophobicContact CG-CE3 4.21Å; E260-W264 HydrophobicContact CG-CH2 3.38Å; E260-W264 HydrophobicContact CG-CZ2 4.1Å; E260-W264 HydrophobicContact CG-CZ3 3.46Å; E260-W264 VanDerWaalsContact CG-CZ3 3.46Å; E260-W264 VanDerWaalsContact O-CB 3.24Å; E260-W264 WeakPolarHBondContact O-CB 3.38Å; E260-W264 VanDerWaalsContact O-CD2 3.3Å; E260-W264 PolarHBondContact O-N 3.41Å; V262-W264 PolarHBondContact O-N 3.35Å; W264-Y266 VanDerWaalsContact C-N 3.31Å; W264-Y266 PolarHBondContact O-N 3.3Å; W264-F267 PolarHBondContact O-N 3.47Å; W264-G268 PolarHBondContact O-N 3.3Å |
| 265 | T | 99 | Very high | 98.5 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.006 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.1 | -57.4 | 0 | 0 | 0 | 0 | 110 | Y192 A196 A261 V262 F267 G268 Y269 V286 | Y192-T265 WeakPolarHBondContact CB-O 3.35Å; A196-T265 WeakPolarHBondContact CB-OG1 3.2Å; A261-T265 VanDerWaalsContact O-CB 3.31Å; A261-T265 WeakPolarHBondContact O-CB 3.24Å; A261-T265 PolarHBondContact O-N 2.87Å; A261-T265 PolarHBondContact O-OG1 3.39Å; V262-T265 PolarHBondContact O-N 2.95Å; T265-F267 PolarHBondContact O-N 2.63Å; T265-G268 PolarHBondContact O-N 3.06Å; T265-Y269 PolarHBondContact O-N 3.42Å; T265-V286 HydrophobicContact CG2-CB 4.42Å; T265-V286 HydrophobicContact CG2-CG1 3.88Å |
| 266 | Y | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.8 | -177.7 | -119.9 | 0 | 0 | 0 | 112.8 | I107 V108 G109 V262 Q263 W264 G268 Y269 L270 L315 K318 L319 | I107-Y266 HydrophobicContact CG2-CD1 3.96Å; I107-Y266 HydrophobicContact CG2-CG 4.34Å; V108-Y266 WeakPolarHBondContact O-CD1 3.4Å; V108-Y266 WeakPolarHBondContact O-CE1 3.48Å; G109-Y266 WeakPolarHBondContact O-CE1 3.46Å; G109-Y266 PolarHBondContact O-OH 3.5Å; V262-Y266 WeakPolarHBondContact O-CB 3.34Å; V262-Y266 PolarHBondContact O-N 3.05Å; Q263-Y266 PolarHBondContact O-N 3.29Å; W264-Y266 VanDerWaalsContact C-N 3.31Å; W264-Y266 PolarHBondContact O-N 3.3Å; Y266-G268 VanDerWaalsContact C-N 3.31Å; Y266-G268 PolarHBondContact O-N 3.26Å; Y266-Y269 HydrophobicContact CD2-CD1 4.18Å; Y266-Y269 HydrophobicContact CE2-CD1 4.04Å; Y266-Y269 CarbonylContact O-C 3.49Å; Y266-Y269 PolarHBondContact O-N 2.76Å; Y266-Y269 VanDerWaalsContact O-N 3.16Å; Y266-L270 HydrophobicContact CE1-CB 4.43Å; Y266-L270 HydrophobicContact CE1-CD2 4.45Å; Y266-L270 VanDerWaalsContact O-CB 3.3Å; Y266-L270 WeakPolarHBondContact O-CB 3.47Å; Y266-L270 PolarHBondContact O-N 3.13Å; Y266-L315 HydrophobicContact CD2-CD1 3.84Å; Y266-L315 HydrophobicContact CG-CD1 4.04Å; Y266-K318 HydrophobicContact CE1-CB 3.97Å; Y266-K318 HydrophobicContact CE1-CG 3.92Å; Y266-K318 HydrophobicContact CE2-CB 3.78Å; Y266-K318 VanDerWaalsContact CZ-CB 3.48Å; Y266-K318 WeakPolarHBondContact OH-CB 3.36Å; Y266-L319 HydrophobicContact CD2-CD2 4.4Å; Y266-L319 HydrophobicContact CE2-CD2 4.24Å |
| 267 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64 | -34.4 | 175 | -77.1 | -44.6 | 0 | 0 | 0 | 113.1 | V108 M243 A244 Y247 F249 I251 Q263 W264 T265 L270 A271 | V108-F267 HydrophobicContact CG2-CZ 4.24Å; M243-F267 HydrophobicContact CE-CB 4.18Å; M243-F267 HydrophobicContact CE-CD1 4.03Å; M243-F267 HydrophobicContact CE-CG 4.5Å; M243-F267 WeakPolarHBondContact CE-O 3.1Å; A244-F267 HydrophobicContact CB-CD1 4.33Å; A244-F267 HydrophobicContact CB-CD2 3.69Å; A244-F267 HydrophobicContact CB-CE1 4.43Å; A244-F267 HydrophobicContact CB-CE2 3.78Å; A244-F267 HydrophobicContact CB-CG 3.99Å; A244-F267 HydrophobicContact CB-CZ 4.17Å; Y247-F267 AromaticContact CD2-CE1 3.93Å; Y247-F267 HydrophobicContact CD2-CE1 3.93Å; Y247-F267 HydrophobicContact CD2-CZ 4.34Å; Y247-F267 HydrophobicContact CG-CE1 4.16Å; Y247-F267 HydrophobicContact CG-CZ 4.18Å; F249-F267 HydrophobicContact CB-CE2 3.74Å; F249-F267 HydrophobicContact CB-CZ 4.37Å; F249-F267 HydrophobicContact CD1-CE2 4.42Å; F249-F267 AromaticContact CD2-CE2 3.72Å; F249-F267 HydrophobicContact CD2-CE2 3.72Å; F249-F267 AromaticContact CD2-CZ 3.72Å; F249-F267 HydrophobicContact CD2-CZ 3.72Å; F249-F267 HydrophobicContact CE2-CE2 4.44Å; F249-F267 HydrophobicContact CE2-CZ 4.31Å; F249-F267 AromaticContact CG-CE2 3.7Å; F249-F267 HydrophobicContact CG-CE2 3.7Å; F249-F267 HydrophobicContact CG-CZ 4.18Å; I251-F267 HydrophobicContact CG2-CD2 4.01Å; I251-F267 HydrophobicContact CG2-CE2 4.46Å; Q263-F267 HydrophobicContact CG-CD2 3.89Å; Q263-F267 HydrophobicContact CG-CE2 3.46Å; Q263-F267 VanDerWaalsContact CG-CE2 3.46Å; Q263-F267 HydrophobicContact CG-CZ 4.09Å; Q263-F267 VanDerWaalsContact NE2-CE2 3.31Å; Q263-F267 VanDerWaalsContact O-CD2 3.3Å; Q263-F267 WeakPolarHBondContact O-CD2 3.23Å; Q263-F267 WeakPolarHBondContact O-CG 3.46Å; Q263-F267 PolarHBondContact O-N 3.32Å; W264-F267 PolarHBondContact O-N 3.47Å; T265-F267 PolarHBondContact O-N 2.63Å; F267-L270 HydrophobicContact CD1-CD2 4.03Å; F267-L270 HydrophobicContact CE1-CD2 4.33Å; F267-L270 PolarHBondContact O-N 3.44Å; F267-A271 PolarHBondContact O-N 3.08Å; F267-A271 VanDerWaalsContact O-N 3.14Å |
| 268 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58 | -49.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W264 T265 Y266 A271 A272 | W264-G268 PolarHBondContact O-N 3.3Å; T265-G268 PolarHBondContact O-N 3.06Å; Y266-G268 VanDerWaalsContact C-N 3.31Å; Y266-G268 PolarHBondContact O-N 3.26Å; G268-A271 PolarHBondContact O-N 2.96Å; G268-A272 PolarHBondContact O-N 3.34Å |
| 269 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.8 | -39 | 178.5 | 179.1 | -109.2 | 0 | 0 | 0 | 112.9 | Y192 T265 Y266 A271 A272 I273 M281 I283 L319 V322 | Y192-Y269 HydrophobicContact CD2-CD2 4.23Å; Y192-Y269 HydrophobicContact CE1-CD2 4.38Å; Y192-Y269 AromaticContact CE2-CD2 3.69Å; Y192-Y269 HydrophobicContact CE2-CD2 3.69Å; Y192-Y269 HydrophobicContact CE2-CG 4.49Å; Y192-Y269 AromaticContact CZ-CD2 3.77Å; T265-Y269 PolarHBondContact O-N 3.42Å; Y266-Y269 HydrophobicContact CD2-CD1 4.18Å; Y266-Y269 HydrophobicContact CE2-CD1 4.04Å; Y266-Y269 CarbonylContact O-C 3.49Å; Y266-Y269 PolarHBondContact O-N 2.76Å; Y266-Y269 VanDerWaalsContact O-N 3.16Å; Y269-A271 VanDerWaalsContact C-N 3.27Å; Y269-A271 PolarHBondContact O-N 3.49Å; Y269-A272 VanDerWaalsContact O-CB 3.31Å; Y269-A272 WeakPolarHBondContact O-CB 3.33Å; Y269-A272 PolarHBondContact O-N 3.15Å; Y269-I273 HydrophobicContact CD1-CD1 4.32Å; Y269-I273 HydrophobicContact CD2-CG2 4.47Å; Y269-I273 HydrophobicContact CE1-CD1 3.94Å; Y269-I273 HydrophobicContact CE1-CG2 3.94Å; Y269-I273 HydrophobicContact CE2-CG2 3.84Å; Y269-I273 PolarHBondContact O-N 2.78Å; Y269-I273 VanDerWaalsContact O-N 3.08Å; Y269-M281 VanDerWaalsContact CE2-O 3.31Å; Y269-M281 WeakPolarHBondContact CE2-O 3.28Å; Y269-M281 PolarHBondContact OH-O 3.03Å; Y269-I283 HydrophobicContact CD2-CB 4.19Å; Y269-I283 HydrophobicContact CD2-CG1 4.2Å; Y269-I283 HydrophobicContact CE2-CB 4.23Å; Y269-I283 HydrophobicContact CG-CD1 4.44Å; Y269-I283 HydrophobicContact CG-CG1 4.17Å; Y269-L319 HydrophobicContact CD1-CD2 3.71Å; Y269-L319 HydrophobicContact CE1-CD2 3.43Å; Y269-L319 VanDerWaalsContact CE1-CD2 3.43Å; Y269-V322 HydrophobicContact CE1-CG2 4.18Å |
| 270 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 178.8 | -178 | 67.2 | 0 | 0 | 0 | 111.3 | M243 Y266 F267 A272 I273 K274 | M243-L270 HydrophobicContact CE-CB 4.06Å; M243-L270 HydrophobicContact CE-CD2 4.03Å; M243-L270 HydrophobicContact CE-CG 4.16Å; M243-L270 HydrophobicContact SD-CB 4.39Å; M243-L270 HydrophobicContact SD-CD2 3.79Å; M243-L270 HydrophobicContact SD-CG 3.87Å; Y266-L270 HydrophobicContact CE1-CB 4.43Å; Y266-L270 HydrophobicContact CE1-CD2 4.45Å; Y266-L270 VanDerWaalsContact O-CB 3.3Å; Y266-L270 WeakPolarHBondContact O-CB 3.47Å; Y266-L270 PolarHBondContact O-N 3.13Å; F267-L270 HydrophobicContact CD1-CD2 4.03Å; F267-L270 HydrophobicContact CE1-CD2 4.33Å; F267-L270 PolarHBondContact O-N 3.44Å; L270-A272 VanDerWaalsContact C-N 3.35Å; L270-I273 HydrophobicContact CD1-CD1 4.15Å; L270-I273 HydrophobicContact CD1-CG1 4.3Å; L270-I273 WeakPolarHBondContact O-CG1 3.31Å; L270-K274 HydrophobicContact CD1-CD 4.44Å; L270-K274 HydrophobicContact CD1-CG 4.44Å; L270-K274 HydrophobicContact CG-CD 4.11Å; L270-K274 HydrophobicContact CG-CG 4.49Å; L270-K274 WeakPolarHBondContact O-CB 3.3Å; L270-K274 VanDerWaalsContact O-CG 3.27Å; L270-K274 WeakPolarHBondContact O-CG 3.46Å; L270-K274 PolarHBondContact O-N 3.49Å |
| 271 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A89 I240 M243 F267 G268 Y269 K274 E275 A516 | A89-A271 HydrophobicContact CB-CB 3.93Å; I240-A271 HydrophobicContact CB-CB 4.37Å; I240-A271 HydrophobicContact CD1-CB 3.79Å; I240-A271 HydrophobicContact CG1-CB 3.59Å; I240-A271 HydrophobicContact CG2-CB 4.22Å; M243-A271 HydrophobicContact CE-CB 3.95Å; M243-A271 HydrophobicContact SD-CB 4.46Å; F267-A271 PolarHBondContact O-N 3.08Å; F267-A271 VanDerWaalsContact O-N 3.14Å; G268-A271 PolarHBondContact O-N 2.96Å; Y269-A271 VanDerWaalsContact C-N 3.27Å; Y269-A271 PolarHBondContact O-N 3.49Å; A271-K274 PolarHBondContact O-N 2.78Å; A271-E275 WeakPolarHBondContact O-CG 3.33Å; A271-E275 PolarHBondContact O-N 3.11Å; A271-E275 VanDerWaalsContact O-N 3.07Å; A271-A516 HydrophobicContact CB-CB 4.32Å |
| 272 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -58.9 | -53.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y192 G268 Y269 L270 K274 E275 Q276 M281 E517 | Y192-A272 HydrophobicContact CE1-CB 4.05Å; G268-A272 PolarHBondContact O-N 3.34Å; Y269-A272 VanDerWaalsContact O-CB 3.31Å; Y269-A272 WeakPolarHBondContact O-CB 3.33Å; Y269-A272 PolarHBondContact O-N 3.15Å; L270-A272 VanDerWaalsContact C-N 3.35Å; A272-K274 PolarHBondContact O-N 3.45Å; A272-E275 PolarHBondContact O-N 3.33Å; A272-E275 VanDerWaalsContact O-N 3.12Å; A272-Q276 PolarHBondContact O-N 3.49Å; A272-M281 HydrophobicContact CB-CE 4Å; A272-E517 HydrophobicContact CB-CG 3.39Å |
| 273 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -73.2 | -7.3 | -179.1 | 63.9 | 170.4 | 0 | 0 | 0 | 114.3 | Q111 M121 Y269 L270 M281 V322 F324 | Q111-I273 HydrophobicContact CG-CB 4.33Å; Q111-I273 HydrophobicContact CG-CD1 3.61Å; Q111-I273 HydrophobicContact CG-CG1 3.8Å; Q111-I273 PolarHBondContact NE2-O 3.36Å; M121-I273 VanDerWaalsContact CE-O 3.31Å; M121-I273 WeakPolarHBondContact CE-O 3.39Å; Y269-I273 HydrophobicContact CD1-CD1 4.32Å; Y269-I273 HydrophobicContact CD2-CG2 4.47Å; Y269-I273 HydrophobicContact CE1-CD1 3.94Å; Y269-I273 HydrophobicContact CE1-CG2 3.94Å; Y269-I273 HydrophobicContact CE2-CG2 3.84Å; Y269-I273 PolarHBondContact O-N 2.78Å; Y269-I273 VanDerWaalsContact O-N 3.08Å; L270-I273 HydrophobicContact CD1-CD1 4.15Å; L270-I273 HydrophobicContact CD1-CG1 4.3Å; L270-I273 WeakPolarHBondContact O-CG1 3.31Å; I273-M281 HydrophobicContact CG2-CB 3.9Å; I273-M281 HydrophobicContact CG2-CE 4.19Å; I273-M281 HydrophobicContact CG2-CG 4.26Å; I273-V322 HydrophobicContact CB-CG1 4.26Å; I273-V322 HydrophobicContact CD1-CB 4.31Å; I273-V322 HydrophobicContact CD1-CG1 3.91Å; I273-V322 HydrophobicContact CD1-CG2 3.49Å; I273-V322 VanDerWaalsContact CD1-CG2 3.49Å; I273-V322 HydrophobicContact CG2-CG1 4.15Å; I273-F324 HydrophobicContact CB-CZ 4.04Å; I273-F324 HydrophobicContact CG2-CZ 4.21Å |
| 274 | K | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 2.9 Ų | 2.9 | 0% | 0.004 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -91.1 | -25.6 | 169.3 | -81.1 | 180 | -177.2 | -85.5 | 0 | 112.8 | S87 A89 I110 Q111 M243 L270 A271 A272 | S87-K274 VanDerWaalsContact CB-O 3.28Å; S87-K274 WeakPolarHBondContact CB-O 3.47Å; S87-K274 PolarHBondContact OG-O 2.82Å; A89-K274 WeakPolarHBondContact O-CD 3.48Å; I110-K274 WeakPolarHBondContact O-CE 3.23Å; I110-K274 PolarHBondContact O-NZ 2.79Å; Q111-K274 WeakPolarHBondContact O-CG 3.5Å; Q111-K274 PolarHBondContact O-NZ 2.97Å; M243-K274 HydrophobicContact SD-CD 3.54Å; M243-K274 VanDerWaalsContact SD-CD 3.54Å; L270-K274 HydrophobicContact CD1-CD 4.44Å; L270-K274 HydrophobicContact CD1-CG 4.44Å; L270-K274 HydrophobicContact CG-CD 4.11Å; L270-K274 HydrophobicContact CG-CG 4.49Å; L270-K274 WeakPolarHBondContact O-CB 3.3Å; L270-K274 VanDerWaalsContact O-CG 3.27Å; L270-K274 WeakPolarHBondContact O-CG 3.46Å; L270-K274 PolarHBondContact O-N 3.49Å; A271-K274 PolarHBondContact O-N 2.78Å; A272-K274 PolarHBondContact O-N 3.45Å |
| 275 | E | 97.1 | Very high | 98.2 | Very high | 19 Ų | 19 | 3 Ų | 3 | 9% | 0.089 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -100.5 | -25.8 | -178.3 | -67.7 | -166.3 | 177.5 | 0 | 0 | 113.1 | A89 R239 A271 A272 Y512 | A89-E275 HydrophobicContact CB-CG 4.13Å; A89-E275 VanDerWaalsContact CB-OE1 3.3Å; A89-E275 WeakPolarHBondContact CB-OE1 3.43Å; A89-E275 PolarHBondContact N-OE1 3.41Å; R239-E275 IonicContact CZ-OE1 3.34Å; R239-E275 IonicContact CZ-OE2 3.86Å; R239-E275 IonicContact NE-OE1 2.74Å; R239-E275 PolarHBondContact NE-OE1 3.42Å; R239-E275 IonicContact NE-OE2 4Å; R239-E275 IonicContact NH2-OE1 3.1Å; R239-E275 PolarHBondContact NH2-OE1 3.43Å; R239-E275 VanDerWaalsContact NH2-OE1 3.1Å; R239-E275 IonicContact NH2-OE2 2.88Å; R239-E275 PolarHBondContact NH2-OE2 3.36Å; A271-E275 WeakPolarHBondContact O-CG 3.33Å; A271-E275 PolarHBondContact O-N 3.11Å; A271-E275 VanDerWaalsContact O-N 3.07Å; A272-E275 PolarHBondContact O-N 3.33Å; A272-E275 VanDerWaalsContact O-N 3.12Å; E275-Y512 PolarHBondContact O-OH 3.24Å |
| 276 | Q | 97.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 3.1 Ų | 3.1 | 4% | 0.037 | 2% | 0.016 | C | C | . | . | trans | -128.3 | 142.8 | -172.7 | -59 | -58.7 | -34.1 | 0 | 0 | 111.6 | A272 M281 F324 Y512 Y513 E514 | A272-Q276 PolarHBondContact O-N 3.49Å; Q276-M281 HydrophobicContact CB-CE 3.9Å; Q276-M281 HydrophobicContact CB-SD 4.32Å; Q276-F324 WeakPolarHBondContact O-CE1 3.4Å; Q276-F324 WeakPolarHBondContact O-CZ 3.32Å; Q276-Y512 VanDerWaalsContact OE1-CZ 3.23Å; Q276-Y513 PolarHBondContact NE2-O 3.28Å; Q276-E514 HydrophobicContact CG-CB 4.02Å; Q276-E514 HydrophobicContact CG-CG 3.81Å | ||
| 277 | N | 97 | Very high | 98.2 | Very high | 18 Ų | 18 | 3 Ų | 3 | 10% | 0.096 | 2% | 0.015 | C | C | . | . | trans | -115.8 | 45.5 | 171 | 61.8 | -9.3 | 0 | 0 | 0 | 111.1 | M121 G184 F324 R326 Y512 | M121-N277 HydrophobicContact SD-CB 3.56Å; M121-N277 VanDerWaalsContact SD-CB 3.56Å; G184-N277 PolarHBondContact N-OD1 3.29Å; N277-F324 HydrophobicContact CB-CD1 3.59Å; N277-F324 HydrophobicContact CB-CE1 3.99Å; N277-F324 HydrophobicContact CB-CG 4.13Å; N277-R326 PolarHBondContact O-NH1 3.13Å; N277-Y512 PolarHBondContact N-OH 3.11Å; N277-Y512 VanDerWaalsContact OD1-CE1 3.29Å; N277-Y512 WeakPolarHBondContact OD1-CE1 3.33Å; N277-Y512 PolarHBondContact OD1-OH 3.23Å | ||
| 278 | G | 97.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 3.1 Ų | 3.1 | 1% | 0.01 | 2% | 0.017 | C | C | . | . | B | Isolated β-bridge | trans | -45 | 149.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G184 A280 M281 R326 | G184-G278 CarbonylContact O-C 3.54Å; G184-G278 VanDerWaalsContact O-CA 3.27Å; G184-G278 WeakPolarHBondContact O-CA 3.44Å; G278-A280 VanDerWaalsContact C-N 3.32Å; G278-M281 VanDerWaalsContact CA-SD 3.58Å; G278-M281 PolarHBondContact N-SD 3.1Å; G278-M281 VanDerWaalsContact N-SD 3.45Å; G278-R326 PolarHBondContact O-NH2 2.95Å |
| 279 | A | 94.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 3.1 Ų | 3.1 | 2% | 0.017 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -53.8 | -56.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y183 G184 Y330 W340 F438 | Y183-A279 HydrophobicContact CD2-CB 4.02Å; Y183-A279 HydrophobicContact CE2-CB 3.76Å; G184-A279 PolarHBondContact O-N 3.28Å; A279-Y330 WeakPolarHBondContact CA-OH 3.46Å; A279-W340 WeakPolarHBondContact O-CZ3 3.48Å; A279-F438 HydrophobicContact CB-CE1 4.08Å |
| 280 | A | 97.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 3.1 Ų | 3.1 | 2% | 0.017 | 2% | 0.017 | C | C | . | . | trans | -106.4 | 129.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G186 G278 V339 W340 C424 | G186-A280 WeakPolarHBondContact CA-O 3.27Å; G278-A280 VanDerWaalsContact C-N 3.32Å; A280-V339 WeakPolarHBondContact CA-O 3.39Å; A280-W340 HydrophobicContact CB-CB 3.68Å; A280-W340 HydrophobicContact CB-CD2 4.16Å; A280-W340 HydrophobicContact CB-CE3 4.07Å; A280-W340 HydrophobicContact CB-CG 4.05Å; A280-C424 HydrophobicContact CB-CB 3.41Å; A280-C424 VanDerWaalsContact CB-CB 3.41Å | ||
| 281 | M | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | -120.7 | 77.5 | 175.7 | -62 | -58.6 | -61.6 | 0 | 0 | 109.1 | Y269 A272 I273 Q276 G278 F324 V339 W340 A341 | Y269-M281 VanDerWaalsContact CE2-O 3.31Å; Y269-M281 WeakPolarHBondContact CE2-O 3.28Å; Y269-M281 PolarHBondContact OH-O 3.03Å; A272-M281 HydrophobicContact CB-CE 4Å; I273-M281 HydrophobicContact CG2-CB 3.9Å; I273-M281 HydrophobicContact CG2-CE 4.19Å; I273-M281 HydrophobicContact CG2-CG 4.26Å; Q276-M281 HydrophobicContact CB-CE 3.9Å; Q276-M281 HydrophobicContact CB-SD 4.32Å; G278-M281 VanDerWaalsContact CA-SD 3.58Å; G278-M281 PolarHBondContact N-SD 3.1Å; G278-M281 VanDerWaalsContact N-SD 3.45Å; M281-F324 HydrophobicContact CB-CE2 4.48Å; M281-F324 HydrophobicContact CG-CE2 3.74Å; M281-F324 HydrophobicContact CG-CZ 3.75Å; M281-V339 HydrophobicContact CB-CG1 4.41Å; M281-V339 PolarHBondContact N-O 3.34Å; M281-W340 CarbonylContact C-O 3.52Å; M281-W340 VanDerWaalsContact C-O 3.32Å; M281-A341 WeakPolarHBondContact O-CA 3.47Å | ||
| 282 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.018 | C | C | . | . | trans | -81.1 | 143.4 | -173.2 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | Y192 W340 T342 C424 | Y192-S282 WeakPolarHBondContact CE2-O 3.47Å; Y192-S282 PolarHBondContact OH-O 3.24Å; S282-W340 WeakPolarHBondContact CA-O 3.49Å; S282-W340 PolarHBondContact N-O 3.36Å; S282-W340 PolarHBondContact OG-O 2.99Å; S282-T342 WeakPolarHBondContact OG-CB 3.31Å; S282-T342 PolarHBondContact OG-OG1 3.24Å; S282-C424 PolarHBondContact OG-N 2.99Å | ||
| 283 | I | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 3.5 Ų | 3.5 | 1% | 0.01 | 2% | 0.018 | C | C | . | . | trans | -83.1 | -23.3 | 177.8 | -166.4 | 173.2 | 0 | 0 | 0 | 112.2 | Y192 Y269 V286 L319 T342 L343 | Y192-I283 HydrophobicContact CD2-CG1 4.16Å; Y192-I283 VanDerWaalsContact CD2-O 3.26Å; Y192-I283 WeakPolarHBondContact CD2-O 3.42Å; Y192-I283 WeakPolarHBondContact CE2-O 3.38Å; Y269-I283 HydrophobicContact CD2-CB 4.19Å; Y269-I283 HydrophobicContact CD2-CG1 4.2Å; Y269-I283 HydrophobicContact CE2-CB 4.23Å; Y269-I283 HydrophobicContact CG-CD1 4.44Å; Y269-I283 HydrophobicContact CG-CG1 4.17Å; I283-V286 HydrophobicContact CD1-CG2 4.31Å; I283-V286 HydrophobicContact CG1-CG1 4.18Å; I283-L319 HydrophobicContact CD1-CD1 3.9Å; I283-L319 HydrophobicContact CD1-CD2 3.88Å; I283-L319 HydrophobicContact CG2-CD1 4.36Å; I283-T342 WeakPolarHBondContact CG2-O 3.48Å; I283-T342 PolarHBondContact N-O 3.31Å; I283-T342 VanDerWaalsContact N-O 3.16Å; I283-L343 HydrophobicContact CG2-CB 3.67Å; I283-L343 HydrophobicContact CG2-CD1 3.92Å; I283-L343 HydrophobicContact CG2-CG 3.8Å | ||
| 284 | G | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 3.5 Ų | 3.5 | 1% | 0.01 | 2% | 0.018 | C | C | . | . | B | Isolated β-bridge | trans | 88.6 | -150.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V286 T342 L343 S344 | G284-V286 PolarHBondContact O-N 3.04Å; G284-T342 PolarHBondContact N-O 3.5Å; G284-L343 WeakPolarHBondContact O-CA 3.49Å; G284-S344 PolarHBondContact O-N 3.03Å; G284-S344 VanDerWaalsContact O-N 3.09Å |
| 285 | R | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 4.6 Ų | 4.6 | 2% | 0.023 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -101.4 | 78 | -172.9 | -169 | 167.1 | -175.3 | 173.3 | 1 | 112 | R193 A346 D418 Y420 A421 | R193-R285 WeakPolarHBondContact CD-O 3.42Å; R193-R285 PolarHBondContact NH1-O 2.97Å; R285-A346 PolarHBondContact NH2-O 2.82Å; R285-D418 PolarHBondContact NH1-O 2.96Å; R285-D418 VanDerWaalsContact NH1-O 3.08Å; R285-Y420 WeakPolarHBondContact CD-O 3.44Å; R285-Y420 PolarHBondContact NH1-O 3.08Å; R285-A421 HydrophobicContact CB-CB 4.09Å |
| 286 | V | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 4.9 Ų | 4.9 | 1% | 0.012 | 2% | 0.024 | C | C | . | . | trans | -100 | -19.5 | -173.7 | -58.9 | 0 | 0 | 0 | 0 | 114.5 | R193 T265 I283 G284 F289 L290 L343 F363 | R193-V286 HydrophobicContact CG-CG1 3.97Å; T265-V286 HydrophobicContact CG2-CB 4.42Å; T265-V286 HydrophobicContact CG2-CG1 3.88Å; I283-V286 HydrophobicContact CD1-CG2 4.31Å; I283-V286 HydrophobicContact CG1-CG1 4.18Å; G284-V286 PolarHBondContact O-N 3.04Å; V286-F289 PolarHBondContact O-N 3.16Å; V286-L290 HydrophobicContact CB-CD1 4.17Å; V286-L290 HydrophobicContact CB-CG 4.48Å; V286-L290 HydrophobicContact CG2-CD1 4.17Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.31Å; V286-L290 PolarHBondContact O-N 3.08Å; V286-L343 HydrophobicContact CG2-CD1 3.82Å; V286-L343 HydrophobicContact CG2-CD2 4.46Å; V286-L343 HydrophobicContact CG2-CG 4.01Å; V286-F363 HydrophobicContact CG2-CZ 4.34Å | ||
| 287 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -56.7 | -64.6 | -170.6 | 172.4 | 0 | 0 | 0 | 0 | 113.9 | F289 L290 D291 N359 D360 | S287-F289 PolarHBondContact O-N 3.35Å; S287-L290 PolarHBondContact O-N 3.32Å; S287-L290 VanDerWaalsContact O-N 3.16Å; S287-D291 PolarHBondContact O-N 3.4Å; S287-N359 PolarHBondContact O-ND2 3.04Å; S287-D360 VanDerWaalsContact CB-OD1 3.24Å; S287-D360 WeakPolarHBondContact CB-OD1 3.45Å; S287-D360 WeakPolarHBondContact OG-CA 3.4Å; S287-D360 VanDerWaalsContact OG-CG 3.23Å; S287-D360 PolarHBondContact OG-N 3.35Å; S287-D360 PolarHBondContact OG-OD1 2.66Å |
| 288 | T | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 5.8 Ų | 5.8 | 3% | 0.025 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -57.8 | -34 | 178.1 | -49.9 | 0 | 0 | 0 | 0 | 112.7 | I37 Y41 L355 T357 | I37-T288 HydrophobicContact CG2-CG2 3.99Å; Y41-T288 HydrophobicContact CD2-CG2 3.86Å; Y41-T288 HydrophobicContact CG-CG2 4Å; T288-L355 HydrophobicContact CG2-CD2 4.06Å; T288-L355 PolarHBondContact OG1-O 3.28Å; T288-T357 HydrophobicContact CG2-CG2 3.71Å |
| 289 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.8 | -47.5 | 176.8 | 166.3 | -97.2 | 0 | 0 | 0 | 111.8 | V33 F36 I37 R193 A196 L197 V286 S287 D291 I292 Y293 | V33-F289 HydrophobicContact CG1-CD2 3.95Å; V33-F289 HydrophobicContact CG1-CE2 4.22Å; F36-F289 AromaticContact CD1-CD2 3.76Å; F36-F289 HydrophobicContact CD1-CD2 3.76Å; F36-F289 AromaticContact CD1-CE2 3.66Å; F36-F289 HydrophobicContact CD1-CE2 3.66Å; F36-F289 AromaticContact CE1-CD2 3.67Å; F36-F289 HydrophobicContact CE1-CD2 3.67Å; F36-F289 AromaticContact CE1-CE2 3.45Å; F36-F289 HydrophobicContact CE1-CE2 3.45Å; F36-F289 VanDerWaalsContact CE1-CE2 3.45Å; F36-F289 HydrophobicContact CE1-CZ 4.49Å; I37-F289 HydrophobicContact CD1-CB 4.12Å; I37-F289 HydrophobicContact CG1-CB 4.21Å; I37-F289 HydrophobicContact CG1-CD2 4.26Å; R193-F289 HydrophobicContact CB-CD1 3.74Å; R193-F289 HydrophobicContact CB-CD2 4.09Å; R193-F289 HydrophobicContact CB-CE1 3.67Å; R193-F289 HydrophobicContact CB-CE2 4.02Å; R193-F289 HydrophobicContact CB-CG 3.96Å; R193-F289 HydrophobicContact CB-CZ 3.82Å; R193-F289 HydrophobicContact CG-CB 4.25Å; R193-F289 HydrophobicContact CG-CD1 3.57Å; R193-F289 HydrophobicContact CG-CD2 4.39Å; R193-F289 HydrophobicContact CG-CE1 3.99Å; R193-F289 HydrophobicContact CG-CG 3.8Å; R193-F289 WeakPolarHBondContact O-CZ 3.24Å; A196-F289 HydrophobicContact CB-CE1 3.91Å; A196-F289 HydrophobicContact CB-CZ 3.87Å; L197-F289 HydrophobicContact CB-CE2 4.18Å; L197-F289 HydrophobicContact CB-CZ 4.23Å; V286-F289 PolarHBondContact O-N 3.16Å; S287-F289 PolarHBondContact O-N 3.35Å; F289-D291 VanDerWaalsContact C-N 3.27Å; F289-D291 PolarHBondContact O-N 3.36Å; F289-I292 WeakPolarHBondContact O-CB 3.45Å; F289-I292 PolarHBondContact O-N 2.77Å; F289-Y293 HydrophobicContact CE1-CE2 4.33Å; F289-Y293 HydrophobicContact CE2-CE2 4.03Å; F289-Y293 AromaticContact CZ-CE2 3.76Å; F289-Y293 HydrophobicContact CZ-CE2 3.76Å |
| 290 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67 | -31.5 | 179.3 | -67.2 | 173.7 | 0 | 0 | 0 | 111.5 | A261 V262 V286 S287 I292 Y293 I294 L315 F363 | A261-L290 HydrophobicContact CB-CD2 4.28Å; V262-L290 HydrophobicContact CB-CD2 4.47Å; V262-L290 HydrophobicContact CG2-CD1 4.28Å; V262-L290 HydrophobicContact CG2-CD2 3.99Å; V286-L290 HydrophobicContact CB-CD1 4.17Å; V286-L290 HydrophobicContact CB-CG 4.48Å; V286-L290 HydrophobicContact CG2-CD1 4.17Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.31Å; V286-L290 PolarHBondContact O-N 3.08Å; S287-L290 PolarHBondContact O-N 3.32Å; S287-L290 VanDerWaalsContact O-N 3.16Å; L290-I292 PolarHBondContact O-N 3.42Å; L290-Y293 PolarHBondContact O-N 2.92Å; L290-I294 PolarHBondContact O-N 2.67Å; L290-I294 VanDerWaalsContact O-N 3.12Å; L290-L315 HydrophobicContact CD1-CD2 4Å; L290-F363 HydrophobicContact CD1-CZ 4.26Å |
| 291 | D | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.7 | -32.9 | 176.2 | -161.1 | 65.1 | 0 | 0 | 0 | 112.5 | S287 F289 Y293 I294 Q295 T357 N359 R362 | S287-D291 PolarHBondContact O-N 3.4Å; F289-D291 VanDerWaalsContact C-N 3.27Å; F289-D291 PolarHBondContact O-N 3.36Å; D291-Y293 VanDerWaalsContact C-N 3.26Å; D291-Y293 PolarHBondContact O-N 3.45Å; D291-I294 PolarHBondContact O-N 2.99Å; D291-Q295 WeakPolarHBondContact O-CB 3.47Å; D291-Q295 PolarHBondContact O-N 3.02Å; D291-T357 HydrophobicContact CB-CG2 4.07Å; D291-T357 WeakPolarHBondContact OD2-CB 3.32Å; D291-N359 HydrophobicContact CB-CB 3.64Å; D291-N359 WeakPolarHBondContact OD1-CB 3.37Å; D291-N359 PolarHBondContact OD1-N 3.49Å; D291-R362 IonicContact OD1-NH1 2.62Å; D291-R362 PolarHBondContact OD1-NH1 2.75Å |
| 292 | I | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 179 | -66.1 | 161.3 | 0 | 0 | 0 | 111.2 | F22 F36 I37 N40 F289 L290 R296 | F22-I292 HydrophobicContact CD1-CG2 3.97Å; F22-I292 HydrophobicContact CE1-CG2 3.42Å; F22-I292 VanDerWaalsContact CE1-CG2 3.42Å; F22-I292 HydrophobicContact CZ-CG2 3.99Å; F36-I292 HydrophobicContact CD1-CD1 3.97Å; F36-I292 HydrophobicContact CE1-CB 4.27Å; F36-I292 HydrophobicContact CE1-CD1 3.55Å; F36-I292 HydrophobicContact CE1-CG2 4.01Å; F36-I292 HydrophobicContact CE2-CG2 4.34Å; F36-I292 HydrophobicContact CZ-CB 4.28Å; F36-I292 HydrophobicContact CZ-CD1 4.18Å; F36-I292 HydrophobicContact CZ-CG2 3.55Å; I37-I292 HydrophobicContact CB-CD1 4.41Å; I37-I292 HydrophobicContact CG1-CD1 4.21Å; N40-I292 HydrophobicContact CB-CD1 4.15Å; N40-I292 HydrophobicContact CB-CG1 4.24Å; N40-I292 HydrophobicContact CB-CG2 3.66Å; F289-I292 WeakPolarHBondContact O-CB 3.45Å; F289-I292 PolarHBondContact O-N 2.77Å; L290-I292 PolarHBondContact O-N 3.42Å; I292-R296 VanDerWaalsContact O-CB 3.3Å; I292-R296 WeakPolarHBondContact O-CB 3.49Å; I292-R296 PolarHBondContact O-N 3.35Å |
| 293 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.7 | -43.4 | 178.6 | -69.3 | -98.5 | 0 | 0 | 0 | 111.5 | F22 F36 A255 A261 F289 L290 D291 R296 D297 | F22-Y293 HydrophobicContact CE2-CD1 4.25Å; F22-Y293 AromaticContact CE2-CE1 3.77Å; F22-Y293 HydrophobicContact CE2-CE1 3.77Å; F22-Y293 AromaticContact CZ-CD1 3.9Å; F22-Y293 HydrophobicContact CZ-CD1 3.9Å; F22-Y293 AromaticContact CZ-CE1 3.89Å; F22-Y293 HydrophobicContact CZ-CE1 3.89Å; F22-Y293 HydrophobicContact CZ-CG 4.26Å; F36-Y293 AromaticContact CE1-CE2 3.88Å; F36-Y293 HydrophobicContact CE1-CE2 3.88Å; F36-Y293 AromaticContact CZ-CE2 3.73Å; F36-Y293 HydrophobicContact CZ-CE2 3.73Å; A255-Y293 HydrophobicContact CB-CE1 4.45Å; A261-Y293 HydrophobicContact CB-CD1 3.7Å; A261-Y293 HydrophobicContact CB-CD2 3.62Å; A261-Y293 HydrophobicContact CB-CE1 4.1Å; A261-Y293 HydrophobicContact CB-CE2 4.05Å; A261-Y293 HydrophobicContact CB-CG 3.43Å; A261-Y293 VanDerWaalsContact CB-CG 3.43Å; F289-Y293 HydrophobicContact CE1-CE2 4.33Å; F289-Y293 HydrophobicContact CE2-CE2 4.03Å; F289-Y293 AromaticContact CZ-CE2 3.76Å; F289-Y293 HydrophobicContact CZ-CE2 3.76Å; L290-Y293 PolarHBondContact O-N 2.92Å; D291-Y293 VanDerWaalsContact C-N 3.26Å; D291-Y293 PolarHBondContact O-N 3.45Å; Y293-R296 PolarHBondContact O-N 3.49Å; Y293-D297 PolarHBondContact O-N 3.03Å |
| 294 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -52 | 178 | -71.1 | 168.6 | 0 | 0 | 0 | 110.6 | A258 L290 D291 R296 D297 I298 L303 A308 I312 N359 | A258-I294 HydrophobicContact CB-CG1 3.87Å; L290-I294 PolarHBondContact O-N 2.67Å; L290-I294 VanDerWaalsContact O-N 3.12Å; D291-I294 PolarHBondContact O-N 2.99Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 2.82Å; I294-D297 PolarHBondContact O-N 3.01Å; I294-D297 VanDerWaalsContact O-N 3.15Å; I294-I298 HydrophobicContact CG2-CD1 3.7Å; I294-I298 HydrophobicContact CG2-CG1 4.36Å; I294-I298 WeakPolarHBondContact O-CG1 3.32Å; I294-I298 PolarHBondContact O-N 3.43Å; I294-L303 HydrophobicContact CG1-CD2 4.44Å; I294-L303 HydrophobicContact CG2-CD2 4.14Å; I294-A308 HydrophobicContact CG2-CB 3.62Å; I294-I312 HydrophobicContact CD1-CD1 3.93Å; I294-I312 HydrophobicContact CD1-CG1 4.31Å; I294-N359 WeakPolarHBondContact CD1-OD1 3.48Å |
| 295 | Q | 98.4 | Very high | 98.3 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | -178.8 | -170.2 | 58.4 | 68.4 | 0 | 0 | 111.5 | D291 N299 | D291-Q295 WeakPolarHBondContact O-CB 3.47Å; D291-Q295 PolarHBondContact O-N 3.02Å; Q295-N299 PolarHBondContact NE2-OD1 3.1Å; Q295-N299 VanDerWaalsContact O-CB 3.3Å; Q295-N299 WeakPolarHBondContact O-CB 3.34Å; Q295-N299 PolarHBondContact O-N 3.26Å; Q295-N299 PolarHBondContact O-ND2 3.36Å; Q295-N299 PolarHBondContact O-OD1 3.47Å |
| 296 | R | 98.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 36 Ų | 36 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 173.6 | -174.2 | -167.7 | 67.3 | 179.3 | -1.5 | 111.5 | A18 F22 E256 I292 Y293 I294 N299 K300 | A18-R296 PolarHBondContact O-NH1 3.24Å; F22-R296 HydrophobicContact CE1-CB 4.36Å; F22-R296 HydrophobicContact CE1-CG 4.44Å; F22-R296 VanDerWaalsContact CZ-NH1 3.3Å; E256-R296 PolarHBondContact O-NH2 2.75Å; I292-R296 VanDerWaalsContact O-CB 3.3Å; I292-R296 WeakPolarHBondContact O-CB 3.49Å; I292-R296 PolarHBondContact O-N 3.35Å; Y293-R296 PolarHBondContact O-N 3.49Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 2.82Å; R296-N299 PolarHBondContact O-N 2.84Å; R296-K300 HydrophobicContact CG-CD 4.44Å; R296-K300 WeakPolarHBondContact O-CG 3.41Å; R296-K300 PolarHBondContact O-N 2.76Å |
| 297 | D | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.1 | -33.4 | -175.8 | -70.3 | 6.9 | 0 | 0 | 0 | 112 | N257 A258 Y293 I294 K300 G301 I302 L303 | N257-D297 WeakPolarHBondContact CA-OD2 3.26Å; N257-D297 VanDerWaalsContact CB-OD2 3.25Å; N257-D297 WeakPolarHBondContact CB-OD2 3.33Å; A258-D297 HydrophobicContact CB-CB 4.35Å; A258-D297 WeakPolarHBondContact CB-OD2 3.26Å; A258-D297 PolarHBondContact N-OD2 3.4Å; Y293-D297 PolarHBondContact O-N 3.03Å; I294-D297 PolarHBondContact O-N 3.01Å; I294-D297 VanDerWaalsContact O-N 3.15Å; D297-K300 PolarHBondContact O-N 3.34Å; D297-G301 PolarHBondContact O-N 3.1Å; D297-I302 HydrophobicContact CB-CB 4.43Å; D297-I302 PolarHBondContact O-N 3.46Å; D297-L303 HydrophobicContact CB-CB 3.94Å; D297-L303 PolarHBondContact O-N 3.4Å |
| 298 | I | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 167.7 | -70.3 | 172.9 | 0 | 0 | 0 | 110.4 | I294 K300 G301 L303 A308 | I294-I298 HydrophobicContact CG2-CD1 3.7Å; I294-I298 HydrophobicContact CG2-CG1 4.36Å; I294-I298 WeakPolarHBondContact O-CG1 3.32Å; I294-I298 PolarHBondContact O-N 3.43Å; I298-K300 PolarHBondContact O-N 2.95Å; I298-G301 PolarHBondContact O-N 3.16Å; I298-L303 WeakPolarHBondContact CA-O 3.29Å; I298-L303 HydrophobicContact CG1-CB 4.19Å; I298-L303 HydrophobicContact CG1-CD2 4.4Å; I298-L303 HydrophobicContact CG1-CG 4.5Å; I298-A308 HydrophobicContact CD1-CB 4.16Å |
| 299 | N | 97.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 39.8 Ų | 39.8 | 63% | 0.626 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63 | -29.1 | 179.5 | -70.9 | -13.1 | 0 | 0 | 0 | 112.8 | Q295 R296 G301 | Q295-N299 PolarHBondContact NE2-OD1 3.1Å; Q295-N299 VanDerWaalsContact O-CB 3.3Å; Q295-N299 WeakPolarHBondContact O-CB 3.34Å; Q295-N299 PolarHBondContact O-N 3.26Å; Q295-N299 PolarHBondContact O-ND2 3.36Å; Q295-N299 PolarHBondContact O-OD1 3.47Å; R296-N299 PolarHBondContact O-N 2.84Å; N299-G301 VanDerWaalsContact C-N 3.29Å |
| 300 | K | 96.6 | Very high | 98.3 | Very high | 106 Ų | 106 | 40.6 Ų | 40.6 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -5.9 | 173.8 | -71.2 | 179.2 | 178.9 | -176.9 | 0 | 113.3 | R296 D297 I298 I302 | R296-K300 HydrophobicContact CG-CD 4.44Å; R296-K300 WeakPolarHBondContact O-CG 3.41Å; R296-K300 PolarHBondContact O-N 2.76Å; D297-K300 PolarHBondContact O-N 3.34Å; I298-K300 PolarHBondContact O-N 2.95Å; K300-I302 HydrophobicContact CB-CD1 3.66Å; K300-I302 HydrophobicContact CB-CG1 3.83Å; K300-I302 HydrophobicContact CD-CD1 3.86Å; K300-I302 HydrophobicContact CG-CD1 4.41Å; K300-I302 PolarHBondContact O-N 2.98Å |
| 301 | G | 97.1 | Very high | 98.3 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 68% | 0.68 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 19.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D297 I298 N299 | D297-G301 PolarHBondContact O-N 3.1Å; I298-G301 PolarHBondContact O-N 3.16Å; N299-G301 VanDerWaalsContact C-N 3.29Å |
| 302 | I | 96.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 40.9 Ų | 40.9 | 61% | 0.61 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -86.5 | -33 | 179.7 | -61.4 | 169.2 | 0 | 0 | 0 | 110.5 | D297 K300 | D297-I302 HydrophobicContact CB-CB 4.43Å; D297-I302 PolarHBondContact O-N 3.46Å; K300-I302 HydrophobicContact CB-CD1 3.66Å; K300-I302 HydrophobicContact CB-CG1 3.83Å; K300-I302 HydrophobicContact CD-CD1 3.86Å; K300-I302 HydrophobicContact CG-CD1 4.41Å; K300-I302 PolarHBondContact O-N 2.98Å |
| 303 | L | 98.1 | Very high | 98.3 | Very high | 28 Ų | 28 | 40.6 Ų | 40.6 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -121.1 | 136.8 | -177.4 | -165.7 | 70 | 0 | 0 | 0 | 109.7 | A258 I294 D297 I298 K307 A308 L311 | A258-L303 HydrophobicContact CB-CD2 3.87Å; I294-L303 HydrophobicContact CG1-CD2 4.44Å; I294-L303 HydrophobicContact CG2-CD2 4.14Å; D297-L303 HydrophobicContact CB-CB 3.94Å; D297-L303 PolarHBondContact O-N 3.4Å; I298-L303 WeakPolarHBondContact CA-O 3.29Å; I298-L303 HydrophobicContact CG1-CB 4.19Å; I298-L303 HydrophobicContact CG1-CD2 4.4Å; I298-L303 HydrophobicContact CG1-CG 4.5Å; L303-K307 HydrophobicContact CD1-CB 3.68Å; L303-K307 HydrophobicContact CG-CB 4.4Å; L303-A308 HydrophobicContact CD2-CB 3.81Å; L303-A308 HydrophobicContact CG-CB 4.31Å; L303-L311 HydrophobicContact CD1-CD1 4.29Å; L303-L311 HydrophobicContact CD2-CD1 4.24Å |
| 304 | T | 98.6 | Very high | 98.3 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 47% | 0.466 | 22% | 0.217 | S | C | . | . | trans | -90.9 | 163.5 | 169 | 61.5 | 0 | 0 | 0 | 0 | 110 | E306 K307 A308 | T304-E306 VanDerWaalsContact C-N 3.33Å; T304-E306 PolarHBondContact O-N 2.88Å; T304-K307 PolarHBondContact O-N 3.29Å; T304-K307 WeakPolarHBondContact OG1-CB 3.47Å; T304-K307 WeakPolarHBondContact OG1-CG 3.2Å; T304-K307 PolarHBondContact OG1-N 2.87Å; T304-A308 PolarHBondContact O-N 3.16Å | ||
| 305 | E | 98.7 | Very high | 98.3 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 175 | -174.7 | 55.9 | -141.5 | 0 | 0 | 112.1 | F50 A52 K307 A308 Q309 R362 | F50-E305 HydrophobicContact CD2-CG 4.14Å; F50-E305 WeakPolarHBondContact CD2-OE1 3.37Å; F50-E305 WeakPolarHBondContact CE2-OE1 3.46Å; F50-E305 VanDerWaalsContact O-CG 3.27Å; F50-E305 WeakPolarHBondContact O-CG 3.49Å; A52-E305 HydrophobicContact CB-CG 4.29Å; E305-K307 VanDerWaalsContact C-N 3.33Å; E305-K307 PolarHBondContact O-N 3.01Å; E305-A308 WeakPolarHBondContact O-CB 3.45Å; E305-A308 PolarHBondContact O-N 3.5Å; E305-A308 VanDerWaalsContact O-N 3.11Å; E305-Q309 PolarHBondContact O-N 3.03Å; E305-R362 IonicContact OE1-CZ 2.71Å; E305-R362 IonicContact OE1-NE 3.48Å; E305-R362 PolarHBondContact OE1-NE 2.79Å; E305-R362 IonicContact OE1-NH2 2.77Å; E305-R362 PolarHBondContact OE1-NH2 3.43Å; E305-R362 IonicContact OE2-CZ 2.73Å; E305-R362 IonicContact OE2-NE 2.66Å; E305-R362 IonicContact OE2-NH2 3.72Å; E305-R362 PolarHBondContact OE2-NH2 2.83Å |
| 306 | E | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.8 | -45.2 | 173 | 179.5 | -173.1 | -150.9 | 0 | 0 | 112.1 | A52 T55 T304 Q309 E310 | A52-E306 HydrophobicContact CB-CB 4.21Å; T55-E306 HydrophobicContact CG2-CG 3.65Å; T304-E306 VanDerWaalsContact C-N 3.33Å; T304-E306 PolarHBondContact O-N 2.88Å; E306-Q309 PolarHBondContact O-N 3.33Å; E306-E310 PolarHBondContact O-N 3.33Å |
| 307 | K | 98.7 | Very high | 98.4 | Very high | 84 Ų | 84 | 38.3 Ų | 38.3 | 37% | 0.365 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -75.1 | -24.2 | 177.7 | -68.6 | -62.1 | -178.3 | -176.6 | 0 | 113.3 | L303 T304 E305 E310 L311 | L303-K307 HydrophobicContact CD1-CB 3.68Å; L303-K307 HydrophobicContact CG-CB 4.4Å; T304-K307 PolarHBondContact O-N 3.29Å; T304-K307 WeakPolarHBondContact OG1-CB 3.47Å; T304-K307 WeakPolarHBondContact OG1-CG 3.2Å; T304-K307 PolarHBondContact OG1-N 2.87Å; E305-K307 VanDerWaalsContact C-N 3.33Å; E305-K307 PolarHBondContact O-N 3.01Å; K307-E310 WeakPolarHBondContact CD-OE2 3.4Å; K307-E310 IonicContact NZ-OE1 3.37Å; K307-E310 PolarHBondContact NZ-OE1 3.29Å; K307-E310 IonicContact NZ-OE2 2.83Å; K307-E310 PolarHBondContact NZ-OE2 2.95Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å; K307-L311 PolarHBondContact O-N 2.79Å |
| 308 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I294 I298 L303 T304 E305 L311 I312 | I294-A308 HydrophobicContact CG2-CB 3.62Å; I298-A308 HydrophobicContact CD1-CB 4.16Å; L303-A308 HydrophobicContact CD2-CB 3.81Å; L303-A308 HydrophobicContact CG-CB 4.31Å; T304-A308 PolarHBondContact O-N 3.16Å; E305-A308 WeakPolarHBondContact O-CB 3.45Å; E305-A308 PolarHBondContact O-N 3.5Å; E305-A308 VanDerWaalsContact O-N 3.11Å; A308-L311 PolarHBondContact O-N 3.34Å; A308-I312 PolarHBondContact O-N 3.04Å |
| 309 | Q | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 175.7 | -171.1 | 62.8 | 46.5 | 0 | 0 | 111.4 | A52 E305 E306 L311 I312 D313 R362 N369 | A52-Q309 HydrophobicContact CB-CB 4.36Å; E305-Q309 PolarHBondContact O-N 3.03Å; E306-Q309 PolarHBondContact O-N 3.33Å; Q309-L311 VanDerWaalsContact C-N 3.28Å; Q309-L311 PolarHBondContact O-N 3.12Å; Q309-I312 PolarHBondContact O-N 2.73Å; Q309-D313 PolarHBondContact NE2-OD1 3.09Å; Q309-D313 WeakPolarHBondContact O-CB 3.39Å; Q309-D313 PolarHBondContact O-N 3.31Å; Q309-R362 PolarHBondContact NE2-O 3.11Å; Q309-R362 VanDerWaalsContact OE1-CG 3.25Å; Q309-N369 WeakPolarHBondContact CG-ND2 3.35Å |
| 310 | E | 98.9 | Very high | 98.4 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.8 | -40.6 | 175.2 | -174.5 | -179 | -105.9 | 0 | 0 | 112.7 | T55 A106 E306 K307 I312 H314 | T55-E310 HydrophobicContact CG2-CB 3.85Å; T55-E310 HydrophobicContact CG2-CG 4.11Å; T55-E310 WeakPolarHBondContact CG2-OE1 3.42Å; T55-E310 PolarHBondContact OG1-OE1 3.26Å; A106-E310 HydrophobicContact CB-CG 4.15Å; E306-E310 PolarHBondContact O-N 3.33Å; K307-E310 WeakPolarHBondContact CD-OE2 3.4Å; K307-E310 IonicContact NZ-OE1 3.37Å; K307-E310 PolarHBondContact NZ-OE1 3.29Å; K307-E310 IonicContact NZ-OE2 2.83Å; K307-E310 PolarHBondContact NZ-OE2 2.95Å; E310-I312 PolarHBondContact O-N 2.81Å; E310-H314 VanDerWaalsContact O-CB 3.32Å; E310-H314 WeakPolarHBondContact O-CB 3.43Å; E310-H314 PolarHBondContact O-CD2 3.11Å; E310-H314 VanDerWaalsContact O-CG 3.24Å; E310-H314 PolarHBondContact O-N 3.22Å |
| 311 | L | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 176.5 | -67.1 | 173 | 0 | 0 | 0 | 112.1 | A106 I107 A258 K259 V262 L303 K307 A308 Q309 L315 | A106-L311 HydrophobicContact CB-CD2 4.02Å; I107-L311 HydrophobicContact CD1-CD2 3.98Å; I107-L311 HydrophobicContact CG1-CD2 4.36Å; A258-L311 HydrophobicContact CB-CD1 4.13Å; K259-L311 HydrophobicContact CB-CD1 4.4Å; K259-L311 HydrophobicContact CB-CD2 3.94Å; K259-L311 HydrophobicContact CG-CD2 3.97Å; V262-L311 HydrophobicContact CG2-CB 4.38Å; L303-L311 HydrophobicContact CD1-CD1 4.29Å; L303-L311 HydrophobicContact CD2-CD1 4.24Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å; K307-L311 PolarHBondContact O-N 2.79Å; A308-L311 PolarHBondContact O-N 3.34Å; Q309-L311 VanDerWaalsContact C-N 3.28Å; Q309-L311 PolarHBondContact O-N 3.12Å; L311-L315 WeakPolarHBondContact O-CB 3.37Å; L311-L315 PolarHBondContact O-N 3.34Å |
| 312 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.3 | -42.6 | 179.8 | -59.2 | -53 | 0 | 0 | 0 | 110.9 | I294 A308 Q309 E310 H314 L315 V316 N359 R362 F363 T366 | I294-I312 HydrophobicContact CD1-CD1 3.93Å; I294-I312 HydrophobicContact CD1-CG1 4.31Å; A308-I312 PolarHBondContact O-N 3.04Å; Q309-I312 PolarHBondContact O-N 2.73Å; E310-I312 PolarHBondContact O-N 2.81Å; I312-H314 VanDerWaalsContact C-N 3.34Å; I312-H314 PolarHBondContact O-N 2.88Å; I312-L315 PolarHBondContact O-N 3.29Å; I312-V316 HydrophobicContact CG2-CG2 4.44Å; I312-V316 WeakPolarHBondContact O-CB 3.46Å; I312-V316 WeakPolarHBondContact O-CG2 3.35Å; I312-V316 PolarHBondContact O-N 2.9Å; I312-N359 WeakPolarHBondContact CD1-OD1 3.43Å; I312-N359 WeakPolarHBondContact CG1-OD1 3.12Å; I312-R362 HydrophobicContact CB-CB 4.41Å; I312-R362 HydrophobicContact CG1-CB 4.18Å; I312-R362 HydrophobicContact CG2-CB 4.26Å; I312-F363 HydrophobicContact CD1-CE2 3.95Å; I312-F363 HydrophobicContact CD1-CZ 4Å; I312-F363 HydrophobicContact CG2-CD1 3.78Å; I312-F363 HydrophobicContact CG2-CD2 4.14Å; I312-F363 HydrophobicContact CG2-CE1 3.85Å; I312-F363 HydrophobicContact CG2-CE2 4.19Å; I312-F363 HydrophobicContact CG2-CG 3.93Å; I312-F363 HydrophobicContact CG2-CZ 4.07Å; I312-T366 HydrophobicContact CG2-CG2 3.94Å |
| 313 | D | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 174.2 | -73 | -13.5 | 0 | 0 | 0 | 110.2 | T58 Q309 V316 M317 T366 N369 M370 | T58-D313 HydrophobicContact CG2-CB 3.83Å; Q309-D313 PolarHBondContact NE2-OD1 3.09Å; Q309-D313 WeakPolarHBondContact O-CB 3.39Å; Q309-D313 PolarHBondContact O-N 3.31Å; D313-V316 PolarHBondContact O-N 2.9Å; D313-M317 VanDerWaalsContact O-CB 3.24Å; D313-M317 WeakPolarHBondContact O-CB 3.16Å; D313-M317 PolarHBondContact O-N 2.85Å; D313-T366 WeakPolarHBondContact OD1-CG2 3.27Å; D313-N369 PolarHBondContact OD2-ND2 3Å; D313-N369 VanDerWaalsContact OD2-ND2 3.11Å; D313-M370 HydrophobicContact CB-CE 3.89Å; D313-M370 HydrophobicContact CB-SD 4.14Å; D313-M370 VanDerWaalsContact O-CE 3.31Å; D313-M370 WeakPolarHBondContact O-CE 3.02Å |
| 314 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.2 | -35.1 | -179.1 | -70.1 | -170.9 | 0 | 0 | 0 | 112.7 | T58 E104 A106 I107 E310 I312 K318 | T58-H314 WeakPolarHBondContact CA-NE2 3.49Å; T58-H314 PolarHBondContact OG1-NE2 3.38Å; E104-H314 PolarHBondContact O-CE1 3.3Å; A106-H314 VanDerWaalsContact CB-ND1 3.26Å; A106-H314 WeakPolarHBondContact CB-ND1 3.24Å; A106-H314 PolarHBondContact N-ND1 3.11Å; I107-H314 HydrophobicContact CB-CB 3.98Å; I107-H314 HydrophobicContact CG1-CB 4.12Å; E310-H314 VanDerWaalsContact O-CB 3.32Å; E310-H314 WeakPolarHBondContact O-CB 3.43Å; E310-H314 PolarHBondContact O-CD2 3.11Å; E310-H314 VanDerWaalsContact O-CG 3.24Å; E310-H314 PolarHBondContact O-N 3.22Å; I312-H314 VanDerWaalsContact C-N 3.34Å; I312-H314 PolarHBondContact O-N 2.88Å; H314-K318 WeakPolarHBondContact O-CG 3.4Å; H314-K318 PolarHBondContact O-N 2.89Å; H314-K318 VanDerWaalsContact O-N 3.16Å |
| 315 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.7 | -53.8 | 169.7 | 171.3 | 63 | 0 | 0 | 0 | 110.5 | V262 Y266 L290 L311 I312 M317 K318 L319 F363 | V262-L315 HydrophobicContact CG1-CB 3.86Å; V262-L315 HydrophobicContact CG1-CD2 4.04Å; V262-L315 HydrophobicContact CG1-CG 4.35Å; Y266-L315 HydrophobicContact CD2-CD1 3.84Å; Y266-L315 HydrophobicContact CG-CD1 4.04Å; L290-L315 HydrophobicContact CD1-CD2 4Å; L311-L315 WeakPolarHBondContact O-CB 3.37Å; L311-L315 PolarHBondContact O-N 3.34Å; I312-L315 PolarHBondContact O-N 3.29Å; L315-M317 VanDerWaalsContact C-N 3.27Å; L315-M317 PolarHBondContact O-N 3.41Å; L315-K318 WeakPolarHBondContact O-CB 3.25Å; L315-K318 PolarHBondContact O-N 2.94Å; L315-L319 HydrophobicContact CG-CD1 4.47Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.66Å; L315-L319 VanDerWaalsContact O-N 3.08Å; L315-F363 HydrophobicContact CD2-CE1 4.08Å; L315-F363 HydrophobicContact CD2-CZ 3.84Å |
| 316 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | -179.3 | 164.3 | 0 | 0 | 0 | 0 | 111.3 | I312 D313 K318 L319 R320 F363 T366 M370 P376 | I312-V316 HydrophobicContact CG2-CG2 4.44Å; I312-V316 WeakPolarHBondContact O-CB 3.46Å; I312-V316 WeakPolarHBondContact O-CG2 3.35Å; I312-V316 PolarHBondContact O-N 2.9Å; D313-V316 PolarHBondContact O-N 2.9Å; V316-K318 VanDerWaalsContact C-N 3.27Å; V316-K318 PolarHBondContact O-N 3.3Å; V316-L319 WeakPolarHBondContact O-CA 3.38Å; V316-L319 WeakPolarHBondContact O-CB 3.27Å; V316-L319 PolarHBondContact O-N 3.24Å; V316-R320 HydrophobicContact CG1-CG 4.41Å; V316-R320 WeakPolarHBondContact O-CG 3.44Å; V316-R320 PolarHBondContact O-N 3.18Å; V316-F363 HydrophobicContact CG2-CD1 3.74Å; V316-F363 HydrophobicContact CG2-CE1 3.79Å; V316-T366 HydrophobicContact CB-CG2 4.03Å; V316-T366 HydrophobicContact CG1-CG2 4.21Å; V316-T366 HydrophobicContact CG2-CG2 3.79Å; V316-M370 HydrophobicContact CB-CE 4.02Å; V316-M370 HydrophobicContact CG1-CE 3.75Å; V316-P376 HydrophobicContact CG1-CG 4.3Å; V316-P376 HydrophobicContact CG2-CG 4.21Å |
| 317 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -57.6 | -41.2 | 174.1 | -169.9 | -179.7 | -59.4 | 0 | 0 | 111.4 | T58 L61 W62 L65 I97 D313 L315 R320 M321 M370 | T58-M317 HydrophobicContact CG2-CE 4.34Å; L61-M317 HydrophobicContact CB-CE 3.93Å; L61-M317 HydrophobicContact CB-SD 3.64Å; W62-M317 HydrophobicContact CB-CE 3.78Å; W62-M317 HydrophobicContact CE3-CE 4.38Å; W62-M317 HydrophobicContact CE3-CG 4.17Å; L65-M317 HydrophobicContact CD2-CG 3.71Å; I97-M317 HydrophobicContact CD1-CG 4.2Å; I97-M317 HydrophobicContact CD1-SD 3.48Å; I97-M317 WeakPolarHBondContact CD1-SD 3.11Å; D313-M317 VanDerWaalsContact O-CB 3.24Å; D313-M317 WeakPolarHBondContact O-CB 3.16Å; D313-M317 PolarHBondContact O-N 2.85Å; L315-M317 VanDerWaalsContact C-N 3.27Å; L315-M317 PolarHBondContact O-N 3.41Å; M317-R320 WeakPolarHBondContact O-CB 3.5Å; M317-R320 PolarHBondContact O-N 3.34Å; M317-M321 VanDerWaalsContact O-CG 3.27Å; M317-M321 WeakPolarHBondContact O-CG 3.26Å; M317-M321 PolarHBondContact O-N 2.82Å; M317-M370 HydrophobicContact CB-SD 4.16Å; M317-M370 HydrophobicContact CE-SD 3.65Å |
| 318 | K | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.3 | -35.7 | 173.6 | -66.6 | -49.8 | -171 | -70.9 | 0 | 113.3 | E105 I107 G109 I110 Y266 H314 L315 V316 R320 M321 | E105-K318 WeakPolarHBondContact OE2-CE 3.17Å; E105-K318 IonicContact OE2-NZ 2.88Å; E105-K318 PolarHBondContact OE2-NZ 3.32Å; I107-K318 WeakPolarHBondContact O-CE 3.36Å; I107-K318 PolarHBondContact O-NZ 2.99Å; G109-K318 VanDerWaalsContact O-CD 3.26Å; G109-K318 WeakPolarHBondContact O-CD 3.45Å; G109-K318 WeakPolarHBondContact O-CE 3.09Å; I110-K318 HydrophobicContact CG2-CD 4.24Å; Y266-K318 HydrophobicContact CE1-CB 3.97Å; Y266-K318 HydrophobicContact CE1-CG 3.92Å; Y266-K318 HydrophobicContact CE2-CB 3.78Å; Y266-K318 VanDerWaalsContact CZ-CB 3.48Å; Y266-K318 WeakPolarHBondContact OH-CB 3.36Å; H314-K318 WeakPolarHBondContact O-CG 3.4Å; H314-K318 PolarHBondContact O-N 2.89Å; H314-K318 VanDerWaalsContact O-N 3.16Å; L315-K318 WeakPolarHBondContact O-CB 3.25Å; L315-K318 PolarHBondContact O-N 2.94Å; V316-K318 VanDerWaalsContact C-N 3.27Å; V316-K318 PolarHBondContact O-N 3.3Å; K318-R320 VanDerWaalsContact C-N 3.31Å; K318-M321 HydrophobicContact CD-SD 3.91Å; K318-M321 PolarHBondContact O-N 3.27Å |
| 319 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 174.3 | -55.4 | -178.8 | 0 | 0 | 0 | 111.9 | Y266 Y269 I283 L315 V316 M321 V322 A341 L343 P376 | Y266-L319 HydrophobicContact CD2-CD2 4.4Å; Y266-L319 HydrophobicContact CE2-CD2 4.24Å; Y269-L319 HydrophobicContact CD1-CD2 3.71Å; Y269-L319 HydrophobicContact CE1-CD2 3.43Å; Y269-L319 VanDerWaalsContact CE1-CD2 3.43Å; I283-L319 HydrophobicContact CD1-CD1 3.9Å; I283-L319 HydrophobicContact CD1-CD2 3.88Å; I283-L319 HydrophobicContact CG2-CD1 4.36Å; L315-L319 HydrophobicContact CG-CD1 4.47Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.66Å; L315-L319 VanDerWaalsContact O-N 3.08Å; V316-L319 WeakPolarHBondContact O-CA 3.38Å; V316-L319 WeakPolarHBondContact O-CB 3.27Å; V316-L319 PolarHBondContact O-N 3.24Å; L319-M321 PolarHBondContact O-N 2.92Å; L319-V322 WeakPolarHBondContact O-CG2 3.24Å; L319-V322 PolarHBondContact O-N 2.71Å; L319-A341 HydrophobicContact CB-CB 4.46Å; L319-L343 HydrophobicContact CD1-CD1 4.35Å; L319-P376 HydrophobicContact CB-CB 4.29Å; L319-P376 HydrophobicContact CD1-CB 3.88Å; L319-P376 HydrophobicContact CD1-CG 4.07Å |
| 320 | R | 98 | Very high | 96.7 | Very high | 13 Ų | 13 | 10.9 Ų | 10.9 | 5% | 0.049 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.4 | 173.4 | -71.7 | 176 | -177 | -159.9 | 4.1 | 114.2 | W62 V316 M317 K318 T366 M370 G371 S373 E375 | W62-R320 VanDerWaalsContact CH2-NH1 3.33Å; V316-R320 HydrophobicContact CG1-CG 4.41Å; V316-R320 WeakPolarHBondContact O-CG 3.44Å; V316-R320 PolarHBondContact O-N 3.18Å; M317-R320 WeakPolarHBondContact O-CB 3.5Å; M317-R320 PolarHBondContact O-N 3.34Å; K318-R320 VanDerWaalsContact C-N 3.31Å; R320-T366 PolarHBondContact NH2-O 2.93Å; R320-T366 VanDerWaalsContact NH2-O 3.13Å; R320-M370 VanDerWaalsContact NH1-CB 3.34Å; R320-M370 PolarHBondContact NH1-O 3.44Å; R320-G371 PolarHBondContact NH1-O 3.13Å; R320-G371 PolarHBondContact NH2-O 2.85Å; R320-G371 VanDerWaalsContact NH2-O 3.1Å; R320-S373 VanDerWaalsContact NE-CB 3.32Å; R320-S373 PolarHBondContact NE-OG 3.06Å; R320-E375 WeakPolarHBondContact CG-O 3.19Å; R320-E375 PolarHBondContact NE-O 2.91Å |
| 321 | M | 98.2 | Very high | 96.2 | Very high | 10 Ų | 10 | 12.2 Ų | 12.2 | 5% | 0.049 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -4.3 | -178.3 | -68.6 | 170.2 | 67.5 | 0 | 0 | 113.9 | L65 I97 I110 P115 L116 M317 K318 L319 K323 | L65-M321 HydrophobicContact CD1-CE 4.46Å; L65-M321 HydrophobicContact CD1-CG 3.72Å; L65-M321 HydrophobicContact CD1-SD 4.25Å; L65-M321 HydrophobicContact CD2-CG 3.52Å; L65-M321 HydrophobicContact CD2-SD 3.95Å; L65-M321 HydrophobicContact CG-CG 4.3Å; I97-M321 HydrophobicContact CD1-SD 4Å; I97-M321 HydrophobicContact CG1-CE 3.79Å; I97-M321 HydrophobicContact CG1-SD 3.76Å; I110-M321 HydrophobicContact CG2-CE 3.64Å; P115-M321 HydrophobicContact CB-CE 3.38Å; L116-M321 HydrophobicContact CD2-CB 4.11Å; L116-M321 HydrophobicContact CD2-CG 4.24Å; M317-M321 VanDerWaalsContact O-CG 3.27Å; M317-M321 WeakPolarHBondContact O-CG 3.26Å; M317-M321 PolarHBondContact O-N 2.82Å; K318-M321 HydrophobicContact CD-SD 3.91Å; K318-M321 PolarHBondContact O-N 3.27Å; L319-M321 PolarHBondContact O-N 2.92Å; M321-K323 PolarHBondContact O-N 3.21Å |
| 322 | V | 98.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | trans | -67.8 | 130.3 | -178.4 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | Q111 Y269 I273 L319 F324 V339 | Q111-V322 VanDerWaalsContact OE1-CA 3.31Å; Y269-V322 HydrophobicContact CE1-CG2 4.18Å; I273-V322 HydrophobicContact CB-CG1 4.26Å; I273-V322 HydrophobicContact CD1-CB 4.31Å; I273-V322 HydrophobicContact CD1-CG1 3.91Å; I273-V322 HydrophobicContact CD1-CG2 3.49Å; I273-V322 VanDerWaalsContact CD1-CG2 3.49Å; I273-V322 HydrophobicContact CG2-CG1 4.15Å; L319-V322 WeakPolarHBondContact O-CG2 3.24Å; L319-V322 PolarHBondContact O-N 2.71Å; V322-F324 HydrophobicContact CG1-CE2 3.94Å; V322-F324 HydrophobicContact CG1-CZ 4.18Å; V322-V339 HydrophobicContact CB-CG1 3.91Å; V322-V339 HydrophobicContact CB-CG2 4.09Å; V322-V339 HydrophobicContact CG1-CB 4.46Å; V322-V339 HydrophobicContact CG1-CG1 3.52Å; V322-V339 HydrophobicContact CG1-CG2 4.05Å; V322-V339 VanDerWaalsContact O-CG2 3.27Å; V322-V339 WeakPolarHBondContact O-CG2 3.11Å | ||
| 323 | K | 96.8 | Very high | 95 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | trans | -143.4 | 148.5 | -178.7 | -62.7 | -68.2 | -173.1 | 167.1 | 0 | 111 | E72 Q111 L116 R118 M321 D337 | E72-K323 VanDerWaalsContact OE1-CE 3.27Å; E72-K323 WeakPolarHBondContact OE1-CE 3.27Å; E72-K323 IonicContact OE1-NZ 3.7Å; E72-K323 PolarHBondContact OE1-NZ 3.17Å; E72-K323 VanDerWaalsContact OE2-CE 3.3Å; E72-K323 WeakPolarHBondContact OE2-CE 3.31Å; E72-K323 IonicContact OE2-NZ 2.77Å; E72-K323 PolarHBondContact OE2-NZ 3.07Å; Q111-K323 PolarHBondContact NE2-O 3.44Å; Q111-K323 VanDerWaalsContact NE2-O 3.08Å; Q111-K323 PolarHBondContact OE1-O 3.22Å; Q111-K323 VanDerWaalsContact OE1-O 3.13Å; L116-K323 HydrophobicContact CD2-CG 4.19Å; R118-K323 HydrophobicContact CG-CB 3.96Å; M321-K323 PolarHBondContact O-N 3.21Å; K323-D337 WeakPolarHBondContact CD-OD2 3.31Å; K323-D337 IonicContact NZ-OD2 3.81Å; K323-D337 PolarHBondContact NZ-OD2 2.77Å | ||
| 324 | F | 97.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | trans | -131.5 | 141.5 | 175.5 | -67.6 | -67.2 | 0 | 0 | 0 | 111.3 | R118 M121 I273 Q276 N277 M281 V322 R326 V339 | R118-F324 WeakPolarHBondContact CD-O 3.47Å; R118-F324 PolarHBondContact NH1-O 3.06Å; M121-F324 HydrophobicContact CE-CD1 4.16Å; M121-F324 HydrophobicContact CE-CE1 3.86Å; M121-F324 HydrophobicContact SD-CD1 4.25Å; M121-F324 HydrophobicContact SD-CE1 4.23Å; I273-F324 HydrophobicContact CB-CZ 4.04Å; I273-F324 HydrophobicContact CG2-CZ 4.21Å; Q276-F324 WeakPolarHBondContact O-CE1 3.4Å; Q276-F324 WeakPolarHBondContact O-CZ 3.32Å; N277-F324 HydrophobicContact CB-CD1 3.59Å; N277-F324 HydrophobicContact CB-CE1 3.99Å; N277-F324 HydrophobicContact CB-CG 4.13Å; M281-F324 HydrophobicContact CB-CE2 4.48Å; M281-F324 HydrophobicContact CG-CE2 3.74Å; M281-F324 HydrophobicContact CG-CZ 3.75Å; V322-F324 HydrophobicContact CG1-CE2 3.94Å; V322-F324 HydrophobicContact CG1-CZ 4.18Å; F324-R326 PolarHBondContact O-N 3.18Å; F324-V339 HydrophobicContact CE2-CG1 4.34Å | ||
| 325 | A | 95.3 | Very high | 94 | Very high | 21 Ų | 21 | 18.2 Ų | 18.2 | 17% | 0.174 | 10% | 0.1 | C | C | . | . | trans | -66.2 | 123.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | M81 R118 | M81-A325 HydrophobicContact CE-CB 3.54Å; R118-A325 HydrophobicContact CB-CB 4.27Å | ||
| 326 | R | 94.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | trans | -128.7 | 146.6 | -177.9 | -58.7 | -58.7 | -171.9 | -175.3 | 2 | 110.5 | S132 N277 G278 F324 Y330 N331 | S132-R326 PolarHBondContact OG-O 2.7Å; N277-R326 PolarHBondContact O-NH1 3.13Å; G278-R326 PolarHBondContact O-NH2 2.95Å; F324-R326 PolarHBondContact O-N 3.18Å; R326-Y330 HydrophobicContact CB-CD1 3.69Å; R326-Y330 HydrophobicContact CB-CE1 4.38Å; R326-Y330 HydrophobicContact CB-CG 4.13Å; R326-Y330 VanDerWaalsContact CD-CE1 3.48Å; R326-Y330 HydrophobicContact CG-CD1 3.53Å; R326-Y330 HydrophobicContact CG-CE1 3.71Å; R326-Y330 HydrophobicContact CG-CG 4.22Å; R326-Y330 PolarHBondContact NH2-OH 2.88Å; R326-N331 VanDerWaalsContact CB-OD1 3.26Å; R326-N331 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 327 | I | 93 | Very high | 93.1 | Very high | 9 Ų | 9 | 20.6 Ų | 20.6 | 5% | 0.046 | 12% | 0.116 | C | C | . | . | trans | -81.9 | 158.2 | 174.3 | 59.1 | 176.6 | 0 | 0 | 0 | 110.5 | M128 E131 S132 S329 Y330 N331 | M128-I327 HydrophobicContact CB-CG2 3.79Å; M128-I327 HydrophobicContact CG-CD1 3.76Å; M128-I327 HydrophobicContact CG-CG2 4.08Å; M128-I327 VanDerWaalsContact O-CG2 3.31Å; M128-I327 WeakPolarHBondContact O-CG2 3.48Å; E131-I327 HydrophobicContact CB-CG2 4.07Å; E131-I327 HydrophobicContact CG-CG2 4.16Å; S132-I327 WeakPolarHBondContact OG-CG2 3.43Å; S132-I327 PolarHBondContact OG-N 2.75Å; I327-S329 VanDerWaalsContact C-N 3.29Å; I327-S329 WeakPolarHBondContact CD1-OG 3.44Å; I327-S329 PolarHBondContact O-N 2.73Å; I327-Y330 WeakPolarHBondContact O-CB 3.43Å; I327-Y330 PolarHBondContact O-N 3.03Å; I327-N331 PolarHBondContact O-N 2.92Å | ||
| 328 | P | 88.9 | Confident | 92.9 | Very high | 47 Ų | 47 | 21 Ų | 21 | 31% | 0.305 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -53.2 | -42.5 | 179.5 | -28.4 | 36.2 | 0 | 0 | 0 | 113.9 | R135 Y330 N331 E332 | R135-P328 HydrophobicContact CG-CG 4.4Å; P328-Y330 PolarHBondContact O-N 2.89Å; P328-N331 PolarHBondContact O-N 2.89Å; P328-N331 VanDerWaalsContact O-N 3.08Å; P328-E332 PolarHBondContact O-N 2.91Å |
| 329 | S | 89.7 | Confident | 92.7 | Very high | 52 Ų | 52 | 21.1 Ų | 21.1 | 36% | 0.364 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -66.2 | -24.2 | 179.3 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | I327 L333 | I327-S329 VanDerWaalsContact C-N 3.29Å; I327-S329 WeakPolarHBondContact CD1-OG 3.44Å; I327-S329 PolarHBondContact O-N 2.73Å; S329-L333 WeakPolarHBondContact O-CD1 3.45Å; S329-L333 WeakPolarHBondContact O-CG 3.34Å |
| 330 | Y | 92.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 2% | 0.02 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.3 | -46.8 | 171.2 | -179.4 | -80.1 | 0 | 0 | 0 | 109.9 | Y183 A279 R326 I327 P328 E332 L333 F334 | Y183-Y330 AromaticContact CD1-CD2 3.63Å; Y183-Y330 HydrophobicContact CD1-CD2 3.63Å; Y183-Y330 AromaticContact CD1-CE2 3.95Å; Y183-Y330 HydrophobicContact CD1-CE2 3.95Å; Y183-Y330 HydrophobicContact CD2-CD2 4.36Å; Y183-Y330 AromaticContact CD2-CE2 3.84Å; Y183-Y330 HydrophobicContact CD2-CE2 3.84Å; Y183-Y330 HydrophobicContact CE1-CD2 4.18Å; Y183-Y330 HydrophobicContact CE1-CE2 4.37Å; Y183-Y330 HydrophobicContact CE2-CE2 4.31Å; Y183-Y330 AromaticContact CG-CD2 3.75Å; Y183-Y330 HydrophobicContact CG-CD2 3.75Å; Y183-Y330 AromaticContact CG-CE2 3.68Å; Y183-Y330 HydrophobicContact CG-CE2 3.68Å; A279-Y330 WeakPolarHBondContact CA-OH 3.46Å; R326-Y330 HydrophobicContact CB-CD1 3.69Å; R326-Y330 HydrophobicContact CB-CE1 4.38Å; R326-Y330 HydrophobicContact CB-CG 4.13Å; R326-Y330 VanDerWaalsContact CD-CE1 3.48Å; R326-Y330 HydrophobicContact CG-CD1 3.53Å; R326-Y330 HydrophobicContact CG-CE1 3.71Å; R326-Y330 HydrophobicContact CG-CG 4.22Å; R326-Y330 PolarHBondContact NH2-OH 2.88Å; I327-Y330 WeakPolarHBondContact O-CB 3.43Å; I327-Y330 PolarHBondContact O-N 3.03Å; P328-Y330 PolarHBondContact O-N 2.89Å; Y330-E332 PolarHBondContact O-N 3.47Å; Y330-L333 PolarHBondContact O-N 2.79Å; Y330-F334 HydrophobicContact CD1-CB 4.04Å; Y330-F334 HydrophobicContact CD1-CD2 4.01Å; Y330-F334 HydrophobicContact CD1-CG 4.48Å; Y330-F334 AromaticContact CD2-CD2 3.62Å; Y330-F334 HydrophobicContact CD2-CD2 3.62Å; Y330-F334 AromaticContact CD2-CE2 3.97Å; Y330-F334 HydrophobicContact CD2-CE2 3.97Å; Y330-F334 HydrophobicContact CE1-CB 3.57Å; Y330-F334 AromaticContact CE1-CD2 3.82Å; Y330-F334 HydrophobicContact CE1-CD2 3.82Å; Y330-F334 AromaticContact CE1-CG 4Å; Y330-F334 HydrophobicContact CE1-CG 4Å; Y330-F334 AromaticContact CE2-CD2 3.42Å; Y330-F334 HydrophobicContact CE2-CD2 3.42Å; Y330-F334 VanDerWaalsContact CE2-CD2 3.42Å; Y330-F334 AromaticContact CE2-CE2 3.74Å; Y330-F334 HydrophobicContact CE2-CE2 3.74Å; Y330-F334 HydrophobicContact CE2-CG 4.2Å; Y330-F334 AromaticContact CG-CD2 3.9Å; Y330-F334 HydrophobicContact CG-CD2 3.9Å; Y330-F334 AromaticContact CZ-CD2 3.52Å; Y330-F334 AromaticContact CZ-CG 3.84Å; Y330-F334 PolarHBondContact O-N 2.71Å |
| 331 | N | 88.9 | Confident | 92.7 | Very high | 46 Ų | 46 | 20.5 Ų | 20.5 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.8 | -26.7 | -178.8 | -65 | -11.2 | 0 | 0 | 0 | 112.9 | R326 I327 P328 F334 S335 | R326-N331 VanDerWaalsContact CB-OD1 3.26Å; R326-N331 WeakPolarHBondContact CB-OD1 3.43Å; I327-N331 PolarHBondContact O-N 2.92Å; P328-N331 PolarHBondContact O-N 2.89Å; P328-N331 VanDerWaalsContact O-N 3.08Å; N331-F334 CarbonylContact O-C 3.14Å; N331-S335 WeakPolarHBondContact O-CA 3.27Å |
| 332 | E | 86.2 | Confident | 92.7 | Very high | 109 Ų | 109 | 20 Ų | 20 | 51% | 0.509 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -69.4 | -36.3 | 171.1 | -71 | 175.9 | -177.8 | 0 | 0 | 112.8 | P328 Y330 T614 V618 | P328-E332 PolarHBondContact O-N 2.91Å; Y330-E332 PolarHBondContact O-N 3.47Å; E332-T614 WeakPolarHBondContact O-CB 3.2Å; E332-T614 WeakPolarHBondContact O-CG2 3.08Å; E332-V618 HydrophobicContact CB-CG2 4.17Å; E332-V618 WeakPolarHBondContact O-CG2 3.39Å |
| 333 | L | 86.6 | Confident | 92.8 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -83.9 | -26.9 | -179.9 | -72.6 | 164.2 | 0 | 0 | 0 | 113 | S329 Y330 T614 S615 V618 | S329-L333 WeakPolarHBondContact O-CD1 3.45Å; S329-L333 WeakPolarHBondContact O-CG 3.34Å; Y330-L333 PolarHBondContact O-N 2.79Å; L333-T614 WeakPolarHBondContact O-CB 3.44Å; L333-T614 PolarHBondContact O-N 3.07Å; L333-T614 PolarHBondContact O-OG1 3.06Å; L333-S615 WeakPolarHBondContact CD2-OG 3.41Å; L333-V618 HydrophobicContact CD2-CB 3.99Å; L333-V618 HydrophobicContact CD2-CG1 3.94Å; L333-V618 HydrophobicContact CD2-CG2 3.91Å; L333-V618 HydrophobicContact CG-CG2 4.3Å |
| 334 | F | 89.4 | Confident | 92.8 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -137.2 | 79.4 | -172.8 | -56.8 | -74.2 | 0 | 0 | 0 | 109.5 | Y183 Y330 N331 P338 W340 F438 I613 | Y183-F334 AromaticContact CE1-CE2 3.99Å; Y183-F334 HydrophobicContact CE1-CE2 3.99Å; Y183-F334 HydrophobicContact CE2-CE2 4.39Å; Y183-F334 HydrophobicContact CE2-CZ 4.48Å; Y183-F334 AromaticContact CZ-CE2 3.78Å; Y183-F334 AromaticContact CZ-CZ 3.98Å; Y330-F334 HydrophobicContact CD1-CB 4.04Å; Y330-F334 HydrophobicContact CD1-CD2 4.01Å; Y330-F334 HydrophobicContact CD1-CG 4.48Å; Y330-F334 AromaticContact CD2-CD2 3.62Å; Y330-F334 HydrophobicContact CD2-CD2 3.62Å; Y330-F334 AromaticContact CD2-CE2 3.97Å; Y330-F334 HydrophobicContact CD2-CE2 3.97Å; Y330-F334 HydrophobicContact CE1-CB 3.57Å; Y330-F334 AromaticContact CE1-CD2 3.82Å; Y330-F334 HydrophobicContact CE1-CD2 3.82Å; Y330-F334 AromaticContact CE1-CG 4Å; Y330-F334 HydrophobicContact CE1-CG 4Å; Y330-F334 AromaticContact CE2-CD2 3.42Å; Y330-F334 HydrophobicContact CE2-CD2 3.42Å; Y330-F334 VanDerWaalsContact CE2-CD2 3.42Å; Y330-F334 AromaticContact CE2-CE2 3.74Å; Y330-F334 HydrophobicContact CE2-CE2 3.74Å; Y330-F334 HydrophobicContact CE2-CG 4.2Å; Y330-F334 AromaticContact CG-CD2 3.9Å; Y330-F334 HydrophobicContact CG-CD2 3.9Å; Y330-F334 AromaticContact CZ-CD2 3.52Å; Y330-F334 AromaticContact CZ-CG 3.84Å; Y330-F334 PolarHBondContact O-N 2.71Å; N331-F334 CarbonylContact O-C 3.14Å; F334-P338 HydrophobicContact CB-CG 4.06Å; F334-P338 WeakPolarHBondContact O-CD 3.43Å; F334-W340 HydrophobicContact CB-CH2 3.93Å; F334-W340 AromaticContact CD1-CH2 3.47Å; F334-W340 HydrophobicContact CD1-CH2 3.47Å; F334-W340 VanDerWaalsContact CD1-CH2 3.47Å; F334-W340 HydrophobicContact CD1-CZ2 4.06Å; F334-W340 HydrophobicContact CD1-CZ3 4.47Å; F334-W340 HydrophobicContact CE1-CH2 4.32Å; F334-W340 AromaticContact CG-CH2 3.98Å; F334-W340 HydrophobicContact CG-CH2 3.98Å; F334-F438 HydrophobicContact CZ-CE1 4.43Å; F334-I613 HydrophobicContact CD1-CB 4.24Å; F334-I613 HydrophobicContact CD1-CG1 4.32Å; F334-I613 HydrophobicContact CD1-CG2 3.8Å; F334-I613 HydrophobicContact CE1-CG1 4.4Å |
| 335 | S | 85.5 | Confident | 92.9 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 5% | 0.049 | 11% | 0.107 | C | C | . | . | trans | -78.1 | 152.7 | -172 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | N331 P338 T614 Y739 V741 Q750 | N331-S335 WeakPolarHBondContact O-CA 3.27Å; S335-P338 WeakPolarHBondContact O-CD 3.41Å; S335-T614 WeakPolarHBondContact CB-OG1 3.4Å; S335-T614 PolarHBondContact N-OG1 3.34Å; S335-T614 WeakPolarHBondContact OG-CG2 3.19Å; S335-T614 PolarHBondContact OG-OG1 2.84Å; S335-Y739 WeakPolarHBondContact O-CE2 3.46Å; S335-Y739 PolarHBondContact O-OH 2.89Å; S335-Y739 PolarHBondContact OG-OH 2.56Å; S335-V741 WeakPolarHBondContact O-CG1 3.43Å; S335-Q750 VanDerWaalsContact CB-NE2 3.29Å; S335-Q750 VanDerWaalsContact CB-OE1 3.29Å | ||
| 336 | G | 87.5 | Confident | 93.1 | Very high | 12 Ų | 12 | 17.5 Ų | 17.5 | 12% | 0.124 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 82.5 | 26.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 337 | D | 91.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 17 Ų | 17 | 21% | 0.214 | 10% | 0.097 | C | C | . | . | trans | 50.6 | 48.6 | 179.3 | -161 | 38.6 | 0 | 0 | 0 | 114.9 | R118 K323 | R118-D337 IonicContact CZ-OD1 3.29Å; R118-D337 IonicContact CZ-OD2 3.04Å; R118-D337 IonicContact NH1-OD1 3.57Å; R118-D337 PolarHBondContact NH1-OD1 2.83Å; R118-D337 IonicContact NH1-OD2 3.96Å; R118-D337 VanDerWaalsContact NH2-CG 3.3Å; R118-D337 IonicContact NH2-OD1 2.75Å; R118-D337 PolarHBondContact NH2-OD1 3.24Å; R118-D337 IonicContact NH2-OD2 3.18Å; R118-D337 PolarHBondContact NH2-OD2 3.34Å; K323-D337 WeakPolarHBondContact CD-OD2 3.31Å; K323-D337 IonicContact NZ-OD2 3.81Å; K323-D337 PolarHBondContact NZ-OD2 2.77Å | ||
| 338 | P | 94.7 | Very high | 93.6 | Very high | 7 Ų | 7 | 16.9 Ų | 16.9 | 5% | 0.045 | 10% | 0.097 | C | C | . | . | trans | -73.7 | 148.8 | -171.7 | 31 | -36 | 0 | 0 | 0 | 113.3 | F334 S335 W340 Y739 | F334-P338 HydrophobicContact CB-CG 4.06Å; F334-P338 WeakPolarHBondContact O-CD 3.43Å; S335-P338 WeakPolarHBondContact O-CD 3.41Å; P338-W340 HydrophobicContact CB-CD2 4.06Å; P338-W340 HydrophobicContact CB-CE3 3.91Å; P338-W340 HydrophobicContact CB-CH2 3.62Å; P338-W340 HydrophobicContact CB-CZ2 3.72Å; P338-W340 HydrophobicContact CB-CZ3 3.7Å; P338-W340 HydrophobicContact CG-CE3 4.29Å; P338-W340 HydrophobicContact CG-CH2 3.23Å; P338-W340 HydrophobicContact CG-CZ2 3.68Å; P338-W340 HydrophobicContact CG-CZ3 3.57Å; P338-Y739 HydrophobicContact CB-CD2 3.78Å; P338-Y739 HydrophobicContact CB-CE2 3.6Å; P338-Y739 HydrophobicContact CG-CE2 4.02Å | ||
| 339 | V | 96.2 | Very high | 94 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.024 | 8% | 0.084 | C | C | . | . | trans | -115.9 | -31.2 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | A280 M281 V322 F324 A341 E375 | A280-V339 WeakPolarHBondContact CA-O 3.39Å; M281-V339 HydrophobicContact CB-CG1 4.41Å; M281-V339 PolarHBondContact N-O 3.34Å; V322-V339 HydrophobicContact CB-CG1 3.91Å; V322-V339 HydrophobicContact CB-CG2 4.09Å; V322-V339 HydrophobicContact CG1-CB 4.46Å; V322-V339 HydrophobicContact CG1-CG1 3.52Å; V322-V339 HydrophobicContact CG1-CG2 4.05Å; V322-V339 VanDerWaalsContact O-CG2 3.27Å; V322-V339 WeakPolarHBondContact O-CG2 3.11Å; F324-V339 HydrophobicContact CE2-CG1 4.34Å; V339-A341 HydrophobicContact CG1-CB 4.15Å; V339-E375 HydrophobicContact CB-CG 4.44Å; V339-E375 PolarHBondContact N-OE1 2.74Å | ||
| 340 | W | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | trans | 50.8 | 56.8 | -166.9 | -56.1 | -91.6 | 0 | 0 | 0 | 111.2 | A279 A280 M281 S282 F334 P338 T342 E375 C425 I613 Y739 | A279-W340 WeakPolarHBondContact O-CZ3 3.48Å; A280-W340 HydrophobicContact CB-CB 3.68Å; A280-W340 HydrophobicContact CB-CD2 4.16Å; A280-W340 HydrophobicContact CB-CE3 4.07Å; A280-W340 HydrophobicContact CB-CG 4.05Å; M281-W340 CarbonylContact C-O 3.52Å; M281-W340 VanDerWaalsContact C-O 3.32Å; S282-W340 WeakPolarHBondContact CA-O 3.49Å; S282-W340 PolarHBondContact N-O 3.36Å; S282-W340 PolarHBondContact OG-O 2.99Å; F334-W340 HydrophobicContact CB-CH2 3.93Å; F334-W340 AromaticContact CD1-CH2 3.47Å; F334-W340 HydrophobicContact CD1-CH2 3.47Å; F334-W340 VanDerWaalsContact CD1-CH2 3.47Å; F334-W340 HydrophobicContact CD1-CZ2 4.06Å; F334-W340 HydrophobicContact CD1-CZ3 4.47Å; F334-W340 HydrophobicContact CE1-CH2 4.32Å; F334-W340 AromaticContact CG-CH2 3.98Å; F334-W340 HydrophobicContact CG-CH2 3.98Å; P338-W340 HydrophobicContact CB-CD2 4.06Å; P338-W340 HydrophobicContact CB-CE3 3.91Å; P338-W340 HydrophobicContact CB-CH2 3.62Å; P338-W340 HydrophobicContact CB-CZ2 3.72Å; P338-W340 HydrophobicContact CB-CZ3 3.7Å; P338-W340 HydrophobicContact CG-CE3 4.29Å; P338-W340 HydrophobicContact CG-CH2 3.23Å; P338-W340 HydrophobicContact CG-CZ2 3.68Å; P338-W340 HydrophobicContact CG-CZ3 3.57Å; W340-T342 PolarHBondContact O-N 3.07Å; W340-T342 PolarHBondContact O-OG1 2.93Å; W340-E375 PolarHBondContact N-OE1 2.82Å; W340-C425 VanDerWaalsContact CD1-SG 3.55Å; W340-C425 PolarHBondContact NE1-SG 3.27Å; W340-I613 HydrophobicContact CZ2-CD1 3.89Å; W340-I613 HydrophobicContact CZ2-CG1 4.23Å; W340-I613 HydrophobicContact CZ2-CG2 4.03Å; W340-Y739 HydrophobicContact CZ2-CD1 4.42Å; W340-Y739 HydrophobicContact CZ2-CE1 4.46Å; W340-Y739 HydrophobicContact CZ2-CG 4.48Å; W340-Y739 VanDerWaalsContact NE1-CB 3.33Å; W340-Y739 AromaticContact NE1-CD1 3.72Å; W340-Y739 AromaticContact NE1-CG 3.43Å | ||
| 341 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -72.4 | 52.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | M281 L319 V339 L343 E375 P376 N377 | M281-A341 WeakPolarHBondContact O-CA 3.47Å; L319-A341 HydrophobicContact CB-CB 4.46Å; V339-A341 HydrophobicContact CG1-CB 4.15Å; A341-L343 PolarHBondContact O-N 2.95Å; A341-E375 PolarHBondContact N-OE2 2.85Å; A341-P376 HydrophobicContact CB-CB 4.34Å; A341-P376 WeakPolarHBondContact O-CA 3.47Å; A341-P376 WeakPolarHBondContact O-CB 2.98Å; A341-N377 PolarHBondContact O-N 3.35Å | ||
| 342 | T | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -63.9 | 125.9 | -168.4 | -50.1 | 0 | 0 | 0 | 0 | 110.3 | S282 I283 G284 W340 N377 T379 I422 C424 | S282-T342 WeakPolarHBondContact OG-CB 3.31Å; S282-T342 PolarHBondContact OG-OG1 3.24Å; I283-T342 WeakPolarHBondContact CG2-O 3.48Å; I283-T342 PolarHBondContact N-O 3.31Å; I283-T342 VanDerWaalsContact N-O 3.16Å; G284-T342 PolarHBondContact N-O 3.5Å; W340-T342 PolarHBondContact O-N 3.07Å; W340-T342 PolarHBondContact O-OG1 2.93Å; T342-N377 WeakPolarHBondContact CA-O 2.94Å; T342-N377 HydrophobicContact CG2-CB 4.4Å; T342-N377 WeakPolarHBondContact CG2-O 3.47Å; T342-N377 PolarHBondContact OG1-ND2 2.92Å; T342-T379 WeakPolarHBondContact CG2-OG1 3.41Å; T342-I422 HydrophobicContact CG2-CB 4.05Å; T342-I422 HydrophobicContact CG2-CG2 3.97Å; T342-I422 WeakPolarHBondContact CG2-O 3.33Å; T342-C424 PolarHBondContact OG1-O 3.05Å | ||
| 343 | L | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 109.5 | -177.2 | -165 | 161.1 | 0 | 0 | 0 | 108.1 | I283 G284 V286 L319 A341 I345 F363 P376 N377 L378 T379 | I283-L343 HydrophobicContact CG2-CB 3.67Å; I283-L343 HydrophobicContact CG2-CD1 3.92Å; I283-L343 HydrophobicContact CG2-CG 3.8Å; G284-L343 WeakPolarHBondContact O-CA 3.49Å; V286-L343 HydrophobicContact CG2-CD1 3.82Å; V286-L343 HydrophobicContact CG2-CD2 4.46Å; V286-L343 HydrophobicContact CG2-CG 4.01Å; L319-L343 HydrophobicContact CD1-CD1 4.35Å; A341-L343 PolarHBondContact O-N 2.95Å; L343-I345 HydrophobicContact CD2-CG2 3.26Å; L343-F363 HydrophobicContact CD1-CD1 3.64Å; L343-F363 HydrophobicContact CD1-CE1 3.25Å; L343-F363 HydrophobicContact CD1-CG 4.45Å; L343-F363 HydrophobicContact CD1-CZ 3.8Å; L343-F363 HydrophobicContact CD2-CD1 4.29Å; L343-F363 HydrophobicContact CD2-CE1 4.45Å; L343-F363 HydrophobicContact CD2-CG 4.35Å; L343-P376 HydrophobicContact CB-CB 4.25Å; L343-N377 PolarHBondContact N-O 2.85Å; L343-N377 VanDerWaalsContact N-O 3.16Å; L343-L378 HydrophobicContact CB-CD2 4.32Å; L343-L378 HydrophobicContact CD2-CD2 4.33Å; L343-T379 PolarHBondContact O-N 3.4Å |
| 344 | S | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 127.9 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | G284 T379 I422 | G284-S344 PolarHBondContact O-N 3.03Å; G284-S344 VanDerWaalsContact O-N 3.09Å; S344-T379 WeakPolarHBondContact CA-O 3.43Å; S344-I422 PolarHBondContact OG-N 2.76Å |
| 345 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 161.6 | 179.3 | 61.3 | 177.2 | 0 | 0 | 0 | 111 | L343 D360 F363 L364 T379 V380 L381 F390 | L343-I345 HydrophobicContact CD2-CG2 3.26Å; I345-D360 WeakPolarHBondContact CA-OD1 3.44Å; I345-D360 HydrophobicContact CB-CB 4.34Å; I345-D360 VanDerWaalsContact CB-OD1 3.31Å; I345-D360 WeakPolarHBondContact CB-OD1 3.43Å; I345-F363 HydrophobicContact CG2-CB 4.38Å; I345-L364 HydrophobicContact CD1-CD1 4.21Å; I345-L364 HydrophobicContact CD1-CD2 3.68Å; I345-L364 HydrophobicContact CD1-CG 3.71Å; I345-T379 PolarHBondContact N-O 2.65Å; I345-V380 HydrophobicContact CD1-CG2 3.89Å; I345-V380 HydrophobicContact CG1-CG2 4.04Å; I345-L381 WeakPolarHBondContact O-CB 3.44Å; I345-L381 PolarHBondContact O-N 3.21Å; I345-F390 HydrophobicContact CD1-CZ 4.2Å; I345-F390 HydrophobicContact CG1-CZ 4.49Å |
| 346 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.9 | -134.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R285 L355 V356 D360 L386 F390 | R285-A346 PolarHBondContact NH2-O 2.82Å; A346-L355 WeakPolarHBondContact O-CB 3.49Å; A346-V356 HydrophobicContact CB-CG2 3.55Å; A346-D360 PolarHBondContact N-OD1 3.39Å; A346-L386 HydrophobicContact CB-CD2 4.16Å; A346-F390 HydrophobicContact CB-CD1 4.1Å; A346-F390 HydrophobicContact CB-CE1 3.32Å; A346-F390 HydrophobicContact CB-CZ 3.6Å |
| 347 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | 80.2 | -176.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T354 L355 L381 D409 | G347-T354 PolarHBondContact O-OG1 2.97Å; G347-L355 PolarHBondContact O-N 2.95Å; G347-L381 VanDerWaalsContact CA-O 3.25Å; G347-L381 WeakPolarHBondContact CA-O 3.43Å; G347-L381 PolarHBondContact N-O 3.17Å; G347-D409 WeakPolarHBondContact CA-OD2 3.28Å | ||
| 348 | M | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 4% | 0.039 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 154 | 175.4 | -43.1 | -68.8 | -71 | 0 | 0 | 111.1 | R385 L386 D409 R413 | M348-R385 HydrophobicContact CE-CB 3.97Å; M348-R385 WeakPolarHBondContact CE-O 3.46Å; M348-R385 HydrophobicContact SD-CB 4.49Å; M348-L386 HydrophobicContact SD-CD2 3.8Å; M348-L386 HydrophobicContact SD-CG 4.43Å; M348-D409 PolarHBondContact N-OD2 3.02Å; M348-R413 VanDerWaalsContact CB-NH1 3.3Å; M348-R413 WeakPolarHBondContact O-CD 3.37Å |
| 349 | G | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | trans | -77.8 | 157.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D351 G352 R353 | G349-D351 PolarHBondContact O-N 3.26Å; G349-G352 PolarHBondContact O-N 3.28Å; G349-R353 PolarHBondContact N-O 3.32Å | ||
| 350 | M | 97.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 18.1 Ų | 18.1 | 48% | 0.478 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.8 | 170 | -68.3 | -60.2 | -71.4 | 0 | 0 | 112.6 | G352 R413 L417 D418 | M350-G352 VanDerWaalsContact C-N 3.34Å; M350-R413 HydrophobicContact SD-CG 3.62Å; M350-L417 HydrophobicContact CE-CD2 4.33Å; M350-D418 WeakPolarHBondContact CB-OD2 3.26Å; M350-D418 HydrophobicContact CG-CB 3.94Å; M350-D418 VanDerWaalsContact CG-OD2 3.26Å; M350-D418 WeakPolarHBondContact CG-OD2 3.37Å; M350-D418 PolarHBondContact N-OD2 3.24Å |
| 351 | D | 97.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 18 Ų | 18 | 44% | 0.444 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.2 | 176 | 69.4 | 2.8 | 0 | 0 | 0 | 113.9 | G349 R353 | G349-D351 PolarHBondContact O-N 3.26Å; D351-R353 WeakPolarHBondContact OD1-CB 3.5Å; D351-R353 PolarHBondContact OD1-N 3.11Å; D351-R353 IonicContact OD1-NE 3.31Å; D351-R353 IonicContact OD2-CZ 2.82Å; D351-R353 IonicContact OD2-NE 3.73Å; D351-R353 PolarHBondContact OD2-NE 3.43Å; D351-R353 IonicContact OD2-NH2 3.29Å; D351-R353 PolarHBondContact OD2-NH2 3.21Å |
| 352 | G | 97.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 18 Ų | 18 | 42% | 0.423 | 10% | 0.096 | S | C | . | . | S | Bend | trans | 89.8 | -9.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G349 M350 | G349-G352 PolarHBondContact O-N 3.28Å; M350-G352 VanDerWaalsContact C-N 3.34Å |
| 353 | R | 98.6 | Very high | 98.7 | Very high | 94 Ų | 94 | 18 Ų | 18 | 36% | 0.355 | 10% | 0.096 | S | C | . | . | trans | -72.6 | 150.5 | 172.5 | -65 | -177 | -66.9 | 156.9 | 0.1 | 110 | Q38 Y41 P43 G349 D351 | Q38-R353 PolarHBondContact O-NH2 3.07Å; Q38-R353 VanDerWaalsContact O-NH2 3.16Å; Y41-R353 VanDerWaalsContact OH-CB 3.26Å; Y41-R353 WeakPolarHBondContact OH-CB 3.49Å; P43-R353 HydrophobicContact CG-CB 4.43Å; G349-R353 PolarHBondContact N-O 3.32Å; D351-R353 WeakPolarHBondContact OD1-CB 3.5Å; D351-R353 PolarHBondContact OD1-N 3.11Å; D351-R353 IonicContact OD1-NE 3.31Å; D351-R353 IonicContact OD2-CZ 2.82Å; D351-R353 IonicContact OD2-NE 3.73Å; D351-R353 PolarHBondContact OD2-NE 3.43Å; D351-R353 IonicContact OD2-NH2 3.29Å; D351-R353 PolarHBondContact OD2-NH2 3.21Å | ||
| 354 | T | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -65.5 | 148.6 | 167.5 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | Y41 P43 E45 G347 V356 P387 | Y41-T354 WeakPolarHBondContact CE2-O 3.42Å; Y41-T354 PolarHBondContact OH-O 3.49Å; P43-T354 HydrophobicContact CB-CG2 3.94Å; E45-T354 HydrophobicContact CG-CG2 4.48Å; G347-T354 PolarHBondContact O-OG1 2.97Å; T354-V356 VanDerWaalsContact C-N 3.35Å; T354-V356 HydrophobicContact CG2-CB 4.07Å; T354-V356 VanDerWaalsContact OG1-CB 3.3Å; T354-V356 WeakPolarHBondContact OG1-CB 3.5Å; T354-V356 VanDerWaalsContact OG1-CG2 3.26Å; T354-V356 WeakPolarHBondContact OG1-CG2 3.28Å; T354-V356 PolarHBondContact OG1-N 3.39Å; T354-P387 HydrophobicContact CG2-CG 3.8Å |
| 355 | L | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | trans | -93.6 | 2.3 | 165.8 | -78.8 | 167.1 | 0 | 0 | 0 | 112.1 | I37 Y41 T288 A346 G347 T357 D418 | I37-L355 HydrophobicContact CG2-CD2 4.19Å; Y41-L355 HydrophobicContact CD1-CD2 4.33Å; Y41-L355 HydrophobicContact CD2-CD2 4.24Å; Y41-L355 HydrophobicContact CE1-CD2 3.94Å; Y41-L355 HydrophobicContact CE2-CD2 3.87Å; Y41-L355 HydrophobicContact CG-CD2 4.44Å; T288-L355 HydrophobicContact CG2-CD2 4.06Å; T288-L355 PolarHBondContact OG1-O 3.28Å; A346-L355 WeakPolarHBondContact O-CB 3.49Å; G347-L355 PolarHBondContact O-N 2.95Å; L355-T357 PolarHBondContact O-N 2.83Å; L355-D418 HydrophobicContact CD1-CB 4.12Å; L355-D418 VanDerWaalsContact CD1-O 3.32Å; L355-D418 WeakPolarHBondContact CD1-O 3.38Å | ||
| 356 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -60.7 | 132.6 | 168.6 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | P43 Y44 A346 T354 D360 F361 L386 P387 F390 | P43-V356 WeakPolarHBondContact CA-O 3.31Å; Y44-V356 PolarHBondContact N-O 3.34Å; Y44-V356 WeakPolarHBondContact O-CG1 3.49Å; A346-V356 HydrophobicContact CB-CG2 3.55Å; T354-V356 VanDerWaalsContact C-N 3.35Å; T354-V356 HydrophobicContact CG2-CB 4.07Å; T354-V356 VanDerWaalsContact OG1-CB 3.3Å; T354-V356 WeakPolarHBondContact OG1-CB 3.5Å; T354-V356 VanDerWaalsContact OG1-CG2 3.26Å; T354-V356 WeakPolarHBondContact OG1-CG2 3.28Å; T354-V356 PolarHBondContact OG1-N 3.39Å; V356-D360 WeakPolarHBondContact CA-OD2 3.47Å; V356-F361 HydrophobicContact CG1-CD2 4.5Å; V356-F361 HydrophobicContact CG1-CE2 3.93Å; V356-L386 HydrophobicContact CG2-CD2 3.66Å; V356-P387 HydrophobicContact CB-CG 4.35Å; V356-F390 HydrophobicContact CG1-CB 3.99Å; V356-F390 HydrophobicContact CG1-CD2 3.9Å; V356-F390 HydrophobicContact CG1-CG 3.88Å; V356-F390 HydrophobicContact CG2-CB 4.39Å; V356-F390 HydrophobicContact CG2-CD1 3.83Å; V356-F390 HydrophobicContact CG2-CD2 4.45Å; V356-F390 HydrophobicContact CG2-CE1 4.26Å; V356-F390 HydrophobicContact CG2-CG 3.94Å | ||
| 357 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -131.6 | 171.2 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | Y41 T288 D291 L355 N359 D360 | Y41-T357 HydrophobicContact CD2-CG2 4.05Å; T288-T357 HydrophobicContact CG2-CG2 3.71Å; D291-T357 HydrophobicContact CB-CG2 4.07Å; D291-T357 WeakPolarHBondContact OD2-CB 3.32Å; L355-T357 PolarHBondContact O-N 2.83Å; T357-N359 PolarHBondContact O-N 3.12Å; T357-N359 PolarHBondContact OG1-N 2.94Å; T357-D360 PolarHBondContact N-OD2 3.29Å; T357-D360 PolarHBondContact O-N 3.36Å; T357-D360 PolarHBondContact OG1-OD2 3.28Å | ||
| 358 | K | 98.9 | Very high | 98.6 | Very high | 44 Ų | 44 | 22.4 Ų | 22.4 | 19% | 0.191 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.1 | -33.4 | 171.6 | -75.6 | -170 | 166.3 | -164.4 | 0 | 112.1 | Y44 F50 D360 F361 R362 | Y44-K358 HydrophobicContact CD1-CG 4.02Å; Y44-K358 HydrophobicContact CD2-CD 4.49Å; Y44-K358 HydrophobicContact CD2-CG 3.79Å; Y44-K358 HydrophobicContact CE1-CG 4.29Å; Y44-K358 HydrophobicContact CE2-CG 4.08Å; Y44-K358 HydrophobicContact CG-CG 3.76Å; F50-K358 HydrophobicContact CD2-CD 3.91Å; F50-K358 HydrophobicContact CD2-CG 4.35Å; F50-K358 HydrophobicContact CE1-CB 4.37Å; F50-K358 HydrophobicContact CE1-CD 4.5Å; F50-K358 HydrophobicContact CE1-CG 4.01Å; F50-K358 HydrophobicContact CE2-CB 3.67Å; F50-K358 HydrophobicContact CE2-CD 3.76Å; F50-K358 HydrophobicContact CE2-CG 3.8Å; F50-K358 HydrophobicContact CG-CD 4.34Å; F50-K358 HydrophobicContact CZ-CB 3.52Å; F50-K358 HydrophobicContact CZ-CD 4.07Å; F50-K358 HydrophobicContact CZ-CG 3.6Å; F50-K358 WeakPolarHBondContact CZ-O 3.42Å; K358-D360 VanDerWaalsContact C-N 3.27Å; K358-D360 PolarHBondContact O-N 3Å; K358-F361 WeakPolarHBondContact O-CB 3.29Å; K358-F361 PolarHBondContact O-N 2.73Å; K358-R362 WeakPolarHBondContact O-CG 3.24Å; K358-R362 PolarHBondContact O-N 2.77Å |
| 359 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.4 | -28.6 | -178.9 | -140.2 | 36.8 | 0 | 0 | 0 | 113.6 | S287 D291 I294 I312 T357 F361 R362 F363 | S287-N359 PolarHBondContact O-ND2 3.04Å; D291-N359 HydrophobicContact CB-CB 3.64Å; D291-N359 WeakPolarHBondContact OD1-CB 3.37Å; D291-N359 PolarHBondContact OD1-N 3.49Å; I294-N359 WeakPolarHBondContact CD1-OD1 3.48Å; I312-N359 WeakPolarHBondContact CD1-OD1 3.43Å; I312-N359 WeakPolarHBondContact CG1-OD1 3.12Å; T357-N359 PolarHBondContact O-N 3.12Å; T357-N359 PolarHBondContact OG1-N 2.94Å; N359-F361 VanDerWaalsContact C-N 3.29Å; N359-F361 PolarHBondContact O-N 3.31Å; N359-R362 PolarHBondContact O-N 3.17Å; N359-R362 VanDerWaalsContact O-N 3.13Å; N359-R362 PolarHBondContact OD1-NH1 3.5Å; N359-F363 WeakPolarHBondContact ND2-CE2 3.32Å; N359-F363 VanDerWaalsContact O-CD2 3.25Å; N359-F363 WeakPolarHBondContact O-CD2 3.3Å; N359-F363 PolarHBondContact O-N 3.42Å |
| 360 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64 | -37.9 | 175.3 | -59.9 | -68.1 | 0 | 0 | 0 | 111.1 | S287 I345 A346 V356 T357 K358 L364 F390 | S287-D360 VanDerWaalsContact CB-OD1 3.24Å; S287-D360 WeakPolarHBondContact CB-OD1 3.45Å; S287-D360 WeakPolarHBondContact OG-CA 3.4Å; S287-D360 VanDerWaalsContact OG-CG 3.23Å; S287-D360 PolarHBondContact OG-N 3.35Å; S287-D360 PolarHBondContact OG-OD1 2.66Å; I345-D360 WeakPolarHBondContact CA-OD1 3.44Å; I345-D360 HydrophobicContact CB-CB 4.34Å; I345-D360 VanDerWaalsContact CB-OD1 3.31Å; I345-D360 WeakPolarHBondContact CB-OD1 3.43Å; A346-D360 PolarHBondContact N-OD1 3.39Å; V356-D360 WeakPolarHBondContact CA-OD2 3.47Å; T357-D360 PolarHBondContact N-OD2 3.29Å; T357-D360 PolarHBondContact O-N 3.36Å; T357-D360 PolarHBondContact OG1-OD2 3.28Å; K358-D360 VanDerWaalsContact C-N 3.27Å; K358-D360 PolarHBondContact O-N 3Å; D360-L364 WeakPolarHBondContact O-CG 3.26Å; D360-L364 PolarHBondContact O-N 3.19Å; D360-F390 HydrophobicContact CB-CD2 4.38Å; D360-F390 HydrophobicContact CB-CE2 3.63Å; D360-F390 HydrophobicContact CB-CZ 4.16Å |
| 361 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 169.4 | -69.7 | -102.4 | 0 | 0 | 0 | 111.4 | Y44 G46 A48 F50 L51 V356 K358 N359 F363 L364 H365 G389 F390 Y393 | Y44-F361 AromaticContact CD1-CD2 4Å; Y44-F361 HydrophobicContact CD1-CD2 4Å; Y44-F361 AromaticContact CD1-CE2 3.59Å; Y44-F361 HydrophobicContact CD1-CE2 3.59Å; Y44-F361 HydrophobicContact CD1-CZ 4.37Å; Y44-F361 HydrophobicContact CE1-CD2 4.19Å; Y44-F361 AromaticContact CE1-CE2 3.79Å; Y44-F361 HydrophobicContact CE1-CE2 3.79Å; Y44-F361 HydrophobicContact CE1-CZ 4.19Å; G46-F361 WeakPolarHBondContact O-CZ 3.05Å; A48-F361 HydrophobicContact CB-CD1 3.78Å; A48-F361 HydrophobicContact CB-CE1 3.97Å; F50-F361 HydrophobicContact CE1-CB 4.08Å; F50-F361 HydrophobicContact CE1-CD2 4.31Å; F50-F361 HydrophobicContact CE1-CG 4.08Å; F50-F361 HydrophobicContact CZ-CB 3.82Å; F50-F361 HydrophobicContact CZ-CG 4.28Å; L51-F361 HydrophobicContact CD1-CB 4.32Å; L51-F361 HydrophobicContact CD2-CB 3.97Å; L51-F361 HydrophobicContact CG-CB 4.44Å; V356-F361 HydrophobicContact CG1-CD2 4.5Å; V356-F361 HydrophobicContact CG1-CE2 3.93Å; K358-F361 WeakPolarHBondContact O-CB 3.29Å; K358-F361 PolarHBondContact O-N 2.73Å; N359-F361 VanDerWaalsContact C-N 3.29Å; N359-F361 PolarHBondContact O-N 3.31Å; F361-F363 VanDerWaalsContact C-N 3.29Å; F361-F363 PolarHBondContact O-N 3.44Å; F361-L364 PolarHBondContact O-N 3.41Å; F361-L364 VanDerWaalsContact O-N 3.15Å; F361-H365 WeakPolarHBondContact O-CB 3.41Å; F361-H365 PolarHBondContact O-N 3.49Å; F361-G389 WeakPolarHBondContact CE1-O 3.41Å; F361-F390 HydrophobicContact CD1-CD2 4.48Å; F361-F390 AromaticContact CD2-CD2 3.79Å; F361-F390 HydrophobicContact CD2-CD2 3.79Å; F361-F390 HydrophobicContact CD2-CE2 4.47Å; F361-F390 HydrophobicContact CE1-CB 4.43Å; F361-F390 HydrophobicContact CE1-CD2 4.26Å; F361-F390 HydrophobicContact CE2-CB 3.85Å; F361-F390 AromaticContact CE2-CD2 3.53Å; F361-F390 HydrophobicContact CE2-CD2 3.53Å; F361-F390 HydrophobicContact CE2-CG 4.16Å; F361-F390 HydrophobicContact CG-CD2 4.27Å; F361-F390 VanDerWaalsContact CZ-CA 3.45Å; F361-F390 HydrophobicContact CZ-CB 3.59Å; F361-F390 AromaticContact CZ-CD2 3.8Å; F361-F390 HydrophobicContact CZ-CD2 3.8Å; F361-F390 HydrophobicContact CZ-CG 4.2Å; F361-Y393 HydrophobicContact CB-CD1 4.45Å; F361-Y393 HydrophobicContact CB-CE1 4.33Å; F361-Y393 AromaticContact CD1-CD1 3.34Å; F361-Y393 HydrophobicContact CD1-CD1 3.34Å; F361-Y393 AromaticContact CD1-CE1 3.93Å; F361-Y393 HydrophobicContact CD1-CE1 3.93Å; F361-Y393 AromaticContact CD1-CG 3.87Å; F361-Y393 HydrophobicContact CD1-CG 3.87Å; F361-Y393 AromaticContact CE1-CD1 3.92Å; F361-Y393 HydrophobicContact CE1-CD1 3.92Å; F361-Y393 HydrophobicContact CE1-CG 4.05Å; F361-Y393 HydrophobicContact CG-CD1 4.22Å |
| 362 | R | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.6 | -40 | 178.6 | -63.2 | -170.7 | -165.8 | 95.4 | 5.3 | 112.8 | F50 L51 D291 E305 Q309 I312 K358 N359 H365 T366 | F50-R362 HydrophobicContact CE2-CG 4.41Å; L51-R362 HydrophobicContact CD2-CG 4.13Å; D291-R362 IonicContact OD1-NH1 2.62Å; D291-R362 PolarHBondContact OD1-NH1 2.75Å; E305-R362 IonicContact OE1-CZ 2.71Å; E305-R362 IonicContact OE1-NE 3.48Å; E305-R362 PolarHBondContact OE1-NE 2.79Å; E305-R362 IonicContact OE1-NH2 2.77Å; E305-R362 PolarHBondContact OE1-NH2 3.43Å; E305-R362 IonicContact OE2-CZ 2.73Å; E305-R362 IonicContact OE2-NE 2.66Å; E305-R362 IonicContact OE2-NH2 3.72Å; E305-R362 PolarHBondContact OE2-NH2 2.83Å; Q309-R362 PolarHBondContact NE2-O 3.11Å; Q309-R362 VanDerWaalsContact OE1-CG 3.25Å; I312-R362 HydrophobicContact CB-CB 4.41Å; I312-R362 HydrophobicContact CG1-CB 4.18Å; I312-R362 HydrophobicContact CG2-CB 4.26Å; K358-R362 WeakPolarHBondContact O-CG 3.24Å; K358-R362 PolarHBondContact O-N 2.77Å; N359-R362 PolarHBondContact O-N 3.17Å; N359-R362 VanDerWaalsContact O-N 3.13Å; N359-R362 PolarHBondContact OD1-NH1 3.5Å; R362-H365 PolarHBondContact O-N 3.33Å; R362-T366 WeakPolarHBondContact O-CG2 3.47Å; R362-T366 PolarHBondContact O-N 3.49Å |
| 363 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 176.2 | -88.9 | -73.8 | 0 | 0 | 0 | 112 | V286 L290 I312 L315 V316 L343 I345 N359 F361 H365 T366 L378 | V286-F363 HydrophobicContact CG2-CZ 4.34Å; L290-F363 HydrophobicContact CD1-CZ 4.26Å; I312-F363 HydrophobicContact CD1-CE2 3.95Å; I312-F363 HydrophobicContact CD1-CZ 4Å; I312-F363 HydrophobicContact CG2-CD1 3.78Å; I312-F363 HydrophobicContact CG2-CD2 4.14Å; I312-F363 HydrophobicContact CG2-CE1 3.85Å; I312-F363 HydrophobicContact CG2-CE2 4.19Å; I312-F363 HydrophobicContact CG2-CG 3.93Å; I312-F363 HydrophobicContact CG2-CZ 4.07Å; L315-F363 HydrophobicContact CD2-CE1 4.08Å; L315-F363 HydrophobicContact CD2-CZ 3.84Å; V316-F363 HydrophobicContact CG2-CD1 3.74Å; V316-F363 HydrophobicContact CG2-CE1 3.79Å; L343-F363 HydrophobicContact CD1-CD1 3.64Å; L343-F363 HydrophobicContact CD1-CE1 3.25Å; L343-F363 HydrophobicContact CD1-CG 4.45Å; L343-F363 HydrophobicContact CD1-CZ 3.8Å; L343-F363 HydrophobicContact CD2-CD1 4.29Å; L343-F363 HydrophobicContact CD2-CE1 4.45Å; L343-F363 HydrophobicContact CD2-CG 4.35Å; I345-F363 HydrophobicContact CG2-CB 4.38Å; N359-F363 WeakPolarHBondContact ND2-CE2 3.32Å; N359-F363 VanDerWaalsContact O-CD2 3.25Å; N359-F363 WeakPolarHBondContact O-CD2 3.3Å; N359-F363 PolarHBondContact O-N 3.42Å; F361-F363 VanDerWaalsContact C-N 3.29Å; F361-F363 PolarHBondContact O-N 3.44Å; F363-H365 VanDerWaalsContact C-N 3.33Å; F363-T366 WeakPolarHBondContact O-CB 3.27Å; F363-T366 WeakPolarHBondContact O-CG2 3.17Å; F363-T366 PolarHBondContact O-N 3.25Å; F363-T366 PolarHBondContact O-OG1 2.9Å; F363-L378 HydrophobicContact CB-CD2 4.22Å |
| 364 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.7 | -73.1 | 177.4 | 0 | 0 | 0 | 111.7 | I345 D360 F361 T366 L367 L378 F390 Y393 A394 I397 I404 | I345-L364 HydrophobicContact CD1-CD1 4.21Å; I345-L364 HydrophobicContact CD1-CD2 3.68Å; I345-L364 HydrophobicContact CD1-CG 3.71Å; D360-L364 WeakPolarHBondContact O-CG 3.26Å; D360-L364 PolarHBondContact O-N 3.19Å; F361-L364 PolarHBondContact O-N 3.41Å; F361-L364 VanDerWaalsContact O-N 3.15Å; L364-T366 PolarHBondContact O-N 2.86Å; L364-T366 VanDerWaalsContact O-N 3.12Å; L364-L367 WeakPolarHBondContact O-CB 3.3Å; L364-L367 PolarHBondContact O-N 3.29Å; L364-L378 HydrophobicContact CD2-CD1 4.45Å; L364-F390 HydrophobicContact CD1-CE2 3.68Å; L364-F390 HydrophobicContact CD1-CZ 3.92Å; L364-Y393 HydrophobicContact CB-CD1 4.31Å; L364-Y393 HydrophobicContact CB-CE1 3.78Å; L364-Y393 HydrophobicContact CD1-CD1 3.99Å; L364-Y393 HydrophobicContact CD1-CE1 4.32Å; L364-A394 HydrophobicContact CD1-CB 4.1Å; L364-I397 HydrophobicContact CB-CG1 4.29Å; L364-I397 HydrophobicContact CD2-CG2 4.3Å; L364-I404 HydrophobicContact CD2-CD1 4.07Å; L364-I404 HydrophobicContact CD2-CG2 3.84Å |
| 365 | H | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 6% | 0.06 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.1 | -19.4 | -178.9 | -162.5 | 53.1 | 0 | 0 | 0 | 113.5 | L51 A52 F361 R362 F363 L367 E368 N369 Y393 | L51-H365 HydrophobicContact CD1-CB 3.93Å; L51-H365 HydrophobicContact CD2-CB 3.96Å; L51-H365 HydrophobicContact CG-CB 4.48Å; A52-H365 PolarHBondContact O-CD2 3.4Å; A52-H365 PolarHBondContact O-NE2 2.92Å; F361-H365 WeakPolarHBondContact O-CB 3.41Å; F361-H365 PolarHBondContact O-N 3.49Å; R362-H365 PolarHBondContact O-N 3.33Å; F363-H365 VanDerWaalsContact C-N 3.33Å; H365-L367 PolarHBondContact O-N 2.86Å; H365-L367 VanDerWaalsContact O-N 3.12Å; H365-E368 IonicContact CE1-OE2 3.59Å; H365-E368 PolarHBondContact CE1-OE2 3.22Å; H365-E368 IonicContact CG-OE2 2.73Å; H365-E368 IonicContact ND1-OE2 3.94Å; H365-E368 PolarHBondContact ND1-OE2 3.4Å; H365-E368 WeakPolarHBondContact O-CA 3.46Å; H365-E368 PolarHBondContact O-N 2.68Å; H365-N369 PolarHBondContact CD2-OD1 3.33Å; H365-N369 PolarHBondContact NE2-OD1 2.89Å; H365-N369 VanDerWaalsContact NE2-OD1 3.13Å; H365-N369 PolarHBondContact O-N 2.77Å; H365-Y393 WeakPolarHBondContact CA-OH 3.39Å; H365-Y393 WeakPolarHBondContact CB-OH 3.18Å; H365-Y393 PolarHBondContact ND1-OH 3.5Å; H365-Y393 VanDerWaalsContact ND1-OH 3.07Å |
| 366 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.2 | -21.9 | 171.5 | 70.6 | 0 | 0 | 0 | 0 | 113.5 | I312 D313 V316 R320 R362 F363 L364 E368 M370 | I312-T366 HydrophobicContact CG2-CG2 3.94Å; D313-T366 WeakPolarHBondContact OD1-CG2 3.27Å; V316-T366 HydrophobicContact CB-CG2 4.03Å; V316-T366 HydrophobicContact CG1-CG2 4.21Å; V316-T366 HydrophobicContact CG2-CG2 3.79Å; R320-T366 PolarHBondContact NH2-O 2.93Å; R320-T366 VanDerWaalsContact NH2-O 3.13Å; R362-T366 WeakPolarHBondContact O-CG2 3.47Å; R362-T366 PolarHBondContact O-N 3.49Å; F363-T366 WeakPolarHBondContact O-CB 3.27Å; F363-T366 WeakPolarHBondContact O-CG2 3.17Å; F363-T366 PolarHBondContact O-N 3.25Å; F363-T366 PolarHBondContact O-OG1 2.9Å; L364-T366 PolarHBondContact O-N 2.86Å; L364-T366 VanDerWaalsContact O-N 3.12Å; T366-E368 VanDerWaalsContact C-N 3.34Å; T366-M370 HydrophobicContact CG2-CE 4.09Å; T366-M370 WeakPolarHBondContact O-CB 3.45Å; T366-M370 PolarHBondContact O-N 3.48Å; T366-M370 VanDerWaalsContact O-N 3.09Å |
| 367 | L | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -79.2 | -16.4 | 173.8 | -63.4 | 170 | 0 | 0 | 0 | 113 | L364 H365 G371 L378 I397 T401 I404 | L364-L367 WeakPolarHBondContact O-CB 3.3Å; L364-L367 PolarHBondContact O-N 3.29Å; H365-L367 PolarHBondContact O-N 2.86Å; H365-L367 VanDerWaalsContact O-N 3.12Å; L367-G371 CarbonylContact O-C 3.52Å; L367-G371 WeakPolarHBondContact O-CA 3.49Å; L367-L378 HydrophobicContact CD1-CD1 3.8Å; L367-L378 HydrophobicContact CG-CD1 4.11Å; L367-I397 HydrophobicContact CB-CG2 4.42Å; L367-I397 HydrophobicContact CD1-CG2 3.53Å; L367-T401 HydrophobicContact CB-CG2 4.09Å; L367-I404 HydrophobicContact CD1-CG2 3.57Å |
| 368 | E | 98.1 | Very high | 98.4 | Very high | 73 Ų | 73 | 11.8 Ų | 11.8 | 34% | 0.341 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -91.1 | -55.1 | 168.8 | -68.3 | 177.6 | 125.3 | 0 | 0 | 109.5 | H365 T366 M370 G371 Y393 K396 I397 | H365-E368 IonicContact CE1-OE2 3.59Å; H365-E368 PolarHBondContact CE1-OE2 3.22Å; H365-E368 IonicContact CG-OE2 2.73Å; H365-E368 IonicContact ND1-OE2 3.94Å; H365-E368 PolarHBondContact ND1-OE2 3.4Å; H365-E368 WeakPolarHBondContact O-CA 3.46Å; H365-E368 PolarHBondContact O-N 2.68Å; T366-E368 VanDerWaalsContact C-N 3.34Å; E368-M370 PolarHBondContact O-N 2.97Å; E368-G371 PolarHBondContact O-N 3.23Å; E368-Y393 PolarHBondContact OE2-OH 2.76Å; E368-K396 IonicContact OE1-NZ 3.15Å; E368-K396 PolarHBondContact OE1-NZ 3.13Å; E368-I397 HydrophobicContact CG-CD1 3.75Å |
| 369 | N | 98.2 | Very high | 98.4 | Very high | 15 Ų | 15 | 9.7 Ų | 9.7 | 8% | 0.08 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | -177.1 | -81.1 | 9.3 | 0 | 0 | 0 | 114.3 | A52 P54 Q309 D313 H365 | A52-N369 PolarHBondContact O-ND2 3.02Å; P54-N369 HydrophobicContact CB-CB 4.04Å; P54-N369 WeakPolarHBondContact CD-OD1 3.12Å; P54-N369 HydrophobicContact CG-CB 4.29Å; Q309-N369 WeakPolarHBondContact CG-ND2 3.35Å; D313-N369 PolarHBondContact OD2-ND2 3Å; D313-N369 VanDerWaalsContact OD2-ND2 3.11Å; H365-N369 PolarHBondContact CD2-OD1 3.33Å; H365-N369 PolarHBondContact NE2-OD1 2.89Å; H365-N369 VanDerWaalsContact NE2-OD1 3.13Å; H365-N369 PolarHBondContact O-N 2.77Å |
| 370 | M | 97.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 12.9 | -178.8 | -62.1 | -179.9 | -71.4 | 0 | 0 | 112 | T58 W62 D313 V316 M317 R320 T366 E368 | T58-M370 HydrophobicContact CG2-CG 4Å; T58-M370 HydrophobicContact CG2-SD 4.21Å; W62-M370 HydrophobicContact CB-CG 4.45Å; W62-M370 HydrophobicContact CD2-CB 3.92Å; W62-M370 HydrophobicContact CD2-CG 4.22Å; W62-M370 HydrophobicContact CD2-SD 4.44Å; W62-M370 HydrophobicContact CE3-CB 4.41Å; W62-M370 HydrophobicContact CE3-SD 4.27Å; W62-M370 HydrophobicContact CG-CB 4.13Å; W62-M370 HydrophobicContact CG-CG 4.12Å; W62-M370 HydrophobicContact CZ2-CB 4.34Å; W62-M370 WeakPolarHBondContact CZ2-O 3.48Å; W62-M370 PolarHBondContact NE1-O 3.2Å; D313-M370 HydrophobicContact CB-CE 3.89Å; D313-M370 HydrophobicContact CB-SD 4.14Å; D313-M370 VanDerWaalsContact O-CE 3.31Å; D313-M370 WeakPolarHBondContact O-CE 3.02Å; V316-M370 HydrophobicContact CB-CE 4.02Å; V316-M370 HydrophobicContact CG1-CE 3.75Å; M317-M370 HydrophobicContact CB-SD 4.16Å; M317-M370 HydrophobicContact CE-SD 3.65Å; R320-M370 VanDerWaalsContact NH1-CB 3.34Å; R320-M370 PolarHBondContact NH1-O 3.44Å; T366-M370 HydrophobicContact CG2-CE 4.09Å; T366-M370 WeakPolarHBondContact O-CB 3.45Å; T366-M370 PolarHBondContact O-N 3.48Å; T366-M370 VanDerWaalsContact O-N 3.09Å; E368-M370 PolarHBondContact O-N 2.97Å |
| 371 | G | 96.8 | Very high | 98.4 | Very high | 18 Ų | 18 | 9.7 Ų | 9.7 | 19% | 0.186 | 6% | 0.056 | C | C | . | . | trans | 67.6 | 174 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R320 L367 E368 | R320-G371 PolarHBondContact NH1-O 3.13Å; R320-G371 PolarHBondContact NH2-O 2.85Å; R320-G371 VanDerWaalsContact NH2-O 3.1Å; L367-G371 CarbonylContact O-C 3.52Å; L367-G371 WeakPolarHBondContact O-CA 3.49Å; E368-G371 PolarHBondContact O-N 3.23Å | ||
| 372 | P | 97.5 | Very high | 98.4 | Very high | 36 Ų | 36 | 9.7 Ų | 9.7 | 23% | 0.234 | 6% | 0.056 | C | C | . | . | trans | -58.4 | 145.2 | -178.1 | -24 | 33.6 | 0 | 0 | 0 | 112.4 | T401 | P372-T401 HydrophobicContact CG-CG2 4.11Š| ||
| 373 | S | 97.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 9.7 Ų | 9.7 | 4% | 0.035 | 6% | 0.056 | C | C | . | . | trans | -156.5 | 145.4 | 178.6 | -158 | 0 | 0 | 0 | 0 | 111.2 | R320 E375 | R320-S373 VanDerWaalsContact NE-CB 3.32Å; R320-S373 PolarHBondContact NE-OG 3.06Å; S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact O-N 3.44Å; S373-E375 PolarHBondContact OG-O 3.47Å | ||
| 374 | P | 97.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 11.3 Ų | 11.3 | 10% | 0.104 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -70.8 | -26.2 | 176.3 | 27.7 | -36.1 | 0 | 0 | 0 | 114 | T733 A740 K742 | P374-T733 HydrophobicContact CB-CG2 4.26Å; P374-A740 VanDerWaalsContact CB-C 3.4Å; P374-A740 HydrophobicContact CB-CB 3.79Å; P374-A740 WeakPolarHBondContact CB-O 3Å; P374-K742 HydrophobicContact CG-CG 4.17Å |
| 375 | E | 98 | Very high | 98.3 | Very high | 14 Ų | 14 | 17.4 Ų | 17.4 | 7% | 0.065 | 9% | 0.09 | C | C | . | . | trans | -122.5 | 148.9 | -178 | -61.9 | -68.7 | -179.2 | 0 | 0 | 110.6 | R320 V339 W340 A341 S373 N377 | R320-E375 WeakPolarHBondContact CG-O 3.19Å; R320-E375 PolarHBondContact NE-O 2.91Å; V339-E375 HydrophobicContact CB-CG 4.44Å; V339-E375 PolarHBondContact N-OE1 2.74Å; W340-E375 PolarHBondContact N-OE1 2.82Å; A341-E375 PolarHBondContact N-OE2 2.85Å; S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact O-N 3.44Å; S373-E375 PolarHBondContact OG-O 3.47Å; E375-N377 PolarHBondContact OE2-N 3.49Å; E375-N377 VanDerWaalsContact OE2-N 3.17Å | ||
| 376 | P | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.026 | 9% | 0.089 | C | C | . | . | S | Bend | cis | -59.7 | 148 | -13 | 28.8 | -35 | 0 | 0 | 0 | 111 | V316 L319 A341 L343 L378 | V316-P376 HydrophobicContact CG1-CG 4.3Å; V316-P376 HydrophobicContact CG2-CG 4.21Å; L319-P376 HydrophobicContact CB-CB 4.29Å; L319-P376 HydrophobicContact CD1-CB 3.88Å; L319-P376 HydrophobicContact CD1-CG 4.07Å; A341-P376 HydrophobicContact CB-CB 4.34Å; A341-P376 WeakPolarHBondContact O-CA 3.47Å; A341-P376 WeakPolarHBondContact O-CB 2.98Å; L343-P376 HydrophobicContact CB-CB 4.25Å; P376-L378 HydrophobicContact CG-CD2 4.22Å; P376-L378 HydrophobicContact CG-CG 4.26Å; P376-L378 PolarHBondContact O-N 3.29Å |
| 377 | N | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -68 | 84.4 | 174.4 | -177.7 | 33.2 | 0 | 0 | 0 | 110.3 | A341 T342 L343 E375 T379 Q405 C424 R735 G738 | A341-N377 PolarHBondContact O-N 3.35Å; T342-N377 WeakPolarHBondContact CA-O 2.94Å; T342-N377 HydrophobicContact CG2-CB 4.4Å; T342-N377 WeakPolarHBondContact CG2-O 3.47Å; T342-N377 PolarHBondContact OG1-ND2 2.92Å; L343-N377 PolarHBondContact N-O 2.85Å; L343-N377 VanDerWaalsContact N-O 3.16Å; E375-N377 PolarHBondContact OE2-N 3.49Å; E375-N377 VanDerWaalsContact OE2-N 3.17Å; N377-T379 PolarHBondContact O-N 2.75Å; N377-T379 PolarHBondContact O-OG1 3.29Å; N377-Q405 PolarHBondContact ND2-NE2 3.28Å; N377-C424 PolarHBondContact ND2-O 3.21Å; N377-R735 VanDerWaalsContact OD1-CZ 3.26Å; N377-R735 PolarHBondContact OD1-NH1 2.91Å; N377-R735 PolarHBondContact OD1-NH2 2.79Å; N377-G738 PolarHBondContact ND2-O 3.24Å | ||
| 378 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.8 | -176.9 | -72.4 | 170.3 | 0 | 0 | 0 | 110.3 | L343 F363 L364 L367 P376 I404 Q405 | L343-L378 HydrophobicContact CB-CD2 4.32Å; L343-L378 HydrophobicContact CD2-CD2 4.33Å; F363-L378 HydrophobicContact CB-CD2 4.22Å; L364-L378 HydrophobicContact CD2-CD1 4.45Å; L367-L378 HydrophobicContact CD1-CD1 3.8Å; L367-L378 HydrophobicContact CG-CD1 4.11Å; P376-L378 HydrophobicContact CG-CD2 4.22Å; P376-L378 HydrophobicContact CG-CG 4.26Å; P376-L378 PolarHBondContact O-N 3.29Å; L378-I404 HydrophobicContact CB-CB 4.49Å; L378-I404 HydrophobicContact CB-CG2 3.88Å; L378-I404 HydrophobicContact CD1-CG2 4.29Å; L378-Q405 PolarHBondContact O-N 2.98Å; L378-Q405 VanDerWaalsContact O-N 3.1Å |
| 379 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 108.8 | -173.6 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | T342 L343 S344 I345 N377 L381 Q405 E407 I422 | T342-T379 WeakPolarHBondContact CG2-OG1 3.41Å; L343-T379 PolarHBondContact O-N 3.4Å; S344-T379 WeakPolarHBondContact CA-O 3.43Å; I345-T379 PolarHBondContact N-O 2.65Å; N377-T379 PolarHBondContact O-N 2.75Å; N377-T379 PolarHBondContact O-OG1 3.29Å; T379-L381 PolarHBondContact O-N 3.3Å; T379-Q405 WeakPolarHBondContact CA-O 3.4Å; T379-Q405 HydrophobicContact CG2-CG 3.98Å; T379-Q405 WeakPolarHBondContact OG1-CG 3.4Å; T379-Q405 PolarHBondContact OG1-NE2 3.42Å; T379-E407 HydrophobicContact CG2-CB 4.33Å; T379-E407 HydrophobicContact CG2-CG 3.76Å; T379-E407 WeakPolarHBondContact CG2-OE1 3.04Å; T379-I422 HydrophobicContact CG2-CB 4.3Å; T379-I422 HydrophobicContact CG2-CG1 3.83Å |
| 380 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 115.4 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 109 | I345 Y382 L386 F390 A394 I404 Q405 Y406 E407 | I345-V380 HydrophobicContact CD1-CG2 3.89Å; I345-V380 HydrophobicContact CG1-CG2 4.04Å; V380-Y382 HydrophobicContact CG1-CD2 4.28Å; V380-Y382 PolarHBondContact O-N 2.77Å; V380-L386 HydrophobicContact CG1-CD1 4.47Å; V380-F390 HydrophobicContact CG1-CE1 3.92Å; V380-A394 HydrophobicContact CG2-CB 4.33Å; V380-I404 HydrophobicContact CG2-CD1 4.11Å; V380-Q405 PolarHBondContact N-O 3.33Å; V380-Y406 HydrophobicContact CB-CD1 3.62Å; V380-Y406 HydrophobicContact CB-CE1 4.01Å; V380-Y406 HydrophobicContact CB-CG 4.39Å; V380-Y406 HydrophobicContact CG1-CD1 3.78Å; V380-Y406 HydrophobicContact CG1-CE1 4.1Å; V380-Y406 HydrophobicContact CG2-CD1 4.18Å; V380-Y406 HydrophobicContact CG2-CE1 4.09Å; V380-Y406 WeakPolarHBondContact O-CA 3.3Å; V380-E407 PolarHBondContact O-N 3Å |
| 381 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 94.1 | 168.7 | -59.4 | -178 | 0 | 0 | 0 | 108 | I345 G347 T379 E407 D409 M412 Y420 I422 | I345-L381 WeakPolarHBondContact O-CB 3.44Å; I345-L381 PolarHBondContact O-N 3.21Å; G347-L381 VanDerWaalsContact CA-O 3.25Å; G347-L381 WeakPolarHBondContact CA-O 3.43Å; G347-L381 PolarHBondContact N-O 3.17Å; T379-L381 PolarHBondContact O-N 3.3Å; L381-E407 CarbonylContact C-O 3.52Å; L381-E407 WeakPolarHBondContact CA-O 3.47Å; L381-D409 HydrophobicContact CB-CB 4.09Å; L381-M412 HydrophobicContact CD2-CE 4.1Å; L381-Y420 HydrophobicContact CD1-CE1 4.27Å; L381-Y420 HydrophobicContact CD1-CE2 4.2Å; L381-Y420 HydrophobicContact CD2-CE2 3.88Å; L381-I422 HydrophobicContact CD2-CD1 4.25Å; L381-I422 HydrophobicContact CD2-CG1 3.96Å |
| 382 | Y | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 140.3 | -168.4 | -163.8 | -88.3 | 0 | 0 | 0 | 112.1 | V380 L386 K391 Y406 E407 D409 T693 L696 D697 F700 | V380-Y382 HydrophobicContact CG1-CD2 4.28Å; V380-Y382 PolarHBondContact O-N 2.77Å; Y382-L386 HydrophobicContact CD2-CD1 4.19Å; Y382-L386 HydrophobicContact CG-CD1 4.48Å; Y382-K391 HydrophobicContact CE2-CD 4.43Å; Y382-K391 HydrophobicContact CE2-CG 4.31Å; Y382-Y406 AromaticContact CD2-CD1 3.68Å; Y382-Y406 HydrophobicContact CD2-CD1 3.68Å; Y382-Y406 HydrophobicContact CD2-CE1 4.13Å; Y382-Y406 HydrophobicContact CE2-CD1 4.39Å; Y382-Y406 HydrophobicContact CE2-CE1 4.49Å; Y382-Y406 HydrophobicContact CG-CD1 4.37Å; Y382-E407 PolarHBondContact N-O 3.06Å; Y382-D409 VanDerWaalsContact O-CB 3.28Å; Y382-D409 WeakPolarHBondContact O-CB 3.44Å; Y382-D409 PolarHBondContact O-N 2.95Å; Y382-T693 PolarHBondContact OH-O 3.49Å; Y382-L696 HydrophobicContact CE1-CB 3.96Å; Y382-L696 HydrophobicContact CE2-CB 3.86Å; Y382-L696 HydrophobicContact CE2-CD1 3.98Å; Y382-L696 HydrophobicContact CE2-CG 4.48Å; Y382-L696 VanDerWaalsContact CZ-CB 3.5Å; Y382-L696 WeakPolarHBondContact OH-CB 3.19Å; Y382-D697 VanDerWaalsContact CE1-OD1 3.29Å; Y382-D697 WeakPolarHBondContact CE1-OD1 3.44Å; Y382-D697 VanDerWaalsContact CZ-OD1 3.28Å; Y382-D697 PolarHBondContact OH-OD1 3.45Å; Y382-F700 HydrophobicContact CD1-CB 4.02Å; Y382-F700 AromaticContact CD1-CD2 3.25Å; Y382-F700 HydrophobicContact CD1-CD2 3.25Å; Y382-F700 AromaticContact CD1-CE2 4Å; Y382-F700 HydrophobicContact CD1-CE2 4Å; Y382-F700 AromaticContact CD1-CG 3.95Å; Y382-F700 HydrophobicContact CD1-CG 3.95Å; Y382-F700 AromaticContact CE1-CD2 3.88Å; Y382-F700 HydrophobicContact CE1-CD2 3.88Å; Y382-F700 AromaticContact CG-CD2 3.67Å; Y382-F700 HydrophobicContact CG-CD2 3.67Å; Y382-F700 AromaticContact CG-CE2 3.93Å; Y382-F700 HydrophobicContact CG-CE2 3.93Å |
| 383 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -149.4 | 140.6 | 168.6 | 133.2 | 0 | 0 | 0 | 0 | 106.2 | R385 L386 D410 | S383-R385 PolarHBondContact O-N 2.89Å; S383-R385 WeakPolarHBondContact OG-CB 3.07Å; S383-R385 PolarHBondContact OG-N 3.36Å; S383-R385 VanDerWaalsContact OG-N 3.08Å; S383-L386 VanDerWaalsContact O-CB 3.31Å; S383-L386 WeakPolarHBondContact O-CB 3.45Å; S383-L386 WeakPolarHBondContact O-CG 3.37Å; S383-L386 PolarHBondContact O-N 3.11Å; S383-D410 VanDerWaalsContact CB-OD2 3.24Å; S383-D410 WeakPolarHBondContact CB-OD2 3.35Å; S383-D410 PolarHBondContact OG-OD2 2.79Å | ||
| 384 | S | 98.3 | Very high | 98.6 | Very high | 33 Ų | 33 | 20.1 Ų | 20.1 | 23% | 0.231 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.8 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | D697 D701 | S384-D697 WeakPolarHBondContact CA-OD1 3.4Å; S384-D697 WeakPolarHBondContact CB-OD1 3.16Å; S384-D701 WeakPolarHBondContact CB-OD1 3.06Å; S384-D701 PolarHBondContact OG-OD1 2.69Å |
| 385 | R | 98.3 | Very high | 98.6 | Very high | 129 Ų | 129 | 19.4 Ų | 19.4 | 49% | 0.487 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 2.5 | 173.4 | -57.6 | 179.2 | -68.9 | 157 | 0.4 | 115 | M348 S383 D410 | M348-R385 HydrophobicContact CE-CB 3.97Å; M348-R385 WeakPolarHBondContact CE-O 3.46Å; M348-R385 HydrophobicContact SD-CB 4.49Å; S383-R385 PolarHBondContact O-N 2.89Å; S383-R385 WeakPolarHBondContact OG-CB 3.07Å; S383-R385 PolarHBondContact OG-N 3.36Å; S383-R385 VanDerWaalsContact OG-N 3.08Å; R385-D410 IonicContact CZ-OD1 3.26Å; R385-D410 IonicContact NE-OD1 3.77Å; R385-D410 IonicContact NH2-OD1 2.9Å; R385-D410 PolarHBondContact NH2-OD1 2.57Å |
| 386 | L | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -61.5 | 151.2 | 171 | -72.2 | 174.8 | 0 | 0 | 0 | 110 | A346 M348 V356 V380 Y382 S383 E388 F390 K391 | A346-L386 HydrophobicContact CB-CD2 4.16Å; M348-L386 HydrophobicContact SD-CD2 3.8Å; M348-L386 HydrophobicContact SD-CG 4.43Å; V356-L386 HydrophobicContact CG2-CD2 3.66Å; V380-L386 HydrophobicContact CG1-CD1 4.47Å; Y382-L386 HydrophobicContact CD2-CD1 4.19Å; Y382-L386 HydrophobicContact CG-CD1 4.48Å; S383-L386 VanDerWaalsContact O-CB 3.31Å; S383-L386 WeakPolarHBondContact O-CB 3.45Å; S383-L386 WeakPolarHBondContact O-CG 3.37Å; S383-L386 PolarHBondContact O-N 3.11Å; L386-E388 PolarHBondContact O-N 2.85Å; L386-F390 HydrophobicContact CD1-CD1 4.21Å; L386-F390 HydrophobicContact CD1-CE1 4.35Å; L386-K391 HydrophobicContact CB-CD 4.25Å; L386-K391 HydrophobicContact CB-CG 3.77Å |
| 387 | P | 98.7 | Very high | 98.7 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 11% | 0.11 | 10% | 0.102 | C | C | . | . | trans | -56.9 | 136.1 | 175 | -22.8 | 33.4 | 0 | 0 | 0 | 111.6 | E45 T354 V356 G389 F390 K391 | E45-P387 HydrophobicContact CB-CB 4.24Å; E45-P387 HydrophobicContact CB-CG 4.34Å; E45-P387 HydrophobicContact CG-CB 4.49Å; E45-P387 HydrophobicContact CG-CG 4.09Å; T354-P387 HydrophobicContact CG2-CG 3.8Å; V356-P387 HydrophobicContact CB-CG 4.35Å; P387-G389 VanDerWaalsContact C-N 3.3Å; P387-G389 PolarHBondContact O-N 3.25Å; P387-F390 PolarHBondContact O-N 2.69Å; P387-K391 PolarHBondContact O-N 2.85Å | ||
| 388 | E | 98.4 | Very high | 98.7 | Very high | 101 Ų | 101 | 20.7 Ų | 20.7 | 47% | 0.472 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -55.4 | -45.7 | -175.7 | -156.2 | 62.9 | -141.6 | 0 | 0 | 111.8 | L386 F390 K391 D392 | L386-E388 PolarHBondContact O-N 2.85Å; E388-F390 PolarHBondContact O-N 3.13Å; E388-F390 VanDerWaalsContact O-N 3.09Å; E388-K391 PolarHBondContact O-N 3.35Å; E388-K391 VanDerWaalsContact OE1-CE 3.29Å; E388-K391 WeakPolarHBondContact OE1-CE 3.47Å; E388-K391 IonicContact OE1-NZ 2.82Å; E388-K391 PolarHBondContact OE1-NZ 3.03Å; E388-K391 WeakPolarHBondContact OE2-CE 3.35Å; E388-K391 IonicContact OE2-NZ 3.41Å; E388-K391 PolarHBondContact OE2-NZ 3.18Å; E388-D392 WeakPolarHBondContact O-CB 3.26Å; E388-D392 PolarHBondContact O-N 2.82Å |
| 389 | G | 98.3 | Very high | 98.6 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 19% | 0.186 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.8 | -27.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F361 P387 Y393 | F361-G389 WeakPolarHBondContact CE1-O 3.41Å; P387-G389 VanDerWaalsContact C-N 3.3Å; P387-G389 PolarHBondContact O-N 3.25Å; G389-Y393 VanDerWaalsContact O-CB 3.31Å; G389-Y393 WeakPolarHBondContact O-CB 3.39Å; G389-Y393 PolarHBondContact O-N 3.06Å |
| 390 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -83.3 | -40.1 | 173.9 | -177.8 | -96.9 | 0 | 0 | 0 | 112.2 | I345 A346 V356 D360 F361 L364 V380 L386 P387 E388 D392 Y393 A394 | I345-F390 HydrophobicContact CD1-CZ 4.2Å; I345-F390 HydrophobicContact CG1-CZ 4.49Å; A346-F390 HydrophobicContact CB-CD1 4.1Å; A346-F390 HydrophobicContact CB-CE1 3.32Å; A346-F390 HydrophobicContact CB-CZ 3.6Å; V356-F390 HydrophobicContact CG1-CB 3.99Å; V356-F390 HydrophobicContact CG1-CD2 3.9Å; V356-F390 HydrophobicContact CG1-CG 3.88Å; V356-F390 HydrophobicContact CG2-CB 4.39Å; V356-F390 HydrophobicContact CG2-CD1 3.83Å; V356-F390 HydrophobicContact CG2-CD2 4.45Å; V356-F390 HydrophobicContact CG2-CE1 4.26Å; V356-F390 HydrophobicContact CG2-CG 3.94Å; D360-F390 HydrophobicContact CB-CD2 4.38Å; D360-F390 HydrophobicContact CB-CE2 3.63Å; D360-F390 HydrophobicContact CB-CZ 4.16Å; F361-F390 HydrophobicContact CD1-CD2 4.48Å; F361-F390 AromaticContact CD2-CD2 3.79Å; F361-F390 HydrophobicContact CD2-CD2 3.79Å; F361-F390 HydrophobicContact CD2-CE2 4.47Å; F361-F390 HydrophobicContact CE1-CB 4.43Å; F361-F390 HydrophobicContact CE1-CD2 4.26Å; F361-F390 HydrophobicContact CE2-CB 3.85Å; F361-F390 AromaticContact CE2-CD2 3.53Å; F361-F390 HydrophobicContact CE2-CD2 3.53Å; F361-F390 HydrophobicContact CE2-CG 4.16Å; F361-F390 HydrophobicContact CG-CD2 4.27Å; F361-F390 VanDerWaalsContact CZ-CA 3.45Å; F361-F390 HydrophobicContact CZ-CB 3.59Å; F361-F390 AromaticContact CZ-CD2 3.8Å; F361-F390 HydrophobicContact CZ-CD2 3.8Å; F361-F390 HydrophobicContact CZ-CG 4.2Å; L364-F390 HydrophobicContact CD1-CE2 3.68Å; L364-F390 HydrophobicContact CD1-CZ 3.92Å; V380-F390 HydrophobicContact CG1-CE1 3.92Å; L386-F390 HydrophobicContact CD1-CD1 4.21Å; L386-F390 HydrophobicContact CD1-CE1 4.35Å; P387-F390 PolarHBondContact O-N 2.69Å; E388-F390 PolarHBondContact O-N 3.13Å; E388-F390 VanDerWaalsContact O-N 3.09Å; F390-D392 VanDerWaalsContact C-N 3.34Å; F390-Y393 PolarHBondContact O-N 2.73Å; F390-A394 WeakPolarHBondContact O-CB 3.36Å; F390-A394 PolarHBondContact O-N 3.07Å |
| 391 | K | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -49.9 | 175 | -67 | -168.7 | -57.8 | 172.9 | 0 | 110.4 | Y382 L386 P387 E388 Y393 A394 A395 T693 D697 | Y382-K391 HydrophobicContact CE2-CD 4.43Å; Y382-K391 HydrophobicContact CE2-CG 4.31Å; L386-K391 HydrophobicContact CB-CD 4.25Å; L386-K391 HydrophobicContact CB-CG 3.77Å; P387-K391 PolarHBondContact O-N 2.85Å; E388-K391 PolarHBondContact O-N 3.35Å; E388-K391 VanDerWaalsContact OE1-CE 3.29Å; E388-K391 WeakPolarHBondContact OE1-CE 3.47Å; E388-K391 IonicContact OE1-NZ 2.82Å; E388-K391 PolarHBondContact OE1-NZ 3.03Å; E388-K391 WeakPolarHBondContact OE2-CE 3.35Å; E388-K391 IonicContact OE2-NZ 3.41Å; E388-K391 PolarHBondContact OE2-NZ 3.18Å; K391-Y393 PolarHBondContact O-N 3.25Å; K391-A394 PolarHBondContact O-N 2.69Å; K391-A395 WeakPolarHBondContact O-CB 3.28Å; K391-A395 PolarHBondContact O-N 3.23Å; K391-T693 HydrophobicContact CB-CG2 3.98Å; K391-T693 HydrophobicContact CD-CG2 4.15Å; K391-D697 IonicContact NZ-OD1 2.72Å; K391-D697 IonicContact NZ-OD2 2.67Å; K391-D697 PolarHBondContact NZ-OD2 3.23Å |
| 392 | D | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 25.8 Ų | 25.8 | 31% | 0.305 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 179.7 | -69.2 | -16.4 | 0 | 0 | 0 | 111.7 | E388 F390 A395 K396 V689 T693 | E388-D392 WeakPolarHBondContact O-CB 3.26Å; E388-D392 PolarHBondContact O-N 2.82Å; F390-D392 VanDerWaalsContact C-N 3.34Å; D392-A395 PolarHBondContact O-N 2.74Å; D392-K396 WeakPolarHBondContact O-CB 3.42Å; D392-K396 PolarHBondContact O-N 3.03Å; D392-V689 HydrophobicContact CB-CG1 3.75Å; D392-T693 PolarHBondContact OD1-OG1 3.35Å |
| 393 | Y | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 6% | 0.063 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 178.9 | -173 | -116.4 | 0 | 0 | 0 | 112.4 | A48 L51 F361 L364 H365 E368 G389 F390 K391 K396 I397 | A48-Y393 HydrophobicContact CB-CD1 4.21Å; A48-Y393 HydrophobicContact CB-CD2 3.43Å; A48-Y393 VanDerWaalsContact CB-CD2 3.43Å; A48-Y393 HydrophobicContact CB-CE1 4.42Å; A48-Y393 HydrophobicContact CB-CE2 3.74Å; A48-Y393 HydrophobicContact CB-CG 3.71Å; L51-Y393 HydrophobicContact CD1-CE1 3.85Å; L51-Y393 HydrophobicContact CD1-CE2 4.16Å; L51-Y393 WeakPolarHBondContact CD1-OH 3.25Å; F361-Y393 HydrophobicContact CB-CD1 4.45Å; F361-Y393 HydrophobicContact CB-CE1 4.33Å; F361-Y393 AromaticContact CD1-CD1 3.34Å; F361-Y393 HydrophobicContact CD1-CD1 3.34Å; F361-Y393 AromaticContact CD1-CE1 3.93Å; F361-Y393 HydrophobicContact CD1-CE1 3.93Å; F361-Y393 AromaticContact CD1-CG 3.87Å; F361-Y393 HydrophobicContact CD1-CG 3.87Å; F361-Y393 AromaticContact CE1-CD1 3.92Å; F361-Y393 HydrophobicContact CE1-CD1 3.92Å; F361-Y393 HydrophobicContact CE1-CG 4.05Å; F361-Y393 HydrophobicContact CG-CD1 4.22Å; L364-Y393 HydrophobicContact CB-CD1 4.31Å; L364-Y393 HydrophobicContact CB-CE1 3.78Å; L364-Y393 HydrophobicContact CD1-CD1 3.99Å; L364-Y393 HydrophobicContact CD1-CE1 4.32Å; H365-Y393 WeakPolarHBondContact CA-OH 3.39Å; H365-Y393 WeakPolarHBondContact CB-OH 3.18Å; H365-Y393 PolarHBondContact ND1-OH 3.5Å; H365-Y393 VanDerWaalsContact ND1-OH 3.07Å; E368-Y393 PolarHBondContact OE2-OH 2.76Å; G389-Y393 VanDerWaalsContact O-CB 3.31Å; G389-Y393 WeakPolarHBondContact O-CB 3.39Å; G389-Y393 PolarHBondContact O-N 3.06Å; F390-Y393 PolarHBondContact O-N 2.73Å; K391-Y393 PolarHBondContact O-N 3.25Å; Y393-K396 PolarHBondContact O-N 3.05Å; Y393-I397 HydrophobicContact CD1-CG1 4.46Å; Y393-I397 HydrophobicContact CE1-CG1 4.16Å; Y393-I397 HydrophobicContact CE2-CD1 4.22Å; Y393-I397 HydrophobicContact CE2-CG1 4.24Å; Y393-I397 VanDerWaalsContact O-CG1 3.28Å; Y393-I397 WeakPolarHBondContact O-CG1 3.33Å; Y393-I397 PolarHBondContact O-N 3.36Å |
| 394 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L364 V380 F390 K391 I397 S398 I404 Y406 | L364-A394 HydrophobicContact CD1-CB 4.1Å; V380-A394 HydrophobicContact CG2-CB 4.33Å; F390-A394 WeakPolarHBondContact O-CB 3.36Å; F390-A394 PolarHBondContact O-N 3.07Å; K391-A394 PolarHBondContact O-N 2.69Å; A394-I397 PolarHBondContact O-N 2.99Å; A394-S398 PolarHBondContact O-N 3Å; A394-S398 PolarHBondContact O-OG 3.15Å; A394-I404 HydrophobicContact CB-CD1 4.24Å; A394-I404 WeakPolarHBondContact O-CD1 3.47Å; A394-Y406 VanDerWaalsContact C-OH 3.22Å; A394-Y406 HydrophobicContact CB-CE1 4.09Å; A394-Y406 PolarHBondContact O-OH 3.08Å |
| 395 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K391 D392 I397 S398 I399 Y406 V689 L692 | K391-A395 WeakPolarHBondContact O-CB 3.28Å; K391-A395 PolarHBondContact O-N 3.23Å; D392-A395 PolarHBondContact O-N 2.74Å; A395-I397 PolarHBondContact O-N 3.16Å; A395-S398 WeakPolarHBondContact O-CB 3.43Å; A395-S398 PolarHBondContact O-N 3.16Å; A395-S398 VanDerWaalsContact O-N 3.16Å; A395-I399 WeakPolarHBondContact O-CD1 3.39Å; A395-I399 WeakPolarHBondContact O-CG1 3.23Å; A395-I399 PolarHBondContact O-N 3.38Å; A395-Y406 PolarHBondContact N-OH 3.09Å; A395-V689 HydrophobicContact CB-CG1 4.19Å; A395-L692 HydrophobicContact CB-CB 4.22Å; A395-L692 HydrophobicContact CB-CD2 3.93Å; A395-L692 HydrophobicContact CB-CG 4.1Å |
| 396 | K | 98.4 | Very high | 98.4 | Very high | 46 Ų | 46 | 18.1 Ų | 18.1 | 20% | 0.2 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.8 | -49.3 | 173.2 | -177.5 | -174.3 | 179.7 | -63.4 | 0 | 111.7 | E368 D392 Y393 S398 I399 D400 E685 V689 | E368-K396 IonicContact OE1-NZ 3.15Å; E368-K396 PolarHBondContact OE1-NZ 3.13Å; D392-K396 WeakPolarHBondContact O-CB 3.42Å; D392-K396 PolarHBondContact O-N 3.03Å; Y393-K396 PolarHBondContact O-N 3.05Å; K396-S398 VanDerWaalsContact C-N 3.3Å; K396-S398 PolarHBondContact O-N 3.26Å; K396-I399 WeakPolarHBondContact O-CB 3.42Å; K396-I399 PolarHBondContact O-N 2.89Å; K396-I399 VanDerWaalsContact O-N 3.09Å; K396-D400 IonicContact NZ-OD2 3.37Å; K396-D400 PolarHBondContact NZ-OD2 3.02Å; K396-D400 PolarHBondContact O-N 3.31Å; K396-E685 WeakPolarHBondContact CE-OE1 3.04Å; K396-V689 HydrophobicContact CB-CG2 4.02Å |
| 397 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -37.9 | 178.8 | -67.3 | -68 | 0 | 0 | 0 | 111.8 | L364 L367 E368 Y393 A394 A395 D400 T401 I404 | L364-I397 HydrophobicContact CB-CG1 4.29Å; L364-I397 HydrophobicContact CD2-CG2 4.3Å; L367-I397 HydrophobicContact CB-CG2 4.42Å; L367-I397 HydrophobicContact CD1-CG2 3.53Å; E368-I397 HydrophobicContact CG-CD1 3.75Å; Y393-I397 HydrophobicContact CD1-CG1 4.46Å; Y393-I397 HydrophobicContact CE1-CG1 4.16Å; Y393-I397 HydrophobicContact CE2-CD1 4.22Å; Y393-I397 HydrophobicContact CE2-CG1 4.24Å; Y393-I397 VanDerWaalsContact O-CG1 3.28Å; Y393-I397 WeakPolarHBondContact O-CG1 3.33Å; Y393-I397 PolarHBondContact O-N 3.36Å; A394-I397 PolarHBondContact O-N 2.99Å; A395-I397 PolarHBondContact O-N 3.16Å; I397-D400 PolarHBondContact O-N 2.84Å; I397-T401 HydrophobicContact CG2-CG2 4.48Å; I397-T401 WeakPolarHBondContact O-CB 3.44Å; I397-T401 WeakPolarHBondContact O-CG2 3.4Å; I397-T401 PolarHBondContact O-N 3.32Å; I397-T401 PolarHBondContact O-OG1 3.39Å; I397-I404 HydrophobicContact CG2-CD1 4.31Å; I397-I404 HydrophobicContact CG2-CG2 4.02Å |
| 398 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 172.4 | -73.3 | 0 | 0 | 0 | 0 | 112.5 | A394 A395 K396 S402 I404 Y406 | A394-S398 PolarHBondContact O-N 3Å; A394-S398 PolarHBondContact O-OG 3.15Å; A395-S398 WeakPolarHBondContact O-CB 3.43Å; A395-S398 PolarHBondContact O-N 3.16Å; A395-S398 VanDerWaalsContact O-N 3.16Å; K396-S398 VanDerWaalsContact C-N 3.3Å; K396-S398 PolarHBondContact O-N 3.26Å; S398-S402 WeakPolarHBondContact O-CA 3.27Å; S398-S402 PolarHBondContact O-N 3.24Å; S398-S402 PolarHBondContact O-OG 3.46Å; S398-I404 WeakPolarHBondContact OG-CD1 3.35Å; S398-I404 WeakPolarHBondContact OG-CG1 3.45Å; S398-Y406 VanDerWaalsContact OG-CE2 3.32Å; S398-Y406 WeakPolarHBondContact OG-CE2 3.38Å; S398-Y406 PolarHBondContact OG-OH 3.3Å |
| 399 | I | 98.1 | Very high | 98.4 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 10% | 0.097 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 178.3 | -68.7 | 156.9 | 0 | 0 | 0 | 110.8 | A395 K396 L681 R688 V689 L692 V711 | A395-I399 WeakPolarHBondContact O-CD1 3.39Å; A395-I399 WeakPolarHBondContact O-CG1 3.23Å; A395-I399 PolarHBondContact O-N 3.38Å; K396-I399 WeakPolarHBondContact O-CB 3.42Å; K396-I399 PolarHBondContact O-N 2.89Å; K396-I399 VanDerWaalsContact O-N 3.09Å; I399-L681 HydrophobicContact CD1-CD2 4.27Å; I399-L681 HydrophobicContact CG1-CD2 4.02Å; I399-R688 HydrophobicContact CD1-CB 3.73Å; I399-R688 HydrophobicContact CG1-CB 4.48Å; I399-V689 HydrophobicContact CD1-CB 4.46Å; I399-V689 HydrophobicContact CD1-CG2 3.79Å; I399-L692 HydrophobicContact CD1-CD2 4.28Å; I399-L692 HydrophobicContact CG1-CD2 4Å; I399-V711 HydrophobicContact CG1-CG1 4.38Å; I399-V711 HydrophobicContact CG1-CG2 4.2Å; I399-V711 HydrophobicContact CG2-CG1 4.32Å |
| 400 | D | 97.3 | Very high | 98.4 | Very high | 75 Ų | 75 | 13.2 Ų | 13.2 | 40% | 0.401 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -76.7 | -34 | -174.7 | -68.2 | -20.2 | 0 | 0 | 0 | 113 | K396 I397 | K396-D400 IonicContact NZ-OD2 3.37Å; K396-D400 PolarHBondContact NZ-OD2 3.02Å; K396-D400 PolarHBondContact O-N 3.31Å; I397-D400 PolarHBondContact O-N 2.84Å |
| 401 | T | 97.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 15 Ų | 15 | 6% | 0.061 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -125.2 | -21.5 | -163.3 | 77 | 0 | 0 | 0 | 0 | 114.8 | L367 P372 I397 S403 | L367-T401 HydrophobicContact CB-CG2 4.09Å; P372-T401 HydrophobicContact CG-CG2 4.11Å; I397-T401 HydrophobicContact CG2-CG2 4.48Å; I397-T401 WeakPolarHBondContact O-CB 3.44Å; I397-T401 WeakPolarHBondContact O-CG2 3.4Å; I397-T401 PolarHBondContact O-N 3.32Å; I397-T401 PolarHBondContact O-OG1 3.39Å; T401-S403 PolarHBondContact O-N 3.32Å; T401-S403 PolarHBondContact O-OG 3.29Å; T401-S403 WeakPolarHBondContact OG1-CB 3.34Å; T401-S403 PolarHBondContact OG1-N 3.48Å |
| 402 | S | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | trans | 47.3 | 31.3 | -172.4 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | S398 V711 F712 R735 | S398-S402 WeakPolarHBondContact O-CA 3.27Å; S398-S402 PolarHBondContact O-N 3.24Å; S398-S402 PolarHBondContact O-OG 3.46Å; S402-V711 PolarHBondContact OG-N 2.86Å; S402-F712 WeakPolarHBondContact OG-CD1 3.36Å; S402-R735 VanDerWaalsContact O-CD 3.23Å; S402-R735 WeakPolarHBondContact O-CD 3.06Å; S402-R735 VanDerWaalsContact O-CG 3.26Å; S402-R735 WeakPolarHBondContact O-CG 3.45Å | ||
| 403 | S | 98.1 | Very high | 98.3 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.014 | 7% | 0.066 | C | C | . | . | trans | -104.5 | -12.4 | -169.6 | -63.8 | 0 | 0 | 0 | 0 | 113.8 | T401 T733 R735 | T401-S403 PolarHBondContact O-N 3.32Å; T401-S403 PolarHBondContact O-OG 3.29Å; T401-S403 WeakPolarHBondContact OG1-CB 3.34Å; T401-S403 PolarHBondContact OG1-N 3.48Å; S403-T733 WeakPolarHBondContact OG-CB 3.45Å; S403-T733 WeakPolarHBondContact OG-CG2 3.37Å; S403-R735 PolarHBondContact O-NH1 3Å | ||
| 404 | I | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -107 | 161 | -177 | 70.1 | 172.5 | 0 | 0 | 0 | 112.8 | L364 L367 L378 V380 A394 I397 S398 Y406 R735 | L364-I404 HydrophobicContact CD2-CD1 4.07Å; L364-I404 HydrophobicContact CD2-CG2 3.84Å; L367-I404 HydrophobicContact CD1-CG2 3.57Å; L378-I404 HydrophobicContact CB-CB 4.49Å; L378-I404 HydrophobicContact CB-CG2 3.88Å; L378-I404 HydrophobicContact CD1-CG2 4.29Å; V380-I404 HydrophobicContact CG2-CD1 4.11Å; A394-I404 HydrophobicContact CB-CD1 4.24Å; A394-I404 WeakPolarHBondContact O-CD1 3.47Å; I397-I404 HydrophobicContact CG2-CD1 4.31Å; I397-I404 HydrophobicContact CG2-CG2 4.02Å; S398-I404 WeakPolarHBondContact OG-CD1 3.35Å; S398-I404 WeakPolarHBondContact OG-CG1 3.45Å; I404-Y406 HydrophobicContact CD1-CE1 4.38Å; I404-Y406 HydrophobicContact CD1-CE2 4.24Å; I404-Y406 HydrophobicContact CG1-CE2 4.2Å; I404-R735 WeakPolarHBondContact O-CD 3.14Å; I404-R735 PolarHBondContact O-NE 3.05Å | ||
| 405 | Q | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 162.3 | 171.1 | 62.6 | 177.1 | 20.3 | 0 | 0 | 111.5 | N377 L378 T379 V380 E407 C425 H706 N708 R735 G738 | N377-Q405 PolarHBondContact ND2-NE2 3.28Å; L378-Q405 PolarHBondContact O-N 2.98Å; L378-Q405 VanDerWaalsContact O-N 3.1Å; T379-Q405 WeakPolarHBondContact CA-O 3.4Å; T379-Q405 HydrophobicContact CG2-CG 3.98Å; T379-Q405 WeakPolarHBondContact OG1-CG 3.4Å; T379-Q405 PolarHBondContact OG1-NE2 3.42Å; V380-Q405 PolarHBondContact N-O 3.33Å; Q405-E407 PolarHBondContact NE2-OE1 3.24Å; Q405-C425 PolarHBondContact NE2-O 3.5Å; Q405-H706 PolarHBondContact OE1-NE2 3.43Å; Q405-H706 VanDerWaalsContact OE1-NE2 3.11Å; Q405-N708 WeakPolarHBondContact CB-OD1 3.45Å; Q405-N708 PolarHBondContact OE1-OD1 3.25Å; Q405-R735 VanDerWaalsContact CG-NH2 3.34Å; Q405-G738 PolarHBondContact OE1-O 3.44Å |
| 406 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.3 | -178.9 | -58.1 | -95.2 | 0 | 0 | 0 | 110.3 | V380 Y382 A394 A395 S398 I404 L696 F700 H706 L707 V709 | V380-Y406 HydrophobicContact CB-CD1 3.62Å; V380-Y406 HydrophobicContact CB-CE1 4.01Å; V380-Y406 HydrophobicContact CB-CG 4.39Å; V380-Y406 HydrophobicContact CG1-CD1 3.78Å; V380-Y406 HydrophobicContact CG1-CE1 4.1Å; V380-Y406 HydrophobicContact CG2-CD1 4.18Å; V380-Y406 HydrophobicContact CG2-CE1 4.09Å; V380-Y406 WeakPolarHBondContact O-CA 3.3Å; Y382-Y406 AromaticContact CD2-CD1 3.68Å; Y382-Y406 HydrophobicContact CD2-CD1 3.68Å; Y382-Y406 HydrophobicContact CD2-CE1 4.13Å; Y382-Y406 HydrophobicContact CE2-CD1 4.39Å; Y382-Y406 HydrophobicContact CE2-CE1 4.49Å; Y382-Y406 HydrophobicContact CG-CD1 4.37Å; A394-Y406 VanDerWaalsContact C-OH 3.22Å; A394-Y406 HydrophobicContact CB-CE1 4.09Å; A394-Y406 PolarHBondContact O-OH 3.08Å; A395-Y406 PolarHBondContact N-OH 3.09Å; S398-Y406 VanDerWaalsContact OG-CE2 3.32Å; S398-Y406 WeakPolarHBondContact OG-CE2 3.38Å; S398-Y406 PolarHBondContact OG-OH 3.3Å; I404-Y406 HydrophobicContact CD1-CE1 4.38Å; I404-Y406 HydrophobicContact CD1-CE2 4.24Å; I404-Y406 HydrophobicContact CG1-CE2 4.2Å; Y406-L696 HydrophobicContact CD1-CD1 4.21Å; Y406-L696 HydrophobicContact CD1-CD2 4.23Å; Y406-L696 HydrophobicContact CD2-CD2 3.85Å; Y406-L696 HydrophobicContact CE1-CD1 3.77Å; Y406-L696 HydrophobicContact CE1-CD2 4.5Å; Y406-L696 HydrophobicContact CE2-CD1 4.19Å; Y406-L696 HydrophobicContact CE2-CD2 4.15Å; Y406-L696 HydrophobicContact CG-CD2 3.88Å; Y406-F700 HydrophobicContact CG-CE2 4.4Å; Y406-H706 CarbonylContact O-C 3.32Å; Y406-H706 VanDerWaalsContact O-CA 3.28Å; Y406-H706 WeakPolarHBondContact O-CA 3.48Å; Y406-L707 PolarHBondContact N-O 3.18Å; Y406-L707 PolarHBondContact O-N 3.48Å; Y406-V709 HydrophobicContact CD2-CG2 3.82Å; Y406-V709 HydrophobicContact CE2-CB 4.29Å; Y406-V709 HydrophobicContact CE2-CG2 3.73Å |
| 407 | E | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.9 | 174.1 | -58.7 | -163.5 | -132.9 | 0 | 0 | 111 | T379 V380 L381 Y382 Q405 D409 M412 I422 V426 H705 H706 | T379-E407 HydrophobicContact CG2-CB 4.33Å; T379-E407 HydrophobicContact CG2-CG 3.76Å; T379-E407 WeakPolarHBondContact CG2-OE1 3.04Å; V380-E407 PolarHBondContact O-N 3Å; L381-E407 CarbonylContact C-O 3.52Å; L381-E407 WeakPolarHBondContact CA-O 3.47Å; Y382-E407 PolarHBondContact N-O 3.06Å; Q405-E407 PolarHBondContact NE2-OE1 3.24Å; E407-D409 PolarHBondContact O-N 2.98Å; E407-D409 VanDerWaalsContact O-N 3.13Å; E407-M412 HydrophobicContact CB-CE 3.37Å; E407-I422 WeakPolarHBondContact OE1-CG1 3.21Å; E407-I422 WeakPolarHBondContact OE1-CG2 3.32Å; E407-I422 WeakPolarHBondContact OE2-CD1 3.28Å; E407-V426 WeakPolarHBondContact OE2-CA 3.37Å; E407-H705 CarbonylContact C-O 3.4Å; E407-H705 VanDerWaalsContact CA-O 3.32Å; E407-H705 WeakPolarHBondContact CA-O 3.38Å; E407-H705 IonicContact OE2-CE1 3.67Å; E407-H705 PolarHBondContact OE2-CE1 3.34Å; E407-H705 IonicContact OE2-ND1 3.41Å; E407-H705 IonicContact OE2-NE2 2.77Å; E407-H706 HydrophobicContact CG-CB 3.91Å |
| 408 | N | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 101 | -167.3 | -169.5 | -17.6 | 0 | 0 | 0 | 112.9 | D410 V411 M412 F700 A704 H705 | N408-D410 PolarHBondContact O-N 3.47Å; N408-D410 WeakPolarHBondContact OD1-CB 3.47Å; N408-D410 PolarHBondContact OD1-N 3.22Å; N408-V411 HydrophobicContact CB-CG2 3.7Å; N408-V411 WeakPolarHBondContact O-CG2 3.36Å; N408-V411 PolarHBondContact O-N 3.32Å; N408-V411 PolarHBondContact OD1-N 3.13Å; N408-M412 WeakPolarHBondContact O-CB 3.37Å; N408-M412 VanDerWaalsContact O-CE 3.26Å; N408-M412 WeakPolarHBondContact O-CE 3.07Å; N408-M412 WeakPolarHBondContact O-CG 3.46Å; N408-M412 PolarHBondContact O-N 3.13Å; N408-M412 VanDerWaalsContact O-N 3.12Å; N408-F700 HydrophobicContact CB-CD1 3.5Å; N408-F700 VanDerWaalsContact CB-CD1 3.5Å; N408-F700 HydrophobicContact CB-CE1 3.96Å; N408-F700 HydrophobicContact CB-CG 4.27Å; N408-F700 PolarHBondContact ND2-O 3.43Å; N408-A704 WeakPolarHBondContact CB-O 3.43Å; N408-A704 PolarHBondContact ND2-O 3.34Å; N408-H705 WeakPolarHBondContact CB-O 3.34Å; N408-H705 PolarHBondContact N-O 3.46Å |
| 409 | D | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.7 | -27.4 | 177 | -166.3 | 50.8 | 0 | 0 | 0 | 112.1 | G347 M348 L381 Y382 E407 V411 R413 Y420 | G347-D409 WeakPolarHBondContact CA-OD2 3.28Å; M348-D409 PolarHBondContact N-OD2 3.02Å; L381-D409 HydrophobicContact CB-CB 4.09Å; Y382-D409 VanDerWaalsContact O-CB 3.28Å; Y382-D409 WeakPolarHBondContact O-CB 3.44Å; Y382-D409 PolarHBondContact O-N 2.95Å; E407-D409 PolarHBondContact O-N 2.98Å; E407-D409 VanDerWaalsContact O-N 3.13Å; D409-V411 PolarHBondContact O-N 2.79Å; D409-R413 WeakPolarHBondContact O-CB 3.39Å; D409-R413 PolarHBondContact O-N 3.43Å; D409-R413 IonicContact OD2-CZ 3.69Å; D409-R413 IonicContact OD2-NH1 3.68Å; D409-R413 PolarHBondContact OD2-NH1 3.35Å; D409-Y420 WeakPolarHBondContact CA-OH 3.45Å; D409-Y420 WeakPolarHBondContact OD1-CE1 3.47Å; D409-Y420 VanDerWaalsContact OD1-CZ 3.31Å; D409-Y420 PolarHBondContact OD1-OH 3.32Å |
| 410 | D | 98.4 | Very high | 97.8 | Very high | 40 Ų | 40 | 21 Ų | 21 | 21% | 0.214 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.8 | -27.7 | -178.7 | -72.9 | -41.7 | 0 | 0 | 0 | 113.5 | S383 R385 N408 R413 P414 | S383-D410 VanDerWaalsContact CB-OD2 3.24Å; S383-D410 WeakPolarHBondContact CB-OD2 3.35Å; S383-D410 PolarHBondContact OG-OD2 2.79Å; R385-D410 IonicContact CZ-OD1 3.26Å; R385-D410 IonicContact NE-OD1 3.77Å; R385-D410 IonicContact NH2-OD1 2.9Å; R385-D410 PolarHBondContact NH2-OD1 2.57Å; N408-D410 PolarHBondContact O-N 3.47Å; N408-D410 WeakPolarHBondContact OD1-CB 3.47Å; N408-D410 PolarHBondContact OD1-N 3.22Å; D410-R413 IonicContact OD1-CZ 2.84Å; D410-R413 IonicContact OD1-NH1 3.43Å; D410-R413 PolarHBondContact OD1-NH1 3.12Å; D410-R413 IonicContact OD1-NH2 2.69Å; D410-R413 PolarHBondContact OD1-NH2 3.04Å; D410-P414 WeakPolarHBondContact O-CD 3.42Å; D410-P414 WeakPolarHBondContact O-CG 3.47Å |
| 411 | V | 97.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 17.5 Ų | 17.5 | 22% | 0.224 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -90.9 | -30.3 | 172.5 | -55.8 | 0 | 0 | 0 | 0 | 113.1 | N408 D409 Y663 | N408-V411 HydrophobicContact CB-CG2 3.7Å; N408-V411 WeakPolarHBondContact O-CG2 3.36Å; N408-V411 PolarHBondContact O-N 3.32Å; N408-V411 PolarHBondContact OD1-N 3.13Å; D409-V411 PolarHBondContact O-N 2.79Å; V411-Y663 HydrophobicContact CB-CD1 4.31Å; V411-Y663 HydrophobicContact CG2-CD1 3.92Å; V411-Y663 HydrophobicContact CG2-CE1 4.44Å; V411-Y663 HydrophobicContact CG2-CG 4.46Å |
| 412 | M | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -82.2 | -44.2 | -178.4 | -74.2 | -169 | -71.5 | 0 | 0 | 113 | L381 E407 N408 P414 V415 W416 Y420 I422 A428 Y663 | L381-M412 HydrophobicContact CD2-CE 4.1Å; E407-M412 HydrophobicContact CB-CE 3.37Å; N408-M412 WeakPolarHBondContact O-CB 3.37Å; N408-M412 VanDerWaalsContact O-CE 3.26Å; N408-M412 WeakPolarHBondContact O-CE 3.07Å; N408-M412 WeakPolarHBondContact O-CG 3.46Å; N408-M412 PolarHBondContact O-N 3.13Å; N408-M412 VanDerWaalsContact O-N 3.12Å; M412-P414 VanDerWaalsContact C-CD 3.45Å; M412-P414 VanDerWaalsContact C-N 3.34Å; M412-V415 WeakPolarHBondContact O-CA 3.26Å; M412-V415 WeakPolarHBondContact O-CB 3.39Å; M412-V415 PolarHBondContact O-N 3.31Å; M412-W416 PolarHBondContact O-N 2.89Å; M412-Y420 HydrophobicContact CB-CE1 4.42Å; M412-Y420 HydrophobicContact CB-CE2 3.9Å; M412-Y420 HydrophobicContact CE-CE2 3.83Å; M412-Y420 WeakPolarHBondContact CE-OH 3.42Å; M412-Y420 HydrophobicContact CG-CE2 4.47Å; M412-Y420 HydrophobicContact SD-CE2 3.72Å; M412-I422 HydrophobicContact CE-CD1 4.17Å; M412-I422 HydrophobicContact SD-CD1 3.84Å; M412-A428 HydrophobicContact SD-CB 3.91Å; M412-Y663 HydrophobicContact CG-CE1 3.85Å |
| 413 | R | 97.9 | Very high | 97.8 | Very high | 19 Ų | 19 | 16.9 Ų | 16.9 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.3 | -36.3 | -176 | -174.5 | 178.8 | 65.5 | -113.4 | -17.2 | 114 | M348 M350 D409 D410 V415 L417 D418 Y420 | M348-R413 VanDerWaalsContact CB-NH1 3.3Å; M348-R413 WeakPolarHBondContact O-CD 3.37Å; M350-R413 HydrophobicContact SD-CG 3.62Å; D409-R413 WeakPolarHBondContact O-CB 3.39Å; D409-R413 PolarHBondContact O-N 3.43Å; D409-R413 IonicContact OD2-CZ 3.69Å; D409-R413 IonicContact OD2-NH1 3.68Å; D409-R413 PolarHBondContact OD2-NH1 3.35Å; D410-R413 IonicContact OD1-CZ 2.84Å; D410-R413 IonicContact OD1-NH1 3.43Å; D410-R413 PolarHBondContact OD1-NH1 3.12Å; D410-R413 IonicContact OD1-NH2 2.69Å; D410-R413 PolarHBondContact OD1-NH2 3.04Å; R413-V415 PolarHBondContact O-N 2.89Å; R413-L417 WeakPolarHBondContact CA-O 3.25Å; R413-L417 WeakPolarHBondContact CG-O 3.42Å; R413-L417 CarbonylContact O-C 3.51Å; R413-L417 WeakPolarHBondContact O-CA 3.41Å; R413-L417 PolarHBondContact O-N 3.36Å; R413-D418 HydrophobicContact CG-CB 4.39Å; R413-Y420 HydrophobicContact CB-CE1 4.4Å |
| 414 | P | 96.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 17 Ų | 17 | 57% | 0.565 | 10% | 0.097 | S | C | * | . | H | α-helix | trans | -62.5 | -27.3 | 172.3 | -25 | 36.1 | 0 | 0 | 0 | 114.6 | D410 M412 | D410-P414 WeakPolarHBondContact O-CD 3.42Å; D410-P414 WeakPolarHBondContact O-CG 3.47Å; M412-P414 VanDerWaalsContact C-CD 3.45Å; M412-P414 VanDerWaalsContact C-N 3.34Å |
| 415 | V | 95.3 | Very high | 97.7 | Very high | 74 Ų | 74 | 17 Ų | 17 | 45% | 0.448 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -88.8 | -47.3 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | M412 R413 L667 | M412-V415 WeakPolarHBondContact O-CA 3.26Å; M412-V415 WeakPolarHBondContact O-CB 3.39Å; M412-V415 PolarHBondContact O-N 3.31Å; R413-V415 PolarHBondContact O-N 2.89Å; V415-L667 HydrophobicContact CG1-CD2 4.36Å |
| 416 | W | 95.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 17 Ų | 17 | 5% | 0.045 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -106.4 | 2.4 | -168 | -46.7 | 105.8 | 0 | 0 | 0 | 114.3 | M412 Y420 A428 E434 Y663 L667 | M412-W416 PolarHBondContact O-N 2.89Å; W416-Y420 VanDerWaalsContact CB-CB 3.45Å; W416-Y420 HydrophobicContact CB-CD1 4.06Å; W416-Y420 HydrophobicContact CB-CD2 4.3Å; W416-Y420 HydrophobicContact CB-CG 3.69Å; W416-Y420 HydrophobicContact CG-CG 4.45Å; W416-A428 HydrophobicContact CD2-CB 4.05Å; W416-A428 HydrophobicContact CG-CB 3.96Å; W416-A428 HydrophobicContact CZ2-CB 4.32Å; W416-E434 WeakPolarHBondContact CZ3-OE2 3.3Å; W416-Y663 AromaticContact NE1-CZ 3.99Å; W416-Y663 PolarHBondContact NE1-OH 3.5Å; W416-L667 HydrophobicContact CZ2-CB 4.13Å; W416-L667 HydrophobicContact CZ2-CD2 4.33Å |
| 417 | L | 96.3 | Very high | 97.7 | Very high | 66 Ų | 66 | 17 Ų | 17 | 35% | 0.346 | 10% | 0.097 | S | C | . | . | trans | 64.5 | -160.1 | -170.7 | -51.9 | -178.2 | 0 | 0 | 0 | 112.3 | M350 R413 Y420 | M350-L417 HydrophobicContact CE-CD2 4.33Å; R413-L417 WeakPolarHBondContact CA-O 3.25Å; R413-L417 WeakPolarHBondContact CG-O 3.42Å; R413-L417 CarbonylContact O-C 3.51Å; R413-L417 WeakPolarHBondContact O-CA 3.41Å; R413-L417 PolarHBondContact O-N 3.36Å; L417-Y420 WeakPolarHBondContact O-CD1 3.3Å | ||
| 418 | D | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.011 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -102.7 | 6 | -171 | 53.6 | 14.4 | 0 | 0 | 0 | 114.5 | R34 Q38 R285 M350 L355 R413 | R34-D418 IonicContact CZ-OD1 3.23Å; R34-D418 VanDerWaalsContact CZ-OD1 3.31Å; R34-D418 IonicContact CZ-OD2 2.77Å; R34-D418 IonicContact NE-OD1 3.73Å; R34-D418 PolarHBondContact NE-OD1 3.03Å; R34-D418 IonicContact NE-OD2 2.76Å; R34-D418 VanDerWaalsContact NH2-CG 3.32Å; R34-D418 IonicContact NH2-OD1 3.63Å; R34-D418 PolarHBondContact NH2-OD1 3.24Å; R34-D418 IonicContact NH2-OD2 3.19Å; R34-D418 PolarHBondContact NH2-OD2 2.98Å; Q38-D418 PolarHBondContact NE2-OD2 2.65Å; R285-D418 PolarHBondContact NH1-O 2.96Å; R285-D418 VanDerWaalsContact NH1-O 3.08Å; M350-D418 WeakPolarHBondContact CB-OD2 3.26Å; M350-D418 HydrophobicContact CG-CB 3.94Å; M350-D418 VanDerWaalsContact CG-OD2 3.26Å; M350-D418 WeakPolarHBondContact CG-OD2 3.37Å; M350-D418 PolarHBondContact N-OD2 3.24Å; L355-D418 HydrophobicContact CD1-CB 4.12Å; L355-D418 VanDerWaalsContact CD1-O 3.32Å; L355-D418 WeakPolarHBondContact CD1-O 3.38Å; R413-D418 HydrophobicContact CG-CB 4.39Å |
| 419 | D | 98.3 | Very high | 97.5 | Very high | 15 Ų | 15 | 17.1 Ų | 17.1 | 8% | 0.08 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -127.1 | 32.8 | 176.7 | -167.3 | 39 | 0 | 0 | 0 | 112.2 | R34 R193 T431 | R34-D419 HydrophobicContact CB-CB 3.96Å; R34-D419 HydrophobicContact CG-CB 3.65Å; R193-D419 IonicContact CZ-OD1 3.8Å; R193-D419 IonicContact CZ-OD2 2.84Å; R193-D419 IonicContact NH1-OD1 2.94Å; R193-D419 PolarHBondContact NH1-OD1 3.43Å; R193-D419 IonicContact NH1-OD2 3.04Å; R193-D419 IonicContact NH2-OD1 2.78Å; R193-D419 PolarHBondContact NH2-OD1 3.33Å; R193-D419 IonicContact NH2-OD2 3.9Å; R193-D419 PolarHBondContact NH2-OD2 3.04Å; D419-T431 VanDerWaalsContact O-CB 3.23Å; D419-T431 WeakPolarHBondContact O-CB 3.32Å; D419-T431 PolarHBondContact O-N 2.91Å; D419-T431 PolarHBondContact O-OG1 3.44Å |
| 420 | Y | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 157.4 | 167.6 | 76.5 | -77.8 | 0 | 0 | 0 | 110.9 | R285 L381 D409 M412 R413 W416 L417 I422 A428 T429 | R285-Y420 WeakPolarHBondContact CD-O 3.44Å; R285-Y420 PolarHBondContact NH1-O 3.08Å; L381-Y420 HydrophobicContact CD1-CE1 4.27Å; L381-Y420 HydrophobicContact CD1-CE2 4.2Å; L381-Y420 HydrophobicContact CD2-CE2 3.88Å; D409-Y420 WeakPolarHBondContact CA-OH 3.45Å; D409-Y420 WeakPolarHBondContact OD1-CE1 3.47Å; D409-Y420 VanDerWaalsContact OD1-CZ 3.31Å; D409-Y420 PolarHBondContact OD1-OH 3.32Å; M412-Y420 HydrophobicContact CB-CE1 4.42Å; M412-Y420 HydrophobicContact CB-CE2 3.9Å; M412-Y420 HydrophobicContact CE-CE2 3.83Å; M412-Y420 WeakPolarHBondContact CE-OH 3.42Å; M412-Y420 HydrophobicContact CG-CE2 4.47Å; M412-Y420 HydrophobicContact SD-CE2 3.72Å; R413-Y420 HydrophobicContact CB-CE1 4.4Å; W416-Y420 VanDerWaalsContact CB-CB 3.45Å; W416-Y420 HydrophobicContact CB-CD1 4.06Å; W416-Y420 HydrophobicContact CB-CD2 4.3Å; W416-Y420 HydrophobicContact CB-CG 3.69Å; W416-Y420 HydrophobicContact CG-CG 4.45Å; L417-Y420 WeakPolarHBondContact O-CD1 3.3Å; Y420-I422 HydrophobicContact CD2-CD1 4.31Å; Y420-I422 HydrophobicContact CE2-CD1 3.98Å; Y420-A428 HydrophobicContact CD2-CB 3.84Å; Y420-A428 HydrophobicContact CE2-CB 4.27Å; Y420-T429 CarbonylContact C-O 3.4Å; Y420-T429 WeakPolarHBondContact CA-O 3.48Å; Y420-T429 VanDerWaalsContact CB-O 3.26Å; Y420-T429 WeakPolarHBondContact CB-O 3.32Å |
| 421 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R285 A428 T429 | R285-A421 HydrophobicContact CB-CB 4.09Å; A421-A428 WeakPolarHBondContact O-CA 3.48Å; A421-T429 PolarHBondContact N-O 2.83Å; A421-T429 PolarHBondContact O-N 3.41Å |
| 422 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126.1 | 170.6 | -56.9 | -53.1 | 0 | 0 | 0 | 108.5 | T342 S344 T379 L381 E407 M412 Y420 A428 | T342-I422 HydrophobicContact CG2-CB 4.05Å; T342-I422 HydrophobicContact CG2-CG2 3.97Å; T342-I422 WeakPolarHBondContact CG2-O 3.33Å; S344-I422 PolarHBondContact OG-N 2.76Å; T379-I422 HydrophobicContact CG2-CB 4.3Å; T379-I422 HydrophobicContact CG2-CG1 3.83Å; L381-I422 HydrophobicContact CD2-CD1 4.25Å; L381-I422 HydrophobicContact CD2-CG1 3.96Å; E407-I422 WeakPolarHBondContact OE1-CG1 3.21Å; E407-I422 WeakPolarHBondContact OE1-CG2 3.32Å; E407-I422 WeakPolarHBondContact OE2-CD1 3.28Å; M412-I422 HydrophobicContact CE-CD1 4.17Å; M412-I422 HydrophobicContact SD-CD1 3.84Å; Y420-I422 HydrophobicContact CD2-CD1 4.31Å; Y420-I422 HydrophobicContact CE2-CD1 3.98Å; I422-A428 HydrophobicContact CD1-CB 4.06Å |
| 423 | C | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.3 | 169.2 | -162.8 | 0 | 0 | 0 | 0 | 110.4 | R187 V189 C425 S427 T429 | R187-C423 WeakPolarHBondContact CA-SG 3.42Å; V189-C423 HydrophobicContact CG2-CB 3.78Å; V189-C423 VanDerWaalsContact CG2-SG 3.59Å; C423-C425 PolarHBondContact O-N 2.75Å; C423-S427 PolarHBondContact N-O 2.84Å; C423-S427 WeakPolarHBondContact O-CB 3.4Å; C423-S427 PolarHBondContact O-N 3.47Å; C423-T429 HydrophobicContact CB-CG2 4.33Å |
| 424 | C | 96.9 | Very high | 97 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -103.5 | -176.7 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | A280 S282 T342 N377 | A280-C424 HydrophobicContact CB-CB 3.41Å; A280-C424 VanDerWaalsContact CB-CB 3.41Å; S282-C424 PolarHBondContact OG-N 2.99Å; T342-C424 PolarHBondContact OG1-O 3.05Å; N377-C424 PolarHBondContact ND2-O 3.21Å |
| 425 | C | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -53.8 | -171.6 | -70.2 | 0 | 0 | 0 | 0 | 113 | W340 Q405 C423 L611 I613 G738 | W340-C425 VanDerWaalsContact CD1-SG 3.55Å; W340-C425 PolarHBondContact NE1-SG 3.27Å; Q405-C425 PolarHBondContact NE2-O 3.5Å; C423-C425 PolarHBondContact O-N 2.75Å; C425-L611 HydrophobicContact CB-CD1 3.93Å; C425-L611 HydrophobicContact CB-CD2 4Å; C425-I613 WeakPolarHBondContact SG-CD1 3.11Å; C425-G738 VanDerWaalsContact CA-O 3.3Å; C425-G738 WeakPolarHBondContact CA-O 3.19Å; C425-G738 VanDerWaalsContact CB-O 3.3Å; C425-G738 WeakPolarHBondContact CB-O 3.41Å; C425-G738 PolarHBondContact SG-O 2.83Å |
| 426 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.1 | 13.7 | -164.9 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | E407 L611 D668 G669 H705 H706 | E407-V426 WeakPolarHBondContact OE2-CA 3.37Å; V426-L611 HydrophobicContact CG2-CD1 4.38Å; V426-L611 HydrophobicContact CG2-CD2 4.17Å; V426-D668 CarbonylContact C-O 3.48Å; V426-G669 VanDerWaalsContact O-CA 3.3Å; V426-G669 WeakPolarHBondContact O-CA 3.44Å; V426-H705 PolarHBondContact O-CE1 3.48Å; V426-H706 HydrophobicContact CG1-CB 3.71Å; V426-H706 WeakPolarHBondContact CG1-CD2 3.28Å |
| 427 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 93.5 | -166.8 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | R187 C423 Q436 D668 | R187-S427 VanDerWaalsContact NH1-CB 3.32Å; R187-S427 PolarHBondContact NH1-OG 3.25Å; R187-S427 PolarHBondContact NH2-OG 3.38Å; C423-S427 PolarHBondContact N-O 2.84Å; C423-S427 WeakPolarHBondContact O-CB 3.4Å; C423-S427 PolarHBondContact O-N 3.47Å; S427-Q436 PolarHBondContact O-NE2 2.95Å; S427-D668 WeakPolarHBondContact CA-O 3.49Å; S427-D668 WeakPolarHBondContact CB-O 3.49Å; S427-D668 WeakPolarHBondContact CB-OD1 3.37Å; S427-D668 PolarHBondContact OG-O 3.19Å; S427-D668 PolarHBondContact OG-OD1 3.11Å |
| 428 | A | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.008 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 139.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M412 W416 Y420 A421 I422 Q436 | M412-A428 HydrophobicContact SD-CB 3.91Å; W416-A428 HydrophobicContact CD2-CB 4.05Å; W416-A428 HydrophobicContact CG-CB 3.96Å; W416-A428 HydrophobicContact CZ2-CB 4.32Å; Y420-A428 HydrophobicContact CD2-CB 3.84Å; Y420-A428 HydrophobicContact CE2-CB 4.27Å; A421-A428 WeakPolarHBondContact O-CA 3.48Å; I422-A428 HydrophobicContact CD1-CB 4.06Å; A428-Q436 PolarHBondContact O-NE2 3.22Å |
| 429 | T | 95.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.012 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 141.6 | 171.9 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | V189 Y420 A421 C423 T431 E434 | V189-T429 HydrophobicContact CB-CG2 4.42Å; V189-T429 HydrophobicContact CG2-CG2 4.13Å; Y420-T429 CarbonylContact C-O 3.4Å; Y420-T429 WeakPolarHBondContact CA-O 3.48Å; Y420-T429 VanDerWaalsContact CB-O 3.26Å; Y420-T429 WeakPolarHBondContact CB-O 3.32Å; A421-T429 PolarHBondContact N-O 2.83Å; A421-T429 PolarHBondContact O-N 3.41Å; C423-T429 HydrophobicContact CB-CG2 4.33Å; T429-T431 PolarHBondContact O-N 3.3Å; T429-E434 VanDerWaalsContact OG1-C 3.31Å; T429-E434 WeakPolarHBondContact OG1-CB 3.27Å; T429-E434 PolarHBondContact OG1-O 3.09Å |
| 430 | Q | 96.1 | Very high | 97.3 | Very high | 39 Ų | 39 | 7.6 Ų | 7.6 | 18% | 0.182 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 117.2 | 169.7 | -163.5 | -178.5 | 28.5 | 0 | 0 | 110.3 | G432 K433 E434 | Q430-G432 PolarHBondContact O-N 3.44Å; Q430-K433 HydrophobicContact CB-CB 4.22Å; Q430-K433 HydrophobicContact CG-CB 4.18Å; Q430-K433 HydrophobicContact CG-CD 4.08Å; Q430-K433 PolarHBondContact O-N 3.05Å; Q430-E434 HydrophobicContact CB-CG 3.87Å; Q430-E434 PolarHBondContact O-N 3.31Å; Q430-E434 VanDerWaalsContact O-N 3.15Å |
| 431 | T | 95.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 7.7 Ų | 7.7 | 4% | 0.037 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 125.9 | -171.1 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | D191 D419 T429 K433 | D191-T431 HydrophobicContact CB-CG2 4.02Å; D419-T431 VanDerWaalsContact O-CB 3.23Å; D419-T431 WeakPolarHBondContact O-CB 3.32Å; D419-T431 PolarHBondContact O-N 2.91Å; D419-T431 PolarHBondContact O-OG1 3.44Å; T429-T431 PolarHBondContact O-N 3.3Å; T431-K433 PolarHBondContact O-N 3.26Å |
| 432 | G | 95.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 6.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R194 Q430 M521 D522 | R194-G432 PolarHBondContact NH2-O 3.06Å; Q430-G432 PolarHBondContact O-N 3.44Å; G432-M521 CarbonylContact O-C 3.5Å; G432-M521 WeakPolarHBondContact O-CA 3.26Å; G432-M521 WeakPolarHBondContact O-CB 3.38Å; G432-D522 PolarHBondContact O-N 2.86Å |
| 433 | K | 96.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 7.7 Ų | 7.7 | 30% | 0.3 | 4% | 0.036 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -24.4 | -176.2 | -66.3 | -177.2 | 178.1 | -66.2 | 0 | 113.4 | Q430 T431 D522 L525 K526 | Q430-K433 HydrophobicContact CB-CB 4.22Å; Q430-K433 HydrophobicContact CG-CB 4.18Å; Q430-K433 HydrophobicContact CG-CD 4.08Å; Q430-K433 PolarHBondContact O-N 3.05Å; T431-K433 PolarHBondContact O-N 3.26Å; K433-D522 IonicContact NZ-OD2 3.83Å; K433-D522 PolarHBondContact NZ-OD2 3.22Å; K433-L525 WeakPolarHBondContact O-CD2 3.45Å; K433-K526 PolarHBondContact O-N 3.4Å |
| 434 | E | 96 | Very high | 97.4 | Very high | 24 Ų | 24 | 7.7 Ų | 7.7 | 11% | 0.112 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 151.4 | -176.5 | -47.2 | -173.1 | 155.4 | 0 | 0 | 111.5 | W416 T429 Q430 M521 K526 | W416-E434 WeakPolarHBondContact CZ3-OE2 3.3Å; T429-E434 VanDerWaalsContact OG1-C 3.31Å; T429-E434 WeakPolarHBondContact OG1-CB 3.27Å; T429-E434 PolarHBondContact OG1-O 3.09Å; Q430-E434 HydrophobicContact CB-CG 3.87Å; Q430-E434 PolarHBondContact O-N 3.31Å; Q430-E434 VanDerWaalsContact O-N 3.15Å; E434-M521 WeakPolarHBondContact O-CE 3.36Å; E434-K526 WeakPolarHBondContact CA-O 3.38Å; E434-K526 HydrophobicContact CB-CB 4.31Å; E434-K526 HydrophobicContact CG-CB 3.82Å; E434-K526 HydrophobicContact CG-CD 4.29Å; E434-K526 WeakPolarHBondContact OE1-CD 3.46Å |
| 435 | M | 96.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.01 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 159.4 | 172.6 | 64.6 | 172.4 | -72.5 | 0 | 0 | 110.3 | I188 F437 L518 M521 L525 K526 R527 T528 | I188-M435 HydrophobicContact CD1-CE 3.65Å; I188-M435 HydrophobicContact CG1-CB 4.21Å; I188-M435 HydrophobicContact CG1-CE 3.76Å; M435-F437 HydrophobicContact CE-CD1 3.84Å; M435-F437 HydrophobicContact CE-CE1 3.69Å; M435-L518 HydrophobicContact SD-CD2 3.82Å; M435-M521 HydrophobicContact CB-CE 4.47Å; M435-L525 HydrophobicContact CG-CD1 4.48Å; M435-L525 HydrophobicContact SD-CD1 4.22Å; M435-K526 PolarHBondContact N-O 3.25Å; M435-K526 VanDerWaalsContact N-O 3.12Å; M435-R527 HydrophobicContact CG-CG 3.81Å; M435-R527 WeakPolarHBondContact O-CA 3.32Å; M435-R527 HydrophobicContact SD-CG 4.26Å; M435-T528 PolarHBondContact O-N 3.08Å; M435-T528 VanDerWaalsContact O-N 3.1Å |
| 436 | Q | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 1% | 0.014 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.1 | 174.7 | -49.7 | 99.6 | -19.1 | 0 | 0 | 111.3 | R187 S427 A428 F438 T528 A530 | R187-Q436 HydrophobicContact CB-CB 4.13Å; R187-Q436 WeakPolarHBondContact CB-O 3.48Å; R187-Q436 PolarHBondContact O-N 3.44Å; R187-Q436 VanDerWaalsContact O-N 3.16Å; R187-Q436 PolarHBondContact O-OE1 3.38Å; R187-Q436 VanDerWaalsContact O-OE1 3.1Å; S427-Q436 PolarHBondContact O-NE2 2.95Å; A428-Q436 PolarHBondContact O-NE2 3.22Å; Q436-F438 PolarHBondContact O-N 2.82Å; Q436-T528 WeakPolarHBondContact CB-OG1 3.48Å; Q436-T528 WeakPolarHBondContact CG-OG1 3Å; Q436-A530 HydrophobicContact CB-CB 4.07Å |
| 437 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 102.8 | 164.8 | -79.2 | -27 | 0 | 0 | 0 | 109.1 | M435 G439 H505 R527 T528 F529 A530 Y601 R602 | M435-F437 HydrophobicContact CE-CD1 3.84Å; M435-F437 HydrophobicContact CE-CE1 3.69Å; F437-G439 PolarHBondContact O-N 3.22Å; F437-H505 VanDerWaalsContact C-CE1 3.5Å; F437-H505 HydrophobicContact CD1-CB 4.08Å; F437-H505 AromaticContact CD1-CG 3.88Å; F437-H505 AromaticContact CD1-ND1 3.78Å; F437-H505 HydrophobicContact CD2-CB 4.19Å; F437-H505 HydrophobicContact CE1-CB 4.28Å; F437-H505 HydrophobicContact CE2-CB 4.34Å; F437-H505 HydrophobicContact CG-CB 4.04Å; F437-H505 AromaticContact CG-CD2 3.98Å; F437-H505 AromaticContact CG-CG 3.67Å; F437-H505 AromaticContact CG-ND1 3.87Å; F437-H505 HydrophobicContact CZ-CB 4.37Å; F437-R527 HydrophobicContact CE2-CB 4.47Å; F437-T528 PolarHBondContact N-O 3.4Å; F437-F529 HydrophobicContact CB-CD2 4.2Å; F437-F529 HydrophobicContact CD2-CD2 4.1Å; F437-A530 WeakPolarHBondContact O-CB 3.44Å; F437-A530 PolarHBondContact O-N 3.08Å; F437-Y601 HydrophobicContact CD2-CD1 4.3Å; F437-Y601 AromaticContact CE2-CD1 3.49Å; F437-Y601 HydrophobicContact CE2-CD1 3.49Å; F437-Y601 VanDerWaalsContact CE2-CD1 3.49Å; F437-Y601 AromaticContact CE2-CE1 3.93Å; F437-Y601 HydrophobicContact CE2-CE1 3.93Å; F437-Y601 AromaticContact CZ-CD1 3.76Å; F437-Y601 HydrophobicContact CZ-CD1 3.76Å; F437-Y601 AromaticContact CZ-CE1 3.69Å; F437-Y601 HydrophobicContact CZ-CE1 3.69Å; F437-R602 HydrophobicContact CE2-CB 4.43Å |
| 438 | F | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 3% | 0.026 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 124 | -174 | -175.8 | -134.1 | 0 | 0 | 0 | 113.8 | P180 Y183 R185 R187 A279 F334 Q436 A440 H505 | P180-F438 HydrophobicContact CB-CD1 4.34Å; P180-F438 HydrophobicContact CG-CB 4.49Å; P180-F438 HydrophobicContact CG-CD1 4.04Å; P180-F438 WeakPolarHBondContact CG-O 3.42Å; Y183-F438 HydrophobicContact CE2-CD1 4.42Å; Y183-F438 HydrophobicContact CE2-CE1 4.14Å; R185-F438 HydrophobicContact CB-CB 4.39Å; R185-F438 WeakPolarHBondContact O-CB 3.4Å; R185-F438 WeakPolarHBondContact O-CD1 3.4Å; R187-F438 HydrophobicContact CB-CB 3.98Å; R187-F438 HydrophobicContact CG-CB 3.47Å; R187-F438 VanDerWaalsContact CG-CB 3.47Å; R187-F438 HydrophobicContact CG-CD2 3.59Å; R187-F438 HydrophobicContact CG-CG 3.66Å; A279-F438 HydrophobicContact CB-CE1 4.08Å; F334-F438 HydrophobicContact CZ-CE1 4.43Å; Q436-F438 PolarHBondContact O-N 2.82Å; F438-A440 HydrophobicContact CE1-CB 4.2Å; F438-A440 HydrophobicContact CZ-CB 3.93Å; F438-H505 PolarHBondContact N-CE1 3.36Å; F438-H505 PolarHBondContact O-CE1 2.99Å; F438-H505 PolarHBondContact O-NE2 3.04Å |
| 439 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -100.4 | -11.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L179 F437 R441 Y497 L501 A530 | L179-G439 WeakPolarHBondContact CG-O 3.23Å; F437-G439 PolarHBondContact O-N 3.22Å; G439-R441 PolarHBondContact O-N 3.23Å; G439-Y497 WeakPolarHBondContact O-CE2 3.23Å; G439-Y497 PolarHBondContact O-OH 3.43Å; G439-L501 VanDerWaalsContact CA-CD1 3.5Å; G439-A530 WeakPolarHBondContact CA-O 3.36Å; G439-A530 PolarHBondContact N-O 2.76Å | ||
| 440 | A | 96.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 7.5 Ų | 7.5 | 3% | 0.033 | 4% | 0.035 | C | C | . | . | trans | 57.8 | -121.6 | -158.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G178 F438 Y497 G532 | G178-A440 WeakPolarHBondContact O-CB 3.47Å; F438-A440 HydrophobicContact CE1-CB 4.2Å; F438-A440 HydrophobicContact CZ-CB 3.93Å; A440-Y497 PolarHBondContact O-OH 2.73Å; A440-G532 WeakPolarHBondContact O-CA 3.47Å | ||
| 441 | R | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 0% | 0.004 | 3% | 0.027 | C | C | . | . | trans | -159.5 | 152 | -177.8 | 74.5 | -66.8 | -78.2 | -178.8 | 2 | 113.5 | G439 Y497 G532 A534 L611 T612 S615 Y619 | G439-R441 PolarHBondContact O-N 3.23Å; R441-Y497 WeakPolarHBondContact CA-OH 3.41Å; R441-Y497 PolarHBondContact N-OH 3.04Å; R441-Y497 VanDerWaalsContact N-OH 3.08Å; R441-G532 CarbonylContact C-O 3.45Å; R441-G532 VanDerWaalsContact CA-O 3.24Å; R441-G532 WeakPolarHBondContact CA-O 3.46Å; R441-G532 WeakPolarHBondContact CB-O 3.48Å; R441-A534 HydrophobicContact CG-CB 3.77Å; R441-L611 PolarHBondContact NE-O 2.88Å; R441-T612 PolarHBondContact NE-O 3.21Å; R441-T612 PolarHBondContact NH1-O 3.48Å; R441-T612 PolarHBondContact NH2-O 3.39Å; R441-S615 VanDerWaalsContact CD-CB 3.5Å; R441-S615 WeakPolarHBondContact CD-OG 3.46Å; R441-S615 PolarHBondContact NH1-OG 2.9Å; R441-Y619 HydrophobicContact CG-CE2 3.92Å; R441-Y619 PolarHBondContact O-OH 3.41Å | ||
| 442 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 152.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I176 L444 L493 Y497 G532 A534 F591 | I176-A442 HydrophobicContact CG2-CB 3.82Å; A442-L444 HydrophobicContact CB-CD1 4.21Å; A442-L444 PolarHBondContact O-N 3.08Å; A442-L493 HydrophobicContact CB-CD1 4.25Å; A442-L493 HydrophobicContact CB-CD2 4.12Å; A442-L493 HydrophobicContact CB-CG 4.33Å; A442-Y497 HydrophobicContact CB-CD1 3.71Å; A442-Y497 HydrophobicContact CB-CE1 3.74Å; A442-Y497 HydrophobicContact CB-CG 4.4Å; A442-G532 PolarHBondContact N-O 2.84Å; A442-A534 WeakPolarHBondContact O-CB 3.33Å; A442-A534 PolarHBondContact O-N 3.19Å; A442-F591 HydrophobicContact CB-CZ 4.45Å |
| 443 | N | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 91.1 | -178.4 | -174.8 | -6.1 | 0 | 0 | 0 | 111 | K174 I175 A445 K446 A447 Y619 T623 | K174-N443 PolarHBondContact O-ND2 3.19Å; K174-N443 VanDerWaalsContact O-ND2 3.1Å; I175-N443 PolarHBondContact O-N 2.71Å; N443-A445 VanDerWaalsContact C-N 3.31Å; N443-A445 PolarHBondContact O-N 2.82Å; N443-A445 PolarHBondContact OD1-N 3.13Å; N443-K446 HydrophobicContact CB-CB 4.21Å; N443-K446 VanDerWaalsContact CG-CB 3.45Å; N443-K446 VanDerWaalsContact ND2-CB 3.3Å; N443-K446 WeakPolarHBondContact ND2-CB 3.41Å; N443-K446 PolarHBondContact O-N 3.26Å; N443-K446 PolarHBondContact OD1-N 2.89Å; N443-A447 PolarHBondContact O-N 3.46Å; N443-Y619 HydrophobicContact CB-CD1 3.65Å; N443-Y619 HydrophobicContact CB-CD2 4.09Å; N443-Y619 HydrophobicContact CB-CE1 3.7Å; N443-Y619 HydrophobicContact CB-CE2 4.14Å; N443-Y619 HydrophobicContact CB-CG 3.85Å; N443-Y619 WeakPolarHBondContact ND2-CD1 3.42Å; N443-T623 PolarHBondContact ND2-OG1 3.47Å |
| 444 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -71.1 | -28.9 | -179.8 | -88 | 67.2 | 0 | 0 | 0 | 111.9 | A442 K446 A447 L448 Y486 L490 L493 I533 A534 V539 V587 F591 | A442-L444 HydrophobicContact CB-CD1 4.21Å; A442-L444 PolarHBondContact O-N 3.08Å; L444-K446 PolarHBondContact O-N 3.35Å; L444-A447 WeakPolarHBondContact O-CB 3.42Å; L444-A447 PolarHBondContact O-N 3.44Å; L444-L448 PolarHBondContact O-N 3.09Å; L444-Y486 PolarHBondContact O-OH 3.45Å; L444-L490 HydrophobicContact CD2-CD2 4.28Å; L444-L490 HydrophobicContact CG-CD2 4.04Å; L444-L493 HydrophobicContact CD1-CD2 4.12Å; L444-I533 HydrophobicContact CB-CG2 4.43Å; L444-I533 HydrophobicContact CD1-CB 4.38Å; L444-I533 HydrophobicContact CD1-CG1 4.18Å; L444-I533 HydrophobicContact CD1-CG2 4.02Å; L444-I533 HydrophobicContact CD2-CD1 4.39Å; L444-I533 HydrophobicContact CD2-CG1 4.16Å; L444-I533 HydrophobicContact CD2-CG2 3.71Å; L444-I533 HydrophobicContact CG-CG2 4.25Å; L444-A534 PolarHBondContact N-O 2.87Å; L444-V539 HydrophobicContact CB-CG2 4.09Å; L444-V587 HydrophobicContact CD2-CG1 3.97Å; L444-F591 HydrophobicContact CD1-CD1 4.4Å; L444-F591 HydrophobicContact CD1-CE1 4.09Å; L444-F591 HydrophobicContact CD1-CE2 4.33Å; L444-F591 HydrophobicContact CD1-CZ 4.05Å; L444-F591 HydrophobicContact CD2-CB 4.36Å; L444-F591 HydrophobicContact CD2-CD1 4.41Å; L444-F591 HydrophobicContact CD2-CD2 4.44Å; L444-F591 HydrophobicContact CD2-CG 4.16Å |
| 445 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N443 A447 L448 L449 V539 T623 M626 L636 | N443-A445 VanDerWaalsContact C-N 3.31Å; N443-A445 PolarHBondContact O-N 2.82Å; N443-A445 PolarHBondContact OD1-N 3.13Å; A445-A447 VanDerWaalsContact C-N 3.32Å; A445-A447 PolarHBondContact O-N 3.06Å; A445-L448 WeakPolarHBondContact O-CB 3.36Å; A445-L448 PolarHBondContact O-N 3.11Å; A445-L449 PolarHBondContact O-N 3.36Å; A445-V539 HydrophobicContact CB-CG2 4.35Å; A445-T623 HydrophobicContact CB-CG2 4.35Å; A445-M626 HydrophobicContact CB-CE 3.69Å; A445-M626 HydrophobicContact CB-SD 4Å; A445-M626 WeakPolarHBondContact O-CE 3.25Å; A445-L636 HydrophobicContact CB-CD1 4.27Å; A445-L636 HydrophobicContact CB-CD2 3.93Å |
| 446 | K | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -66.4 | -34.1 | 175 | -179.7 | 171.5 | -77.5 | -72 | 0 | 112.5 | A173 I175 N443 L444 L448 L449 Y450 D457 E458 A622 T623 | A173-K446 WeakPolarHBondContact O-CD 3.41Å; A173-K446 VanDerWaalsContact O-CE 3.26Å; A173-K446 WeakPolarHBondContact O-CE 3.36Å; I175-K446 HydrophobicContact CB-CD 4.05Å; I175-K446 HydrophobicContact CD1-CG 4.29Å; I175-K446 HydrophobicContact CG1-CD 4.46Å; I175-K446 HydrophobicContact CG1-CG 4.4Å; N443-K446 HydrophobicContact CB-CB 4.21Å; N443-K446 VanDerWaalsContact CG-CB 3.45Å; N443-K446 VanDerWaalsContact ND2-CB 3.3Å; N443-K446 WeakPolarHBondContact ND2-CB 3.41Å; N443-K446 PolarHBondContact O-N 3.26Å; N443-K446 PolarHBondContact OD1-N 2.89Å; L444-K446 PolarHBondContact O-N 3.35Å; K446-L448 VanDerWaalsContact C-N 3.26Å; K446-L448 PolarHBondContact O-N 2.85Å; K446-L449 PolarHBondContact O-N 2.92Å; K446-L449 VanDerWaalsContact O-N 3.12Å; K446-Y450 HydrophobicContact CD-CE1 3.87Å; K446-Y450 HydrophobicContact CG-CD1 3.89Å; K446-Y450 HydrophobicContact CG-CE1 3.45Å; K446-Y450 VanDerWaalsContact CG-CE1 3.45Å; K446-Y450 VanDerWaalsContact O-CD1 3.27Å; K446-Y450 WeakPolarHBondContact O-CD1 3.49Å; K446-Y450 PolarHBondContact O-N 3.24Å; K446-D457 IonicContact NZ-OD2 3.26Å; K446-D457 PolarHBondContact NZ-OD2 3.32Å; K446-E458 IonicContact NZ-OE1 2.71Å; K446-E458 PolarHBondContact NZ-OE1 3.37Å; K446-E458 IonicContact NZ-OE2 3.7Å; K446-E458 PolarHBondContact NZ-OE2 3.38Å; K446-A622 WeakPolarHBondContact CE-O 3.47Å; K446-A622 PolarHBondContact NZ-O 3.25Å; K446-T623 HydrophobicContact CB-CG2 4.4Å |
| 447 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I175 N443 L444 A445 Y450 A451 Y486 V489 L490 L493 | I175-A447 HydrophobicContact CD1-CB 4.31Å; N443-A447 PolarHBondContact O-N 3.46Å; L444-A447 WeakPolarHBondContact O-CB 3.42Å; L444-A447 PolarHBondContact O-N 3.44Å; A445-A447 VanDerWaalsContact C-N 3.32Å; A445-A447 PolarHBondContact O-N 3.06Å; A447-Y450 PolarHBondContact O-N 2.98Å; A447-A451 PolarHBondContact O-N 3.17Å; A447-Y486 HydrophobicContact CB-CE2 3.95Å; A447-V489 HydrophobicContact CB-CG1 3.95Å; A447-V489 WeakPolarHBondContact O-CG1 3.48Å; A447-L490 HydrophobicContact CB-CD2 4.48Å; A447-L493 HydrophobicContact CB-CD2 3.88Å |
| 448 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 173.6 | -176.6 | 61.8 | 0 | 0 | 0 | 111.8 | L444 A445 K446 Y450 A451 I452 V482 Y486 L543 M626 P627 | L444-L448 PolarHBondContact O-N 3.09Å; A445-L448 WeakPolarHBondContact O-CB 3.36Å; A445-L448 PolarHBondContact O-N 3.11Å; K446-L448 VanDerWaalsContact C-N 3.26Å; K446-L448 PolarHBondContact O-N 2.85Å; L448-Y450 VanDerWaalsContact C-N 3.32Å; L448-Y450 PolarHBondContact O-N 2.74Å; L448-A451 WeakPolarHBondContact O-CB 3.36Å; L448-A451 PolarHBondContact O-N 2.8Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 3.34Å; L448-V482 HydrophobicContact CD1-CG1 3.8Å; L448-Y486 HydrophobicContact CB-CD2 4.06Å; L448-Y486 HydrophobicContact CB-CE2 3.81Å; L448-Y486 HydrophobicContact CD1-CD1 4.19Å; L448-Y486 HydrophobicContact CD1-CD2 3.87Å; L448-Y486 HydrophobicContact CD1-CE2 4.32Å; L448-Y486 HydrophobicContact CD1-CG 3.8Å; L448-Y486 VanDerWaalsContact N-CE2 3.35Å; L448-L543 HydrophobicContact CD1-CD2 4.22Å; L448-M626 HydrophobicContact CB-CE 4.41Å; L448-M626 HydrophobicContact CD2-CE 3.99Å; L448-P627 HydrophobicContact CD2-CG 4.48Å |
| 449 | L | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 8.2 Ų | 8.2 | 2% | 0.016 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 174.4 | -59.1 | -174.6 | 0 | 0 | 0 | 112 | A445 K446 A451 I452 N453 E458 F564 T623 M626 | A445-L449 PolarHBondContact O-N 3.36Å; K446-L449 PolarHBondContact O-N 2.92Å; K446-L449 VanDerWaalsContact O-N 3.12Å; L449-A451 VanDerWaalsContact C-N 3.3Å; L449-A451 PolarHBondContact O-N 3.38Å; L449-I452 PolarHBondContact O-N 3.41Å; L449-N453 WeakPolarHBondContact O-CB 3.38Å; L449-N453 PolarHBondContact O-N 3.49Å; L449-E458 HydrophobicContact CD1-CG 3.87Å; L449-F564 HydrophobicContact CD2-CE2 4.01Å; L449-F564 HydrophobicContact CD2-CZ 4.19Å; L449-T623 HydrophobicContact CD1-CG2 3.72Å; L449-M626 HydrophobicContact CD1-SD 3.9Å; L449-M626 HydrophobicContact CD2-SD 3.73Å; L449-M626 HydrophobicContact CG-SD 3.69Å |
| 450 | Y | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66 | -34.7 | 174.9 | -79.4 | 28.6 | 0 | 0 | 0 | 111.3 | A173 I175 K446 A447 L448 I452 N453 G454 G455 D457 V464 W492 | A173-Y450 WeakPolarHBondContact CB-OH 3.27Å; I175-Y450 HydrophobicContact CD1-CD2 3.58Å; I175-Y450 HydrophobicContact CD1-CE2 3.52Å; I175-Y450 HydrophobicContact CD1-CG 4.15Å; K446-Y450 HydrophobicContact CD-CE1 3.87Å; K446-Y450 HydrophobicContact CG-CD1 3.89Å; K446-Y450 HydrophobicContact CG-CE1 3.45Å; K446-Y450 VanDerWaalsContact CG-CE1 3.45Å; K446-Y450 VanDerWaalsContact O-CD1 3.27Å; K446-Y450 WeakPolarHBondContact O-CD1 3.49Å; K446-Y450 PolarHBondContact O-N 3.24Å; A447-Y450 PolarHBondContact O-N 2.98Å; L448-Y450 VanDerWaalsContact C-N 3.32Å; L448-Y450 PolarHBondContact O-N 2.74Å; Y450-I452 VanDerWaalsContact C-N 3.31Å; Y450-I452 PolarHBondContact O-N 2.88Å; Y450-N453 CarbonylContact O-C 3.58Å; Y450-N453 PolarHBondContact O-N 3.46Å; Y450-G454 PolarHBondContact O-N 3.02Å; Y450-G455 PolarHBondContact O-N 3.49Å; Y450-D457 HydrophobicContact CE1-CB 3.92Å; Y450-D457 WeakPolarHBondContact CE1-OD2 3.35Å; Y450-D457 WeakPolarHBondContact OH-CB 3.49Å; Y450-D457 PolarHBondContact OH-OD2 2.83Å; Y450-V464 HydrophobicContact CE2-CB 3.82Å; Y450-V464 HydrophobicContact CE2-CG1 3.97Å; Y450-W492 HydrophobicContact CD2-CH2 4.38Å; Y450-W492 HydrophobicContact CD2-CZ3 4.13Å; Y450-W492 HydrophobicContact CE2-CH2 4.29Å; Y450-W492 HydrophobicContact CE2-CZ3 4.46Å |
| 451 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.017 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A447 L448 L449 K485 Y486 V489 | A447-A451 PolarHBondContact O-N 3.17Å; L448-A451 WeakPolarHBondContact O-CB 3.36Å; L448-A451 PolarHBondContact O-N 2.8Å; L449-A451 VanDerWaalsContact C-N 3.3Å; L449-A451 PolarHBondContact O-N 3.38Å; A451-K485 HydrophobicContact CB-CB 4.03Å; A451-K485 WeakPolarHBondContact O-CD 3.31Å; A451-Y486 HydrophobicContact CB-CD2 4.25Å; A451-V489 HydrophobicContact CB-CB 4.39Å; A451-V489 HydrophobicContact CB-CG2 3.88Å |
| 452 | I | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.6 | -43 | 176.3 | -63.7 | 168.4 | 0 | 0 | 0 | 110.9 | L448 L449 Y450 I471 L477 V561 F564 P627 | L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 3.34Å; L449-I452 PolarHBondContact O-N 3.41Å; Y450-I452 VanDerWaalsContact C-N 3.31Å; Y450-I452 PolarHBondContact O-N 2.88Å; I452-I471 HydrophobicContact CG1-CD1 4.17Å; I452-I471 PolarHBondContact O-N 3.4Å; I452-L477 HydrophobicContact CD1-CD1 4.1Å; I452-V561 HydrophobicContact CG2-CB 4.01Å; I452-V561 HydrophobicContact CG2-CG1 4.34Å; I452-V561 HydrophobicContact CG2-CG2 3.78Å; I452-F564 HydrophobicContact CD1-CE1 4.06Å; I452-F564 HydrophobicContact CD1-CZ 3.79Å; I452-P627 HydrophobicContact CD1-CG 4.07Å |
| 453 | N | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 21.8 Ų | 21.8 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -96 | 11.7 | -172.8 | -73.1 | -35 | 0 | 0 | 0 | 115.1 | L449 Y450 G455 V456 V561 | L449-N453 WeakPolarHBondContact O-CB 3.38Å; L449-N453 PolarHBondContact O-N 3.49Å; Y450-N453 CarbonylContact O-C 3.58Å; Y450-N453 PolarHBondContact O-N 3.46Å; N453-G455 PolarHBondContact O-N 3.46Å; N453-V456 WeakPolarHBondContact O-CB 3.09Å; N453-V456 PolarHBondContact O-N 3.34Å; N453-V561 PolarHBondContact ND2-O 3.18Å; N453-V561 VanDerWaalsContact OD1-CB 3.26Å; N453-V561 WeakPolarHBondContact OD1-CB 3.09Å; N453-V561 WeakPolarHBondContact OD1-CG2 3.17Å; N453-V561 PolarHBondContact OD1-N 3.04Å |
| 454 | G | 97.8 | Very high | 98 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 33.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y450 V456 Q463 F468 | Y450-G454 PolarHBondContact O-N 3.02Å; G454-V456 VanDerWaalsContact C-N 3.27Å; G454-V456 PolarHBondContact O-N 3.5Å; G454-Q463 PolarHBondContact O-NE2 3.1Å; G454-F468 CarbonylContact C-O 3.54Å; G454-F468 WeakPolarHBondContact CA-O 3.45Å; G454-F468 PolarHBondContact O-N 3.31Å |
| 455 | G | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 0.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y450 N453 Q463 V464 G465 | Y450-G455 PolarHBondContact O-N 3.49Å; N453-G455 PolarHBondContact O-N 3.46Å; G455-Q463 PolarHBondContact O-NE2 3Å; G455-V464 PolarHBondContact O-N 3.13Å; G455-V464 VanDerWaalsContact O-N 3.13Å; G455-G465 PolarHBondContact O-N 3.09Å |
| 456 | V | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 13% | 0.133 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -78.1 | 131.3 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 110 | N453 G454 E458 I560 | N453-V456 WeakPolarHBondContact O-CB 3.09Å; N453-V456 PolarHBondContact O-N 3.34Å; G454-V456 VanDerWaalsContact C-N 3.27Å; G454-V456 PolarHBondContact O-N 3.5Å; V456-E458 PolarHBondContact O-N 2.84Å; V456-I560 HydrophobicContact CB-CD1 4.09Å; V456-I560 HydrophobicContact CG1-CD1 3.75Å; V456-I560 HydrophobicContact CG1-CG1 4.44Å; V456-I560 HydrophobicContact CG2-CD1 4.38Å |
| 457 | D | 98.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.032 | 18% | 0.178 | C | C | . | . | trans | -71.4 | 123.3 | 174 | -176.5 | -103.9 | 0 | 0 | 0 | 111.2 | K446 Y450 K459 S460 K461 A462 V464 | K446-D457 IonicContact NZ-OD2 3.26Å; K446-D457 PolarHBondContact NZ-OD2 3.32Å; Y450-D457 HydrophobicContact CE1-CB 3.92Å; Y450-D457 WeakPolarHBondContact CE1-OD2 3.35Å; Y450-D457 WeakPolarHBondContact OH-CB 3.49Å; Y450-D457 PolarHBondContact OH-OD2 2.83Å; D457-K459 PolarHBondContact O-N 3.45Å; D457-K459 VanDerWaalsContact O-N 3.13Å; D457-K459 PolarHBondContact OD1-N 3.08Å; D457-S460 WeakPolarHBondContact CB-OG 3.17Å; D457-S460 WeakPolarHBondContact OD1-CB 3.37Å; D457-S460 PolarHBondContact OD1-N 3.25Å; D457-S460 PolarHBondContact OD1-OG 3.08Å; D457-K461 WeakPolarHBondContact O-CA 3.45Å; D457-K461 PolarHBondContact O-N 3.21Å; D457-A462 PolarHBondContact N-O 2.8Å; D457-V464 HydrophobicContact CB-CG2 3.95Å | ||
| 458 | E | 97.5 | Very high | 97.7 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.6 | -172.3 | 77.5 | -69.6 | 172.6 | 0 | 0 | 113.9 | K446 L449 V456 I560 T623 G624 | K446-E458 IonicContact NZ-OE1 2.71Å; K446-E458 PolarHBondContact NZ-OE1 3.37Å; K446-E458 IonicContact NZ-OE2 3.7Å; K446-E458 PolarHBondContact NZ-OE2 3.38Å; L449-E458 HydrophobicContact CD1-CG 3.87Å; V456-E458 PolarHBondContact O-N 2.84Å; E458-I560 HydrophobicContact CB-CG2 4.45Å; E458-T623 WeakPolarHBondContact OE1-CA 3.2Å; E458-G624 PolarHBondContact OE1-N 2.9Å |
| 459 | K | 96 | Very high | 97.5 | Very high | 114 Ų | 114 | 42.1 Ų | 42.1 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -49.8 | 179.4 | -64.5 | -164.2 | 75.8 | 178.1 | 0 | 112.5 | D457 K621 A622 | D457-K459 PolarHBondContact O-N 3.45Å; D457-K459 VanDerWaalsContact O-N 3.13Å; D457-K459 PolarHBondContact OD1-N 3.08Å; K459-K621 PolarHBondContact NZ-O 3.22Å; K459-A622 WeakPolarHBondContact CD-O 3.32Å |
| 460 | S | 95.9 | Very high | 97.4 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14 | -176.8 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | D457 A462 | D457-S460 WeakPolarHBondContact CB-OG 3.17Å; D457-S460 WeakPolarHBondContact OD1-CB 3.37Å; D457-S460 PolarHBondContact OD1-N 3.25Å; D457-S460 PolarHBondContact OD1-OG 3.08Å; S460-A462 PolarHBondContact O-N 3.23Å; S460-A462 VanDerWaalsContact O-N 3.13Å |
| 461 | K | 96.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 44.3 Ų | 44.3 | 39% | 0.387 | 23% | 0.23 | S | C | . | . | trans | 60.2 | 15 | -175.7 | -50 | -175.8 | 174.7 | -161.7 | 0 | 113.6 | D457 D556 D558 | D457-K461 WeakPolarHBondContact O-CA 3.45Å; D457-K461 PolarHBondContact O-N 3.21Å; K461-D556 WeakPolarHBondContact CE-OD2 3.48Å; K461-D556 IonicContact NZ-OD2 3.85Å; K461-D556 PolarHBondContact NZ-OD2 2.82Å; K461-D558 VanDerWaalsContact CD-OD2 3.29Å; K461-D558 WeakPolarHBondContact CD-OD2 3.24Å; K461-D558 IonicContact NZ-OD2 3.46Å; K461-D558 PolarHBondContact NZ-OD2 3.45Å | ||
| 462 | A | 97 | Very high | 97 | Very high | 45 Ų | 45 | 49.6 Ų | 49.6 | 37% | 0.372 | 26% | 0.255 | S | S | . | . | trans | -87.2 | 142.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | D457 S460 V464 | D457-A462 PolarHBondContact N-O 2.8Å; S460-A462 PolarHBondContact O-N 3.23Å; S460-A462 VanDerWaalsContact O-N 3.13Å; A462-V464 HydrophobicContact CB-CG2 4.27Å; A462-V464 PolarHBondContact O-N 2.76Å | ||
| 463 | Q | 97.6 | Very high | 96.7 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -68.9 | 110 | 165.7 | -168.6 | 68.4 | 45.3 | 0 | 0 | 108.6 | G454 G455 G465 P466 | G454-Q463 PolarHBondContact O-NE2 3.1Å; G455-Q463 PolarHBondContact O-NE2 3Å; Q463-G465 WeakPolarHBondContact CG-O 3.32Å; Q463-G465 PolarHBondContact NE2-O 3.34Å; Q463-P466 PolarHBondContact NE2-O 3.12Å |
| 464 | V | 98.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 57 Ų | 57 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | trans | -111.6 | -48.6 | -178.5 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | A169 A173 Y450 G455 D457 A462 | A169-V464 HydrophobicContact CB-CG1 4.48Å; A173-V464 HydrophobicContact CB-CB 4.37Å; A173-V464 HydrophobicContact CB-CG1 3.85Å; A173-V464 HydrophobicContact CB-CG2 3.81Å; Y450-V464 HydrophobicContact CE2-CB 3.82Å; Y450-V464 HydrophobicContact CE2-CG1 3.97Å; G455-V464 PolarHBondContact O-N 3.13Å; G455-V464 VanDerWaalsContact O-N 3.13Å; D457-V464 HydrophobicContact CB-CG2 3.95Å; A462-V464 HydrophobicContact CB-CG2 4.27Å; A462-V464 PolarHBondContact O-N 2.76Å | ||
| 465 | G | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -75.1 | 173.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G455 Q463 | G455-G465 PolarHBondContact O-N 3.09Å; Q463-G465 WeakPolarHBondContact CG-O 3.32Å; Q463-G465 PolarHBondContact NE2-O 3.34Å |
| 466 | P | 97.7 | Very high | 96.2 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | trans | -51.4 | 152.7 | 166.6 | -23.2 | 33.4 | 0 | 0 | 0 | 111.1 | Q463 F468 W492 | Q463-P466 PolarHBondContact NE2-O 3.12Å; P466-F468 HydrophobicContact CB-CD1 4.39Å; P466-F468 HydrophobicContact CB-CD2 4.07Å; P466-F468 HydrophobicContact CB-CE1 4.09Å; P466-F468 HydrophobicContact CB-CE2 3.77Å; P466-F468 HydrophobicContact CB-CG 4.39Å; P466-F468 HydrophobicContact CB-CZ 3.77Å; P466-F468 HydrophobicContact CG-CD2 4.41Å; P466-F468 HydrophobicContact CG-CE1 4.39Å; P466-F468 HydrophobicContact CG-CE2 3.66Å; P466-F468 HydrophobicContact CG-CZ 3.65Å; P466-F468 WeakPolarHBondContact O-CD2 3.46Å; P466-F468 PolarHBondContact O-N 3.33Å; P466-W492 VanDerWaalsContact CD-CD1 3.49Å; P466-W492 HydrophobicContact CG-CB 4.24Å; P466-W492 VanDerWaalsContact CG-CD1 3.45Å; P466-W492 HydrophobicContact CG-CD2 4.28Å; P466-W492 HydrophobicContact CG-CG 3.71Å | ||
| 467 | D | 97 | Very high | 96.2 | Very high | 143 Ų | 143 | 63.6 Ų | 63.6 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | trans | -72.1 | 69 | 176 | -172.5 | 17.4 | 0 | 0 | 0 | 110.2 | ||||
| 468 | F | 96.3 | Very high | 96.2 | Very high | 42 Ų | 42 | 67.5 Ų | 67.5 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 152.1 | 175.3 | -65.7 | -61.8 | 0 | 0 | 0 | 109.4 | G454 P466 P470 E488 V489 W492 | G454-F468 CarbonylContact C-O 3.54Å; G454-F468 WeakPolarHBondContact CA-O 3.45Å; G454-F468 PolarHBondContact O-N 3.31Å; P466-F468 HydrophobicContact CB-CD1 4.39Å; P466-F468 HydrophobicContact CB-CD2 4.07Å; P466-F468 HydrophobicContact CB-CE1 4.09Å; P466-F468 HydrophobicContact CB-CE2 3.77Å; P466-F468 HydrophobicContact CB-CG 4.39Å; P466-F468 HydrophobicContact CB-CZ 3.77Å; P466-F468 HydrophobicContact CG-CD2 4.41Å; P466-F468 HydrophobicContact CG-CE1 4.39Å; P466-F468 HydrophobicContact CG-CE2 3.66Å; P466-F468 HydrophobicContact CG-CZ 3.65Å; P466-F468 WeakPolarHBondContact O-CD2 3.46Å; P466-F468 PolarHBondContact O-N 3.33Å; F468-P470 WeakPolarHBondContact O-CD 3.36Å; F468-E488 HydrophobicContact CE1-CB 4.17Å; F468-E488 HydrophobicContact CZ-CB 4.45Å; F468-V489 HydrophobicContact CD2-CG2 3.81Å; F468-V489 HydrophobicContact CE2-CB 4.48Å; F468-V489 HydrophobicContact CE2-CG2 3.73Å; F468-W492 HydrophobicContact CE2-CB 4.44Å; F468-W492 HydrophobicContact CZ-CB 4.17Å |
| 469 | R | 95.1 | Very high | 96.2 | Very high | 165 Ų | 165 | 68.4 Ų | 68.4 | 62% | 0.623 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -68 | 123.7 | 173.2 | -171.2 | 176.4 | -179.8 | -166.4 | -4.7 | 109.2 | E472 K485 | R469-E472 IonicContact CZ-OE1 3.92Å; R469-E472 IonicContact CZ-OE2 2.77Å; R469-E472 IonicContact NE-OE1 2.66Å; R469-E472 PolarHBondContact NE-OE1 3.34Å; R469-E472 IonicContact NE-OE2 3.58Å; R469-E472 VanDerWaalsContact NH2-CD 3.33Å; R469-E472 IonicContact NH2-OE1 3.35Å; R469-E472 PolarHBondContact NH2-OE1 3.19Å; R469-E472 IonicContact NH2-OE2 3.68Å; R469-E472 PolarHBondContact NH2-OE2 2.89Å; R469-K485 PolarHBondContact O-NZ 2.86Å |
| 470 | P | 96.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 168.9 | 175 | 29.6 | -35.5 | 0 | 0 | 0 | 111.3 | F468 E472 | F468-P470 WeakPolarHBondContact O-CD 3.36Å; P470-E472 PolarHBondContact O-N 3.13Å |
| 471 | I | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -73 | 123.8 | 162.8 | -64.3 | 177.5 | 0 | 0 | 0 | 107.1 | I452 L477 E481 V482 K485 R555 | I452-I471 HydrophobicContact CG1-CD1 4.17Å; I452-I471 PolarHBondContact O-N 3.4Å; I471-L477 HydrophobicContact CD1-CD2 3.94Å; I471-L477 HydrophobicContact CG2-CD2 4.01Å; I471-E481 HydrophobicContact CG1-CG 4.48Å; I471-V482 HydrophobicContact CD1-CG2 3.46Å; I471-V482 VanDerWaalsContact CD1-CG2 3.46Å; I471-K485 HydrophobicContact CD1-CD 4.26Å; I471-K485 HydrophobicContact CG1-CD 3.6Å; I471-R555 PolarHBondContact O-NH1 2.93Å; I471-R555 PolarHBondContact O-NH2 3.44Å |
| 472 | E | 93.7 | Very high | 96.6 | Very high | 113 Ų | 113 | 64.5 Ų | 64.5 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | trans | -98.6 | -21.9 | -175.3 | -71.8 | 170.2 | -168.2 | 0 | 0 | 113.1 | R469 P470 | R469-E472 IonicContact CZ-OE1 3.92Å; R469-E472 IonicContact CZ-OE2 2.77Å; R469-E472 IonicContact NE-OE1 2.66Å; R469-E472 PolarHBondContact NE-OE1 3.34Å; R469-E472 IonicContact NE-OE2 3.58Å; R469-E472 VanDerWaalsContact NH2-CD 3.33Å; R469-E472 IonicContact NH2-OE1 3.35Å; R469-E472 PolarHBondContact NH2-OE1 3.19Å; R469-E472 IonicContact NH2-OE2 3.68Å; R469-E472 PolarHBondContact NH2-OE2 2.89Å; P470-E472 PolarHBondContact O-N 3.13Å | ||
| 473 | S | 91.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 63.7 Ų | 63.7 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | trans | -66.6 | 145.4 | -179.1 | -167 | 0 | 0 | 0 | 0 | 111.7 | D475 R555 | S473-D475 WeakPolarHBondContact OG-CB 3.36Å; S473-D475 PolarHBondContact OG-N 3.39Å; S473-D475 VanDerWaalsContact OG-N 3.13Å; S473-R555 PolarHBondContact O-NH2 3.06Å | ||
| 474 | D | 89.5 | Confident | 96.6 | Very high | 113 Ų | 113 | 62.3 Ų | 62.3 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -98.9 | -2.1 | 168 | -66.1 | -33.1 | 0 | 0 | 0 | 111.9 | R555 | D474-R555 IonicContact OD1-NE 3.48Å; D474-R555 PolarHBondContact OD1-NE 2.72Å |
| 475 | D | 95.6 | Very high | 96.7 | Very high | 118 Ų | 118 | 62.7 Ų | 62.7 | 63% | 0.631 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -70.5 | 177.4 | 169.2 | -70.8 | -42.5 | 0 | 0 | 0 | 110.9 | S473 L477 P553 | S473-D475 WeakPolarHBondContact OG-CB 3.36Å; S473-D475 PolarHBondContact OG-N 3.39Å; S473-D475 VanDerWaalsContact OG-N 3.13Å; D475-L477 PolarHBondContact O-N 3.47Å; D475-P553 VanDerWaalsContact O-CD 3.28Å; D475-P553 WeakPolarHBondContact O-CD 3.08Å |
| 476 | A | 97.3 | Very high | 96.7 | Very high | 35 Ų | 35 | 62.3 Ų | 62.3 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -56.2 | 137.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D478 K550 V551 F552 | A476-D478 PolarHBondContact O-N 3.36Å; A476-K550 HydrophobicContact CB-CB 4.04Å; A476-K550 HydrophobicContact CB-CG 4.46Å; A476-V551 CarbonylContact C-O 3.59Å; A476-V551 VanDerWaalsContact CA-O 3.27Å; A476-V551 WeakPolarHBondContact CA-O 3.46Å; A476-F552 HydrophobicContact CB-CD1 4.23Å; A476-F552 HydrophobicContact CB-CE1 3.94Å; A476-F552 HydrophobicContact CB-CE2 4.49Å; A476-F552 HydrophobicContact CB-CZ 4.08Å |
| 477 | L | 98.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 128.4 | 176.6 | -65.6 | -179.1 | 0 | 0 | 0 | 109.8 | I452 I471 D475 V482 I546 V551 P553 F564 | I452-L477 HydrophobicContact CD1-CD1 4.1Å; I471-L477 HydrophobicContact CD1-CD2 3.94Å; I471-L477 HydrophobicContact CG2-CD2 4.01Å; D475-L477 PolarHBondContact O-N 3.47Å; L477-V482 HydrophobicContact CB-CG2 4.06Å; L477-V482 HydrophobicContact CD1-CG2 4.41Å; L477-I546 HydrophobicContact CB-CG1 4.32Å; L477-I546 HydrophobicContact CB-CG2 3.99Å; L477-I546 HydrophobicContact CD1-CD1 3.9Å; L477-I546 HydrophobicContact CD1-CG1 4.07Å; L477-V551 HydrophobicContact CD1-CB 4.45Å; L477-V551 HydrophobicContact CD1-CG1 4.16Å; L477-V551 PolarHBondContact N-O 2.89Å; L477-P553 HydrophobicContact CD2-CB 4.33Å; L477-P553 HydrophobicContact CD2-CG 4.06Å; L477-F564 HydrophobicContact CD1-CD1 4.27Å; L477-F564 HydrophobicContact CD1-CE1 3.9Å |
| 478 | D | 98.3 | Very high | 96.8 | Very high | 87 Ų | 87 | 61 Ų | 61 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 128.9 | 174.1 | 180 | -97.4 | 0 | 0 | 0 | 110 | A476 D480 E481 V482 | A476-D478 PolarHBondContact O-N 3.36Å; D478-D480 PolarHBondContact O-N 3.05Å; D478-D480 PolarHBondContact OD1-N 2.89Å; D478-D480 VanDerWaalsContact OD1-N 3.11Å; D478-E481 HydrophobicContact CB-CB 4.04Å; D478-E481 PolarHBondContact O-N 2.79Å; D478-E481 PolarHBondContact OD1-N 2.92Å; D478-V482 VanDerWaalsContact O-CG2 3.29Å; D478-V482 WeakPolarHBondContact O-CG2 3.31Å; D478-V482 PolarHBondContact O-N 2.97Å |
| 479 | F | 98.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 59 Ų | 59 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | -176.2 | 176.6 | -100.6 | 0 | 0 | 0 | 112.2 | V482 M483 L543 I546 K547 L583 | F479-V482 PolarHBondContact O-N 3.32Å; F479-M483 HydrophobicContact CD1-CG 4.12Å; F479-M483 HydrophobicContact CD2-CG 4.11Å; F479-M483 HydrophobicContact CE1-CG 3.72Å; F479-M483 HydrophobicContact CE2-CG 3.71Å; F479-M483 HydrophobicContact CE2-SD 3.93Å; F479-M483 HydrophobicContact CG-CG 4.31Å; F479-M483 HydrophobicContact CZ-CE 4.15Å; F479-M483 HydrophobicContact CZ-CG 3.49Å; F479-M483 VanDerWaalsContact CZ-CG 3.49Å; F479-M483 HydrophobicContact CZ-SD 3.76Å; F479-M483 VanDerWaalsContact O-CB 3.32Å; F479-M483 WeakPolarHBondContact O-CB 3.5Å; F479-M483 WeakPolarHBondContact O-CG 3.39Å; F479-M483 PolarHBondContact O-N 2.83Å; F479-L543 HydrophobicContact CE2-CB 4.28Å; F479-I546 HydrophobicContact CB-CG2 4.12Å; F479-I546 HydrophobicContact CD2-CG2 4.4Å; F479-K547 HydrophobicContact CB-CB 4.48Å; F479-K547 HydrophobicContact CD1-CD 4.22Å; F479-K547 HydrophobicContact CD1-CG 4.29Å; F479-K547 HydrophobicContact CD2-CB 3.55Å; F479-K547 HydrophobicContact CD2-CD 4.11Å; F479-K547 HydrophobicContact CD2-CG 3.98Å; F479-K547 HydrophobicContact CE1-CD 3.96Å; F479-K547 HydrophobicContact CE2-CB 3.92Å; F479-K547 HydrophobicContact CE2-CD 3.84Å; F479-K547 HydrophobicContact CE2-CG 4.23Å; F479-K547 HydrophobicContact CG-CB 4Å; F479-K547 HydrophobicContact CG-CD 4.29Å; F479-K547 HydrophobicContact CG-CG 4.01Å; F479-K547 HydrophobicContact CZ-CD 3.77Å; F479-L583 HydrophobicContact CE2-CD2 4.24Å; F479-L583 HydrophobicContact CZ-CD2 3.96Å |
| 480 | D | 98.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 51.2 Ų | 51.2 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -70.5 | -38 | -176.5 | -66.9 | -29 | 0 | 0 | 0 | 110.9 | D478 A484 | D478-D480 PolarHBondContact O-N 3.05Å; D478-D480 PolarHBondContact OD1-N 2.89Å; D478-D480 VanDerWaalsContact OD1-N 3.11Å; D480-A484 WeakPolarHBondContact O-CB 3.11Å; D480-A484 PolarHBondContact O-N 3.11Å |
| 481 | E | 98.5 | Very high | 97.2 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 173.1 | -174.4 | 178.1 | -168.1 | 0 | 0 | 112 | I471 D478 M483 A484 K485 | I471-E481 HydrophobicContact CG1-CG 4.48Å; D478-E481 HydrophobicContact CB-CB 4.04Å; D478-E481 PolarHBondContact O-N 2.79Å; D478-E481 PolarHBondContact OD1-N 2.92Å; E481-M483 VanDerWaalsContact C-N 3.34Å; E481-M483 PolarHBondContact O-N 3.4Å; E481-A484 PolarHBondContact O-N 3.31Å; E481-K485 HydrophobicContact CG-CD 4.27Å; E481-K485 WeakPolarHBondContact O-CG 3.09Å; E481-K485 PolarHBondContact O-N 3.47Å; E481-K485 VanDerWaalsContact O-N 3.09Å; E481-K485 WeakPolarHBondContact OE1-CE 3.35Å; E481-K485 IonicContact OE1-NZ 3.45Å |
| 482 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | L448 I471 L477 D478 F479 K485 Y486 L543 I546 | L448-V482 HydrophobicContact CD1-CG1 3.8Å; I471-V482 HydrophobicContact CD1-CG2 3.46Å; I471-V482 VanDerWaalsContact CD1-CG2 3.46Å; L477-V482 HydrophobicContact CB-CG2 4.06Å; L477-V482 HydrophobicContact CD1-CG2 4.41Å; D478-V482 VanDerWaalsContact O-CG2 3.29Å; D478-V482 WeakPolarHBondContact O-CG2 3.31Å; D478-V482 PolarHBondContact O-N 2.97Å; F479-V482 PolarHBondContact O-N 3.32Å; V482-K485 PolarHBondContact O-N 3.02Å; V482-Y486 WeakPolarHBondContact O-CB 3.3Å; V482-Y486 PolarHBondContact O-N 2.81Å; V482-L543 HydrophobicContact CG1-CD2 4.23Å; V482-I546 HydrophobicContact CG1-CD1 4.01Å; V482-I546 HydrophobicContact CG2-CD1 4.26Å; V482-I546 HydrophobicContact CG2-CG2 4.42Å |
| 483 | M | 98.2 | Very high | 97.5 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.3 | -74.7 | -71.3 | -69.1 | 0 | 0 | 112 | F479 E481 Y486 D487 L543 W586 | F479-M483 HydrophobicContact CD1-CG 4.12Å; F479-M483 HydrophobicContact CD2-CG 4.11Å; F479-M483 HydrophobicContact CE1-CG 3.72Å; F479-M483 HydrophobicContact CE2-CG 3.71Å; F479-M483 HydrophobicContact CE2-SD 3.93Å; F479-M483 HydrophobicContact CG-CG 4.31Å; F479-M483 HydrophobicContact CZ-CE 4.15Å; F479-M483 HydrophobicContact CZ-CG 3.49Å; F479-M483 VanDerWaalsContact CZ-CG 3.49Å; F479-M483 HydrophobicContact CZ-SD 3.76Å; F479-M483 VanDerWaalsContact O-CB 3.32Å; F479-M483 WeakPolarHBondContact O-CB 3.5Å; F479-M483 WeakPolarHBondContact O-CG 3.39Å; F479-M483 PolarHBondContact O-N 2.83Å; E481-M483 VanDerWaalsContact C-N 3.34Å; E481-M483 PolarHBondContact O-N 3.4Å; M483-Y486 PolarHBondContact O-N 3.12Å; M483-D487 WeakPolarHBondContact O-CB 3.35Å; M483-D487 PolarHBondContact O-N 3.07Å; M483-L543 HydrophobicContact SD-CD1 3.89Å; M483-L543 HydrophobicContact SD-CD2 3.68Å; M483-L543 HydrophobicContact SD-CG 4.35Å; M483-W586 HydrophobicContact CE-CD2 3.63Å; M483-W586 HydrophobicContact CE-CE3 3.72Å; M483-W586 HydrophobicContact CE-CG 4.48Å; M483-W586 HydrophobicContact CE-CH2 3.42Å; M483-W586 VanDerWaalsContact CE-CH2 3.42Å; M483-W586 HydrophobicContact CE-CZ2 3.3Å; M483-W586 HydrophobicContact CE-CZ3 3.63Å; M483-W586 HydrophobicContact SD-CE3 4.42Å; M483-W586 HydrophobicContact SD-CH2 4.03Å; M483-W586 HydrophobicContact SD-CZ2 4.47Å; M483-W586 HydrophobicContact SD-CZ3 4Å |
| 484 | A | 98.2 | Very high | 97.8 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | D480 E481 D487 E488 | D480-A484 WeakPolarHBondContact O-CB 3.11Å; D480-A484 PolarHBondContact O-N 3.11Å; E481-A484 PolarHBondContact O-N 3.31Å; A484-D487 PolarHBondContact O-N 3.18Å; A484-E488 PolarHBondContact O-N 3.38Å |
| 485 | K | 98.4 | Very high | 98.3 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 12% | 0.122 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.7 | -37.6 | 176.8 | -68.6 | 177 | -176.1 | -67.3 | 0 | 112.2 | A451 R469 I471 E481 V482 D487 E488 V489 | A451-K485 HydrophobicContact CB-CB 4.03Å; A451-K485 WeakPolarHBondContact O-CD 3.31Å; R469-K485 PolarHBondContact O-NZ 2.86Å; I471-K485 HydrophobicContact CD1-CD 4.26Å; I471-K485 HydrophobicContact CG1-CD 3.6Å; E481-K485 HydrophobicContact CG-CD 4.27Å; E481-K485 WeakPolarHBondContact O-CG 3.09Å; E481-K485 PolarHBondContact O-N 3.47Å; E481-K485 VanDerWaalsContact O-N 3.09Å; E481-K485 WeakPolarHBondContact OE1-CE 3.35Å; E481-K485 IonicContact OE1-NZ 3.45Å; V482-K485 PolarHBondContact O-N 3.02Å; K485-D487 VanDerWaalsContact C-N 3.34Å; K485-E488 PolarHBondContact O-N 3.1Å; K485-V489 WeakPolarHBondContact O-CG2 3.21Å; K485-V489 PolarHBondContact O-N 3.08Å; K485-V489 VanDerWaalsContact O-N 3.08Å |
| 486 | Y | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 178.9 | -173.4 | -133.3 | 0 | 0 | 0 | 111.3 | L444 A447 L448 A451 V482 M483 E488 V489 L490 V539 W586 | L444-Y486 PolarHBondContact O-OH 3.45Å; A447-Y486 HydrophobicContact CB-CE2 3.95Å; L448-Y486 HydrophobicContact CB-CD2 4.06Å; L448-Y486 HydrophobicContact CB-CE2 3.81Å; L448-Y486 HydrophobicContact CD1-CD1 4.19Å; L448-Y486 HydrophobicContact CD1-CD2 3.87Å; L448-Y486 HydrophobicContact CD1-CE2 4.32Å; L448-Y486 HydrophobicContact CD1-CG 3.8Å; L448-Y486 VanDerWaalsContact N-CE2 3.35Å; A451-Y486 HydrophobicContact CB-CD2 4.25Å; V482-Y486 WeakPolarHBondContact O-CB 3.3Å; V482-Y486 PolarHBondContact O-N 2.81Å; M483-Y486 PolarHBondContact O-N 3.12Å; Y486-E488 VanDerWaalsContact C-N 3.34Å; Y486-E488 PolarHBondContact O-N 2.78Å; Y486-V489 PolarHBondContact O-N 3.24Å; Y486-L490 HydrophobicContact CD1-CD1 4.04Å; Y486-L490 HydrophobicContact CD1-CG 4.4Å; Y486-L490 HydrophobicContact CD2-CD2 4.47Å; Y486-L490 HydrophobicContact CD2-CG 4.14Å; Y486-L490 HydrophobicContact CE1-CD1 3.73Å; Y486-L490 HydrophobicContact CE1-CD2 4.39Å; Y486-L490 HydrophobicContact CE1-CG 4.15Å; Y486-L490 HydrophobicContact CE2-CD1 4.37Å; Y486-L490 HydrophobicContact CE2-CD2 3.74Å; Y486-L490 HydrophobicContact CE2-CG 3.87Å; Y486-L490 HydrophobicContact CG-CD1 4.49Å; Y486-L490 HydrophobicContact CG-CG 4.39Å; Y486-L490 WeakPolarHBondContact O-CB 3.3Å; Y486-L490 VanDerWaalsContact O-CG 3.31Å; Y486-L490 WeakPolarHBondContact O-CG 3.33Å; Y486-L490 PolarHBondContact O-N 2.54Å; Y486-V539 HydrophobicContact CE1-CG1 3.66Å; Y486-V539 WeakPolarHBondContact OH-CG1 3.44Å; Y486-W586 HydrophobicContact CD1-CH2 4.2Å; Y486-W586 HydrophobicContact CD1-CZ3 4.06Å; Y486-W586 HydrophobicContact CE1-CZ3 4.2Å |
| 487 | D | 98.2 | Very high | 98.5 | Very high | 60 Ų | 60 | 34 Ų | 34 | 32% | 0.321 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 173.6 | -170.1 | 75.9 | 0 | 0 | 0 | 112.8 | M483 A484 K485 L490 E491 K594 | M483-D487 WeakPolarHBondContact O-CB 3.35Å; M483-D487 PolarHBondContact O-N 3.07Å; A484-D487 PolarHBondContact O-N 3.18Å; K485-D487 VanDerWaalsContact C-N 3.34Å; D487-L490 PolarHBondContact O-N 3.4Å; D487-E491 PolarHBondContact O-N 3.46Å; D487-K594 WeakPolarHBondContact O-CE 3.39Å; D487-K594 PolarHBondContact O-NZ 3.45Å; D487-K594 WeakPolarHBondContact OD1-CE 3.41Å; D487-K594 IonicContact OD1-NZ 3.7Å; D487-K594 PolarHBondContact OD1-NZ 2.82Å; D487-K594 IonicContact OD2-NZ 2.67Å; D487-K594 PolarHBondContact OD2-NZ 3.46Å |
| 488 | E | 98 | Very high | 98.5 | Very high | 104 Ų | 104 | 33.6 Ų | 33.6 | 49% | 0.486 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.1 | -69.1 | -179.8 | 177.7 | 0 | 0 | 112.2 | F468 A484 K485 Y486 E491 W492 | F468-E488 HydrophobicContact CE1-CB 4.17Å; F468-E488 HydrophobicContact CZ-CB 4.45Å; A484-E488 PolarHBondContact O-N 3.38Å; K485-E488 PolarHBondContact O-N 3.1Å; Y486-E488 VanDerWaalsContact C-N 3.34Å; Y486-E488 PolarHBondContact O-N 2.78Å; E488-E491 WeakPolarHBondContact O-CB 3.2Å; E488-E491 PolarHBondContact O-N 2.77Å; E488-W492 PolarHBondContact O-N 2.89Å |
| 489 | V | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | A447 A451 F468 K485 Y486 E491 W492 L493 | A447-V489 HydrophobicContact CB-CG1 3.95Å; A447-V489 WeakPolarHBondContact O-CG1 3.48Å; A451-V489 HydrophobicContact CB-CB 4.39Å; A451-V489 HydrophobicContact CB-CG2 3.88Å; F468-V489 HydrophobicContact CD2-CG2 3.81Å; F468-V489 HydrophobicContact CE2-CB 4.48Å; F468-V489 HydrophobicContact CE2-CG2 3.73Å; K485-V489 WeakPolarHBondContact O-CG2 3.21Å; K485-V489 PolarHBondContact O-N 3.08Å; K485-V489 VanDerWaalsContact O-N 3.08Å; Y486-V489 PolarHBondContact O-N 3.24Å; V489-E491 VanDerWaalsContact C-N 3.3Å; V489-E491 PolarHBondContact O-N 3.06Å; V489-W492 HydrophobicContact CG1-CE3 4.14Å; V489-W492 HydrophobicContact CG1-CZ3 4.46Å; V489-W492 PolarHBondContact O-N 2.82Å; V489-L493 WeakPolarHBondContact O-CB 3.35Å; V489-L493 PolarHBondContact O-N 3.06Å |
| 490 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -36.9 | 175.6 | -73.7 | -176.8 | 0 | 0 | 0 | 111.7 | L444 A447 Y486 D487 L493 A494 T590 F591 K594 | L444-L490 HydrophobicContact CD2-CD2 4.28Å; L444-L490 HydrophobicContact CG-CD2 4.04Å; A447-L490 HydrophobicContact CB-CD2 4.48Å; Y486-L490 HydrophobicContact CD1-CD1 4.04Å; Y486-L490 HydrophobicContact CD1-CG 4.4Å; Y486-L490 HydrophobicContact CD2-CD2 4.47Å; Y486-L490 HydrophobicContact CD2-CG 4.14Å; Y486-L490 HydrophobicContact CE1-CD1 3.73Å; Y486-L490 HydrophobicContact CE1-CD2 4.39Å; Y486-L490 HydrophobicContact CE1-CG 4.15Å; Y486-L490 HydrophobicContact CE2-CD1 4.37Å; Y486-L490 HydrophobicContact CE2-CD2 3.74Å; Y486-L490 HydrophobicContact CE2-CG 3.87Å; Y486-L490 HydrophobicContact CG-CD1 4.49Å; Y486-L490 HydrophobicContact CG-CG 4.39Å; Y486-L490 WeakPolarHBondContact O-CB 3.3Å; Y486-L490 VanDerWaalsContact O-CG 3.31Å; Y486-L490 WeakPolarHBondContact O-CG 3.33Å; Y486-L490 PolarHBondContact O-N 2.54Å; D487-L490 PolarHBondContact O-N 3.4Å; L490-L493 PolarHBondContact O-N 3.3Å; L490-A494 WeakPolarHBondContact O-CB 3.45Å; L490-A494 PolarHBondContact O-N 2.91Å; L490-T590 HydrophobicContact CD1-CG2 4.25Å; L490-F591 HydrophobicContact CB-CD2 4.45Å; L490-F591 HydrophobicContact CD2-CD2 3.88Å; L490-F591 HydrophobicContact CD2-CE2 4.25Å; L490-K594 HydrophobicContact CB-CD 3.54Å |
| 491 | E | 98.5 | Very high | 98.5 | Very high | 48 Ų | 48 | 26.6 Ų | 26.6 | 22% | 0.224 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 175.7 | -177.2 | 61.6 | -141.4 | 0 | 0 | 110.3 | D487 E488 V489 L493 A494 G495 K594 H597 Y598 | D487-E491 PolarHBondContact O-N 3.46Å; E488-E491 WeakPolarHBondContact O-CB 3.2Å; E488-E491 PolarHBondContact O-N 2.77Å; V489-E491 VanDerWaalsContact C-N 3.3Å; V489-E491 PolarHBondContact O-N 3.06Å; E491-L493 PolarHBondContact O-N 2.89Å; E491-A494 PolarHBondContact O-N 3.31Å; E491-G495 PolarHBondContact O-N 2.85Å; E491-G495 VanDerWaalsContact O-N 3.13Å; E491-K594 HydrophobicContact CB-CD 4.47Å; E491-K594 WeakPolarHBondContact OE2-CG 3.38Å; E491-K594 IonicContact OE2-NZ 3.43Å; E491-H597 IonicContact OE1-ND1 3.41Å; E491-H597 PolarHBondContact OE1-ND1 3.47Å; E491-H597 IonicContact OE2-CE1 3.4Å; E491-H597 PolarHBondContact OE2-CE1 2.97Å; E491-H597 IonicContact OE2-ND1 2.69Å; E491-H597 PolarHBondContact OE2-ND1 3.23Å; E491-Y598 PolarHBondContact O-OH 3.24Å; E491-Y598 VanDerWaalsContact O-OH 3.06Å; E491-Y598 VanDerWaalsContact OE1-CE2 3.26Å; E491-Y598 WeakPolarHBondContact OE1-CE2 3Å; E491-Y598 VanDerWaalsContact OE1-CZ 3.28Å; E491-Y598 PolarHBondContact OE1-OH 2.92Å |
| 492 | W | 98.6 | Very high | 98.6 | Very high | 39 Ų | 39 | 24.2 Ų | 24.2 | 15% | 0.148 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.6 | 164.8 | 76.2 | 0 | 0 | 0 | 112.4 | I175 Y450 P466 F468 E488 V489 A494 G495 M496 | I175-W492 HydrophobicContact CD1-CH2 4.08Å; I175-W492 HydrophobicContact CD1-CZ3 3.67Å; I175-W492 HydrophobicContact CG2-CH2 4.19Å; Y450-W492 HydrophobicContact CD2-CH2 4.38Å; Y450-W492 HydrophobicContact CD2-CZ3 4.13Å; Y450-W492 HydrophobicContact CE2-CH2 4.29Å; Y450-W492 HydrophobicContact CE2-CZ3 4.46Å; P466-W492 VanDerWaalsContact CD-CD1 3.49Å; P466-W492 HydrophobicContact CG-CB 4.24Å; P466-W492 VanDerWaalsContact CG-CD1 3.45Å; P466-W492 HydrophobicContact CG-CD2 4.28Å; P466-W492 HydrophobicContact CG-CG 3.71Å; F468-W492 HydrophobicContact CE2-CB 4.44Å; F468-W492 HydrophobicContact CZ-CB 4.17Å; E488-W492 PolarHBondContact O-N 2.89Å; V489-W492 HydrophobicContact CG1-CE3 4.14Å; V489-W492 HydrophobicContact CG1-CZ3 4.46Å; V489-W492 PolarHBondContact O-N 2.82Å; W492-A494 PolarHBondContact O-N 2.92Å; W492-G495 PolarHBondContact O-N 2.84Å; W492-M496 HydrophobicContact CZ2-CE 4.15Å; W492-M496 HydrophobicContact CZ2-CG 4.36Å; W492-M496 WeakPolarHBondContact O-CB 3.44Å; W492-M496 PolarHBondContact O-N 3.13Å |
| 493 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | -179.8 | 179.2 | 60.1 | 0 | 0 | 0 | 111.3 | I175 I176 A442 L444 A447 V489 L490 E491 G495 M496 Y497 F591 | I175-L493 HydrophobicContact CD1-CD1 4.47Å; I175-L493 HydrophobicContact CG1-CD1 3.98Å; I176-L493 HydrophobicContact CG2-CD1 3.81Å; A442-L493 HydrophobicContact CB-CD1 4.25Å; A442-L493 HydrophobicContact CB-CD2 4.12Å; A442-L493 HydrophobicContact CB-CG 4.33Å; L444-L493 HydrophobicContact CD1-CD2 4.12Å; A447-L493 HydrophobicContact CB-CD2 3.88Å; V489-L493 WeakPolarHBondContact O-CB 3.35Å; V489-L493 PolarHBondContact O-N 3.06Å; L490-L493 PolarHBondContact O-N 3.3Å; E491-L493 PolarHBondContact O-N 2.89Å; L493-G495 PolarHBondContact O-N 3.14Å; L493-M496 PolarHBondContact O-N 3.12Å; L493-Y497 WeakPolarHBondContact O-CB 3.18Å; L493-Y497 PolarHBondContact O-N 3.26Å; L493-F591 HydrophobicContact CD2-CE2 4.1Å; L493-F591 HydrophobicContact CD2-CZ 4.33Å; L493-F591 HydrophobicContact CG-CE2 4.2Å; L493-F591 HydrophobicContact CG-CZ 4.38Å |
| 494 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.2 | -49.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L490 E491 W492 M496 Y497 V498 F591 K594 L595 Y598 | L490-A494 WeakPolarHBondContact O-CB 3.45Å; L490-A494 PolarHBondContact O-N 2.91Å; E491-A494 PolarHBondContact O-N 3.31Å; W492-A494 PolarHBondContact O-N 2.92Å; A494-M496 PolarHBondContact O-N 3.18Å; A494-Y497 PolarHBondContact O-N 2.77Å; A494-V498 WeakPolarHBondContact O-CG2 3.28Å; A494-V498 PolarHBondContact O-N 3.4Å; A494-F591 HydrophobicContact CB-CE2 4.36Å; A494-K594 HydrophobicContact CB-CB 3.88Å; A494-L595 HydrophobicContact CB-CD2 3.97Å; A494-L595 HydrophobicContact CB-CG 4.33Å; A494-Y598 HydrophobicContact CB-CD2 4.19Å; A494-Y598 HydrophobicContact CB-CE2 3.87Å |
| 495 | G | 98.5 | Very high | 98.6 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 5% | 0.052 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E491 W492 L493 Y497 N499 | E491-G495 PolarHBondContact O-N 2.85Å; E491-G495 VanDerWaalsContact O-N 3.13Å; W492-G495 PolarHBondContact O-N 2.84Å; L493-G495 PolarHBondContact O-N 3.14Å; G495-Y497 VanDerWaalsContact C-N 3.32Å; G495-Y497 PolarHBondContact O-N 2.8Å; G495-N499 VanDerWaalsContact O-CB 3.29Å; G495-N499 WeakPolarHBondContact O-CB 3.38Å; G495-N499 VanDerWaalsContact O-CG 3.29Å; G495-N499 PolarHBondContact O-N 2.96Å; G495-N499 PolarHBondContact O-ND2 2.9Å |
| 496 | M | 98.6 | Very high | 98.6 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.3 | -177 | 56.5 | 64.8 | 0 | 0 | 111.1 | E166 I167 A170 I176 W492 L493 A494 T500 | E166-M496 HydrophobicContact CB-CE 3.84Å; I167-M496 HydrophobicContact CB-SD 4.48Å; I167-M496 HydrophobicContact CG1-SD 3.76Å; A170-M496 HydrophobicContact CB-CG 4.09Å; A170-M496 HydrophobicContact CB-SD 4.33Å; I176-M496 HydrophobicContact CD1-CG 3.66Å; I176-M496 HydrophobicContact CD1-SD 4.38Å; I176-M496 HydrophobicContact CG1-CG 4.33Å; W492-M496 HydrophobicContact CZ2-CE 4.15Å; W492-M496 HydrophobicContact CZ2-CG 4.36Å; W492-M496 WeakPolarHBondContact O-CB 3.44Å; W492-M496 PolarHBondContact O-N 3.13Å; L493-M496 PolarHBondContact O-N 3.12Å; A494-M496 PolarHBondContact O-N 3.18Å; M496-T500 WeakPolarHBondContact O-CB 3.47Å; M496-T500 PolarHBondContact O-N 3.02Å; M496-T500 VanDerWaalsContact O-N 3.13Å; M496-T500 PolarHBondContact O-OG1 3.08Å |
| 497 | Y | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.6 | -51.7 | -178.7 | -166.9 | -171.7 | 0 | 0 | 0 | 111.5 | I176 L179 G439 A440 R441 A442 L493 A494 G495 N499 T500 L501 T531 G532 F591 | I176-Y497 HydrophobicContact CG2-CD2 4.14Å; I176-Y497 HydrophobicContact CG2-CG 4.12Å; L179-Y497 HydrophobicContact CD1-CE2 4.18Å; L179-Y497 HydrophobicContact CD2-CD2 4.19Å; L179-Y497 HydrophobicContact CD2-CE2 4.07Å; L179-Y497 HydrophobicContact CG-CE2 4.17Å; G439-Y497 WeakPolarHBondContact O-CE2 3.23Å; G439-Y497 PolarHBondContact O-OH 3.43Å; A440-Y497 PolarHBondContact O-OH 2.73Å; R441-Y497 WeakPolarHBondContact CA-OH 3.41Å; R441-Y497 PolarHBondContact N-OH 3.04Å; R441-Y497 VanDerWaalsContact N-OH 3.08Å; A442-Y497 HydrophobicContact CB-CD1 3.71Å; A442-Y497 HydrophobicContact CB-CE1 3.74Å; A442-Y497 HydrophobicContact CB-CG 4.4Å; L493-Y497 WeakPolarHBondContact O-CB 3.18Å; L493-Y497 PolarHBondContact O-N 3.26Å; A494-Y497 PolarHBondContact O-N 2.77Å; G495-Y497 VanDerWaalsContact C-N 3.32Å; G495-Y497 PolarHBondContact O-N 2.8Å; Y497-N499 PolarHBondContact O-N 3.33Å; Y497-T500 PolarHBondContact O-N 3.28Å; Y497-L501 HydrophobicContact CD2-CD1 3.8Å; Y497-L501 HydrophobicContact CD2-CG 3.87Å; Y497-L501 HydrophobicContact CE2-CD1 3.51Å; Y497-L501 HydrophobicContact CE2-CD2 4.12Å; Y497-L501 HydrophobicContact CE2-CG 3.8Å; Y497-L501 WeakPolarHBondContact O-CG 3.34Å; Y497-L501 PolarHBondContact O-N 3.25Å; Y497-T531 HydrophobicContact CD1-CG2 4.09Å; Y497-T531 HydrophobicContact CE1-CG2 3.92Å; Y497-G532 PolarHBondContact OH-N 3.07Å; Y497-F591 HydrophobicContact CD1-CZ 4.38Å |
| 498 | V | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | -179.3 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | A494 T500 L501 N502 F529 L595 Y598 H599 T600 | A494-V498 WeakPolarHBondContact O-CG2 3.28Å; A494-V498 PolarHBondContact O-N 3.4Å; V498-T500 VanDerWaalsContact C-N 3.32Å; V498-T500 PolarHBondContact O-N 2.63Å; V498-L501 PolarHBondContact O-N 2.94Å; V498-N502 WeakPolarHBondContact O-CB 3.18Å; V498-N502 VanDerWaalsContact O-CG 3.26Å; V498-N502 PolarHBondContact O-N 3.09Å; V498-N502 PolarHBondContact O-ND2 3.05Å; V498-F529 HydrophobicContact CB-CE1 4.34Å; V498-F529 HydrophobicContact CG1-CE1 4.06Å; V498-F529 HydrophobicContact CG1-CZ 4.29Å; V498-F529 HydrophobicContact CG2-CE1 4.27Å; V498-L595 HydrophobicContact CG2-CD2 3.8Å; V498-Y598 HydrophobicContact CB-CG 4.48Å; V498-H599 WeakPolarHBondContact CG1-O 3.37Å; V498-T600 HydrophobicContact CG1-CG2 4.15Å |
| 499 | N | 98.4 | Very high | 98.7 | Very high | 87 Ų | 87 | 17.7 Ų | 17.7 | 47% | 0.465 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -65.4 | -35.9 | 178.7 | -72.7 | -45.8 | 0 | 0 | 0 | 112.7 | G495 Y497 N502 A503 | G495-N499 VanDerWaalsContact O-CB 3.29Å; G495-N499 WeakPolarHBondContact O-CB 3.38Å; G495-N499 VanDerWaalsContact O-CG 3.29Å; G495-N499 PolarHBondContact O-N 2.96Å; G495-N499 PolarHBondContact O-ND2 2.9Å; Y497-N499 PolarHBondContact O-N 3.33Å; N499-N502 PolarHBondContact O-N 2.79Å; N499-A503 PolarHBondContact O-N 3.42Å |
| 500 | T | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 111 | Y163 I167 I176 L179 M496 Y497 V498 A503 I504 | Y163-T500 HydrophobicContact CE1-CG2 3.86Å; Y163-T500 VanDerWaalsContact OH-CG2 3.3Å; Y163-T500 WeakPolarHBondContact OH-CG2 3.28Å; I167-T500 WeakPolarHBondContact CG1-OG1 3.36Å; I167-T500 HydrophobicContact CG2-CG2 3.71Å; I176-T500 HydrophobicContact CD1-CG2 4.35Å; I176-T500 WeakPolarHBondContact CD1-OG1 3.32Å; L179-T500 HydrophobicContact CD2-CG2 3.49Å; L179-T500 VanDerWaalsContact CD2-CG2 3.49Å; M496-T500 WeakPolarHBondContact O-CB 3.47Å; M496-T500 PolarHBondContact O-N 3.02Å; M496-T500 VanDerWaalsContact O-N 3.13Å; M496-T500 PolarHBondContact O-OG1 3.08Å; Y497-T500 PolarHBondContact O-N 3.28Å; V498-T500 VanDerWaalsContact C-N 3.32Å; V498-T500 PolarHBondContact O-N 2.63Å; T500-A503 PolarHBondContact O-N 2.87Å; T500-I504 HydrophobicContact CG2-CD1 4.41Å; T500-I504 WeakPolarHBondContact O-CG1 3.01Å; T500-I504 PolarHBondContact O-N 3.15Å; T500-I504 VanDerWaalsContact O-N 3.13Å |
| 501 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.5 | -35.2 | 178.4 | -69.2 | -176.7 | 0 | 0 | 0 | 112.8 | L179 G439 Y497 V498 A503 I504 H505 F529 T531 | L179-L501 HydrophobicContact CD2-CD2 3.65Å; L179-L501 HydrophobicContact CD2-CG 4.27Å; L179-L501 HydrophobicContact CG-CD2 3.92Å; G439-L501 VanDerWaalsContact CA-CD1 3.5Å; Y497-L501 HydrophobicContact CD2-CD1 3.8Å; Y497-L501 HydrophobicContact CD2-CG 3.87Å; Y497-L501 HydrophobicContact CE2-CD1 3.51Å; Y497-L501 HydrophobicContact CE2-CD2 4.12Å; Y497-L501 HydrophobicContact CE2-CG 3.8Å; Y497-L501 WeakPolarHBondContact O-CG 3.34Å; Y497-L501 PolarHBondContact O-N 3.25Å; V498-L501 PolarHBondContact O-N 2.94Å; L501-A503 VanDerWaalsContact C-N 3.28Å; L501-A503 PolarHBondContact O-N 3.18Å; L501-I504 HydrophobicContact CD2-CD1 4.09Å; L501-I504 PolarHBondContact O-N 3.34Å; L501-I504 VanDerWaalsContact O-N 3.1Å; L501-H505 PolarHBondContact O-CD2 3.22Å; L501-H505 PolarHBondContact O-N 3.32Å; L501-F529 HydrophobicContact CB-CE1 3.5Å; L501-F529 VanDerWaalsContact CB-CE1 3.5Å; L501-F529 HydrophobicContact CB-CE2 4.15Å; L501-F529 HydrophobicContact CB-CZ 3.21Å; L501-F529 HydrophobicContact CD1-CD1 4.24Å; L501-F529 HydrophobicContact CD1-CE1 3.62Å; L501-F529 HydrophobicContact CD1-CZ 4.2Å; L501-F529 HydrophobicContact CG-CE1 4.2Å; L501-F529 HydrophobicContact CG-CZ 4.35Å; L501-T531 HydrophobicContact CD1-CG2 4.02Å |
| 502 | N | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 13% | 0.128 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 173 | -76.9 | -20.5 | 0 | 0 | 0 | 111.3 | V498 N499 Y506 F529 H599 T600 Y601 | V498-N502 WeakPolarHBondContact O-CB 3.18Å; V498-N502 VanDerWaalsContact O-CG 3.26Å; V498-N502 PolarHBondContact O-N 3.09Å; V498-N502 PolarHBondContact O-ND2 3.05Å; N499-N502 PolarHBondContact O-N 2.79Å; N502-Y506 VanDerWaalsContact O-CB 3.27Å; N502-Y506 WeakPolarHBondContact O-CB 3.47Å; N502-Y506 PolarHBondContact O-N 3.24Å; N502-Y506 VanDerWaalsContact O-N 3.13Å; N502-F529 WeakPolarHBondContact OD1-CE2 3.06Å; N502-F529 VanDerWaalsContact OD1-CZ 3.32Å; N502-F529 WeakPolarHBondContact OD1-CZ 3.31Å; N502-H599 PolarHBondContact ND2-O 3.06Å; N502-T600 WeakPolarHBondContact OD1-CA 3.4Å; N502-Y601 WeakPolarHBondContact OD1-CB 3.5Å; N502-Y601 PolarHBondContact OD1-N 3.49Å |
| 503 | A | 98.7 | Very high | 98.6 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V162 Y163 N499 T500 L501 M507 | V162-A503 HydrophobicContact CG2-CB 3.92Å; Y163-A503 HydrophobicContact CD1-CB 4.43Å; Y163-A503 HydrophobicContact CE1-CB 4.24Å; N499-A503 PolarHBondContact O-N 3.42Å; T500-A503 PolarHBondContact O-N 2.87Å; L501-A503 VanDerWaalsContact C-N 3.28Å; L501-A503 PolarHBondContact O-N 3.18Å; A503-M507 VanDerWaalsContact O-CG 3.23Å; A503-M507 WeakPolarHBondContact O-CG 3.32Å; A503-M507 PolarHBondContact O-N 3.12Å |
| 504 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -53.7 | 179.3 | -67.2 | 176.9 | 0 | 0 | 0 | 111.4 | H155 V159 Y163 L179 P180 D181 T500 L501 Y506 M507 H508 | H155-I504 PolarHBondContact CE1-O 3.22Å; V159-I504 HydrophobicContact CG1-CG1 3.96Å; V159-I504 HydrophobicContact CG2-CG1 4.34Å; Y163-I504 HydrophobicContact CE1-CG1 4.35Å; Y163-I504 VanDerWaalsContact OH-CD1 3.24Å; Y163-I504 WeakPolarHBondContact OH-CD1 3.3Å; Y163-I504 WeakPolarHBondContact OH-CG1 3.4Å; L179-I504 HydrophobicContact CB-CD1 3.61Å; L179-I504 HydrophobicContact CD2-CD1 3.98Å; L179-I504 HydrophobicContact CG-CD1 4.33Å; P180-I504 HydrophobicContact CB-CG2 4.45Å; P180-I504 HydrophobicContact CG-CG2 3.99Å; P180-I504 VanDerWaalsContact O-CG2 3.3Å; P180-I504 WeakPolarHBondContact O-CG2 3.43Å; D181-I504 HydrophobicContact CB-CD1 4.16Å; D181-I504 HydrophobicContact CB-CG1 4.41Å; T500-I504 HydrophobicContact CG2-CD1 4.41Å; T500-I504 WeakPolarHBondContact O-CG1 3.01Å; T500-I504 PolarHBondContact O-N 3.15Å; T500-I504 VanDerWaalsContact O-N 3.13Å; L501-I504 HydrophobicContact CD2-CD1 4.09Å; L501-I504 PolarHBondContact O-N 3.34Å; L501-I504 VanDerWaalsContact O-N 3.1Å; I504-Y506 PolarHBondContact O-N 3.42Å; I504-M507 PolarHBondContact O-N 3.37Å; I504-H508 WeakPolarHBondContact O-CB 3.31Å; I504-H508 PolarHBondContact O-N 2.92Å |
| 505 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.8 | -33.3 | -172.8 | -62.2 | -54.4 | 0 | 0 | 0 | 112.8 | F437 F438 L501 M507 H508 D509 F529 Y601 | F437-H505 VanDerWaalsContact C-CE1 3.5Å; F437-H505 HydrophobicContact CD1-CB 4.08Å; F437-H505 AromaticContact CD1-CG 3.88Å; F437-H505 AromaticContact CD1-ND1 3.78Å; F437-H505 HydrophobicContact CD2-CB 4.19Å; F437-H505 HydrophobicContact CE1-CB 4.28Å; F437-H505 HydrophobicContact CE2-CB 4.34Å; F437-H505 HydrophobicContact CG-CB 4.04Å; F437-H505 AromaticContact CG-CD2 3.98Å; F437-H505 AromaticContact CG-CG 3.67Å; F437-H505 AromaticContact CG-ND1 3.87Å; F437-H505 HydrophobicContact CZ-CB 4.37Å; F438-H505 PolarHBondContact N-CE1 3.36Å; F438-H505 PolarHBondContact O-CE1 2.99Å; F438-H505 PolarHBondContact O-NE2 3.04Å; L501-H505 PolarHBondContact O-CD2 3.22Å; L501-H505 PolarHBondContact O-N 3.32Å; H505-M507 VanDerWaalsContact C-N 3.34Å; H505-H508 PolarHBondContact O-N 3.13Å; H505-D509 PolarHBondContact O-N 3.1Å; H505-F529 AromaticContact CD2-CE2 3.74Å; H505-Y601 HydrophobicContact CB-CD1 3.63Å; H505-Y601 HydrophobicContact CB-CE1 4.14Å |
| 506 | Y | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 23.6 Ų | 23.6 | 34% | 0.341 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -58.7 | -47 | 170.1 | -178.9 | -81.1 | 0 | 0 | 0 | 111.3 | N502 I504 K510 Y601 | N502-Y506 VanDerWaalsContact O-CB 3.27Å; N502-Y506 WeakPolarHBondContact O-CB 3.47Å; N502-Y506 PolarHBondContact O-N 3.24Å; N502-Y506 VanDerWaalsContact O-N 3.13Å; I504-Y506 PolarHBondContact O-N 3.42Å; Y506-K510 HydrophobicContact CE1-CD 4.05Å; Y506-K510 WeakPolarHBondContact O-CB 3.27Å; Y506-K510 PolarHBondContact O-N 2.8Å; Y506-Y601 HydrophobicContact CD2-CD2 4.09Å; Y506-Y601 AromaticContact CD2-CE2 3.53Å; Y506-Y601 HydrophobicContact CD2-CE2 3.53Å; Y506-Y601 HydrophobicContact CE2-CE2 4.46Å; Y506-Y601 HydrophobicContact CG-CE2 4.19Å |
| 507 | M | 98.7 | Very high | 98.6 | Very high | 19 Ų | 19 | 22.5 Ų | 22.5 | 9% | 0.094 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.4 | -32.9 | -179.1 | -64 | -55.9 | 175.5 | 0 | 0 | 112.4 | A158 V159 V162 A503 I504 H505 K510 Y511 | A158-M507 HydrophobicContact CB-CB 4.08Å; A158-M507 HydrophobicContact CB-CG 3.96Å; A158-M507 HydrophobicContact CB-SD 3.69Å; V159-M507 HydrophobicContact CG2-CB 3.65Å; V159-M507 HydrophobicContact CG2-CG 4.04Å; V162-M507 HydrophobicContact CB-CE 4.12Å; V162-M507 HydrophobicContact CG1-CE 3.36Å; V162-M507 HydrophobicContact CG2-CE 3.64Å; A503-M507 VanDerWaalsContact O-CG 3.23Å; A503-M507 WeakPolarHBondContact O-CG 3.32Å; A503-M507 PolarHBondContact O-N 3.12Å; I504-M507 PolarHBondContact O-N 3.37Å; H505-M507 VanDerWaalsContact C-N 3.34Å; M507-K510 PolarHBondContact O-N 2.92Å; M507-Y511 HydrophobicContact CB-CD2 4.35Å; M507-Y511 VanDerWaalsContact O-CD2 3.3Å; M507-Y511 WeakPolarHBondContact O-CD2 3.48Å; M507-Y511 PolarHBondContact O-N 3.3Å; M507-Y511 HydrophobicContact SD-CD2 4.3Å; M507-Y511 HydrophobicContact SD-CE2 3.73Å |
| 508 | H | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.3 | -45.9 | 177.4 | -156 | -62.2 | 0 | 0 | 0 | 111.4 | H155 G184 R185 I504 H505 K510 Y511 Y512 Y513 E514 | H155-H508 AromaticContact CD2-CD2 3.79Å; H155-H508 AromaticContact CE1-CD2 3.8Å; H155-H508 WeakPolarHBondContact ND1-CA 3.4Å; H155-H508 PolarHBondContact ND1-N 3.3Å; H155-H508 AromaticContact NE2-CD2 3.62Å; G184-H508 WeakPolarHBondContact CA-NE2 3.5Å; R185-H508 PolarHBondContact N-NE2 2.9Å; I504-H508 WeakPolarHBondContact O-CB 3.31Å; I504-H508 PolarHBondContact O-N 2.92Å; H505-H508 PolarHBondContact O-N 3.13Å; H508-K510 PolarHBondContact O-N 2.85Å; H508-Y511 PolarHBondContact O-N 3.05Å; H508-Y512 AromaticContact CE1-CD1 3.67Å; H508-Y512 AromaticContact CE1-CG 3.99Å; H508-Y512 PolarHBondContact CE1-O 2.73Å; H508-Y512 PolarHBondContact ND1-O 3.43Å; H508-Y512 AromaticContact NE2-CD1 3.7Å; H508-Y512 CarbonylContact O-C 3.48Å; H508-Y512 WeakPolarHBondContact O-CA 3.46Å; H508-Y512 PolarHBondContact O-N 3.14Å; H508-Y513 PolarHBondContact O-N 2.68Å; H508-E514 IonicContact CE1-OE1 3.7Å; H508-E514 PolarHBondContact CE1-OE1 3.38Å; H508-E514 IonicContact ND1-OE1 3.69Å; H508-E514 PolarHBondContact ND1-OE1 3.04Å; H508-E514 IonicContact NE2-OE1 3.45Å |
| 509 | D | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 8% | 0.075 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.1 | -35.8 | 173.4 | -83.5 | 5.7 | 0 | 0 | 0 | 111.5 | R185 H505 Y601 R602 | R185-D509 IonicContact CZ-OD1 3.09Å; R185-D509 VanDerWaalsContact CZ-OD1 3.23Å; R185-D509 IonicContact NH1-OD1 3.95Å; R185-D509 PolarHBondContact NH1-OD1 2.65Å; R185-D509 IonicContact NH2-OD1 3.62Å; R185-D509 PolarHBondContact NH2-OD1 3.47Å; H505-D509 PolarHBondContact O-N 3.1Å; D509-Y601 VanDerWaalsContact OD2-CE1 3.25Å; D509-Y601 WeakPolarHBondContact OD2-CE1 3.42Å; D509-Y601 PolarHBondContact OD2-OH 3.06Å; D509-R602 WeakPolarHBondContact OD2-CD 3.34Å; D509-R602 IonicContact OD2-CZ 3.14Å; D509-R602 IonicContact OD2-NE 2.7Å; D509-R602 IonicContact OD2-NH1 3.04Å; D509-R602 PolarHBondContact OD2-NH1 3.46Å |
| 510 | K | 98.1 | Very high | 98.6 | Very high | 120 Ų | 120 | 18.4 Ų | 18.4 | 52% | 0.522 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -79 | -36.4 | -175.5 | -174.1 | 168.2 | -178.7 | 168.2 | 0 | 114.4 | Y506 M507 H508 | Y506-K510 HydrophobicContact CE1-CD 4.05Å; Y506-K510 WeakPolarHBondContact O-CB 3.27Å; Y506-K510 PolarHBondContact O-N 2.8Å; M507-K510 PolarHBondContact O-N 2.92Å; H508-K510 PolarHBondContact O-N 2.85Å |
| 511 | Y | 98.2 | Very high | 98.6 | Very high | 51 Ų | 51 | 18.3 Ų | 18.3 | 20% | 0.2 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -118.4 | -12.8 | -170 | -62.4 | -72.4 | 0 | 0 | 0 | 114.4 | K153 A158 M507 H508 | K153-Y511 HydrophobicContact CB-CD1 4.16Å; K153-Y511 HydrophobicContact CB-CE1 3.8Å; K153-Y511 HydrophobicContact CD-CE1 4.21Å; K153-Y511 HydrophobicContact CG-CE1 4.32Å; K153-Y511 VanDerWaalsContact O-CD1 3.29Å; K153-Y511 WeakPolarHBondContact O-CD1 3.32Å; A158-Y511 HydrophobicContact CB-CD2 3.36Å; A158-Y511 HydrophobicContact CB-CE2 3.18Å; A158-Y511 HydrophobicContact CB-CG 4.32Å; M507-Y511 HydrophobicContact CB-CD2 4.35Å; M507-Y511 VanDerWaalsContact O-CD2 3.3Å; M507-Y511 WeakPolarHBondContact O-CD2 3.48Å; M507-Y511 PolarHBondContact O-N 3.3Å; M507-Y511 HydrophobicContact SD-CD2 4.3Å; M507-Y511 HydrophobicContact SD-CE2 3.73Å; H508-Y511 PolarHBondContact O-N 3.05Å |
| 512 | Y | 97.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 4% | 0.035 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -150.7 | 50.3 | -177.1 | -161.6 | -156.8 | 0 | 0 | 0 | 112.4 | Y123 E275 Q276 N277 H508 | Y123-Y512 HydrophobicContact CG-CD2 4.32Å; Y123-Y512 HydrophobicContact CG-CE2 4.42Å; E275-Y512 PolarHBondContact O-OH 3.24Å; Q276-Y512 VanDerWaalsContact OE1-CZ 3.23Å; N277-Y512 PolarHBondContact N-OH 3.11Å; N277-Y512 VanDerWaalsContact OD1-CE1 3.29Å; N277-Y512 WeakPolarHBondContact OD1-CE1 3.33Å; N277-Y512 PolarHBondContact OD1-OH 3.23Å; H508-Y512 AromaticContact CE1-CD1 3.67Å; H508-Y512 AromaticContact CE1-CG 3.99Å; H508-Y512 PolarHBondContact CE1-O 2.73Å; H508-Y512 PolarHBondContact ND1-O 3.43Å; H508-Y512 AromaticContact NE2-CD1 3.7Å; H508-Y512 CarbonylContact O-C 3.48Å; H508-Y512 WeakPolarHBondContact O-CA 3.46Å; H508-Y512 PolarHBondContact O-N 3.14Å |
| 513 | Y | 98.5 | Very high | 98.4 | Very high | 31 Ų | 31 | 20.2 Ų | 20.2 | 12% | 0.122 | 9% | 0.094 | C | C | . | . | trans | -65.2 | 132.9 | 178.9 | -175.7 | -103.8 | 0 | 0 | 0 | 112.7 | E229 Q233 Q276 H508 A515 L518 | E229-Y513 HydrophobicContact CB-CE1 4.03Å; E229-Y513 HydrophobicContact CB-CE2 4.23Å; E229-Y513 WeakPolarHBondContact CB-OH 3.24Å; E229-Y513 HydrophobicContact CG-CD2 4.17Å; E229-Y513 HydrophobicContact CG-CE1 4.09Å; E229-Y513 HydrophobicContact CG-CE2 3.59Å; Q233-Y513 HydrophobicContact CG-CE1 4.28Å; Q233-Y513 PolarHBondContact NE2-OH 2.9Å; Q276-Y513 PolarHBondContact NE2-O 3.28Å; H508-Y513 PolarHBondContact O-N 2.68Å; Y513-A515 HydrophobicContact CD1-CB 4.03Å; Y513-A515 HydrophobicContact CE1-CB 4.31Å; Y513-A515 PolarHBondContact O-N 3.48Å; Y513-L518 HydrophobicContact CD1-CD1 4.42Å; Y513-L518 HydrophobicContact CD2-CD1 3.9Å; Y513-L518 HydrophobicContact CE1-CB 4.41Å; Y513-L518 HydrophobicContact CE1-CD1 3.85Å; Y513-L518 HydrophobicContact CE2-CD1 3.26Å; Y513-L518 HydrophobicContact CG-CD1 4.43Å; Y513-L518 WeakPolarHBondContact OH-CD1 3.21Å | ||
| 514 | E | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | trans | -82.2 | 58.8 | -173.4 | -56.1 | 90.2 | 158.8 | 0 | 0 | 113 | R185 I188 Q276 H508 A516 E517 L518 | R185-E514 VanDerWaalsContact CG-OE1 3.24Å; R185-E514 WeakPolarHBondContact CG-OE1 3.41Å; R185-E514 IonicContact CZ-OE1 3.06Å; R185-E514 IonicContact CZ-OE2 2.74Å; R185-E514 IonicContact NE-OE1 2.96Å; R185-E514 PolarHBondContact NE-OE1 2.98Å; R185-E514 IonicContact NE-OE2 3.96Å; R185-E514 IonicContact NH2-OE1 3.91Å; R185-E514 PolarHBondContact NH2-OE1 2.78Å; R185-E514 IonicContact NH2-OE2 2.78Å; R185-E514 PolarHBondContact NH2-OE2 3.45Å; I188-E514 HydrophobicContact CD1-CB 3.84Å; I188-E514 HydrophobicContact CD1-CG 3.68Å; Q276-E514 HydrophobicContact CG-CB 4.02Å; Q276-E514 HydrophobicContact CG-CG 3.81Å; H508-E514 IonicContact CE1-OE1 3.7Å; H508-E514 PolarHBondContact CE1-OE1 3.38Å; H508-E514 IonicContact ND1-OE1 3.69Å; H508-E514 PolarHBondContact ND1-OE1 3.04Å; H508-E514 IonicContact NE2-OE1 3.45Å; E514-A516 VanDerWaalsContact C-N 3.31Å; E514-A516 PolarHBondContact O-N 3.19Å; E514-E517 HydrophobicContact CB-CB 4.45Å; E514-E517 PolarHBondContact O-N 2.91Å; E514-E517 VanDerWaalsContact O-N 3.16Å; E514-L518 HydrophobicContact CB-CD1 4.14Å; E514-L518 HydrophobicContact CB-CG 4.36Å; E514-L518 WeakPolarHBondContact O-CB 3.31Å; E514-L518 WeakPolarHBondContact O-CG 3.21Å; E514-L518 PolarHBondContact O-N 2.83Å | ||
| 515 | A | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 5% | 0.05 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.8 | -39.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D232 A236 Y513 A519 | D232-A515 HydrophobicContact CB-CB 4.27Å; A236-A515 HydrophobicContact CB-CB 3.87Å; Y513-A515 HydrophobicContact CD1-CB 4.03Å; Y513-A515 HydrophobicContact CE1-CB 4.31Å; Y513-A515 PolarHBondContact O-N 3.48Å; A515-A519 WeakPolarHBondContact O-CB 3.13Å; A515-A519 PolarHBondContact O-N 3.5Å |
| 516 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | A236 A271 E514 | A236-A516 HydrophobicContact CB-CB 4.4Å; A271-A516 HydrophobicContact CB-CB 4.32Å; E514-A516 VanDerWaalsContact C-N 3.31Å; E514-A516 PolarHBondContact O-N 3.19Å |
| 517 | E | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.5 | -49.5 | 178 | -66.6 | 171.3 | 95.8 | 0 | 0 | 110.5 | I188 A272 E514 A519 L520 M521 | I188-E517 HydrophobicContact CG2-CB 3.71Å; I188-E517 HydrophobicContact CG2-CG 4.5Å; A272-E517 HydrophobicContact CB-CG 3.39Å; E514-E517 HydrophobicContact CB-CB 4.45Å; E514-E517 PolarHBondContact O-N 2.91Å; E514-E517 VanDerWaalsContact O-N 3.16Å; E517-A519 PolarHBondContact O-N 3.29Å; E517-L520 WeakPolarHBondContact O-CB 3.41Å; E517-L520 PolarHBondContact O-N 3.42Å; E517-M521 WeakPolarHBondContact O-CG 3.5Å |
| 518 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.4 | -22.8 | -176.4 | -63.4 | 168.9 | 0 | 0 | 0 | 112.6 | I188 Q233 M435 Y513 E514 L520 M521 L525 | I188-L518 HydrophobicContact CD1-CD2 4.43Å; I188-L518 HydrophobicContact CG2-CD2 4.15Å; Q233-L518 HydrophobicContact CG-CB 4.4Å; M435-L518 HydrophobicContact SD-CD2 3.82Å; Y513-L518 HydrophobicContact CD1-CD1 4.42Å; Y513-L518 HydrophobicContact CD2-CD1 3.9Å; Y513-L518 HydrophobicContact CE1-CB 4.41Å; Y513-L518 HydrophobicContact CE1-CD1 3.85Å; Y513-L518 HydrophobicContact CE2-CD1 3.26Å; Y513-L518 HydrophobicContact CG-CD1 4.43Å; Y513-L518 WeakPolarHBondContact OH-CD1 3.21Å; E514-L518 HydrophobicContact CB-CD1 4.14Å; E514-L518 HydrophobicContact CB-CG 4.36Å; E514-L518 WeakPolarHBondContact O-CB 3.31Å; E514-L518 WeakPolarHBondContact O-CG 3.21Å; E514-L518 PolarHBondContact O-N 2.83Å; L518-L520 PolarHBondContact O-N 2.84Å; L518-M521 HydrophobicContact CD2-SD 3.8Å; L518-M521 PolarHBondContact O-N 2.84Å; L518-L525 HydrophobicContact CD2-CD1 3.57Å |
| 519 | A | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -24.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K207 Q233 L237 A515 E517 M521 | K207-A519 WeakPolarHBondContact CE-O 3.33Å; Q233-A519 HydrophobicContact CB-CB 3.65Å; Q233-A519 HydrophobicContact CG-CB 4.04Å; L237-A519 HydrophobicContact CD1-CB 4.37Å; L237-A519 HydrophobicContact CD2-CB 3.97Å; L237-A519 HydrophobicContact CG-CB 3.82Å; A515-A519 WeakPolarHBondContact O-CB 3.13Å; A515-A519 PolarHBondContact O-N 3.5Å; E517-A519 PolarHBondContact O-N 3.29Å; A519-M521 VanDerWaalsContact C-N 3.3Å |
| 520 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 22 | 178.8 | -57.6 | 174.3 | 0 | 0 | 0 | 111.4 | D191 Y192 R194 V195 L203 L237 E517 L518 | D191-L520 WeakPolarHBondContact CB-O 3.37Å; D191-L520 PolarHBondContact N-O 3.14Å; Y192-L520 HydrophobicContact CD1-CD1 3.68Å; Y192-L520 HydrophobicContact CE1-CD1 4.3Å; R194-L520 WeakPolarHBondContact CD-O 3.22Å; R194-L520 PolarHBondContact NE-O 3.28Å; V195-L520 HydrophobicContact CG2-CD1 4.04Å; V195-L520 HydrophobicContact CG2-CD2 3.71Å; L203-L520 HydrophobicContact CD1-CD2 3.84Å; L237-L520 HydrophobicContact CD2-CD2 3.84Å; E517-L520 WeakPolarHBondContact O-CB 3.41Å; E517-L520 PolarHBondContact O-N 3.42Å; L518-L520 PolarHBondContact O-N 2.84Å |
| 521 | M | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -128.9 | 165.5 | 175.8 | -47.8 | -178.9 | 74.6 | 0 | 0 | 110.4 | I188 R194 K207 G432 E434 M435 E517 L518 A519 L525 | I188-M521 HydrophobicContact CG2-SD 3.8Å; R194-M521 VanDerWaalsContact NH1-C 3.28Å; K207-M521 PolarHBondContact NZ-O 2.93Å; G432-M521 CarbonylContact O-C 3.5Å; G432-M521 WeakPolarHBondContact O-CA 3.26Å; G432-M521 WeakPolarHBondContact O-CB 3.38Å; E434-M521 WeakPolarHBondContact O-CE 3.36Å; M435-M521 HydrophobicContact CB-CE 4.47Å; E517-M521 WeakPolarHBondContact O-CG 3.5Å; L518-M521 HydrophobicContact CD2-SD 3.8Å; L518-M521 PolarHBondContact O-N 2.84Å; A519-M521 VanDerWaalsContact C-N 3.3Å; M521-L525 HydrophobicContact CB-CD1 4.41Å; M521-L525 HydrophobicContact CB-CD2 3.73Å; M521-L525 HydrophobicContact CE-CD2 4.06Å; M521-L525 HydrophobicContact SD-CD1 4.29Å |
| 522 | D | 97.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 18.6 Ų | 18.6 | 25% | 0.246 | 9% | 0.092 | C | C | . | . | trans | -61.2 | 146.9 | 174 | -68.6 | 2.4 | 0 | 0 | 0 | 109.9 | R194 G432 K433 N524 L525 | R194-D522 IonicContact CZ-OD1 3.73Å; R194-D522 IonicContact NH1-OD1 3.36Å; R194-D522 PolarHBondContact NH1-OD1 2.87Å; R194-D522 VanDerWaalsContact NH1-OD1 3.14Å; R194-D522 IonicContact NH2-OD1 2.84Å; R194-D522 PolarHBondContact NH2-OD1 3.01Å; G432-D522 PolarHBondContact O-N 2.86Å; K433-D522 IonicContact NZ-OD2 3.83Å; K433-D522 PolarHBondContact NZ-OD2 3.22Å; D522-N524 PolarHBondContact O-N 2.82Å; D522-L525 WeakPolarHBondContact O-CD2 3.46Å; D522-L525 VanDerWaalsContact O-CG 3.23Å; D522-L525 WeakPolarHBondContact O-CG 3.36Å | ||
| 523 | T | 95.8 | Very high | 97.7 | Very high | 17 Ų | 17 | 18.1 Ų | 18.1 | 10% | 0.104 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -68.6 | -36.3 | -174 | -72.4 | 0 | 0 | 0 | 0 | 112.8 | K207 D210 L226 I230 | K207-T523 PolarHBondContact NZ-OG1 3.08Å; K207-T523 VanDerWaalsContact NZ-OG1 3.14Å; D210-T523 HydrophobicContact CB-CG2 4.2Å; D210-T523 VanDerWaalsContact CG-OG1 3.3Å; D210-T523 WeakPolarHBondContact OD2-CB 3.45Å; D210-T523 PolarHBondContact OD2-OG1 3.42Å; L226-T523 HydrophobicContact CD1-CG2 4.04Å; L226-T523 HydrophobicContact CD2-CG2 4.25Å; L226-T523 HydrophobicContact CG-CG2 4.32Å; I230-T523 HydrophobicContact CD1-CG2 3.52Å; I230-T523 HydrophobicContact CG1-CG2 3.78Å |
| 524 | N | 93.2 | Very high | 97.7 | Very high | 135 Ų | 135 | 16.7 Ų | 16.7 | 72% | 0.722 | 9% | 0.085 | S | C | * | . | S | Bend | trans | -97 | 95.7 | 174.4 | -65.7 | -51 | 0 | 0 | 0 | 109.7 | D522 | D522-N524 PolarHBondContact O-N 2.82Š|
| 525 | L | 93.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 16.6 Ų | 16.6 | 9% | 0.094 | 9% | 0.085 | C | C | . | . | trans | -91.9 | 136.4 | -178 | -62.4 | 173.2 | 0 | 0 | 0 | 112.4 | K433 M435 L518 M521 D522 R527 | K433-L525 WeakPolarHBondContact O-CD2 3.45Å; M435-L525 HydrophobicContact CG-CD1 4.48Å; M435-L525 HydrophobicContact SD-CD1 4.22Å; L518-L525 HydrophobicContact CD2-CD1 3.57Å; M521-L525 HydrophobicContact CB-CD1 4.41Å; M521-L525 HydrophobicContact CB-CD2 3.73Å; M521-L525 HydrophobicContact CE-CD2 4.06Å; M521-L525 HydrophobicContact SD-CD1 4.29Å; D522-L525 WeakPolarHBondContact O-CD2 3.46Å; D522-L525 VanDerWaalsContact O-CG 3.23Å; D522-L525 WeakPolarHBondContact O-CG 3.36Å; L525-R527 PolarHBondContact O-NH1 2.76Å | ||
| 526 | K | 96.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 16.4 Ų | 16.4 | 38% | 0.378 | 8% | 0.083 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.6 | 157.9 | -168.8 | -171.4 | 178.7 | -172 | 0 | 108.4 | K433 E434 M435 E605 | K433-K526 PolarHBondContact O-N 3.4Å; E434-K526 WeakPolarHBondContact CA-O 3.38Å; E434-K526 HydrophobicContact CB-CB 4.31Å; E434-K526 HydrophobicContact CG-CB 3.82Å; E434-K526 HydrophobicContact CG-CD 4.29Å; E434-K526 WeakPolarHBondContact OE1-CD 3.46Å; M435-K526 PolarHBondContact N-O 3.25Å; M435-K526 VanDerWaalsContact N-O 3.12Å; K526-E605 WeakPolarHBondContact CE-OE2 3.45Å; K526-E605 IonicContact NZ-OE2 2.76Å; K526-E605 PolarHBondContact NZ-OE2 3.36Å |
| 527 | R | 98.1 | Very high | 97.7 | Very high | 29 Ų | 29 | 16.4 Ų | 16.4 | 11% | 0.109 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.5 | 176.9 | -67.8 | 173 | 176.7 | 75.9 | -1.6 | 108.6 | M435 F437 L525 S604 E605 | M435-R527 HydrophobicContact CG-CG 3.81Å; M435-R527 WeakPolarHBondContact O-CA 3.32Å; M435-R527 HydrophobicContact SD-CG 4.26Å; F437-R527 HydrophobicContact CE2-CB 4.47Å; L525-R527 PolarHBondContact O-NH1 2.76Å; R527-S604 CarbonylContact O-C 3.14Å; R527-S604 WeakPolarHBondContact O-CA 3.08Å; R527-S604 VanDerWaalsContact O-CB 3.29Å; R527-S604 WeakPolarHBondContact O-CB 3.42Å; R527-E605 PolarHBondContact O-N 2.87Å |
| 528 | T | 98 | Very high | 97.7 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 153.8 | 164.5 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | M435 Q436 F437 E605 T607 | M435-T528 PolarHBondContact O-N 3.08Å; M435-T528 VanDerWaalsContact O-N 3.1Å; Q436-T528 WeakPolarHBondContact CB-OG1 3.48Å; Q436-T528 WeakPolarHBondContact CG-OG1 3Å; F437-T528 PolarHBondContact N-O 3.4Å; T528-E605 CarbonylContact C-O 3.52Å; T528-E605 WeakPolarHBondContact CA-O 3.46Å; T528-E605 WeakPolarHBondContact CB-O 3.31Å; T528-E605 HydrophobicContact CG2-CB 4.43Å; T528-T607 HydrophobicContact CG2-CG2 3.92Å |
| 529 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 85.5 | 179.3 | -158.7 | -93.6 | 0 | 0 | 0 | 107.8 | F437 V498 L501 N502 H505 T531 T600 S604 E605 T607 | F437-F529 HydrophobicContact CB-CD2 4.2Å; F437-F529 HydrophobicContact CD2-CD2 4.1Å; V498-F529 HydrophobicContact CB-CE1 4.34Å; V498-F529 HydrophobicContact CG1-CE1 4.06Å; V498-F529 HydrophobicContact CG1-CZ 4.29Å; V498-F529 HydrophobicContact CG2-CE1 4.27Å; L501-F529 HydrophobicContact CB-CE1 3.5Å; L501-F529 VanDerWaalsContact CB-CE1 3.5Å; L501-F529 HydrophobicContact CB-CE2 4.15Å; L501-F529 HydrophobicContact CB-CZ 3.21Å; L501-F529 HydrophobicContact CD1-CD1 4.24Å; L501-F529 HydrophobicContact CD1-CE1 3.62Å; L501-F529 HydrophobicContact CD1-CZ 4.2Å; L501-F529 HydrophobicContact CG-CE1 4.2Å; L501-F529 HydrophobicContact CG-CZ 4.35Å; N502-F529 WeakPolarHBondContact OD1-CE2 3.06Å; N502-F529 VanDerWaalsContact OD1-CZ 3.32Å; N502-F529 WeakPolarHBondContact OD1-CZ 3.31Å; H505-F529 AromaticContact CD2-CE2 3.74Å; F529-T531 HydrophobicContact CD1-CG2 4.21Å; F529-T531 PolarHBondContact O-N 2.77Å; F529-T531 VanDerWaalsContact O-N 3.12Å; F529-T600 HydrophobicContact CB-CG2 3.89Å; F529-T600 HydrophobicContact CD1-CG2 3.83Å; F529-T600 HydrophobicContact CD2-CG2 4.06Å; F529-T600 HydrophobicContact CE1-CG2 4.25Å; F529-T600 HydrophobicContact CE2-CG2 4.45Å; F529-T600 HydrophobicContact CG-CG2 3.68Å; F529-T600 HydrophobicContact CZ-CG2 4.5Å; F529-S604 WeakPolarHBondContact CB-OG 3.49Å; F529-S604 WeakPolarHBondContact CD2-OG 3.48Å; F529-E605 PolarHBondContact N-O 2.82Å; F529-T607 PolarHBondContact O-N 3.5Å; F529-T607 VanDerWaalsContact O-O 3.06Å |
| 530 | A | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 99.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q436 F437 G439 T607 D668 | Q436-A530 HydrophobicContact CB-CB 4.07Å; F437-A530 WeakPolarHBondContact O-CB 3.44Å; F437-A530 PolarHBondContact O-N 3.08Å; G439-A530 WeakPolarHBondContact CA-O 3.36Å; G439-A530 PolarHBondContact N-O 2.76Å; A530-T607 WeakPolarHBondContact CA-OG1 3.38Å; A530-D668 HydrophobicContact CB-CB 4.31Å; A530-D668 VanDerWaalsContact CB-CG 3.48Å; A530-D668 VanDerWaalsContact CB-OD1 3.23Å; A530-D668 WeakPolarHBondContact CB-OD1 3.2Å |
| 531 | T | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 174.5 | 167.7 | 64.5 | 0 | 0 | 0 | 0 | 110.7 | Y497 L501 F529 L595 T607 T608 S609 | Y497-T531 HydrophobicContact CD1-CG2 4.09Å; Y497-T531 HydrophobicContact CE1-CG2 3.92Å; L501-T531 HydrophobicContact CD1-CG2 4.02Å; F529-T531 HydrophobicContact CD1-CG2 4.21Å; F529-T531 PolarHBondContact O-N 2.77Å; F529-T531 VanDerWaalsContact O-N 3.12Å; T531-L595 HydrophobicContact CG2-CD1 4.32Å; T531-L595 HydrophobicContact CG2-CD2 3.92Å; T531-L595 WeakPolarHBondContact OG1-CD1 3.22Å; T531-T607 PolarHBondContact N-O 2.72Å; T531-T607 PolarHBondContact OG1-O 2.83Å; T531-T608 CarbonylContact O-C 3.57Å; T531-T608 WeakPolarHBondContact O-CA 3.42Å; T531-T608 WeakPolarHBondContact OG1-CB 3.49Å; T531-T608 PolarHBondContact OG1-OG1 3.34Å; T531-S609 PolarHBondContact O-N 3.27Å; T531-S609 PolarHBondContact O-OG 3.15Å |
| 532 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 157.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A440 R441 A442 Y497 S609 | A440-G532 WeakPolarHBondContact O-CA 3.47Å; R441-G532 CarbonylContact C-O 3.45Å; R441-G532 VanDerWaalsContact CA-O 3.24Å; R441-G532 WeakPolarHBondContact CA-O 3.46Å; R441-G532 WeakPolarHBondContact CB-O 3.48Å; A442-G532 PolarHBondContact N-O 2.84Å; Y497-G532 PolarHBondContact OH-N 3.07Å; G532-S609 CarbonylContact C-O 3.48Å; G532-S609 VanDerWaalsContact CA-O 3.31Å; G532-S609 WeakPolarHBondContact CA-O 3.18Å |
| 533 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.1 | -175.1 | -64.9 | 167.1 | 0 | 0 | 0 | 109.8 | L444 F536 L588 F591 T608 S609 I610 | L444-I533 HydrophobicContact CB-CG2 4.43Å; L444-I533 HydrophobicContact CD1-CB 4.38Å; L444-I533 HydrophobicContact CD1-CG1 4.18Å; L444-I533 HydrophobicContact CD1-CG2 4.02Å; L444-I533 HydrophobicContact CD2-CD1 4.39Å; L444-I533 HydrophobicContact CD2-CG1 4.16Å; L444-I533 HydrophobicContact CD2-CG2 3.71Å; L444-I533 HydrophobicContact CG-CG2 4.25Å; I533-F536 HydrophobicContact CG2-CB 4.04Å; I533-F536 HydrophobicContact CG2-CD2 4.08Å; I533-L588 HydrophobicContact CD1-CD1 4.16Å; I533-F591 HydrophobicContact CD1-CB 4.44Å; I533-F591 HydrophobicContact CD1-CD1 3.82Å; I533-F591 HydrophobicContact CG1-CD1 3.65Å; I533-F591 HydrophobicContact CG1-CE1 3.99Å; I533-T608 HydrophobicContact CD1-CG2 4.46Å; I533-S609 PolarHBondContact N-O 3.32Å; I533-I610 HydrophobicContact CD1-CG1 4.45Å |
| 534 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R441 A442 L444 T612 Y619 | R441-A534 HydrophobicContact CG-CB 3.77Å; A442-A534 WeakPolarHBondContact O-CB 3.33Å; A442-A534 PolarHBondContact O-N 3.19Å; L444-A534 PolarHBondContact N-O 2.87Å; A534-T612 HydrophobicContact CB-CG2 3.86Å; A534-Y619 HydrophobicContact CB-CD2 3.58Å; A534-Y619 HydrophobicContact CB-CE2 3.9Å |
| 535 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | 77 | 21.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H538 V539 | G535-H538 PolarHBondContact O-N 3.14Å; G535-V539 WeakPolarHBondContact O-CG2 3.45Å; G535-V539 PolarHBondContact O-N 3.49Å |
| 536 | F | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 0% | 0.004 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -54.5 | -59.2 | -172.7 | -178.2 | -103.9 | 0 | 0 | 0 | 112.7 | I533 H538 V539 V540 Y573 A584 V587 L588 I610 L661 | I533-F536 HydrophobicContact CG2-CB 4.04Å; I533-F536 HydrophobicContact CG2-CD2 4.08Å; F536-H538 VanDerWaalsContact C-N 3.32Å; F536-H538 PolarHBondContact O-N 3.29Å; F536-V539 WeakPolarHBondContact O-CB 3.41Å; F536-V539 PolarHBondContact O-N 2.64Å; F536-V539 VanDerWaalsContact O-N 3.13Å; F536-V540 HydrophobicContact CE1-CG2 4.29Å; F536-V540 HydrophobicContact CZ-CG2 4.39Å; F536-V540 WeakPolarHBondContact O-CG2 3.32Å; F536-V540 PolarHBondContact O-N 2.96Å; F536-Y573 HydrophobicContact CE1-CE1 4.46Å; F536-A584 HydrophobicContact CE1-CB 3.83Å; F536-A584 HydrophobicContact CZ-CB 3.75Å; F536-A584 VanDerWaalsContact CZ-O 3.23Å; F536-A584 WeakPolarHBondContact CZ-O 3.5Å; F536-V587 HydrophobicContact CD2-CG1 3.89Å; F536-V587 HydrophobicContact CE2-CB 3.98Å; F536-V587 HydrophobicContact CE2-CG1 3.81Å; F536-L588 HydrophobicContact CE2-CB 4.16Å; F536-I610 HydrophobicContact CB-CG2 3.68Å; F536-I610 HydrophobicContact CD1-CD1 4.23Å; F536-I610 HydrophobicContact CD1-CG2 4.11Å; F536-I610 HydrophobicContact CD2-CD1 4.01Å; F536-I610 HydrophobicContact CD2-CG1 4.48Å; F536-I610 HydrophobicContact CD2-CG2 4.25Å; F536-I610 HydrophobicContact CE1-CD1 4Å; F536-I610 HydrophobicContact CE2-CD1 3.76Å; F536-I610 HydrophobicContact CG-CD1 4.23Å; F536-I610 HydrophobicContact CG-CG2 3.76Å; F536-I610 HydrophobicContact CZ-CD1 3.75Å; F536-L661 HydrophobicContact CE1-CD1 4.06Å; F536-L661 HydrophobicContact CE1-CD2 3.96Å; F536-L661 HydrophobicContact CZ-CD1 4.4Å; F536-L661 HydrophobicContact CZ-CD2 3.67Å |
| 537 | S | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.7 | -35 | -179.1 | 50 | 0 | 0 | 0 | 0 | 113.2 | V539 V540 D541 A637 N641 S643 | S537-V539 VanDerWaalsContact C-N 3.33Å; S537-V539 PolarHBondContact O-N 2.87Å; S537-V540 WeakPolarHBondContact O-CB 3.4Å; S537-V540 PolarHBondContact O-N 3.16Å; S537-D541 WeakPolarHBondContact O-CB 3.37Å; S537-D541 VanDerWaalsContact O-CG 3.31Å; S537-D541 PolarHBondContact O-N 3.42Å; S537-A637 VanDerWaalsContact OG-CB 3.22Å; S537-A637 WeakPolarHBondContact OG-CB 3.49Å; S537-N641 WeakPolarHBondContact CB-O 3.5Å; S537-N641 PolarHBondContact OG-O 2.96Å; S537-S643 PolarHBondContact OG-N 2.92Å |
| 538 | H | 98.6 | Very high | 98.6 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.019 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.4 | -34.4 | 175 | -70 | -64.6 | 0 | 0 | 0 | 113 | G535 F536 S542 D628 R630 L636 A637 S643 | G535-H538 PolarHBondContact O-N 3.14Å; F536-H538 VanDerWaalsContact C-N 3.32Å; F536-H538 PolarHBondContact O-N 3.29Å; H538-S542 WeakPolarHBondContact O-CB 3.4Å; H538-S542 PolarHBondContact O-N 3.5Å; H538-S542 PolarHBondContact O-OG 2.86Å; H538-D628 IonicContact CE1-OD2 2.83Å; H538-D628 IonicContact CG-OD2 2.79Å; H538-D628 IonicContact ND1-OD2 3.63Å; H538-D628 PolarHBondContact ND1-OD2 2.83Å; H538-R630 VanDerWaalsContact CE1-CD 3.41Å; H538-R630 WeakPolarHBondContact CE1-CD 3.37Å; H538-L636 HydrophobicContact CB-CD2 4.36Å; H538-L636 WeakPolarHBondContact NE2-CA 3.35Å; H538-A637 PolarHBondContact CD2-N 2.96Å; H538-A637 PolarHBondContact NE2-N 2.84Å; H538-A637 VanDerWaalsContact NE2-N 3.19Å; H538-S643 VanDerWaalsContact CE1-CB 3.49Å; H538-S643 WeakPolarHBondContact CE1-CB 3.42Å |
| 539 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.3 | -47.3 | 171.3 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | L444 A445 Y486 G535 F536 S537 D541 S542 L543 V587 | L444-V539 HydrophobicContact CB-CG2 4.09Å; A445-V539 HydrophobicContact CB-CG2 4.35Å; Y486-V539 HydrophobicContact CE1-CG1 3.66Å; Y486-V539 WeakPolarHBondContact OH-CG1 3.44Å; G535-V539 WeakPolarHBondContact O-CG2 3.45Å; G535-V539 PolarHBondContact O-N 3.49Å; F536-V539 WeakPolarHBondContact O-CB 3.41Å; F536-V539 PolarHBondContact O-N 2.64Å; F536-V539 VanDerWaalsContact O-N 3.13Å; S537-V539 VanDerWaalsContact C-N 3.33Å; S537-V539 PolarHBondContact O-N 2.87Å; V539-D541 PolarHBondContact O-N 3.33Å; V539-S542 PolarHBondContact O-N 3.16Å; V539-L543 HydrophobicContact CG1-CD1 3.95Å; V539-L543 HydrophobicContact CG1-CG 4.35Å; V539-L543 WeakPolarHBondContact O-CB 3.43Å; V539-L543 VanDerWaalsContact O-CG 3.29Å; V539-L543 WeakPolarHBondContact O-CG 3.26Å; V539-L543 PolarHBondContact O-N 3.47Å; V539-V587 HydrophobicContact CG1-CG1 4.35Å; V539-V587 HydrophobicContact CG1-CG2 3.78Å |
| 540 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.2 | -51.8 | 179.3 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | F536 S537 S542 L543 A544 Y573 A580 L583 A584 V587 | F536-V540 HydrophobicContact CE1-CG2 4.29Å; F536-V540 HydrophobicContact CZ-CG2 4.39Å; F536-V540 WeakPolarHBondContact O-CG2 3.32Å; F536-V540 PolarHBondContact O-N 2.96Å; S537-V540 WeakPolarHBondContact O-CB 3.4Å; S537-V540 PolarHBondContact O-N 3.16Å; V540-S542 VanDerWaalsContact C-N 3.3Å; V540-S542 PolarHBondContact O-N 3.14Å; V540-L543 PolarHBondContact O-N 2.83Å; V540-A544 WeakPolarHBondContact O-CB 3.5Å; V540-A544 PolarHBondContact O-N 3.39Å; V540-Y573 HydrophobicContact CG1-CG 4.38Å; V540-A580 HydrophobicContact CG1-CB 4.36Å; V540-A580 WeakPolarHBondContact CG1-O 3.24Å; V540-L583 HydrophobicContact CG1-CB 4.1Å; V540-A584 HydrophobicContact CG1-CB 4.11Å; V540-A584 VanDerWaalsContact CG2-CA 3.43Å; V540-A584 HydrophobicContact CG2-CB 3.71Å; V540-V587 HydrophobicContact CG2-CG2 4.29Å |
| 541 | D | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67 | -33.3 | -179.3 | -69.4 | -13.7 | 0 | 0 | 0 | 111.6 | S537 V539 A544 A545 F570 K572 Y573 D628 S643 | S537-D541 WeakPolarHBondContact O-CB 3.37Å; S537-D541 VanDerWaalsContact O-CG 3.31Å; S537-D541 PolarHBondContact O-N 3.42Å; V539-D541 PolarHBondContact O-N 3.33Å; D541-A544 PolarHBondContact O-N 3Å; D541-A545 WeakPolarHBondContact O-CB 3.31Å; D541-A545 PolarHBondContact O-N 2.98Å; D541-F570 HydrophobicContact CB-CE2 4.33Å; D541-F570 WeakPolarHBondContact O-CE2 3.49Å; D541-K572 VanDerWaalsContact OD1-CA 3.32Å; D541-K572 WeakPolarHBondContact OD1-CA 3.37Å; D541-Y573 WeakPolarHBondContact OD1-CB 3.19Å; D541-Y573 PolarHBondContact OD1-N 3.47Å; D541-D628 HydrophobicContact CB-CB 3.69Å; D541-S643 WeakPolarHBondContact OD2-CB 3.18Å; D541-S643 PolarHBondContact OD2-OG 2.9Å |
| 542 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 175.6 | -70.5 | 0 | 0 | 0 | 0 | 111.3 | H538 V539 V540 A544 A545 I546 P627 D628 | H538-S542 WeakPolarHBondContact O-CB 3.4Å; H538-S542 PolarHBondContact O-N 3.5Å; H538-S542 PolarHBondContact O-OG 2.86Å; V539-S542 PolarHBondContact O-N 3.16Å; V540-S542 VanDerWaalsContact C-N 3.3Å; V540-S542 PolarHBondContact O-N 3.14Å; S542-A544 VanDerWaalsContact C-N 3.32Å; S542-A545 PolarHBondContact O-N 3.35Å; S542-I546 WeakPolarHBondContact O-CD1 3.47Å; S542-I546 VanDerWaalsContact O-CG1 3.23Å; S542-I546 WeakPolarHBondContact O-CG1 3.41Å; S542-I546 PolarHBondContact O-N 2.95Å; S542-P627 WeakPolarHBondContact OG-CD 3.44Å; S542-D628 PolarHBondContact OG-N 3.41Å |
| 543 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.9 | -68.6 | 177 | 0 | 0 | 0 | 111.1 | L448 F479 V482 M483 V539 V540 I546 K547 L583 W586 V587 | L448-L543 HydrophobicContact CD1-CD2 4.22Å; F479-L543 HydrophobicContact CE2-CB 4.28Å; V482-L543 HydrophobicContact CG1-CD2 4.23Å; M483-L543 HydrophobicContact SD-CD1 3.89Å; M483-L543 HydrophobicContact SD-CD2 3.68Å; M483-L543 HydrophobicContact SD-CG 4.35Å; V539-L543 HydrophobicContact CG1-CD1 3.95Å; V539-L543 HydrophobicContact CG1-CG 4.35Å; V539-L543 WeakPolarHBondContact O-CB 3.43Å; V539-L543 VanDerWaalsContact O-CG 3.29Å; V539-L543 WeakPolarHBondContact O-CG 3.26Å; V539-L543 PolarHBondContact O-N 3.47Å; V540-L543 PolarHBondContact O-N 2.83Å; L543-I546 PolarHBondContact O-N 3.43Å; L543-K547 VanDerWaalsContact O-CB 3.31Å; L543-K547 WeakPolarHBondContact O-CB 3.23Å; L543-K547 PolarHBondContact O-N 3.45Å; L543-L583 HydrophobicContact CB-CD1 4.07Å; L543-W586 HydrophobicContact CD1-CE3 4.39Å; L543-W586 HydrophobicContact CD1-CZ3 4.19Å; L543-V587 HydrophobicContact CD1-CG2 4.05Å |
| 544 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V540 D541 S542 I546 K547 Y548 F570 P571 L583 | V540-A544 WeakPolarHBondContact O-CB 3.5Å; V540-A544 PolarHBondContact O-N 3.39Å; D541-A544 PolarHBondContact O-N 3Å; S542-A544 VanDerWaalsContact C-N 3.32Å; A544-I546 PolarHBondContact O-N 3.36Å; A544-K547 PolarHBondContact O-N 2.85Å; A544-Y548 HydrophobicContact CB-CD2 4.32Å; A544-Y548 WeakPolarHBondContact O-CB 3.14Å; A544-Y548 VanDerWaalsContact O-CD2 3.3Å; A544-Y548 WeakPolarHBondContact O-CD2 3.28Å; A544-Y548 PolarHBondContact O-N 3.46Å; A544-F570 HydrophobicContact CB-CD2 4.26Å; A544-P571 HydrophobicContact CB-CG 4.36Å; A544-P571 VanDerWaalsContact CB-O 3.29Å; A544-P571 WeakPolarHBondContact CB-O 3.34Å; A544-L583 HydrophobicContact CB-CD1 3.9Å |
| 545 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D541 S542 K547 A549 V551 F570 P627 | D541-A545 WeakPolarHBondContact O-CB 3.31Å; D541-A545 PolarHBondContact O-N 2.98Å; S542-A545 PolarHBondContact O-N 3.35Å; A545-K547 VanDerWaalsContact C-N 3.31Å; A545-K547 PolarHBondContact O-N 3.16Å; A545-A549 CarbonylContact O-C 3.42Å; A545-A549 WeakPolarHBondContact O-CA 3.44Å; A545-A549 WeakPolarHBondContact O-CB 3.45Å; A545-A549 PolarHBondContact O-N 3.29Å; A545-V551 HydrophobicContact CB-CG2 3.86Å; A545-F570 HydrophobicContact CB-CD1 3.85Å; A545-F570 HydrophobicContact CB-CD2 3.78Å; A545-F570 HydrophobicContact CB-CE1 3.85Å; A545-F570 HydrophobicContact CB-CE2 3.78Å; A545-F570 HydrophobicContact CB-CG 3.82Å; A545-F570 HydrophobicContact CB-CZ 3.82Å; A545-P627 WeakPolarHBondContact CB-O 3.34Å |
| 546 | I | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 5% | 0.046 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 178.2 | -65.8 | 164.4 | 0 | 0 | 0 | 111.2 | L477 F479 V482 S542 L543 A544 V551 P627 | L477-I546 HydrophobicContact CB-CG1 4.32Å; L477-I546 HydrophobicContact CB-CG2 3.99Å; L477-I546 HydrophobicContact CD1-CD1 3.9Å; L477-I546 HydrophobicContact CD1-CG1 4.07Å; F479-I546 HydrophobicContact CB-CG2 4.12Å; F479-I546 HydrophobicContact CD2-CG2 4.4Å; V482-I546 HydrophobicContact CG1-CD1 4.01Å; V482-I546 HydrophobicContact CG2-CD1 4.26Å; V482-I546 HydrophobicContact CG2-CG2 4.42Å; S542-I546 WeakPolarHBondContact O-CD1 3.47Å; S542-I546 VanDerWaalsContact O-CG1 3.23Å; S542-I546 WeakPolarHBondContact O-CG1 3.41Å; S542-I546 PolarHBondContact O-N 2.95Å; L543-I546 PolarHBondContact O-N 3.43Å; A544-I546 PolarHBondContact O-N 3.36Å; I546-V551 HydrophobicContact CG1-CB 4.14Å; I546-V551 HydrophobicContact CG1-CG2 3.96Å; I546-P627 HydrophobicContact CD1-CB 3.88Å; I546-P627 HydrophobicContact CD1-CG 4.06Å; I546-P627 HydrophobicContact CG1-CB 4.04Å |
| 547 | K | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 36.1 Ų | 36.1 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -77.6 | -38.8 | -176.9 | -167.2 | 171.1 | -175.9 | 177.7 | 0 | 114.2 | F479 L543 A544 A545 | F479-K547 HydrophobicContact CB-CB 4.48Å; F479-K547 HydrophobicContact CD1-CD 4.22Å; F479-K547 HydrophobicContact CD1-CG 4.29Å; F479-K547 HydrophobicContact CD2-CB 3.55Å; F479-K547 HydrophobicContact CD2-CD 4.11Å; F479-K547 HydrophobicContact CD2-CG 3.98Å; F479-K547 HydrophobicContact CE1-CD 3.96Å; F479-K547 HydrophobicContact CE2-CB 3.92Å; F479-K547 HydrophobicContact CE2-CD 3.84Å; F479-K547 HydrophobicContact CE2-CG 4.23Å; F479-K547 HydrophobicContact CG-CB 4Å; F479-K547 HydrophobicContact CG-CD 4.29Å; F479-K547 HydrophobicContact CG-CG 4.01Å; F479-K547 HydrophobicContact CZ-CD 3.77Å; L543-K547 VanDerWaalsContact O-CB 3.31Å; L543-K547 WeakPolarHBondContact O-CB 3.23Å; L543-K547 PolarHBondContact O-N 3.45Å; A544-K547 PolarHBondContact O-N 2.85Å; A545-K547 VanDerWaalsContact C-N 3.31Å; A545-K547 PolarHBondContact O-N 3.16Å |
| 548 | Y | 98.6 | Very high | 98 | Very high | 84 Ų | 84 | 41.1 Ų | 41.1 | 33% | 0.329 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -113.5 | -15.9 | -167.3 | -61.7 | -68.7 | 0 | 0 | 0 | 114.1 | A544 P571 R579 | A544-Y548 HydrophobicContact CB-CD2 4.32Å; A544-Y548 WeakPolarHBondContact O-CB 3.14Å; A544-Y548 VanDerWaalsContact O-CD2 3.3Å; A544-Y548 WeakPolarHBondContact O-CD2 3.28Å; A544-Y548 PolarHBondContact O-N 3.46Å; Y548-P571 HydrophobicContact CD2-CG 3.6Å; Y548-P571 HydrophobicContact CE2-CG 3.99Å; Y548-P571 HydrophobicContact CG-CG 4.21Å; Y548-R579 HydrophobicContact CE1-CG 4.42Å; Y548-R579 HydrophobicContact CE2-CB 3.79Å |
| 549 | A | 98.5 | Very high | 97.8 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 12% | 0.124 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -116.5 | -166.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A545 I566 F570 | A545-A549 CarbonylContact O-C 3.42Å; A545-A549 WeakPolarHBondContact O-CA 3.44Å; A545-A549 WeakPolarHBondContact O-CB 3.45Å; A545-A549 PolarHBondContact O-N 3.29Å; A549-I566 HydrophobicContact CB-CG2 4.03Å; A549-F570 HydrophobicContact CB-CB 4.22Å; A549-F570 HydrophobicContact CB-CD1 4.29Å |
| 550 | K | 98.5 | Very high | 97.7 | Very high | 119 Ų | 119 | 43.5 Ų | 43.5 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.1 | 171.2 | -65.2 | 179 | -178.1 | 177.1 | 0 | 109.5 | A476 F552 I566 D567 | A476-K550 HydrophobicContact CB-CB 4.04Å; A476-K550 HydrophobicContact CB-CG 4.46Å; K550-F552 HydrophobicContact CB-CD2 4.49Å; K550-F552 HydrophobicContact CB-CE2 3.69Å; K550-F552 HydrophobicContact CB-CZ 4.12Å; K550-F552 HydrophobicContact CD-CZ 4.34Å; K550-I566 CarbonylContact O-C 3.58Å; K550-I566 WeakPolarHBondContact O-CA 3.35Å; K550-D567 HydrophobicContact CB-CB 4.26Å; K550-D567 PolarHBondContact N-O 3.33Å; K550-D567 PolarHBondContact O-N 3.04Å |
| 551 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 114.8 | 179 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | A476 L477 A545 I546 F564 K565 I566 P627 | A476-V551 CarbonylContact C-O 3.59Å; A476-V551 VanDerWaalsContact CA-O 3.27Å; A476-V551 WeakPolarHBondContact CA-O 3.46Å; L477-V551 HydrophobicContact CD1-CB 4.45Å; L477-V551 HydrophobicContact CD1-CG1 4.16Å; L477-V551 PolarHBondContact N-O 2.89Å; A545-V551 HydrophobicContact CB-CG2 3.86Å; I546-V551 HydrophobicContact CG1-CB 4.14Å; I546-V551 HydrophobicContact CG1-CG2 3.96Å; V551-F564 HydrophobicContact CG1-CB 3.86Å; V551-F564 HydrophobicContact CG1-CD1 3.72Å; V551-F564 HydrophobicContact CG1-CG 4.07Å; V551-K565 CarbonylContact C-O 3.48Å; V551-K565 WeakPolarHBondContact CA-O 3.32Å; V551-I566 HydrophobicContact CG2-CG1 4.35Å; V551-I566 HydrophobicContact CG2-CG2 4.47Å; V551-P627 HydrophobicContact CG1-CB 4.1Å |
| 552 | F | 98.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 25% | 0.254 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.5 | 178.6 | -60.8 | -92.7 | 0 | 0 | 0 | 110.2 | A476 K550 F564 K565 D567 | A476-F552 HydrophobicContact CB-CD1 4.23Å; A476-F552 HydrophobicContact CB-CE1 3.94Å; A476-F552 HydrophobicContact CB-CE2 4.49Å; A476-F552 HydrophobicContact CB-CZ 4.08Å; K550-F552 HydrophobicContact CB-CD2 4.49Å; K550-F552 HydrophobicContact CB-CE2 3.69Å; K550-F552 HydrophobicContact CB-CZ 4.12Å; K550-F552 HydrophobicContact CD-CZ 4.34Å; F552-F564 WeakPolarHBondContact O-CA 3.43Å; F552-K565 HydrophobicContact CB-CB 4.37Å; F552-K565 PolarHBondContact N-O 3.34Å; F552-K565 PolarHBondContact O-N 2.87Å; F552-D567 HydrophobicContact CE2-CB 4.17Å |
| 553 | P | 98.2 | Very high | 97.6 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.071 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.4 | 175.9 | 29.3 | -32.4 | 0 | 0 | 0 | 110.9 | D475 L477 V561 F564 | D475-P553 VanDerWaalsContact O-CD 3.28Å; D475-P553 WeakPolarHBondContact O-CD 3.08Å; L477-P553 HydrophobicContact CD2-CB 4.33Å; L477-P553 HydrophobicContact CD2-CG 4.06Å; P553-V561 HydrophobicContact CB-CB 4.35Å; P553-V561 HydrophobicContact CB-CG1 3.61Å; P553-V561 HydrophobicContact CB-CG2 3.72Å; P553-F564 HydrophobicContact CB-CE1 4.37Å |
| 554 | I | 97.8 | Very high | 97.6 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 40% | 0.395 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.8 | 172.1 | -57 | 174.8 | 0 | 0 | 0 | 107.7 | V561 T562 D563 K565 | I554-V561 WeakPolarHBondContact O-CA 3.5Å; I554-T562 PolarHBondContact O-N 2.97Å; I554-D563 HydrophobicContact CB-CB 4.04Å; I554-D563 WeakPolarHBondContact CB-O 3.47Å; I554-D563 HydrophobicContact CD1-CB 4.19Å; I554-D563 HydrophobicContact CG2-CB 4.48Å; I554-D563 PolarHBondContact N-O 3.26Å; I554-D563 PolarHBondContact O-N 3.49Å; I554-K565 HydrophobicContact CD1-CB 4.31Å |
| 555 | R | 97.2 | Very high | 97.5 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 149.1 | -177.3 | -61.7 | 173.2 | -167.2 | -78.3 | -5.7 | 112 | I471 S473 D474 G559 I560 V561 | I471-R555 PolarHBondContact O-NH1 2.93Å; I471-R555 PolarHBondContact O-NH2 3.44Å; S473-R555 PolarHBondContact O-NH2 3.06Å; D474-R555 IonicContact OD1-NE 3.48Å; D474-R555 PolarHBondContact OD1-NE 2.72Å; R555-G559 WeakPolarHBondContact CD-O 3.35Å; R555-G559 PolarHBondContact NH1-O 2.9Å; R555-I560 CarbonylContact C-O 3.56Å; R555-I560 WeakPolarHBondContact CA-O 3.47Å; R555-V561 HydrophobicContact CG-CG2 3.95Å |
| 556 | D | 96 | Very high | 97.5 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | trans | -83.2 | -174.5 | 166.6 | 77.9 | -5 | 0 | 0 | 0 | 111.9 | K461 D558 G559 I560 T562 | K461-D556 WeakPolarHBondContact CE-OD2 3.48Å; K461-D556 IonicContact NZ-OD2 3.85Å; K461-D556 PolarHBondContact NZ-OD2 2.82Å; D556-D558 PolarHBondContact O-N 3.16Å; D556-D558 WeakPolarHBondContact OD1-CA 2.9Å; D556-D558 PolarHBondContact OD1-N 3.47Å; D556-G559 PolarHBondContact O-N 2.89Å; D556-G559 VanDerWaalsContact O-N 3.09Å; D556-G559 PolarHBondContact OD1-N 2.94Å; D556-I560 PolarHBondContact N-O 3.19Å; D556-I560 PolarHBondContact OD1-N 3.14Å; D556-T562 HydrophobicContact CB-CG2 4.12Å | ||
| 557 | E | 95.2 | Very high | 97.5 | Very high | 186 Ų | 186 | 61.6 Ų | 61.6 | 87% | 0.869 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.4 | 179.4 | 61 | -158.4 | -162.6 | 0 | 0 | 114.9 | G559 | E557-G559 VanDerWaalsContact C-N 3.35Š|
| 558 | D | 93.2 | Very high | 97.4 | Very high | 104 Ų | 104 | 59.2 Ų | 59.2 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.8 | 175.5 | -65.3 | -49.7 | 0 | 0 | 0 | 112.1 | K461 D556 I560 | K461-D558 VanDerWaalsContact CD-OD2 3.29Å; K461-D558 WeakPolarHBondContact CD-OD2 3.24Å; K461-D558 IonicContact NZ-OD2 3.46Å; K461-D558 PolarHBondContact NZ-OD2 3.45Å; D556-D558 PolarHBondContact O-N 3.16Å; D556-D558 WeakPolarHBondContact OD1-CA 2.9Å; D556-D558 PolarHBondContact OD1-N 3.47Å; D558-I560 VanDerWaalsContact C-N 3.28Å; D558-I560 HydrophobicContact CB-CG1 4.19Å |
| 559 | G | 94.4 | Very high | 97.3 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 80.4 | 6.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R555 D556 E557 | R555-G559 WeakPolarHBondContact CD-O 3.35Å; R555-G559 PolarHBondContact NH1-O 2.9Å; D556-G559 PolarHBondContact O-N 2.89Å; D556-G559 VanDerWaalsContact O-N 3.09Å; D556-G559 PolarHBondContact OD1-N 2.94Å; E557-G559 VanDerWaalsContact C-N 3.35Å |
| 560 | I | 97.2 | Very high | 97.3 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | trans | -82.3 | 132.3 | -179.7 | -57 | -57.1 | 0 | 0 | 0 | 109.2 | V456 E458 R555 D556 D558 T562 | V456-I560 HydrophobicContact CB-CD1 4.09Å; V456-I560 HydrophobicContact CG1-CD1 3.75Å; V456-I560 HydrophobicContact CG1-CG1 4.44Å; V456-I560 HydrophobicContact CG2-CD1 4.38Å; E458-I560 HydrophobicContact CB-CG2 4.45Å; R555-I560 CarbonylContact C-O 3.56Å; R555-I560 WeakPolarHBondContact CA-O 3.47Å; D556-I560 PolarHBondContact N-O 3.19Å; D556-I560 PolarHBondContact OD1-N 3.14Å; D558-I560 VanDerWaalsContact C-N 3.28Å; D558-I560 HydrophobicContact CB-CG1 4.19Å; I560-T562 HydrophobicContact CG2-CG2 4.33Å; I560-T562 PolarHBondContact O-N 3.44Å | ||
| 561 | V | 98 | Very high | 97.3 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 116.7 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 109 | I452 N453 P553 I554 R555 F564 | I452-V561 HydrophobicContact CG2-CB 4.01Å; I452-V561 HydrophobicContact CG2-CG1 4.34Å; I452-V561 HydrophobicContact CG2-CG2 3.78Å; N453-V561 PolarHBondContact ND2-O 3.18Å; N453-V561 VanDerWaalsContact OD1-CB 3.26Å; N453-V561 WeakPolarHBondContact OD1-CB 3.09Å; N453-V561 WeakPolarHBondContact OD1-CG2 3.17Å; N453-V561 PolarHBondContact OD1-N 3.04Å; P553-V561 HydrophobicContact CB-CB 4.35Å; P553-V561 HydrophobicContact CB-CG1 3.61Å; P553-V561 HydrophobicContact CB-CG2 3.72Å; I554-V561 WeakPolarHBondContact O-CA 3.5Å; R555-V561 HydrophobicContact CG-CG2 3.95Å; V561-F564 HydrophobicContact CG1-CD1 4.2Å; V561-F564 HydrophobicContact CG1-CE1 3.48Å; V561-F564 VanDerWaalsContact CG1-CE1 3.48Å; V561-F564 HydrophobicContact CG1-CE2 4.29Å; V561-F564 HydrophobicContact CG1-CZ 3.54Å |
| 562 | T | 97.4 | Very high | 97.3 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -15.7 | -177 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | I554 D556 I560 | I554-T562 PolarHBondContact O-N 2.97Å; D556-T562 HydrophobicContact CB-CG2 4.12Å; I560-T562 HydrophobicContact CG2-CG2 4.33Å; I560-T562 PolarHBondContact O-N 3.44Å |
| 563 | D | 98.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171.3 | 176.6 | -154.4 | -16.7 | 0 | 0 | 0 | 110.5 | I554 T625 K631 | I554-D563 HydrophobicContact CB-CB 4.04Å; I554-D563 WeakPolarHBondContact CB-O 3.47Å; I554-D563 HydrophobicContact CD1-CB 4.19Å; I554-D563 HydrophobicContact CG2-CB 4.48Å; I554-D563 PolarHBondContact N-O 3.26Å; I554-D563 PolarHBondContact O-N 3.49Å; D563-T625 WeakPolarHBondContact OD1-CG2 3.3Å; D563-K631 IonicContact OD1-NZ 3.19Å; D563-K631 PolarHBondContact OD1-NZ 3.35Å; D563-K631 IonicContact OD2-NZ 3.82Å |
| 564 | F | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.3 | -178.5 | -61.3 | -81.7 | 0 | 0 | 0 | 110.9 | L449 I452 L477 V551 F552 P553 V561 T625 P627 | L449-F564 HydrophobicContact CD2-CE2 4.01Å; L449-F564 HydrophobicContact CD2-CZ 4.19Å; I452-F564 HydrophobicContact CD1-CE1 4.06Å; I452-F564 HydrophobicContact CD1-CZ 3.79Å; L477-F564 HydrophobicContact CD1-CD1 4.27Å; L477-F564 HydrophobicContact CD1-CE1 3.9Å; V551-F564 HydrophobicContact CG1-CB 3.86Å; V551-F564 HydrophobicContact CG1-CD1 3.72Å; V551-F564 HydrophobicContact CG1-CG 4.07Å; F552-F564 WeakPolarHBondContact O-CA 3.43Å; P553-F564 HydrophobicContact CB-CE1 4.37Å; V561-F564 HydrophobicContact CG1-CD1 4.2Å; V561-F564 HydrophobicContact CG1-CE1 3.48Å; V561-F564 VanDerWaalsContact CG1-CE1 3.48Å; V561-F564 HydrophobicContact CG1-CE2 4.29Å; V561-F564 HydrophobicContact CG1-CZ 3.54Å; F564-T625 HydrophobicContact CD2-CG2 4.25Å; F564-T625 VanDerWaalsContact CE2-O 3.24Å; F564-T625 WeakPolarHBondContact CE2-O 3.4Å; F564-P627 HydrophobicContact CD1-CG 4.5Å; F564-P627 HydrophobicContact CD2-CG 4.37Å; F564-P627 HydrophobicContact CE1-CG 4.19Å; F564-P627 HydrophobicContact CE2-CG 4.06Å; F564-P627 HydrophobicContact CZ-CG 3.96Å |
| 565 | K | 98.2 | Very high | 97.3 | Very high | 130 Ų | 130 | 56.1 Ų | 56.1 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.7 | 166.9 | 179.4 | -171.7 | 172.3 | -168 | 0 | 109.3 | V551 F552 I554 | V551-K565 CarbonylContact C-O 3.48Å; V551-K565 WeakPolarHBondContact CA-O 3.32Å; F552-K565 HydrophobicContact CB-CB 4.37Å; F552-K565 PolarHBondContact N-O 3.34Å; F552-K565 PolarHBondContact O-N 2.87Å; I554-K565 HydrophobicContact CD1-CB 4.31Å |
| 566 | I | 98.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.1 | 178.2 | -49.8 | 171.3 | 0 | 0 | 0 | 108.9 | A549 K550 V551 F570 P627 | A549-I566 HydrophobicContact CB-CG2 4.03Å; K550-I566 CarbonylContact O-C 3.58Å; K550-I566 WeakPolarHBondContact O-CA 3.35Å; V551-I566 HydrophobicContact CG2-CG1 4.35Å; V551-I566 HydrophobicContact CG2-CG2 4.47Å; I566-F570 HydrophobicContact CD1-CE1 4.25Å; I566-F570 HydrophobicContact CG2-CD1 4.33Å; I566-F570 HydrophobicContact CG2-CE1 4.22Å; I566-P627 WeakPolarHBondContact CD1-O 3.23Å |
| 567 | D | 98.2 | Very high | 97.4 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 110.1 | 172.7 | -179.5 | 29.8 | 0 | 0 | 0 | 109.6 | K550 F552 | K550-D567 HydrophobicContact CB-CB 4.26Å; K550-D567 PolarHBondContact N-O 3.33Å; K550-D567 PolarHBondContact O-N 3.04Å; F552-D567 HydrophobicContact CE2-CB 4.17Å |
| 568 | G | 97.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 50.8 Ų | 50.8 | 45% | 0.454 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 111.6 | 161.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 569 | E | 96.9 | Very high | 97.8 | Very high | 179 Ų | 179 | 51.3 Ų | 51.3 | 84% | 0.836 | 28% | 0.277 | S | S | * | . | trans | -87.6 | 151.6 | 173 | -65.7 | -66.3 | 145.3 | 0 | 0 | 110.4 | ||||
| 570 | F | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -142.6 | 152.7 | 178.4 | 61.9 | -85.4 | 0 | 0 | 0 | 110.8 | D541 A544 A545 A549 I566 K572 D628 | D541-F570 HydrophobicContact CB-CE2 4.33Å; D541-F570 WeakPolarHBondContact O-CE2 3.49Å; A544-F570 HydrophobicContact CB-CD2 4.26Å; A545-F570 HydrophobicContact CB-CD1 3.85Å; A545-F570 HydrophobicContact CB-CD2 3.78Å; A545-F570 HydrophobicContact CB-CE1 3.85Å; A545-F570 HydrophobicContact CB-CE2 3.78Å; A545-F570 HydrophobicContact CB-CG 3.82Å; A545-F570 HydrophobicContact CB-CZ 3.82Å; A549-F570 HydrophobicContact CB-CB 4.22Å; A549-F570 HydrophobicContact CB-CD1 4.29Å; I566-F570 HydrophobicContact CD1-CE1 4.25Å; I566-F570 HydrophobicContact CG2-CD1 4.33Å; I566-F570 HydrophobicContact CG2-CE1 4.22Å; F570-K572 HydrophobicContact CD2-CG 4.26Å; F570-K572 HydrophobicContact CE2-CD 4.5Å; F570-K572 HydrophobicContact CE2-CG 3.84Å; F570-D628 HydrophobicContact CZ-CB 4.48Å | ||
| 571 | P | 97.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | trans | -68 | 141.2 | 176.1 | 28.7 | -32.8 | 0 | 0 | 0 | 110.5 | A544 Y548 D577 R579 A580 | A544-P571 HydrophobicContact CB-CG 4.36Å; A544-P571 VanDerWaalsContact CB-O 3.29Å; A544-P571 WeakPolarHBondContact CB-O 3.34Å; Y548-P571 HydrophobicContact CD2-CG 3.6Å; Y548-P571 HydrophobicContact CE2-CG 3.99Å; Y548-P571 HydrophobicContact CG-CG 4.21Å; P571-D577 HydrophobicContact CB-CB 4.37Å; P571-R579 HydrophobicContact CB-CB 4.21Å; P571-R579 HydrophobicContact CG-CB 3.68Å; P571-A580 HydrophobicContact CB-CB 4.24Å | ||
| 572 | K | 98.2 | Very high | 98.1 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 26% | 0.261 | 28% | 0.283 | S | S | . | . | trans | -114.5 | 142 | 174 | -64 | -172.8 | 175.8 | -168.7 | 0 | 110.7 | D541 F570 N575 A646 | D541-K572 VanDerWaalsContact OD1-CA 3.32Å; D541-K572 WeakPolarHBondContact OD1-CA 3.37Å; F570-K572 HydrophobicContact CD2-CG 4.26Å; F570-K572 HydrophobicContact CE2-CD 4.5Å; F570-K572 HydrophobicContact CE2-CG 3.84Å; K572-N575 PolarHBondContact O-ND2 2.55Å; K572-A646 HydrophobicContact CB-CB 3.87Å; K572-A646 HydrophobicContact CD-CB 3.89Å | ||
| 573 | Y | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -56.1 | 140.7 | 173.9 | 178.2 | -115.8 | 0 | 0 | 0 | 111.2 | F536 V540 D541 D581 A584 A640 P642 L658 L661 | F536-Y573 HydrophobicContact CE1-CE1 4.46Å; V540-Y573 HydrophobicContact CG1-CG 4.38Å; D541-Y573 WeakPolarHBondContact OD1-CB 3.19Å; D541-Y573 PolarHBondContact OD1-N 3.47Å; Y573-D581 WeakPolarHBondContact CD2-OD1 3.41Å; Y573-A584 HydrophobicContact CD2-CB 3.92Å; Y573-A584 HydrophobicContact CE2-CB 3.85Å; Y573-A640 WeakPolarHBondContact CE1-O 3.43Å; Y573-P642 HydrophobicContact CD1-CB 4.49Å; Y573-P642 HydrophobicContact CD1-CG 4.34Å; Y573-P642 HydrophobicContact CE1-CG 4.41Å; Y573-P642 WeakPolarHBondContact O-CB 3.48Å; Y573-L658 HydrophobicContact CE1-CD1 4.05Å; Y573-L658 VanDerWaalsContact OH-CD1 3.31Å; Y573-L658 WeakPolarHBondContact OH-CD1 3.31Å; Y573-L658 WeakPolarHBondContact OH-CG 3.36Å; Y573-L661 VanDerWaalsContact OH-CD1 3.23Å; Y573-L661 WeakPolarHBondContact OH-CD1 3.47Å |
| 574 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 95.3 | 20.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S654 S657 | G574-S654 VanDerWaalsContact O-CA 3.31Å; G574-S654 WeakPolarHBondContact O-CA 3.48Å; G574-S657 WeakPolarHBondContact CA-OG 3.44Å; G574-S657 PolarHBondContact N-OG 3.16Å |
| 575 | N | 98.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -130.7 | 13.6 | -176.9 | -70.8 | -72.3 | 0 | 0 | 0 | 114.1 | K572 D577 A646 Q648 N649 S657 | K572-N575 PolarHBondContact O-ND2 2.55Å; N575-D577 VanDerWaalsContact C-N 3.3Å; N575-D577 PolarHBondContact O-N 3.37Å; N575-A646 PolarHBondContact ND2-O 3.49Å; N575-A646 PolarHBondContact OD1-O 2.97Å; N575-Q648 PolarHBondContact OD1-N 2.92Å; N575-N649 PolarHBondContact O-ND2 3.2Å; N575-N649 PolarHBondContact OD1-N 2.94Å; N575-S657 PolarHBondContact N-OG 2.91Å; N575-S657 VanDerWaalsContact N-OG 3.12Å |
| 576 | D | 97.9 | Very high | 98.2 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 41% | 0.406 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 54.6 | 44.4 | -172.9 | -157.8 | 12.7 | 0 | 0 | 0 | 111.9 | A653 N656 S657 | D576-A653 HydrophobicContact CB-CB 4.31Å; D576-A653 PolarHBondContact N-O 2.69Å; D576-N656 HydrophobicContact CB-CB 4.08Å; D576-N656 PolarHBondContact OD2-ND2 3.49Å; D576-N656 VanDerWaalsContact OD2-ND2 3.08Å; D576-S657 WeakPolarHBondContact CA-OG 2.7Å; D576-S657 PolarHBondContact N-OG 3.19Å |
| 577 | D | 98.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | trans | -115.1 | 105.6 | 178.3 | -167.6 | -38.1 | 0 | 0 | 0 | 110 | P571 N575 R579 A580 D581 | P571-D577 HydrophobicContact CB-CB 4.37Å; N575-D577 VanDerWaalsContact C-N 3.3Å; N575-D577 PolarHBondContact O-N 3.37Å; D577-R579 PolarHBondContact O-N 3.13Å; D577-R579 VanDerWaalsContact OD1-CB 3.22Å; D577-R579 WeakPolarHBondContact OD1-CB 3.38Å; D577-R579 WeakPolarHBondContact OD1-CG 3.28Å; D577-R579 IonicContact OD1-CZ 3.86Å; D577-R579 PolarHBondContact OD1-N 3.49Å; D577-R579 IonicContact OD1-NE 3.49Å; D577-R579 PolarHBondContact OD1-NE 2.91Å; D577-R579 IonicContact OD1-NH2 3.91Å; D577-R579 IonicContact OD2-CZ 3.34Å; D577-R579 IonicContact OD2-NE 2.98Å; D577-R579 PolarHBondContact OD2-NE 3.18Å; D577-R579 IonicContact OD2-NH2 2.66Å; D577-R579 PolarHBondContact OD2-NH2 3.48Å; D577-A580 PolarHBondContact O-N 2.71Å; D577-D581 PolarHBondContact N-OD2 3.43Å; D577-D581 PolarHBondContact O-N 2.79Å | ||
| 578 | A | 98.2 | Very high | 98.2 | Very high | 58 Ų | 58 | 41 Ų | 41 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -51.3 | -28.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A580 D581 D582 | A578-A580 VanDerWaalsContact C-N 3.3Å; A578-A580 PolarHBondContact O-N 2.84Å; A578-D581 PolarHBondContact O-N 3.3Å; A578-D582 WeakPolarHBondContact O-CB 3.19Å; A578-D582 PolarHBondContact O-N 3.26Å |
| 579 | R | 98.5 | Very high | 98.3 | Very high | 115 Ų | 115 | 42 Ų | 42 | 43% | 0.434 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -35.2 | 179.3 | -63.1 | 177.7 | -67.1 | 164.8 | -3.1 | 113.1 | Y548 P571 D577 | Y548-R579 HydrophobicContact CE1-CG 4.42Å; Y548-R579 HydrophobicContact CE2-CB 3.79Å; P571-R579 HydrophobicContact CB-CB 4.21Å; P571-R579 HydrophobicContact CG-CB 3.68Å; D577-R579 PolarHBondContact O-N 3.13Å; D577-R579 VanDerWaalsContact OD1-CB 3.22Å; D577-R579 WeakPolarHBondContact OD1-CB 3.38Å; D577-R579 WeakPolarHBondContact OD1-CG 3.28Å; D577-R579 IonicContact OD1-CZ 3.86Å; D577-R579 PolarHBondContact OD1-N 3.49Å; D577-R579 IonicContact OD1-NE 3.49Å; D577-R579 PolarHBondContact OD1-NE 2.91Å; D577-R579 IonicContact OD1-NH2 3.91Å; D577-R579 IonicContact OD2-CZ 3.34Å; D577-R579 IonicContact OD2-NE 2.98Å; D577-R579 PolarHBondContact OD2-NE 3.18Å; D577-R579 IonicContact OD2-NH2 2.66Å; D577-R579 PolarHBondContact OD2-NH2 3.48Å |
| 580 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -91.6 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | V540 P571 D577 A578 D582 L583 A584 | V540-A580 HydrophobicContact CG1-CB 4.36Å; V540-A580 WeakPolarHBondContact CG1-O 3.24Å; P571-A580 HydrophobicContact CB-CB 4.24Å; D577-A580 PolarHBondContact O-N 2.71Å; A578-A580 VanDerWaalsContact C-N 3.3Å; A578-A580 PolarHBondContact O-N 2.84Å; A580-D582 VanDerWaalsContact C-N 3.33Å; A580-D582 PolarHBondContact O-N 2.82Å; A580-L583 WeakPolarHBondContact O-CB 3.38Å; A580-L583 PolarHBondContact O-N 2.92Å; A580-L583 VanDerWaalsContact O-N 3.07Å; A580-A584 PolarHBondContact O-N 2.77Å |
| 581 | D | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.7 | -35.4 | -176.7 | -61 | -13 | 0 | 0 | 0 | 112 | Y573 D577 A578 L583 A584 V585 S657 K660 | Y573-D581 WeakPolarHBondContact CD2-OD1 3.41Å; D577-D581 PolarHBondContact N-OD2 3.43Å; D577-D581 PolarHBondContact O-N 2.79Å; A578-D581 PolarHBondContact O-N 3.3Å; D581-L583 VanDerWaalsContact C-N 3.3Å; D581-L583 PolarHBondContact O-N 2.78Å; D581-A584 VanDerWaalsContact O-CB 3.26Å; D581-A584 WeakPolarHBondContact O-CB 3.23Å; D581-A584 PolarHBondContact O-N 2.66Å; D581-A584 VanDerWaalsContact O-N 3.12Å; D581-V585 WeakPolarHBondContact O-CG2 3.44Å; D581-V585 PolarHBondContact O-N 3.35Å; D581-S657 VanDerWaalsContact CG-OG 3.23Å; D581-S657 WeakPolarHBondContact OD1-CB 3.45Å; D581-S657 PolarHBondContact OD1-OG 2.62Å; D581-S657 WeakPolarHBondContact OD2-CA 3.29Å; D581-S657 WeakPolarHBondContact OD2-CB 3.26Å; D581-S657 PolarHBondContact OD2-OG 3.3Å; D581-K660 HydrophobicContact CB-CB 4.38Å; D581-K660 HydrophobicContact CB-CG 4.05Å |
| 582 | D | 98.7 | Very high | 98.4 | Very high | 111 Ų | 111 | 32.4 Ų | 32.4 | 59% | 0.594 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -65.3 | -33.3 | 174.1 | -71.6 | -17.7 | 0 | 0 | 0 | 112 | A578 A580 V585 W586 | A578-D582 WeakPolarHBondContact O-CB 3.19Å; A578-D582 PolarHBondContact O-N 3.26Å; A580-D582 VanDerWaalsContact C-N 3.33Å; A580-D582 PolarHBondContact O-N 2.82Å; D582-V585 PolarHBondContact O-N 3.42Å; D582-W586 PolarHBondContact O-N 3.33Å |
| 583 | L | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.8 | -36.6 | 172.9 | -68.1 | 171.4 | 0 | 0 | 0 | 110.8 | F479 V540 L543 A544 A580 D581 W586 V587 | F479-L583 HydrophobicContact CE2-CD2 4.24Å; F479-L583 HydrophobicContact CZ-CD2 3.96Å; V540-L583 HydrophobicContact CG1-CB 4.1Å; L543-L583 HydrophobicContact CB-CD1 4.07Å; A544-L583 HydrophobicContact CB-CD1 3.9Å; A580-L583 WeakPolarHBondContact O-CB 3.38Å; A580-L583 PolarHBondContact O-N 2.92Å; A580-L583 VanDerWaalsContact O-N 3.07Å; D581-L583 VanDerWaalsContact C-N 3.3Å; D581-L583 PolarHBondContact O-N 2.78Å; L583-W586 PolarHBondContact O-N 3.38Å; L583-V587 WeakPolarHBondContact O-CG2 3.19Å; L583-V587 PolarHBondContact O-N 3.2Å |
| 584 | A | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F536 V540 Y573 A580 D581 W586 V587 L588 L661 | F536-A584 HydrophobicContact CE1-CB 3.83Å; F536-A584 HydrophobicContact CZ-CB 3.75Å; F536-A584 VanDerWaalsContact CZ-O 3.23Å; F536-A584 WeakPolarHBondContact CZ-O 3.5Å; V540-A584 HydrophobicContact CG1-CB 4.11Å; V540-A584 VanDerWaalsContact CG2-CA 3.43Å; V540-A584 HydrophobicContact CG2-CB 3.71Å; Y573-A584 HydrophobicContact CD2-CB 3.92Å; Y573-A584 HydrophobicContact CE2-CB 3.85Å; A580-A584 PolarHBondContact O-N 2.77Å; D581-A584 VanDerWaalsContact O-CB 3.26Å; D581-A584 WeakPolarHBondContact O-CB 3.23Å; D581-A584 PolarHBondContact O-N 2.66Å; D581-A584 VanDerWaalsContact O-N 3.12Å; A584-W586 VanDerWaalsContact C-N 3.32Å; A584-W586 PolarHBondContact O-N 2.94Å; A584-V587 PolarHBondContact O-N 3.12Å; A584-L588 PolarHBondContact O-N 3.15Å; A584-L588 VanDerWaalsContact O-N 3.16Å; A584-L661 HydrophobicContact CB-CD2 3.88Å |
| 585 | V | 98.7 | Very high | 98.5 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 174.8 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | D581 D582 L588 K589 K660 P662 | D581-V585 WeakPolarHBondContact O-CG2 3.44Å; D581-V585 PolarHBondContact O-N 3.35Å; D582-V585 PolarHBondContact O-N 3.42Å; V585-L588 PolarHBondContact O-N 2.99Å; V585-K589 HydrophobicContact CG1-CD 4Å; V585-K589 HydrophobicContact CG1-CG 4.33Å; V585-K589 WeakPolarHBondContact O-CG 3.24Å; V585-K589 PolarHBondContact O-N 3.38Å; V585-K660 HydrophobicContact CG2-CB 4.39Å; V585-K660 VanDerWaalsContact CG2-O 3.29Å; V585-K660 WeakPolarHBondContact CG2-O 3.18Å; V585-P662 HydrophobicContact CG1-CG 4.33Å |
| 586 | W | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 39.1 Ų | 39.1 | 28% | 0.28 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 177.5 | 179.9 | 86.4 | 0 | 0 | 0 | 112.4 | M483 Y486 L543 D582 L583 A584 L588 K589 T590 | M483-W586 HydrophobicContact CE-CD2 3.63Å; M483-W586 HydrophobicContact CE-CE3 3.72Å; M483-W586 HydrophobicContact CE-CG 4.48Å; M483-W586 HydrophobicContact CE-CH2 3.42Å; M483-W586 VanDerWaalsContact CE-CH2 3.42Å; M483-W586 HydrophobicContact CE-CZ2 3.3Å; M483-W586 HydrophobicContact CE-CZ3 3.63Å; M483-W586 HydrophobicContact SD-CE3 4.42Å; M483-W586 HydrophobicContact SD-CH2 4.03Å; M483-W586 HydrophobicContact SD-CZ2 4.47Å; M483-W586 HydrophobicContact SD-CZ3 4Å; Y486-W586 HydrophobicContact CD1-CH2 4.2Å; Y486-W586 HydrophobicContact CD1-CZ3 4.06Å; Y486-W586 HydrophobicContact CE1-CZ3 4.2Å; L543-W586 HydrophobicContact CD1-CE3 4.39Å; L543-W586 HydrophobicContact CD1-CZ3 4.19Å; D582-W586 PolarHBondContact O-N 3.33Å; L583-W586 PolarHBondContact O-N 3.38Å; A584-W586 VanDerWaalsContact C-N 3.32Å; A584-W586 PolarHBondContact O-N 2.94Å; W586-L588 VanDerWaalsContact C-N 3.34Å; W586-L588 PolarHBondContact O-N 3.25Å; W586-K589 PolarHBondContact O-N 3.37Å; W586-T590 HydrophobicContact CH2-CG2 4.09Å; W586-T590 HydrophobicContact CZ2-CG2 3.82Å; W586-T590 PolarHBondContact NE1-OG1 3.38Å; W586-T590 WeakPolarHBondContact O-CB 3.47Å; W586-T590 PolarHBondContact O-N 3.4Å; W586-T590 PolarHBondContact O-OG1 3.44Å |
| 587 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | -179.6 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L444 F536 V539 V540 L543 L583 A584 F591 | L444-V587 HydrophobicContact CD2-CG1 3.97Å; F536-V587 HydrophobicContact CD2-CG1 3.89Å; F536-V587 HydrophobicContact CE2-CB 3.98Å; F536-V587 HydrophobicContact CE2-CG1 3.81Å; V539-V587 HydrophobicContact CG1-CG1 4.35Å; V539-V587 HydrophobicContact CG1-CG2 3.78Å; V540-V587 HydrophobicContact CG2-CG2 4.29Å; L543-V587 HydrophobicContact CD1-CG2 4.05Å; L583-V587 WeakPolarHBondContact O-CG2 3.19Å; L583-V587 PolarHBondContact O-N 3.2Å; A584-V587 PolarHBondContact O-N 3.12Å; V587-F591 WeakPolarHBondContact O-CB 3.43Å; V587-F591 PolarHBondContact O-N 3Å; V587-F591 VanDerWaalsContact O-N 3.16Å |
| 588 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -53.9 | 179.7 | 173 | 59.1 | 0 | 0 | 0 | 111.6 | I533 F536 A584 V585 W586 T590 F591 M592 T608 I610 P662 A666 | I533-L588 HydrophobicContact CD1-CD1 4.16Å; F536-L588 HydrophobicContact CE2-CB 4.16Å; A584-L588 PolarHBondContact O-N 3.15Å; A584-L588 VanDerWaalsContact O-N 3.16Å; V585-L588 PolarHBondContact O-N 2.99Å; W586-L588 VanDerWaalsContact C-N 3.34Å; W586-L588 PolarHBondContact O-N 3.25Å; L588-T590 PolarHBondContact O-N 2.96Å; L588-F591 PolarHBondContact O-N 3Å; L588-M592 PolarHBondContact O-N 3Å; L588-M592 VanDerWaalsContact O-N 3.08Å; L588-T608 HydrophobicContact CD1-CG2 3.8Å; L588-I610 HydrophobicContact CD1-CD1 4.26Å; L588-I610 HydrophobicContact CD1-CG1 4.29Å; L588-I610 HydrophobicContact CD2-CD1 4.29Å; L588-P662 HydrophobicContact CD2-CG 4.29Å; L588-A666 HydrophobicContact CD1-CB 3.95Å; L588-A666 HydrophobicContact CD2-CB 4.04Å |
| 589 | K | 98.4 | Very high | 98.5 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -47.5 | -177.1 | -70.5 | -171.4 | 177.9 | -169.9 | 0 | 111.8 | V585 W586 F591 M592 E593 Y665 | V585-K589 HydrophobicContact CG1-CD 4Å; V585-K589 HydrophobicContact CG1-CG 4.33Å; V585-K589 WeakPolarHBondContact O-CG 3.24Å; V585-K589 PolarHBondContact O-N 3.38Å; W586-K589 PolarHBondContact O-N 3.37Å; K589-F591 VanDerWaalsContact C-N 3.34Å; K589-F591 PolarHBondContact O-N 2.72Å; K589-M592 PolarHBondContact O-N 2.94Å; K589-E593 WeakPolarHBondContact O-CG 3.31Å; K589-E593 PolarHBondContact O-N 2.99Å; K589-Y665 HydrophobicContact CB-CD1 4.21Å; K589-Y665 HydrophobicContact CB-CE1 4.32Å; K589-Y665 HydrophobicContact CD-CD2 4.38Å; K589-Y665 HydrophobicContact CD-CE1 4.14Å; K589-Y665 HydrophobicContact CD-CE2 4.07Å; K589-Y665 VanDerWaalsContact CE-CE2 3.4Å; K589-Y665 HydrophobicContact CG-CD1 3.77Å; K589-Y665 HydrophobicContact CG-CD2 4Å; K589-Y665 HydrophobicContact CG-CE1 3.87Å; K589-Y665 HydrophobicContact CG-CE2 4.15Å; K589-Y665 HydrophobicContact CG-CG 3.82Å |
| 590 | T | 98.4 | Very high | 98.5 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | -177.6 | -57 | 0 | 0 | 0 | 0 | 111.4 | L490 W586 L588 K594 | L490-T590 HydrophobicContact CD1-CG2 4.25Å; W586-T590 HydrophobicContact CH2-CG2 4.09Å; W586-T590 HydrophobicContact CZ2-CG2 3.82Å; W586-T590 PolarHBondContact NE1-OG1 3.38Å; W586-T590 WeakPolarHBondContact O-CB 3.47Å; W586-T590 PolarHBondContact O-N 3.4Å; W586-T590 PolarHBondContact O-OG1 3.44Å; L588-T590 PolarHBondContact O-N 2.96Å; T590-K594 HydrophobicContact CG2-CD 4.15Å; T590-K594 VanDerWaalsContact CG2-CE 3.43Å; T590-K594 WeakPolarHBondContact O-CD 3.43Å; T590-K594 WeakPolarHBondContact O-CG 3.29Å; T590-K594 PolarHBondContact O-N 3.34Å |
| 591 | F | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.6 | -39.1 | 179.2 | -166.3 | -117.6 | 0 | 0 | 0 | 112.1 | A442 L444 L490 L493 A494 Y497 I533 V587 L588 K589 K594 L595 | A442-F591 HydrophobicContact CB-CZ 4.45Å; L444-F591 HydrophobicContact CD1-CD1 4.4Å; L444-F591 HydrophobicContact CD1-CE1 4.09Å; L444-F591 HydrophobicContact CD1-CE2 4.33Å; L444-F591 HydrophobicContact CD1-CZ 4.05Å; L444-F591 HydrophobicContact CD2-CB 4.36Å; L444-F591 HydrophobicContact CD2-CD1 4.41Å; L444-F591 HydrophobicContact CD2-CD2 4.44Å; L444-F591 HydrophobicContact CD2-CG 4.16Å; L490-F591 HydrophobicContact CB-CD2 4.45Å; L490-F591 HydrophobicContact CD2-CD2 3.88Å; L490-F591 HydrophobicContact CD2-CE2 4.25Å; L493-F591 HydrophobicContact CD2-CE2 4.1Å; L493-F591 HydrophobicContact CD2-CZ 4.33Å; L493-F591 HydrophobicContact CG-CE2 4.2Å; L493-F591 HydrophobicContact CG-CZ 4.38Å; A494-F591 HydrophobicContact CB-CE2 4.36Å; Y497-F591 HydrophobicContact CD1-CZ 4.38Å; I533-F591 HydrophobicContact CD1-CB 4.44Å; I533-F591 HydrophobicContact CD1-CD1 3.82Å; I533-F591 HydrophobicContact CG1-CD1 3.65Å; I533-F591 HydrophobicContact CG1-CE1 3.99Å; V587-F591 WeakPolarHBondContact O-CB 3.43Å; V587-F591 PolarHBondContact O-N 3Å; V587-F591 VanDerWaalsContact O-N 3.16Å; L588-F591 PolarHBondContact O-N 3Å; K589-F591 VanDerWaalsContact C-N 3.34Å; K589-F591 PolarHBondContact O-N 2.72Å; F591-K594 PolarHBondContact O-N 2.9Å; F591-L595 HydrophobicContact CD1-CD1 3.83Å; F591-L595 HydrophobicContact CD1-CG 4.41Å; F591-L595 HydrophobicContact CE1-CD1 3.81Å; F591-L595 HydrophobicContact CE1-CD2 4.38Å; F591-L595 HydrophobicContact CE1-CG 4.25Å; F591-L595 HydrophobicContact CZ-CD2 4.31Å; F591-L595 HydrophobicContact CZ-CG 4.49Å; F591-L595 VanDerWaalsContact O-CG 3.28Å; F591-L595 WeakPolarHBondContact O-CG 3.5Å; F591-L595 PolarHBondContact O-N 2.98Å; F591-L595 VanDerWaalsContact O-N 3.08Å |
| 592 | M | 98.4 | Very high | 98.4 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 175.5 | -171.7 | 62.2 | -128.1 | 0 | 0 | 111.9 | L588 K589 K594 L595 E596 P606 T608 | L588-M592 PolarHBondContact O-N 3Å; L588-M592 VanDerWaalsContact O-N 3.08Å; K589-M592 PolarHBondContact O-N 2.94Å; M592-K594 VanDerWaalsContact C-N 3.28Å; M592-K594 PolarHBondContact O-N 3.24Å; M592-L595 HydrophobicContact CE-CB 4.49Å; M592-L595 WeakPolarHBondContact O-CB 3.2Å; M592-L595 PolarHBondContact O-N 3.47Å; M592-L595 VanDerWaalsContact O-N 3.09Å; M592-L595 HydrophobicContact SD-CD1 4.48Å; M592-E596 HydrophobicContact CE-CG 3.73Å; M592-E596 PolarHBondContact O-N 2.85Å; M592-P606 HydrophobicContact CE-CB 3.95Å; M592-P606 HydrophobicContact CE-CG 4.2Å; M592-P606 VanDerWaalsContact CE-O 3.27Å; M592-P606 WeakPolarHBondContact CE-O 3.5Å; M592-T608 HydrophobicContact CB-CG2 4.25Å; M592-T608 HydrophobicContact CG-CG2 4.41Å; M592-T608 HydrophobicContact SD-CG2 3.64Å |
| 593 | E | 98.3 | Very high | 98.3 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 44% | 0.444 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.7 | -41.7 | 177 | -73.4 | 172.3 | -178.6 | 0 | 0 | 111.8 | K589 L595 E596 H597 | K589-E593 WeakPolarHBondContact O-CG 3.31Å; K589-E593 PolarHBondContact O-N 2.99Å; E593-L595 PolarHBondContact O-N 2.89Å; E593-E596 WeakPolarHBondContact O-CB 3.49Å; E593-E596 PolarHBondContact O-N 3.47Å; E593-H597 PolarHBondContact O-CD2 2.82Å |
| 594 | K | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 177.6 | -68.2 | 172.1 | -179.4 | -68.1 | 0 | 112.8 | D487 L490 E491 A494 T590 F591 M592 E596 H597 Y598 | D487-K594 WeakPolarHBondContact O-CE 3.39Å; D487-K594 PolarHBondContact O-NZ 3.45Å; D487-K594 WeakPolarHBondContact OD1-CE 3.41Å; D487-K594 IonicContact OD1-NZ 3.7Å; D487-K594 PolarHBondContact OD1-NZ 2.82Å; D487-K594 IonicContact OD2-NZ 2.67Å; D487-K594 PolarHBondContact OD2-NZ 3.46Å; L490-K594 HydrophobicContact CB-CD 3.54Å; E491-K594 HydrophobicContact CB-CD 4.47Å; E491-K594 WeakPolarHBondContact OE2-CG 3.38Å; E491-K594 IonicContact OE2-NZ 3.43Å; A494-K594 HydrophobicContact CB-CB 3.88Å; T590-K594 HydrophobicContact CG2-CD 4.15Å; T590-K594 VanDerWaalsContact CG2-CE 3.43Å; T590-K594 WeakPolarHBondContact O-CD 3.43Å; T590-K594 WeakPolarHBondContact O-CG 3.29Å; T590-K594 PolarHBondContact O-N 3.34Å; F591-K594 PolarHBondContact O-N 2.9Å; M592-K594 VanDerWaalsContact C-N 3.28Å; M592-K594 PolarHBondContact O-N 3.24Å; K594-E596 VanDerWaalsContact C-N 3.26Å; K594-E596 PolarHBondContact O-N 3.06Å; K594-H597 WeakPolarHBondContact O-CB 3.29Å; K594-H597 PolarHBondContact O-N 2.97Å; K594-Y598 VanDerWaalsContact O-CD2 3.25Å; K594-Y598 WeakPolarHBondContact O-CD2 3.41Å; K594-Y598 WeakPolarHBondContact O-CE2 3.29Å |
| 595 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -35 | 175.4 | -70.4 | 164.6 | 0 | 0 | 0 | 111.8 | A494 V498 T531 F591 M592 E593 H597 Y598 | A494-L595 HydrophobicContact CB-CD2 3.97Å; A494-L595 HydrophobicContact CB-CG 4.33Å; V498-L595 HydrophobicContact CG2-CD2 3.8Å; T531-L595 HydrophobicContact CG2-CD1 4.32Å; T531-L595 HydrophobicContact CG2-CD2 3.92Å; T531-L595 WeakPolarHBondContact OG1-CD1 3.22Å; F591-L595 HydrophobicContact CD1-CD1 3.83Å; F591-L595 HydrophobicContact CD1-CG 4.41Å; F591-L595 HydrophobicContact CE1-CD1 3.81Å; F591-L595 HydrophobicContact CE1-CD2 4.38Å; F591-L595 HydrophobicContact CE1-CG 4.25Å; F591-L595 HydrophobicContact CZ-CD2 4.31Å; F591-L595 HydrophobicContact CZ-CG 4.49Å; F591-L595 VanDerWaalsContact O-CG 3.28Å; F591-L595 WeakPolarHBondContact O-CG 3.5Å; F591-L595 PolarHBondContact O-N 2.98Å; F591-L595 VanDerWaalsContact O-N 3.08Å; M592-L595 HydrophobicContact CE-CB 4.49Å; M592-L595 WeakPolarHBondContact O-CB 3.2Å; M592-L595 PolarHBondContact O-N 3.47Å; M592-L595 VanDerWaalsContact O-N 3.09Å; M592-L595 HydrophobicContact SD-CD1 4.48Å; E593-L595 PolarHBondContact O-N 2.89Å; L595-H597 PolarHBondContact O-N 2.9Å; L595-Y598 PolarHBondContact O-N 3.39Å |
| 596 | E | 97.9 | Very high | 98.2 | Very high | 117 Ų | 117 | 47.1 Ų | 47.1 | 55% | 0.547 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67 | -17.6 | 177.4 | -66.1 | 175.1 | 176.3 | 0 | 0 | 113.7 | M592 E593 K594 Y598 P606 | M592-E596 HydrophobicContact CE-CG 3.73Å; M592-E596 PolarHBondContact O-N 2.85Å; E593-E596 WeakPolarHBondContact O-CB 3.49Å; E593-E596 PolarHBondContact O-N 3.47Å; K594-E596 VanDerWaalsContact C-N 3.26Å; K594-E596 PolarHBondContact O-N 3.06Å; E596-Y598 PolarHBondContact O-N 3.47Å; E596-P606 HydrophobicContact CG-CG 3.89Å |
| 597 | H | 98.2 | Very high | 98.2 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 57% | 0.569 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21 | 175.9 | -61.9 | 166.6 | 0 | 0 | 0 | 113.4 | E491 E593 K594 L595 | E491-H597 IonicContact OE1-ND1 3.41Å; E491-H597 PolarHBondContact OE1-ND1 3.47Å; E491-H597 IonicContact OE2-CE1 3.4Å; E491-H597 PolarHBondContact OE2-CE1 2.97Å; E491-H597 IonicContact OE2-ND1 2.69Å; E491-H597 PolarHBondContact OE2-ND1 3.23Å; E593-H597 PolarHBondContact O-CD2 2.82Å; K594-H597 WeakPolarHBondContact O-CB 3.29Å; K594-H597 PolarHBondContact O-N 2.97Å; L595-H597 PolarHBondContact O-N 2.9Å |
| 598 | Y | 98.5 | Very high | 98.2 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 24% | 0.239 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -105.3 | 141 | -170.1 | -64.1 | -87 | 0 | 0 | 0 | 112.6 | E491 A494 V498 K594 L595 E596 | E491-Y598 PolarHBondContact O-OH 3.24Å; E491-Y598 VanDerWaalsContact O-OH 3.06Å; E491-Y598 VanDerWaalsContact OE1-CE2 3.26Å; E491-Y598 WeakPolarHBondContact OE1-CE2 3Å; E491-Y598 VanDerWaalsContact OE1-CZ 3.28Å; E491-Y598 PolarHBondContact OE1-OH 2.92Å; A494-Y598 HydrophobicContact CB-CD2 4.19Å; A494-Y598 HydrophobicContact CB-CE2 3.87Å; V498-Y598 HydrophobicContact CB-CG 4.48Å; K594-Y598 VanDerWaalsContact O-CD2 3.25Å; K594-Y598 WeakPolarHBondContact O-CD2 3.41Å; K594-Y598 WeakPolarHBondContact O-CE2 3.29Å; L595-Y598 PolarHBondContact O-N 3.39Å; E596-Y598 PolarHBondContact O-N 3.47Å |
| 599 | H | 98.2 | Very high | 98.2 | Very high | 127 Ų | 127 | 43.9 Ų | 43.9 | 59% | 0.588 | 21% | 0.207 | S | C | * | . | trans | -67.9 | 135.8 | 173.2 | 173.5 | 72.5 | 0 | 0 | 0 | 111.4 | V498 N502 N603 | V498-H599 WeakPolarHBondContact CG1-O 3.37Å; N502-H599 PolarHBondContact ND2-O 3.06Å; H599-N603 PolarHBondContact CE1-OD1 3.48Å | ||
| 600 | T | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | trans | -111.5 | 143 | 179.6 | 54 | 0 | 0 | 0 | 0 | 111.3 | V498 N502 F529 R602 N603 S604 P606 | V498-T600 HydrophobicContact CG1-CG2 4.15Å; N502-T600 WeakPolarHBondContact OD1-CA 3.4Å; F529-T600 HydrophobicContact CB-CG2 3.89Å; F529-T600 HydrophobicContact CD1-CG2 3.83Å; F529-T600 HydrophobicContact CD2-CG2 4.06Å; F529-T600 HydrophobicContact CE1-CG2 4.25Å; F529-T600 HydrophobicContact CE2-CG2 4.45Å; F529-T600 HydrophobicContact CG-CG2 3.68Å; F529-T600 HydrophobicContact CZ-CG2 4.5Å; T600-R602 PolarHBondContact O-N 3.22Å; T600-N603 WeakPolarHBondContact O-CA 3.14Å; T600-N603 PolarHBondContact O-N 3.49Å; T600-S604 WeakPolarHBondContact CB-O 3.33Å; T600-S604 WeakPolarHBondContact CB-OG 3.43Å; T600-S604 PolarHBondContact OG1-N 3.4Å; T600-S604 PolarHBondContact OG1-O 3.38Å; T600-S604 PolarHBondContact OG1-OG 3.31Å; T600-P606 HydrophobicContact CG2-CB 4.44Å | ||
| 601 | Y | 98.5 | Very high | 98.2 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 9% | 0.094 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -57 | 135.4 | -179 | 170 | -112.2 | 0 | 0 | 0 | 112.1 | F437 N502 H505 Y506 D509 N603 S604 | F437-Y601 HydrophobicContact CD2-CD1 4.3Å; F437-Y601 AromaticContact CE2-CD1 3.49Å; F437-Y601 HydrophobicContact CE2-CD1 3.49Å; F437-Y601 VanDerWaalsContact CE2-CD1 3.49Å; F437-Y601 AromaticContact CE2-CE1 3.93Å; F437-Y601 HydrophobicContact CE2-CE1 3.93Å; F437-Y601 AromaticContact CZ-CD1 3.76Å; F437-Y601 HydrophobicContact CZ-CD1 3.76Å; F437-Y601 AromaticContact CZ-CE1 3.69Å; F437-Y601 HydrophobicContact CZ-CE1 3.69Å; N502-Y601 WeakPolarHBondContact OD1-CB 3.5Å; N502-Y601 PolarHBondContact OD1-N 3.49Å; H505-Y601 HydrophobicContact CB-CD1 3.63Å; H505-Y601 HydrophobicContact CB-CE1 4.14Å; Y506-Y601 HydrophobicContact CD2-CD2 4.09Å; Y506-Y601 AromaticContact CD2-CE2 3.53Å; Y506-Y601 HydrophobicContact CD2-CE2 3.53Å; Y506-Y601 HydrophobicContact CE2-CE2 4.46Å; Y506-Y601 HydrophobicContact CG-CE2 4.19Å; D509-Y601 VanDerWaalsContact OD2-CE1 3.25Å; D509-Y601 WeakPolarHBondContact OD2-CE1 3.42Å; D509-Y601 PolarHBondContact OD2-OH 3.06Å; Y601-N603 PolarHBondContact O-N 3.35Å; Y601-S604 PolarHBondContact O-N 2.93Å; Y601-S604 PolarHBondContact O-OG 2.7Å |
| 602 | R | 97 | Very high | 98 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | 55.2 | 28.9 | -172.2 | -63.8 | 179.8 | 95.4 | 156.8 | 4.9 | 114 | E229 F437 D509 T600 S604 | E229-R602 IonicContact OE1-CZ 3.24Å; E229-R602 IonicContact OE1-NH1 2.76Å; E229-R602 PolarHBondContact OE1-NH1 2.86Å; E229-R602 IonicContact OE1-NH2 3.15Å; E229-R602 PolarHBondContact OE1-NH2 3.12Å; E229-R602 VanDerWaalsContact OE1-NH2 3.15Å; E229-R602 IonicContact OE2-CZ 3.67Å; E229-R602 IonicContact OE2-NH1 2.65Å; E229-R602 IonicContact OE2-NH2 2.86Å; E229-R602 PolarHBondContact OE2-NH2 3Å; F437-R602 HydrophobicContact CE2-CB 4.43Å; D509-R602 WeakPolarHBondContact OD2-CD 3.34Å; D509-R602 IonicContact OD2-CZ 3.14Å; D509-R602 IonicContact OD2-NE 2.7Å; D509-R602 IonicContact OD2-NH1 3.04Å; D509-R602 PolarHBondContact OD2-NH1 3.46Å; T600-R602 PolarHBondContact O-N 3.22Å; R602-S604 PolarHBondContact O-N 3.21Å |
| 603 | N | 96.6 | Very high | 97.7 | Very high | 114 Ų | 114 | 40.3 Ų | 40.3 | 61% | 0.61 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | 53.9 | 35.6 | 178.9 | -53.7 | -57.8 | 0 | 0 | 0 | 112.5 | H599 T600 Y601 | H599-N603 PolarHBondContact CE1-OD1 3.48Å; T600-N603 WeakPolarHBondContact O-CA 3.14Å; T600-N603 PolarHBondContact O-N 3.49Å; Y601-N603 PolarHBondContact O-N 3.35Å |
| 604 | S | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 142.9 | 179.7 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | R527 F529 T600 Y601 R602 P606 | R527-S604 CarbonylContact O-C 3.14Å; R527-S604 WeakPolarHBondContact O-CA 3.08Å; R527-S604 VanDerWaalsContact O-CB 3.29Å; R527-S604 WeakPolarHBondContact O-CB 3.42Å; F529-S604 WeakPolarHBondContact CB-OG 3.49Å; F529-S604 WeakPolarHBondContact CD2-OG 3.48Å; T600-S604 WeakPolarHBondContact CB-O 3.33Å; T600-S604 WeakPolarHBondContact CB-OG 3.43Å; T600-S604 PolarHBondContact OG1-N 3.4Å; T600-S604 PolarHBondContact OG1-O 3.38Å; T600-S604 PolarHBondContact OG1-OG 3.31Å; Y601-S604 PolarHBondContact O-N 2.93Å; Y601-S604 PolarHBondContact O-OG 2.7Å; R602-S604 PolarHBondContact O-N 3.21Å; S604-P606 WeakPolarHBondContact O-CD 3.33Å |
| 605 | E | 97.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 35.6 Ų | 35.6 | 38% | 0.379 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 119.4 | 179.8 | -179.2 | 177.7 | -170.4 | 0 | 0 | 110.8 | K526 R527 T528 F529 T607 | K526-E605 WeakPolarHBondContact CE-OE2 3.45Å; K526-E605 IonicContact NZ-OE2 2.76Å; K526-E605 PolarHBondContact NZ-OE2 3.36Å; R527-E605 PolarHBondContact O-N 2.87Å; T528-E605 CarbonylContact C-O 3.52Å; T528-E605 WeakPolarHBondContact CA-O 3.46Å; T528-E605 WeakPolarHBondContact CB-O 3.31Å; T528-E605 HydrophobicContact CG2-CB 4.43Å; F529-E605 PolarHBondContact N-O 2.82Å; E605-T607 PolarHBondContact O-N 2.84Å |
| 606 | P | 98.3 | Very high | 96.9 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 20% | 0.195 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 134.4 | 177.1 | 28.4 | -34.4 | 0 | 0 | 0 | 110.3 | M592 E596 T600 S604 | M592-P606 HydrophobicContact CE-CB 3.95Å; M592-P606 HydrophobicContact CE-CG 4.2Å; M592-P606 VanDerWaalsContact CE-O 3.27Å; M592-P606 WeakPolarHBondContact CE-O 3.5Å; E596-P606 HydrophobicContact CG-CG 3.89Å; T600-P606 HydrophobicContact CG2-CB 4.44Å; S604-P606 WeakPolarHBondContact O-CD 3.33Å |
| 607 | T | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 162.2 | 171.1 | 59 | 0 | 0 | 0 | 0 | 108.9 | T528 F529 A530 T531 E605 L667 | T528-T607 HydrophobicContact CG2-CG2 3.92Å; F529-T607 PolarHBondContact O-N 3.5Å; F529-T607 VanDerWaalsContact O-O 3.06Å; A530-T607 WeakPolarHBondContact CA-OG1 3.38Å; T531-T607 PolarHBondContact N-O 2.72Å; T531-T607 PolarHBondContact OG1-O 2.83Å; E605-T607 PolarHBondContact O-N 2.84Å; T607-L667 HydrophobicContact CG2-CB 4.01Å |
| 608 | T | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 160 | 173.2 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | T531 I533 L588 M592 Y665 A666 D668 | T531-T608 CarbonylContact O-C 3.57Å; T531-T608 WeakPolarHBondContact O-CA 3.42Å; T531-T608 WeakPolarHBondContact OG1-CB 3.49Å; T531-T608 PolarHBondContact OG1-OG1 3.34Å; I533-T608 HydrophobicContact CD1-CG2 4.46Å; L588-T608 HydrophobicContact CD1-CG2 3.8Å; M592-T608 HydrophobicContact CB-CG2 4.25Å; M592-T608 HydrophobicContact CG-CG2 4.41Å; M592-T608 HydrophobicContact SD-CG2 3.64Å; T608-Y665 WeakPolarHBondContact CG2-O 3.27Å; T608-A666 CarbonylContact O-C 3.57Å; T608-A666 WeakPolarHBondContact O-CA 3.26Å; T608-D668 VanDerWaalsContact O-CB 3.27Å; T608-D668 WeakPolarHBondContact O-CB 3.41Å; T608-D668 PolarHBondContact O-N 3.24Å |
| 609 | S | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.6 | 172.8 | 51 | 0 | 0 | 0 | 0 | 111.2 | T531 G532 I533 D668 G669 | T531-S609 PolarHBondContact O-N 3.27Å; T531-S609 PolarHBondContact O-OG 3.15Å; G532-S609 CarbonylContact C-O 3.48Å; G532-S609 VanDerWaalsContact CA-O 3.31Å; G532-S609 WeakPolarHBondContact CA-O 3.18Å; I533-S609 PolarHBondContact N-O 3.32Å; S609-D668 WeakPolarHBondContact CB-OD2 3.33Å; S609-D668 PolarHBondContact OG-OD2 2.77Å; S609-D668 VanDerWaalsContact OG-OD2 3.07Å; S609-G669 CarbonylContact C-O 3.59Å; S609-G669 WeakPolarHBondContact CA-O 3.3Å; S609-G669 WeakPolarHBondContact CB-O 3.47Å |
| 610 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 79.3 | 165.1 | -46.6 | 176.4 | 0 | 0 | 0 | 107.3 | I533 F536 L588 G639 A640 L661 G669 I670 S671 | I533-I610 HydrophobicContact CD1-CG1 4.45Å; F536-I610 HydrophobicContact CB-CG2 3.68Å; F536-I610 HydrophobicContact CD1-CD1 4.23Å; F536-I610 HydrophobicContact CD1-CG2 4.11Å; F536-I610 HydrophobicContact CD2-CD1 4.01Å; F536-I610 HydrophobicContact CD2-CG1 4.48Å; F536-I610 HydrophobicContact CD2-CG2 4.25Å; F536-I610 HydrophobicContact CE1-CD1 4Å; F536-I610 HydrophobicContact CE2-CD1 3.76Å; F536-I610 HydrophobicContact CG-CD1 4.23Å; F536-I610 HydrophobicContact CG-CG2 3.76Å; F536-I610 HydrophobicContact CZ-CD1 3.75Å; L588-I610 HydrophobicContact CD1-CD1 4.26Å; L588-I610 HydrophobicContact CD1-CG1 4.29Å; L588-I610 HydrophobicContact CD2-CD1 4.29Å; I610-G639 WeakPolarHBondContact CG2-O 3.49Å; I610-G639 WeakPolarHBondContact O-CA 3.42Å; I610-A640 HydrophobicContact CB-CB 3.96Å; I610-A640 HydrophobicContact CD1-CB 4.38Å; I610-A640 HydrophobicContact CG2-CB 3.62Å; I610-L661 HydrophobicContact CD1-CD1 3.93Å; I610-G669 PolarHBondContact N-O 3.35Å; I610-I670 HydrophobicContact CD1-CG1 4.45Å; I610-I670 HydrophobicContact CD1-CG2 4.37Å; I610-S671 PolarHBondContact O-N 3.28Å; I610-S671 VanDerWaalsContact O-N 3.08Å |
| 611 | L | 97.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | trans | -142.8 | 126.5 | -170.8 | 178.8 | 68.2 | 0 | 0 | 0 | 112.2 | C425 V426 R441 I613 S737 | C425-L611 HydrophobicContact CB-CD1 3.93Å; C425-L611 HydrophobicContact CB-CD2 4Å; V426-L611 HydrophobicContact CG2-CD1 4.38Å; V426-L611 HydrophobicContact CG2-CD2 4.17Å; R441-L611 PolarHBondContact NE-O 2.88Å; L611-I613 HydrophobicContact CD1-CD1 4.09Å; L611-I613 HydrophobicContact CG-CD1 4.45Å; L611-S737 WeakPolarHBondContact CD1-O 3.19Å | ||
| 612 | T | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -116.5 | -23.5 | -175 | 61.1 | 0 | 0 | 0 | 0 | 115.3 | R441 A534 T614 S615 N616 P638 G639 S737 | R441-T612 PolarHBondContact NE-O 3.21Å; R441-T612 PolarHBondContact NH1-O 3.48Å; R441-T612 PolarHBondContact NH2-O 3.39Å; A534-T612 HydrophobicContact CB-CG2 3.86Å; T612-T614 PolarHBondContact O-N 3.32Å; T612-T614 VanDerWaalsContact O-N 3.11Å; T612-S615 WeakPolarHBondContact O-CB 3.47Å; T612-S615 PolarHBondContact O-N 2.72Å; T612-S615 PolarHBondContact O-OG 3.03Å; T612-N616 HydrophobicContact CG2-CB 4.28Å; T612-P638 VanDerWaalsContact OG1-CA 3.24Å; T612-P638 WeakPolarHBondContact OG1-CA 3.4Å; T612-G639 PolarHBondContact OG1-N 3.36Å; T612-S737 PolarHBondContact OG1-OG 3.13Å | ||
| 613 | I | 91.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | -121.4 | -164.1 | -51.3 | -63 | 0 | 0 | 0 | 107.8 | F334 W340 C425 L611 N616 S737 Y739 | F334-I613 HydrophobicContact CD1-CB 4.24Å; F334-I613 HydrophobicContact CD1-CG1 4.32Å; F334-I613 HydrophobicContact CD1-CG2 3.8Å; F334-I613 HydrophobicContact CE1-CG1 4.4Å; W340-I613 HydrophobicContact CZ2-CD1 3.89Å; W340-I613 HydrophobicContact CZ2-CG1 4.23Å; W340-I613 HydrophobicContact CZ2-CG2 4.03Å; C425-I613 WeakPolarHBondContact SG-CD1 3.11Å; L611-I613 HydrophobicContact CD1-CD1 4.09Å; L611-I613 HydrophobicContact CG-CD1 4.45Å; I613-N616 PolarHBondContact O-OD1 3.47Å; I613-N616 VanDerWaalsContact O-OD1 3.06Å; I613-S737 WeakPolarHBondContact CA-OG 3.41Å; I613-S737 WeakPolarHBondContact CD1-O 3.38Å; I613-S737 PolarHBondContact N-OG 3.38Å; I613-S737 VanDerWaalsContact N-OG 3.14Å; I613-S737 PolarHBondContact O-OG 2.92Å; I613-Y739 HydrophobicContact CB-CE1 4.31Å; I613-Y739 HydrophobicContact CD1-CD1 3.76Å; I613-Y739 HydrophobicContact CD1-CE1 3.85Å; I613-Y739 HydrophobicContact CG2-CD1 4.39Å; I613-Y739 HydrophobicContact CG2-CE1 3.44Å; I613-Y739 VanDerWaalsContact CG2-CE1 3.44Å |
| 614 | T | 90.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 3% | 0.031 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 2.9 | 178.2 | -30.4 | 0 | 0 | 0 | 0 | 112.3 | E332 L333 S335 T612 N616 V617 V618 Q750 | E332-T614 WeakPolarHBondContact O-CB 3.2Å; E332-T614 WeakPolarHBondContact O-CG2 3.08Å; L333-T614 WeakPolarHBondContact O-CB 3.44Å; L333-T614 PolarHBondContact O-N 3.07Å; L333-T614 PolarHBondContact O-OG1 3.06Å; S335-T614 WeakPolarHBondContact CB-OG1 3.4Å; S335-T614 PolarHBondContact N-OG1 3.34Å; S335-T614 WeakPolarHBondContact OG-CG2 3.19Å; S335-T614 PolarHBondContact OG-OG1 2.84Å; T612-T614 PolarHBondContact O-N 3.32Å; T612-T614 VanDerWaalsContact O-N 3.11Å; T614-N616 WeakPolarHBondContact CA-OD1 3.5Å; T614-N616 PolarHBondContact O-N 3.03Å; T614-N616 VanDerWaalsContact O-N 3.14Å; T614-V617 HydrophobicContact CG2-CB 4.32Å; T614-V617 HydrophobicContact CG2-CG2 4.14Å; T614-V617 PolarHBondContact O-N 2.79Å; T614-V618 PolarHBondContact O-N 2.99Å; T614-Q750 HydrophobicContact CG2-CG 4.27Å |
| 615 | S | 92.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.4 | -14.5 | 173.6 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | L333 R441 T612 V617 V618 Y619 | L333-S615 WeakPolarHBondContact CD2-OG 3.41Å; R441-S615 VanDerWaalsContact CD-CB 3.5Å; R441-S615 WeakPolarHBondContact CD-OG 3.46Å; R441-S615 PolarHBondContact NH1-OG 2.9Å; T612-S615 WeakPolarHBondContact O-CB 3.47Å; T612-S615 PolarHBondContact O-N 2.72Å; T612-S615 PolarHBondContact O-OG 3.03Å; S615-V617 VanDerWaalsContact C-N 3.27Å; S615-V617 PolarHBondContact O-N 2.88Å; S615-V618 PolarHBondContact O-N 2.68Å; S615-Y619 WeakPolarHBondContact O-CB 3.46Å; S615-Y619 VanDerWaalsContact O-CD2 3.31Å; S615-Y619 WeakPolarHBondContact O-CD2 3.4Å; S615-Y619 PolarHBondContact O-N 3.47Å |
| 616 | N | 94.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60 | -40 | 170.2 | 76.2 | -61.6 | 0 | 0 | 0 | 111 | T612 I613 T614 G620 L636 Y644 D753 | T612-N616 HydrophobicContact CG2-CB 4.28Å; I613-N616 PolarHBondContact O-OD1 3.47Å; I613-N616 VanDerWaalsContact O-OD1 3.06Å; T614-N616 WeakPolarHBondContact CA-OD1 3.5Å; T614-N616 PolarHBondContact O-N 3.03Å; T614-N616 VanDerWaalsContact O-N 3.14Å; N616-G620 WeakPolarHBondContact O-CA 3.46Å; N616-G620 PolarHBondContact O-N 3Å; N616-L636 HydrophobicContact CB-CB 4.33Å; N616-L636 WeakPolarHBondContact CB-O 3.44Å; N616-L636 PolarHBondContact ND2-O 2.96Å; N616-L636 PolarHBondContact O-N 3.32Å; N616-Y644 PolarHBondContact ND2-OH 2.97Å; N616-D753 PolarHBondContact ND2-OD2 3.47Å |
| 617 | V | 93.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 7.4 Ų | 7.4 | 5% | 0.048 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -73.2 | -49.4 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | T614 S615 Y619 G620 K621 P635 D753 | T614-V617 HydrophobicContact CG2-CB 4.32Å; T614-V617 HydrophobicContact CG2-CG2 4.14Å; T614-V617 PolarHBondContact O-N 2.79Å; S615-V617 VanDerWaalsContact C-N 3.27Å; S615-V617 PolarHBondContact O-N 2.88Å; V617-Y619 PolarHBondContact O-N 2.94Å; V617-G620 PolarHBondContact O-N 2.9Å; V617-K621 WeakPolarHBondContact O-CG 3.13Å; V617-K621 PolarHBondContact O-N 2.91Å; V617-P635 HydrophobicContact CG2-CB 4.36Å; V617-D753 HydrophobicContact CG2-CB 4.18Å |
| 618 | V | 94.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 7.8 Ų | 7.8 | 12% | 0.115 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | -176.8 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | E332 L333 T614 S615 A622 | E332-V618 HydrophobicContact CB-CG2 4.17Å; E332-V618 WeakPolarHBondContact O-CG2 3.39Å; L333-V618 HydrophobicContact CD2-CB 3.99Å; L333-V618 HydrophobicContact CD2-CG1 3.94Å; L333-V618 HydrophobicContact CD2-CG2 3.91Å; L333-V618 HydrophobicContact CG-CG2 4.3Å; T614-V618 PolarHBondContact O-N 2.99Å; S615-V618 PolarHBondContact O-N 2.68Å; V618-A622 PolarHBondContact O-N 2.96Å |
| 619 | Y | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -71 | -39.4 | 174.1 | -74.4 | -46.7 | 0 | 0 | 0 | 112.1 | K174 T177 R441 N443 A534 S615 V617 K621 A622 T623 | K174-Y619 HydrophobicContact CB-CD1 4.02Å; K174-Y619 HydrophobicContact CB-CE1 4.14Å; K174-Y619 WeakPolarHBondContact O-CD1 3.21Å; K174-Y619 WeakPolarHBondContact O-CE1 3.33Å; T177-Y619 HydrophobicContact CG2-CD1 3.92Å; T177-Y619 HydrophobicContact CG2-CE1 3.18Å; T177-Y619 PolarHBondContact N-OH 3.19Å; T177-Y619 PolarHBondContact O-OH 2.87Å; R441-Y619 HydrophobicContact CG-CE2 3.92Å; R441-Y619 PolarHBondContact O-OH 3.41Å; N443-Y619 HydrophobicContact CB-CD1 3.65Å; N443-Y619 HydrophobicContact CB-CD2 4.09Å; N443-Y619 HydrophobicContact CB-CE1 3.7Å; N443-Y619 HydrophobicContact CB-CE2 4.14Å; N443-Y619 HydrophobicContact CB-CG 3.85Å; N443-Y619 WeakPolarHBondContact ND2-CD1 3.42Å; A534-Y619 HydrophobicContact CB-CD2 3.58Å; A534-Y619 HydrophobicContact CB-CE2 3.9Å; S615-Y619 WeakPolarHBondContact O-CB 3.46Å; S615-Y619 VanDerWaalsContact O-CD2 3.31Å; S615-Y619 WeakPolarHBondContact O-CD2 3.4Å; S615-Y619 PolarHBondContact O-N 3.47Å; V617-Y619 PolarHBondContact O-N 2.94Å; Y619-K621 VanDerWaalsContact C-N 3.31Å; Y619-K621 PolarHBondContact O-N 3.39Å; Y619-A622 CarbonylContact O-C 3.56Å; Y619-A622 WeakPolarHBondContact O-CA 3.12Å; Y619-A622 PolarHBondContact O-N 2.92Å; Y619-T623 WeakPolarHBondContact O-CB 3.48Å; Y619-T623 PolarHBondContact O-N 3.09Å; Y619-T623 PolarHBondContact O-OG1 3.12Å |
| 620 | G | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -53.3 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N616 V617 A622 T623 G633 E634 | N616-G620 WeakPolarHBondContact O-CA 3.46Å; N616-G620 PolarHBondContact O-N 3Å; V617-G620 PolarHBondContact O-N 2.9Å; G620-A622 PolarHBondContact O-N 3.33Å; G620-T623 PolarHBondContact O-N 2.99Å; G620-T623 VanDerWaalsContact O-O 3.1Å; G620-G633 CarbonylContact O-C 3.59Å; G620-G633 VanDerWaalsContact O-CA 3.31Å; G620-G633 WeakPolarHBondContact O-CA 3.31Å; G620-E634 CarbonylContact C-O 3.48Å; G620-E634 WeakPolarHBondContact CA-O 3.27Å |
| 621 | K | 95.7 | Very high | 96.2 | Very high | 81 Ų | 81 | 14.1 Ų | 14.1 | 35% | 0.352 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -56.2 | -36.5 | 172.5 | -74.8 | 179.3 | -179 | -175.3 | 0 | 113.6 | K459 V617 Y619 E749 | K459-K621 PolarHBondContact NZ-O 3.22Å; V617-K621 WeakPolarHBondContact O-CG 3.13Å; V617-K621 PolarHBondContact O-N 2.91Å; Y619-K621 VanDerWaalsContact C-N 3.31Å; Y619-K621 PolarHBondContact O-N 3.39Å; K621-E749 VanDerWaalsContact CE-CD 3.42Å; K621-E749 WeakPolarHBondContact CE-OE1 3.5Å; K621-E749 IonicContact NZ-OE1 3.27Å; K621-E749 PolarHBondContact NZ-OE1 3.35Å; K621-E749 IonicContact NZ-OE2 2.92Å; K621-E749 PolarHBondContact NZ-OE2 3.09Å |
| 622 | A | 97.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 16.8 Ų | 16.8 | 13% | 0.132 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -88.3 | -11.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K174 K446 K459 V618 Y619 G620 | K174-A622 HydrophobicContact CB-CB 3.47Å; K174-A622 VanDerWaalsContact CB-CB 3.47Å; K174-A622 HydrophobicContact CG-CB 3.65Å; K446-A622 WeakPolarHBondContact CE-O 3.47Å; K446-A622 PolarHBondContact NZ-O 3.25Å; K459-A622 WeakPolarHBondContact CD-O 3.32Å; V618-A622 PolarHBondContact O-N 2.96Å; Y619-A622 CarbonylContact O-C 3.56Å; Y619-A622 WeakPolarHBondContact O-CA 3.12Å; Y619-A622 PolarHBondContact O-N 2.92Å; G620-A622 PolarHBondContact O-N 3.33Å |
| 623 | T | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -102.5 | 133.2 | -178.6 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | N443 A445 K446 L449 E458 Y619 G620 M626 R630 G633 | N443-T623 PolarHBondContact ND2-OG1 3.47Å; A445-T623 HydrophobicContact CB-CG2 4.35Å; K446-T623 HydrophobicContact CB-CG2 4.4Å; L449-T623 HydrophobicContact CD1-CG2 3.72Å; E458-T623 WeakPolarHBondContact OE1-CA 3.2Å; Y619-T623 WeakPolarHBondContact O-CB 3.48Å; Y619-T623 PolarHBondContact O-N 3.09Å; Y619-T623 PolarHBondContact O-OG1 3.12Å; G620-T623 PolarHBondContact O-N 2.99Å; G620-T623 VanDerWaalsContact O-O 3.1Å; T623-M626 HydrophobicContact CG2-CG 4.41Å; T623-M626 HydrophobicContact CG2-SD 3.9Å; T623-R630 PolarHBondContact O-NH2 3.42Å; T623-G633 PolarHBondContact O-N 3.02Å; T623-G633 VanDerWaalsContact O-N 3.16Å |
| 624 | G | 98.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 5% | 0.052 | 14% | 0.136 | C | C | . | . | trans | -67.6 | -175.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E458 R630 | E458-G624 PolarHBondContact OE1-N 2.9Å; G624-R630 PolarHBondContact O-NH2 3.04Å | ||
| 625 | T | 98.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | trans | -60.1 | 139.7 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | D563 F564 R630 K631 A632 | D563-T625 WeakPolarHBondContact OD1-CG2 3.3Å; F564-T625 HydrophobicContact CD2-CG2 4.25Å; F564-T625 VanDerWaalsContact CE2-O 3.24Å; F564-T625 WeakPolarHBondContact CE2-O 3.4Å; T625-R630 CarbonylContact C-O 3.51Å; T625-R630 VanDerWaalsContact CA-O 3.28Å; T625-R630 WeakPolarHBondContact CA-O 3.41Å; T625-R630 WeakPolarHBondContact CG2-O 3.46Å; T625-K631 HydrophobicContact CG2-CD 4Å; T625-A632 PolarHBondContact OG1-N 3.34Å; T625-A632 VanDerWaalsContact OG1-N 3.15Å | ||
| 626 | M | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -105.9 | 156.8 | -177.5 | -68.9 | -71.3 | -66.9 | 0 | 0 | 111.5 | A445 L448 L449 T623 D628 G629 R630 | A445-M626 HydrophobicContact CB-CE 3.69Å; A445-M626 HydrophobicContact CB-SD 4Å; A445-M626 WeakPolarHBondContact O-CE 3.25Å; L448-M626 HydrophobicContact CB-CE 4.41Å; L448-M626 HydrophobicContact CD2-CE 3.99Å; L449-M626 HydrophobicContact CD1-SD 3.9Å; L449-M626 HydrophobicContact CD2-SD 3.73Å; L449-M626 HydrophobicContact CG-SD 3.69Å; T623-M626 HydrophobicContact CG2-CG 4.41Å; T623-M626 HydrophobicContact CG2-SD 3.9Å; M626-D628 WeakPolarHBondContact CB-OD1 3.22Å; M626-D628 PolarHBondContact O-N 3.41Å; M626-D628 VanDerWaalsContact O-N 3.16Å; M626-G629 PolarHBondContact O-N 3.4Å; M626-R630 HydrophobicContact CB-CB 4.26Å; M626-R630 PolarHBondContact N-O 3.15Å | ||
| 627 | P | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.9 | 176.9 | -27 | 34.4 | 0 | 0 | 0 | 115.8 | L448 I452 S542 A545 I546 V551 F564 I566 G629 | L448-P627 HydrophobicContact CD2-CG 4.48Å; I452-P627 HydrophobicContact CD1-CG 4.07Å; S542-P627 WeakPolarHBondContact OG-CD 3.44Å; A545-P627 WeakPolarHBondContact CB-O 3.34Å; I546-P627 HydrophobicContact CD1-CB 3.88Å; I546-P627 HydrophobicContact CD1-CG 4.06Å; I546-P627 HydrophobicContact CG1-CB 4.04Å; V551-P627 HydrophobicContact CG1-CB 4.1Å; F564-P627 HydrophobicContact CD1-CG 4.5Å; F564-P627 HydrophobicContact CD2-CG 4.37Å; F564-P627 HydrophobicContact CE1-CG 4.19Å; F564-P627 HydrophobicContact CE2-CG 4.06Å; F564-P627 HydrophobicContact CZ-CG 3.96Å; I566-P627 WeakPolarHBondContact CD1-O 3.23Å; P627-G629 PolarHBondContact O-N 3.04Å |
| 628 | D | 98.3 | Very high | 97 | Very high | 12 Ų | 12 | 23.8 Ų | 23.8 | 6% | 0.064 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.1 | 173.6 | 71.1 | -15.9 | 0 | 0 | 0 | 114.1 | H538 D541 S542 F570 M626 R630 | H538-D628 IonicContact CE1-OD2 2.83Å; H538-D628 IonicContact CG-OD2 2.79Å; H538-D628 IonicContact ND1-OD2 3.63Å; H538-D628 PolarHBondContact ND1-OD2 2.83Å; D541-D628 HydrophobicContact CB-CB 3.69Å; S542-D628 PolarHBondContact OG-N 3.41Å; F570-D628 HydrophobicContact CZ-CB 4.48Å; M626-D628 WeakPolarHBondContact CB-OD1 3.22Å; M626-D628 PolarHBondContact O-N 3.41Å; M626-D628 VanDerWaalsContact O-N 3.16Å; D628-R630 WeakPolarHBondContact OD1-CB 3.38Å; D628-R630 PolarHBondContact OD1-N 3.39Å |
| 629 | G | 97.5 | Very high | 97.1 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 31% | 0.309 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 96.9 | -5.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | M626 P627 K631 | M626-G629 PolarHBondContact O-N 3.4Å; P627-G629 PolarHBondContact O-N 3.04Å; G629-K631 PolarHBondContact O-N 2.99Å |
| 630 | R | 97.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 128.2 | 174 | -173.5 | -154.6 | 76.9 | 85.7 | -6.8 | 110 | H538 T623 G624 T625 M626 D628 E634 | H538-R630 VanDerWaalsContact CE1-CD 3.41Å; H538-R630 WeakPolarHBondContact CE1-CD 3.37Å; T623-R630 PolarHBondContact O-NH2 3.42Å; G624-R630 PolarHBondContact O-NH2 3.04Å; T625-R630 CarbonylContact C-O 3.51Å; T625-R630 VanDerWaalsContact CA-O 3.28Å; T625-R630 WeakPolarHBondContact CA-O 3.41Å; T625-R630 WeakPolarHBondContact CG2-O 3.46Å; M626-R630 HydrophobicContact CB-CB 4.26Å; M626-R630 PolarHBondContact N-O 3.15Å; D628-R630 WeakPolarHBondContact OD1-CB 3.38Å; D628-R630 PolarHBondContact OD1-N 3.39Å; R630-E634 HydrophobicContact CG-CB 4.3Å; R630-E634 VanDerWaalsContact NH1-C 3.34Å; R630-E634 PolarHBondContact NH1-O 2.91Å |
| 631 | K | 97.7 | Very high | 97.1 | Very high | 91 Ų | 91 | 23.3 Ų | 23.3 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -84 | 152.9 | -173.9 | -62.7 | -53.7 | -170.1 | -179.2 | 0 | 112.8 | D563 T625 G629 G633 E634 | D563-K631 IonicContact OD1-NZ 3.19Å; D563-K631 PolarHBondContact OD1-NZ 3.35Å; D563-K631 IonicContact OD2-NZ 3.82Å; T625-K631 HydrophobicContact CG2-CD 4Å; G629-K631 PolarHBondContact O-N 2.99Å; K631-G633 PolarHBondContact O-N 3.34Å; K631-E634 HydrophobicContact CB-CG 4.22Å; K631-E634 PolarHBondContact N-OE2 3.45Å; K631-E634 WeakPolarHBondContact O-CB 3.24Å; K631-E634 PolarHBondContact O-N 3.4Å |
| 632 | A | 97.7 | Very high | 97.2 | Very high | 59 Ų | 59 | 19.7 Ų | 19.7 | 49% | 0.488 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 128.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T625 E634 | T625-A632 PolarHBondContact OG1-N 3.34Å; T625-A632 VanDerWaalsContact OG1-N 3.15Å; A632-E634 VanDerWaalsContact C-N 3.32Å; A632-E634 PolarHBondContact O-N 3.46Å |
| 633 | G | 95.7 | Very high | 97.2 | Very high | 31 Ų | 31 | 19.1 Ų | 19.1 | 32% | 0.32 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -13.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G620 T623 K631 | G620-G633 CarbonylContact O-C 3.59Å; G620-G633 VanDerWaalsContact O-CA 3.31Å; G620-G633 WeakPolarHBondContact O-CA 3.31Å; T623-G633 PolarHBondContact O-N 3.02Å; T623-G633 VanDerWaalsContact O-N 3.16Å; K631-G633 PolarHBondContact O-N 3.34Å |
| 634 | E | 95.7 | Very high | 97 | Very high | 93 Ų | 93 | 21.7 Ų | 21.7 | 44% | 0.435 | 13% | 0.131 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 155 | 173.1 | -67.3 | 178.6 | 160.5 | 0 | 0 | 110.6 | G620 R630 K631 A632 | G620-E634 CarbonylContact C-O 3.48Å; G620-E634 WeakPolarHBondContact CA-O 3.27Å; R630-E634 HydrophobicContact CG-CB 4.3Å; R630-E634 VanDerWaalsContact NH1-C 3.34Å; R630-E634 PolarHBondContact NH1-O 2.91Å; K631-E634 HydrophobicContact CB-CG 4.22Å; K631-E634 PolarHBondContact N-OE2 3.45Å; K631-E634 WeakPolarHBondContact O-CB 3.24Å; K631-E634 PolarHBondContact O-N 3.4Å; A632-E634 VanDerWaalsContact C-N 3.32Å; A632-E634 PolarHBondContact O-N 3.46Å |
| 635 | P | 95.2 | Very high | 96.7 | Very high | 36 Ų | 36 | 23.6 Ų | 23.6 | 23% | 0.234 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 147.9 | 172.4 | -25.8 | 36.1 | 0 | 0 | 0 | 112.5 | V617 Y644 D753 | V617-P635 HydrophobicContact CG2-CB 4.36Å; P635-Y644 HydrophobicContact CB-CE2 4.26Å; P635-D753 HydrophobicContact CG-CB 4.48Å |
| 636 | L | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -78.9 | 160.4 | 159.8 | -60.1 | 172.4 | 0 | 0 | 0 | 109.2 | A445 H538 N616 Y644 | A445-L636 HydrophobicContact CB-CD1 4.27Å; A445-L636 HydrophobicContact CB-CD2 3.93Å; H538-L636 HydrophobicContact CB-CD2 4.36Å; H538-L636 WeakPolarHBondContact NE2-CA 3.35Å; N616-L636 HydrophobicContact CB-CB 4.33Å; N616-L636 WeakPolarHBondContact CB-O 3.44Å; N616-L636 PolarHBondContact ND2-O 2.96Å; N616-L636 PolarHBondContact O-N 3.32Å; L636-Y644 WeakPolarHBondContact O-CE2 3.32Å; L636-Y644 PolarHBondContact O-OH 2.91Å; L636-Y644 VanDerWaalsContact O-OH 3.11Å |
| 637 | A | 95.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 145.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | S537 H538 N641 P642 Y644 | S537-A637 VanDerWaalsContact OG-CB 3.22Å; S537-A637 WeakPolarHBondContact OG-CB 3.49Å; H538-A637 PolarHBondContact CD2-N 2.96Å; H538-A637 PolarHBondContact NE2-N 2.84Å; H538-A637 VanDerWaalsContact NE2-N 3.19Å; A637-N641 HydrophobicContact CB-CB 4.39Å; A637-P642 WeakPolarHBondContact CB-O 3.44Å; A637-Y644 HydrophobicContact CB-CE2 4.34Å |
| 638 | P | 95 | Very high | 96.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -75.1 | 134.5 | 177 | 30.9 | -34.8 | 0 | 0 | 0 | 111.7 | T612 A640 N641 | T612-P638 VanDerWaalsContact OG1-CA 3.24Å; T612-P638 WeakPolarHBondContact OG1-CA 3.4Å; P638-A640 PolarHBondContact O-N 3.23Å; P638-N641 HydrophobicContact CG-CB 4.08Å; P638-N641 WeakPolarHBondContact O-CB 3.26Å; P638-N641 VanDerWaalsContact O-CG 3.31Å; P638-N641 PolarHBondContact O-N 3.25Å; P638-N641 PolarHBondContact O-OD1 3.39Å; P638-N641 VanDerWaalsContact O-OD1 3.06Å |
| 639 | G | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | I610 T612 N641 | I610-G639 WeakPolarHBondContact CG2-O 3.49Å; I610-G639 WeakPolarHBondContact O-CA 3.42Å; T612-G639 PolarHBondContact OG1-N 3.36Å; G639-N641 VanDerWaalsContact C-N 3.33Å |
| 640 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 16.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y573 I610 P638 L658 L661 I670 S671 | Y573-A640 WeakPolarHBondContact CE1-O 3.43Å; I610-A640 HydrophobicContact CB-CB 3.96Å; I610-A640 HydrophobicContact CD1-CB 4.38Å; I610-A640 HydrophobicContact CG2-CB 3.62Å; P638-A640 PolarHBondContact O-N 3.23Å; A640-L658 HydrophobicContact CB-CD2 4.44Å; A640-L661 HydrophobicContact CB-CD1 4.13Å; A640-I670 HydrophobicContact CB-CG2 3.51Å; A640-S671 WeakPolarHBondContact CA-O 3.42Å; A640-S671 VanDerWaalsContact CB-O 3.3Å; A640-S671 WeakPolarHBondContact CB-O 3.32Å; A640-S671 PolarHBondContact N-O 3.49Å |
| 641 | N | 97.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 147.8 | 176.1 | -78.4 | 52.6 | 0 | 0 | 0 | 111.5 | S537 A637 P638 G639 T673 | S537-N641 WeakPolarHBondContact CB-O 3.5Å; S537-N641 PolarHBondContact OG-O 2.96Å; A637-N641 HydrophobicContact CB-CB 4.39Å; P638-N641 HydrophobicContact CG-CB 4.08Å; P638-N641 WeakPolarHBondContact O-CB 3.26Å; P638-N641 VanDerWaalsContact O-CG 3.31Å; P638-N641 PolarHBondContact O-N 3.25Å; P638-N641 PolarHBondContact O-OD1 3.39Å; P638-N641 VanDerWaalsContact O-OD1 3.06Å; G639-N641 VanDerWaalsContact C-N 3.33Å; N641-T673 PolarHBondContact ND2-O 2.95Å; N641-T673 PolarHBondContact OD1-N 3.34Å |
| 642 | P | 97.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -50.8 | 153 | 161.2 | -30 | 41 | 0 | 0 | 0 | 112.8 | Y573 A637 A646 E647 L658 | Y573-P642 HydrophobicContact CD1-CB 4.49Å; Y573-P642 HydrophobicContact CD1-CG 4.34Å; Y573-P642 HydrophobicContact CE1-CG 4.41Å; Y573-P642 WeakPolarHBondContact O-CB 3.48Å; A637-P642 WeakPolarHBondContact CB-O 3.44Å; P642-A646 HydrophobicContact CB-CB 4.12Å; P642-E647 HydrophobicContact CB-CG 3.54Å; P642-E647 HydrophobicContact CG-CG 3.61Å; P642-L658 HydrophobicContact CG-CD1 4.34Å |
| 643 | S | 96.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -65 | 155.1 | 176.7 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | S537 H538 D541 G645 A646 | S537-S643 PolarHBondContact OG-N 2.92Å; H538-S643 VanDerWaalsContact CE1-CB 3.49Å; H538-S643 WeakPolarHBondContact CE1-CB 3.42Å; D541-S643 WeakPolarHBondContact OD2-CB 3.18Å; D541-S643 PolarHBondContact OD2-OG 2.9Å; S643-G645 PolarHBondContact O-N 2.85Å; S643-G645 VanDerWaalsContact O-N 3.16Å; S643-A646 WeakPolarHBondContact O-CB 3.48Å; S643-A646 PolarHBondContact O-N 3.35Å; S643-A646 WeakPolarHBondContact OG-CB 3.48Å |
| 644 | Y | 93.4 | Very high | 96 | Very high | 54 Ų | 54 | 29.1 Ų | 29.1 | 21% | 0.212 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 123.5 | -176.2 | -62.8 | -100.6 | 0 | 0 | 0 | 111.1 | N616 P635 L636 A637 A646 D753 S756 R757 | N616-Y644 PolarHBondContact ND2-OH 2.97Å; P635-Y644 HydrophobicContact CB-CE2 4.26Å; L636-Y644 WeakPolarHBondContact O-CE2 3.32Å; L636-Y644 PolarHBondContact O-OH 2.91Å; L636-Y644 VanDerWaalsContact O-OH 3.11Å; A637-Y644 HydrophobicContact CB-CE2 4.34Å; Y644-A646 VanDerWaalsContact C-N 3.26Å; Y644-A646 PolarHBondContact O-N 2.95Å; Y644-D753 WeakPolarHBondContact CE1-OD1 3.43Å; Y644-D753 VanDerWaalsContact CZ-OD1 3.27Å; Y644-D753 PolarHBondContact OH-OD1 2.78Å; Y644-S756 WeakPolarHBondContact CD1-OG 3.46Å; Y644-S756 WeakPolarHBondContact CE1-OG 3.36Å; Y644-R757 HydrophobicContact CD1-CG 4.37Å; Y644-R757 HydrophobicContact CE1-CG 3.7Å |
| 645 | G | 91.7 | Very high | 96.1 | Very high | 45 Ų | 45 | 24.9 Ų | 24.9 | 46% | 0.464 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 8.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S643 | S643-G645 PolarHBondContact O-N 2.85Å; S643-G645 VanDerWaalsContact O-N 3.16Å |
| 646 | A | 95.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -41.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K572 N575 P642 S643 Y644 Q648 | K572-A646 HydrophobicContact CB-CB 3.87Å; K572-A646 HydrophobicContact CD-CB 3.89Å; N575-A646 PolarHBondContact ND2-O 3.49Å; N575-A646 PolarHBondContact OD1-O 2.97Å; P642-A646 HydrophobicContact CB-CB 4.12Å; S643-A646 WeakPolarHBondContact O-CB 3.48Å; S643-A646 PolarHBondContact O-N 3.35Å; S643-A646 WeakPolarHBondContact OG-CB 3.48Å; Y644-A646 VanDerWaalsContact C-N 3.26Å; Y644-A646 PolarHBondContact O-N 2.95Å; A646-Q648 PolarHBondContact O-N 3.22Å |
| 647 | E | 95.5 | Very high | 96.3 | Very high | 22 Ų | 22 | 25 Ų | 25 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | trans | -70.7 | 109.1 | -175.4 | -66.3 | 161.5 | 102.2 | 0 | 0 | 110.9 | P642 S654 Q674 T758 H760 | P642-E647 HydrophobicContact CB-CG 3.54Å; P642-E647 HydrophobicContact CG-CG 3.61Å; E647-S654 WeakPolarHBondContact OE1-CB 3.49Å; E647-S654 PolarHBondContact OE1-OG 2.9Å; E647-Q674 PolarHBondContact OE1-NE2 3.42Å; E647-Q674 PolarHBondContact OE1-OE1 2.91Å; E647-T758 HydrophobicContact CB-CG2 3.94Å; E647-T758 WeakPolarHBondContact OE2-CB 3.27Å; E647-T758 PolarHBondContact OE2-OG1 3.39Å; E647-H760 IonicContact OE1-CE1 2.95Å; E647-H760 PolarHBondContact OE1-CE1 3.15Å; E647-H760 IonicContact OE1-NE2 3.05Å; E647-H760 PolarHBondContact OE1-NE2 3.39Å; E647-H760 VanDerWaalsContact OE1-NE2 3.15Å | ||
| 648 | Q | 93 | Very high | 96.4 | Very high | 141 Ų | 141 | 25.2 Ų | 25.2 | 66% | 0.659 | 14% | 0.14 | S | C | * | . | trans | -121.3 | -12.5 | -179.4 | -63.2 | -170.5 | 1.3 | 0 | 0 | 113.4 | N575 A646 | N575-Q648 PolarHBondContact OD1-N 2.92Å; A646-Q648 PolarHBondContact O-N 3.22Å | ||
| 649 | N | 95.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 25.8 Ų | 25.8 | 50% | 0.497 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -101.2 | 0.3 | -172.1 | -70.2 | -22.7 | 0 | 0 | 0 | 115.1 | N575 A653 | N575-N649 PolarHBondContact O-ND2 3.2Å; N575-N649 PolarHBondContact OD1-N 2.94Å; N649-A653 HydrophobicContact CB-CB 3.46Å; N649-A653 VanDerWaalsContact CB-CB 3.46Å |
| 650 | G | 95.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | trans | 105.5 | 174.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A653 S654 | G650-A653 PolarHBondContact O-N 2.83Å; G650-S654 PolarHBondContact O-N 2.96Å | ||
| 651 | L | 97 | Very high | 96.7 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | -177.6 | 174.9 | 62.1 | 0 | 0 | 0 | 111.4 | A653 S654 L655 Q674 I676 V695 H760 K762 M763 | L651-A653 VanDerWaalsContact C-N 3.33Å; L651-A653 PolarHBondContact O-N 3.13Å; L651-S654 WeakPolarHBondContact O-CB 3.3Å; L651-S654 PolarHBondContact O-N 3.37Å; L651-L655 HydrophobicContact CD1-CD1 3.93Å; L651-L655 HydrophobicContact CD1-CD2 4.37Å; L651-L655 HydrophobicContact CD1-CG 3.9Å; L651-L655 HydrophobicContact CD2-CD1 4.4Å; L651-L655 HydrophobicContact CG-CD1 3.83Å; L651-L655 HydrophobicContact CG-CG 4.2Å; L651-L655 WeakPolarHBondContact O-CB 3.38Å; L651-L655 VanDerWaalsContact O-CG 3.32Å; L651-L655 WeakPolarHBondContact O-CG 3.34Å; L651-L655 PolarHBondContact O-N 2.85Å; L651-Q674 HydrophobicContact CD1-CB 3.82Å; L651-Q674 HydrophobicContact CD1-CG 3.91Å; L651-I676 HydrophobicContact CD2-CD1 3.68Å; L651-V695 HydrophobicContact CD2-CG1 4.23Å; L651-H760 HydrophobicContact CB-CB 4.13Å; L651-H760 PolarHBondContact N-ND1 2.93Å; L651-K762 PolarHBondContact N-O 3.48Å; L651-M763 PolarHBondContact N-OXT 2.83Å |
| 652 | L | 97.3 | Very high | 96.6 | Very high | 79 Ų | 79 | 30.7 Ų | 30.7 | 41% | 0.414 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -39.1 | -176.8 | -66.1 | -180 | 0 | 0 | 0 | 111.9 | L655 N656 V695 M763 | L652-L655 PolarHBondContact O-N 3.41Å; L652-N656 VanDerWaalsContact O-CB 3.31Å; L652-N656 WeakPolarHBondContact O-CB 3.41Å; L652-N656 PolarHBondContact O-N 2.87Å; L652-N656 PolarHBondContact O-OD1 2.85Å; L652-V695 HydrophobicContact CD2-CG2 4.08Å; L652-M763 WeakPolarHBondContact CB-OXT 3.33Å; L652-M763 HydrophobicContact CD1-CB 4.35Å; L652-M763 HydrophobicContact CG-CB 4.37Å; L652-M763 WeakPolarHBondContact CG-OXT 3.46Å; L652-M763 PolarHBondContact N-OXT 3.07Å |
| 653 | A | 97.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 31 Ų | 31 | 12% | 0.116 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D576 N649 G650 L651 N656 S657 | D576-A653 HydrophobicContact CB-CB 4.31Å; D576-A653 PolarHBondContact N-O 2.69Å; N649-A653 HydrophobicContact CB-CB 3.46Å; N649-A653 VanDerWaalsContact CB-CB 3.46Å; G650-A653 PolarHBondContact O-N 2.83Å; L651-A653 VanDerWaalsContact C-N 3.33Å; L651-A653 PolarHBondContact O-N 3.13Å; A653-N656 PolarHBondContact O-N 2.95Å; A653-S657 PolarHBondContact O-N 3Å; A653-S657 VanDerWaalsContact O-N 3.15Å |
| 654 | S | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | G574 E647 G650 L651 N656 S657 L658 Q674 | G574-S654 VanDerWaalsContact O-CA 3.31Å; G574-S654 WeakPolarHBondContact O-CA 3.48Å; E647-S654 WeakPolarHBondContact OE1-CB 3.49Å; E647-S654 PolarHBondContact OE1-OG 2.9Å; G650-S654 PolarHBondContact O-N 2.96Å; L651-S654 WeakPolarHBondContact O-CB 3.3Å; L651-S654 PolarHBondContact O-N 3.37Å; S654-N656 PolarHBondContact O-N 3.16Å; S654-S657 PolarHBondContact O-N 2.74Å; S654-L658 VanDerWaalsContact O-CD1 3.24Å; S654-L658 WeakPolarHBondContact O-CD1 3.49Å; S654-L658 PolarHBondContact O-N 2.5Å; S654-Q674 PolarHBondContact OG-NE2 3.31Å |
| 655 | L | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 176.2 | -69.2 | -179.6 | 0 | 0 | 0 | 111.6 | L651 L652 S657 L658 T659 N672 Q674 V695 Y699 L707 | L651-L655 HydrophobicContact CD1-CD1 3.93Å; L651-L655 HydrophobicContact CD1-CD2 4.37Å; L651-L655 HydrophobicContact CD1-CG 3.9Å; L651-L655 HydrophobicContact CD2-CD1 4.4Å; L651-L655 HydrophobicContact CG-CD1 3.83Å; L651-L655 HydrophobicContact CG-CG 4.2Å; L651-L655 WeakPolarHBondContact O-CB 3.38Å; L651-L655 VanDerWaalsContact O-CG 3.32Å; L651-L655 WeakPolarHBondContact O-CG 3.34Å; L651-L655 PolarHBondContact O-N 2.85Å; L652-L655 PolarHBondContact O-N 3.41Å; L655-S657 VanDerWaalsContact C-N 3.31Å; L655-S657 PolarHBondContact O-N 3.25Å; L655-L658 WeakPolarHBondContact O-CA 3.39Å; L655-L658 WeakPolarHBondContact O-CB 3.46Å; L655-L658 PolarHBondContact O-N 2.67Å; L655-T659 WeakPolarHBondContact O-CG2 3.42Å; L655-T659 PolarHBondContact O-N 3.36Å; L655-N672 WeakPolarHBondContact CD2-ND2 3.17Å; L655-Q674 HydrophobicContact CD2-CG 3.9Å; L655-V695 HydrophobicContact CD1-CG1 3.47Å; L655-V695 VanDerWaalsContact CD1-CG1 3.47Å; L655-Y699 HydrophobicContact CB-CD2 3.68Å; L655-Y699 HydrophobicContact CB-CE2 3.99Å; L655-Y699 HydrophobicContact CB-CG 4.49Å; L655-Y699 HydrophobicContact CD2-CD2 3.86Å; L655-Y699 HydrophobicContact CD2-CE1 4.43Å; L655-Y699 HydrophobicContact CD2-CE2 3.76Å; L655-Y699 HydrophobicContact CD2-CG 4.22Å; L655-Y699 HydrophobicContact CG-CD2 4.21Å; L655-Y699 HydrophobicContact CG-CE2 4.45Å; L655-Y699 WeakPolarHBondContact O-CE2 3.29Å; L655-L707 HydrophobicContact CD2-CD1 3.81Å; L655-L707 HydrophobicContact CD2-CD2 4.44Å |
| 656 | N | 98.3 | Very high | 97 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 21% | 0.214 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -35.3 | 178.3 | -76.4 | -10.2 | 0 | 0 | 0 | 113.4 | D576 L652 A653 S654 L658 T659 K660 Q702 | D576-N656 HydrophobicContact CB-CB 4.08Å; D576-N656 PolarHBondContact OD2-ND2 3.49Å; D576-N656 VanDerWaalsContact OD2-ND2 3.08Å; L652-N656 VanDerWaalsContact O-CB 3.31Å; L652-N656 WeakPolarHBondContact O-CB 3.41Å; L652-N656 PolarHBondContact O-N 2.87Å; L652-N656 PolarHBondContact O-OD1 2.85Å; A653-N656 PolarHBondContact O-N 2.95Å; S654-N656 PolarHBondContact O-N 3.16Å; N656-L658 VanDerWaalsContact C-N 3.28Å; N656-L658 PolarHBondContact O-N 3.45Å; N656-T659 PolarHBondContact O-N 3.47Å; N656-T659 PolarHBondContact O-OG1 3.46Å; N656-K660 WeakPolarHBondContact O-CE 3.41Å; N656-Q702 PolarHBondContact OD1-NE2 3.17Å |
| 657 | S | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 172.8 | -78.5 | 0 | 0 | 0 | 0 | 112.1 | G574 N575 D576 D581 A653 S654 L655 K660 | G574-S657 WeakPolarHBondContact CA-OG 3.44Å; G574-S657 PolarHBondContact N-OG 3.16Å; N575-S657 PolarHBondContact N-OG 2.91Å; N575-S657 VanDerWaalsContact N-OG 3.12Å; D576-S657 WeakPolarHBondContact CA-OG 2.7Å; D576-S657 PolarHBondContact N-OG 3.19Å; D581-S657 VanDerWaalsContact CG-OG 3.23Å; D581-S657 WeakPolarHBondContact OD1-CB 3.45Å; D581-S657 PolarHBondContact OD1-OG 2.62Å; D581-S657 WeakPolarHBondContact OD2-CA 3.29Å; D581-S657 WeakPolarHBondContact OD2-CB 3.26Å; D581-S657 PolarHBondContact OD2-OG 3.3Å; A653-S657 PolarHBondContact O-N 3Å; A653-S657 VanDerWaalsContact O-N 3.15Å; S654-S657 PolarHBondContact O-N 2.74Å; L655-S657 VanDerWaalsContact C-N 3.31Å; L655-S657 PolarHBondContact O-N 3.25Å; S657-K660 WeakPolarHBondContact O-CB 3.2Å; S657-K660 WeakPolarHBondContact O-CG 3.31Å; S657-K660 PolarHBondContact O-N 2.7Å |
| 658 | L | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75.9 | -26.9 | 178.4 | -87 | 79.7 | 0 | 0 | 0 | 113.4 | Y573 A640 P642 S654 L655 N656 K660 L661 N672 Y699 | Y573-L658 HydrophobicContact CE1-CD1 4.05Å; Y573-L658 VanDerWaalsContact OH-CD1 3.31Å; Y573-L658 WeakPolarHBondContact OH-CD1 3.31Å; Y573-L658 WeakPolarHBondContact OH-CG 3.36Å; A640-L658 HydrophobicContact CB-CD2 4.44Å; P642-L658 HydrophobicContact CG-CD1 4.34Å; S654-L658 VanDerWaalsContact O-CD1 3.24Å; S654-L658 WeakPolarHBondContact O-CD1 3.49Å; S654-L658 PolarHBondContact O-N 2.5Å; L655-L658 WeakPolarHBondContact O-CA 3.39Å; L655-L658 WeakPolarHBondContact O-CB 3.46Å; L655-L658 PolarHBondContact O-N 2.67Å; N656-L658 VanDerWaalsContact C-N 3.28Å; N656-L658 PolarHBondContact O-N 3.45Å; L658-K660 PolarHBondContact O-N 3.1Å; L658-K660 VanDerWaalsContact O-N 3.15Å; L658-L661 PolarHBondContact O-N 2.89Å; L658-L661 VanDerWaalsContact O-N 3.14Å; L658-N672 HydrophobicContact CD2-CB 3.34Å; L658-N672 WeakPolarHBondContact CD2-ND2 3.33Å; L658-N672 WeakPolarHBondContact CD2-OD1 3.48Å; L658-Y699 HydrophobicContact CB-CE2 4.06Å |
| 659 | T | 98 | Very high | 97.5 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 10% | 0.098 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.9 | 173.8 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | L655 N656 L661 Y699 Q702 A704 | L655-T659 WeakPolarHBondContact O-CG2 3.42Å; L655-T659 PolarHBondContact O-N 3.36Å; N656-T659 PolarHBondContact O-N 3.47Å; N656-T659 PolarHBondContact O-OG1 3.46Å; T659-L661 VanDerWaalsContact C-N 3.32Å; T659-Y699 HydrophobicContact CG2-CD2 3.66Å; T659-Y699 HydrophobicContact CG2-CE2 3.94Å; T659-Q702 HydrophobicContact CG2-CB 3.61Å; T659-Q702 HydrophobicContact CG2-CG 4.45Å; T659-A704 HydrophobicContact CG2-CB 4.04Å |
| 660 | K | 98.2 | Very high | 97.6 | Very high | 91 Ų | 91 | 25.1 Ų | 25.1 | 40% | 0.396 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.1 | 176 | -49.4 | -50.7 | 177.9 | -162.9 | 0 | 113.4 | D581 V585 N656 S657 L658 P662 | D581-K660 HydrophobicContact CB-CB 4.38Å; D581-K660 HydrophobicContact CB-CG 4.05Å; V585-K660 HydrophobicContact CG2-CB 4.39Å; V585-K660 VanDerWaalsContact CG2-O 3.29Å; V585-K660 WeakPolarHBondContact CG2-O 3.18Å; N656-K660 WeakPolarHBondContact O-CE 3.41Å; S657-K660 WeakPolarHBondContact O-CB 3.2Å; S657-K660 WeakPolarHBondContact O-CG 3.31Å; S657-K660 PolarHBondContact O-N 2.7Å; L658-K660 PolarHBondContact O-N 3.1Å; L658-K660 VanDerWaalsContact O-N 3.15Å; K660-P662 VanDerWaalsContact O-CD 3.31Å; K660-P662 WeakPolarHBondContact O-CD 3.37Å |
| 661 | L | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -76.4 | 118 | -176.6 | -64.8 | 178.9 | 0 | 0 | 0 | 110.7 | F536 Y573 A584 I610 A640 L658 T659 Y663 I670 | F536-L661 HydrophobicContact CE1-CD1 4.06Å; F536-L661 HydrophobicContact CE1-CD2 3.96Å; F536-L661 HydrophobicContact CZ-CD1 4.4Å; F536-L661 HydrophobicContact CZ-CD2 3.67Å; Y573-L661 VanDerWaalsContact OH-CD1 3.23Å; Y573-L661 WeakPolarHBondContact OH-CD1 3.47Å; A584-L661 HydrophobicContact CB-CD2 3.88Å; I610-L661 HydrophobicContact CD1-CD1 3.93Å; A640-L661 HydrophobicContact CB-CD1 4.13Å; L658-L661 PolarHBondContact O-N 2.89Å; L658-L661 VanDerWaalsContact O-N 3.14Å; T659-L661 VanDerWaalsContact C-N 3.32Å; L661-Y663 PolarHBondContact O-N 3.4Å; L661-I670 HydrophobicContact CB-CD1 3.87Å; L661-I670 HydrophobicContact CD1-CG2 3.88Å |
| 662 | P | 96.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 24.6 Ų | 24.6 | 11% | 0.11 | 12% | 0.12 | C | C | . | . | trans | -76.5 | 112 | -176 | 29.8 | -35.2 | 0 | 0 | 0 | 111.6 | V585 L588 K660 E664 Y665 | V585-P662 HydrophobicContact CG1-CG 4.33Å; L588-P662 HydrophobicContact CD2-CG 4.29Å; K660-P662 VanDerWaalsContact O-CD 3.31Å; K660-P662 WeakPolarHBondContact O-CD 3.37Å; P662-E664 WeakPolarHBondContact CA-OE2 3.44Å; P662-E664 VanDerWaalsContact CB-CD 3.41Å; P662-E664 HydrophobicContact CB-CG 4.43Å; P662-E664 VanDerWaalsContact CB-OE1 3.27Å; P662-E664 WeakPolarHBondContact CB-OE1 3.47Å; P662-E664 VanDerWaalsContact CB-OE2 3.32Å; P662-E664 WeakPolarHBondContact CB-OE2 3.26Å; P662-E664 PolarHBondContact O-N 3.19Å; P662-Y665 HydrophobicContact CB-CD2 3.84Å; P662-Y665 HydrophobicContact CB-CE2 4.44Å; P662-Y665 HydrophobicContact CG-CD2 3.65Å; P662-Y665 HydrophobicContact CG-CE2 4.36Å; P662-Y665 HydrophobicContact CG-CG 4.41Å; P662-Y665 PolarHBondContact O-N 3.11Å; P662-Y665 VanDerWaalsContact O-N 3.12Å | ||
| 663 | Y | 97.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -57.7 | -29.7 | 179.2 | 173.8 | -122.4 | 0 | 0 | 0 | 112.9 | V411 M412 W416 L661 Y665 A666 L667 H705 | V411-Y663 HydrophobicContact CB-CD1 4.31Å; V411-Y663 HydrophobicContact CG2-CD1 3.92Å; V411-Y663 HydrophobicContact CG2-CE1 4.44Å; V411-Y663 HydrophobicContact CG2-CG 4.46Å; M412-Y663 HydrophobicContact CG-CE1 3.85Å; W416-Y663 AromaticContact NE1-CZ 3.99Å; W416-Y663 PolarHBondContact NE1-OH 3.5Å; L661-Y663 PolarHBondContact O-N 3.4Å; Y663-Y665 PolarHBondContact O-N 3.26Å; Y663-Y665 VanDerWaalsContact O-N 3.13Å; Y663-A666 WeakPolarHBondContact CD2-O 3.21Å; Y663-A666 WeakPolarHBondContact CE2-O 3.46Å; Y663-A666 CarbonylContact O-C 3.59Å; Y663-A666 WeakPolarHBondContact O-CA 3.44Å; Y663-A666 PolarHBondContact O-N 2.9Å; Y663-L667 HydrophobicContact CD1-CD2 4.31Å; Y663-L667 HydrophobicContact CE1-CD2 3.87Å; Y663-L667 HydrophobicContact CE2-CD2 4.42Å; Y663-L667 PolarHBondContact O-N 2.95Å; Y663-L667 PolarHBondContact OH-O 2.89Å; Y663-H705 HydrophobicContact CD2-CB 4.19Å; Y663-H705 AromaticContact CD2-CD2 3.18Å; Y663-H705 WeakPolarHBondContact CD2-CD2 3.42Å; Y663-H705 AromaticContact CD2-CG 3.77Å; Y663-H705 AromaticContact CD2-NE2 3.84Å; Y663-H705 AromaticContact CE2-CD2 3.07Å; Y663-H705 WeakPolarHBondContact CE2-CD2 3Å; Y663-H705 AromaticContact CE2-CG 3.97Å; Y663-H705 AromaticContact CE2-NE2 3.23Å; Y663-H705 WeakPolarHBondContact CE2-NE2 3.22Å; Y663-H705 AromaticContact CG-CD2 3.77Å; Y663-H705 AromaticContact CZ-CD2 3.58Å; Y663-H705 AromaticContact CZ-NE2 3.6Å |
| 664 | E | 95.6 | Very high | 97.8 | Very high | 125 Ų | 125 | 20.9 Ų | 20.9 | 58% | 0.584 | 10% | 0.099 | S | C | * | . | G | 310 helix | trans | -62.9 | -19.5 | 179 | 69.5 | -85 | -164.7 | 0 | 0 | 114 | P662 | P662-E664 WeakPolarHBondContact CA-OE2 3.44Å; P662-E664 VanDerWaalsContact CB-CD 3.41Å; P662-E664 HydrophobicContact CB-CG 4.43Å; P662-E664 VanDerWaalsContact CB-OE1 3.27Å; P662-E664 WeakPolarHBondContact CB-OE1 3.47Å; P662-E664 VanDerWaalsContact CB-OE2 3.32Å; P662-E664 WeakPolarHBondContact CB-OE2 3.26Å; P662-E664 PolarHBondContact O-N 3.19Å |
| 665 | Y | 97.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 21.2 Ų | 21.2 | 28% | 0.275 | 10% | 0.101 | S | C | . | . | G | 310 helix | trans | -96.1 | -1.1 | 172 | -68.1 | -93.4 | 0 | 0 | 0 | 113 | K589 T608 P662 Y663 | K589-Y665 HydrophobicContact CB-CD1 4.21Å; K589-Y665 HydrophobicContact CB-CE1 4.32Å; K589-Y665 HydrophobicContact CD-CD2 4.38Å; K589-Y665 HydrophobicContact CD-CE1 4.14Å; K589-Y665 HydrophobicContact CD-CE2 4.07Å; K589-Y665 VanDerWaalsContact CE-CE2 3.4Å; K589-Y665 HydrophobicContact CG-CD1 3.77Å; K589-Y665 HydrophobicContact CG-CD2 4Å; K589-Y665 HydrophobicContact CG-CE1 3.87Å; K589-Y665 HydrophobicContact CG-CE2 4.15Å; K589-Y665 HydrophobicContact CG-CG 3.82Å; T608-Y665 WeakPolarHBondContact CG2-O 3.27Å; P662-Y665 HydrophobicContact CB-CD2 3.84Å; P662-Y665 HydrophobicContact CB-CE2 4.44Å; P662-Y665 HydrophobicContact CG-CD2 3.65Å; P662-Y665 HydrophobicContact CG-CE2 4.36Å; P662-Y665 HydrophobicContact CG-CG 4.41Å; P662-Y665 PolarHBondContact O-N 3.11Å; P662-Y665 VanDerWaalsContact O-N 3.12Å; Y663-Y665 PolarHBondContact O-N 3.26Å; Y663-Y665 VanDerWaalsContact O-N 3.13Å |
| 666 | A | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -137.4 | 48.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L588 T608 Y663 D668 G669 I670 | L588-A666 HydrophobicContact CD1-CB 3.95Å; L588-A666 HydrophobicContact CD2-CB 4.04Å; T608-A666 CarbonylContact O-C 3.57Å; T608-A666 WeakPolarHBondContact O-CA 3.26Å; Y663-A666 WeakPolarHBondContact CD2-O 3.21Å; Y663-A666 WeakPolarHBondContact CE2-O 3.46Å; Y663-A666 CarbonylContact O-C 3.59Å; Y663-A666 WeakPolarHBondContact O-CA 3.44Å; Y663-A666 PolarHBondContact O-N 2.9Å; A666-D668 PolarHBondContact O-N 3.22Å; A666-G669 WeakPolarHBondContact O-CA 3.36Å; A666-G669 PolarHBondContact O-N 3.49Å; A666-I670 HydrophobicContact CB-CD1 3.9Å; A666-I670 HydrophobicContact CB-CG1 3.57Å | ||
| 667 | L | 97.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 21.3 Ų | 21.3 | 18% | 0.178 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.6 | -175.6 | -70.4 | 179.6 | 0 | 0 | 0 | 114.5 | V415 W416 T607 Y663 G669 | V415-L667 HydrophobicContact CG1-CD2 4.36Å; W416-L667 HydrophobicContact CZ2-CB 4.13Å; W416-L667 HydrophobicContact CZ2-CD2 4.33Å; T607-L667 HydrophobicContact CG2-CB 4.01Å; Y663-L667 HydrophobicContact CD1-CD2 4.31Å; Y663-L667 HydrophobicContact CE1-CD2 3.87Å; Y663-L667 HydrophobicContact CE2-CD2 4.42Å; Y663-L667 PolarHBondContact O-N 2.95Å; Y663-L667 PolarHBondContact OH-O 2.89Å; L667-G669 VanDerWaalsContact C-N 3.33Å |
| 668 | D | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.1 | 170.4 | -164.6 | 62.4 | 0 | 0 | 0 | 113.6 | R187 V426 S427 A530 T608 S609 A666 | R187-D668 IonicContact CZ-OD1 2.85Å; R187-D668 IonicContact CZ-OD2 2.72Å; R187-D668 IonicContact NH1-OD1 3.51Å; R187-D668 PolarHBondContact NH1-OD1 3.47Å; R187-D668 IonicContact NH1-OD2 3.66Å; R187-D668 PolarHBondContact NH1-OD2 3.21Å; R187-D668 IonicContact NH2-OD1 2.68Å; R187-D668 IonicContact NH2-OD2 3.64Å; R187-D668 PolarHBondContact NH2-OD2 3.32Å; V426-D668 CarbonylContact C-O 3.48Å; S427-D668 WeakPolarHBondContact CA-O 3.49Å; S427-D668 WeakPolarHBondContact CB-O 3.49Å; S427-D668 WeakPolarHBondContact CB-OD1 3.37Å; S427-D668 PolarHBondContact OG-O 3.19Å; S427-D668 PolarHBondContact OG-OD1 3.11Å; A530-D668 HydrophobicContact CB-CB 4.31Å; A530-D668 VanDerWaalsContact CB-CG 3.48Å; A530-D668 VanDerWaalsContact CB-OD1 3.23Å; A530-D668 WeakPolarHBondContact CB-OD1 3.2Å; T608-D668 VanDerWaalsContact O-CB 3.27Å; T608-D668 WeakPolarHBondContact O-CB 3.41Å; T608-D668 PolarHBondContact O-N 3.24Å; S609-D668 WeakPolarHBondContact CB-OD2 3.33Å; S609-D668 PolarHBondContact OG-OD2 2.77Å; S609-D668 VanDerWaalsContact OG-OD2 3.07Å; A666-D668 PolarHBondContact O-N 3.22Å |
| 669 | G | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117 | 155.1 | 166 | 0 | 0 | 0 | 0 | 0 | 115.6 | V426 S609 I610 A666 L667 | V426-G669 VanDerWaalsContact O-CA 3.3Å; V426-G669 WeakPolarHBondContact O-CA 3.44Å; S609-G669 CarbonylContact C-O 3.59Å; S609-G669 WeakPolarHBondContact CA-O 3.3Å; S609-G669 WeakPolarHBondContact CB-O 3.47Å; I610-G669 PolarHBondContact N-O 3.35Å; A666-G669 WeakPolarHBondContact O-CA 3.36Å; A666-G669 PolarHBondContact O-N 3.49Å; L667-G669 VanDerWaalsContact C-N 3.33Å |
| 670 | I | 98.7 | Very high | 97 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 107.6 | 177.2 | -58.3 | 168.7 | 0 | 0 | 0 | 108.3 | I610 A640 L661 A666 H705 H706 | I610-I670 HydrophobicContact CD1-CG1 4.45Å; I610-I670 HydrophobicContact CD1-CG2 4.37Å; A640-I670 HydrophobicContact CB-CG2 3.51Å; L661-I670 HydrophobicContact CB-CD1 3.87Å; L661-I670 HydrophobicContact CD1-CG2 3.88Å; A666-I670 HydrophobicContact CB-CD1 3.9Å; A666-I670 HydrophobicContact CB-CG1 3.57Å; I670-H705 HydrophobicContact CB-CB 4.03Å; I670-H705 HydrophobicContact CD1-CB 4.5Å; I670-H705 PolarHBondContact N-ND1 2.89Å; I670-H706 WeakPolarHBondContact O-CB 3.41Å |
| 671 | S | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -88.9 | 129.9 | -176.6 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | I610 A640 G738 | I610-S671 PolarHBondContact O-N 3.28Å; I610-S671 VanDerWaalsContact O-N 3.08Å; A640-S671 WeakPolarHBondContact CA-O 3.42Å; A640-S671 VanDerWaalsContact CB-O 3.3Å; A640-S671 WeakPolarHBondContact CB-O 3.32Å; A640-S671 PolarHBondContact N-O 3.49Å; S671-G738 PolarHBondContact OG-N 2.66Å | ||
| 672 | N | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -129.4 | 133.4 | 175.9 | -178.6 | 22.9 | 0 | 0 | 0 | 109.6 | L655 L658 Q674 Y699 H706 L707 N708 | L655-N672 WeakPolarHBondContact CD2-ND2 3.17Å; L658-N672 HydrophobicContact CD2-CB 3.34Å; L658-N672 WeakPolarHBondContact CD2-ND2 3.33Å; L658-N672 WeakPolarHBondContact CD2-OD1 3.48Å; N672-Q674 PolarHBondContact OD1-NE2 2.97Å; N672-Y699 PolarHBondContact ND2-OH 3.43Å; N672-H706 WeakPolarHBondContact CB-O 3.31Å; N672-H706 PolarHBondContact N-ND1 3.18Å; N672-H706 VanDerWaalsContact N-ND1 3.14Å; N672-H706 PolarHBondContact O-CE1 3.01Å; N672-H706 PolarHBondContact O-ND1 2.94Å; N672-L707 HydrophobicContact CB-CD1 4.43Å; N672-L707 VanDerWaalsContact ND2-CD1 3.27Å; N672-L707 WeakPolarHBondContact ND2-CD1 3.24Å; N672-N708 PolarHBondContact O-N 3.08Å | ||
| 673 | T | 97.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 110.3 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | N641 N708 R735 | N641-T673 PolarHBondContact ND2-O 2.95Å; N641-T673 PolarHBondContact OD1-N 3.34Å; T673-N708 HydrophobicContact CG2-CB 3.93Å; T673-N708 PolarHBondContact OG1-ND2 2.84Å; T673-N708 VanDerWaalsContact OG1-ND2 3.15Å; T673-R735 WeakPolarHBondContact CG2-O 3.42Å |
| 674 | Q | 96.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.2 | -177.9 | -64.4 | -64.7 | -29.6 | 0 | 0 | 110.4 | E647 L651 S654 L655 N672 L707 N708 N710 H760 | E647-Q674 PolarHBondContact OE1-NE2 3.42Å; E647-Q674 PolarHBondContact OE1-OE1 2.91Å; L651-Q674 HydrophobicContact CD1-CB 3.82Å; L651-Q674 HydrophobicContact CD1-CG 3.91Å; S654-Q674 PolarHBondContact OG-NE2 3.31Å; L655-Q674 HydrophobicContact CD2-CG 3.9Å; N672-Q674 PolarHBondContact OD1-NE2 2.97Å; Q674-L707 HydrophobicContact CB-CD1 3.96Å; Q674-L707 HydrophobicContact CG-CD1 3.63Å; Q674-N708 PolarHBondContact N-O 2.73Å; Q674-N710 PolarHBondContact O-N 2.74Å; Q674-H760 PolarHBondContact OE1-CD2 3.43Å; Q674-H760 PolarHBondContact OE1-NE2 3.21Å |
| 675 | S | 96.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | N710 H760 | S675-N710 WeakPolarHBondContact CA-O 3.28Å; S675-N710 WeakPolarHBondContact OG-CB 3.3Å; S675-N710 PolarHBondContact OG-ND2 3.44Å; S675-H760 PolarHBondContact O-CD2 2.93Å; S675-H760 PolarHBondContact O-N 3.39Å |
| 676 | I | 96.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.9 | 179.3 | -173.2 | 159.7 | 0 | 0 | 0 | 110.4 | L651 A680 L681 N710 V711 F712 H760 M763 | L651-I676 HydrophobicContact CD2-CD1 3.68Å; I676-A680 HydrophobicContact CD1-CB 4.17Å; I676-A680 HydrophobicContact CG1-CB 3.9Å; I676-L681 HydrophobicContact CD1-CB 4.2Å; I676-L681 HydrophobicContact CD1-CD1 4.31Å; I676-L681 HydrophobicContact CG1-CB 4.45Å; I676-N710 PolarHBondContact N-O 3.32Å; I676-V711 HydrophobicContact CG2-CG2 4.25Å; I676-V711 WeakPolarHBondContact O-CA 3.47Å; I676-F712 PolarHBondContact O-N 2.81Å; I676-H760 HydrophobicContact CB-CB 4.4Å; I676-H760 HydrophobicContact CG1-CB 4.24Å; I676-M763 HydrophobicContact CD1-CG 4.41Å |
| 677 | N | 94.9 | Very high | 96.4 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | trans | -68.5 | 137.6 | 172.4 | -69.9 | -22.5 | 0 | 0 | 0 | 109.6 | D679 A680 L681 G713 H760 | N677-D679 PolarHBondContact O-N 2.89Å; N677-D679 VanDerWaalsContact O-N 3.16Å; N677-A680 HydrophobicContact CB-CB 4.2Å; N677-A680 WeakPolarHBondContact O-CA 3.5Å; N677-A680 WeakPolarHBondContact O-CB 3.41Å; N677-A680 PolarHBondContact O-N 3.23Å; N677-L681 PolarHBondContact O-N 3.46Å; N677-G713 WeakPolarHBondContact OD1-CA 3.17Å; N677-H760 PolarHBondContact N-O 2.89Å | ||
| 678 | P | 94.9 | Very high | 96.4 | Very high | 37 Ų | 37 | 40 Ų | 40 | 24% | 0.24 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.9 | -40.8 | -179.2 | -27.5 | 33.2 | 0 | 0 | 0 | 113.9 | A680 L681 G682 R688 V711 | P678-A680 VanDerWaalsContact C-N 3.26Å; P678-A680 PolarHBondContact O-N 2.89Å; P678-L681 PolarHBondContact O-N 3.48Å; P678-L681 VanDerWaalsContact O-N 3.14Å; P678-G682 PolarHBondContact O-N 3.37Å; P678-G682 VanDerWaalsContact O-N 3.11Å; P678-G682 VanDerWaalsContact O-O 3.08Å; P678-R688 PolarHBondContact O-NE 2.81Å; P678-V711 HydrophobicContact CB-CG1 4.38Å; P678-V711 HydrophobicContact CG-CG1 4.17Å |
| 679 | D | 93.9 | Very high | 96.4 | Very high | 122 Ų | 122 | 40.6 Ų | 40.6 | 65% | 0.652 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -71.1 | -20 | 179.6 | -64.3 | -18.1 | 0 | 0 | 0 | 113.7 | N677 L681 R688 | N677-D679 PolarHBondContact O-N 2.89Å; N677-D679 VanDerWaalsContact O-N 3.16Å; D679-L681 VanDerWaalsContact C-N 3.34Å; D679-R688 IonicContact OD1-NH2 3.29Å; D679-R688 PolarHBondContact OD1-NH2 3.19Å |
| 680 | A | 94.8 | Very high | 96.4 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -80.3 | -22 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I676 N677 P678 A761 | I676-A680 HydrophobicContact CD1-CB 4.17Å; I676-A680 HydrophobicContact CG1-CB 3.9Å; N677-A680 HydrophobicContact CB-CB 4.2Å; N677-A680 WeakPolarHBondContact O-CA 3.5Å; N677-A680 WeakPolarHBondContact O-CB 3.41Å; N677-A680 PolarHBondContact O-N 3.23Å; P678-A680 VanDerWaalsContact C-N 3.26Å; P678-A680 PolarHBondContact O-N 2.89Å; A680-A761 VanDerWaalsContact CB-C 3.43Å |
| 681 | L | 95.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -87.9 | -34.2 | 177.8 | -173.2 | 64.4 | 0 | 0 | 0 | 112 | I399 I676 N677 P678 D679 R688 N691 L692 V711 | I399-L681 HydrophobicContact CD1-CD2 4.27Å; I399-L681 HydrophobicContact CG1-CD2 4.02Å; I676-L681 HydrophobicContact CD1-CB 4.2Å; I676-L681 HydrophobicContact CD1-CD1 4.31Å; I676-L681 HydrophobicContact CG1-CB 4.45Å; N677-L681 PolarHBondContact O-N 3.46Å; P678-L681 PolarHBondContact O-N 3.48Å; P678-L681 VanDerWaalsContact O-N 3.14Å; D679-L681 VanDerWaalsContact C-N 3.34Å; L681-R688 HydrophobicContact CB-CG 4.22Å; L681-R688 HydrophobicContact CD2-CB 3.98Å; L681-R688 HydrophobicContact CD2-CG 4.32Å; L681-R688 HydrophobicContact CG-CB 4.1Å; L681-R688 HydrophobicContact CG-CG 4.19Å; L681-N691 HydrophobicContact CD1-CB 4Å; L681-N691 VanDerWaalsContact O-CB 3.3Å; L681-N691 WeakPolarHBondContact O-CB 3.32Å; L681-N691 PolarHBondContact O-ND2 2.92Å; L681-L692 HydrophobicContact CD1-CB 4.1Å; L681-L692 HydrophobicContact CD2-CB 4.07Å; L681-V711 HydrophobicContact CD2-CG1 4.19Å; L681-V711 HydrophobicContact CD2-CG2 4.41Å |
| 682 | G | 95.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | 173.5 | 163.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P678 R688 | P678-G682 PolarHBondContact O-N 3.37Å; P678-G682 VanDerWaalsContact O-N 3.11Å; P678-G682 VanDerWaalsContact O-O 3.08Å; G682-R688 PolarHBondContact O-NE 2.53Å; G682-R688 PolarHBondContact O-NH2 3.43Å | ||
| 683 | H | 93.7 | Very high | 96.4 | Very high | 154 Ų | 154 | 47.7 Ų | 47.7 | 71% | 0.713 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -85.3 | -23 | -176.8 | -61.8 | -49.6 | 0 | 0 | 0 | 113.7 | E687 | H683-E687 WeakPolarHBondContact CB-OE2 3.5Å; H683-E687 IonicContact CD2-OE2 3.23Å; H683-E687 PolarHBondContact CD2-OE2 2.88Å; H683-E687 IonicContact CG-OE2 2.97Å; H683-E687 PolarHBondContact N-OE2 3.25Å |
| 684 | D | 95.8 | Very high | 96.4 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -135.3 | 177.5 | 173.5 | 58.6 | 49.8 | 0 | 0 | 0 | 111.5 | D686 E687 R688 | D684-D686 PolarHBondContact OD1-N 3.43Å; D684-E687 WeakPolarHBondContact OD1-CB 3.33Å; D684-E687 PolarHBondContact OD1-N 2.99Å; D684-R688 WeakPolarHBondContact O-CB 3.22Å; D684-R688 WeakPolarHBondContact O-CD 3.49Å; D684-R688 WeakPolarHBondContact O-CG 3.42Å; D684-R688 PolarHBondContact O-N 3.2Å; D684-R688 VanDerWaalsContact O-N 3.11Å |
| 685 | E | 95.2 | Very high | 96.5 | Very high | 96 Ų | 96 | 51.4 Ų | 51.4 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | -176.6 | -173.8 | 174 | 123.2 | 0 | 0 | 112.1 | K396 E687 R688 V689 | K396-E685 WeakPolarHBondContact CE-OE1 3.04Å; E685-E687 PolarHBondContact O-N 3.3Å; E685-R688 PolarHBondContact O-N 3.48Å; E685-R688 VanDerWaalsContact O-N 3.17Å; E685-V689 WeakPolarHBondContact O-CG2 3.29Å; E685-V689 PolarHBondContact O-N 3.15Å |
| 686 | D | 96.5 | Very high | 96.6 | Very high | 128 Ų | 128 | 51.1 Ų | 51.1 | 68% | 0.684 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | -178.7 | -66.7 | -20.2 | 0 | 0 | 0 | 110.7 | D684 R688 V689 E690 | D684-D686 PolarHBondContact OD1-N 3.43Å; D686-R688 VanDerWaalsContact C-N 3.33Å; D686-R688 PolarHBondContact O-N 2.79Å; D686-V689 PolarHBondContact O-N 3.23Å; D686-E690 WeakPolarHBondContact O-CB 3.08Å; D686-E690 PolarHBondContact O-N 2.81Å |
| 687 | E | 97.2 | Very high | 96.7 | Very high | 64 Ų | 64 | 52 Ų | 52 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.7 | -175.5 | 178.5 | -161.3 | 0 | 0 | 111.8 | H683 D684 E685 N691 | H683-E687 WeakPolarHBondContact CB-OE2 3.5Å; H683-E687 IonicContact CD2-OE2 3.23Å; H683-E687 PolarHBondContact CD2-OE2 2.88Å; H683-E687 IonicContact CG-OE2 2.97Å; H683-E687 PolarHBondContact N-OE2 3.25Å; D684-E687 WeakPolarHBondContact OD1-CB 3.33Å; D684-E687 PolarHBondContact OD1-N 2.99Å; E685-E687 PolarHBondContact O-N 3.3Å; E687-N691 WeakPolarHBondContact CG-ND2 3.29Å; E687-N691 VanDerWaalsContact O-CB 3.28Å; E687-N691 WeakPolarHBondContact O-CB 3.12Å; E687-N691 VanDerWaalsContact O-CG 3.29Å; E687-N691 PolarHBondContact O-N 2.91Å; E687-N691 PolarHBondContact O-ND2 3.42Å |
| 688 | R | 98 | Very high | 96.8 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 177.8 | -73 | 165.2 | -174.7 | 160 | 3.1 | 111.9 | I399 P678 D679 L681 G682 D684 E685 D686 L692 | I399-R688 HydrophobicContact CD1-CB 3.73Å; I399-R688 HydrophobicContact CG1-CB 4.48Å; P678-R688 PolarHBondContact O-NE 2.81Å; D679-R688 IonicContact OD1-NH2 3.29Å; D679-R688 PolarHBondContact OD1-NH2 3.19Å; L681-R688 HydrophobicContact CB-CG 4.22Å; L681-R688 HydrophobicContact CD2-CB 3.98Å; L681-R688 HydrophobicContact CD2-CG 4.32Å; L681-R688 HydrophobicContact CG-CB 4.1Å; L681-R688 HydrophobicContact CG-CG 4.19Å; G682-R688 PolarHBondContact O-NE 2.53Å; G682-R688 PolarHBondContact O-NH2 3.43Å; D684-R688 WeakPolarHBondContact O-CB 3.22Å; D684-R688 WeakPolarHBondContact O-CD 3.49Å; D684-R688 WeakPolarHBondContact O-CG 3.42Å; D684-R688 PolarHBondContact O-N 3.2Å; D684-R688 VanDerWaalsContact O-N 3.11Å; E685-R688 PolarHBondContact O-N 3.48Å; E685-R688 VanDerWaalsContact O-N 3.17Å; D686-R688 VanDerWaalsContact C-N 3.33Å; D686-R688 PolarHBondContact O-N 2.79Å; R688-L692 VanDerWaalsContact O-CB 3.3Å; R688-L692 WeakPolarHBondContact O-CB 3.48Å; R688-L692 PolarHBondContact O-N 3.36Å |
| 689 | V | 98.3 | Very high | 97 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62 | -52.5 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | D392 A395 K396 I399 E685 D686 N691 L692 T693 | D392-V689 HydrophobicContact CB-CG1 3.75Å; A395-V689 HydrophobicContact CB-CG1 4.19Å; K396-V689 HydrophobicContact CB-CG2 4.02Å; I399-V689 HydrophobicContact CD1-CB 4.46Å; I399-V689 HydrophobicContact CD1-CG2 3.79Å; E685-V689 WeakPolarHBondContact O-CG2 3.29Å; E685-V689 PolarHBondContact O-N 3.15Å; D686-V689 PolarHBondContact O-N 3.23Å; V689-N691 PolarHBondContact O-N 3.42Å; V689-L692 PolarHBondContact O-N 2.93Å; V689-T693 PolarHBondContact O-N 3.03Å; V689-T693 PolarHBondContact O-OG1 2.98Å |
| 690 | E | 98 | Very high | 97.2 | Very high | 121 Ų | 121 | 44.5 Ų | 44.5 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -56.7 | -48.9 | 179.7 | -178.8 | 178.6 | -176.6 | 0 | 0 | 111.4 | D686 L692 T693 N694 | D686-E690 WeakPolarHBondContact O-CB 3.08Å; D686-E690 PolarHBondContact O-N 2.81Å; E690-L692 PolarHBondContact O-N 3.23Å; E690-T693 PolarHBondContact O-N 3.37Å; E690-N694 WeakPolarHBondContact O-CB 3.43Å; E690-N694 VanDerWaalsContact O-CG 3.23Å; E690-N694 PolarHBondContact O-N 2.95Å; E690-N694 PolarHBondContact O-ND2 3.12Å; E690-N694 VanDerWaalsContact O-ND2 3.15Å |
| 691 | N | 98.2 | Very high | 97.4 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | -179.2 | -74.3 | -25.4 | 0 | 0 | 0 | 112.4 | L681 E687 V689 N694 V695 M763 | L681-N691 HydrophobicContact CD1-CB 4Å; L681-N691 VanDerWaalsContact O-CB 3.3Å; L681-N691 WeakPolarHBondContact O-CB 3.32Å; L681-N691 PolarHBondContact O-ND2 2.92Å; E687-N691 WeakPolarHBondContact CG-ND2 3.29Å; E687-N691 VanDerWaalsContact O-CB 3.28Å; E687-N691 WeakPolarHBondContact O-CB 3.12Å; E687-N691 VanDerWaalsContact O-CG 3.29Å; E687-N691 PolarHBondContact O-N 2.91Å; E687-N691 PolarHBondContact O-ND2 3.42Å; V689-N691 PolarHBondContact O-N 3.42Å; N691-N694 PolarHBondContact O-N 3.32Å; N691-V695 WeakPolarHBondContact O-CB 3.32Å; N691-V695 VanDerWaalsContact O-CG2 3.24Å; N691-V695 WeakPolarHBondContact O-CG2 3.47Å; N691-V695 PolarHBondContact O-N 2.86Å; N691-M763 HydrophobicContact CB-CE 4.38Å; N691-M763 HydrophobicContact CB-SD 4.3Å |
| 692 | L | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 176.3 | -178.5 | 56.3 | 0 | 0 | 0 | 111.4 | A395 I399 L681 R688 V689 E690 N694 V695 L696 V709 | A395-L692 HydrophobicContact CB-CB 4.22Å; A395-L692 HydrophobicContact CB-CD2 3.93Å; A395-L692 HydrophobicContact CB-CG 4.1Å; I399-L692 HydrophobicContact CD1-CD2 4.28Å; I399-L692 HydrophobicContact CG1-CD2 4Å; L681-L692 HydrophobicContact CD1-CB 4.1Å; L681-L692 HydrophobicContact CD2-CB 4.07Å; R688-L692 VanDerWaalsContact O-CB 3.3Å; R688-L692 WeakPolarHBondContact O-CB 3.48Å; R688-L692 PolarHBondContact O-N 3.36Å; V689-L692 PolarHBondContact O-N 2.93Å; E690-L692 PolarHBondContact O-N 3.23Å; L692-N694 VanDerWaalsContact C-N 3.32Å; L692-N694 PolarHBondContact O-N 3.11Å; L692-V695 PolarHBondContact O-N 3.07Å; L692-L696 HydrophobicContact CD1-CD1 4.34Å; L692-L696 HydrophobicContact CD1-CG 4.26Å; L692-L696 HydrophobicContact CG-CD1 4.07Å; L692-L696 HydrophobicContact CG-CG 4.47Å; L692-L696 VanDerWaalsContact O-CG 3.24Å; L692-L696 WeakPolarHBondContact O-CG 3.49Å; L692-L696 PolarHBondContact O-N 3.48Å; L692-V709 HydrophobicContact CD1-CG1 3.93Å; L692-V709 HydrophobicContact CD1-CG2 4.44Å; L692-V709 HydrophobicContact CD2-CG1 4.08Å |
| 693 | T | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 173.9 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | Y382 K391 D392 V689 E690 V695 L696 D697 | Y382-T693 PolarHBondContact OH-O 3.49Å; K391-T693 HydrophobicContact CB-CG2 3.98Å; K391-T693 HydrophobicContact CD-CG2 4.15Å; D392-T693 PolarHBondContact OD1-OG1 3.35Å; V689-T693 PolarHBondContact O-N 3.03Å; V689-T693 PolarHBondContact O-OG1 2.98Å; E690-T693 PolarHBondContact O-N 3.37Å; T693-V695 PolarHBondContact O-N 2.77Å; T693-L696 PolarHBondContact O-N 3.27Å; T693-D697 WeakPolarHBondContact O-CB 3.37Å; T693-D697 PolarHBondContact O-N 3.43Å |
| 694 | N | 98.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.4 | -39 | 176.9 | -73.7 | -33 | 0 | 0 | 0 | 112.9 | E690 N691 L692 G698 | E690-N694 WeakPolarHBondContact O-CB 3.43Å; E690-N694 VanDerWaalsContact O-CG 3.23Å; E690-N694 PolarHBondContact O-N 2.95Å; E690-N694 PolarHBondContact O-ND2 3.12Å; E690-N694 VanDerWaalsContact O-ND2 3.15Å; N691-N694 PolarHBondContact O-N 3.32Å; L692-N694 VanDerWaalsContact C-N 3.32Å; L692-N694 PolarHBondContact O-N 3.11Å; N694-G698 PolarHBondContact O-N 3.17Å |
| 695 | V | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 174.5 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | L651 L652 L655 N691 L692 T693 G698 Y699 M763 | L651-V695 HydrophobicContact CD2-CG1 4.23Å; L652-V695 HydrophobicContact CD2-CG2 4.08Å; L655-V695 HydrophobicContact CD1-CG1 3.47Å; L655-V695 VanDerWaalsContact CD1-CG1 3.47Å; N691-V695 WeakPolarHBondContact O-CB 3.32Å; N691-V695 VanDerWaalsContact O-CG2 3.24Å; N691-V695 WeakPolarHBondContact O-CG2 3.47Å; N691-V695 PolarHBondContact O-N 2.86Å; L692-V695 PolarHBondContact O-N 3.07Å; T693-V695 PolarHBondContact O-N 2.77Å; V695-G698 PolarHBondContact O-N 3.47Å; V695-Y699 VanDerWaalsContact O-CB 3.29Å; V695-Y699 WeakPolarHBondContact O-CB 3.15Å; V695-Y699 PolarHBondContact O-N 3.34Å; V695-M763 HydrophobicContact CG2-SD 4.32Å |
| 696 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -47.3 | 178.5 | -67.4 | 166 | 0 | 0 | 0 | 111.1 | Y382 Y406 L692 T693 Y699 F700 L707 V709 | Y382-L696 HydrophobicContact CE1-CB 3.96Å; Y382-L696 HydrophobicContact CE2-CB 3.86Å; Y382-L696 HydrophobicContact CE2-CD1 3.98Å; Y382-L696 HydrophobicContact CE2-CG 4.48Å; Y382-L696 VanDerWaalsContact CZ-CB 3.5Å; Y382-L696 WeakPolarHBondContact OH-CB 3.19Å; Y406-L696 HydrophobicContact CD1-CD1 4.21Å; Y406-L696 HydrophobicContact CD1-CD2 4.23Å; Y406-L696 HydrophobicContact CD2-CD2 3.85Å; Y406-L696 HydrophobicContact CE1-CD1 3.77Å; Y406-L696 HydrophobicContact CE1-CD2 4.5Å; Y406-L696 HydrophobicContact CE2-CD1 4.19Å; Y406-L696 HydrophobicContact CE2-CD2 4.15Å; Y406-L696 HydrophobicContact CG-CD2 3.88Å; L692-L696 HydrophobicContact CD1-CD1 4.34Å; L692-L696 HydrophobicContact CD1-CG 4.26Å; L692-L696 HydrophobicContact CG-CD1 4.07Å; L692-L696 HydrophobicContact CG-CG 4.47Å; L692-L696 VanDerWaalsContact O-CG 3.24Å; L692-L696 WeakPolarHBondContact O-CG 3.49Å; L692-L696 PolarHBondContact O-N 3.48Å; T693-L696 PolarHBondContact O-N 3.27Å; L696-Y699 PolarHBondContact O-N 3.15Å; L696-F700 HydrophobicContact CB-CD2 4.3Å; L696-F700 HydrophobicContact CB-CE2 4.45Å; L696-F700 HydrophobicContact CD2-CD2 4.4Å; L696-F700 HydrophobicContact CD2-CE2 3.74Å; L696-F700 WeakPolarHBondContact O-CB 3.37Å; L696-F700 WeakPolarHBondContact O-CD2 3.46Å; L696-F700 PolarHBondContact O-N 3.47Å; L696-L707 HydrophobicContact CD2-CD2 3.81Å; L696-V709 HydrophobicContact CD2-CG2 4.39Å |
| 697 | D | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 31.9 Ų | 31.9 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56 | -53 | 175.6 | -78.3 | -10.4 | 0 | 0 | 0 | 110.6 | Y382 S384 K391 T693 Y699 F700 D701 | Y382-D697 VanDerWaalsContact CE1-OD1 3.29Å; Y382-D697 WeakPolarHBondContact CE1-OD1 3.44Å; Y382-D697 VanDerWaalsContact CZ-OD1 3.28Å; Y382-D697 PolarHBondContact OH-OD1 3.45Å; S384-D697 WeakPolarHBondContact CA-OD1 3.4Å; S384-D697 WeakPolarHBondContact CB-OD1 3.16Å; K391-D697 IonicContact NZ-OD1 2.72Å; K391-D697 IonicContact NZ-OD2 2.67Å; K391-D697 PolarHBondContact NZ-OD2 3.23Å; T693-D697 WeakPolarHBondContact O-CB 3.37Å; T693-D697 PolarHBondContact O-N 3.43Å; D697-Y699 VanDerWaalsContact C-N 3.34Å; D697-Y699 PolarHBondContact O-N 2.87Å; D697-F700 PolarHBondContact O-N 2.75Å; D697-D701 WeakPolarHBondContact O-CB 3.46Å; D697-D701 VanDerWaalsContact O-CG 3.25Å; D697-D701 PolarHBondContact O-N 3.43Å |
| 698 | G | 98.1 | Very high | 98.2 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 34% | 0.34 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.3 | -34.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N694 V695 Q702 | N694-G698 PolarHBondContact O-N 3.17Å; V695-G698 PolarHBondContact O-N 3.47Å; G698-Q702 WeakPolarHBondContact O-CG 3.32Å; G698-Q702 PolarHBondContact O-NE2 3.11Å |
| 699 | Y | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.1 | -46.7 | 178.6 | -177.9 | -122 | 0 | 0 | 0 | 112 | L655 L658 T659 N672 V695 L696 D697 Q702 A704 H706 L707 | L655-Y699 HydrophobicContact CB-CD2 3.68Å; L655-Y699 HydrophobicContact CB-CE2 3.99Å; L655-Y699 HydrophobicContact CB-CG 4.49Å; L655-Y699 HydrophobicContact CD2-CD2 3.86Å; L655-Y699 HydrophobicContact CD2-CE1 4.43Å; L655-Y699 HydrophobicContact CD2-CE2 3.76Å; L655-Y699 HydrophobicContact CD2-CG 4.22Å; L655-Y699 HydrophobicContact CG-CD2 4.21Å; L655-Y699 HydrophobicContact CG-CE2 4.45Å; L655-Y699 WeakPolarHBondContact O-CE2 3.29Å; L658-Y699 HydrophobicContact CB-CE2 4.06Å; T659-Y699 HydrophobicContact CG2-CD2 3.66Å; T659-Y699 HydrophobicContact CG2-CE2 3.94Å; N672-Y699 PolarHBondContact ND2-OH 3.43Å; V695-Y699 VanDerWaalsContact O-CB 3.29Å; V695-Y699 WeakPolarHBondContact O-CB 3.15Å; V695-Y699 PolarHBondContact O-N 3.34Å; L696-Y699 PolarHBondContact O-N 3.15Å; D697-Y699 VanDerWaalsContact C-N 3.34Å; D697-Y699 PolarHBondContact O-N 2.87Å; Y699-Q702 PolarHBondContact O-N 3.39Å; Y699-A704 HydrophobicContact CD1-CB 3.88Å; Y699-A704 HydrophobicContact CD2-CB 3.66Å; Y699-A704 HydrophobicContact CE1-CB 3.49Å; Y699-A704 VanDerWaalsContact CE1-CB 3.49Å; Y699-A704 HydrophobicContact CE2-CB 3.26Å; Y699-A704 HydrophobicContact CG-CB 3.98Å; Y699-H706 PolarHBondContact OH-O 2.9Å; Y699-L707 HydrophobicContact CD1-CB 4.24Å; Y699-L707 HydrophobicContact CD1-CD2 4.3Å; Y699-L707 HydrophobicContact CE1-CB 3.93Å; Y699-L707 HydrophobicContact CE1-CD1 4.43Å |
| 700 | F | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -80.5 | -31.4 | -174.9 | -68.6 | -53.8 | 0 | 0 | 0 | 113.4 | Y382 Y406 N408 L696 D697 Q702 G703 A704 L707 | Y382-F700 HydrophobicContact CD1-CB 4.02Å; Y382-F700 AromaticContact CD1-CD2 3.25Å; Y382-F700 HydrophobicContact CD1-CD2 3.25Å; Y382-F700 AromaticContact CD1-CE2 4Å; Y382-F700 HydrophobicContact CD1-CE2 4Å; Y382-F700 AromaticContact CD1-CG 3.95Å; Y382-F700 HydrophobicContact CD1-CG 3.95Å; Y382-F700 AromaticContact CE1-CD2 3.88Å; Y382-F700 HydrophobicContact CE1-CD2 3.88Å; Y382-F700 AromaticContact CG-CD2 3.67Å; Y382-F700 HydrophobicContact CG-CD2 3.67Å; Y382-F700 AromaticContact CG-CE2 3.93Å; Y382-F700 HydrophobicContact CG-CE2 3.93Å; Y406-F700 HydrophobicContact CG-CE2 4.4Å; N408-F700 HydrophobicContact CB-CD1 3.5Å; N408-F700 VanDerWaalsContact CB-CD1 3.5Å; N408-F700 HydrophobicContact CB-CE1 3.96Å; N408-F700 HydrophobicContact CB-CG 4.27Å; N408-F700 PolarHBondContact ND2-O 3.43Å; L696-F700 HydrophobicContact CB-CD2 4.3Å; L696-F700 HydrophobicContact CB-CE2 4.45Å; L696-F700 HydrophobicContact CD2-CD2 4.4Å; L696-F700 HydrophobicContact CD2-CE2 3.74Å; L696-F700 WeakPolarHBondContact O-CB 3.37Å; L696-F700 WeakPolarHBondContact O-CD2 3.46Å; L696-F700 PolarHBondContact O-N 3.47Å; D697-F700 PolarHBondContact O-N 2.75Å; F700-Q702 PolarHBondContact O-N 2.77Å; F700-G703 PolarHBondContact O-N 2.92Å; F700-A704 WeakPolarHBondContact CD1-O 3.35Å; F700-L707 HydrophobicContact CZ-CB 3.94Å |
| 701 | D | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 20.6 Ų | 20.6 | 52% | 0.524 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.2 | 172.7 | -78 | -9.6 | 0 | 0 | 0 | 112.4 | S384 D697 G703 | S384-D701 WeakPolarHBondContact CB-OD1 3.06Å; S384-D701 PolarHBondContact OG-OD1 2.69Å; D697-D701 WeakPolarHBondContact O-CB 3.46Å; D697-D701 VanDerWaalsContact O-CG 3.25Å; D697-D701 PolarHBondContact O-N 3.43Å; D701-G703 VanDerWaalsContact C-N 3.29Å |
| 702 | Q | 97.5 | Very high | 98 | Very high | 91 Ų | 91 | 19.6 Ų | 19.6 | 43% | 0.425 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 1.5 | 174.2 | -69.9 | -176.4 | 79.2 | 0 | 0 | 113.8 | N656 T659 G698 Y699 F700 | N656-Q702 PolarHBondContact OD1-NE2 3.17Å; T659-Q702 HydrophobicContact CG2-CB 3.61Å; T659-Q702 HydrophobicContact CG2-CG 4.45Å; G698-Q702 WeakPolarHBondContact O-CG 3.32Å; G698-Q702 PolarHBondContact O-NE2 3.11Å; Y699-Q702 PolarHBondContact O-N 3.39Å; F700-Q702 PolarHBondContact O-N 2.77Å |
| 703 | G | 96.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 20 Ų | 20 | 24% | 0.237 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 12 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F700 D701 | F700-G703 PolarHBondContact O-N 2.92Å; D701-G703 VanDerWaalsContact C-N 3.29Å |
| 704 | A | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | trans | -66.2 | 152.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N408 T659 Y699 F700 | N408-A704 WeakPolarHBondContact CB-O 3.43Å; N408-A704 PolarHBondContact ND2-O 3.34Å; T659-A704 HydrophobicContact CG2-CB 4.04Å; Y699-A704 HydrophobicContact CD1-CB 3.88Å; Y699-A704 HydrophobicContact CD2-CB 3.66Å; Y699-A704 HydrophobicContact CE1-CB 3.49Å; Y699-A704 VanDerWaalsContact CE1-CB 3.49Å; Y699-A704 HydrophobicContact CE2-CB 3.26Å; Y699-A704 HydrophobicContact CG-CB 3.98Å; F700-A704 WeakPolarHBondContact CD1-O 3.35Å | ||
| 705 | H | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | trans | -85.6 | -57.4 | -170.1 | -179.2 | -99.1 | 0 | 0 | 0 | 114.6 | E407 N408 V426 Y663 I670 | E407-H705 CarbonylContact C-O 3.4Å; E407-H705 VanDerWaalsContact CA-O 3.32Å; E407-H705 WeakPolarHBondContact CA-O 3.38Å; E407-H705 IonicContact OE2-CE1 3.67Å; E407-H705 PolarHBondContact OE2-CE1 3.34Å; E407-H705 IonicContact OE2-ND1 3.41Å; E407-H705 IonicContact OE2-NE2 2.77Å; N408-H705 WeakPolarHBondContact CB-O 3.34Å; N408-H705 PolarHBondContact N-O 3.46Å; V426-H705 PolarHBondContact O-CE1 3.48Å; Y663-H705 HydrophobicContact CD2-CB 4.19Å; Y663-H705 AromaticContact CD2-CD2 3.18Å; Y663-H705 WeakPolarHBondContact CD2-CD2 3.42Å; Y663-H705 AromaticContact CD2-CG 3.77Å; Y663-H705 AromaticContact CD2-NE2 3.84Å; Y663-H705 AromaticContact CE2-CD2 3.07Å; Y663-H705 WeakPolarHBondContact CE2-CD2 3Å; Y663-H705 AromaticContact CE2-CG 3.97Å; Y663-H705 AromaticContact CE2-NE2 3.23Å; Y663-H705 WeakPolarHBondContact CE2-NE2 3.22Å; Y663-H705 AromaticContact CG-CD2 3.77Å; Y663-H705 AromaticContact CZ-CD2 3.58Å; Y663-H705 AromaticContact CZ-NE2 3.6Å; I670-H705 HydrophobicContact CB-CB 4.03Å; I670-H705 HydrophobicContact CD1-CB 4.5Å; I670-H705 PolarHBondContact N-ND1 2.89Å | ||
| 706 | H | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 149 | -169.3 | 151.6 | -69.9 | 0 | 0 | 0 | 111.3 | Q405 Y406 E407 V426 I670 N672 Y699 N708 | Q405-H706 PolarHBondContact OE1-NE2 3.43Å; Q405-H706 VanDerWaalsContact OE1-NE2 3.11Å; Y406-H706 CarbonylContact O-C 3.32Å; Y406-H706 VanDerWaalsContact O-CA 3.28Å; Y406-H706 WeakPolarHBondContact O-CA 3.48Å; E407-H706 HydrophobicContact CG-CB 3.91Å; V426-H706 HydrophobicContact CG1-CB 3.71Å; V426-H706 WeakPolarHBondContact CG1-CD2 3.28Å; I670-H706 WeakPolarHBondContact O-CB 3.41Å; N672-H706 WeakPolarHBondContact CB-O 3.31Å; N672-H706 PolarHBondContact N-ND1 3.18Å; N672-H706 VanDerWaalsContact N-ND1 3.14Å; N672-H706 PolarHBondContact O-CE1 3.01Å; N672-H706 PolarHBondContact O-ND1 2.94Å; Y699-H706 PolarHBondContact OH-O 2.9Å; H706-N708 PolarHBondContact CE1-N 3.47Å; H706-N708 VanDerWaalsContact CE1-N 3.34Å; H706-N708 PolarHBondContact CE1-ND2 3.48Å; H706-N708 VanDerWaalsContact CE1-ND2 3.27Å; H706-N708 PolarHBondContact NE2-ND2 2.67Å |
| 707 | L | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 123.6 | 171.3 | -171.9 | 62.3 | 0 | 0 | 0 | 111.8 | Y406 L655 N672 Q674 L696 Y699 F700 V709 | Y406-L707 PolarHBondContact N-O 3.18Å; Y406-L707 PolarHBondContact O-N 3.48Å; L655-L707 HydrophobicContact CD2-CD1 3.81Å; L655-L707 HydrophobicContact CD2-CD2 4.44Å; N672-L707 HydrophobicContact CB-CD1 4.43Å; N672-L707 VanDerWaalsContact ND2-CD1 3.27Å; N672-L707 WeakPolarHBondContact ND2-CD1 3.24Å; Q674-L707 HydrophobicContact CB-CD1 3.96Å; Q674-L707 HydrophobicContact CG-CD1 3.63Å; L696-L707 HydrophobicContact CD2-CD2 3.81Å; Y699-L707 HydrophobicContact CD1-CB 4.24Å; Y699-L707 HydrophobicContact CD1-CD2 4.3Å; Y699-L707 HydrophobicContact CE1-CB 3.93Å; Y699-L707 HydrophobicContact CE1-CD1 4.43Å; F700-L707 HydrophobicContact CZ-CB 3.94Å; L707-V709 HydrophobicContact CD2-CG2 3.78Å; L707-V709 HydrophobicContact CG-CG2 3.82Å |
| 708 | N | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 134.2 | 156.5 | -78.2 | -51.1 | 0 | 0 | 0 | 109.3 | Q405 N672 T673 Q674 H706 R735 G738 | Q405-N708 WeakPolarHBondContact CB-OD1 3.45Å; Q405-N708 PolarHBondContact OE1-OD1 3.25Å; N672-N708 PolarHBondContact O-N 3.08Å; T673-N708 HydrophobicContact CG2-CB 3.93Å; T673-N708 PolarHBondContact OG1-ND2 2.84Å; T673-N708 VanDerWaalsContact OG1-ND2 3.15Å; Q674-N708 PolarHBondContact N-O 2.73Å; H706-N708 PolarHBondContact CE1-N 3.47Å; H706-N708 VanDerWaalsContact CE1-N 3.34Å; H706-N708 PolarHBondContact CE1-ND2 3.48Å; H706-N708 VanDerWaalsContact CE1-ND2 3.27Å; H706-N708 PolarHBondContact NE2-ND2 2.67Å; N708-R735 HydrophobicContact CB-CB 3.52Å; N708-R735 HydrophobicContact CB-CG 3.98Å; N708-R735 PolarHBondContact OD1-NE 2.72Å; N708-R735 PolarHBondContact OD1-NH2 3.16Å; N708-G738 VanDerWaalsContact ND2-CA 3.28Å; N708-G738 WeakPolarHBondContact ND2-CA 3.19Å; N708-G738 PolarHBondContact ND2-N 2.98Å |
| 709 | V | 97.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.6 | -179.8 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | Y406 L692 L696 L707 V711 | Y406-V709 HydrophobicContact CD2-CG2 3.82Å; Y406-V709 HydrophobicContact CE2-CB 4.29Å; Y406-V709 HydrophobicContact CE2-CG2 3.73Å; L692-V709 HydrophobicContact CD1-CG1 3.93Å; L692-V709 HydrophobicContact CD1-CG2 4.44Å; L692-V709 HydrophobicContact CD2-CG1 4.08Å; L696-V709 HydrophobicContact CD2-CG2 4.39Å; L707-V709 HydrophobicContact CD2-CG2 3.78Å; L707-V709 HydrophobicContact CG-CG2 3.82Å; V709-V711 HydrophobicContact CG1-CG2 3.84Å |
| 710 | N | 98 | Very high | 97 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.3 | 169.5 | -75.5 | -39.8 | 0 | 0 | 0 | 109.4 | Q674 S675 I676 F712 R735 | Q674-N710 PolarHBondContact O-N 2.74Å; S675-N710 WeakPolarHBondContact CA-O 3.28Å; S675-N710 WeakPolarHBondContact OG-CB 3.3Å; S675-N710 PolarHBondContact OG-ND2 3.44Å; I676-N710 PolarHBondContact N-O 3.32Å; N710-F712 HydrophobicContact CB-CD1 4.24Å; N710-F712 HydrophobicContact CB-CE1 3.48Å; N710-F712 VanDerWaalsContact CB-CE1 3.48Å; N710-F712 HydrophobicContact CB-CE2 4.34Å; N710-F712 HydrophobicContact CB-CZ 3.54Å; N710-F712 VanDerWaalsContact CG-CZ 3.5Å; N710-F712 WeakPolarHBondContact OD1-CE1 3.45Å; N710-R735 PolarHBondContact ND2-O 3.28Å; N710-R735 WeakPolarHBondContact OD1-CB 3.24Å; N710-R735 PolarHBondContact OD1-N 3.02Å |
| 711 | V | 97.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 6% | 0.055 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 81.4 | -179.6 | -169.9 | 0 | 0 | 0 | 0 | 109.4 | I399 S402 I676 P678 L681 V709 | I399-V711 HydrophobicContact CG1-CG1 4.38Å; I399-V711 HydrophobicContact CG1-CG2 4.2Å; I399-V711 HydrophobicContact CG2-CG1 4.32Å; S402-V711 PolarHBondContact OG-N 2.86Å; I676-V711 HydrophobicContact CG2-CG2 4.25Å; I676-V711 WeakPolarHBondContact O-CA 3.47Å; P678-V711 HydrophobicContact CB-CG1 4.38Å; P678-V711 HydrophobicContact CG-CG1 4.17Å; L681-V711 HydrophobicContact CD2-CG1 4.19Å; L681-V711 HydrophobicContact CD2-CG2 4.41Å; V709-V711 HydrophobicContact CG1-CG2 3.84Å |
| 712 | F | 95.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -162.5 | 156.2 | 177 | 46.9 | -101.3 | 0 | 0 | 0 | 111 | S402 I676 N710 K716 L717 F732 I734 F759 | S402-F712 WeakPolarHBondContact OG-CD1 3.36Å; I676-F712 PolarHBondContact O-N 2.81Å; N710-F712 HydrophobicContact CB-CD1 4.24Å; N710-F712 HydrophobicContact CB-CE1 3.48Å; N710-F712 VanDerWaalsContact CB-CE1 3.48Å; N710-F712 HydrophobicContact CB-CE2 4.34Å; N710-F712 HydrophobicContact CB-CZ 3.54Å; N710-F712 VanDerWaalsContact CG-CZ 3.5Å; N710-F712 WeakPolarHBondContact OD1-CE1 3.45Å; F712-K716 HydrophobicContact CB-CD 4.3Å; F712-L717 HydrophobicContact CD2-CD2 4.01Å; F712-L717 HydrophobicContact CD2-CG 4.2Å; F712-L717 HydrophobicContact CE2-CD1 3.99Å; F712-L717 HydrophobicContact CE2-CD2 3.67Å; F712-L717 HydrophobicContact CE2-CG 3.94Å; F712-L717 HydrophobicContact CZ-CD2 4.31Å; F712-F732 HydrophobicContact CD1-CE2 4.26Å; F712-F732 HydrophobicContact CD1-CZ 4Å; F712-F732 HydrophobicContact CD2-CZ 4.44Å; F712-F732 HydrophobicContact CE1-CZ 4.25Å; F712-F732 HydrophobicContact CG-CZ 4.1Å; F712-I734 HydrophobicContact CE1-CB 4.25Å; F712-I734 HydrophobicContact CE1-CG2 3.63Å; F712-I734 HydrophobicContact CE2-CG2 4.26Å; F712-I734 HydrophobicContact CZ-CB 3.95Å; F712-I734 HydrophobicContact CZ-CG2 3.41Å; F712-I734 VanDerWaalsContact CZ-CG2 3.41Å; F712-F759 AromaticContact CD2-CE1 3.99Å; F712-F759 HydrophobicContact CD2-CE1 3.99Å; F712-F759 AromaticContact CE2-CE1 3.76Å; F712-F759 HydrophobicContact CE2-CE1 3.76Å; F712-F759 HydrophobicContact CE2-CZ 4.44Å | ||
| 713 | G | 92.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | trans | -80 | 153.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N677 E715 K716 | N677-G713 WeakPolarHBondContact OD1-CA 3.17Å; G713-E715 PolarHBondContact O-N 3.27Å; G713-K716 WeakPolarHBondContact O-CB 3.31Å; G713-K716 PolarHBondContact O-N 3.28Å; G713-K716 VanDerWaalsContact O-N 3.15Å | ||
| 714 | K | 94.4 | Very high | 96.6 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.7 | -32.8 | 176.4 | -176.9 | 173.1 | -179.2 | 156.5 | 0 | 112.3 | K716 L717 I718 I755 F759 | K714-K716 VanDerWaalsContact C-N 3.27Å; K714-K716 PolarHBondContact O-N 3.37Å; K714-L717 WeakPolarHBondContact O-CB 3.48Å; K714-L717 PolarHBondContact O-N 3.09Å; K714-L717 VanDerWaalsContact O-N 3.14Å; K714-I718 HydrophobicContact CG-CD1 4.17Å; K714-I718 PolarHBondContact O-N 3.07Å; K714-I718 VanDerWaalsContact O-N 3.11Å; K714-I755 HydrophobicContact CD-CG2 4.49Å; K714-I755 VanDerWaalsContact CE-CG2 3.41Å; K714-I755 WeakPolarHBondContact CE-O 3.37Å; K714-I755 HydrophobicContact CG-CG2 4.35Å; K714-I755 PolarHBondContact NZ-O 3.13Å; K714-F759 HydrophobicContact CB-CD1 4.37Å; K714-F759 HydrophobicContact CB-CD2 4.17Å; K714-F759 HydrophobicContact CB-CE2 4.37Å; K714-F759 HydrophobicContact CB-CG 4.2Å; K714-F759 HydrophobicContact CD-CD2 4.37Å; K714-F759 HydrophobicContact CG-CD2 4.41Å; K714-F759 HydrophobicContact CG-CE2 4.34Å |
| 715 | E | 95.2 | Very high | 96.4 | Very high | 136 Ų | 136 | 41.1 Ų | 41.1 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.6 | -36.2 | 179.5 | -63.3 | 70.7 | -155 | 0 | 0 | 111.8 | G713 L717 I718 D719 | G713-E715 PolarHBondContact O-N 3.27Å; E715-L717 VanDerWaalsContact C-N 3.33Å; E715-L717 PolarHBondContact O-N 2.95Å; E715-I718 PolarHBondContact O-N 3.45Å; E715-D719 PolarHBondContact O-N 3.35Å |
| 716 | K | 95.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 44.1 Ų | 44.1 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 177 | -171.2 | 172.6 | -176.4 | 175.9 | 0 | 111.5 | F712 G713 K714 A720 Y729 F732 | F712-K716 HydrophobicContact CB-CD 4.3Å; G713-K716 WeakPolarHBondContact O-CB 3.31Å; G713-K716 PolarHBondContact O-N 3.28Å; G713-K716 VanDerWaalsContact O-N 3.15Å; K714-K716 VanDerWaalsContact C-N 3.27Å; K714-K716 PolarHBondContact O-N 3.37Å; K716-A720 WeakPolarHBondContact O-CB 3.15Å; K716-A720 PolarHBondContact O-N 3.05Å; K716-Y729 HydrophobicContact CG-CE1 4.21Å; K716-F732 HydrophobicContact CD-CE2 3.89Å; K716-F732 HydrophobicContact CD-CZ 3.94Å; K716-F732 VanDerWaalsContact CE-CE2 3.49Å; K716-F732 HydrophobicContact CG-CZ 4.2Å |
| 717 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 175 | -59.8 | -165.9 | 0 | 0 | 0 | 111.8 | F712 K714 E715 A720 M721 F732 I734 F743 V754 I755 F759 | F712-L717 HydrophobicContact CD2-CD2 4.01Å; F712-L717 HydrophobicContact CD2-CG 4.2Å; F712-L717 HydrophobicContact CE2-CD1 3.99Å; F712-L717 HydrophobicContact CE2-CD2 3.67Å; F712-L717 HydrophobicContact CE2-CG 3.94Å; F712-L717 HydrophobicContact CZ-CD2 4.31Å; K714-L717 WeakPolarHBondContact O-CB 3.48Å; K714-L717 PolarHBondContact O-N 3.09Å; K714-L717 VanDerWaalsContact O-N 3.14Å; E715-L717 VanDerWaalsContact C-N 3.33Å; E715-L717 PolarHBondContact O-N 2.95Å; L717-A720 PolarHBondContact O-N 2.95Å; L717-M721 WeakPolarHBondContact O-CB 3.49Å; L717-M721 PolarHBondContact O-N 3.39Å; L717-F732 HydrophobicContact CD2-CE1 3.52Å; L717-F732 HydrophobicContact CD2-CZ 3.93Å; L717-I734 HydrophobicContact CD2-CG2 4.21Å; L717-F743 HydrophobicContact CB-CE1 4.33Å; L717-F743 HydrophobicContact CB-CE2 4.38Å; L717-F743 HydrophobicContact CB-CZ 3.95Å; L717-F743 HydrophobicContact CD1-CE2 4.31Å; L717-F743 HydrophobicContact CD2-CD2 4.19Å; L717-F743 HydrophobicContact CD2-CE2 4.2Å; L717-F743 HydrophobicContact CD2-CG 4.37Å; L717-F743 HydrophobicContact CD2-CZ 4.4Å; L717-F743 WeakPolarHBondContact O-CE1 3.42Å; L717-V754 HydrophobicContact CD1-CG1 3.71Å; L717-I755 HydrophobicContact CB-CD1 4.2Å; L717-I755 HydrophobicContact CB-CG1 3.78Å; L717-I755 HydrophobicContact CD1-CG1 3.96Å; L717-F759 HydrophobicContact CD1-CE1 4.11Å; L717-F759 HydrophobicContact CD1-CZ 3.55Å; L717-F759 HydrophobicContact CG-CZ 4.47Å |
| 718 | I | 97 | Very high | 95.5 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 177.5 | -65.6 | 168.3 | 0 | 0 | 0 | 109.9 | K714 E715 M721 E722 I755 | K714-I718 HydrophobicContact CG-CD1 4.17Å; K714-I718 PolarHBondContact O-N 3.07Å; K714-I718 VanDerWaalsContact O-N 3.11Å; E715-I718 PolarHBondContact O-N 3.45Å; I718-M721 PolarHBondContact O-N 2.66Å; I718-E722 WeakPolarHBondContact O-CG 3.37Å; I718-E722 PolarHBondContact O-N 2.51Å; I718-I755 HydrophobicContact CG1-CD1 4.41Å; I718-I755 HydrophobicContact CG1-CG2 4.48Å |
| 719 | D | 97.5 | Very high | 95.3 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.6 | -173.4 | 71.4 | 0 | 0 | 0 | 112 | E715 M721 E722 H723 K726 Y729 | E715-D719 PolarHBondContact O-N 3.35Å; D719-M721 VanDerWaalsContact C-N 3.3Å; D719-M721 PolarHBondContact O-N 2.95Å; D719-E722 PolarHBondContact O-N 3.06Å; D719-H723 WeakPolarHBondContact O-CA 3.46Å; D719-H723 WeakPolarHBondContact O-CB 3.42Å; D719-H723 PolarHBondContact O-N 2.9Å; D719-H723 IonicContact OD1-CD2 3.64Å; D719-H723 PolarHBondContact OD1-CD2 3.29Å; D719-K726 IonicContact OD1-NZ 2.69Å; D719-K726 PolarHBondContact OD1-NZ 3.5Å; D719-K726 IonicContact OD2-NZ 3.72Å; D719-K726 PolarHBondContact OD2-NZ 3.11Å; D719-Y729 WeakPolarHBondContact OD2-CE2 3.2Å; D719-Y729 VanDerWaalsContact OD2-CZ 3.23Å; D719-Y729 PolarHBondContact OD2-OH 3.34Å |
| 720 | A | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -31.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K716 L717 P724 Y729 F732 F743 | K716-A720 WeakPolarHBondContact O-CB 3.15Å; K716-A720 PolarHBondContact O-N 3.05Å; L717-A720 PolarHBondContact O-N 2.95Å; A720-P724 WeakPolarHBondContact O-CA 3.2Å; A720-Y729 VanDerWaalsContact CA-CE2 3.46Å; A720-Y729 HydrophobicContact CB-CD1 3.78Å; A720-Y729 HydrophobicContact CB-CD2 3.77Å; A720-Y729 HydrophobicContact CB-CE1 3.92Å; A720-Y729 HydrophobicContact CB-CE2 3.87Å; A720-Y729 HydrophobicContact CB-CG 3.73Å; A720-F732 HydrophobicContact CB-CD1 4.47Å; A720-F743 HydrophobicContact CB-CD1 3.63Å; A720-F743 HydrophobicContact CB-CE1 3.9Å |
| 721 | M | 96.3 | Very high | 94.8 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73 | -34 | 177.6 | -179.5 | 177.1 | 67.1 | 0 | 0 | 112 | L717 I718 D719 F743 R748 Q751 E752 I755 | L717-M721 WeakPolarHBondContact O-CB 3.49Å; L717-M721 PolarHBondContact O-N 3.39Å; I718-M721 PolarHBondContact O-N 2.66Å; D719-M721 VanDerWaalsContact C-N 3.3Å; D719-M721 PolarHBondContact O-N 2.95Å; M721-F743 HydrophobicContact CB-CE1 3.9Å; M721-F743 HydrophobicContact CB-CZ 4.24Å; M721-R748 PolarHBondContact SD-NE 3.34Å; M721-R748 VanDerWaalsContact SD-NE 3.44Å; M721-Q751 HydrophobicContact CG-CB 4.48Å; M721-Q751 HydrophobicContact SD-CB 4.14Å; M721-E752 HydrophobicContact SD-CG 4.38Å; M721-I755 HydrophobicContact CB-CD1 4.39Å; M721-I755 HydrophobicContact CE-CD1 3.69Å; M721-I755 HydrophobicContact SD-CD1 3.54Å; M721-I755 VanDerWaalsContact SD-CD1 3.54Å |
| 722 | E | 96.8 | Very high | 94.8 | Very high | 96 Ų | 96 | 60.8 Ų | 60.8 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -89.1 | -27.1 | 178.8 | -63.4 | -56.2 | 133.8 | 0 | 0 | 113.3 | I718 D719 P724 R748 | I718-E722 WeakPolarHBondContact O-CG 3.37Å; I718-E722 PolarHBondContact O-N 2.51Å; D719-E722 PolarHBondContact O-N 3.06Å; E722-P724 VanDerWaalsContact C-CD 3.4Å; E722-R748 IonicContact OE1-CZ 3.7Å; E722-R748 VanDerWaalsContact OE1-CZ 3.26Å; E722-R748 IonicContact OE1-NH1 3.25Å; E722-R748 PolarHBondContact OE1-NH1 2.9Å; E722-R748 IonicContact OE1-NH2 3.51Å; E722-R748 PolarHBondContact OE1-NH2 3.27Å |
| 723 | H | 96 | Very high | 94.9 | Very high | 76 Ų | 76 | 60.5 Ų | 60.5 | 35% | 0.352 | 30% | 0.295 | S | S | . | . | trans | -127.7 | 55.5 | -176.9 | -61.1 | -65.4 | 0 | 0 | 0 | 113.2 | D719 E725 K726 Y729 | D719-H723 WeakPolarHBondContact O-CA 3.46Å; D719-H723 WeakPolarHBondContact O-CB 3.42Å; D719-H723 PolarHBondContact O-N 2.9Å; D719-H723 IonicContact OD1-CD2 3.64Å; D719-H723 PolarHBondContact OD1-CD2 3.29Å; H723-E725 VanDerWaalsContact CA-OE2 3.26Å; H723-E725 WeakPolarHBondContact CA-OE2 3.46Å; H723-E725 IonicContact CG-OE1 3.64Å; H723-E725 IonicContact ND1-OE1 3.47Å; H723-E725 PolarHBondContact ND1-OE1 2.85Å; H723-E725 PolarHBondContact O-N 2.92Å; H723-K726 HydrophobicContact CB-CD 4.04Å; H723-K726 HydrophobicContact CB-CG 4.07Å; H723-K726 PolarHBondContact O-N 3.18Å; H723-Y729 WeakPolarHBondContact O-CD2 3.5Å | ||
| 724 | P | 94 | Very high | 95.1 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.4 | -177.1 | 29.4 | -37.1 | 0 | 0 | 0 | 113.7 | A720 E722 K726 I744 | A720-P724 WeakPolarHBondContact O-CA 3.2Å; E722-P724 VanDerWaalsContact C-CD 3.4Å; P724-K726 VanDerWaalsContact C-N 3.3Å; P724-K726 PolarHBondContact O-N 3.26Å; P724-I744 HydrophobicContact CB-CB 4.37Å; P724-I744 HydrophobicContact CB-CG2 3.88Å |
| 725 | E | 93.2 | Very high | 95.2 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -16 | 177.4 | 74 | -74.5 | 175.9 | 0 | 0 | 114.5 | H723 E727 | H723-E725 VanDerWaalsContact CA-OE2 3.26Å; H723-E725 WeakPolarHBondContact CA-OE2 3.46Å; H723-E725 IonicContact CG-OE1 3.64Å; H723-E725 IonicContact ND1-OE1 3.47Å; H723-E725 PolarHBondContact ND1-OE1 2.85Å; H723-E725 PolarHBondContact O-N 2.92Å; E725-E727 PolarHBondContact O-N 3.15Å |
| 726 | K | 94.4 | Very high | 95.2 | Very high | 68 Ų | 68 | 49.9 Ų | 49.9 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -65.6 | 135 | 179.6 | -66.1 | -177.5 | -171.4 | 169.6 | 0 | 110.4 | D719 H723 P724 E728 Y729 | D719-K726 IonicContact OD1-NZ 2.69Å; D719-K726 PolarHBondContact OD1-NZ 3.5Å; D719-K726 IonicContact OD2-NZ 3.72Å; D719-K726 PolarHBondContact OD2-NZ 3.11Å; H723-K726 HydrophobicContact CB-CD 4.04Å; H723-K726 HydrophobicContact CB-CG 4.07Å; H723-K726 PolarHBondContact O-N 3.18Å; P724-K726 VanDerWaalsContact C-N 3.3Å; P724-K726 PolarHBondContact O-N 3.26Å; K726-E728 VanDerWaalsContact C-N 3.26Å; K726-E728 HydrophobicContact CB-CG 4.1Å; K726-E728 PolarHBondContact O-N 2.99Å; K726-Y729 HydrophobicContact CB-CD2 3.78Å; K726-Y729 HydrophobicContact CB-CE2 4.18Å; K726-Y729 HydrophobicContact CD-CD2 4.22Å; K726-Y729 HydrophobicContact CD-CE2 3.77Å; K726-Y729 HydrophobicContact CG-CD2 4.43Å; K726-Y729 HydrophobicContact CG-CE2 4.45Å; K726-Y729 PolarHBondContact O-N 3.26Å |
| 727 | E | 90 | Very high | 95 | Very high | 181 Ų | 181 | 45.8 Ų | 45.8 | 85% | 0.846 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -60 | -35.6 | -176.2 | -172.9 | 169.2 | -167.6 | 0 | 0 | 112.8 | E725 Y729 A730 | E725-E727 PolarHBondContact O-N 3.15Å; E727-Y729 PolarHBondContact O-N 3.14Å; E727-Y729 VanDerWaalsContact O-N 3.15Å; E727-A730 VanDerWaalsContact O-CB 3.31Å; E727-A730 WeakPolarHBondContact O-CB 3.28Å; E727-A730 PolarHBondContact O-N 2.92Å; E727-A730 VanDerWaalsContact O-N 3.12Å |
| 728 | E | 92.2 | Very high | 94.4 | Very high | 123 Ų | 123 | 45.8 Ų | 45.8 | 58% | 0.575 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -59.9 | -23.9 | 175.9 | 66.7 | -178 | 144.1 | 0 | 0 | 113.7 | K726 | K726-E728 VanDerWaalsContact C-N 3.26Å; K726-E728 HydrophobicContact CB-CG 4.1Å; K726-E728 PolarHBondContact O-N 2.99Å |
| 729 | Y | 94.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -94.5 | -8.9 | 180 | -59.2 | -39.5 | 0 | 0 | 0 | 114.1 | K716 D719 A720 H723 K726 E727 N731 F732 | K716-Y729 HydrophobicContact CG-CE1 4.21Å; D719-Y729 WeakPolarHBondContact OD2-CE2 3.2Å; D719-Y729 VanDerWaalsContact OD2-CZ 3.23Å; D719-Y729 PolarHBondContact OD2-OH 3.34Å; A720-Y729 VanDerWaalsContact CA-CE2 3.46Å; A720-Y729 HydrophobicContact CB-CD1 3.78Å; A720-Y729 HydrophobicContact CB-CD2 3.77Å; A720-Y729 HydrophobicContact CB-CE1 3.92Å; A720-Y729 HydrophobicContact CB-CE2 3.87Å; A720-Y729 HydrophobicContact CB-CG 3.73Å; H723-Y729 WeakPolarHBondContact O-CD2 3.5Å; K726-Y729 HydrophobicContact CB-CD2 3.78Å; K726-Y729 HydrophobicContact CB-CE2 4.18Å; K726-Y729 HydrophobicContact CD-CD2 4.22Å; K726-Y729 HydrophobicContact CD-CE2 3.77Å; K726-Y729 HydrophobicContact CG-CD2 4.43Å; K726-Y729 HydrophobicContact CG-CE2 4.45Å; K726-Y729 PolarHBondContact O-N 3.26Å; E727-Y729 PolarHBondContact O-N 3.14Å; E727-Y729 VanDerWaalsContact O-N 3.15Å; Y729-N731 PolarHBondContact O-N 3.48Å; Y729-N731 VanDerWaalsContact O-N 3.12Å; Y729-F732 HydrophobicContact CD1-CB 3.97Å; Y729-F732 HydrophobicContact CD1-CD1 4.28Å; Y729-F732 HydrophobicContact CD1-CG 4.19Å; Y729-F732 PolarHBondContact O-N 3.35Å |
| 730 | A | 92 | Very high | 94.2 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E727 K742 | E727-A730 VanDerWaalsContact O-CB 3.31Å; E727-A730 WeakPolarHBondContact O-CB 3.28Å; E727-A730 PolarHBondContact O-N 2.92Å; E727-A730 VanDerWaalsContact O-N 3.12Å; A730-K742 WeakPolarHBondContact O-CD 3.13Å; A730-K742 PolarHBondContact O-NZ 3.47Å |
| 731 | N | 93.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 8.7 | 177.5 | -76.8 | -19.8 | 0 | 0 | 0 | 112.6 | Q66 Y729 T733 K742 | Q66-N731 PolarHBondContact NE2-ND2 3.44Å; Y729-N731 PolarHBondContact O-N 3.48Å; Y729-N731 VanDerWaalsContact O-N 3.12Å; N731-T733 PolarHBondContact O-N 3.15Å; N731-T733 PolarHBondContact O-OG1 2.71Å; N731-K742 VanDerWaalsContact OD1-CE 3.32Å; N731-K742 WeakPolarHBondContact OD1-CE 3.12Å; N731-K742 PolarHBondContact OD1-NZ 3.49Å |
| 732 | F | 96.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | trans | -63.7 | 112.5 | 179.8 | 177 | -116.5 | 0 | 0 | 0 | 109.9 | F712 K716 L717 A720 Y729 I734 K742 F743 | F712-F732 HydrophobicContact CD1-CE2 4.26Å; F712-F732 HydrophobicContact CD1-CZ 4Å; F712-F732 HydrophobicContact CD2-CZ 4.44Å; F712-F732 HydrophobicContact CE1-CZ 4.25Å; F712-F732 HydrophobicContact CG-CZ 4.1Å; K716-F732 HydrophobicContact CD-CE2 3.89Å; K716-F732 HydrophobicContact CD-CZ 3.94Å; K716-F732 VanDerWaalsContact CE-CE2 3.49Å; K716-F732 HydrophobicContact CG-CZ 4.2Å; L717-F732 HydrophobicContact CD2-CE1 3.52Å; L717-F732 HydrophobicContact CD2-CZ 3.93Å; A720-F732 HydrophobicContact CB-CD1 4.47Å; Y729-F732 HydrophobicContact CD1-CB 3.97Å; Y729-F732 HydrophobicContact CD1-CD1 4.28Å; Y729-F732 HydrophobicContact CD1-CG 4.19Å; Y729-F732 PolarHBondContact O-N 3.35Å; F732-I734 HydrophobicContact CD1-CG2 4.47Å; F732-I734 HydrophobicContact CE1-CG2 3.78Å; F732-I734 HydrophobicContact CZ-CG2 3.83Å; F732-K742 WeakPolarHBondContact O-CA 3.44Å; F732-F743 HydrophobicContact CD1-CB 3.9Å; F732-F743 HydrophobicContact CE1-CB 4.22Å; F732-F743 PolarHBondContact O-N 3.04Å | ||
| 733 | T | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.3 | -167.5 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | P374 S403 N731 A740 V741 | P374-T733 HydrophobicContact CB-CG2 4.26Å; S403-T733 WeakPolarHBondContact OG-CB 3.45Å; S403-T733 WeakPolarHBondContact OG-CG2 3.37Å; N731-T733 PolarHBondContact O-N 3.15Å; N731-T733 PolarHBondContact O-OG1 2.71Å; T733-A740 HydrophobicContact CG2-CB 3.65Å; T733-V741 WeakPolarHBondContact CA-O 3.15Å |
| 734 | I | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.7 | 178.7 | 61.7 | 157.4 | 0 | 0 | 0 | 110.3 | F712 L717 F732 V736 A740 V741 F743 L746 V754 | F712-I734 HydrophobicContact CE1-CB 4.25Å; F712-I734 HydrophobicContact CE1-CG2 3.63Å; F712-I734 HydrophobicContact CE2-CG2 4.26Å; F712-I734 HydrophobicContact CZ-CB 3.95Å; F712-I734 HydrophobicContact CZ-CG2 3.41Å; F712-I734 VanDerWaalsContact CZ-CG2 3.41Å; L717-I734 HydrophobicContact CD2-CG2 4.21Å; F732-I734 HydrophobicContact CD1-CG2 4.47Å; F732-I734 HydrophobicContact CE1-CG2 3.78Å; F732-I734 HydrophobicContact CZ-CG2 3.83Å; I734-V736 HydrophobicContact CD1-CG1 3.59Å; I734-V736 HydrophobicContact CG1-CG1 3.95Å; I734-A740 CarbonylContact O-C 3.55Å; I734-A740 WeakPolarHBondContact O-CA 3.46Å; I734-V741 HydrophobicContact CD1-CG2 4.24Å; I734-V741 HydrophobicContact CG1-CG2 3.75Å; I734-V741 PolarHBondContact N-O 2.59Å; I734-V741 PolarHBondContact O-N 3.16Å; I734-F743 HydrophobicContact CD1-CB 4.49Å; I734-F743 HydrophobicContact CD1-CD2 3.62Å; I734-F743 HydrophobicContact CD1-CE2 4.39Å; I734-F743 HydrophobicContact CG1-CB 4.37Å; I734-F743 HydrophobicContact CG1-CD2 4.38Å; I734-F743 HydrophobicContact CG2-CB 4.41Å; I734-L746 HydrophobicContact CD1-CD1 4.23Å; I734-V754 HydrophobicContact CD1-CB 4.39Å; I734-V754 HydrophobicContact CD1-CG1 3.63Å; I734-V754 HydrophobicContact CD1-CG2 4.05Å |
| 735 | R | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.7 | 168.7 | -49.9 | -57.6 | -63.5 | 176.4 | 5.4 | 110.2 | N377 S402 S403 I404 Q405 T673 N708 N710 Y739 A740 | N377-R735 VanDerWaalsContact OD1-CZ 3.26Å; N377-R735 PolarHBondContact OD1-NH1 2.91Å; N377-R735 PolarHBondContact OD1-NH2 2.79Å; S402-R735 VanDerWaalsContact O-CD 3.23Å; S402-R735 WeakPolarHBondContact O-CD 3.06Å; S402-R735 VanDerWaalsContact O-CG 3.26Å; S402-R735 WeakPolarHBondContact O-CG 3.45Å; S403-R735 PolarHBondContact O-NH1 3Å; I404-R735 WeakPolarHBondContact O-CD 3.14Å; I404-R735 PolarHBondContact O-NE 3.05Å; Q405-R735 VanDerWaalsContact CG-NH2 3.34Å; T673-R735 WeakPolarHBondContact CG2-O 3.42Å; N708-R735 HydrophobicContact CB-CB 3.52Å; N708-R735 HydrophobicContact CB-CG 3.98Å; N708-R735 PolarHBondContact OD1-NE 2.72Å; N708-R735 PolarHBondContact OD1-NH2 3.16Å; N710-R735 PolarHBondContact ND2-O 3.28Å; N710-R735 WeakPolarHBondContact OD1-CB 3.24Å; N710-R735 PolarHBondContact OD1-N 3.02Å; R735-Y739 VanDerWaalsContact NH2-CA 3.34Å; R735-A740 VanDerWaalsContact NH1-CB 3.3Å |
| 736 | V | 93.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.03 | 13% | 0.129 | C | C | . | . | trans | -124 | -41.1 | -173.9 | -69.1 | 0 | 0 | 0 | 0 | 115.4 | I734 Y739 V741 V754 R757 | I734-V736 HydrophobicContact CD1-CG1 3.59Å; I734-V736 HydrophobicContact CG1-CG1 3.95Å; V736-Y739 HydrophobicContact CG2-CD1 3.98Å; V736-Y739 HydrophobicContact CG2-CD2 4.45Å; V736-Y739 HydrophobicContact CG2-CE1 3.52Å; V736-Y739 HydrophobicContact CG2-CE2 4.07Å; V736-Y739 HydrophobicContact CG2-CG 4.41Å; V736-Y739 PolarHBondContact N-O 3.41Å; V736-V741 HydrophobicContact CG1-CG2 3.68Å; V736-V741 HydrophobicContact CG2-CG1 4.06Å; V736-V741 HydrophobicContact CG2-CG2 4.14Å; V736-V754 HydrophobicContact CG1-CG2 4.03Å; V736-R757 PolarHBondContact O-NH1 2.79Å | ||
| 737 | S | 90.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -168 | 53.4 | -178.1 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | L611 T612 I613 | L611-S737 WeakPolarHBondContact CD1-O 3.19Å; T612-S737 PolarHBondContact OG1-OG 3.13Å; I613-S737 WeakPolarHBondContact CA-OG 3.41Å; I613-S737 WeakPolarHBondContact CD1-O 3.38Å; I613-S737 PolarHBondContact N-OG 3.38Å; I613-S737 VanDerWaalsContact N-OG 3.14Å; I613-S737 PolarHBondContact O-OG 2.92Å |
| 738 | G | 86.4 | Confident | 93.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 88.9 | 11.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N377 Q405 C425 S671 N708 | N377-G738 PolarHBondContact ND2-O 3.24Å; Q405-G738 PolarHBondContact OE1-O 3.44Å; C425-G738 VanDerWaalsContact CA-O 3.3Å; C425-G738 WeakPolarHBondContact CA-O 3.19Å; C425-G738 VanDerWaalsContact CB-O 3.3Å; C425-G738 WeakPolarHBondContact CB-O 3.41Å; C425-G738 PolarHBondContact SG-O 2.83Å; S671-G738 PolarHBondContact OG-N 2.66Å; N708-G738 VanDerWaalsContact ND2-CA 3.28Å; N708-G738 WeakPolarHBondContact ND2-CA 3.19Å; N708-G738 PolarHBondContact ND2-N 2.98Å |
| 739 | Y | 92.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -154.8 | 167.9 | 173.5 | 74 | -69.5 | 0 | 0 | 0 | 109 | S335 P338 W340 I613 R735 V736 V741 | S335-Y739 WeakPolarHBondContact O-CE2 3.46Å; S335-Y739 PolarHBondContact O-OH 2.89Å; S335-Y739 PolarHBondContact OG-OH 2.56Å; P338-Y739 HydrophobicContact CB-CD2 3.78Å; P338-Y739 HydrophobicContact CB-CE2 3.6Å; P338-Y739 HydrophobicContact CG-CE2 4.02Å; W340-Y739 HydrophobicContact CZ2-CD1 4.42Å; W340-Y739 HydrophobicContact CZ2-CE1 4.46Å; W340-Y739 HydrophobicContact CZ2-CG 4.48Å; W340-Y739 VanDerWaalsContact NE1-CB 3.33Å; W340-Y739 AromaticContact NE1-CD1 3.72Å; W340-Y739 AromaticContact NE1-CG 3.43Å; I613-Y739 HydrophobicContact CB-CE1 4.31Å; I613-Y739 HydrophobicContact CD1-CD1 3.76Å; I613-Y739 HydrophobicContact CD1-CE1 3.85Å; I613-Y739 HydrophobicContact CG2-CD1 4.39Å; I613-Y739 HydrophobicContact CG2-CE1 3.44Å; I613-Y739 VanDerWaalsContact CG2-CE1 3.44Å; R735-Y739 VanDerWaalsContact NH2-CA 3.34Å; V736-Y739 HydrophobicContact CG2-CD1 3.98Å; V736-Y739 HydrophobicContact CG2-CD2 4.45Å; V736-Y739 HydrophobicContact CG2-CE1 3.52Å; V736-Y739 HydrophobicContact CG2-CE2 4.07Å; V736-Y739 HydrophobicContact CG2-CG 4.41Å; V736-Y739 PolarHBondContact N-O 3.41Å; Y739-V741 HydrophobicContact CD2-CG1 3.91Å; Y739-V741 HydrophobicContact CE2-CG1 3.25Å |
| 740 | A | 96.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 156.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P374 T733 I734 R735 | P374-A740 VanDerWaalsContact CB-C 3.4Å; P374-A740 HydrophobicContact CB-CB 3.79Å; P374-A740 WeakPolarHBondContact CB-O 3Å; T733-A740 HydrophobicContact CG2-CB 3.65Å; I734-A740 CarbonylContact O-C 3.55Å; I734-A740 WeakPolarHBondContact O-CA 3.46Å; R735-A740 VanDerWaalsContact NH1-CB 3.3Å |
| 741 | V | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 154.1 | 171.9 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | S335 T733 I734 V736 Y739 F743 L746 | S335-V741 WeakPolarHBondContact O-CG1 3.43Å; T733-V741 WeakPolarHBondContact CA-O 3.15Å; I734-V741 HydrophobicContact CD1-CG2 4.24Å; I734-V741 HydrophobicContact CG1-CG2 3.75Å; I734-V741 PolarHBondContact N-O 2.59Å; I734-V741 PolarHBondContact O-N 3.16Å; V736-V741 HydrophobicContact CG1-CG2 3.68Å; V736-V741 HydrophobicContact CG2-CG1 4.06Å; V736-V741 HydrophobicContact CG2-CG2 4.14Å; Y739-V741 HydrophobicContact CD2-CG1 3.91Å; Y739-V741 HydrophobicContact CE2-CG1 3.25Å; V741-F743 PolarHBondContact O-N 3.26Å; V741-L746 HydrophobicContact CB-CD2 4.38Å; V741-L746 HydrophobicContact CG1-CD2 4.45Å; V741-L746 HydrophobicContact CG2-CD1 3.92Å; V741-L746 HydrophobicContact CG2-CD2 3.96Å; V741-L746 HydrophobicContact CG2-CG 3.95Å |
| 742 | K | 95.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 129.4 | 160.7 | -63.9 | -179.8 | 178.8 | -167.2 | 0 | 107.9 | Q69 P374 A730 N731 F732 I744 D745 | Q69-K742 VanDerWaalsContact OE1-NZ 3.09Å; P374-K742 HydrophobicContact CG-CG 4.17Å; A730-K742 WeakPolarHBondContact O-CD 3.13Å; A730-K742 PolarHBondContact O-NZ 3.47Å; N731-K742 VanDerWaalsContact OD1-CE 3.32Å; N731-K742 WeakPolarHBondContact OD1-CE 3.12Å; N731-K742 PolarHBondContact OD1-NZ 3.49Å; F732-K742 WeakPolarHBondContact O-CA 3.44Å; K742-I744 HydrophobicContact CB-CG1 4.46Å; K742-I744 PolarHBondContact O-N 3.47Å; K742-D745 HydrophobicContact CB-CB 4.19Å; K742-D745 WeakPolarHBondContact CB-OD2 3.23Å; K742-D745 WeakPolarHBondContact CD-OD2 3.31Å; K742-D745 PolarHBondContact O-N 3.32Å |
| 743 | F | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -61.4 | -34.6 | -175.3 | -178.8 | -109.5 | 0 | 0 | 0 | 112.5 | L717 A720 M721 F732 I734 V741 D745 L746 Q751 V754 I755 | L717-F743 HydrophobicContact CB-CE1 4.33Å; L717-F743 HydrophobicContact CB-CE2 4.38Å; L717-F743 HydrophobicContact CB-CZ 3.95Å; L717-F743 HydrophobicContact CD1-CE2 4.31Å; L717-F743 HydrophobicContact CD2-CD2 4.19Å; L717-F743 HydrophobicContact CD2-CE2 4.2Å; L717-F743 HydrophobicContact CD2-CG 4.37Å; L717-F743 HydrophobicContact CD2-CZ 4.4Å; L717-F743 WeakPolarHBondContact O-CE1 3.42Å; A720-F743 HydrophobicContact CB-CD1 3.63Å; A720-F743 HydrophobicContact CB-CE1 3.9Å; M721-F743 HydrophobicContact CB-CE1 3.9Å; M721-F743 HydrophobicContact CB-CZ 4.24Å; F732-F743 HydrophobicContact CD1-CB 3.9Å; F732-F743 HydrophobicContact CE1-CB 4.22Å; F732-F743 PolarHBondContact O-N 3.04Å; I734-F743 HydrophobicContact CD1-CB 4.49Å; I734-F743 HydrophobicContact CD1-CD2 3.62Å; I734-F743 HydrophobicContact CD1-CE2 4.39Å; I734-F743 HydrophobicContact CG1-CB 4.37Å; I734-F743 HydrophobicContact CG1-CD2 4.38Å; I734-F743 HydrophobicContact CG2-CB 4.41Å; V741-F743 PolarHBondContact O-N 3.26Å; F743-D745 VanDerWaalsContact C-N 3.25Å; F743-D745 PolarHBondContact O-N 3.37Å; F743-L746 HydrophobicContact CD2-CD1 4.23Å; F743-L746 WeakPolarHBondContact O-CB 3.34Å; F743-L746 PolarHBondContact O-N 2.82Å; F743-Q751 HydrophobicContact CD2-CG 4.32Å; F743-Q751 HydrophobicContact CE1-CG 4.15Å; F743-Q751 HydrophobicContact CE2-CB 3.89Å; F743-Q751 HydrophobicContact CE2-CG 3.77Å; F743-Q751 HydrophobicContact CZ-CB 3.68Å; F743-Q751 HydrophobicContact CZ-CG 3.67Å; F743-Q751 PolarHBondContact O-NE2 3Å; F743-V754 HydrophobicContact CE2-CB 4.44Å; F743-V754 HydrophobicContact CE2-CG1 4.41Å; F743-I755 HydrophobicContact CZ-CD1 4.11Å; F743-I755 HydrophobicContact CZ-CG1 4.35Å |
| 744 | I | 93.4 | Very high | 92.8 | Very high | 28 Ų | 28 | 25.6 Ų | 25.6 | 14% | 0.144 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -73.2 | -15 | 178.7 | 64.5 | 167.3 | 0 | 0 | 0 | 113.8 | P724 K742 L746 | P724-I744 HydrophobicContact CB-CB 4.37Å; P724-I744 HydrophobicContact CB-CG2 3.88Å; K742-I744 HydrophobicContact CB-CG1 4.46Å; K742-I744 PolarHBondContact O-N 3.47Å; I744-L746 VanDerWaalsContact C-N 3.29Å |
| 745 | D | 91.8 | Very high | 92.7 | Very high | 59 Ų | 59 | 26.4 Ų | 26.4 | 32% | 0.316 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -85.8 | -6.7 | 177.2 | -67.2 | -10.7 | 0 | 0 | 0 | 111.8 | K742 F743 | K742-D745 HydrophobicContact CB-CB 4.19Å; K742-D745 WeakPolarHBondContact CB-OD2 3.23Å; K742-D745 WeakPolarHBondContact CD-OD2 3.31Å; K742-D745 PolarHBondContact O-N 3.32Å; F743-D745 VanDerWaalsContact C-N 3.25Å; F743-D745 PolarHBondContact O-N 3.37Å |
| 746 | L | 91.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -80 | 149 | 172.3 | -64.8 | -178.8 | 0 | 0 | 0 | 111.1 | I734 V741 F743 I744 Q750 Q751 V754 | I734-L746 HydrophobicContact CD1-CD1 4.23Å; V741-L746 HydrophobicContact CB-CD2 4.38Å; V741-L746 HydrophobicContact CG1-CD2 4.45Å; V741-L746 HydrophobicContact CG2-CD1 3.92Å; V741-L746 HydrophobicContact CG2-CD2 3.96Å; V741-L746 HydrophobicContact CG2-CG 3.95Å; F743-L746 HydrophobicContact CD2-CD1 4.23Å; F743-L746 WeakPolarHBondContact O-CB 3.34Å; F743-L746 PolarHBondContact O-N 2.82Å; I744-L746 VanDerWaalsContact C-N 3.29Å; L746-Q750 HydrophobicContact CB-CB 3.96Å; L746-Q750 HydrophobicContact CD1-CB 4.5Å; L746-Q750 HydrophobicContact CD2-CB 4.22Å; L746-Q750 HydrophobicContact CG-CB 4.47Å; L746-Q751 HydrophobicContact CB-CG 3.73Å; L746-V754 HydrophobicContact CD1-CG2 4.06Å |
| 747 | T | 89.9 | Confident | 92.5 | Very high | 73 Ų | 73 | 30 Ų | 30 | 45% | 0.448 | 15% | 0.15 | S | C | . | . | trans | -68.7 | 158.7 | 169.2 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | E749 Q750 Q751 | T747-E749 PolarHBondContact O-N 3.02Å; T747-E749 VanDerWaalsContact O-N 3.16Å; T747-Q750 CarbonylContact O-C 3.5Å; T747-Q750 WeakPolarHBondContact O-CA 3.3Å; T747-Q750 WeakPolarHBondContact O-CB 3.45Å; T747-Q750 PolarHBondContact O-N 2.91Å; T747-Q750 VanDerWaalsContact OG1-CD 3.3Å; T747-Q750 WeakPolarHBondContact OG1-CG 3.29Å; T747-Q750 PolarHBondContact OG1-N 3.39Å; T747-Q750 PolarHBondContact OG1-OE1 2.78Å; T747-Q751 WeakPolarHBondContact O-CG 3.33Å; T747-Q751 PolarHBondContact O-N 3.37Å | ||
| 748 | R | 91.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 31.4 Ų | 31.4 | 42% | 0.419 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -50.8 | -42.5 | 177.3 | -175.7 | 65.6 | 175.8 | -148.1 | 4.6 | 112.9 | M721 E722 Q751 E752 | M721-R748 PolarHBondContact SD-NE 3.34Å; M721-R748 VanDerWaalsContact SD-NE 3.44Å; E722-R748 IonicContact OE1-CZ 3.7Å; E722-R748 VanDerWaalsContact OE1-CZ 3.26Å; E722-R748 IonicContact OE1-NH1 3.25Å; E722-R748 PolarHBondContact OE1-NH1 2.9Å; E722-R748 IonicContact OE1-NH2 3.51Å; E722-R748 PolarHBondContact OE1-NH2 3.27Å; R748-Q751 WeakPolarHBondContact O-CB 3.43Å; R748-Q751 PolarHBondContact O-N 3.16Å; R748-E752 IonicContact NE-OE1 2.82Å; R748-E752 PolarHBondContact NE-OE1 3.2Å; R748-E752 WeakPolarHBondContact O-CB 3.43Å; R748-E752 VanDerWaalsContact O-CG 3.31Å; R748-E752 WeakPolarHBondContact O-CG 3.35Å; R748-E752 PolarHBondContact O-N 3.43Å |
| 749 | E | 88.4 | Confident | 93 | Very high | 89 Ų | 89 | 32.8 Ų | 32.8 | 42% | 0.416 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 177.3 | 177.6 | 178.3 | -138.2 | 0 | 0 | 112.8 | K621 T747 Q751 E752 D753 | K621-E749 VanDerWaalsContact CE-CD 3.42Å; K621-E749 WeakPolarHBondContact CE-OE1 3.5Å; K621-E749 IonicContact NZ-OE1 3.27Å; K621-E749 PolarHBondContact NZ-OE1 3.35Å; K621-E749 IonicContact NZ-OE2 2.92Å; K621-E749 PolarHBondContact NZ-OE2 3.09Å; T747-E749 PolarHBondContact O-N 3.02Å; T747-E749 VanDerWaalsContact O-N 3.16Å; E749-Q751 VanDerWaalsContact C-N 3.33Å; E749-E752 PolarHBondContact O-N 3.33Å; E749-D753 PolarHBondContact O-N 3.14Å |
| 750 | Q | 89.9 | Confident | 93.2 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.4 | -34 | 176 | -69.5 | 162.4 | -6 | 0 | 0 | 111.4 | S335 T614 L746 T747 D753 V754 | S335-Q750 VanDerWaalsContact CB-NE2 3.29Å; S335-Q750 VanDerWaalsContact CB-OE1 3.29Å; T614-Q750 HydrophobicContact CG2-CG 4.27Å; L746-Q750 HydrophobicContact CB-CB 3.96Å; L746-Q750 HydrophobicContact CD1-CB 4.5Å; L746-Q750 HydrophobicContact CD2-CB 4.22Å; L746-Q750 HydrophobicContact CG-CB 4.47Å; T747-Q750 CarbonylContact O-C 3.5Å; T747-Q750 WeakPolarHBondContact O-CA 3.3Å; T747-Q750 WeakPolarHBondContact O-CB 3.45Å; T747-Q750 PolarHBondContact O-N 2.91Å; T747-Q750 VanDerWaalsContact OG1-CD 3.3Å; T747-Q750 WeakPolarHBondContact OG1-CG 3.29Å; T747-Q750 PolarHBondContact OG1-N 3.39Å; T747-Q750 PolarHBondContact OG1-OE1 2.78Å; Q750-D753 WeakPolarHBondContact O-CB 3.22Å; Q750-D753 PolarHBondContact O-N 3.25Å; Q750-V754 WeakPolarHBondContact O-CG2 3.1Å; Q750-V754 PolarHBondContact O-N 2.97Å; Q750-V754 VanDerWaalsContact O-N 3.11Å |
| 751 | Q | 94 | Very high | 93 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 172.1 | -68.2 | 173.7 | -26.2 | 0 | 0 | 111 | M721 F743 L746 T747 R748 E749 D753 V754 I755 | M721-Q751 HydrophobicContact CG-CB 4.48Å; M721-Q751 HydrophobicContact SD-CB 4.14Å; F743-Q751 HydrophobicContact CD2-CG 4.32Å; F743-Q751 HydrophobicContact CE1-CG 4.15Å; F743-Q751 HydrophobicContact CE2-CB 3.89Å; F743-Q751 HydrophobicContact CE2-CG 3.77Å; F743-Q751 HydrophobicContact CZ-CB 3.68Å; F743-Q751 HydrophobicContact CZ-CG 3.67Å; F743-Q751 PolarHBondContact O-NE2 3Å; L746-Q751 HydrophobicContact CB-CG 3.73Å; T747-Q751 WeakPolarHBondContact O-CG 3.33Å; T747-Q751 PolarHBondContact O-N 3.37Å; R748-Q751 WeakPolarHBondContact O-CB 3.43Å; R748-Q751 PolarHBondContact O-N 3.16Å; E749-Q751 VanDerWaalsContact C-N 3.33Å; Q751-D753 VanDerWaalsContact C-N 3.34Å; Q751-D753 PolarHBondContact O-N 2.9Å; Q751-V754 PolarHBondContact O-N 2.66Å; Q751-I755 WeakPolarHBondContact O-CB 3.36Å; Q751-I755 VanDerWaalsContact O-CG1 3.26Å; Q751-I755 WeakPolarHBondContact O-CG1 3.37Å; Q751-I755 PolarHBondContact O-N 2.8Å |
| 752 | E | 93 | Very high | 92.9 | Very high | 100 Ų | 100 | 42.2 Ų | 42.2 | 47% | 0.467 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.8 | -74.8 | 169.7 | 179.9 | 0 | 0 | 111.9 | M721 R748 E749 I755 S756 | M721-E752 HydrophobicContact SD-CG 4.38Å; R748-E752 IonicContact NE-OE1 2.82Å; R748-E752 PolarHBondContact NE-OE1 3.2Å; R748-E752 WeakPolarHBondContact O-CB 3.43Å; R748-E752 VanDerWaalsContact O-CG 3.31Å; R748-E752 WeakPolarHBondContact O-CG 3.35Å; R748-E752 PolarHBondContact O-N 3.43Å; E749-E752 PolarHBondContact O-N 3.33Å; E752-I755 PolarHBondContact O-N 2.92Å; E752-S756 WeakPolarHBondContact O-CB 3.44Å; E752-S756 PolarHBondContact O-N 3.46Å; E752-S756 PolarHBondContact O-OG 3.11Å |
| 753 | D | 90.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.4 | -55.2 | 169.5 | 171.9 | 47.1 | 0 | 0 | 0 | 110.8 | N616 V617 P635 Y644 E749 Q750 Q751 I755 S756 R757 | N616-D753 PolarHBondContact ND2-OD2 3.47Å; V617-D753 HydrophobicContact CG2-CB 4.18Å; P635-D753 HydrophobicContact CG-CB 4.48Å; Y644-D753 WeakPolarHBondContact CE1-OD1 3.43Å; Y644-D753 VanDerWaalsContact CZ-OD1 3.27Å; Y644-D753 PolarHBondContact OH-OD1 2.78Å; E749-D753 PolarHBondContact O-N 3.14Å; Q750-D753 WeakPolarHBondContact O-CB 3.22Å; Q750-D753 PolarHBondContact O-N 3.25Å; Q751-D753 VanDerWaalsContact C-N 3.34Å; Q751-D753 PolarHBondContact O-N 2.9Å; D753-I755 VanDerWaalsContact C-N 3.34Å; D753-I755 PolarHBondContact O-N 3.01Å; D753-S756 PolarHBondContact O-N 3.45Å; D753-S756 VanDerWaalsContact O-N 3.1Å; D753-S756 PolarHBondContact O-OG 2.91Å; D753-R757 PolarHBondContact O-N 3.41Å; D753-R757 IonicContact OD2-CZ 3.32Å; D753-R757 IonicContact OD2-NE 2.74Å; D753-R757 IonicContact OD2-NH2 2.86Å; D753-R757 PolarHBondContact OD2-NH2 3.23Å |
| 754 | V | 93.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | -179.3 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | L717 I734 V736 F743 L746 Q750 Q751 S756 R757 | L717-V754 HydrophobicContact CD1-CG1 3.71Å; I734-V754 HydrophobicContact CD1-CB 4.39Å; I734-V754 HydrophobicContact CD1-CG1 3.63Å; I734-V754 HydrophobicContact CD1-CG2 4.05Å; V736-V754 HydrophobicContact CG1-CG2 4.03Å; F743-V754 HydrophobicContact CE2-CB 4.44Å; F743-V754 HydrophobicContact CE2-CG1 4.41Å; L746-V754 HydrophobicContact CD1-CG2 4.06Å; Q750-V754 WeakPolarHBondContact O-CG2 3.1Å; Q750-V754 PolarHBondContact O-N 2.97Å; Q750-V754 VanDerWaalsContact O-N 3.11Å; Q751-V754 PolarHBondContact O-N 2.66Å; V754-S756 PolarHBondContact O-N 3.48Å; V754-R757 WeakPolarHBondContact O-CB 3.28Å; V754-R757 PolarHBondContact O-N 3.19Å |
| 755 | I | 94.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -26.3 | 179.7 | -71.6 | 171.5 | 0 | 0 | 0 | 112.1 | K714 L717 I718 M721 F743 Q751 E752 D753 R757 | K714-I755 HydrophobicContact CD-CG2 4.49Å; K714-I755 VanDerWaalsContact CE-CG2 3.41Å; K714-I755 WeakPolarHBondContact CE-O 3.37Å; K714-I755 HydrophobicContact CG-CG2 4.35Å; K714-I755 PolarHBondContact NZ-O 3.13Å; L717-I755 HydrophobicContact CB-CD1 4.2Å; L717-I755 HydrophobicContact CB-CG1 3.78Å; L717-I755 HydrophobicContact CD1-CG1 3.96Å; I718-I755 HydrophobicContact CG1-CD1 4.41Å; I718-I755 HydrophobicContact CG1-CG2 4.48Å; M721-I755 HydrophobicContact CB-CD1 4.39Å; M721-I755 HydrophobicContact CE-CD1 3.69Å; M721-I755 HydrophobicContact SD-CD1 3.54Å; M721-I755 VanDerWaalsContact SD-CD1 3.54Å; F743-I755 HydrophobicContact CZ-CD1 4.11Å; F743-I755 HydrophobicContact CZ-CG1 4.35Å; Q751-I755 WeakPolarHBondContact O-CB 3.36Å; Q751-I755 VanDerWaalsContact O-CG1 3.26Å; Q751-I755 WeakPolarHBondContact O-CG1 3.37Å; Q751-I755 PolarHBondContact O-N 2.8Å; E752-I755 PolarHBondContact O-N 2.92Å; D753-I755 VanDerWaalsContact C-N 3.34Å; D753-I755 PolarHBondContact O-N 3.01Å; I755-R757 VanDerWaalsContact C-N 3.33Å |
| 756 | S | 92.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 40% | 0.399 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -79.4 | -14.1 | 178.5 | 76.6 | 0 | 0 | 0 | 0 | 114 | Y644 E752 D753 V754 | Y644-S756 WeakPolarHBondContact CD1-OG 3.46Å; Y644-S756 WeakPolarHBondContact CE1-OG 3.36Å; E752-S756 WeakPolarHBondContact O-CB 3.44Å; E752-S756 PolarHBondContact O-N 3.46Å; E752-S756 PolarHBondContact O-OG 3.11Å; D753-S756 PolarHBondContact O-N 3.45Å; D753-S756 VanDerWaalsContact O-N 3.1Å; D753-S756 PolarHBondContact O-OG 2.91Å; V754-S756 PolarHBondContact O-N 3.48Å |
| 757 | R | 93.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -67.3 | 167.7 | 178 | -61.4 | 175.2 | -170.5 | -168.5 | -0.4 | 111.9 | Y644 V736 D753 V754 I755 F759 | Y644-R757 HydrophobicContact CD1-CG 4.37Å; Y644-R757 HydrophobicContact CE1-CG 3.7Å; V736-R757 PolarHBondContact O-NH1 2.79Å; D753-R757 PolarHBondContact O-N 3.41Å; D753-R757 IonicContact OD2-CZ 3.32Å; D753-R757 IonicContact OD2-NE 2.74Å; D753-R757 IonicContact OD2-NH2 2.86Å; D753-R757 PolarHBondContact OD2-NH2 3.23Å; V754-R757 WeakPolarHBondContact O-CB 3.28Å; V754-R757 PolarHBondContact O-N 3.19Å; I755-R757 VanDerWaalsContact C-N 3.33Å; R757-F759 WeakPolarHBondContact O-CD2 3.47Å; R757-F759 WeakPolarHBondContact O-CE2 3.36Å |
| 758 | T | 94.1 | Very high | 92.6 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | trans | -68.1 | 132.9 | 176.3 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | E647 | E647-T758 HydrophobicContact CB-CG2 3.94Å; E647-T758 WeakPolarHBondContact OE2-CB 3.27Å; E647-T758 PolarHBondContact OE2-OG1 3.39Å | ||
| 759 | F | 94.4 | Very high | 92.7 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | trans | -119.6 | 106.2 | 167.9 | -69.3 | -97.1 | 0 | 0 | 0 | 107.4 | F712 K714 L717 R757 A761 | F712-F759 AromaticContact CD2-CE1 3.99Å; F712-F759 HydrophobicContact CD2-CE1 3.99Å; F712-F759 AromaticContact CE2-CE1 3.76Å; F712-F759 HydrophobicContact CE2-CE1 3.76Å; F712-F759 HydrophobicContact CE2-CZ 4.44Å; K714-F759 HydrophobicContact CB-CD1 4.37Å; K714-F759 HydrophobicContact CB-CD2 4.17Å; K714-F759 HydrophobicContact CB-CE2 4.37Å; K714-F759 HydrophobicContact CB-CG 4.2Å; K714-F759 HydrophobicContact CD-CD2 4.37Å; K714-F759 HydrophobicContact CG-CD2 4.41Å; K714-F759 HydrophobicContact CG-CE2 4.34Å; L717-F759 HydrophobicContact CD1-CE1 4.11Å; L717-F759 HydrophobicContact CD1-CZ 3.55Å; L717-F759 HydrophobicContact CG-CZ 4.47Å; R757-F759 WeakPolarHBondContact O-CD2 3.47Å; R757-F759 WeakPolarHBondContact O-CE2 3.36Å; F759-A761 PolarHBondContact O-N 2.8Å | ||
| 760 | H | 95.7 | Very high | 93 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -67.3 | 121.7 | -175 | -70 | -72.2 | 0 | 0 | 0 | 110.5 | E647 L651 Q674 S675 I676 N677 | E647-H760 IonicContact OE1-CE1 2.95Å; E647-H760 PolarHBondContact OE1-CE1 3.15Å; E647-H760 IonicContact OE1-NE2 3.05Å; E647-H760 PolarHBondContact OE1-NE2 3.39Å; E647-H760 VanDerWaalsContact OE1-NE2 3.15Å; L651-H760 HydrophobicContact CB-CB 4.13Å; L651-H760 PolarHBondContact N-ND1 2.93Å; Q674-H760 PolarHBondContact OE1-CD2 3.43Å; Q674-H760 PolarHBondContact OE1-NE2 3.21Å; S675-H760 PolarHBondContact O-CD2 2.93Å; S675-H760 PolarHBondContact O-N 3.39Å; I676-H760 HydrophobicContact CB-CB 4.4Å; I676-H760 HydrophobicContact CG1-CB 4.24Å; N677-H760 PolarHBondContact N-O 2.89Å |
| 761 | A | 93.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 65% | 0.645 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -94.4 | -0.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A680 F759 | A680-A761 VanDerWaalsContact CB-C 3.43Å; F759-A761 PolarHBondContact O-N 2.8Å |
| 762 | K | 93.2 | Very high | 93.2 | Very high | 114 Ų | 114 | 45.9 Ų | 45.9 | 50% | 0.496 | 25% | 0.25 | S | S | . | . | trans | -153.6 | 151.7 | 176.2 | 61.6 | 179.8 | -177.7 | 177.1 | 0 | 109.2 | L651 | L651-K762 PolarHBondContact N-O 3.48Š| ||
| 763 | M | 89.6 | Confident | 93.2 | Very high | 79 Ų | 79 | 41 Ų | 41 | 39% | 0.389 | 23% | 0.231 | S | C | . | . | trans | -63.8 | 0 | 167.4 | -73.6 | -167.4 | -84.1 | 0 | 0 | 111.5 | L651 L652 I676 N691 V695 | L651-M763 PolarHBondContact N-OXT 2.83Å; L652-M763 WeakPolarHBondContact CB-OXT 3.33Å; L652-M763 HydrophobicContact CD1-CB 4.35Å; L652-M763 HydrophobicContact CG-CB 4.37Å; L652-M763 WeakPolarHBondContact CG-OXT 3.46Å; L652-M763 PolarHBondContact N-OXT 3.07Å; I676-M763 HydrophobicContact CD1-CG 4.41Å; N691-M763 HydrophobicContact CB-CE 4.38Å; N691-M763 HydrophobicContact CB-SD 4.3Å; V695-M763 HydrophobicContact CG2-SD 4.32Å |
Retrieved 763 of 763 residues in 205.9 ms
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