| 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 | 80.5 | Confident | 89.2 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | 0 | 143.6 | 0 | -79 | 172.8 | 80.1 | 0 | 0 | 109.4 | W646 R650 L653 I761 | M1-W646 HydrophobicContact CB-CZ2 4.07Å; M1-W646 HydrophobicContact CE-CD2 3.46Å; M1-W646 VanDerWaalsContact CE-CD2 3.46Å; M1-W646 HydrophobicContact CE-CE3 3.51Å; M1-W646 HydrophobicContact CE-CG 4.17Å; M1-W646 HydrophobicContact CE-CH2 3.73Å; M1-W646 HydrophobicContact CE-CZ2 3.68Å; M1-W646 HydrophobicContact CE-CZ3 3.64Å; M1-W646 HydrophobicContact CG-CH2 4.34Å; M1-W646 HydrophobicContact CG-CZ2 4.26Å; M1-R650 VanDerWaalsContact C-NH1 3.26Å; M1-R650 HydrophobicContact CB-CG 4.15Å; M1-R650 HydrophobicContact CE-CG 3.9Å; M1-R650 PolarHBondContact O-NH1 3.45Å; M1-R650 HydrophobicContact SD-CG 4.17Å; M1-L653 HydrophobicContact CG-CD1 4.47Å; M1-L653 HydrophobicContact SD-CD1 3.34Å; M1-L653 WeakPolarHBondContact SD-CD1 3.46Å; M1-I761 HydrophobicContact CE-CG1 3.92Å | |||
| 2 | E | 84.5 | Confident | 89.7 | Confident | 140 Ų | 140 | 75.7 Ų | 75.7 | 65% | 0.654 | 38% | 0.376 | S | S | * | . | trans | -71.7 | 151.4 | 173.3 | -74.5 | -55 | 137.7 | 0 | 0 | 112.7 | T4 W646 R650 | E2-T4 VanDerWaalsContact C-N 3.35Å; E2-W646 PolarHBondContact O-NE1 3.29Å; E2-R650 WeakPolarHBondContact O-CD 3.45Å; E2-R650 PolarHBondContact O-NH1 2.94Å | ||
| 3 | K | 83.5 | Confident | 90.3 | Very high | 166 Ų | 166 | 75.4 Ų | 75.4 | 72% | 0.722 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -66.9 | -38.1 | -178.5 | -176.3 | 179 | 176.4 | -177.4 | 0 | 111.9 | ||
| 4 | T | 85.6 | Confident | 90.8 | Very high | 109 Ų | 109 | 71.7 Ų | 71.7 | 67% | 0.669 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -102.7 | 132.4 | 178.9 | -53 | 0 | 0 | 0 | 0 | 108.6 | E2 | E2-T4 VanDerWaalsContact C-N 3.35Š|
| 5 | Y | 88.9 | Confident | 91.3 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | trans | -78.2 | 128.3 | 170.6 | 169.5 | -118.1 | 0 | 0 | 0 | 109.5 | P7 I10 C642 N643 W646 I757 | Y5-P7 HydrophobicContact CD1-CG 4.48Å; Y5-P7 HydrophobicContact CE1-CG 3.73Å; Y5-I10 HydrophobicContact CE2-CD1 3.76Å; Y5-C642 HydrophobicContact CD1-CB 4.35Å; Y5-C642 HydrophobicContact CE1-CB 3.71Å; Y5-N643 WeakPolarHBondContact CB-OD1 3.47Å; Y5-N643 WeakPolarHBondContact CD1-OD1 3.28Å; Y5-W646 AromaticContact CD2-CD2 3.93Å; Y5-W646 HydrophobicContact CD2-CD2 3.93Å; Y5-W646 AromaticContact CD2-CE3 3.68Å; Y5-W646 HydrophobicContact CD2-CE3 3.68Å; Y5-W646 HydrophobicContact CD2-CG 4.35Å; Y5-W646 HydrophobicContact CD2-CZ3 4.11Å; Y5-W646 HydrophobicContact CE2-CE3 4.36Å; Y5-W646 HydrophobicContact CG-CB 4.29Å; Y5-W646 HydrophobicContact CG-CD2 4.29Å; Y5-W646 HydrophobicContact CG-CE3 4.44Å; Y5-W646 HydrophobicContact CG-CG 4.25Å; Y5-I757 HydrophobicContact CD2-CD1 4.22Å; Y5-I757 HydrophobicContact CD2-CG1 4.45Å; Y5-I757 HydrophobicContact CE1-CD1 4.17Å; Y5-I757 HydrophobicContact CE2-CB 4.38Å; Y5-I757 HydrophobicContact CE2-CD1 3.83Å; Y5-I757 HydrophobicContact CE2-CG1 3.87Å | ||
| 6 | N | 92.1 | Very high | 91.7 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | trans | -130.2 | 112.8 | 173.3 | 179.4 | 11 | 0 | 0 | 0 | 108.4 | Q8 D9 | N6-Q8 VanDerWaalsContact C-N 3.25Å; N6-Q8 PolarHBondContact O-N 3.34Å; N6-Q8 PolarHBondContact OD1-N 3.4Å; N6-D9 HydrophobicContact CB-CB 4.48Å; N6-D9 VanDerWaalsContact CB-OD2 3.29Å; N6-D9 WeakPolarHBondContact CB-OD2 3.15Å; N6-D9 PolarHBondContact ND2-OD1 2.62Å; N6-D9 VanDerWaalsContact ND2-OD1 3.11Å; N6-D9 PolarHBondContact ND2-OD2 2.82Å; N6-D9 PolarHBondContact O-N 3.33Å | ||
| 7 | P | 92.4 | Very high | 92 | Very high | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -58.7 | -35.6 | 180 | -19.4 | 27.6 | 0 | 0 | 0 | 113.3 | Y5 D9 I10 E11 | Y5-P7 HydrophobicContact CD1-CG 4.48Å; Y5-P7 HydrophobicContact CE1-CG 3.73Å; P7-D9 PolarHBondContact O-N 2.77Å; P7-I10 WeakPolarHBondContact O-CG1 3.46Å; P7-I10 PolarHBondContact O-N 3.1Å; P7-I10 VanDerWaalsContact O-N 3.1Å; P7-E11 HydrophobicContact CB-CG 4.36Å; P7-E11 VanDerWaalsContact CB-OE1 3.26Å; P7-E11 WeakPolarHBondContact CB-OE1 3.42Å; P7-E11 VanDerWaalsContact O-CG 3.29Å; P7-E11 WeakPolarHBondContact O-CG 3.37Å; P7-E11 PolarHBondContact O-N 2.81Å |
| 8 | Q | 90.4 | Very high | 92.4 | Very high | 103 Ų | 103 | 66.2 Ų | 66.2 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -62 | -30.3 | -177 | -66.5 | 179.7 | -8.5 | 0 | 0 | 113 | N6 I10 | N6-Q8 VanDerWaalsContact C-N 3.25Å; N6-Q8 PolarHBondContact O-N 3.34Å; N6-Q8 PolarHBondContact OD1-N 3.4Å; Q8-I10 PolarHBondContact O-N 3.18Å |
| 9 | D | 91.6 | Very high | 92.6 | Very high | 109 Ų | 109 | 66 Ų | 66 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -73.7 | -15.4 | -178.3 | -63.7 | -22.2 | 0 | 0 | 0 | 112.6 | N6 P7 | N6-D9 HydrophobicContact CB-CB 4.48Å; N6-D9 VanDerWaalsContact CB-OD2 3.29Å; N6-D9 WeakPolarHBondContact CB-OD2 3.15Å; N6-D9 PolarHBondContact ND2-OD1 2.62Å; N6-D9 VanDerWaalsContact ND2-OD1 3.11Å; N6-D9 PolarHBondContact ND2-OD2 2.82Å; N6-D9 PolarHBondContact O-N 3.33Å; P7-D9 PolarHBondContact O-N 2.77Å |
| 10 | I | 94.4 | Very high | 92.8 | Very high | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -35.3 | -172.7 | 68.2 | 163.5 | 0 | 0 | 0 | 113.3 | Y5 P7 Q8 L14 F756 T760 | Y5-I10 HydrophobicContact CE2-CD1 3.76Å; P7-I10 WeakPolarHBondContact O-CG1 3.46Å; P7-I10 PolarHBondContact O-N 3.1Å; P7-I10 VanDerWaalsContact O-N 3.1Å; Q8-I10 PolarHBondContact O-N 3.18Å; I10-L14 WeakPolarHBondContact O-CB 3.29Å; I10-L14 PolarHBondContact O-N 3.1Å; I10-F756 HydrophobicContact CD1-CB 4.24Å; I10-T760 HydrophobicContact CG2-CG2 4Å |
| 11 | E | 97.5 | Very high | 93 | Very high | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.019 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -55.3 | -166.2 | -75.3 | 177 | -178 | 0 | 0 | 113 | P7 Y15 G610 T611 F756 | P7-E11 HydrophobicContact CB-CG 4.36Å; P7-E11 VanDerWaalsContact CB-OE1 3.26Å; P7-E11 WeakPolarHBondContact CB-OE1 3.42Å; P7-E11 VanDerWaalsContact O-CG 3.29Å; P7-E11 WeakPolarHBondContact O-CG 3.37Å; P7-E11 PolarHBondContact O-N 2.81Å; E11-Y15 WeakPolarHBondContact O-CB 3.38Å; E11-Y15 PolarHBondContact O-N 2.98Å; E11-G610 WeakPolarHBondContact OE1-CA 3.21Å; E11-T611 WeakPolarHBondContact OE1-CB 3.48Å; E11-T611 PolarHBondContact OE1-N 2.9Å; E11-T611 PolarHBondContact OE2-OG1 2.86Å; E11-F756 HydrophobicContact CB-CD1 4.08Å; E11-F756 HydrophobicContact CB-CE1 4.14Å; E11-F756 HydrophobicContact CB-CG 4.33Å; E11-F756 HydrophobicContact CB-CZ 4.44Å; E11-F756 HydrophobicContact CG-CB 4.03Å; E11-F756 HydrophobicContact CG-CD1 4.01Å; E11-F756 HydrophobicContact CG-CD2 3.97Å; E11-F756 HydrophobicContact CG-CE1 4.4Å; E11-F756 HydrophobicContact CG-CE2 4.38Å; E11-F756 HydrophobicContact CG-CG 3.75Å; E11-F756 WeakPolarHBondContact O-CE1 3.48Å |
| 12 | Q | 95.7 | Very high | 93.7 | Very high | 106 Ų | 106 | 70.7 Ų | 70.7 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.8 | -50.8 | -175.9 | 176.5 | 174.7 | 1.7 | 0 | 0 | 112.9 | L14 Y15 E16 | Q12-L14 PolarHBondContact O-N 3.03Å; Q12-Y15 PolarHBondContact O-N 3.39Å; Q12-E16 HydrophobicContact CG-CG 4.42Å; Q12-E16 VanDerWaalsContact CG-OE1 3.28Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.36Å; Q12-E16 PolarHBondContact NE2-OE1 3.19Å; Q12-E16 WeakPolarHBondContact O-CG 3.48Å; Q12-E16 PolarHBondContact O-N 2.93Å |
| 13 | P | 96.5 | Very high | 94.3 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -36.1 | 179.3 | -23.9 | 34.5 | 0 | 0 | 0 | 112.7 | H17 | P13-H17 WeakPolarHBondContact O-CB 3.4Å; P13-H17 PolarHBondContact O-N 2.76Å; P13-H17 VanDerWaalsContact O-N 3.08Å |
| 14 | L | 97.6 | Very high | 95 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.4 | -42 | 179.4 | -175.9 | 55.1 | 0 | 0 | 0 | 112.2 | I10 Q12 H17 W18 F756 E759 | I10-L14 WeakPolarHBondContact O-CB 3.29Å; I10-L14 PolarHBondContact O-N 3.1Å; Q12-L14 PolarHBondContact O-N 3.03Å; L14-H17 WeakPolarHBondContact O-CB 3.35Å; L14-H17 PolarHBondContact O-N 3.16Å; L14-W18 HydrophobicContact CD1-CD2 4.38Å; L14-W18 HydrophobicContact CD1-CZ2 4.1Å; L14-W18 HydrophobicContact CD2-CH2 3.78Å; L14-W18 HydrophobicContact CD2-CZ2 3.51Å; L14-W18 HydrophobicContact CG-CD2 4.04Å; L14-W18 HydrophobicContact CG-CE3 4.38Å; L14-W18 HydrophobicContact CG-CH2 3.92Å; L14-W18 HydrophobicContact CG-CZ2 3.55Å; L14-W18 HydrophobicContact CG-CZ3 4.32Å; L14-W18 PolarHBondContact O-N 3.45Å; L14-F756 HydrophobicContact CB-CD1 4.4Å; L14-F756 HydrophobicContact CD2-CD1 4.13Å; L14-F756 HydrophobicContact CG-CD1 4.49Å; L14-E759 HydrophobicContact CD1-CG 3.82Å; L14-E759 HydrophobicContact CD2-CB 3.94Å; L14-E759 HydrophobicContact CD2-CG 3.76Å; L14-E759 HydrophobicContact CG-CG 4.29Å |
| 15 | Y | 98.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.7 | -167.9 | -86.7 | 0 | 0 | 0 | 111.9 | E11 Q12 H17 W18 E19 F24 R130 N134 W138 F756 | E11-Y15 WeakPolarHBondContact O-CB 3.38Å; E11-Y15 PolarHBondContact O-N 2.98Å; Q12-Y15 PolarHBondContact O-N 3.39Å; Y15-H17 PolarHBondContact O-N 3.5Å; Y15-W18 HydrophobicContact CD2-CE3 4.12Å; Y15-W18 HydrophobicContact CD2-CZ3 4.46Å; Y15-W18 PolarHBondContact O-N 3.29Å; Y15-W18 VanDerWaalsContact O-N 3.16Å; Y15-E19 HydrophobicContact CE1-CB 4.3Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.31Å; Y15-E19 WeakPolarHBondContact O-CB 3.15Å; Y15-E19 PolarHBondContact O-N 3.44Å; Y15-F24 HydrophobicContact CD2-CE2 4.49Å; Y15-F24 HydrophobicContact CD2-CZ 4.46Å; Y15-F24 AromaticContact CE2-CE2 3.82Å; Y15-F24 HydrophobicContact CE2-CE2 3.82Å; Y15-F24 HydrophobicContact CE2-CZ 4.09Å; Y15-F24 AromaticContact CZ-CE2 3.9Å; Y15-R130 HydrophobicContact CD1-CB 3.93Å; Y15-R130 HydrophobicContact CD1-CG 4.24Å; Y15-R130 VanDerWaalsContact CD2-O 3.28Å; Y15-R130 WeakPolarHBondContact CD2-O 3.5Å; Y15-R130 HydrophobicContact CE1-CB 3.45Å; Y15-R130 VanDerWaalsContact CE1-CB 3.45Å; Y15-R130 HydrophobicContact CE1-CG 3.38Å; Y15-R130 WeakPolarHBondContact CE2-O 3.43Å; Y15-N134 WeakPolarHBondContact CE2-O 3.38Å; Y15-N134 PolarHBondContact OH-O 3.11Å; Y15-W138 AromaticContact CZ-NE1 3.86Å; Y15-W138 VanDerWaalsContact OH-CZ2 3.28Å; Y15-W138 WeakPolarHBondContact OH-CZ2 3.3Å; Y15-W138 PolarHBondContact OH-NE1 2.89Å; Y15-F756 HydrophobicContact CD2-CE1 4.41Å; Y15-F756 HydrophobicContact CD2-CZ 4.26Å |
| 16 | E | 97.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 56.7 Ų | 56.7 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.7 | -38.2 | 176.2 | -71.9 | 172.9 | -174 | 0 | 0 | 111.4 | Q12 K20 | Q12-E16 HydrophobicContact CG-CG 4.42Å; Q12-E16 VanDerWaalsContact CG-OE1 3.28Å; Q12-E16 WeakPolarHBondContact CG-OE1 3.36Å; Q12-E16 PolarHBondContact NE2-OE1 3.19Å; Q12-E16 WeakPolarHBondContact O-CG 3.48Å; Q12-E16 PolarHBondContact O-N 2.93Å; E16-K20 WeakPolarHBondContact O-CB 3.13Å; E16-K20 PolarHBondContact O-N 3.25Å |
| 17 | H | 97.6 | Very high | 96 | Very high | 75 Ų | 75 | 58.3 Ų | 58.3 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.8 | -51.6 | 173.4 | 178.2 | 71.8 | 0 | 0 | 0 | 112.1 | P13 L14 Y15 E19 K20 Q21 Y23 | P13-H17 WeakPolarHBondContact O-CB 3.4Å; P13-H17 PolarHBondContact O-N 2.76Å; P13-H17 VanDerWaalsContact O-N 3.08Å; L14-H17 WeakPolarHBondContact O-CB 3.35Å; L14-H17 PolarHBondContact O-N 3.16Å; Y15-H17 PolarHBondContact O-N 3.5Å; H17-E19 VanDerWaalsContact C-N 3.35Å; H17-E19 PolarHBondContact O-N 2.81Å; H17-K20 PolarHBondContact O-N 3.27Å; H17-Q21 WeakPolarHBondContact O-CG 3.22Å; H17-Q21 PolarHBondContact O-N 3.43Å; H17-Y23 AromaticContact NE2-CE2 3.98Å |
| 18 | W | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 179.7 | -65.5 | -30.2 | 0 | 0 | 0 | 112.9 | L14 Y15 Q21 G22 Y23 F24 P755 F756 E759 M777 | L14-W18 HydrophobicContact CD1-CD2 4.38Å; L14-W18 HydrophobicContact CD1-CZ2 4.1Å; L14-W18 HydrophobicContact CD2-CH2 3.78Å; L14-W18 HydrophobicContact CD2-CZ2 3.51Å; L14-W18 HydrophobicContact CG-CD2 4.04Å; L14-W18 HydrophobicContact CG-CE3 4.38Å; L14-W18 HydrophobicContact CG-CH2 3.92Å; L14-W18 HydrophobicContact CG-CZ2 3.55Å; L14-W18 HydrophobicContact CG-CZ3 4.32Å; L14-W18 PolarHBondContact O-N 3.45Å; Y15-W18 HydrophobicContact CD2-CE3 4.12Å; Y15-W18 HydrophobicContact CD2-CZ3 4.46Å; Y15-W18 PolarHBondContact O-N 3.29Å; Y15-W18 VanDerWaalsContact O-N 3.16Å; W18-Q21 PolarHBondContact O-N 2.91Å; W18-G22 PolarHBondContact O-N 3.25Å; W18-G22 VanDerWaalsContact O-N 3.13Å; W18-Y23 HydrophobicContact CB-CD2 4.39Å; W18-Y23 AromaticContact CD1-CD2 3.81Å; W18-Y23 HydrophobicContact CG-CD2 4.44Å; W18-Y23 PolarHBondContact O-N 3.48Å; W18-F24 HydrophobicContact CB-CE1 3.91Å; W18-F24 HydrophobicContact CB-CE2 4.11Å; W18-F24 HydrophobicContact CB-CZ 3.51Å; W18-F24 HydrophobicContact CD2-CE1 4.43Å; W18-F24 HydrophobicContact CD2-CZ 4.17Å; W18-F24 HydrophobicContact CE3-CE1 4.34Å; W18-F24 AromaticContact CE3-CZ 3.79Å; W18-F24 HydrophobicContact CE3-CZ 3.79Å; W18-F24 HydrophobicContact CG-CE1 4.34Å; W18-F24 HydrophobicContact CG-CZ 4.15Å; W18-P755 HydrophobicContact CH2-CB 3.92Å; W18-F756 HydrophobicContact CE3-CE1 4.37Å; W18-F756 AromaticContact CH2-CD1 3.76Å; W18-F756 HydrophobicContact CH2-CD1 3.76Å; W18-F756 HydrophobicContact CH2-CE1 4.06Å; W18-F756 HydrophobicContact CH2-CG 4.29Å; W18-F756 AromaticContact CZ3-CD1 3.71Å; W18-F756 HydrophobicContact CZ3-CD1 3.71Å; W18-F756 AromaticContact CZ3-CE1 3.5Å; W18-F756 HydrophobicContact CZ3-CE1 3.5Å; W18-F756 HydrophobicContact CZ3-CG 4.47Å; W18-F756 HydrophobicContact CZ3-CZ 4.12Å; W18-E759 HydrophobicContact CZ2-CB 3.69Å; W18-E759 HydrophobicContact CZ2-CG 3.68Å; W18-E759 PolarHBondContact NE1-OE1 2.77Å; W18-M777 HydrophobicContact CB-CE 4.29Å; W18-M777 HydrophobicContact CD2-CE 3.6Å; W18-M777 HydrophobicContact CE3-CE 4.45Å; W18-M777 HydrophobicContact CG-CE 3.53Å; W18-M777 HydrophobicContact CZ2-CE 4.06Å |
| 19 | E | 96.7 | Very high | 96 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 176.8 | -179.5 | 170.4 | -176.1 | 0 | 0 | 110.6 | Y15 H17 Q21 G22 R130 | Y15-E19 HydrophobicContact CE1-CB 4.3Å; Y15-E19 WeakPolarHBondContact CE1-OE2 3.31Å; Y15-E19 WeakPolarHBondContact O-CB 3.15Å; Y15-E19 PolarHBondContact O-N 3.44Å; H17-E19 VanDerWaalsContact C-N 3.35Å; H17-E19 PolarHBondContact O-N 2.81Å; E19-Q21 VanDerWaalsContact C-N 3.3Å; E19-Q21 PolarHBondContact O-N 2.66Å; E19-G22 PolarHBondContact O-N 3.42Å; E19-R130 IonicContact OE1-CZ 3.67Å; E19-R130 IonicContact OE1-NE 3.51Å; E19-R130 PolarHBondContact OE1-NE 2.84Å; E19-R130 VanDerWaalsContact OE1-NE 3.13Å; E19-R130 IonicContact OE1-NH2 2.81Å; E19-R130 PolarHBondContact OE1-NH2 3.47Å; E19-R130 WeakPolarHBondContact OE2-CD 3.5Å; E19-R130 IonicContact OE2-CZ 3.48Å; E19-R130 IonicContact OE2-NE 2.69Å; E19-R130 PolarHBondContact OE2-NE 3.35Å; E19-R130 IonicContact OE2-NH2 3.43Å |
| 20 | K | 97.1 | Very high | 95.8 | Very high | 176 Ų | 176 | 59.3 Ų | 59.3 | 77% | 0.765 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.4 | -36 | 179 | -178.5 | 178.4 | 178.3 | -179.4 | 0 | 113.2 | E16 H17 G22 | E16-K20 WeakPolarHBondContact O-CB 3.13Å; E16-K20 PolarHBondContact O-N 3.25Å; H17-K20 PolarHBondContact O-N 3.27Å; K20-G22 VanDerWaalsContact C-N 3.3Å |
| 21 | Q | 97 | Very high | 95.8 | Very high | 94 Ų | 94 | 62.7 Ų | 62.7 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -79.8 | -12.7 | 177.8 | -62.9 | -54.9 | -40.6 | 0 | 0 | 113.2 | H17 W18 E19 Y23 | H17-Q21 WeakPolarHBondContact O-CG 3.22Å; H17-Q21 PolarHBondContact O-N 3.43Å; W18-Q21 PolarHBondContact O-N 2.91Å; E19-Q21 VanDerWaalsContact C-N 3.3Å; E19-Q21 PolarHBondContact O-N 2.66Å; Q21-Y23 VanDerWaalsContact C-N 3.33Å; Q21-Y23 HydrophobicContact CB-CD1 3.92Å; Q21-Y23 HydrophobicContact CB-CD2 3.8Å; Q21-Y23 HydrophobicContact CB-CE1 3.62Å; Q21-Y23 HydrophobicContact CB-CE2 3.47Å; Q21-Y23 VanDerWaalsContact CB-CE2 3.47Å; Q21-Y23 HydrophobicContact CB-CG 4Å; Q21-Y23 HydrophobicContact CG-CD2 4.45Å; Q21-Y23 HydrophobicContact CG-CE1 4.32Å; Q21-Y23 HydrophobicContact CG-CE2 3.71Å; Q21-Y23 PolarHBondContact O-N 2.85Å |
| 22 | G | 96.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 24.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | W18 E19 K20 F24 K25 | W18-G22 PolarHBondContact O-N 3.25Å; W18-G22 VanDerWaalsContact O-N 3.13Å; E19-G22 PolarHBondContact O-N 3.42Å; K20-G22 VanDerWaalsContact C-N 3.3Å; G22-F24 PolarHBondContact O-N 3.42Å; G22-F24 VanDerWaalsContact O-N 3.09Å; G22-K25 WeakPolarHBondContact O-CB 3.46Å; G22-K25 WeakPolarHBondContact O-CG 3.4Å; G22-K25 PolarHBondContact O-N 3.43Å; G22-K25 VanDerWaalsContact O-N 3.09Å |
| 23 | Y | 96.6 | Very high | 95.6 | Very high | 29 Ų | 29 | 67 Ų | 67 | 11% | 0.114 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.5 | -177.7 | -62.6 | -38.7 | 0 | 0 | 0 | 114.4 | H17 W18 Q21 D774 T775 M777 L778 | H17-Y23 AromaticContact NE2-CE2 3.98Å; W18-Y23 HydrophobicContact CB-CD2 4.39Å; W18-Y23 AromaticContact CD1-CD2 3.81Å; W18-Y23 HydrophobicContact CG-CD2 4.44Å; W18-Y23 PolarHBondContact O-N 3.48Å; Q21-Y23 VanDerWaalsContact C-N 3.33Å; Q21-Y23 HydrophobicContact CB-CD1 3.92Å; Q21-Y23 HydrophobicContact CB-CD2 3.8Å; Q21-Y23 HydrophobicContact CB-CE1 3.62Å; Q21-Y23 HydrophobicContact CB-CE2 3.47Å; Q21-Y23 VanDerWaalsContact CB-CE2 3.47Å; Q21-Y23 HydrophobicContact CB-CG 4Å; Q21-Y23 HydrophobicContact CG-CD2 4.45Å; Q21-Y23 HydrophobicContact CG-CE1 4.32Å; Q21-Y23 HydrophobicContact CG-CE2 3.71Å; Q21-Y23 PolarHBondContact O-N 2.85Å; Y23-D774 WeakPolarHBondContact OH-CB 3.29Å; Y23-T775 HydrophobicContact CD1-CG2 4.13Å; Y23-T775 HydrophobicContact CD2-CG2 3.87Å; Y23-T775 HydrophobicContact CE1-CG2 4.18Å; Y23-T775 HydrophobicContact CE2-CG2 3.92Å; Y23-T775 HydrophobicContact CG-CG2 3.99Å; Y23-M777 HydrophobicContact CD2-CE 4.39Å; Y23-L778 HydrophobicContact CD1-CD1 4.03Å; Y23-L778 HydrophobicContact CE1-CD1 4.49Å |
| 24 | F | 97.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.8 | 177.9 | -56.1 | -26.7 | 0 | 0 | 0 | 113.7 | Y15 W18 G22 S135 V136 M777 | Y15-F24 HydrophobicContact CD2-CE2 4.49Å; Y15-F24 HydrophobicContact CD2-CZ 4.46Å; Y15-F24 AromaticContact CE2-CE2 3.82Å; Y15-F24 HydrophobicContact CE2-CE2 3.82Å; Y15-F24 HydrophobicContact CE2-CZ 4.09Å; Y15-F24 AromaticContact CZ-CE2 3.9Å; W18-F24 HydrophobicContact CB-CE1 3.91Å; W18-F24 HydrophobicContact CB-CE2 4.11Å; W18-F24 HydrophobicContact CB-CZ 3.51Å; W18-F24 HydrophobicContact CD2-CE1 4.43Å; W18-F24 HydrophobicContact CD2-CZ 4.17Å; W18-F24 HydrophobicContact CE3-CE1 4.34Å; W18-F24 AromaticContact CE3-CZ 3.79Å; W18-F24 HydrophobicContact CE3-CZ 3.79Å; W18-F24 HydrophobicContact CG-CE1 4.34Å; W18-F24 HydrophobicContact CG-CZ 4.15Å; G22-F24 PolarHBondContact O-N 3.42Å; G22-F24 VanDerWaalsContact O-N 3.09Å; F24-S135 VanDerWaalsContact CE1-CB 3.49Å; F24-V136 VanDerWaalsContact CB-O 3.3Å; F24-V136 WeakPolarHBondContact CB-O 3.31Å; F24-V136 WeakPolarHBondContact CD2-O 3.38Å; F24-M777 HydrophobicContact CD1-SD 3.91Å; F24-M777 HydrophobicContact CE1-CE 3.91Å; F24-M777 HydrophobicContact CE1-SD 3.74Å |
| 25 | K | 96.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -65.6 | 150 | -179.2 | -63.8 | -172.7 | -179.3 | -168.7 | 0 | 110.8 | G22 E139 | G22-K25 WeakPolarHBondContact O-CB 3.46Å; G22-K25 WeakPolarHBondContact O-CG 3.4Å; G22-K25 PolarHBondContact O-N 3.43Å; G22-K25 VanDerWaalsContact O-N 3.09Å; K25-E139 WeakPolarHBondContact CE-OE2 3.28Å; K25-E139 IonicContact NZ-OE1 2.8Å; K25-E139 PolarHBondContact NZ-OE1 2.96Å; K25-E139 IonicContact NZ-OE2 2.9Å; K25-E139 PolarHBondContact NZ-OE2 2.97Å |
| 26 | P | 96.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 16% | 0.156 | 33% | 0.333 | C | S | . | . | trans | -57.5 | 141.6 | 167.4 | -16.2 | 28.3 | 0 | 0 | 0 | 110.4 | G28 N72 T73 L74 F499 | P26-G28 PolarHBondContact O-N 3.25Å; P26-N72 WeakPolarHBondContact CB-OD1 3.47Å; P26-T73 WeakPolarHBondContact CA-O 3.48Å; P26-L74 HydrophobicContact CG-CB 4.2Å; P26-L74 HydrophobicContact CG-CD1 4Å; P26-F499 HydrophobicContact CB-CE1 4.48Å; P26-F499 HydrophobicContact CB-CE2 4.33Å; P26-F499 HydrophobicContact CB-CZ 3.61Å; P26-F499 HydrophobicContact CG-CE2 4.27Å; P26-F499 HydrophobicContact CG-CZ 3.89Å | ||
| 27 | N | 93.5 | Very high | 95.7 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | trans | -73.8 | -17.5 | -176.9 | 65.7 | 22.7 | 0 | 0 | 0 | 112.5 | D29 K71 N72 | N27-D29 PolarHBondContact O-N 2.92Å; N27-D29 WeakPolarHBondContact OD1-CB 3.4Å; N27-D29 PolarHBondContact OD1-N 2.84Å; N27-K71 PolarHBondContact ND2-O 3.43Å; N27-N72 PolarHBondContact N-OD1 2.99Å; N27-N72 VanDerWaalsContact N-OD1 3.08Å; N27-N72 WeakPolarHBondContact OD1-CB 3.11Å; N27-N72 PolarHBondContact OD1-OD1 3.42Å; N27-N72 VanDerWaalsContact OD1-OD1 3.14Å | ||
| 28 | G | 90.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 55.8 Ų | 55.8 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | trans | 71.7 | 9.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P26 E30 N72 | P26-G28 PolarHBondContact O-N 3.25Å; G28-E30 PolarHBondContact O-N 3.13Å; G28-E30 VanDerWaalsContact O-N 3.15Å; G28-N72 PolarHBondContact N-OD1 2.92Å; G28-N72 VanDerWaalsContact N-OD1 3.17Å | ||
| 29 | D | 91.5 | Very high | 95.6 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | trans | -78.8 | 95.7 | 176.3 | -173.1 | -4.7 | 0 | 0 | 0 | 110.1 | N27 S31 Q32 | N27-D29 PolarHBondContact O-N 2.92Å; N27-D29 WeakPolarHBondContact OD1-CB 3.4Å; N27-D29 PolarHBondContact OD1-N 2.84Å; D29-S31 VanDerWaalsContact CG-OG 3.25Å; D29-S31 PolarHBondContact O-N 3.44Å; D29-S31 VanDerWaalsContact OD1-CB 3.25Å; D29-S31 WeakPolarHBondContact OD1-CB 3.27Å; D29-S31 PolarHBondContact OD1-N 3.15Å; D29-S31 PolarHBondContact OD1-OG 2.91Å; D29-S31 PolarHBondContact OD2-OG 2.82Å; D29-Q32 HydrophobicContact CB-CG 4.13Å; D29-Q32 PolarHBondContact O-N 2.76Å; D29-Q32 VanDerWaalsContact O-N 3.09Å; D29-Q32 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 30 | E | 89 | Confident | 95.5 | Very high | 143 Ų | 143 | 53.8 Ų | 53.8 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.6 | 177.9 | -60.6 | -173.2 | 162.7 | 0 | 0 | 113.6 | G28 Q32 Q498 | G28-E30 PolarHBondContact O-N 3.13Å; G28-E30 VanDerWaalsContact O-N 3.15Å; E30-Q32 VanDerWaalsContact C-N 3.26Å; E30-Q498 PolarHBondContact OE1-NE2 2.97Å |
| 31 | S | 93.1 | Very high | 95.4 | Very high | 93 Ų | 93 | 46 Ų | 46 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.9 | 171.9 | 78.2 | 0 | 0 | 0 | 0 | 112.9 | D29 | D29-S31 VanDerWaalsContact CG-OG 3.25Å; D29-S31 PolarHBondContact O-N 3.44Å; D29-S31 VanDerWaalsContact OD1-CB 3.25Å; D29-S31 WeakPolarHBondContact OD1-CB 3.27Å; D29-S31 PolarHBondContact OD1-N 3.15Å; D29-S31 PolarHBondContact OD1-OG 2.91Å; D29-S31 PolarHBondContact OD2-OG 2.82Å |
| 32 | Q | 93.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 39% | 0.388 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -98.8 | 153.3 | 178 | -58 | -58.7 | -37.9 | 0 | 0 | 111.2 | D29 E30 S34 G70 | D29-Q32 HydrophobicContact CB-CG 4.13Å; D29-Q32 PolarHBondContact O-N 2.76Å; D29-Q32 VanDerWaalsContact O-N 3.09Å; D29-Q32 WeakPolarHBondContact OD2-CG 3.38Å; E30-Q32 VanDerWaalsContact C-N 3.26Å; Q32-S34 PolarHBondContact O-N 2.62Å; Q32-G70 WeakPolarHBondContact CG-O 3.22Å |
| 33 | E | 96 | Very high | 95.2 | Very high | 118 Ų | 118 | 44.4 Ų | 44.4 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -61.7 | 133.4 | 172 | -168.5 | -166.2 | 145.2 | 0 | 0 | 110.4 | K71 N72 | E33-K71 HydrophobicContact CB-CD 4.26Å; E33-K71 HydrophobicContact CB-CG 4.46Å; E33-K71 HydrophobicContact CG-CD 4.45Å; E33-K71 WeakPolarHBondContact O-CA 3.25Å; E33-K71 VanDerWaalsContact O-CB 3.28Å; E33-K71 WeakPolarHBondContact O-CB 3.44Å; E33-K71 IonicContact OE1-NZ 3.51Å; E33-K71 PolarHBondContact OE1-NZ 3.43Å; E33-K71 WeakPolarHBondContact OE2-CE 3.34Å; E33-K71 IonicContact OE2-NZ 2.77Å; E33-K71 PolarHBondContact OE2-NZ 3.42Å; E33-N72 PolarHBondContact O-N 3.03Å |
| 34 | S | 97.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 43 Ų | 43 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 140.1 | 171.5 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | Q32 N72 Q498 | Q32-S34 PolarHBondContact O-N 2.62Å; S34-N72 CarbonylContact C-O 3.59Å; S34-N72 VanDerWaalsContact CA-O 3.31Å; S34-N72 WeakPolarHBondContact CA-O 3.32Å; S34-Q498 WeakPolarHBondContact CB-O 3.47Å; S34-Q498 PolarHBondContact OG-O 2.72Å |
| 35 | F | 98.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 44 Ų | 44 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 113.6 | 171.7 | -171.9 | -88.8 | 0 | 0 | 0 | 110.7 | I37 M62 I63 Q66 K71 N72 T73 L74 S503 V504 | F35-I37 HydrophobicContact CD1-CG1 4.45Å; F35-I37 HydrophobicContact CE1-CD1 3.67Å; F35-I37 HydrophobicContact CE1-CG1 3.73Å; F35-I37 HydrophobicContact CZ-CD1 4.14Å; F35-I37 HydrophobicContact CZ-CG1 4.31Å; F35-M62 HydrophobicContact CE1-CB 4.29Å; F35-M62 HydrophobicContact CZ-CB 4.4Å; F35-I63 HydrophobicContact CD1-CD1 4.07Å; F35-I63 HydrophobicContact CE1-CD1 4.26Å; F35-Q66 HydrophobicContact CB-CB 4.17Å; F35-Q66 HydrophobicContact CB-CG 4.49Å; F35-Q66 HydrophobicContact CD1-CB 3.81Å; F35-Q66 HydrophobicContact CD1-CG 3.68Å; F35-Q66 HydrophobicContact CD2-CB 4.36Å; F35-Q66 HydrophobicContact CD2-CG 3.77Å; F35-Q66 HydrophobicContact CE1-CB 4.28Å; F35-Q66 HydrophobicContact CE1-CG 3.69Å; F35-Q66 HydrophobicContact CE2-CG 3.78Å; F35-Q66 HydrophobicContact CG-CB 3.86Å; F35-Q66 HydrophobicContact CG-CG 3.71Å; F35-Q66 HydrophobicContact CZ-CG 3.75Å; F35-K71 HydrophobicContact CB-CB 4.28Å; F35-K71 HydrophobicContact CB-CD 3.98Å; F35-N72 PolarHBondContact N-O 2.85Å; F35-T73 HydrophobicContact CB-CG2 4.31Å; F35-T73 CarbonylContact O-C 3.3Å; F35-T73 VanDerWaalsContact O-CA 3.25Å; F35-T73 WeakPolarHBondContact O-CA 3.32Å; F35-L74 PolarHBondContact O-N 2.74Å; F35-S503 WeakPolarHBondContact CA-OG 3.46Å; F35-V504 HydrophobicContact CE2-CG2 4.19Å; F35-V504 HydrophobicContact CZ-CG2 3.84Å |
| 36 | C | 98.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.4 | -173.7 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | L74 F499 T502 S503 V504 | C36-L74 VanDerWaalsContact CA-O 3.29Å; C36-L74 WeakPolarHBondContact CA-O 3.06Å; C36-F499 HydrophobicContact CB-CB 3.97Å; C36-F499 HydrophobicContact CB-CD1 3.98Å; C36-F499 HydrophobicContact CB-CG 4.39Å; C36-T502 HydrophobicContact CB-CG2 4.2Å; C36-S503 PolarHBondContact N-OG 2.98Å; C36-S503 WeakPolarHBondContact O-CB 3.29Å; C36-S503 PolarHBondContact O-N 3.18Å; C36-V504 PolarHBondContact O-N 3.45Å |
| 37 | I | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.8 | 168.9 | -60.7 | -172 | 0 | 0 | 0 | 108.6 | F35 M59 M62 I63 L74 W75 Q76 V504 | F35-I37 HydrophobicContact CD1-CG1 4.45Å; F35-I37 HydrophobicContact CE1-CD1 3.67Å; F35-I37 HydrophobicContact CE1-CG1 3.73Å; F35-I37 HydrophobicContact CZ-CD1 4.14Å; F35-I37 HydrophobicContact CZ-CG1 4.31Å; I37-M59 HydrophobicContact CG2-CB 4.16Å; I37-M59 HydrophobicContact CG2-CG 3.73Å; I37-M59 HydrophobicContact CG2-SD 3.55Å; I37-M59 VanDerWaalsContact CG2-SD 3.55Å; I37-M62 HydrophobicContact CD1-CB 3.94Å; I37-M62 HydrophobicContact CD1-CE 3.74Å; I37-M62 HydrophobicContact CD1-SD 4.17Å; I37-I63 HydrophobicContact CB-CD1 4.2Å; I37-I63 HydrophobicContact CB-CG1 4.48Å; I37-I63 HydrophobicContact CD1-CD1 4.35Å; I37-I63 HydrophobicContact CD1-CG1 4.17Å; I37-I63 HydrophobicContact CG1-CD1 4.11Å; I37-I63 HydrophobicContact CG1-CG1 4.42Å; I37-L74 PolarHBondContact N-O 3.49Å; I37-W75 WeakPolarHBondContact O-CA 3.26Å; I37-Q76 PolarHBondContact O-N 3.4Å; I37-V504 HydrophobicContact CD1-CB 4.1Å; I37-V504 HydrophobicContact CG1-CB 4.09Å |
| 38 | M | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.2 | 172.6 | -54.8 | -62.2 | -72.6 | 0 | 0 | 109.3 | P40 Q76 W482 T483 T486 T502 M505 | M38-P40 WeakPolarHBondContact O-CD 3.32Å; M38-Q76 HydrophobicContact CE-CB 3.89Å; M38-Q76 HydrophobicContact CE-CG 3.5Å; M38-Q76 VanDerWaalsContact CE-CG 3.5Å; M38-Q76 HydrophobicContact SD-CB 3.42Å; M38-Q76 WeakPolarHBondContact SD-CB 3.3Å; M38-Q76 HydrophobicContact SD-CG 3.74Å; M38-W482 HydrophobicContact CE-CD2 4.5Å; M38-W482 HydrophobicContact CE-CG 4.04Å; M38-W482 WeakPolarHBondContact CE-O 3.17Å; M38-T483 HydrophobicContact CG-CG2 4.06Å; M38-T486 HydrophobicContact CE-CG2 4.12Å; M38-T486 WeakPolarHBondContact CE-OG1 3.3Å; M38-T502 HydrophobicContact CG-CG2 3.87Å; M38-T502 HydrophobicContact SD-CG2 4.06Å; M38-M505 HydrophobicContact CB-CE 3.83Å; M38-M505 HydrophobicContact CG-CE 4.25Å |
| 39 | I | 96.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -68.6 | 128.5 | 170.4 | -64.4 | 173.2 | 0 | 0 | 0 | 107.8 | P41 M59 W75 Q76 V77 M129 V136 W482 | I39-P41 VanDerWaalsContact O-CD 3.22Å; I39-P41 WeakPolarHBondContact O-CD 3.41Å; I39-M59 HydrophobicContact CG1-CE 4.34Å; I39-M59 HydrophobicContact CG1-SD 4.42Å; I39-M59 HydrophobicContact CG2-CE 4.37Å; I39-W75 HydrophobicContact CD1-CD2 4.11Å; I39-W75 HydrophobicContact CD1-CG 4.39Å; I39-W75 HydrophobicContact CD1-CZ2 3.83Å; I39-W75 HydrophobicContact CG1-CD2 4.24Å; I39-W75 VanDerWaalsContact CG1-CE2 3.42Å; I39-W75 HydrophobicContact CG1-CG 4.31Å; I39-W75 HydrophobicContact CG1-CZ2 3.81Å; I39-Q76 WeakPolarHBondContact CB-O 3.48Å; I39-Q76 WeakPolarHBondContact CG1-O 3.49Å; I39-Q76 PolarHBondContact N-O 2.99Å; I39-V77 HydrophobicContact CD1-CB 3.8Å; I39-V77 HydrophobicContact CD1-CG2 3.94Å; I39-M129 HydrophobicContact CD1-CE 3.53Å; I39-V136 HydrophobicContact CD1-CG1 3.6Å; I39-W482 PolarHBondContact O-NE1 3.31Å | ||
| 40 | P | 95 | Very high | 94 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | trans | -52.7 | 108.9 | 161.8 | -23.3 | 34.3 | 0 | 0 | 0 | 109.1 | M38 P42 V506 W515 | M38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-P42 WeakPolarHBondContact O-CD 3.11Å; P40-P42 VanDerWaalsContact O-N 3.1Å; P40-V506 WeakPolarHBondContact CG-O 3.41Å; P40-W515 HydrophobicContact CB-CE3 4.5Å; P40-W515 HydrophobicContact CB-CH2 3.78Å; P40-W515 HydrophobicContact CB-CZ3 3.5Å; P40-W515 HydrophobicContact CG-CH2 4.05Å; P40-W515 HydrophobicContact CG-CZ3 3.74Å | ||
| 41 | P | 95.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 29 Ų | 29 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 118.8 | -166.6 | 24.6 | -32.3 | 0 | 0 | 0 | 108.5 | I39 N43 D80 W482 W515 | I39-P41 VanDerWaalsContact O-CD 3.22Å; I39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-N43 PolarHBondContact O-N 3.43Å; P41-D80 HydrophobicContact CB-CB 3.99Å; P41-D80 HydrophobicContact CG-CB 4.05Å; P41-W482 HydrophobicContact CB-CH2 4.09Å; P41-W482 HydrophobicContact CB-CZ2 3.77Å; P41-W482 HydrophobicContact CG-CD2 4.17Å; P41-W482 HydrophobicContact CG-CZ2 4.28Å; P41-W515 HydrophobicContact CG-CZ2 4.48Å |
| 42 | P | 94.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 138.4 | -180 | -21.6 | 34.3 | 0 | 0 | 0 | 110.5 | P40 L48 G78 D80 I125 | P40-P42 WeakPolarHBondContact O-CD 3.11Å; P40-P42 VanDerWaalsContact O-N 3.1Å; P42-L48 HydrophobicContact CB-CD2 3.52Å; P42-L48 HydrophobicContact CG-CD2 3.76Å; P42-G78 WeakPolarHBondContact CD-O 3.22Å; P42-D80 PolarHBondContact O-N 2.85Å; P42-I125 HydrophobicContact CB-CD1 4.3Å; P42-I125 HydrophobicContact CB-CG2 4.21Å; P42-I125 HydrophobicContact CG-CG2 4.18Å |
| 43 | N | 94 | Very high | 94.5 | Very high | 76 Ų | 76 | 22.5 Ų | 22.5 | 41% | 0.406 | 13% | 0.13 | S | C | . | . | B | Isolated β-bridge | trans | -65.8 | 132.8 | 177.2 | -65 | -2.4 | 0 | 0 | 0 | 110.5 | P41 T45 A82 | P41-N43 PolarHBondContact O-N 3.43Å; N43-T45 HydrophobicContact CB-CG2 3.87Å; N43-T45 PolarHBondContact O-N 2.91Å; N43-T45 PolarHBondContact O-OG1 2.9Å; N43-A82 HydrophobicContact CB-CB 3.55Å; N43-A82 VanDerWaalsContact CG-CB 3.44Å |
| 44 | V | 93.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -72.3 | 55.4 | 175.4 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | T79 D80 T86 W117 K118 S121 I125 F143 | V44-T79 HydrophobicContact CG1-CG2 4.32Å; V44-D80 WeakPolarHBondContact CG2-O 3.49Å; V44-D80 PolarHBondContact N-O 2.9Å; V44-T86 HydrophobicContact CG2-CG2 3.91Å; V44-W117 PolarHBondContact O-NE1 3.29Å; V44-K118 HydrophobicContact CG1-CG 4.28Å; V44-K118 HydrophobicContact CG2-CG 4.42Å; V44-S121 VanDerWaalsContact C-OG 3.26Å; V44-S121 WeakPolarHBondContact CA-OG 3.41Å; V44-I125 HydrophobicContact CG1-CD1 4.45Å; V44-F143 HydrophobicContact CG1-CE2 4.1Å; V44-F143 HydrophobicContact CG2-CE2 4.31Å |
| 45 | T | 88.2 | Confident | 94.4 | Very high | 27 Ų | 27 | 16.9 Ų | 16.9 | 17% | 0.166 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -113.9 | 14.6 | -174.7 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | N43 A82 A85 S121 K557 | N43-T45 HydrophobicContact CB-CG2 3.87Å; N43-T45 PolarHBondContact O-N 2.91Å; N43-T45 PolarHBondContact O-OG1 2.9Å; T45-A82 HydrophobicContact CG2-CB 4.36Å; T45-A85 HydrophobicContact CG2-CB 3.95Å; T45-S121 PolarHBondContact N-OG 3.41Å; T45-K557 PolarHBondContact O-NZ 3.08Å; T45-K557 PolarHBondContact OG1-NZ 3.02Å |
| 46 | G | 84.7 | Confident | 94.4 | Very high | 19 Ų | 19 | 16.4 Ų | 16.4 | 20% | 0.196 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 134.1 | -129.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S121 | G46-S121 WeakPolarHBondContact CA-OG 3.23Å; G46-S121 PolarHBondContact N-OG 3.49Å; G46-S121 PolarHBondContact O-OG 3.4Å |
| 47 | S | 90.6 | Very high | 94.4 | Very high | 41 Ų | 41 | 16.5 Ų | 16.5 | 29% | 0.287 | 10% | 0.098 | S | C | . | . | trans | -102 | 160.7 | -179 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 48 | L | 94.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | trans | -66 | 159.1 | 168.6 | -60.3 | -174.6 | 0 | 0 | 0 | 111.5 | P42 H52 I125 Q128 M129 | P42-L48 HydrophobicContact CB-CD2 3.52Å; P42-L48 HydrophobicContact CG-CD2 3.76Å; L48-H52 HydrophobicContact CB-CB 4.12Å; L48-H52 HydrophobicContact CD1-CB 4.4Å; L48-H52 HydrophobicContact CD2-CB 3.98Å; L48-H52 HydrophobicContact CG-CB 4.41Å; L48-I125 HydrophobicContact CD1-CG2 4.32Å; L48-I125 HydrophobicContact CD2-CG1 4.12Å; L48-I125 HydrophobicContact CD2-CG2 3.96Å; L48-I125 HydrophobicContact CG-CG1 4.33Å; L48-I125 HydrophobicContact CG-CG2 4.2Å; L48-Q128 HydrophobicContact CD1-CB 4.01Å; L48-Q128 HydrophobicContact CG-CB 4.36Å; L48-Q128 PolarHBondContact O-NE2 3.05Å; L48-M129 HydrophobicContact CD1-CG 3.64Å | ||
| 49 | H | 92.2 | Very high | 94.5 | Very high | 52 Ų | 52 | 16.5 Ų | 16.5 | 24% | 0.241 | 10% | 0.099 | C | C | . | . | trans | -130.1 | 171.2 | 177.6 | 60.5 | 56.7 | 0 | 0 | 0 | 110.8 | G51 H52 A53 V562 I563 | H49-G51 WeakPolarHBondContact ND1-CA 3.39Å; H49-G51 PolarHBondContact ND1-N 3.14Å; H49-G51 PolarHBondContact O-N 3.08Å; H49-H52 AromaticContact CD2-CE1 3.41Å; H49-H52 PolarHBondContact CD2-CE1 3.34Å; H49-H52 VanDerWaalsContact CD2-CE1 3.41Å; H49-H52 AromaticContact CD2-ND1 3.4Å; H49-H52 PolarHBondContact CD2-ND1 3.38Å; H49-H52 AromaticContact CE1-CE1 3.47Å; H49-H52 PolarHBondContact CE1-CE1 2.94Å; H49-H52 VanDerWaalsContact CE1-CE1 3.47Å; H49-H52 AromaticContact CE1-ND1 3.21Å; H49-H52 PolarHBondContact CE1-ND1 3.3Å; H49-H52 AromaticContact CG-CE1 3.85Å; H49-H52 AromaticContact CG-ND1 3.33Å; H49-H52 VanDerWaalsContact CG-ND1 3.33Å; H49-H52 PolarHBondContact N-ND1 3.12Å; H49-H52 AromaticContact ND1-CE1 3.87Å; H49-H52 PolarHBondContact ND1-N 3.38Å; H49-H52 AromaticContact ND1-ND1 3.2Å; H49-H52 PolarHBondContact ND1-ND1 3.16Å; H49-H52 AromaticContact NE2-CE1 3.16Å; H49-H52 PolarHBondContact NE2-CE1 3.21Å; H49-H52 AromaticContact NE2-ND1 3.34Å; H49-H52 PolarHBondContact NE2-ND1 2.82Å; H49-H52 WeakPolarHBondContact O-CA 3.41Å; H49-H52 WeakPolarHBondContact O-CB 3.32Å; H49-H52 PolarHBondContact O-N 2.84Å; H49-A53 PolarHBondContact O-N 2.81Å; H49-V562 HydrophobicContact CB-CG1 3.5Å; H49-V562 VanDerWaalsContact CB-CG1 3.5Å; H49-I563 VanDerWaalsContact CA-O 3.31Å; H49-I563 WeakPolarHBondContact CA-O 3.39Å | ||
| 50 | M | 93.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -48.2 | -39.5 | -179.7 | -65.1 | -58.9 | -63 | 0 | 0 | 114.7 | H52 A53 F54 I547 M555 I563 P565 M568 L614 L618 W630 | M50-H52 VanDerWaalsContact C-N 3.3Å; M50-H52 PolarHBondContact O-N 3.26Å; M50-A53 PolarHBondContact O-N 3Å; M50-F54 WeakPolarHBondContact O-CB 3.44Å; M50-F54 PolarHBondContact O-N 3.41Å; M50-I547 HydrophobicContact CB-CD1 3.79Å; M50-I547 HydrophobicContact CB-CG2 4.42Å; M50-I547 VanDerWaalsContact O-CD1 3.29Å; M50-I547 WeakPolarHBondContact O-CD1 3.41Å; M50-M555 HydrophobicContact CB-SD 4.13Å; M50-M555 HydrophobicContact CG-SD 4.38Å; M50-I563 HydrophobicContact CG-CB 3.8Å; M50-I563 HydrophobicContact CG-CG2 4.07Å; M50-I563 PolarHBondContact N-O 2.94Å; M50-I563 VanDerWaalsContact N-O 3.15Å; M50-I563 HydrophobicContact SD-CG2 4.24Å; M50-P565 HydrophobicContact SD-CB 3.85Å; M50-M568 HydrophobicContact SD-CG 4.19Å; M50-L614 HydrophobicContact CE-CD1 3.59Å; M50-L618 HydrophobicContact CE-CD2 4.14Å; M50-W630 HydrophobicContact CE-CD2 3.89Å; M50-W630 HydrophobicContact CE-CE3 3.59Å; M50-W630 HydrophobicContact CE-CH2 3.31Å; M50-W630 HydrophobicContact CE-CZ2 3.58Å; M50-W630 HydrophobicContact CE-CZ3 3.3Å |
| 51 | G | 93.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 15.6 Ų | 15.6 | 17% | 0.165 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.9 | -38.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H49 Q55 | H49-G51 WeakPolarHBondContact ND1-CA 3.39Å; H49-G51 PolarHBondContact ND1-N 3.14Å; H49-G51 PolarHBondContact O-N 3.08Å; G51-Q55 PolarHBondContact O-N 3.08Å |
| 52 | H | 95.2 | Very high | 94.9 | Very high | 38 Ų | 38 | 15.4 Ų | 15.4 | 18% | 0.176 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.3 | -46.1 | 174.5 | -61.8 | 99.7 | 0 | 0 | 0 | 110.7 | L48 H49 M50 F54 Q55 Q56 | L48-H52 HydrophobicContact CB-CB 4.12Å; L48-H52 HydrophobicContact CD1-CB 4.4Å; L48-H52 HydrophobicContact CD2-CB 3.98Å; L48-H52 HydrophobicContact CG-CB 4.41Å; H49-H52 AromaticContact CD2-CE1 3.41Å; H49-H52 PolarHBondContact CD2-CE1 3.34Å; H49-H52 VanDerWaalsContact CD2-CE1 3.41Å; H49-H52 AromaticContact CD2-ND1 3.4Å; H49-H52 PolarHBondContact CD2-ND1 3.38Å; H49-H52 AromaticContact CE1-CE1 3.47Å; H49-H52 PolarHBondContact CE1-CE1 2.94Å; H49-H52 VanDerWaalsContact CE1-CE1 3.47Å; H49-H52 AromaticContact CE1-ND1 3.21Å; H49-H52 PolarHBondContact CE1-ND1 3.3Å; H49-H52 AromaticContact CG-CE1 3.85Å; H49-H52 AromaticContact CG-ND1 3.33Å; H49-H52 VanDerWaalsContact CG-ND1 3.33Å; H49-H52 PolarHBondContact N-ND1 3.12Å; H49-H52 AromaticContact ND1-CE1 3.87Å; H49-H52 PolarHBondContact ND1-N 3.38Å; H49-H52 AromaticContact ND1-ND1 3.2Å; H49-H52 PolarHBondContact ND1-ND1 3.16Å; H49-H52 AromaticContact NE2-CE1 3.16Å; H49-H52 PolarHBondContact NE2-CE1 3.21Å; H49-H52 AromaticContact NE2-ND1 3.34Å; H49-H52 PolarHBondContact NE2-ND1 2.82Å; H49-H52 WeakPolarHBondContact O-CA 3.41Å; H49-H52 WeakPolarHBondContact O-CB 3.32Å; H49-H52 PolarHBondContact O-N 2.84Å; M50-H52 VanDerWaalsContact C-N 3.3Å; M50-H52 PolarHBondContact O-N 3.26Å; H52-F54 PolarHBondContact O-N 2.7Å; H52-Q55 PolarHBondContact O-N 3.49Å; H52-Q56 VanDerWaalsContact O-CB 3.26Å; H52-Q56 WeakPolarHBondContact O-CB 3.32Å; H52-Q56 WeakPolarHBondContact O-CG 3.37Å; H52-Q56 PolarHBondContact O-N 3.21Å |
| 53 | A | 96.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.2 | -38 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | H49 M50 T57 L132 P565 L618 | H49-A53 PolarHBondContact O-N 2.81Å; M50-A53 PolarHBondContact O-N 3Å; A53-T57 WeakPolarHBondContact O-CB 3.24Å; A53-T57 PolarHBondContact O-N 3.19Å; A53-T57 PolarHBondContact O-OG1 3.31Å; A53-L132 HydrophobicContact CB-CD1 3.95Å; A53-L132 HydrophobicContact CB-CD2 4.16Å; A53-P565 HydrophobicContact CB-CB 3.65Å; A53-P565 HydrophobicContact CB-CG 4.02Å; A53-L618 HydrophobicContact CB-CD1 3.98Å |
| 54 | F | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 1% | 0.013 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.7 | -57 | 174.5 | 178 | -101.5 | 0 | 0 | 0 | 112.1 | M50 H52 Q56 T57 I58 T544 I547 L618 A622 I628 | M50-F54 WeakPolarHBondContact O-CB 3.44Å; M50-F54 PolarHBondContact O-N 3.41Å; H52-F54 PolarHBondContact O-N 2.7Å; F54-Q56 VanDerWaalsContact C-N 3.29Å; F54-Q56 PolarHBondContact O-N 2.88Å; F54-T57 PolarHBondContact O-N 3.24Å; F54-I58 HydrophobicContact CE1-CG1 4.49Å; F54-I58 HydrophobicContact CE2-CG1 4.48Å; F54-I58 HydrophobicContact CZ-CG1 4.28Å; F54-I58 WeakPolarHBondContact O-CG1 3.32Å; F54-I58 PolarHBondContact O-N 3.22Å; F54-I58 VanDerWaalsContact O-N 3.16Å; F54-T544 HydrophobicContact CD1-CG2 4.22Å; F54-T544 HydrophobicContact CE1-CG2 3.57Å; F54-I547 HydrophobicContact CB-CD1 3.7Å; F54-I547 HydrophobicContact CB-CG1 4.5Å; F54-I547 HydrophobicContact CG-CD1 4.28Å; F54-L618 HydrophobicContact CB-CD2 3.96Å; F54-L618 HydrophobicContact CD2-CB 4.02Å; F54-L618 HydrophobicContact CD2-CD2 3.97Å; F54-L618 VanDerWaalsContact CE2-O 3.26Å; F54-L618 WeakPolarHBondContact CE2-O 3.36Å; F54-L618 HydrophobicContact CG-CD2 4.47Å; F54-A622 HydrophobicContact CE2-CB 3.65Å; F54-A622 HydrophobicContact CZ-CB 3.6Å; F54-I628 HydrophobicContact CD1-CD1 4.05Å; F54-I628 HydrophobicContact CD2-CD1 4.3Å; F54-I628 HydrophobicContact CE1-CD1 3.54Å; F54-I628 HydrophobicContact CE2-CD1 3.79Å; F54-I628 HydrophobicContact CG-CD1 4.43Å; F54-I628 HydrophobicContact CZ-CD1 3.39Å |
| 55 | Q | 96.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 11.8 Ų | 11.8 | 14% | 0.14 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 179.5 | -70.3 | 178.7 | -31.6 | 0 | 0 | 111.6 | G51 H52 I58 M59 V506 T544 | G51-Q55 PolarHBondContact O-N 3.08Å; H52-Q55 PolarHBondContact O-N 3.49Å; Q55-I58 PolarHBondContact O-N 3.07Å; Q55-M59 HydrophobicContact CB-CE 4.1Å; Q55-M59 WeakPolarHBondContact O-CE 3.49Å; Q55-M59 WeakPolarHBondContact O-CG 3.41Å; Q55-M59 PolarHBondContact O-N 2.93Å; Q55-V506 HydrophobicContact CB-CG1 4.21Å; Q55-V506 HydrophobicContact CG-CG1 4.21Å; Q55-T544 HydrophobicContact CG-CG2 4.22Å |
| 56 | Q | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 177.4 | -71.8 | 172.2 | 6.7 | 0 | 0 | 112.6 | H52 F54 I58 M59 D60 W75 N134 | H52-Q56 VanDerWaalsContact O-CB 3.26Å; H52-Q56 WeakPolarHBondContact O-CB 3.32Å; H52-Q56 WeakPolarHBondContact O-CG 3.37Å; H52-Q56 PolarHBondContact O-N 3.21Å; F54-Q56 VanDerWaalsContact C-N 3.29Å; F54-Q56 PolarHBondContact O-N 2.88Å; Q56-I58 VanDerWaalsContact C-N 3.32Å; Q56-I58 PolarHBondContact O-N 3.42Å; Q56-M59 HydrophobicContact CG-CE 4.28Å; Q56-M59 PolarHBondContact O-N 2.88Å; Q56-D60 WeakPolarHBondContact O-CB 3.31Å; Q56-D60 PolarHBondContact O-N 2.93Å; Q56-W75 HydrophobicContact CB-CH2 4.07Å; Q56-W75 HydrophobicContact CB-CZ2 4.29Å; Q56-W75 HydrophobicContact CG-CH2 4.39Å; Q56-W75 HydrophobicContact CG-CZ2 4.3Å; Q56-W75 WeakPolarHBondContact O-CH2 3.43Å; Q56-N134 PolarHBondContact OE1-ND2 3.38Å |
| 57 | T | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 2% | 0.018 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.3 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | A53 F54 T61 R615 L618 | A53-T57 WeakPolarHBondContact O-CB 3.24Å; A53-T57 PolarHBondContact O-N 3.19Å; A53-T57 PolarHBondContact O-OG1 3.31Å; F54-T57 PolarHBondContact O-N 3.24Å; T57-T61 VanDerWaalsContact O-CB 3.31Å; T57-T61 WeakPolarHBondContact O-CB 3.33Å; T57-T61 PolarHBondContact O-N 2.76Å; T57-T61 PolarHBondContact O-OG1 3.35Å; T57-R615 HydrophobicContact CG2-CB 3.86Å; T57-R615 HydrophobicContact CG2-CG 4.18Å; T57-R615 WeakPolarHBondContact CG2-O 3.27Å; T57-L618 HydrophobicContact CG2-CB 4.21Å; T57-L618 WeakPolarHBondContact OG1-CD1 3.38Å |
| 58 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67 | -48.8 | -179.1 | -61.9 | -63.5 | 0 | 0 | 0 | 111.4 | F54 Q55 Q56 D60 T61 M62 Y542 A622 F697 | F54-I58 HydrophobicContact CE1-CG1 4.49Å; F54-I58 HydrophobicContact CE2-CG1 4.48Å; F54-I58 HydrophobicContact CZ-CG1 4.28Å; F54-I58 WeakPolarHBondContact O-CG1 3.32Å; F54-I58 PolarHBondContact O-N 3.22Å; F54-I58 VanDerWaalsContact O-N 3.16Å; Q55-I58 PolarHBondContact O-N 3.07Å; Q56-I58 VanDerWaalsContact C-N 3.32Å; Q56-I58 PolarHBondContact O-N 3.42Å; I58-D60 PolarHBondContact O-N 2.84Å; I58-T61 PolarHBondContact O-N 3.46Å; I58-M62 HydrophobicContact CG2-CE 3.87Å; I58-M62 PolarHBondContact O-N 2.79Å; I58-M62 VanDerWaalsContact O-N 3.12Å; I58-Y542 HydrophobicContact CG2-CD1 4.16Å; I58-Y542 HydrophobicContact CG2-CE1 3.72Å; I58-A622 HydrophobicContact CD1-CB 3.55Å; I58-A622 HydrophobicContact CG1-CB 4.41Å; I58-F697 HydrophobicContact CD1-CB 3.67Å; I58-F697 HydrophobicContact CD1-CD1 4.07Å; I58-F697 HydrophobicContact CD1-CD2 3.71Å; I58-F697 HydrophobicContact CD1-CE2 4.39Å; I58-F697 HydrophobicContact CD1-CG 3.53Å; I58-F697 HydrophobicContact CG2-CD1 4.43Å; I58-F697 HydrophobicContact CG2-CD2 3.84Å; I58-F697 HydrophobicContact CG2-CE1 4.07Å; I58-F697 HydrophobicContact CG2-CE2 3.42Å; I58-F697 VanDerWaalsContact CG2-CE2 3.42Å; I58-F697 HydrophobicContact CG2-CG 4.33Å; I58-F697 HydrophobicContact CG2-CZ 3.56Å |
| 59 | M | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.7 | -70.9 | -173.1 | -80.2 | 0 | 0 | 112 | I37 I39 Q55 Q56 T61 M62 I63 W75 V506 | I37-M59 HydrophobicContact CG2-CB 4.16Å; I37-M59 HydrophobicContact CG2-CG 3.73Å; I37-M59 HydrophobicContact CG2-SD 3.55Å; I37-M59 VanDerWaalsContact CG2-SD 3.55Å; I39-M59 HydrophobicContact CG1-CE 4.34Å; I39-M59 HydrophobicContact CG1-SD 4.42Å; I39-M59 HydrophobicContact CG2-CE 4.37Å; Q55-M59 HydrophobicContact CB-CE 4.1Å; Q55-M59 WeakPolarHBondContact O-CE 3.49Å; Q55-M59 WeakPolarHBondContact O-CG 3.41Å; Q55-M59 PolarHBondContact O-N 2.93Å; Q56-M59 HydrophobicContact CG-CE 4.28Å; Q56-M59 PolarHBondContact O-N 2.88Å; M59-T61 VanDerWaalsContact C-N 3.33Å; M59-T61 PolarHBondContact O-N 3.25Å; M59-M62 PolarHBondContact O-N 2.92Å; M59-I63 VanDerWaalsContact O-CG1 3.31Å; M59-I63 WeakPolarHBondContact O-CG1 3.38Å; M59-I63 PolarHBondContact O-N 3.03Å; M59-W75 HydrophobicContact CB-CH2 4.4Å; M59-W75 HydrophobicContact CB-CZ2 3.5Å; M59-W75 HydrophobicContact CE-CZ2 3.95Å; M59-W75 HydrophobicContact CG-CZ2 4.46Å; M59-W75 HydrophobicContact SD-CZ2 4.26Å; M59-W75 PolarHBondContact SD-NE1 3.49Å; M59-V506 HydrophobicContact CG-CB 3.68Å; M59-V506 HydrophobicContact CG-CG1 4.16Å; M59-V506 HydrophobicContact CG-CG2 3.49Å; M59-V506 VanDerWaalsContact CG-CG2 3.49Å; M59-V506 HydrophobicContact SD-CB 4.04Å; M59-V506 HydrophobicContact SD-CG2 4.38Å |
| 60 | D | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 179.9 | -167 | 49.1 | 0 | 0 | 0 | 112.2 | Q56 I58 I63 R64 W75 S135 R615 | Q56-D60 WeakPolarHBondContact O-CB 3.31Å; Q56-D60 PolarHBondContact O-N 2.93Å; I58-D60 PolarHBondContact O-N 2.84Å; D60-I63 PolarHBondContact O-N 2.79Å; D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.47Å; D60-R64 PolarHBondContact O-N 2.81Å; D60-R64 IonicContact OD1-NE 3.55Å; D60-R64 IonicContact OD2-CZ 3.66Å; D60-R64 IonicContact OD2-NE 3.8Å; D60-R64 PolarHBondContact OD2-NE 3.04Å; D60-R64 IonicContact OD2-NH2 2.79Å; D60-W75 HydrophobicContact CB-CE3 4.18Å; D60-W75 HydrophobicContact CB-CH2 3.65Å; D60-W75 HydrophobicContact CB-CZ3 3.4Å; D60-W75 VanDerWaalsContact CB-CZ3 3.4Å; D60-W75 VanDerWaalsContact OD1-CZ3 3.27Å; D60-W75 WeakPolarHBondContact OD1-CZ3 3.45Å; D60-S135 WeakPolarHBondContact OD1-CB 3.4Å; D60-S135 PolarHBondContact OD1-N 3.15Å; D60-S135 PolarHBondContact OD1-OG 3.23Å; D60-R615 IonicContact OD2-CZ 3.92Å; D60-R615 IonicContact OD2-NH1 2.77Å; D60-R615 PolarHBondContact OD2-NH1 3.47Å; D60-R615 IonicContact OD2-NH2 3.45Å; D60-R615 PolarHBondContact OD2-NH2 3.31Å |
| 61 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.2 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | T57 I58 M59 Y65 L692 F697 P752 I753 | T57-T61 VanDerWaalsContact O-CB 3.31Å; T57-T61 WeakPolarHBondContact O-CB 3.33Å; T57-T61 PolarHBondContact O-N 2.76Å; T57-T61 PolarHBondContact O-OG1 3.35Å; I58-T61 PolarHBondContact O-N 3.46Å; M59-T61 VanDerWaalsContact C-N 3.33Å; M59-T61 PolarHBondContact O-N 3.25Å; T61-Y65 VanDerWaalsContact O-CB 3.23Å; T61-Y65 WeakPolarHBondContact O-CB 3.27Å; T61-Y65 PolarHBondContact O-N 2.94Å; T61-L692 HydrophobicContact CG2-CD2 4.06Å; T61-F697 HydrophobicContact CG2-CD1 4.19Å; T61-F697 HydrophobicContact CG2-CE1 4.31Å; T61-P752 WeakPolarHBondContact CA-O 3.31Å; T61-P752 HydrophobicContact CG2-CB 3.91Å; T61-P752 PolarHBondContact OG1-O 2.85Å; T61-I753 HydrophobicContact CG2-CG1 3.8Å |
| 62 | M | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 4% | 0.039 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 175.4 | -71.6 | -174.6 | -80.9 | 0 | 0 | 111.9 | F35 I37 I58 M59 Y65 Q66 V504 V506 F695 F697 | F35-M62 HydrophobicContact CE1-CB 4.29Å; F35-M62 HydrophobicContact CZ-CB 4.4Å; I37-M62 HydrophobicContact CD1-CB 3.94Å; I37-M62 HydrophobicContact CD1-CE 3.74Å; I37-M62 HydrophobicContact CD1-SD 4.17Å; I58-M62 HydrophobicContact CG2-CE 3.87Å; I58-M62 PolarHBondContact O-N 2.79Å; I58-M62 VanDerWaalsContact O-N 3.12Å; M59-M62 PolarHBondContact O-N 2.92Å; M62-Y65 PolarHBondContact O-N 2.77Å; M62-Q66 WeakPolarHBondContact O-CB 3.31Å; M62-Q66 WeakPolarHBondContact O-CG 3.43Å; M62-Q66 PolarHBondContact O-N 2.9Å; M62-V504 HydrophobicContact CE-CG1 4.13Å; M62-V504 HydrophobicContact SD-CG1 4.28Å; M62-V504 HydrophobicContact SD-CG2 4.35Å; M62-V506 HydrophobicContact CE-CG2 3.56Å; M62-F695 HydrophobicContact SD-CD1 3.86Å; M62-F695 HydrophobicContact SD-CE1 3.59Å; M62-F695 VanDerWaalsContact SD-CE1 3.59Å; M62-F697 HydrophobicContact CE-CZ 4.16Å; M62-F697 HydrophobicContact CG-CE1 3.77Å; M62-F697 HydrophobicContact CG-CZ 3.64Å; M62-F697 HydrophobicContact SD-CZ 3.84Å |
| 63 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | -179.2 | -72.6 | -74.3 | 0 | 0 | 0 | 111.3 | F35 I37 M59 D60 Q66 R67 W75 | F35-I63 HydrophobicContact CD1-CD1 4.07Å; F35-I63 HydrophobicContact CE1-CD1 4.26Å; I37-I63 HydrophobicContact CB-CD1 4.2Å; I37-I63 HydrophobicContact CB-CG1 4.48Å; I37-I63 HydrophobicContact CD1-CD1 4.35Å; I37-I63 HydrophobicContact CD1-CG1 4.17Å; I37-I63 HydrophobicContact CG1-CD1 4.11Å; I37-I63 HydrophobicContact CG1-CG1 4.42Å; M59-I63 VanDerWaalsContact O-CG1 3.31Å; M59-I63 WeakPolarHBondContact O-CG1 3.38Å; M59-I63 PolarHBondContact O-N 3.03Å; D60-I63 PolarHBondContact O-N 2.79Å; I63-Q66 PolarHBondContact O-N 2.98Å; I63-R67 VanDerWaalsContact O-CB 3.23Å; I63-R67 WeakPolarHBondContact O-CB 3.34Å; I63-R67 PolarHBondContact O-N 2.97Å; I63-W75 HydrophobicContact CD1-CB 3.79Å; I63-W75 HydrophobicContact CD1-CG 4.27Å; I63-W75 HydrophobicContact CG1-CB 3.77Å; I63-W75 HydrophobicContact CG1-CD2 4.27Å; I63-W75 HydrophobicContact CG1-CG 3.85Å; I63-W75 HydrophobicContact CG2-CB 4.23Å |
| 64 | R | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.8 | -71.4 | 175.7 | -176.9 | -84.7 | -0.9 | 111.4 | D60 R67 M68 G133 H751 P752 P755 | D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.47Å; D60-R64 PolarHBondContact O-N 2.81Å; D60-R64 IonicContact OD1-NE 3.55Å; D60-R64 IonicContact OD2-CZ 3.66Å; D60-R64 IonicContact OD2-NE 3.8Å; D60-R64 PolarHBondContact OD2-NE 3.04Å; D60-R64 IonicContact OD2-NH2 2.79Å; R64-R67 PolarHBondContact O-N 3.04Å; R64-M68 WeakPolarHBondContact O-CB 3.18Å; R64-M68 VanDerWaalsContact O-CG 3.24Å; R64-M68 WeakPolarHBondContact O-CG 3.37Å; R64-M68 PolarHBondContact O-N 3.39Å; R64-G133 PolarHBondContact NH2-O 2.9Å; R64-H751 PolarHBondContact NH1-NE2 3.11Å; R64-H751 VanDerWaalsContact NH1-NE2 3.14Å; R64-P752 HydrophobicContact CB-CB 4.04Å; R64-P752 HydrophobicContact CB-CG 4.4Å; R64-P755 VanDerWaalsContact CZ-CB 3.47Å |
| 65 | Y | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 10.7 Ų | 10.7 | 2% | 0.016 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.9 | -50.6 | 177.1 | 170.9 | -124.8 | 0 | 0 | 0 | 111.8 | T61 M62 R67 M68 Q69 L692 D693 F781 | T61-Y65 VanDerWaalsContact O-CB 3.23Å; T61-Y65 WeakPolarHBondContact O-CB 3.27Å; T61-Y65 PolarHBondContact O-N 2.94Å; M62-Y65 PolarHBondContact O-N 2.77Å; Y65-R67 VanDerWaalsContact C-N 3.35Å; Y65-R67 PolarHBondContact O-N 3.14Å; Y65-M68 PolarHBondContact O-N 2.91Å; Y65-Q69 HydrophobicContact CD2-CG 4.24Å; Y65-Q69 HydrophobicContact CE2-CG 4.03Å; Y65-Q69 WeakPolarHBondContact O-CG 3.23Å; Y65-Q69 PolarHBondContact O-N 3.49Å; Y65-Q69 PolarHBondContact OH-NE2 2.88Å; Y65-L692 HydrophobicContact CD1-CB 4.19Å; Y65-L692 HydrophobicContact CD1-CD1 4.08Å; Y65-L692 HydrophobicContact CD2-CD1 3.83Å; Y65-L692 HydrophobicContact CE1-CB 4Å; Y65-L692 HydrophobicContact CE1-CD1 4.39Å; Y65-L692 HydrophobicContact CE2-CD1 4.17Å; Y65-L692 HydrophobicContact CG-CD1 3.77Å; Y65-D693 WeakPolarHBondContact CE1-OD1 3.42Å; Y65-D693 PolarHBondContact OH-OD1 3.29Å; Y65-D693 PolarHBondContact OH-OD2 3.07Å; Y65-F781 AromaticContact CD2-CD1 3.93Å; Y65-F781 HydrophobicContact CD2-CD1 3.93Å; Y65-F781 HydrophobicContact CD2-CD2 4.01Å; Y65-F781 AromaticContact CD2-CE1 3.94Å; Y65-F781 HydrophobicContact CD2-CE1 3.94Å; Y65-F781 HydrophobicContact CD2-CE2 4.05Å; Y65-F781 AromaticContact CD2-CG 3.96Å; Y65-F781 HydrophobicContact CD2-CG 3.96Å; Y65-F781 HydrophobicContact CD2-CZ 4.01Å; Y65-F781 AromaticContact CE2-CD1 3.64Å; Y65-F781 HydrophobicContact CE2-CD1 3.64Å; Y65-F781 AromaticContact CE2-CE1 3.76Å; Y65-F781 HydrophobicContact CE2-CE1 3.76Å; Y65-F781 HydrophobicContact CE2-CG 4.06Å; Y65-F781 HydrophobicContact CE2-CZ 4.3Å |
| 66 | Q | 98.4 | Very high | 98.1 | Very high | 23 Ų | 23 | 9.3 Ų | 9.3 | 11% | 0.107 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67 | -35 | -179.5 | -63.4 | -68.7 | -15.3 | 0 | 0 | 112.3 | F35 M62 I63 Q69 K71 T73 | F35-Q66 HydrophobicContact CB-CB 4.17Å; F35-Q66 HydrophobicContact CB-CG 4.49Å; F35-Q66 HydrophobicContact CD1-CB 3.81Å; F35-Q66 HydrophobicContact CD1-CG 3.68Å; F35-Q66 HydrophobicContact CD2-CB 4.36Å; F35-Q66 HydrophobicContact CD2-CG 3.77Å; F35-Q66 HydrophobicContact CE1-CB 4.28Å; F35-Q66 HydrophobicContact CE1-CG 3.69Å; F35-Q66 HydrophobicContact CE2-CG 3.78Å; F35-Q66 HydrophobicContact CG-CB 3.86Å; F35-Q66 HydrophobicContact CG-CG 3.71Å; F35-Q66 HydrophobicContact CZ-CG 3.75Å; M62-Q66 WeakPolarHBondContact O-CB 3.31Å; M62-Q66 WeakPolarHBondContact O-CG 3.43Å; M62-Q66 PolarHBondContact O-N 2.9Å; I63-Q66 PolarHBondContact O-N 2.98Å; Q66-Q69 WeakPolarHBondContact O-CB 3.33Å; Q66-Q69 PolarHBondContact O-N 2.89Å; Q66-Q69 VanDerWaalsContact O-N 3.09Å; Q66-K71 HydrophobicContact CB-CD 4.39Å; Q66-K71 WeakPolarHBondContact O-CB 3.47Å; Q66-K71 PolarHBondContact O-N 2.85Å; Q66-K71 VanDerWaalsContact OE1-CD 3.22Å; Q66-T73 HydrophobicContact CB-CG2 3.99Å |
| 67 | R | 97.9 | Very high | 98.1 | Very high | 16 Ų | 16 | 9.2 Ų | 9.2 | 6% | 0.06 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 173.7 | -174.6 | -176.5 | -63.5 | 118.8 | -7.3 | 111.4 | I63 R64 Y65 Q69 G70 T73 S135 L778 | I63-R67 VanDerWaalsContact O-CB 3.23Å; I63-R67 WeakPolarHBondContact O-CB 3.34Å; I63-R67 PolarHBondContact O-N 2.97Å; R64-R67 PolarHBondContact O-N 3.04Å; Y65-R67 VanDerWaalsContact C-N 3.35Å; Y65-R67 PolarHBondContact O-N 3.14Å; R67-Q69 PolarHBondContact O-N 3.08Å; R67-G70 PolarHBondContact O-N 2.85Å; R67-T73 HydrophobicContact CB-CG2 3.79Å; R67-T73 PolarHBondContact NE-OG1 3.37Å; R67-S135 PolarHBondContact NH1-OG 2.77Å; R67-S135 VanDerWaalsContact NH1-OG 3.11Å; R67-S135 PolarHBondContact NH2-O 3.26Å; R67-S135 PolarHBondContact NH2-OG 3.26Å; R67-L778 HydrophobicContact CG-CD2 4.18Å |
| 68 | M | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 9.1 Ų | 9.1 | 2% | 0.02 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.3 | -12.4 | 175.8 | -67.7 | 177.1 | 76.6 | 0 | 0 | 112.9 | R64 Y65 G70 R748 H751 P752 M777 Q779 P780 F781 | R64-M68 WeakPolarHBondContact O-CB 3.18Å; R64-M68 VanDerWaalsContact O-CG 3.24Å; R64-M68 WeakPolarHBondContact O-CG 3.37Å; R64-M68 PolarHBondContact O-N 3.39Å; Y65-M68 PolarHBondContact O-N 2.91Å; M68-G70 VanDerWaalsContact C-N 3.31Å; M68-R748 HydrophobicContact CE-CB 3.88Å; M68-R748 HydrophobicContact CE-CG 4.13Å; M68-R748 WeakPolarHBondContact CE-O 3.19Å; M68-H751 HydrophobicContact SD-CB 4.34Å; M68-P752 HydrophobicContact SD-CG 4.23Å; M68-M777 VanDerWaalsContact CG-O 3.3Å; M68-M777 WeakPolarHBondContact CG-O 3.33Å; M68-Q779 WeakPolarHBondContact CB-O 3.45Å; M68-P780 CarbonylContact O-C 3.53Å; M68-P780 WeakPolarHBondContact O-CA 3.32Å; M68-F781 HydrophobicContact CB-CB 3.92Å; M68-F781 HydrophobicContact CB-CD2 3.94Å; M68-F781 HydrophobicContact CB-CG 4.42Å; M68-F781 HydrophobicContact CE-CD2 3.85Å; M68-F781 HydrophobicContact CE-CE2 4.45Å; M68-F781 PolarHBondContact O-N 3.15Å; M68-F781 HydrophobicContact SD-CD2 3.87Å; M68-F781 HydrophobicContact SD-CE2 4.33Å |
| 69 | Q | 96.5 | Very high | 97.9 | Very high | 56 Ų | 56 | 9.2 Ų | 9.2 | 26% | 0.262 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.2 | 172.6 | -57.1 | -101.9 | 72.8 | 0 | 0 | 112.2 | Y65 Q66 R67 R689 F781 | Y65-Q69 HydrophobicContact CD2-CG 4.24Å; Y65-Q69 HydrophobicContact CE2-CG 4.03Å; Y65-Q69 WeakPolarHBondContact O-CG 3.23Å; Y65-Q69 PolarHBondContact O-N 3.49Å; Y65-Q69 PolarHBondContact OH-NE2 2.88Å; Q66-Q69 WeakPolarHBondContact O-CB 3.33Å; Q66-Q69 PolarHBondContact O-N 2.89Å; Q66-Q69 VanDerWaalsContact O-N 3.09Å; R67-Q69 PolarHBondContact O-N 3.08Å; Q69-R689 VanDerWaalsContact CD-NH2 3.25Å; Q69-R689 VanDerWaalsContact OE1-CZ 3.26Å; Q69-F781 HydrophobicContact CG-CB 4.36Å |
| 70 | G | 96 | Very high | 97.8 | Very high | 32 Ų | 32 | 9.4 Ų | 9.4 | 33% | 0.33 | 5% | 0.052 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -0.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q32 R67 M68 | Q32-G70 WeakPolarHBondContact CG-O 3.22Å; R67-G70 PolarHBondContact O-N 2.85Å; M68-G70 VanDerWaalsContact C-N 3.31Å |
| 71 | K | 97.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 9.5 Ų | 9.5 | 17% | 0.17 | 5% | 0.052 | C | C | . | . | trans | -66.7 | 149.9 | -179.3 | -63.5 | -160.9 | -176.6 | -174.4 | 0 | 112.1 | N27 E33 F35 Q66 T73 | N27-K71 PolarHBondContact ND2-O 3.43Å; E33-K71 HydrophobicContact CB-CD 4.26Å; E33-K71 HydrophobicContact CB-CG 4.46Å; E33-K71 HydrophobicContact CG-CD 4.45Å; E33-K71 WeakPolarHBondContact O-CA 3.25Å; E33-K71 VanDerWaalsContact O-CB 3.28Å; E33-K71 WeakPolarHBondContact O-CB 3.44Å; E33-K71 IonicContact OE1-NZ 3.51Å; E33-K71 PolarHBondContact OE1-NZ 3.43Å; E33-K71 WeakPolarHBondContact OE2-CE 3.34Å; E33-K71 IonicContact OE2-NZ 2.77Å; E33-K71 PolarHBondContact OE2-NZ 3.42Å; F35-K71 HydrophobicContact CB-CB 4.28Å; F35-K71 HydrophobicContact CB-CD 3.98Å; Q66-K71 HydrophobicContact CB-CD 4.39Å; Q66-K71 WeakPolarHBondContact O-CB 3.47Å; Q66-K71 PolarHBondContact O-N 2.85Å; Q66-K71 VanDerWaalsContact OE1-CD 3.22Å; K71-T73 HydrophobicContact CB-CG2 4.3Å; K71-T73 PolarHBondContact O-N 3.35Å; K71-T73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | N | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 96.3 | 170 | -176 | 25.1 | 0 | 0 | 0 | 108.9 | P26 N27 G28 E33 S34 F35 F499 | P26-N72 WeakPolarHBondContact CB-OD1 3.47Å; N27-N72 PolarHBondContact N-OD1 2.99Å; N27-N72 VanDerWaalsContact N-OD1 3.08Å; N27-N72 WeakPolarHBondContact OD1-CB 3.11Å; N27-N72 PolarHBondContact OD1-OD1 3.42Å; N27-N72 VanDerWaalsContact OD1-OD1 3.14Å; G28-N72 PolarHBondContact N-OD1 2.92Å; G28-N72 VanDerWaalsContact N-OD1 3.17Å; E33-N72 PolarHBondContact O-N 3.03Å; S34-N72 CarbonylContact C-O 3.59Å; S34-N72 VanDerWaalsContact CA-O 3.31Å; S34-N72 WeakPolarHBondContact CA-O 3.32Å; F35-N72 PolarHBondContact N-O 2.85Å; N72-F499 WeakPolarHBondContact ND2-CZ 3.43Å; N72-F499 WeakPolarHBondContact O-CE1 3.28Å |
| 73 | T | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 136.2 | -171.9 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | P26 F35 Q66 R67 K71 | P26-T73 WeakPolarHBondContact CA-O 3.48Å; F35-T73 HydrophobicContact CB-CG2 4.31Å; F35-T73 CarbonylContact O-C 3.3Å; F35-T73 VanDerWaalsContact O-CA 3.25Å; F35-T73 WeakPolarHBondContact O-CA 3.32Å; Q66-T73 HydrophobicContact CB-CG2 3.99Å; R67-T73 HydrophobicContact CB-CG2 3.79Å; R67-T73 PolarHBondContact NE-OG1 3.37Å; K71-T73 HydrophobicContact CB-CG2 4.3Å; K71-T73 PolarHBondContact O-N 3.35Å; K71-T73 VanDerWaalsContact O-N 3.1Å |
| 74 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.8 | 166.7 | 175.4 | 61 | 0 | 0 | 0 | 110.5 | P26 F35 C36 I37 Q76 L487 F499 | P26-L74 HydrophobicContact CG-CB 4.2Å; P26-L74 HydrophobicContact CG-CD1 4Å; F35-L74 PolarHBondContact O-N 2.74Å; C36-L74 VanDerWaalsContact CA-O 3.29Å; C36-L74 WeakPolarHBondContact CA-O 3.06Å; I37-L74 PolarHBondContact N-O 3.49Å; L74-Q76 HydrophobicContact CG-CB 4.38Å; L74-L487 HydrophobicContact CD2-CD2 3.72Å; L74-F499 HydrophobicContact CB-CD1 3.59Å; L74-F499 HydrophobicContact CB-CD2 4.25Å; L74-F499 HydrophobicContact CB-CE1 3.52Å; L74-F499 HydrophobicContact CB-CE2 4.2Å; L74-F499 HydrophobicContact CB-CG 3.98Å; L74-F499 HydrophobicContact CB-CZ 3.86Å; L74-F499 HydrophobicContact CD2-CB 4.1Å; L74-F499 HydrophobicContact CD2-CD1 4.2Å; L74-F499 HydrophobicContact CD2-CD2 3.56Å; L74-F499 HydrophobicContact CD2-CE2 4.02Å; L74-F499 HydrophobicContact CD2-CG 3.67Å; L74-F499 HydrophobicContact CG-CG 4.48Å |
| 75 | W | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.008 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 97.5 | 165.1 | -163.7 | 18.5 | 0 | 0 | 0 | 109.4 | I37 I39 Q56 M59 D60 I63 V77 N134 V136 | I37-W75 WeakPolarHBondContact O-CA 3.26Å; I39-W75 HydrophobicContact CD1-CD2 4.11Å; I39-W75 HydrophobicContact CD1-CG 4.39Å; I39-W75 HydrophobicContact CD1-CZ2 3.83Å; I39-W75 HydrophobicContact CG1-CD2 4.24Å; I39-W75 VanDerWaalsContact CG1-CE2 3.42Å; I39-W75 HydrophobicContact CG1-CG 4.31Å; I39-W75 HydrophobicContact CG1-CZ2 3.81Å; Q56-W75 HydrophobicContact CB-CH2 4.07Å; Q56-W75 HydrophobicContact CB-CZ2 4.29Å; Q56-W75 HydrophobicContact CG-CH2 4.39Å; Q56-W75 HydrophobicContact CG-CZ2 4.3Å; Q56-W75 WeakPolarHBondContact O-CH2 3.43Å; M59-W75 HydrophobicContact CB-CH2 4.4Å; M59-W75 HydrophobicContact CB-CZ2 3.5Å; M59-W75 HydrophobicContact CE-CZ2 3.95Å; M59-W75 HydrophobicContact CG-CZ2 4.46Å; M59-W75 HydrophobicContact SD-CZ2 4.26Å; M59-W75 PolarHBondContact SD-NE1 3.49Å; D60-W75 HydrophobicContact CB-CE3 4.18Å; D60-W75 HydrophobicContact CB-CH2 3.65Å; D60-W75 HydrophobicContact CB-CZ3 3.4Å; D60-W75 VanDerWaalsContact CB-CZ3 3.4Å; D60-W75 VanDerWaalsContact OD1-CZ3 3.27Å; D60-W75 WeakPolarHBondContact OD1-CZ3 3.45Å; I63-W75 HydrophobicContact CD1-CB 3.79Å; I63-W75 HydrophobicContact CD1-CG 4.27Å; I63-W75 HydrophobicContact CG1-CB 3.77Å; I63-W75 HydrophobicContact CG1-CD2 4.27Å; I63-W75 HydrophobicContact CG1-CG 3.85Å; I63-W75 HydrophobicContact CG2-CB 4.23Å; W75-V77 PolarHBondContact O-N 3.44Å; W75-N134 HydrophobicContact CH2-CB 3.8Å; W75-N134 HydrophobicContact CZ3-CB 3.51Å; W75-V136 HydrophobicContact CB-CG1 4.23Å; W75-V136 HydrophobicContact CD2-CG1 3.57Å; W75-V136 HydrophobicContact CE3-CG1 3.31Å; W75-V136 HydrophobicContact CG-CG1 4.01Å; W75-V136 HydrophobicContact CH2-CG1 4.42Å; W75-V136 HydrophobicContact CZ3-CG1 3.78Å |
| 76 | Q | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 114.6 | -170.4 | -178.7 | 56.2 | 69.7 | 0 | 0 | 110.8 | I37 M38 I39 L74 R140 T486 | I37-Q76 PolarHBondContact O-N 3.4Å; M38-Q76 HydrophobicContact CE-CB 3.89Å; M38-Q76 HydrophobicContact CE-CG 3.5Å; M38-Q76 VanDerWaalsContact CE-CG 3.5Å; M38-Q76 HydrophobicContact SD-CB 3.42Å; M38-Q76 WeakPolarHBondContact SD-CB 3.3Å; M38-Q76 HydrophobicContact SD-CG 3.74Å; I39-Q76 WeakPolarHBondContact CB-O 3.48Å; I39-Q76 WeakPolarHBondContact CG1-O 3.49Å; I39-Q76 PolarHBondContact N-O 2.99Å; L74-Q76 HydrophobicContact CG-CB 4.38Å; Q76-R140 PolarHBondContact NE2-O 3.47Å; Q76-T486 HydrophobicContact CG-CG2 4.4Å; Q76-T486 WeakPolarHBondContact CG-OG1 3.28Å |
| 77 | V | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | trans | -95.7 | 151 | -179 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | I39 W75 M129 V136 W138 E141 R142 | I39-V77 HydrophobicContact CD1-CB 3.8Å; I39-V77 HydrophobicContact CD1-CG2 3.94Å; W75-V77 PolarHBondContact O-N 3.44Å; V77-M129 HydrophobicContact CG2-CE 3.66Å; V77-M129 HydrophobicContact CG2-SD 4.25Å; V77-V136 HydrophobicContact CB-CB 3.99Å; V77-V136 HydrophobicContact CB-CG1 4.07Å; V77-V136 HydrophobicContact CB-CG2 4.16Å; V77-V136 HydrophobicContact CG1-CB 4.08Å; V77-V136 HydrophobicContact CG1-CG2 4.11Å; V77-V136 HydrophobicContact CG2-CG2 4.35Å; V77-W138 HydrophobicContact CG1-CE3 4.39Å; V77-W138 HydrophobicContact CG2-CH2 4.47Å; V77-W138 HydrophobicContact CG2-CZ3 3.95Å; V77-E141 HydrophobicContact CG1-CB 4.18Å; V77-R142 PolarHBondContact O-N 2.8Å; V77-R142 VanDerWaalsContact O-N 3.09Å | ||
| 78 | G | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173 | -175.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P42 R142 | P42-G78 WeakPolarHBondContact CD-O 3.22Å; G78-R142 CarbonylContact C-O 3.5Å; G78-R142 WeakPolarHBondContact CA-O 3.48Å |
| 79 | T | 97.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 155.1 | -176.2 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | V44 I125 R142 F143 T144 | V44-T79 HydrophobicContact CG1-CG2 4.32Å; T79-I125 HydrophobicContact CG2-CD1 4.24Å; T79-I125 HydrophobicContact CG2-CG2 4.06Å; T79-R142 PolarHBondContact N-O 3.05Å; T79-F143 WeakPolarHBondContact O-CA 3.29Å; T79-F143 VanDerWaalsContact O-CD2 3.23Å; T79-F143 WeakPolarHBondContact O-CD2 3.29Å; T79-F143 WeakPolarHBondContact OG1-CD2 3.41Å; T79-T144 PolarHBondContact O-N 3.28Å; T79-T144 VanDerWaalsContact O-N 3.08Å |
| 80 | D | 96.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 9.3 Ų | 9.3 | 3% | 0.032 | 6% | 0.06 | C | C | . | . | B | Isolated β-bridge | trans | -103.4 | 136.4 | -177.5 | -161.6 | -84.3 | 0 | 0 | 0 | 111 | P41 P42 V44 A82 T144 T475 S479 | P41-D80 HydrophobicContact CB-CB 3.99Å; P41-D80 HydrophobicContact CG-CB 4.05Å; P42-D80 PolarHBondContact O-N 2.85Å; V44-D80 WeakPolarHBondContact CG2-O 3.49Å; V44-D80 PolarHBondContact N-O 2.9Å; D80-A82 PolarHBondContact O-N 3.12Å; D80-A82 WeakPolarHBondContact OD1-CA 3.09Å; D80-A82 PolarHBondContact OD1-N 3.11Å; D80-T144 WeakPolarHBondContact CA-OG1 3.43Å; D80-T144 VanDerWaalsContact OD2-CG2 3.27Å; D80-T144 WeakPolarHBondContact OD2-CG2 3.48Å; D80-T475 PolarHBondContact OD1-OG1 3.16Å; D80-S479 PolarHBondContact OD2-OG 3.34Å |
| 81 | H | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | trans | -69.3 | -22.8 | 178.7 | 75.9 | -80.4 | 0 | 0 | 0 | 111.8 | G83 T86 F143 T144 M145 W431 T475 S478 | H81-G83 PolarHBondContact CD2-N 3.48Å; H81-G83 PolarHBondContact NE2-N 3.49Å; H81-G83 PolarHBondContact O-N 2.93Å; H81-G83 VanDerWaalsContact O-N 3.09Å; H81-T86 WeakPolarHBondContact O-CB 3.37Å; H81-T86 PolarHBondContact O-OG1 3.12Å; H81-F143 HydrophobicContact CB-CE1 4.34Å; H81-F143 HydrophobicContact CB-CE2 3.9Å; H81-F143 HydrophobicContact CB-CZ 3.5Å; H81-T144 PolarHBondContact N-OG1 3.47Å; H81-T144 PolarHBondContact ND1-OG1 2.94Å; H81-M145 HydrophobicContact CB-CG 3.8Å; H81-M145 HydrophobicContact CB-SD 3.59Å; H81-M145 VanDerWaalsContact CB-SD 3.59Å; H81-W431 HydrophobicContact CB-CZ2 4.19Å; H81-W431 AromaticContact CD2-NE1 3.93Å; H81-W431 PolarHBondContact O-NE1 3.25Å; H81-T475 PolarHBondContact CE1-OG1 3.41Å; H81-T475 PolarHBondContact NE2-OG1 2.92Å; H81-S478 PolarHBondContact CE1-OG 3.33Å; H81-S478 VanDerWaalsContact CE1-OG 3.26Å | ||
| 82 | A | 93.4 | Very high | 94 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 3% | 0.033 | 6% | 0.064 | C | C | . | . | trans | 55.2 | 23.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N43 T45 D80 I84 A85 | N43-A82 HydrophobicContact CB-CB 3.55Å; N43-A82 VanDerWaalsContact CG-CB 3.44Å; T45-A82 HydrophobicContact CG2-CB 4.36Å; D80-A82 PolarHBondContact O-N 3.12Å; D80-A82 WeakPolarHBondContact OD1-CA 3.09Å; D80-A82 PolarHBondContact OD1-N 3.11Å; A82-I84 PolarHBondContact O-N 2.92Å; A82-I84 VanDerWaalsContact O-N 3.13Å; A82-A85 HydrophobicContact CB-CB 4.28Å; A82-A85 WeakPolarHBondContact O-CB 3.37Å; A82-A85 PolarHBondContact O-N 2.84Å | ||
| 83 | G | 92.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 4% | 0.041 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | 32.5 | -113 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H81 A85 T86 Q87 | H81-G83 PolarHBondContact CD2-N 3.48Å; H81-G83 PolarHBondContact NE2-N 3.49Å; H81-G83 PolarHBondContact O-N 2.93Å; H81-G83 VanDerWaalsContact O-N 3.09Å; G83-A85 VanDerWaalsContact C-N 3.3Å; G83-A85 PolarHBondContact O-N 3.17Å; G83-T86 PolarHBondContact O-N 2.8Å; G83-Q87 PolarHBondContact O-N 3.11Å |
| 84 | I | 89.5 | Confident | 93.4 | Very high | 17 Ų | 17 | 15.9 Ų | 15.9 | 9% | 0.087 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.9 | -34.2 | -177.7 | -169.7 | 172 | 0 | 0 | 0 | 114.3 | A82 Q87 M88 L179 T181 L429 | A82-I84 PolarHBondContact O-N 2.92Å; A82-I84 VanDerWaalsContact O-N 3.13Å; I84-Q87 PolarHBondContact O-N 3.1Å; I84-M88 HydrophobicContact CG1-CG 4.19Å; I84-M88 HydrophobicContact CG1-SD 4.05Å; I84-M88 VanDerWaalsContact O-CB 3.31Å; I84-M88 WeakPolarHBondContact O-CB 3.41Å; I84-M88 WeakPolarHBondContact O-CG 3.31Å; I84-M88 PolarHBondContact O-N 3.19Å; I84-L179 HydrophobicContact CD1-CD1 3.76Å; I84-L179 HydrophobicContact CG1-CD1 4.49Å; I84-T181 HydrophobicContact CD1-CG2 3.79Å; I84-L429 HydrophobicContact CB-CD1 3.67Å; I84-L429 HydrophobicContact CB-CD2 4.01Å; I84-L429 HydrophobicContact CB-CG 4.5Å; I84-L429 HydrophobicContact CD1-CD2 4.18Å; I84-L429 HydrophobicContact CG1-CD1 4.46Å; I84-L429 HydrophobicContact CG1-CD2 3.9Å |
| 85 | A | 87.6 | Confident | 93.1 | Very high | 21 Ų | 21 | 18.3 Ų | 18.3 | 17% | 0.174 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | T45 A82 G83 V89 | T45-A85 HydrophobicContact CG2-CB 3.95Å; A82-A85 HydrophobicContact CB-CB 4.28Å; A82-A85 WeakPolarHBondContact O-CB 3.37Å; A82-A85 PolarHBondContact O-N 2.84Å; G83-A85 VanDerWaalsContact C-N 3.3Å; G83-A85 PolarHBondContact O-N 3.17Å; A85-V89 WeakPolarHBondContact O-CG2 3.4Å; A85-V89 PolarHBondContact O-N 3.01Å |
| 86 | T | 92.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.3 | -47.7 | 174.8 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | V44 H81 G83 M88 V89 V90 I114 | V44-T86 HydrophobicContact CG2-CG2 3.91Å; H81-T86 WeakPolarHBondContact O-CB 3.37Å; H81-T86 PolarHBondContact O-OG1 3.12Å; G83-T86 PolarHBondContact O-N 2.8Å; T86-M88 VanDerWaalsContact C-N 3.29Å; T86-M88 PolarHBondContact O-N 3.17Å; T86-V89 PolarHBondContact O-N 2.93Å; T86-V90 PolarHBondContact O-N 3.16Å; T86-V90 VanDerWaalsContact O-N 3.07Å; T86-I114 HydrophobicContact CG2-CG2 3.63Å |
| 87 | Q | 93.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.8 | -44.8 | 179.5 | -173.3 | 169.9 | -35.7 | 0 | 0 | 111.5 | G83 I84 V89 V90 E91 F110 I114 W431 | G83-Q87 PolarHBondContact O-N 3.11Å; I84-Q87 PolarHBondContact O-N 3.1Å; Q87-V89 VanDerWaalsContact C-N 3.33Å; Q87-V89 PolarHBondContact O-N 3.28Å; Q87-V90 PolarHBondContact O-N 2.95Å; Q87-E91 HydrophobicContact CG-CG 4.37Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.35Å; Q87-E91 PolarHBondContact NE2-OE1 3.16Å; Q87-E91 WeakPolarHBondContact O-CG 3.26Å; Q87-E91 PolarHBondContact O-N 2.95Å; Q87-F110 HydrophobicContact CG-CE1 3.74Å; Q87-F110 HydrophobicContact CG-CZ 3.77Å; Q87-I114 HydrophobicContact CB-CD1 4.37Å; Q87-I114 HydrophobicContact CG-CD1 4.22Å; Q87-W431 HydrophobicContact CB-CB 4.18Å |
| 88 | M | 88.2 | Confident | 92.2 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 14% | 0.138 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -30.8 | 177.1 | -75.9 | 178.7 | 71.5 | 0 | 0 | 114.3 | I84 T86 R92 L179 R369 | I84-M88 HydrophobicContact CG1-CG 4.19Å; I84-M88 HydrophobicContact CG1-SD 4.05Å; I84-M88 VanDerWaalsContact O-CB 3.31Å; I84-M88 WeakPolarHBondContact O-CB 3.41Å; I84-M88 WeakPolarHBondContact O-CG 3.31Å; I84-M88 PolarHBondContact O-N 3.19Å; T86-M88 VanDerWaalsContact C-N 3.29Å; T86-M88 PolarHBondContact O-N 3.17Å; M88-R92 WeakPolarHBondContact O-CB 3.37Å; M88-R92 VanDerWaalsContact O-CG 3.32Å; M88-R92 WeakPolarHBondContact O-CG 3.39Å; M88-R92 PolarHBondContact O-N 2.93Å; M88-R92 PolarHBondContact O-NE 3.32Å; M88-L179 HydrophobicContact SD-CD1 4.02Å; M88-R369 HydrophobicContact CE-CB 4.01Å; M88-R369 HydrophobicContact SD-CB 3.69Å; M88-R369 HydrophobicContact SD-CG 4.07Å |
| 89 | V | 88.6 | Confident | 92 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.9 | -44.4 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 109.7 | A85 T86 Q87 R92 K93 W117 | A85-V89 WeakPolarHBondContact O-CG2 3.4Å; A85-V89 PolarHBondContact O-N 3.01Å; T86-V89 PolarHBondContact O-N 2.93Å; Q87-V89 VanDerWaalsContact C-N 3.33Å; Q87-V89 PolarHBondContact O-N 3.28Å; V89-R92 PolarHBondContact O-N 3.17Å; V89-K93 PolarHBondContact O-N 3.21Å; V89-W117 HydrophobicContact CG1-CH2 3.84Å; V89-W117 HydrophobicContact CG1-CZ2 3.39Å |
| 90 | V | 93 | Very high | 91.9 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -44 | -180 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | T86 Q87 R92 K93 I94 F110 K113 I114 W117 | T86-V90 PolarHBondContact O-N 3.16Å; T86-V90 VanDerWaalsContact O-N 3.07Å; Q87-V90 PolarHBondContact O-N 2.95Å; V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 2.91Å; V90-K93 PolarHBondContact O-N 2.76Å; V90-I94 HydrophobicContact CG1-CD1 3.8Å; V90-I94 HydrophobicContact CG1-CG1 4.34Å; V90-I94 WeakPolarHBondContact O-CB 3.36Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 2.82Å; V90-F110 HydrophobicContact CG1-CE2 4.28Å; V90-K113 HydrophobicContact CG1-CB 4.26Å; V90-I114 HydrophobicContact CB-CG1 3.99Å; V90-I114 HydrophobicContact CG1-CG1 3.85Å; V90-I114 HydrophobicContact CG2-CB 4.49Å; V90-I114 HydrophobicContact CG2-CG1 4Å; V90-I114 HydrophobicContact CG2-CG2 4.41Å; V90-W117 HydrophobicContact CG2-CB 3.61Å; V90-W117 HydrophobicContact CG2-CD2 4.15Å; V90-W117 HydrophobicContact CG2-CG 3.47Å; V90-W117 VanDerWaalsContact CG2-CG 3.47Å |
| 91 | E | 92.7 | Very high | 91.7 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 175.3 | -73.5 | -179.6 | -170.7 | 0 | 0 | 111.9 | Q87 A95 R102 F110 | Q87-E91 HydrophobicContact CG-CG 4.37Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.35Å; Q87-E91 PolarHBondContact NE2-OE1 3.16Å; Q87-E91 WeakPolarHBondContact O-CG 3.26Å; Q87-E91 PolarHBondContact O-N 2.95Å; E91-A95 VanDerWaalsContact O-CB 3.3Å; E91-A95 WeakPolarHBondContact O-CB 3.46Å; E91-A95 PolarHBondContact O-N 3.44Å; E91-R102 VanDerWaalsContact OE1-CD 3.31Å; E91-R102 WeakPolarHBondContact OE1-CD 3.45Å; E91-R102 IonicContact OE1-CZ 3.27Å; E91-R102 IonicContact OE1-NE 2.65Å; E91-R102 IonicContact OE1-NH1 3.79Å; E91-R102 PolarHBondContact OE1-NH1 3.15Å; E91-R102 IonicContact OE2-NH1 2.66Å; E91-F110 HydrophobicContact CG-CE2 3.81Å; E91-F110 HydrophobicContact CG-CZ 3.55Å |
| 92 | R | 88.2 | Confident | 91.5 | Very high | 95 Ų | 95 | 44.7 Ų | 44.7 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 176.9 | -77.3 | -177.1 | -69.9 | 156.2 | -6 | 112.7 | M88 V89 V90 A95 A96 M586 | M88-R92 WeakPolarHBondContact O-CB 3.37Å; M88-R92 VanDerWaalsContact O-CG 3.32Å; M88-R92 WeakPolarHBondContact O-CG 3.39Å; M88-R92 PolarHBondContact O-N 2.93Å; M88-R92 PolarHBondContact O-NE 3.32Å; V89-R92 PolarHBondContact O-N 3.17Å; V90-R92 VanDerWaalsContact C-N 3.28Å; V90-R92 PolarHBondContact O-N 2.91Å; R92-A95 PolarHBondContact O-N 2.78Å; R92-A96 VanDerWaalsContact O-CB 3.3Å; R92-A96 WeakPolarHBondContact O-CB 3.44Å; R92-A96 PolarHBondContact O-N 3.46Å; R92-M586 VanDerWaalsContact NH1-CG 3.26Å |
| 93 | K | 90.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 27% | 0.274 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 175.1 | -174.5 | 179.2 | 178.5 | -177.1 | 0 | 110.1 | V89 V90 A95 A96 E97 W117 E120 | V89-K93 PolarHBondContact O-N 3.21Å; V90-K93 PolarHBondContact O-N 2.76Å; K93-A95 PolarHBondContact O-N 2.97Å; K93-A96 PolarHBondContact O-N 3.37Å; K93-E97 WeakPolarHBondContact CE-OE1 3.31Å; K93-E97 WeakPolarHBondContact CE-OE2 3.16Å; K93-E97 VanDerWaalsContact CG-CD 3.5Å; K93-E97 HydrophobicContact CG-CG 4.36Å; K93-E97 WeakPolarHBondContact CG-OE1 3.38Å; K93-E97 WeakPolarHBondContact O-CB 3.47Å; K93-E97 WeakPolarHBondContact O-CG 3.35Å; K93-E97 PolarHBondContact O-N 2.87Å; K93-W117 HydrophobicContact CD-CE3 4.01Å; K93-W117 HydrophobicContact CD-CZ3 4.04Å; K93-E120 IonicContact NZ-OE2 3.94Å; K93-E120 PolarHBondContact NZ-OE2 2.95Å |
| 94 | I | 93.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 177.1 | -70.4 | 172.8 | 0 | 0 | 0 | 111.7 | V90 A96 E98 G99 K100 Y105 F110 K113 | V90-I94 HydrophobicContact CG1-CD1 3.8Å; V90-I94 HydrophobicContact CG1-CG1 4.34Å; V90-I94 WeakPolarHBondContact O-CB 3.36Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 2.82Å; I94-A96 VanDerWaalsContact C-N 3.33Å; I94-A96 PolarHBondContact O-N 3.45Å; I94-E98 WeakPolarHBondContact O-CA 3.36Å; I94-E98 WeakPolarHBondContact O-CB 3.25Å; I94-E98 PolarHBondContact O-N 3.32Å; I94-G99 PolarHBondContact O-N 3.31Å; I94-K100 HydrophobicContact CG2-CB 3.76Å; I94-Y105 HydrophobicContact CD1-CE2 4.12Å; I94-Y105 HydrophobicContact CG2-CE2 3.64Å; I94-F110 HydrophobicContact CD1-CD2 4.05Å; I94-F110 HydrophobicContact CD1-CE2 3.95Å; I94-K113 HydrophobicContact CD1-CB 4.1Å; I94-K113 HydrophobicContact CD1-CG 4.19Å |
| 95 | A | 91 | Very high | 91.9 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E91 R92 K93 G99 K100 | E91-A95 VanDerWaalsContact O-CB 3.3Å; E91-A95 WeakPolarHBondContact O-CB 3.46Å; E91-A95 PolarHBondContact O-N 3.44Å; R92-A95 PolarHBondContact O-N 2.78Å; K93-A95 PolarHBondContact O-N 2.97Å; A95-G99 VanDerWaalsContact O-CA 3.25Å; A95-G99 WeakPolarHBondContact O-CA 3.33Å; A95-G99 PolarHBondContact O-N 2.91Å; A95-G99 VanDerWaalsContact O-N 3.12Å; A95-K100 WeakPolarHBondContact CA-O 3.31Å |
| 96 | A | 87 | Confident | 92.2 | Very high | 86 Ų | 86 | 57.2 Ų | 57.2 | 71% | 0.711 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -75.5 | -39.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R92 K93 I94 | R92-A96 VanDerWaalsContact O-CB 3.3Å; R92-A96 WeakPolarHBondContact O-CB 3.44Å; R92-A96 PolarHBondContact O-N 3.46Å; K93-A96 PolarHBondContact O-N 3.37Å; I94-A96 VanDerWaalsContact C-N 3.33Å; I94-A96 PolarHBondContact O-N 3.45Å |
| 97 | E | 92.7 | Very high | 92.4 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -87.3 | -35.8 | -175.5 | -67.3 | 176 | -178.3 | 0 | 0 | 112.6 | K93 | K93-E97 WeakPolarHBondContact CE-OE1 3.31Å; K93-E97 WeakPolarHBondContact CE-OE2 3.16Å; K93-E97 VanDerWaalsContact CG-CD 3.5Å; K93-E97 HydrophobicContact CG-CG 4.36Å; K93-E97 WeakPolarHBondContact CG-OE1 3.38Å; K93-E97 WeakPolarHBondContact O-CB 3.47Å; K93-E97 WeakPolarHBondContact O-CG 3.35Å; K93-E97 PolarHBondContact O-N 2.87Å |
| 98 | E | 94.7 | Very high | 92.5 | Very high | 85 Ų | 85 | 64 Ų | 64 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -119.5 | -12.2 | -172.2 | -56.6 | -168.4 | -138.6 | 0 | 0 | 114.2 | I94 K100 Y105 | I94-E98 WeakPolarHBondContact O-CA 3.36Å; I94-E98 WeakPolarHBondContact O-CB 3.25Å; I94-E98 PolarHBondContact O-N 3.32Å; E98-K100 HydrophobicContact CB-CB 4.33Å; E98-K100 HydrophobicContact CB-CD 4.11Å; E98-K100 HydrophobicContact CB-CG 4.11Å; E98-K100 PolarHBondContact O-N 3.24Å; E98-K100 WeakPolarHBondContact OE2-CE 3.28Å; E98-K100 IonicContact OE2-NZ 3.8Å; E98-K100 PolarHBondContact OE2-NZ 2.85Å; E98-Y105 PolarHBondContact OE1-OH 3.16Å; E98-Y105 PolarHBondContact OE2-OH 2.95Å |
| 99 | G | 92.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 64.7 Ų | 64.7 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 67 | 20 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I94 A95 | I94-G99 PolarHBondContact O-N 3.31Å; A95-G99 VanDerWaalsContact O-CA 3.25Å; A95-G99 WeakPolarHBondContact O-CA 3.33Å; A95-G99 PolarHBondContact O-N 2.91Å; A95-G99 VanDerWaalsContact O-N 3.12Å |
| 100 | K | 95.4 | Very high | 93.4 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | trans | -105.6 | 168.1 | -177.5 | -68.5 | 177.4 | -171.4 | 160.7 | 0 | 112.3 | I94 A95 E98 D104 Y105 | I94-K100 HydrophobicContact CG2-CB 3.76Å; A95-K100 WeakPolarHBondContact CA-O 3.31Å; E98-K100 HydrophobicContact CB-CB 4.33Å; E98-K100 HydrophobicContact CB-CD 4.11Å; E98-K100 HydrophobicContact CB-CG 4.11Å; E98-K100 PolarHBondContact O-N 3.24Å; E98-K100 WeakPolarHBondContact OE2-CE 3.28Å; E98-K100 IonicContact OE2-NZ 3.8Å; E98-K100 PolarHBondContact OE2-NZ 2.85Å; K100-D104 HydrophobicContact CB-CB 4.18Å; K100-D104 HydrophobicContact CD-CB 4.37Å; K100-D104 HydrophobicContact CG-CB 4.28Å; K100-Y105 HydrophobicContact CB-CE2 4.05Å; K100-Y105 HydrophobicContact CD-CE2 3.89Å | ||
| 101 | T | 92.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | trans | -118.7 | 167.5 | 172 | 70.8 | 0 | 0 | 0 | 0 | 110.1 | H103 D104 Y105 | T101-H103 PolarHBondContact O-N 2.86Å; T101-H103 VanDerWaalsContact O-N 3.1Å; T101-H103 PolarHBondContact OG1-N 3.11Å; T101-D104 PolarHBondContact N-OD2 3.35Å; T101-D104 WeakPolarHBondContact O-CB 3.36Å; T101-D104 PolarHBondContact O-N 2.73Å; T101-D104 PolarHBondContact OG1-OD2 2.83Å; T101-Y105 WeakPolarHBondContact O-CD2 3.5Å | ||
| 102 | R | 92.2 | Very high | 93.8 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -53.3 | -31.1 | 172.1 | 64.6 | 174 | 173.5 | -143 | 15 | 113 | E91 D104 Y105 G106 F110 W430 | E91-R102 VanDerWaalsContact OE1-CD 3.31Å; E91-R102 WeakPolarHBondContact OE1-CD 3.45Å; E91-R102 IonicContact OE1-CZ 3.27Å; E91-R102 IonicContact OE1-NE 2.65Å; E91-R102 IonicContact OE1-NH1 3.79Å; E91-R102 PolarHBondContact OE1-NH1 3.15Å; E91-R102 IonicContact OE2-NH1 2.66Å; R102-D104 VanDerWaalsContact C-N 3.26Å; R102-D104 PolarHBondContact O-N 3.49Å; R102-Y105 PolarHBondContact O-N 2.89Å; R102-G106 PolarHBondContact O-N 3.37Å; R102-F110 HydrophobicContact CB-CD1 4.08Å; R102-F110 HydrophobicContact CB-CD2 3.61Å; R102-F110 HydrophobicContact CB-CE1 4.13Å; R102-F110 HydrophobicContact CB-CE2 3.71Å; R102-F110 HydrophobicContact CB-CG 3.8Å; R102-F110 HydrophobicContact CB-CZ 3.97Å; R102-W430 HydrophobicContact CB-CE3 4.01Å; R102-W430 HydrophobicContact CB-CH2 4.38Å; R102-W430 HydrophobicContact CB-CZ3 3.7Å; R102-W430 HydrophobicContact CG-CE3 4.26Å; R102-W430 HydrophobicContact CG-CH2 4.15Å; R102-W430 HydrophobicContact CG-CZ3 3.93Å; R102-W430 VanDerWaalsContact O-CZ3 3.27Å; R102-W430 WeakPolarHBondContact O-CZ3 3.39Å |
| 103 | H | 93.5 | Very high | 94.2 | Very high | 126 Ų | 126 | 64.8 Ų | 64.8 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -69 | -24.8 | -178.2 | -62.8 | -68.7 | 0 | 0 | 0 | 112.9 | T101 Y105 W430 | T101-H103 PolarHBondContact O-N 2.86Å; T101-H103 VanDerWaalsContact O-N 3.1Å; T101-H103 PolarHBondContact OG1-N 3.11Å; H103-Y105 VanDerWaalsContact C-N 3.25Å; H103-Y105 PolarHBondContact O-N 3.46Å; H103-W430 AromaticContact ND1-CH2 3.91Å |
| 104 | D | 96.1 | Very high | 94.6 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -73 | -18.3 | 176.1 | -59 | -67.6 | 0 | 0 | 0 | 112.8 | K100 T101 R102 | K100-D104 HydrophobicContact CB-CB 4.18Å; K100-D104 HydrophobicContact CD-CB 4.37Å; K100-D104 HydrophobicContact CG-CB 4.28Å; T101-D104 PolarHBondContact N-OD2 3.35Å; T101-D104 WeakPolarHBondContact O-CB 3.36Å; T101-D104 PolarHBondContact O-N 2.73Å; T101-D104 PolarHBondContact OG1-OD2 2.83Å; R102-D104 VanDerWaalsContact C-N 3.26Å; R102-D104 PolarHBondContact O-N 3.49Å |
| 105 | Y | 94.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 19% | 0.192 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -30.9 | 176.9 | -68.2 | -96.5 | 0 | 0 | 0 | 112.8 | I94 E98 K100 T101 R102 H103 A109 K113 | I94-Y105 HydrophobicContact CD1-CE2 4.12Å; I94-Y105 HydrophobicContact CG2-CE2 3.64Å; E98-Y105 PolarHBondContact OE1-OH 3.16Å; E98-Y105 PolarHBondContact OE2-OH 2.95Å; K100-Y105 HydrophobicContact CB-CE2 4.05Å; K100-Y105 HydrophobicContact CD-CE2 3.89Å; T101-Y105 WeakPolarHBondContact O-CD2 3.5Å; R102-Y105 PolarHBondContact O-N 2.89Å; H103-Y105 VanDerWaalsContact C-N 3.25Å; H103-Y105 PolarHBondContact O-N 3.46Å; Y105-A109 HydrophobicContact CD1-CB 4.34Å; Y105-K113 HydrophobicContact CD1-CG 4.31Å; Y105-K113 HydrophobicContact CE1-CG 4Å |
| 106 | G | 95 | Very high | 95 | Very high | 29 Ų | 29 | 68.8 Ų | 68.8 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | trans | 72.6 | 171.1 | -159.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R102 F110 | R102-G106 PolarHBondContact O-N 3.37Å; G106-F110 WeakPolarHBondContact O-CB 3.45Å; G106-F110 PolarHBondContact O-N 3.32Å; G106-F110 VanDerWaalsContact O-N 3.1Å | ||
| 107 | R | 94.9 | Very high | 95.4 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -55.7 | -168.2 | -172.6 | 179.1 | -171.2 | 126.9 | 5.9 | 113.5 | F110 I111 L429 W430 E470 | R107-F110 PolarHBondContact O-N 2.81Å; R107-I111 HydrophobicContact CG-CD1 3.79Å; R107-I111 HydrophobicContact CG-CG1 4.46Å; R107-I111 WeakPolarHBondContact O-CG1 3.44Å; R107-I111 PolarHBondContact O-N 3.02Å; R107-L429 PolarHBondContact NH2-O 3.49Å; R107-W430 HydrophobicContact CB-CD2 4.2Å; R107-W430 HydrophobicContact CB-CE3 4.16Å; R107-W430 HydrophobicContact CB-CZ3 4.43Å; R107-W430 HydrophobicContact CG-CB 4.17Å; R107-W430 HydrophobicContact CG-CD2 4.09Å; R107-W430 HydrophobicContact CG-CE3 4.32Å; R107-W430 HydrophobicContact CG-CG 4.02Å; R107-W430 PolarHBondContact NH2-O 3.01Å; R107-E470 VanDerWaalsContact CZ-O 3.29Å; R107-E470 IonicContact CZ-OE2 3.91Å; R107-E470 PolarHBondContact NH1-O 3.04Å; R107-E470 IonicContact NH1-OE2 3.93Å; R107-E470 PolarHBondContact NH1-OE2 2.97Å; R107-E470 PolarHBondContact NH2-O 2.83Å |
| 108 | E | 96.3 | Very high | 95.5 | Very high | 120 Ų | 120 | 62 Ų | 62 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62 | -52.1 | -173.7 | -60.9 | -54.3 | 131.3 | 0 | 0 | 112.1 | F110 I111 D112 | E108-F110 PolarHBondContact O-N 2.72Å; E108-I111 WeakPolarHBondContact O-CB 3.4Å; E108-I111 PolarHBondContact O-N 3.22Å; E108-D112 PolarHBondContact O-N 3.1Å |
| 109 | A | 97.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 61.1 Ų | 61.1 | 34% | 0.339 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -28.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y105 K113 | Y105-A109 HydrophobicContact CD1-CB 4.34Å; A109-K113 PolarHBondContact O-N 2.98Å |
| 110 | F | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.9 | -39.6 | 171.5 | 177.7 | -104.5 | 0 | 0 | 0 | 112.3 | Q87 V90 E91 I94 R102 G106 R107 E108 D112 K113 I114 W430 | Q87-F110 HydrophobicContact CG-CE1 3.74Å; Q87-F110 HydrophobicContact CG-CZ 3.77Å; V90-F110 HydrophobicContact CG1-CE2 4.28Å; E91-F110 HydrophobicContact CG-CE2 3.81Å; E91-F110 HydrophobicContact CG-CZ 3.55Å; I94-F110 HydrophobicContact CD1-CD2 4.05Å; I94-F110 HydrophobicContact CD1-CE2 3.95Å; R102-F110 HydrophobicContact CB-CD1 4.08Å; R102-F110 HydrophobicContact CB-CD2 3.61Å; R102-F110 HydrophobicContact CB-CE1 4.13Å; R102-F110 HydrophobicContact CB-CE2 3.71Å; R102-F110 HydrophobicContact CB-CG 3.8Å; R102-F110 HydrophobicContact CB-CZ 3.97Å; G106-F110 WeakPolarHBondContact O-CB 3.45Å; G106-F110 PolarHBondContact O-N 3.32Å; G106-F110 VanDerWaalsContact O-N 3.1Å; R107-F110 PolarHBondContact O-N 2.81Å; E108-F110 PolarHBondContact O-N 2.72Å; F110-D112 VanDerWaalsContact C-N 3.29Å; F110-D112 PolarHBondContact O-N 3.5Å; F110-K113 WeakPolarHBondContact O-CB 3.22Å; F110-K113 PolarHBondContact O-N 2.94Å; F110-K113 VanDerWaalsContact O-N 3.14Å; F110-I114 HydrophobicContact CD1-CD1 4.01Å; F110-I114 HydrophobicContact CE1-CD1 3.41Å; F110-I114 VanDerWaalsContact CE1-CD1 3.41Å; F110-I114 HydrophobicContact CE1-CG1 4.23Å; F110-I114 HydrophobicContact CZ-CD1 3.75Å; F110-I114 HydrophobicContact CZ-CG1 4.25Å; F110-I114 PolarHBondContact O-N 3.04Å; F110-I114 VanDerWaalsContact O-N 3.15Å; F110-W430 HydrophobicContact CB-CE3 4.03Å; F110-W430 HydrophobicContact CB-CZ3 4.14Å; F110-W430 HydrophobicContact CD1-CB 4.27Å; F110-W430 AromaticContact CD1-CE3 3.62Å; F110-W430 HydrophobicContact CD1-CE3 3.62Å; F110-W430 HydrophobicContact CD1-CZ3 4.4Å; F110-W430 HydrophobicContact CE1-CB 4.46Å; F110-W430 HydrophobicContact CE1-CE3 4.38Å; F110-W430 HydrophobicContact CG-CE3 4.05Å; F110-W430 HydrophobicContact CG-CZ3 4.4Å |
| 111 | I | 97.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 59 Ų | 59 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 173.3 | -74.7 | 172 | 0 | 0 | 0 | 110.4 | R107 E108 K113 I114 W115 W431 | R107-I111 HydrophobicContact CG-CD1 3.79Å; R107-I111 HydrophobicContact CG-CG1 4.46Å; R107-I111 WeakPolarHBondContact O-CG1 3.44Å; R107-I111 PolarHBondContact O-N 3.02Å; E108-I111 WeakPolarHBondContact O-CB 3.4Å; E108-I111 PolarHBondContact O-N 3.22Å; I111-K113 VanDerWaalsContact C-N 3.29Å; I111-K113 PolarHBondContact O-N 3.45Å; I111-I114 WeakPolarHBondContact O-CA 3.18Å; I111-I114 PolarHBondContact O-N 3.41Å; I111-W115 PolarHBondContact O-N 2.97Å; I111-W431 HydrophobicContact CG2-CE3 4.27Å; I111-W431 HydrophobicContact CG2-CZ3 4.05Å |
| 112 | D | 97.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 55.7 Ų | 55.7 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 174 | -69.9 | -24.6 | 0 | 0 | 0 | 111.8 | E108 F110 I114 W115 E116 | E108-D112 PolarHBondContact O-N 3.1Å; F110-D112 VanDerWaalsContact C-N 3.29Å; F110-D112 PolarHBondContact O-N 3.5Å; D112-I114 VanDerWaalsContact C-N 3.27Å; D112-I114 PolarHBondContact O-N 3.15Å; D112-W115 PolarHBondContact O-N 3.37Å; D112-W115 VanDerWaalsContact O-N 3.14Å; D112-E116 WeakPolarHBondContact O-CG 3.32Å; D112-E116 PolarHBondContact O-N 2.92Å |
| 113 | K | 97.2 | Very high | 95.4 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 24% | 0.243 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 173 | -68.9 | -58.4 | 179.4 | -164.3 | 0 | 113.5 | V90 I94 Y105 A109 F110 I111 E116 W117 | V90-K113 HydrophobicContact CG1-CB 4.26Å; I94-K113 HydrophobicContact CD1-CB 4.1Å; I94-K113 HydrophobicContact CD1-CG 4.19Å; Y105-K113 HydrophobicContact CD1-CG 4.31Å; Y105-K113 HydrophobicContact CE1-CG 4Å; A109-K113 PolarHBondContact O-N 2.98Å; F110-K113 WeakPolarHBondContact O-CB 3.22Å; F110-K113 PolarHBondContact O-N 2.94Å; F110-K113 VanDerWaalsContact O-N 3.14Å; I111-K113 VanDerWaalsContact C-N 3.29Å; I111-K113 PolarHBondContact O-N 3.45Å; K113-E116 WeakPolarHBondContact CD-OE2 3.32Å; K113-E116 VanDerWaalsContact NZ-CD 3.33Å; K113-E116 IonicContact NZ-OE1 2.73Å; K113-E116 PolarHBondContact NZ-OE1 3.14Å; K113-E116 IonicContact NZ-OE2 2.74Å; K113-E116 PolarHBondContact NZ-OE2 3.14Å; K113-W117 PolarHBondContact O-N 2.97Å; K113-W117 VanDerWaalsContact O-N 3.11Å |
| 114 | I | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.7 | -34.1 | 175.1 | -58.3 | 175 | 0 | 0 | 0 | 111.3 | T86 Q87 V90 F110 I111 D112 W117 K118 W431 | T86-I114 HydrophobicContact CG2-CG2 3.63Å; Q87-I114 HydrophobicContact CB-CD1 4.37Å; Q87-I114 HydrophobicContact CG-CD1 4.22Å; V90-I114 HydrophobicContact CB-CG1 3.99Å; V90-I114 HydrophobicContact CG1-CG1 3.85Å; V90-I114 HydrophobicContact CG2-CB 4.49Å; V90-I114 HydrophobicContact CG2-CG1 4Å; V90-I114 HydrophobicContact CG2-CG2 4.41Å; F110-I114 HydrophobicContact CD1-CD1 4.01Å; F110-I114 HydrophobicContact CE1-CD1 3.41Å; F110-I114 VanDerWaalsContact CE1-CD1 3.41Å; F110-I114 HydrophobicContact CE1-CG1 4.23Å; F110-I114 HydrophobicContact CZ-CD1 3.75Å; F110-I114 HydrophobicContact CZ-CG1 4.25Å; F110-I114 PolarHBondContact O-N 3.04Å; F110-I114 VanDerWaalsContact O-N 3.15Å; I111-I114 WeakPolarHBondContact O-CA 3.18Å; I111-I114 PolarHBondContact O-N 3.41Å; D112-I114 VanDerWaalsContact C-N 3.27Å; D112-I114 PolarHBondContact O-N 3.15Å; I114-W117 CarbonylContact O-C 3.57Å; I114-W117 WeakPolarHBondContact O-CB 3.42Å; I114-W117 PolarHBondContact O-N 3.08Å; I114-K118 WeakPolarHBondContact O-CB 3.41Å; I114-K118 PolarHBondContact O-N 3.04Å; I114-W431 HydrophobicContact CB-CD2 4Å; I114-W431 HydrophobicContact CB-CE3 3.74Å; I114-W431 HydrophobicContact CB-CH2 4.39Å; I114-W431 HydrophobicContact CB-CZ3 3.95Å; I114-W431 HydrophobicContact CD1-CB 3.52Å; I114-W431 HydrophobicContact CD1-CD2 3.99Å; I114-W431 HydrophobicContact CD1-CE3 4.07Å; I114-W431 HydrophobicContact CD1-CG 3.75Å; I114-W431 HydrophobicContact CG2-CD2 3.37Å; I114-W431 HydrophobicContact CG2-CE3 3.6Å; I114-W431 HydrophobicContact CG2-CG 3.92Å; I114-W431 HydrophobicContact CG2-CH2 3.82Å; I114-W431 HydrophobicContact CG2-CZ2 3.6Å; I114-W431 HydrophobicContact CG2-CZ3 3.81Å |
| 115 | W | 97.1 | Very high | 95.5 | Very high | 98 Ų | 98 | 45.8 Ų | 45.8 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 171.9 | -79.7 | 115.4 | 0 | 0 | 0 | 112.9 | I111 D112 W117 K118 A119 F143 M145 W431 | I111-W115 PolarHBondContact O-N 2.97Å; D112-W115 PolarHBondContact O-N 3.37Å; D112-W115 VanDerWaalsContact O-N 3.14Å; W115-W117 VanDerWaalsContact C-N 3.3Å; W115-W117 PolarHBondContact O-N 2.72Å; W115-K118 HydrophobicContact CE3-CB 4.31Å; W115-K118 HydrophobicContact CE3-CD 4.21Å; W115-K118 HydrophobicContact CE3-CG 4.35Å; W115-K118 HydrophobicContact CZ3-CD 4.13Å; W115-K118 HydrophobicContact CZ3-CG 4.41Å; W115-K118 WeakPolarHBondContact O-CB 3.3Å; W115-K118 PolarHBondContact O-N 3.29Å; W115-A119 PolarHBondContact O-N 3.4Å; W115-F143 HydrophobicContact CE3-CE1 4.49Å; W115-F143 AromaticContact CH2-CD1 3.79Å; W115-F143 HydrophobicContact CH2-CD1 3.79Å; W115-F143 AromaticContact CH2-CE1 3.52Å; W115-F143 HydrophobicContact CH2-CE1 3.52Å; W115-F143 HydrophobicContact CZ2-CE1 4.49Å; W115-F143 AromaticContact CZ3-CD1 3.8Å; W115-F143 HydrophobicContact CZ3-CD1 3.8Å; W115-F143 AromaticContact CZ3-CE1 3.51Å; W115-F143 HydrophobicContact CZ3-CE1 3.51Å; W115-M145 HydrophobicContact CH2-CB 4.3Å; W115-W431 AromaticContact CD1-CZ3 3.87Å; W115-W431 AromaticContact CD2-CH2 3.77Å; W115-W431 HydrophobicContact CD2-CH2 3.77Å; W115-W431 HydrophobicContact CD2-CZ3 4.19Å; W115-W431 AromaticContact CE2-CH2 3.64Å; W115-W431 AromaticContact CE2-CZ3 3.85Å; W115-W431 HydrophobicContact CE3-CH2 4.21Å; W115-W431 HydrophobicContact CG-CH2 4.16Å; W115-W431 HydrophobicContact CG-CZ3 4.21Å; W115-W431 HydrophobicContact CH2-CH2 4.42Å; W115-W431 AromaticContact CZ2-CH2 3.99Å; W115-W431 HydrophobicContact CZ2-CH2 3.99Å; W115-W431 HydrophobicContact CZ2-CZ3 4.43Å; W115-W431 AromaticContact NE1-CH2 3.92Å; W115-W431 AromaticContact NE1-CZ3 3.63Å |
| 116 | E | 96.3 | Very high | 95.6 | Very high | 108 Ų | 108 | 44.2 Ų | 44.2 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.6 | -47.3 | 170.4 | -71.4 | 174.6 | -161.2 | 0 | 0 | 110.5 | D112 K113 A119 E120 | D112-E116 WeakPolarHBondContact O-CG 3.32Å; D112-E116 PolarHBondContact O-N 2.92Å; K113-E116 WeakPolarHBondContact CD-OE2 3.32Å; K113-E116 VanDerWaalsContact NZ-CD 3.33Å; K113-E116 IonicContact NZ-OE1 2.73Å; K113-E116 PolarHBondContact NZ-OE1 3.14Å; K113-E116 IonicContact NZ-OE2 2.74Å; K113-E116 PolarHBondContact NZ-OE2 3.14Å; E116-A119 WeakPolarHBondContact O-CB 3.46Å; E116-A119 PolarHBondContact O-N 2.89Å; E116-E120 PolarHBondContact O-N 2.71Å |
| 117 | W | 95.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176.2 | 173.5 | -99 | 0 | 0 | 0 | 113.2 | V44 V89 V90 K93 K113 I114 W115 A119 E120 S121 | V44-W117 PolarHBondContact O-NE1 3.29Å; V89-W117 HydrophobicContact CG1-CH2 3.84Å; V89-W117 HydrophobicContact CG1-CZ2 3.39Å; V90-W117 HydrophobicContact CG2-CB 3.61Å; V90-W117 HydrophobicContact CG2-CD2 4.15Å; V90-W117 HydrophobicContact CG2-CG 3.47Å; V90-W117 VanDerWaalsContact CG2-CG 3.47Å; K93-W117 HydrophobicContact CD-CE3 4.01Å; K93-W117 HydrophobicContact CD-CZ3 4.04Å; K113-W117 PolarHBondContact O-N 2.97Å; K113-W117 VanDerWaalsContact O-N 3.11Å; I114-W117 CarbonylContact O-C 3.57Å; I114-W117 WeakPolarHBondContact O-CB 3.42Å; I114-W117 PolarHBondContact O-N 3.08Å; W115-W117 VanDerWaalsContact C-N 3.3Å; W115-W117 PolarHBondContact O-N 2.72Å; W117-A119 VanDerWaalsContact C-N 3.26Å; W117-A119 PolarHBondContact O-N 3.39Å; W117-E120 PolarHBondContact O-N 3.44Å; W117-S121 WeakPolarHBondContact O-CB 3.35Å; W117-S121 PolarHBondContact O-N 2.9Å |
| 118 | K | 95.5 | Very high | 95.7 | Very high | 43 Ų | 43 | 48 Ų | 48 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -40.6 | 175.4 | -176.1 | -87.7 | 174.1 | -173.1 | 0 | 110.6 | V44 I114 W115 G122 F143 | V44-K118 HydrophobicContact CG1-CG 4.28Å; V44-K118 HydrophobicContact CG2-CG 4.42Å; I114-K118 WeakPolarHBondContact O-CB 3.41Å; I114-K118 PolarHBondContact O-N 3.04Å; W115-K118 HydrophobicContact CE3-CB 4.31Å; W115-K118 HydrophobicContact CE3-CD 4.21Å; W115-K118 HydrophobicContact CE3-CG 4.35Å; W115-K118 HydrophobicContact CZ3-CD 4.13Å; W115-K118 HydrophobicContact CZ3-CG 4.41Å; W115-K118 WeakPolarHBondContact O-CB 3.3Å; W115-K118 PolarHBondContact O-N 3.29Å; K118-G122 VanDerWaalsContact O-CA 3.28Å; K118-G122 WeakPolarHBondContact O-CA 3.23Å; K118-G122 PolarHBondContact O-N 3.19Å; K118-F143 HydrophobicContact CD-CE1 4.44Å; K118-F143 HydrophobicContact CD-CZ 4.48Å; K118-F143 HydrophobicContact CG-CE1 4.09Å; K118-F143 HydrophobicContact CG-CE2 4.02Å; K118-F143 HydrophobicContact CG-CZ 3.76Å |
| 119 | A | 94.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 55% | 0.554 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.9 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W115 E116 W117 G123 | W115-A119 PolarHBondContact O-N 3.4Å; E116-A119 WeakPolarHBondContact O-CB 3.46Å; E116-A119 PolarHBondContact O-N 2.89Å; W117-A119 VanDerWaalsContact C-N 3.26Å; W117-A119 PolarHBondContact O-N 3.39Å; A119-G123 PolarHBondContact O-N 3.2Å |
| 120 | E | 93.5 | Very high | 95.8 | Very high | 101 Ų | 101 | 43.5 Ų | 43.5 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -55 | 177.6 | -173 | -171 | 157.4 | 0 | 0 | 112.6 | K93 E116 W117 G123 T124 | K93-E120 IonicContact NZ-OE2 3.94Å; K93-E120 PolarHBondContact NZ-OE2 2.95Å; E116-E120 PolarHBondContact O-N 2.71Å; W117-E120 PolarHBondContact O-N 3.44Å; E120-G123 PolarHBondContact O-N 2.92Å; E120-T124 PolarHBondContact O-N 3.06Å; E120-T124 VanDerWaalsContact O-N 3.09Å; E120-T124 PolarHBondContact O-OG1 2.85Å |
| 121 | S | 92.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -42.1 | -178.1 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | V44 T45 G46 W117 T124 I125 | V44-S121 VanDerWaalsContact C-OG 3.26Å; V44-S121 WeakPolarHBondContact CA-OG 3.41Å; T45-S121 PolarHBondContact N-OG 3.41Å; G46-S121 WeakPolarHBondContact CA-OG 3.23Å; G46-S121 PolarHBondContact N-OG 3.49Å; G46-S121 PolarHBondContact O-OG 3.4Å; W117-S121 WeakPolarHBondContact O-CB 3.35Å; W117-S121 PolarHBondContact O-N 2.9Å; S121-T124 WeakPolarHBondContact O-CB 3.46Å; S121-T124 PolarHBondContact O-N 3.49Å; S121-I125 WeakPolarHBondContact O-CG1 3.45Å; S121-I125 PolarHBondContact O-N 3.44Å |
| 122 | G | 91.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K118 T124 I125 T126 | K118-G122 VanDerWaalsContact O-CA 3.28Å; K118-G122 WeakPolarHBondContact O-CA 3.23Å; K118-G122 PolarHBondContact O-N 3.19Å; G122-T124 VanDerWaalsContact C-N 3.26Å; G122-T124 PolarHBondContact O-N 3.24Å; G122-I125 PolarHBondContact O-N 3.26Å; G122-T126 WeakPolarHBondContact O-CG2 3.43Å; G122-T126 PolarHBondContact O-N 3.39Å; G122-T126 PolarHBondContact O-OG1 2.88Å |
| 123 | G | 92 | Very high | 95.9 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.5 | -33.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A119 E120 T126 R127 | A119-G123 PolarHBondContact O-N 3.2Å; E120-G123 PolarHBondContact O-N 2.92Å; G123-T126 PolarHBondContact O-OG1 3.12Å; G123-R127 VanDerWaalsContact O-CB 3.3Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.45Å; G123-R127 VanDerWaalsContact O-N 3.08Å |
| 124 | T | 94.7 | Very high | 96 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 18% | 0.184 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.5 | -46.3 | 173.9 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | E120 S121 G122 R127 Q128 | E120-T124 PolarHBondContact O-N 3.06Å; E120-T124 VanDerWaalsContact O-N 3.09Å; E120-T124 PolarHBondContact O-OG1 2.85Å; S121-T124 WeakPolarHBondContact O-CB 3.46Å; S121-T124 PolarHBondContact O-N 3.49Å; G122-T124 VanDerWaalsContact C-N 3.26Å; G122-T124 PolarHBondContact O-N 3.24Å; T124-R127 PolarHBondContact O-N 3.27Å; T124-Q128 WeakPolarHBondContact O-CG 3.34Å; T124-Q128 PolarHBondContact O-N 3.32Å |
| 125 | I | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -50 | 177.8 | -72 | 162 | 0 | 0 | 0 | 110.6 | P42 V44 L48 T79 S121 G122 R127 Q128 M129 | P42-I125 HydrophobicContact CB-CD1 4.3Å; P42-I125 HydrophobicContact CB-CG2 4.21Å; P42-I125 HydrophobicContact CG-CG2 4.18Å; V44-I125 HydrophobicContact CG1-CD1 4.45Å; L48-I125 HydrophobicContact CD1-CG2 4.32Å; L48-I125 HydrophobicContact CD2-CG1 4.12Å; L48-I125 HydrophobicContact CD2-CG2 3.96Å; L48-I125 HydrophobicContact CG-CG1 4.33Å; L48-I125 HydrophobicContact CG-CG2 4.2Å; T79-I125 HydrophobicContact CG2-CD1 4.24Å; T79-I125 HydrophobicContact CG2-CG2 4.06Å; S121-I125 WeakPolarHBondContact O-CG1 3.45Å; S121-I125 PolarHBondContact O-N 3.44Å; G122-I125 PolarHBondContact O-N 3.26Å; I125-R127 VanDerWaalsContact C-N 3.34Å; I125-R127 PolarHBondContact O-N 2.91Å; I125-Q128 PolarHBondContact O-N 3.02Å; I125-M129 HydrophobicContact CG2-CG 4.5Å; I125-M129 HydrophobicContact CG2-SD 3.96Å; I125-M129 WeakPolarHBondContact O-CG 3.48Å; I125-M129 PolarHBondContact O-N 3.39Å |
| 126 | T | 95.9 | Very high | 96 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -37.3 | -178.3 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | G122 G123 M129 R130 W138 E141 | G122-T126 WeakPolarHBondContact O-CG2 3.43Å; G122-T126 PolarHBondContact O-N 3.39Å; G122-T126 PolarHBondContact O-OG1 2.88Å; G123-T126 PolarHBondContact O-OG1 3.12Å; T126-M129 PolarHBondContact O-N 2.94Å; T126-R130 WeakPolarHBondContact O-CG 3.36Å; T126-R130 PolarHBondContact O-N 3.47Å; T126-W138 HydrophobicContact CG2-CZ3 3.82Å; T126-E141 WeakPolarHBondContact CG2-OE1 3.29Å |
| 127 | R | 96.1 | Very high | 96 | Very high | 135 Ų | 135 | 28.6 Ų | 28.6 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 171.3 | -176.1 | -176.9 | 69.5 | -113.7 | 1.3 | 111.9 | G123 T124 I125 M129 R130 R131 | G123-R127 VanDerWaalsContact O-CB 3.3Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.45Å; G123-R127 VanDerWaalsContact O-N 3.08Å; T124-R127 PolarHBondContact O-N 3.27Å; I125-R127 VanDerWaalsContact C-N 3.34Å; I125-R127 PolarHBondContact O-N 2.91Å; R127-M129 VanDerWaalsContact C-N 3.35Å; R127-M129 PolarHBondContact O-N 3.26Å; R127-R130 PolarHBondContact O-N 3.06Å; R127-R131 WeakPolarHBondContact O-CG 3.39Å; R127-R131 PolarHBondContact O-N 2.82Å |
| 128 | Q | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 178.2 | -71.1 | 176.2 | -72.1 | 0 | 0 | 111.8 | L48 T124 I125 R130 R131 L132 D564 L566 | L48-Q128 HydrophobicContact CD1-CB 4.01Å; L48-Q128 HydrophobicContact CG-CB 4.36Å; L48-Q128 PolarHBondContact O-NE2 3.05Å; T124-Q128 WeakPolarHBondContact O-CG 3.34Å; T124-Q128 PolarHBondContact O-N 3.32Å; I125-Q128 PolarHBondContact O-N 3.02Å; Q128-R130 PolarHBondContact O-N 3.5Å; Q128-R131 PolarHBondContact O-N 3.2Å; Q128-L132 VanDerWaalsContact O-CG 3.3Å; Q128-L132 WeakPolarHBondContact O-CG 3.47Å; Q128-L132 PolarHBondContact O-N 3.09Å; Q128-D564 PolarHBondContact NE2-OD1 2.72Å; Q128-D564 PolarHBondContact NE2-OD2 2.94Å; Q128-L566 HydrophobicContact CB-CD1 4.35Å; Q128-L566 HydrophobicContact CB-CG 4.47Å; Q128-L566 HydrophobicContact CG-CD1 3.75Å; Q128-L566 HydrophobicContact CG-CG 4.04Å |
| 129 | M | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.1 | -70.9 | -179.9 | 72 | 0 | 0 | 112.9 | I39 L48 V77 I125 T126 R127 L132 G133 N134 W138 | I39-M129 HydrophobicContact CD1-CE 3.53Å; L48-M129 HydrophobicContact CD1-CG 3.64Å; V77-M129 HydrophobicContact CG2-CE 3.66Å; V77-M129 HydrophobicContact CG2-SD 4.25Å; I125-M129 HydrophobicContact CG2-CG 4.5Å; I125-M129 HydrophobicContact CG2-SD 3.96Å; I125-M129 WeakPolarHBondContact O-CG 3.48Å; I125-M129 PolarHBondContact O-N 3.39Å; T126-M129 PolarHBondContact O-N 2.94Å; R127-M129 VanDerWaalsContact C-N 3.35Å; R127-M129 PolarHBondContact O-N 3.26Å; M129-L132 PolarHBondContact O-N 2.99Å; M129-G133 PolarHBondContact O-N 2.87Å; M129-N134 WeakPolarHBondContact CE-ND2 3.21Å; M129-N134 WeakPolarHBondContact O-CB 3.48Å; M129-N134 PolarHBondContact O-N 2.86Å; M129-W138 HydrophobicContact CB-CH2 3.69Å; M129-W138 HydrophobicContact CB-CZ2 4.24Å; M129-W138 HydrophobicContact CE-CH2 4.48Å; M129-W138 HydrophobicContact SD-CH2 4.4Å |
| 130 | R | 97.7 | Very high | 96.1 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 25% | 0.245 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 173.1 | -69.4 | -172.1 | 169.1 | 73 | -0.7 | 111.7 | Y15 E19 T126 R127 Q128 L132 G133 W138 | Y15-R130 HydrophobicContact CD1-CB 3.93Å; Y15-R130 HydrophobicContact CD1-CG 4.24Å; Y15-R130 VanDerWaalsContact CD2-O 3.28Å; Y15-R130 WeakPolarHBondContact CD2-O 3.5Å; Y15-R130 HydrophobicContact CE1-CB 3.45Å; Y15-R130 VanDerWaalsContact CE1-CB 3.45Å; Y15-R130 HydrophobicContact CE1-CG 3.38Å; Y15-R130 WeakPolarHBondContact CE2-O 3.43Å; E19-R130 IonicContact OE1-CZ 3.67Å; E19-R130 IonicContact OE1-NE 3.51Å; E19-R130 PolarHBondContact OE1-NE 2.84Å; E19-R130 VanDerWaalsContact OE1-NE 3.13Å; E19-R130 IonicContact OE1-NH2 2.81Å; E19-R130 PolarHBondContact OE1-NH2 3.47Å; E19-R130 WeakPolarHBondContact OE2-CD 3.5Å; E19-R130 IonicContact OE2-CZ 3.48Å; E19-R130 IonicContact OE2-NE 2.69Å; E19-R130 PolarHBondContact OE2-NE 3.35Å; E19-R130 IonicContact OE2-NH2 3.43Å; T126-R130 WeakPolarHBondContact O-CG 3.36Å; T126-R130 PolarHBondContact O-N 3.47Å; R127-R130 PolarHBondContact O-N 3.06Å; Q128-R130 PolarHBondContact O-N 3.5Å; R130-L132 PolarHBondContact O-N 3.36Å; R130-G133 PolarHBondContact O-N 3.35Å; R130-W138 HydrophobicContact CG-CH2 4.23Å; R130-W138 HydrophobicContact CG-CZ2 3.48Å; R130-W138 VanDerWaalsContact CG-CZ2 3.48Å; R130-W138 VanDerWaalsContact NH2-CD2 3.33Å; R130-W138 VanDerWaalsContact NH2-CG 3.32Å |
| 131 | R | 97.6 | Very high | 96.2 | Very high | 52 Ų | 52 | 32.6 Ų | 32.6 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -31.4 | 177.2 | -71.6 | -59.7 | -49.7 | -72.1 | -6.6 | 112.8 | R127 Q128 G133 L566 D570 T611 | R127-R131 WeakPolarHBondContact O-CG 3.39Å; R127-R131 PolarHBondContact O-N 2.82Å; Q128-R131 PolarHBondContact O-N 3.2Å; R131-G133 PolarHBondContact O-N 3.4Å; R131-L566 HydrophobicContact CB-CD1 4.13Å; R131-L566 HydrophobicContact CB-CD2 3.47Å; R131-L566 VanDerWaalsContact CB-CD2 3.47Å; R131-L566 HydrophobicContact CB-CG 4.46Å; R131-L566 HydrophobicContact CG-CD1 4.15Å; R131-L566 HydrophobicContact CG-CD2 4.34Å; R131-D570 IonicContact CZ-OD1 2.71Å; R131-D570 IonicContact CZ-OD2 2.88Å; R131-D570 IonicContact NH1-OD1 3.29Å; R131-D570 PolarHBondContact NH1-OD1 3.45Å; R131-D570 IonicContact NH1-OD2 3.98Å; R131-D570 PolarHBondContact NH1-OD2 2.92Å; R131-D570 IonicContact NH2-OD1 3.17Å; R131-D570 PolarHBondContact NH2-OD1 2.74Å; R131-D570 IonicContact NH2-OD2 3.7Å; R131-D570 PolarHBondContact NH2-OD2 3.49Å; R131-T611 PolarHBondContact O-OG1 2.77Å |
| 132 | L | 98.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -3.1 | 173.5 | -71.3 | 170.5 | 0 | 0 | 0 | 114.5 | A53 Q128 M129 R130 P565 T611 L614 R615 | A53-L132 HydrophobicContact CB-CD1 3.95Å; A53-L132 HydrophobicContact CB-CD2 4.16Å; Q128-L132 VanDerWaalsContact O-CG 3.3Å; Q128-L132 WeakPolarHBondContact O-CG 3.47Å; Q128-L132 PolarHBondContact O-N 3.09Å; M129-L132 PolarHBondContact O-N 2.99Å; R130-L132 PolarHBondContact O-N 3.36Å; L132-P565 HydrophobicContact CD1-CG 4.14Å; L132-P565 HydrophobicContact CD2-CB 4.11Å; L132-P565 HydrophobicContact CD2-CG 4.48Å; L132-T611 WeakPolarHBondContact O-CG2 3.37Å; L132-L614 HydrophobicContact CD2-CD2 3.81Å; L132-R615 PolarHBondContact O-NH1 2.85Å |
| 133 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 23.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R64 M129 R130 R131 S135 F756 | R64-G133 PolarHBondContact NH2-O 2.9Å; M129-G133 PolarHBondContact O-N 2.87Å; R130-G133 PolarHBondContact O-N 3.35Å; R131-G133 PolarHBondContact O-N 3.4Å; G133-S135 PolarHBondContact O-N 3.17Å; G133-F756 VanDerWaalsContact CA-CZ 3.42Å |
| 134 | N | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | trans | -63.5 | 122.8 | -177.5 | -69.1 | -1 | 0 | 0 | 0 | 111.7 | Y15 Q56 W75 M129 V136 | Y15-N134 WeakPolarHBondContact CE2-O 3.38Å; Y15-N134 PolarHBondContact OH-O 3.11Å; Q56-N134 PolarHBondContact OE1-ND2 3.38Å; W75-N134 HydrophobicContact CH2-CB 3.8Å; W75-N134 HydrophobicContact CZ3-CB 3.51Å; M129-N134 WeakPolarHBondContact CE-ND2 3.21Å; M129-N134 WeakPolarHBondContact O-CB 3.48Å; M129-N134 PolarHBondContact O-N 2.86Å; N134-V136 HydrophobicContact CB-CG1 4.33Å; N134-V136 PolarHBondContact O-N 2.92Å | ||
| 135 | S | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -83.8 | 54.7 | -179.4 | 67.2 | 0 | 0 | 0 | 0 | 113.9 | F24 D60 R67 G133 | F24-S135 VanDerWaalsContact CE1-CB 3.49Å; D60-S135 WeakPolarHBondContact OD1-CB 3.4Å; D60-S135 PolarHBondContact OD1-N 3.15Å; D60-S135 PolarHBondContact OD1-OG 3.23Å; R67-S135 PolarHBondContact NH1-OG 2.77Å; R67-S135 VanDerWaalsContact NH1-OG 3.11Å; R67-S135 PolarHBondContact NH2-O 3.26Å; R67-S135 PolarHBondContact NH2-OG 3.26Å; G133-S135 PolarHBondContact O-N 3.17Å | ||
| 136 | V | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | trans | -93.6 | 152.7 | -180 | -60 | 0 | 0 | 0 | 0 | 112.4 | F24 I39 W75 V77 N134 W138 | F24-V136 VanDerWaalsContact CB-O 3.3Å; F24-V136 WeakPolarHBondContact CB-O 3.31Å; F24-V136 WeakPolarHBondContact CD2-O 3.38Å; I39-V136 HydrophobicContact CD1-CG1 3.6Å; W75-V136 HydrophobicContact CB-CG1 4.23Å; W75-V136 HydrophobicContact CD2-CG1 3.57Å; W75-V136 HydrophobicContact CE3-CG1 3.31Å; W75-V136 HydrophobicContact CG-CG1 4.01Å; W75-V136 HydrophobicContact CH2-CG1 4.42Å; W75-V136 HydrophobicContact CZ3-CG1 3.78Å; V77-V136 HydrophobicContact CB-CB 3.99Å; V77-V136 HydrophobicContact CB-CG1 4.07Å; V77-V136 HydrophobicContact CB-CG2 4.16Å; V77-V136 HydrophobicContact CG1-CB 4.08Å; V77-V136 HydrophobicContact CG1-CG2 4.11Å; V77-V136 HydrophobicContact CG2-CG2 4.35Å; N134-V136 HydrophobicContact CB-CG1 4.33Å; N134-V136 PolarHBondContact O-N 2.92Å; V136-W138 HydrophobicContact CG2-CD2 3.75Å; V136-W138 HydrophobicContact CG2-CE3 4.09Å; V136-W138 HydrophobicContact CG2-CG 4.38Å; V136-W138 HydrophobicContact CG2-CH2 3.73Å; V136-W138 HydrophobicContact CG2-CZ2 3.37Å; V136-W138 HydrophobicContact CG2-CZ3 4.08Å; V136-W138 PolarHBondContact O-N 2.76Å | ||
| 137 | D | 96.1 | Very high | 97.2 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | trans | -83.6 | 101.1 | 169.1 | -176.5 | 5.2 | 0 | 0 | 0 | 110.4 | E139 R140 | D137-E139 PolarHBondContact O-N 3.03Å; D137-E139 PolarHBondContact OD1-N 3.09Å; D137-R140 HydrophobicContact CB-CB 4.45Å; D137-R140 HydrophobicContact CB-CG 4.39Å; D137-R140 PolarHBondContact O-N 3.38Å; D137-R140 VanDerWaalsContact O-N 3.08Å; D137-R140 VanDerWaalsContact OD2-CD 3.22Å; D137-R140 WeakPolarHBondContact OD2-CD 3.48Å; D137-R140 WeakPolarHBondContact OD2-CG 3.37Å; D137-R140 IonicContact OD2-NE 3.99Å; D137-R140 PolarHBondContact OD2-NE 2.82Å | ||
| 138 | W | 95.9 | Very high | 97.2 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -65.2 | -23 | -178.2 | -65.3 | 105.7 | 0 | 0 | 0 | 113.9 | Y15 V77 T126 M129 R130 V136 R140 E141 | Y15-W138 AromaticContact CZ-NE1 3.86Å; Y15-W138 VanDerWaalsContact OH-CZ2 3.28Å; Y15-W138 WeakPolarHBondContact OH-CZ2 3.3Å; Y15-W138 PolarHBondContact OH-NE1 2.89Å; V77-W138 HydrophobicContact CG1-CE3 4.39Å; V77-W138 HydrophobicContact CG2-CH2 4.47Å; V77-W138 HydrophobicContact CG2-CZ3 3.95Å; T126-W138 HydrophobicContact CG2-CZ3 3.82Å; M129-W138 HydrophobicContact CB-CH2 3.69Å; M129-W138 HydrophobicContact CB-CZ2 4.24Å; M129-W138 HydrophobicContact CE-CH2 4.48Å; M129-W138 HydrophobicContact SD-CH2 4.4Å; R130-W138 HydrophobicContact CG-CH2 4.23Å; R130-W138 HydrophobicContact CG-CZ2 3.48Å; R130-W138 VanDerWaalsContact CG-CZ2 3.48Å; R130-W138 VanDerWaalsContact NH2-CD2 3.33Å; R130-W138 VanDerWaalsContact NH2-CG 3.32Å; V136-W138 HydrophobicContact CG2-CD2 3.75Å; V136-W138 HydrophobicContact CG2-CE3 4.09Å; V136-W138 HydrophobicContact CG2-CG 4.38Å; V136-W138 HydrophobicContact CG2-CH2 3.73Å; V136-W138 HydrophobicContact CG2-CZ2 3.37Å; V136-W138 HydrophobicContact CG2-CZ3 4.08Å; V136-W138 PolarHBondContact O-N 2.76Å; W138-R140 PolarHBondContact O-N 2.84Å; W138-E141 WeakPolarHBondContact O-CB 3.38Å; W138-E141 PolarHBondContact O-N 2.84Å |
| 139 | E | 95.5 | Very high | 97.1 | Very high | 152 Ų | 152 | 36.7 Ų | 36.7 | 71% | 0.71 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -69.4 | -15.9 | 175.3 | -68.5 | 177.7 | -168.5 | 0 | 0 | 112.2 | K25 D137 | K25-E139 WeakPolarHBondContact CE-OE2 3.28Å; K25-E139 IonicContact NZ-OE1 2.8Å; K25-E139 PolarHBondContact NZ-OE1 2.96Å; K25-E139 IonicContact NZ-OE2 2.9Å; K25-E139 PolarHBondContact NZ-OE2 2.97Å; D137-E139 PolarHBondContact O-N 3.03Å; D137-E139 PolarHBondContact OD1-N 3.09Å |
| 140 | R | 95.2 | Very high | 97.1 | Very high | 80 Ų | 80 | 37.6 Ų | 37.6 | 30% | 0.302 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -99 | 10.5 | 177.2 | -67.5 | 179.2 | 172.6 | -89.3 | -1 | 113.2 | Q76 D137 W138 R142 | Q76-R140 PolarHBondContact NE2-O 3.47Å; D137-R140 HydrophobicContact CB-CB 4.45Å; D137-R140 HydrophobicContact CB-CG 4.39Å; D137-R140 PolarHBondContact O-N 3.38Å; D137-R140 VanDerWaalsContact O-N 3.08Å; D137-R140 VanDerWaalsContact OD2-CD 3.22Å; D137-R140 WeakPolarHBondContact OD2-CD 3.48Å; D137-R140 WeakPolarHBondContact OD2-CG 3.37Å; D137-R140 IonicContact OD2-NE 3.99Å; D137-R140 PolarHBondContact OD2-NE 2.82Å; W138-R140 PolarHBondContact O-N 2.84Å; R140-R142 WeakPolarHBondContact O-CG 3.33Å; R140-R142 PolarHBondContact O-N 3.06Å |
| 141 | E | 96.7 | Very high | 97.1 | Very high | 67 Ų | 67 | 38 Ų | 38 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | trans | -56.1 | 126.4 | 179.6 | -172.9 | -176.8 | 170.1 | 0 | 0 | 111.9 | V77 T126 W138 | V77-E141 HydrophobicContact CG1-CB 4.18Å; T126-E141 WeakPolarHBondContact CG2-OE1 3.29Å; W138-E141 WeakPolarHBondContact O-CB 3.38Å; W138-E141 PolarHBondContact O-N 2.84Å | ||
| 142 | R | 97 | Very high | 97.2 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 19% | 0.185 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 159.7 | 177.5 | -60.7 | -54.9 | -65.6 | -117.9 | -4.9 | 112.6 | V77 G78 T79 R140 D146 W482 T486 | V77-R142 PolarHBondContact O-N 2.8Å; V77-R142 VanDerWaalsContact O-N 3.09Å; G78-R142 CarbonylContact C-O 3.5Å; G78-R142 WeakPolarHBondContact CA-O 3.48Å; T79-R142 PolarHBondContact N-O 3.05Å; R140-R142 WeakPolarHBondContact O-CG 3.33Å; R140-R142 PolarHBondContact O-N 3.06Å; R142-D146 IonicContact CZ-OD1 3.62Å; R142-D146 IonicContact CZ-OD2 3.69Å; R142-D146 IonicContact NE-OD1 2.82Å; R142-D146 PolarHBondContact NE-OD1 2.97Å; R142-D146 IonicContact NE-OD2 2.65Å; R142-D146 PolarHBondContact NE-OD2 3.35Å; R142-D146 IonicContact NH2-OD1 3.16Å; R142-D146 PolarHBondContact NH2-OD1 3.25Å; R142-D146 IonicContact NH2-OD2 2.71Å; R142-W482 HydrophobicContact CB-CH2 3.72Å; R142-W482 HydrophobicContact CB-CZ3 4.09Å; R142-T486 HydrophobicContact CB-CG2 3.92Å; R142-T486 HydrophobicContact CG-CG2 3.86Å |
| 143 | F | 97.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.6 | 170.9 | 179.2 | -125.8 | 0 | 0 | 0 | 108.6 | V44 T79 H81 W115 K118 M145 D146 W431 | V44-F143 HydrophobicContact CG1-CE2 4.1Å; V44-F143 HydrophobicContact CG2-CE2 4.31Å; T79-F143 WeakPolarHBondContact O-CA 3.29Å; T79-F143 VanDerWaalsContact O-CD2 3.23Å; T79-F143 WeakPolarHBondContact O-CD2 3.29Å; T79-F143 WeakPolarHBondContact OG1-CD2 3.41Å; H81-F143 HydrophobicContact CB-CE1 4.34Å; H81-F143 HydrophobicContact CB-CE2 3.9Å; H81-F143 HydrophobicContact CB-CZ 3.5Å; W115-F143 HydrophobicContact CE3-CE1 4.49Å; W115-F143 AromaticContact CH2-CD1 3.79Å; W115-F143 HydrophobicContact CH2-CD1 3.79Å; W115-F143 AromaticContact CH2-CE1 3.52Å; W115-F143 HydrophobicContact CH2-CE1 3.52Å; W115-F143 HydrophobicContact CZ2-CE1 4.49Å; W115-F143 AromaticContact CZ3-CD1 3.8Å; W115-F143 HydrophobicContact CZ3-CD1 3.8Å; W115-F143 AromaticContact CZ3-CE1 3.51Å; W115-F143 HydrophobicContact CZ3-CE1 3.51Å; K118-F143 HydrophobicContact CD-CE1 4.44Å; K118-F143 HydrophobicContact CD-CZ 4.48Å; K118-F143 HydrophobicContact CG-CE1 4.09Å; K118-F143 HydrophobicContact CG-CE2 4.02Å; K118-F143 HydrophobicContact CG-CZ 3.76Å; F143-M145 HydrophobicContact CD1-CB 3.95Å; F143-M145 HydrophobicContact CE1-CB 3.65Å; F143-M145 HydrophobicContact CE1-CG 4.36Å; F143-M145 HydrophobicContact CZ-CB 4.46Å; F143-M145 PolarHBondContact O-N 3.2Å; F143-D146 HydrophobicContact CB-CB 4.21Å; F143-D146 PolarHBondContact N-OD2 3.44Å; F143-D146 WeakPolarHBondContact O-CB 3.48Å; F143-D146 PolarHBondContact O-N 3.03Å; F143-W431 HydrophobicContact CE1-CZ2 4.33Å; F143-W431 HydrophobicContact CZ-CZ2 4.01Å |
| 144 | T | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -8.4 | -178.5 | 50.8 | 0 | 0 | 0 | 0 | 115 | T79 D80 H81 L149 H433 W482 | T79-T144 PolarHBondContact O-N 3.28Å; T79-T144 VanDerWaalsContact O-N 3.08Å; D80-T144 WeakPolarHBondContact CA-OG1 3.43Å; D80-T144 VanDerWaalsContact OD2-CG2 3.27Å; D80-T144 WeakPolarHBondContact OD2-CG2 3.48Å; H81-T144 PolarHBondContact N-OG1 3.47Å; H81-T144 PolarHBondContact ND1-OG1 2.94Å; T144-L149 HydrophobicContact CG2-CD1 4.48Å; T144-L149 WeakPolarHBondContact O-CD2 3.34Å; T144-H433 PolarHBondContact O-CE1 3.48Å; T144-H433 PolarHBondContact O-NE2 2.67Å; T144-W482 HydrophobicContact CG2-CE3 3.82Å; T144-W482 HydrophobicContact CG2-CZ3 3.66Å |
| 145 | M | 97.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 14% | 0.138 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 23.4 | 167.8 | -60.3 | 175.9 | 62.8 | 0 | 0 | 113.1 | H81 W115 F143 S150 W431 G432 | H81-M145 HydrophobicContact CB-CG 3.8Å; H81-M145 HydrophobicContact CB-SD 3.59Å; H81-M145 VanDerWaalsContact CB-SD 3.59Å; W115-M145 HydrophobicContact CH2-CB 4.3Å; F143-M145 HydrophobicContact CD1-CB 3.95Å; F143-M145 HydrophobicContact CE1-CB 3.65Å; F143-M145 HydrophobicContact CE1-CG 4.36Å; F143-M145 HydrophobicContact CZ-CB 4.46Å; F143-M145 PolarHBondContact O-N 3.2Å; M145-S150 PolarHBondContact O-OG 3.47Å; M145-W431 HydrophobicContact CE-CH2 4.45Å; M145-W431 HydrophobicContact CE-CZ3 4.39Å; M145-W431 HydrophobicContact SD-CD2 4.34Å; M145-W431 HydrophobicContact SD-CH2 4.18Å; M145-W431 HydrophobicContact SD-CZ2 3.86Å; M145-G432 WeakPolarHBondContact CE-O 3.15Å |
| 146 | D | 97.1 | Very high | 97.2 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -65.9 | 163.1 | 165.8 | 70.7 | 54.5 | 0 | 0 | 0 | 110.9 | R142 F143 G148 L149 S150 | R142-D146 IonicContact CZ-OD1 3.62Å; R142-D146 IonicContact CZ-OD2 3.69Å; R142-D146 IonicContact NE-OD1 2.82Å; R142-D146 PolarHBondContact NE-OD1 2.97Å; R142-D146 IonicContact NE-OD2 2.65Å; R142-D146 PolarHBondContact NE-OD2 3.35Å; R142-D146 IonicContact NH2-OD1 3.16Å; R142-D146 PolarHBondContact NH2-OD1 3.25Å; R142-D146 IonicContact NH2-OD2 2.71Å; F143-D146 HydrophobicContact CB-CB 4.21Å; F143-D146 PolarHBondContact N-OD2 3.44Å; F143-D146 WeakPolarHBondContact O-CB 3.48Å; F143-D146 PolarHBondContact O-N 3.03Å; D146-G148 PolarHBondContact O-N 3.3Å; D146-G148 PolarHBondContact OD1-N 2.89Å; D146-L149 PolarHBondContact O-N 3.33Å; D146-L149 WeakPolarHBondContact OD1-CB 3.37Å; D146-L149 PolarHBondContact OD1-N 2.84Å; D146-S150 VanDerWaalsContact O-CB 3.26Å; D146-S150 WeakPolarHBondContact O-CB 3.33Å; D146-S150 PolarHBondContact O-N 3.45Å; D146-S150 PolarHBondContact O-OG 3.39Å |
| 147 | E | 96.7 | Very high | 97.3 | Very high | 161 Ų | 161 | 40.1 Ų | 40.1 | 75% | 0.752 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -57.8 | -49.8 | -172.9 | -176.1 | -179.4 | -180 | 0 | 0 | 112.6 | L149 S150 N151 | E147-L149 PolarHBondContact O-N 2.89Å; E147-S150 PolarHBondContact O-N 3.46Å; E147-N151 VanDerWaalsContact O-CG 3.25Å; E147-N151 PolarHBondContact O-N 3.11Å; E147-N151 PolarHBondContact O-ND2 3.46Å |
| 148 | G | 95.9 | Very high | 97.4 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63 | -41.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D146 N151 A152 | D146-G148 PolarHBondContact O-N 3.3Å; D146-G148 PolarHBondContact OD1-N 2.89Å; G148-N151 PolarHBondContact O-N 3.34Å; G148-A152 PolarHBondContact O-N 3.48Å; G148-A152 VanDerWaalsContact O-N 3.11Å |
| 149 | L | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.9 | -37.5 | 178.9 | -160 | 148.6 | 0 | 0 | 0 | 111.4 | T144 D146 E147 N151 A152 V153 W482 S485 T486 | T144-L149 HydrophobicContact CG2-CD1 4.48Å; T144-L149 WeakPolarHBondContact O-CD2 3.34Å; D146-L149 PolarHBondContact O-N 3.33Å; D146-L149 WeakPolarHBondContact OD1-CB 3.37Å; D146-L149 PolarHBondContact OD1-N 2.84Å; E147-L149 PolarHBondContact O-N 2.89Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.93Å; L149-A152 WeakPolarHBondContact O-CB 3.24Å; L149-A152 PolarHBondContact O-N 2.85Å; L149-A152 VanDerWaalsContact O-N 3.14Å; L149-V153 HydrophobicContact CD2-CG2 3.76Å; L149-V153 WeakPolarHBondContact O-CG2 3.49Å; L149-V153 PolarHBondContact O-N 2.93Å; L149-W482 HydrophobicContact CD1-CE3 3.77Å; L149-W482 HydrophobicContact CD1-CZ3 3.73Å; L149-S485 VanDerWaalsContact CD1-OG 3.26Å; L149-S485 WeakPolarHBondContact CD1-OG 3.34Å; L149-S485 WeakPolarHBondContact CG-OG 3.5Å; L149-T486 HydrophobicContact CD1-CG2 4.34Å |
| 150 | S | 98.1 | Very high | 97.6 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | M145 D146 E147 V153 K154 H433 | M145-S150 PolarHBondContact O-OG 3.47Å; D146-S150 VanDerWaalsContact O-CB 3.26Å; D146-S150 WeakPolarHBondContact O-CB 3.33Å; D146-S150 PolarHBondContact O-N 3.45Å; D146-S150 PolarHBondContact O-OG 3.39Å; E147-S150 PolarHBondContact O-N 3.46Å; S150-V153 PolarHBondContact O-N 3.3Å; S150-K154 WeakPolarHBondContact O-CG 3.23Å; S150-K154 PolarHBondContact O-N 2.82Å; S150-K154 VanDerWaalsContact O-N 3.09Å; S150-H433 PolarHBondContact OG-CE1 3.44Å |
| 151 | N | 97.9 | Very high | 97.8 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 40% | 0.396 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 172.7 | -69.6 | -23.1 | 0 | 0 | 0 | 111.7 | E147 G148 L149 V153 K154 E155 | E147-N151 VanDerWaalsContact O-CG 3.25Å; E147-N151 PolarHBondContact O-N 3.11Å; E147-N151 PolarHBondContact O-ND2 3.46Å; G148-N151 PolarHBondContact O-N 3.34Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.93Å; N151-V153 PolarHBondContact O-N 2.99Å; N151-K154 PolarHBondContact O-N 3Å; N151-E155 PolarHBondContact O-N 3.3Å |
| 152 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G148 L149 K154 E155 V156 L481 W489 | G148-A152 PolarHBondContact O-N 3.48Å; G148-A152 VanDerWaalsContact O-N 3.11Å; L149-A152 WeakPolarHBondContact O-CB 3.24Å; L149-A152 PolarHBondContact O-N 2.85Å; L149-A152 VanDerWaalsContact O-N 3.14Å; A152-K154 PolarHBondContact O-N 3.41Å; A152-E155 WeakPolarHBondContact O-CB 3.38Å; A152-E155 PolarHBondContact O-N 3.24Å; A152-V156 WeakPolarHBondContact O-CG2 3.41Å; A152-V156 PolarHBondContact O-N 2.64Å; A152-L481 HydrophobicContact CB-CD1 4.46Å; A152-W489 HydrophobicContact CB-CE3 3.7Å; A152-W489 HydrophobicContact CB-CZ3 3.88Å; A152-W489 WeakPolarHBondContact CB-O 3.23Å |
| 153 | V | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 178.1 | 170 | 0 | 0 | 0 | 0 | 111.5 | L149 S150 N151 V156 F157 H433 L473 F477 L481 | L149-V153 HydrophobicContact CD2-CG2 3.76Å; L149-V153 WeakPolarHBondContact O-CG2 3.49Å; L149-V153 PolarHBondContact O-N 2.93Å; S150-V153 PolarHBondContact O-N 3.3Å; N151-V153 PolarHBondContact O-N 2.99Å; V153-V156 PolarHBondContact O-N 2.76Å; V153-F157 PolarHBondContact O-N 3.43Å; V153-H433 HydrophobicContact CG1-CB 4Å; V153-L473 HydrophobicContact CG1-CD1 3.48Å; V153-L473 VanDerWaalsContact CG1-CD1 3.48Å; V153-F477 HydrophobicContact CG1-CD1 4.07Å; V153-F477 HydrophobicContact CG1-CE1 4.12Å; V153-L481 HydrophobicContact CB-CD1 4.45Å; V153-L481 HydrophobicContact CG2-CD1 3.81Å |
| 154 | K | 98.4 | Very high | 97.9 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 34% | 0.339 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.5 | -69.4 | 166.8 | -180 | 179.9 | 0 | 111.5 | S150 N151 A152 V156 F157 V158 P436 R449 | S150-K154 WeakPolarHBondContact O-CG 3.23Å; S150-K154 PolarHBondContact O-N 2.82Å; S150-K154 VanDerWaalsContact O-N 3.09Å; N151-K154 PolarHBondContact O-N 3Å; A152-K154 PolarHBondContact O-N 3.41Å; K154-V156 PolarHBondContact O-N 2.8Å; K154-F157 PolarHBondContact O-N 2.9Å; K154-V158 WeakPolarHBondContact O-CB 3.26Å; K154-V158 VanDerWaalsContact O-CG2 3.27Å; K154-V158 WeakPolarHBondContact O-CG2 3.46Å; K154-V158 PolarHBondContact O-N 3.16Å; K154-P436 HydrophobicContact CG-CB 4.45Å; K154-R449 HydrophobicContact CB-CB 4.42Å; K154-R449 HydrophobicContact CB-CG 4.44Å; K154-R449 WeakPolarHBondContact CD-O 3.41Å |
| 155 | E | 98.4 | Very high | 97.9 | Very high | 20 Ų | 20 | 45 Ų | 45 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 178.2 | -174.3 | 66.3 | -157.7 | 0 | 0 | 111.5 | N151 A152 V158 R159 R449 W489 P490 | N151-E155 PolarHBondContact O-N 3.3Å; A152-E155 WeakPolarHBondContact O-CB 3.38Å; A152-E155 PolarHBondContact O-N 3.24Å; E155-V158 PolarHBondContact O-N 3.47Å; E155-R159 WeakPolarHBondContact O-CB 3.47Å; E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.45Å; E155-R159 IonicContact OE1-CZ 3.17Å; E155-R159 IonicContact OE1-NE 2.69Å; E155-R159 PolarHBondContact OE1-NE 2.95Å; E155-R159 IonicContact OE1-NH2 2.82Å; E155-R159 PolarHBondContact OE1-NH2 3.02Å; E155-R449 IonicContact OE1-CZ 2.92Å; E155-R449 IonicContact OE1-NH2 2.83Å; E155-R449 PolarHBondContact OE1-NH2 3.48Å; E155-R449 IonicContact OE2-CZ 3.55Å; E155-R449 IonicContact OE2-NE 3.85Å; E155-R449 PolarHBondContact OE2-NE 2.9Å; E155-R449 IonicContact OE2-NH2 3.67Å; E155-R449 PolarHBondContact OE2-NH2 3.19Å; E155-W489 HydrophobicContact CB-CH2 3.9Å; E155-W489 HydrophobicContact CB-CZ3 3.91Å; E155-W489 HydrophobicContact CG-CH2 3.53Å; E155-W489 HydrophobicContact CG-CZ2 4.3Å; E155-W489 HydrophobicContact CG-CZ3 4Å; E155-P490 HydrophobicContact CB-CB 4.48Å; E155-P490 HydrophobicContact CB-CG 4.31Å; E155-P490 HydrophobicContact CG-CB 3.96Å; E155-P490 HydrophobicContact CG-CG 4.23Å |
| 156 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 179 | 161.6 | 0 | 0 | 0 | 0 | 111.3 | A152 V153 K154 V158 R159 L160 F477 L481 W489 M522 F526 | A152-V156 WeakPolarHBondContact O-CG2 3.41Å; A152-V156 PolarHBondContact O-N 2.64Å; V153-V156 PolarHBondContact O-N 2.76Å; K154-V156 PolarHBondContact O-N 2.8Å; V156-V158 PolarHBondContact O-N 3.31Å; V156-R159 PolarHBondContact O-N 2.78Å; V156-L160 HydrophobicContact CG1-CD1 3.89Å; V156-L160 WeakPolarHBondContact O-CG 3.4Å; V156-L160 PolarHBondContact O-N 2.86Å; V156-F477 HydrophobicContact CG1-CE1 3.91Å; V156-F477 HydrophobicContact CG1-CE2 4.44Å; V156-F477 HydrophobicContact CG1-CZ 3.64Å; V156-L481 HydrophobicContact CB-CD1 4.12Å; V156-L481 HydrophobicContact CB-CD2 4.49Å; V156-L481 HydrophobicContact CG1-CD1 4.5Å; V156-L481 HydrophobicContact CG1-CD2 4.2Å; V156-L481 HydrophobicContact CG2-CD1 3.72Å; V156-L481 HydrophobicContact CG2-CD2 3.88Å; V156-L481 HydrophobicContact CG2-CG 4.46Å; V156-W489 HydrophobicContact CG2-CH2 3.52Å; V156-W489 HydrophobicContact CG2-CZ3 3.58Å; V156-M522 HydrophobicContact CG1-SD 4.27Å; V156-F526 HydrophobicContact CB-CE2 3.92Å; V156-F526 HydrophobicContact CB-CZ 3.8Å; V156-F526 HydrophobicContact CG1-CD2 4.47Å; V156-F526 HydrophobicContact CG1-CE2 3.44Å; V156-F526 VanDerWaalsContact CG1-CE2 3.44Å; V156-F526 HydrophobicContact CG1-CZ 3.57Å; V156-F526 HydrophobicContact CG2-CD2 3.87Å; V156-F526 HydrophobicContact CG2-CE1 4.22Å; V156-F526 HydrophobicContact CG2-CE2 3.53Å; V156-F526 HydrophobicContact CG2-CG 4.36Å; V156-F526 HydrophobicContact CG2-CZ 3.68Å |
| 157 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.2 | -49.2 | -180 | -172.4 | -79.9 | 0 | 0 | 0 | 111.4 | V153 K154 R159 L160 Y161 I166 W382 I425 I435 P436 V447 L473 F477 | V153-F157 PolarHBondContact O-N 3.43Å; K154-F157 PolarHBondContact O-N 2.9Å; F157-R159 PolarHBondContact O-N 3.38Å; F157-L160 PolarHBondContact O-N 3.26Å; F157-Y161 WeakPolarHBondContact O-CB 3.48Å; F157-Y161 PolarHBondContact O-N 3.21Å; F157-I166 HydrophobicContact CB-CD1 4.46Å; F157-I166 HydrophobicContact CD2-CD1 3.66Å; F157-I166 HydrophobicContact CE1-CG2 4.31Å; F157-I166 HydrophobicContact CE2-CD1 3.99Å; F157-I166 HydrophobicContact CE2-CG2 3.97Å; F157-I166 HydrophobicContact CG-CD1 4.03Å; F157-I166 HydrophobicContact CZ-CG2 3.82Å; F157-W382 HydrophobicContact CE1-CZ3 4.25Å; F157-W382 HydrophobicContact CE2-CE3 4.36Å; F157-W382 AromaticContact CZ-CD2 3.94Å; F157-W382 HydrophobicContact CZ-CD2 3.94Å; F157-W382 AromaticContact CZ-CE3 3.64Å; F157-W382 HydrophobicContact CZ-CE3 3.64Å; F157-W382 HydrophobicContact CZ-CH2 4.21Å; F157-W382 HydrophobicContact CZ-CZ2 4.5Å; F157-W382 AromaticContact CZ-CZ3 3.77Å; F157-W382 HydrophobicContact CZ-CZ3 3.77Å; F157-I425 HydrophobicContact CD2-CD1 4.15Å; F157-I425 HydrophobicContact CE2-CD1 3.82Å; F157-I435 HydrophobicContact CE1-CG2 4.18Å; F157-I435 HydrophobicContact CE2-CG2 3.77Å; F157-I435 HydrophobicContact CZ-CG2 3.47Å; F157-I435 VanDerWaalsContact CZ-CG2 3.47Å; F157-P436 HydrophobicContact CB-CG 3.75Å; F157-P436 HydrophobicContact CD1-CG 3.44Å; F157-P436 VanDerWaalsContact CD1-CG 3.44Å; F157-P436 HydrophobicContact CD2-CG 4.38Å; F157-P436 HydrophobicContact CE1-CG 4.11Å; F157-P436 HydrophobicContact CG-CG 3.59Å; F157-V447 HydrophobicContact CD1-CG1 3.82Å; F157-V447 HydrophobicContact CE1-CG1 3.71Å; F157-V447 HydrophobicContact CE1-CG2 4.14Å; F157-L473 HydrophobicContact CD2-CD1 4.33Å; F157-L473 HydrophobicContact CD2-CD2 3.73Å; F157-L473 HydrophobicContact CE2-CD2 3.81Å; F157-F477 HydrophobicContact CB-CE1 4.27Å; F157-F477 HydrophobicContact CB-CZ 4.19Å; F157-F477 HydrophobicContact CD2-CZ 4.17Å |
| 158 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | -177.8 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | K154 E155 V156 Y161 K162 V447 R449 | K154-V158 WeakPolarHBondContact O-CB 3.26Å; K154-V158 VanDerWaalsContact O-CG2 3.27Å; K154-V158 WeakPolarHBondContact O-CG2 3.46Å; K154-V158 PolarHBondContact O-N 3.16Å; E155-V158 PolarHBondContact O-N 3.47Å; V156-V158 PolarHBondContact O-N 3.31Å; V158-Y161 PolarHBondContact O-N 2.84Å; V158-K162 HydrophobicContact CG1-CD 3.96Å; V158-K162 HydrophobicContact CG1-CG 4.47Å; V158-K162 WeakPolarHBondContact O-CB 3.37Å; V158-K162 WeakPolarHBondContact O-CG 3.34Å; V158-K162 PolarHBondContact O-N 2.99Å; V158-V447 HydrophobicContact CG2-CG1 4Å; V158-R449 HydrophobicContact CG2-CG 4.04Å |
| 159 | R | 98.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 40 Ų | 40 | 36% | 0.355 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.7 | -50.5 | 176.8 | -76 | -171.6 | -171.8 | -173.2 | 10.7 | 112.2 | E155 V156 F157 Y161 K162 E163 F526 | E155-R159 WeakPolarHBondContact O-CB 3.47Å; E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.45Å; E155-R159 IonicContact OE1-CZ 3.17Å; E155-R159 IonicContact OE1-NE 2.69Å; E155-R159 PolarHBondContact OE1-NE 2.95Å; E155-R159 IonicContact OE1-NH2 2.82Å; E155-R159 PolarHBondContact OE1-NH2 3.02Å; V156-R159 PolarHBondContact O-N 2.78Å; F157-R159 PolarHBondContact O-N 3.38Å; R159-Y161 PolarHBondContact O-N 3.3Å; R159-K162 PolarHBondContact O-N 3.46Å; R159-K162 VanDerWaalsContact O-N 3.15Å; R159-E163 WeakPolarHBondContact O-CB 3.46Å; R159-E163 VanDerWaalsContact O-CG 3.25Å; R159-E163 WeakPolarHBondContact O-CG 3.48Å; R159-E163 PolarHBondContact O-N 2.99Å; R159-F526 HydrophobicContact CB-CE1 3.81Å; R159-F526 HydrophobicContact CB-CZ 4.44Å; R159-F526 HydrophobicContact CG-CE1 4.46Å |
| 160 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 178.4 | -67 | 170.3 | 0 | 0 | 0 | 111.7 | V156 F157 E163 D164 L165 I166 F477 M522 H525 F526 | V156-L160 HydrophobicContact CG1-CD1 3.89Å; V156-L160 WeakPolarHBondContact O-CG 3.4Å; V156-L160 PolarHBondContact O-N 2.86Å; F157-L160 PolarHBondContact O-N 3.26Å; L160-E163 CarbonylContact O-C 3.48Å; L160-E163 PolarHBondContact O-N 3.23Å; L160-D164 PolarHBondContact O-N 2.68Å; L160-L165 HydrophobicContact CB-CB 4.11Å; L160-L165 HydrophobicContact CD2-CB 3.92Å; L160-L165 HydrophobicContact CD2-CD1 3.74Å; L160-L165 WeakPolarHBondContact O-CA 3.5Å; L160-L165 PolarHBondContact O-N 2.98Å; L160-I166 HydrophobicContact CB-CB 4.18Å; L160-I166 HydrophobicContact CB-CD1 3.64Å; L160-I166 HydrophobicContact CB-CG1 3.62Å; L160-I166 HydrophobicContact CD1-CD1 3.87Å; L160-I166 HydrophobicContact CD1-CG1 4.19Å; L160-I166 HydrophobicContact CG-CD1 4.38Å; L160-I166 PolarHBondContact O-N 3.19Å; L160-I166 VanDerWaalsContact O-N 3.09Å; L160-F477 HydrophobicContact CD1-CE2 4.47Å; L160-M522 HydrophobicContact CD1-CE 3.98Å; L160-M522 HydrophobicContact CD1-SD 4.07Å; L160-H525 WeakPolarHBondContact CD2-NE2 3.45Å; L160-F526 HydrophobicContact CD1-CE2 4.3Å; L160-F526 HydrophobicContact CD1-CZ 4.15Å; L160-F526 HydrophobicContact CD2-CE2 4.36Å; L160-F526 HydrophobicContact CD2-CZ 3.95Å; L160-F526 HydrophobicContact CG-CE2 4.3Å; L160-F526 HydrophobicContact CG-CZ 3.73Å |
| 161 | Y | 98.3 | Very high | 97.1 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 174.6 | 178.4 | -99.4 | 0 | 0 | 0 | 111.8 | F157 V158 R159 E163 D164 I166 W382 V447 | F157-Y161 WeakPolarHBondContact O-CB 3.48Å; F157-Y161 PolarHBondContact O-N 3.21Å; V158-Y161 PolarHBondContact O-N 2.84Å; R159-Y161 PolarHBondContact O-N 3.3Å; Y161-E163 PolarHBondContact O-N 3.31Å; Y161-D164 PolarHBondContact O-N 2.78Å; Y161-I166 HydrophobicContact CD2-CG2 4.36Å; Y161-I166 WeakPolarHBondContact CD2-O 3.34Å; Y161-W382 AromaticContact CD2-CZ3 3.99Å; Y161-W382 HydrophobicContact CD2-CZ3 3.99Å; Y161-W382 HydrophobicContact CE2-CH2 4.37Å; Y161-W382 HydrophobicContact CE2-CZ3 4.09Å; Y161-V447 HydrophobicContact CD1-CB 3.51Å; Y161-V447 HydrophobicContact CD1-CG1 3.69Å; Y161-V447 HydrophobicContact CD1-CG2 3.82Å; Y161-V447 HydrophobicContact CD2-CB 4.48Å; Y161-V447 HydrophobicContact CD2-CG2 3.91Å; Y161-V447 HydrophobicContact CE1-CB 3.62Å; Y161-V447 HydrophobicContact CE1-CG1 4.33Å; Y161-V447 HydrophobicContact CE1-CG2 3.75Å; Y161-V447 HydrophobicContact CE2-CG2 3.82Å; Y161-V447 HydrophobicContact CG-CB 3.96Å; Y161-V447 HydrophobicContact CG-CG1 3.84Å; Y161-V447 HydrophobicContact CG-CG2 3.89Å |
| 162 | K | 97.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 40.9 Ų | 40.9 | 48% | 0.483 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.9 | -22.1 | 176.6 | -73.8 | 179.4 | 174.5 | 180 | 0 | 112.6 | V158 R159 E453 E457 | V158-K162 HydrophobicContact CG1-CD 3.96Å; V158-K162 HydrophobicContact CG1-CG 4.47Å; V158-K162 WeakPolarHBondContact O-CB 3.37Å; V158-K162 WeakPolarHBondContact O-CG 3.34Å; V158-K162 PolarHBondContact O-N 2.99Å; R159-K162 PolarHBondContact O-N 3.46Å; R159-K162 VanDerWaalsContact O-N 3.15Å; K162-E453 IonicContact NZ-OE1 3.13Å; K162-E457 VanDerWaalsContact NZ-CD 3.29Å; K162-E457 IonicContact NZ-OE1 3.39Å; K162-E457 PolarHBondContact NZ-OE1 3.16Å; K162-E457 IonicContact NZ-OE2 2.77Å; K162-E457 PolarHBondContact NZ-OE2 3.18Å |
| 163 | E | 97.9 | Very high | 96.6 | Very high | 92 Ų | 92 | 41.3 Ų | 41.3 | 43% | 0.43 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 5.4 | 175.9 | -67.7 | 165.3 | -176.5 | 0 | 0 | 113.9 | R159 L160 Y161 L165 H525 | R159-E163 WeakPolarHBondContact O-CB 3.46Å; R159-E163 VanDerWaalsContact O-CG 3.25Å; R159-E163 WeakPolarHBondContact O-CG 3.48Å; R159-E163 PolarHBondContact O-N 2.99Å; L160-E163 CarbonylContact O-C 3.48Å; L160-E163 PolarHBondContact O-N 3.23Å; Y161-E163 PolarHBondContact O-N 3.31Å; E163-L165 HydrophobicContact CB-CD1 4.21Å; E163-L165 HydrophobicContact CB-CG 4.19Å; E163-L165 PolarHBondContact O-N 2.62Å; E163-H525 IonicContact OE1-NE2 2.73Å; E163-H525 IonicContact OE2-CD2 3.73Å; E163-H525 IonicContact OE2-CE1 3.96Å; E163-H525 PolarHBondContact OE2-CE1 2.84Å; E163-H525 VanDerWaalsContact OE2-CE1 3.26Å; E163-H525 IonicContact OE2-NE2 2.89Å; E163-H525 PolarHBondContact OE2-NE2 2.81Å |
| 164 | D | 97.7 | Very high | 96.4 | Very high | 100 Ų | 100 | 41.9 Ų | 41.9 | 54% | 0.535 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 25.9 | -173.3 | -172.6 | 37 | 0 | 0 | 0 | 113.6 | L160 Y161 R385 | L160-D164 PolarHBondContact O-N 2.68Å; Y161-D164 PolarHBondContact O-N 2.78Å; D164-R385 VanDerWaalsContact O-CD 3.29Å; D164-R385 WeakPolarHBondContact O-CD 3.39Å; D164-R385 PolarHBondContact O-NE 2.9Å; D164-R385 IonicContact OD1-NH2 3.44Å; D164-R385 PolarHBondContact OD1-NH2 3.2Å; D164-R385 IonicContact OD2-NH2 2.72Å |
| 165 | L | 98.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -95.5 | -19.9 | 173.6 | -65.7 | 176.9 | 0 | 0 | 0 | 112.5 | L160 E163 V384 R385 V388 L389 H525 | L160-L165 HydrophobicContact CB-CB 4.11Å; L160-L165 HydrophobicContact CD2-CB 3.92Å; L160-L165 HydrophobicContact CD2-CD1 3.74Å; L160-L165 WeakPolarHBondContact O-CA 3.5Å; L160-L165 PolarHBondContact O-N 2.98Å; E163-L165 HydrophobicContact CB-CD1 4.21Å; E163-L165 HydrophobicContact CB-CG 4.19Å; E163-L165 PolarHBondContact O-N 2.62Å; L165-V384 CarbonylContact O-C 3.54Å; L165-V384 WeakPolarHBondContact O-CA 3.42Å; L165-R385 HydrophobicContact CD2-CB 4.15Å; L165-R385 PolarHBondContact O-N 2.67Å; L165-V388 HydrophobicContact CD2-CB 3.92Å; L165-V388 HydrophobicContact CD2-CG1 3.97Å; L165-V388 HydrophobicContact CD2-CG2 4.08Å; L165-L389 HydrophobicContact CD1-CD2 4.09Å; L165-H525 VanDerWaalsContact CD1-CE1 3.46Å; L165-H525 WeakPolarHBondContact CD1-CE1 3.4Å |
| 166 | I | 98.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.7 | 165.4 | -77.2 | 175.7 | 0 | 0 | 0 | 109.5 | F157 L160 Y161 W382 Y383 V384 I425 F477 | F157-I166 HydrophobicContact CB-CD1 4.46Å; F157-I166 HydrophobicContact CD2-CD1 3.66Å; F157-I166 HydrophobicContact CE1-CG2 4.31Å; F157-I166 HydrophobicContact CE2-CD1 3.99Å; F157-I166 HydrophobicContact CE2-CG2 3.97Å; F157-I166 HydrophobicContact CG-CD1 4.03Å; F157-I166 HydrophobicContact CZ-CG2 3.82Å; L160-I166 HydrophobicContact CB-CB 4.18Å; L160-I166 HydrophobicContact CB-CD1 3.64Å; L160-I166 HydrophobicContact CB-CG1 3.62Å; L160-I166 HydrophobicContact CD1-CD1 3.87Å; L160-I166 HydrophobicContact CD1-CG1 4.19Å; L160-I166 HydrophobicContact CG-CD1 4.38Å; L160-I166 PolarHBondContact O-N 3.19Å; L160-I166 VanDerWaalsContact O-N 3.09Å; Y161-I166 HydrophobicContact CD2-CG2 4.36Å; Y161-I166 WeakPolarHBondContact CD2-O 3.34Å; I166-W382 HydrophobicContact CG2-CE3 3.52Å; I166-W382 HydrophobicContact CG2-CZ3 3.83Å; I166-Y383 VanDerWaalsContact CA-O 3.29Å; I166-Y383 WeakPolarHBondContact CA-O 3.39Å; I166-V384 HydrophobicContact CD1-CG2 4.13Å; I166-V384 HydrophobicContact CG1-CG2 3.73Å; I166-I425 HydrophobicContact CD1-CD1 3.8Å; I166-I425 HydrophobicContact CG1-CD1 4.14Å; I166-I425 HydrophobicContact CG2-CD1 4.44Å; I166-F477 HydrophobicContact CD1-CE2 4.09Å; I166-F477 HydrophobicContact CD1-CZ 4.01Å |
| 167 | Y | 95.5 | Very high | 95.9 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 11% | 0.114 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 161.2 | 174.5 | 67.2 | -84 | 0 | 0 | 0 | 110.7 | R171 W382 Y383 R385 D422 | Y167-R171 PolarHBondContact OH-NH1 3.05Å; Y167-R171 PolarHBondContact OH-NH2 3.27Å; Y167-W382 WeakPolarHBondContact O-CA 3.49Å; Y167-Y383 HydrophobicContact CE2-CD2 4.03Å; Y167-Y383 HydrophobicContact CE2-CG 4.28Å; Y167-Y383 VanDerWaalsContact CZ-CB 3.47Å; Y167-Y383 PolarHBondContact N-O 3.44Å; Y167-Y383 VanDerWaalsContact N-O 3.1Å; Y167-Y383 PolarHBondContact O-N 2.89Å; Y167-Y383 WeakPolarHBondContact OH-CB 3.49Å; Y167-R385 HydrophobicContact CD1-CG 3.91Å; Y167-R385 HydrophobicContact CE1-CG 3.65Å; Y167-D422 PolarHBondContact OH-OD2 3.27Å |
| 168 | R | 94.4 | Very high | 95.5 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 36% | 0.362 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138 | 173.2 | -164.6 | -179 | -175.3 | -154 | 7.9 | 109.6 | Q381 W382 Y439 | R168-Q381 CarbonylContact C-O 3.5Å; R168-Q381 WeakPolarHBondContact CA-O 3.39Å; R168-W382 HydrophobicContact CB-CD2 3.97Å; R168-W382 HydrophobicContact CB-CE3 4Å; R168-W382 HydrophobicContact CB-CH2 4.3Å; R168-W382 HydrophobicContact CB-CZ2 4.25Å; R168-W382 HydrophobicContact CB-CZ3 4.18Å; R168-W382 HydrophobicContact CG-CD2 4.18Å; R168-W382 HydrophobicContact CG-CG 4.42Å; R168-W382 HydrophobicContact CG-CZ2 4.48Å; R168-Y439 PolarHBondContact NE-OH 3.33Å; R168-Y439 PolarHBondContact NH1-OH 2.84Å; R168-Y439 VanDerWaalsContact NH1-OH 3.16Å; R168-Y439 PolarHBondContact NH2-OH 3.49Å |
| 169 | G | 92 | Very high | 95 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 154.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q381 | G169-Q381 PolarHBondContact N-O 2.92Å; G169-Q381 PolarHBondContact O-N 3.21Å |
| 170 | K | 92.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 110.3 | 174.6 | -165.6 | 178.8 | -57.7 | -57.6 | 0 | 109.9 | F314 G318 L378 T379 D380 | K170-F314 HydrophobicContact CD-CD1 3.76Å; K170-F314 HydrophobicContact CD-CD2 3.98Å; K170-F314 HydrophobicContact CD-CE1 3.74Å; K170-F314 HydrophobicContact CD-CE2 3.92Å; K170-F314 HydrophobicContact CD-CG 3.9Å; K170-F314 HydrophobicContact CD-CZ 3.8Å; K170-G318 WeakPolarHBondContact CE-O 3.26Å; K170-L378 HydrophobicContact CG-CB 4.41Å; K170-T379 WeakPolarHBondContact CA-O 3.41Å; K170-D380 WeakPolarHBondContact CB-OD1 3.33Å; K170-D380 IonicContact NZ-OD1 3.96Å; K170-D380 PolarHBondContact NZ-OD1 2.82Å; K170-D380 IonicContact NZ-OD2 3.6Å; K170-D380 PolarHBondContact NZ-OD2 3.11Å |
| 171 | R | 92.4 | Very high | 94.3 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164.7 | -179.3 | -59.7 | -173.5 | 173.9 | -173 | 0.6 | 110.9 | Y167 L378 T379 Y383 D422 | Y167-R171 PolarHBondContact OH-NH1 3.05Å; Y167-R171 PolarHBondContact OH-NH2 3.27Å; R171-L378 WeakPolarHBondContact O-CA 3.44Å; R171-T379 PolarHBondContact N-O 3.12Å; R171-T379 VanDerWaalsContact N-O 3.1Å; R171-T379 PolarHBondContact O-N 3.5Å; R171-Y383 HydrophobicContact CB-CE2 4.42Å; R171-Y383 HydrophobicContact CG-CE2 4.25Å; R171-D422 IonicContact CZ-OD2 3.1Å; R171-D422 IonicContact NH1-OD2 2.85Å; R171-D422 PolarHBondContact NH1-OD2 2.87Å; R171-D422 IonicContact NH2-OD2 3.87Å |
| 172 | L | 93.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.3 | 168.2 | -79.1 | -171 | 0 | 0 | 0 | 110.4 | A281 D283 F284 Y287 P376 M377 L378 | L172-A281 VanDerWaalsContact CD2-O 3.31Å; L172-A281 WeakPolarHBondContact CD2-O 3.17Å; L172-D283 VanDerWaalsContact CD1-O 3.29Å; L172-D283 WeakPolarHBondContact CD1-O 3.28Å; L172-F284 HydrophobicContact CB-CD1 3.81Å; L172-F284 HydrophobicContact CB-CE1 3.58Å; L172-F284 HydrophobicContact CB-CZ 4.41Å; L172-F284 HydrophobicContact CD1-CD1 4.04Å; L172-F284 HydrophobicContact CD1-CE1 4.48Å; L172-F284 HydrophobicContact CD1-CG 4.34Å; L172-Y287 HydrophobicContact CB-CD2 4.46Å; L172-Y287 HydrophobicContact CB-CG 4.49Å; L172-Y287 VanDerWaalsContact CD1-CB 3.44Å; L172-Y287 HydrophobicContact CD1-CD2 4.07Å; L172-Y287 HydrophobicContact CD1-CG 3.85Å; L172-Y287 HydrophobicContact CG-CD2 3.81Å; L172-Y287 HydrophobicContact CG-CE2 4.42Å; L172-Y287 HydrophobicContact CG-CG 4.02Å; L172-P376 HydrophobicContact CD1-CB 4.06Å; L172-P376 HydrophobicContact CD2-CB 4.12Å; L172-M377 WeakPolarHBondContact CA-O 3.35Å; L172-M377 VanDerWaalsContact CD2-C 3.47Å; L172-L378 HydrophobicContact CD2-CD2 3.96Å; L172-L378 HydrophobicContact CD2-CG 4.01Å; L172-L378 HydrophobicContact CG-CD2 4.12Å |
| 173 | V | 93.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 157.1 | 168.2 | -61.2 | 0 | 0 | 0 | 0 | 110 | W175 A182 P376 M377 T379 Q381 Y383 | V173-W175 HydrophobicContact CG2-CB 4.49Å; V173-W175 HydrophobicContact CG2-CE3 4.15Å; V173-W175 PolarHBondContact O-N 3.17Å; V173-W175 VanDerWaalsContact O-N 3.17Å; V173-A182 HydrophobicContact CB-CB 4.1Å; V173-A182 HydrophobicContact CG1-CB 4.43Å; V173-A182 HydrophobicContact CG2-CB 3.85Å; V173-P376 WeakPolarHBondContact O-CA 3.17Å; V173-M377 PolarHBondContact N-O 3.46Å; V173-M377 PolarHBondContact O-N 3.15Å; V173-T379 HydrophobicContact CG2-CG2 4.03Å; V173-T379 WeakPolarHBondContact CG2-OG1 3.44Å; V173-Q381 HydrophobicContact CG1-CG 3.87Å; V173-Y383 WeakPolarHBondContact CG1-OH 3.48Å |
| 174 | N | 94 | Very high | 92.6 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 109.5 | 164 | -80.7 | -55.7 | 0 | 0 | 0 | 107.8 | A182 I183 D185 V188 F284 I374 | N174-A182 CarbonylContact O-C 3.53Å; N174-A182 WeakPolarHBondContact O-CA 3.47Å; N174-I183 HydrophobicContact CB-CD1 4.45Å; N174-I183 HydrophobicContact CB-CG1 3.72Å; N174-I183 WeakPolarHBondContact O-CG1 3.21Å; N174-I183 PolarHBondContact O-N 3.07Å; N174-D185 PolarHBondContact ND2-OD1 3.44Å; N174-V188 HydrophobicContact CB-CG2 4.01Å; N174-F284 WeakPolarHBondContact OD1-CE2 3.44Å; N174-I374 HydrophobicContact CB-CG2 3.68Å; N174-I374 WeakPolarHBondContact OD1-CG2 3.38Å |
| 175 | W | 95.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.5 | -175.6 | -174.4 | -99.2 | 0 | 0 | 0 | 111.4 | V173 P177 R180 T181 F303 I374 E375 M377 T379 Q428 | V173-W175 HydrophobicContact CG2-CB 4.49Å; V173-W175 HydrophobicContact CG2-CE3 4.15Å; V173-W175 PolarHBondContact O-N 3.17Å; V173-W175 VanDerWaalsContact O-N 3.17Å; W175-P177 WeakPolarHBondContact O-CD 3.48Å; W175-R180 VanDerWaalsContact CH2-O 3.27Å; W175-R180 WeakPolarHBondContact CH2-O 3.36Å; W175-R180 VanDerWaalsContact CZ2-CA 3.47Å; W175-R180 HydrophobicContact CZ2-CB 3.95Å; W175-R180 WeakPolarHBondContact CZ2-O 3.37Å; W175-T181 VanDerWaalsContact CE3-C 3.43Å; W175-F303 AromaticContact CE2-CD1 3.92Å; W175-F303 HydrophobicContact CH2-CD1 4.21Å; W175-F303 HydrophobicContact CH2-CG 4.42Å; W175-F303 HydrophobicContact CZ2-CB 3.75Å; W175-F303 AromaticContact CZ2-CD1 3.7Å; W175-F303 HydrophobicContact CZ2-CD1 3.7Å; W175-F303 HydrophobicContact CZ2-CE1 4.48Å; W175-F303 AromaticContact CZ2-CG 3.76Å; W175-F303 HydrophobicContact CZ2-CG 3.76Å; W175-F303 PolarHBondContact NE1-O 3.14Å; W175-I374 WeakPolarHBondContact O-CA 3.39Å; W175-E375 WeakPolarHBondContact CA-O 3.3Å; W175-E375 WeakPolarHBondContact CB-O 3.11Å; W175-E375 PolarHBondContact N-O 3.04Å; W175-E375 PolarHBondContact O-N 2.81Å; W175-M377 HydrophobicContact CB-CB 3.48Å; W175-M377 VanDerWaalsContact CB-CB 3.48Å; W175-M377 HydrophobicContact CB-CG 4.35Å; W175-M377 HydrophobicContact CD2-CB 4.41Å; W175-M377 HydrophobicContact CD2-CG 4.41Å; W175-M377 HydrophobicContact CG-CB 3.83Å; W175-M377 HydrophobicContact CG-CG 4.18Å; W175-T379 HydrophobicContact CE3-CG2 3.78Å; W175-T379 HydrophobicContact CZ3-CG2 3.84Å; W175-Q428 HydrophobicContact CH2-CG 4.11Å; W175-Q428 HydrophobicContact CZ3-CG 4.35Å |
| 176 | D | 94.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 105.7 | 169 | -172 | -43.3 | 0 | 0 | 0 | 109 | K178 L179 R180 T181 I183 G370 V372 I374 | D176-K178 PolarHBondContact O-N 2.87Å; D176-K178 WeakPolarHBondContact OD1-CA 3.29Å; D176-K178 WeakPolarHBondContact OD1-CB 3.47Å; D176-K178 PolarHBondContact OD1-N 3.24Å; D176-L179 HydrophobicContact CB-CB 4.12Å; D176-L179 PolarHBondContact O-N 2.99Å; D176-L179 PolarHBondContact OD1-N 2.62Å; D176-R180 VanDerWaalsContact O-CA 3.25Å; D176-R180 WeakPolarHBondContact O-CA 3.46Å; D176-R180 PolarHBondContact O-N 3.01Å; D176-T181 PolarHBondContact N-O 2.88Å; D176-T181 PolarHBondContact O-N 3.29Å; D176-I183 HydrophobicContact CB-CG2 4.18Å; D176-G370 VanDerWaalsContact OD2-CA 3.32Å; D176-G370 WeakPolarHBondContact OD2-CA 3.37Å; D176-V372 WeakPolarHBondContact OD1-CG2 3.26Å; D176-I374 HydrophobicContact CB-CD1 3.91Å |
| 177 | P | 94.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20.9 | -177.2 | 25.9 | -34.1 | 0 | 0 | 0 | 113.5 | W175 F303 D304 V372 E375 | W175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-F303 WeakPolarHBondContact CA-O 3.45Å; P177-D304 WeakPolarHBondContact CB-O 3.32Å; P177-V372 HydrophobicContact CG-CG2 4.2Å; P177-E375 HydrophobicContact CG-CG 4.48Å |
| 178 | K | 90.6 | Very high | 88.7 | Confident | 140 Ų | 140 | 38.2 Ų | 38.2 | 61% | 0.609 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -42.4 | 179.4 | 175.9 | -178.3 | 171.1 | -172 | 0 | 111.2 | D176 G370 V372 | D176-K178 PolarHBondContact O-N 2.87Å; D176-K178 WeakPolarHBondContact OD1-CA 3.29Å; D176-K178 WeakPolarHBondContact OD1-CB 3.47Å; D176-K178 PolarHBondContact OD1-N 3.24Å; K178-G370 PolarHBondContact NZ-O 3.23Å; K178-G370 VanDerWaalsContact NZ-O 3.08Å; K178-V372 HydrophobicContact CB-CG1 4.07Å; K178-V372 HydrophobicContact CB-CG2 3.86Å; K178-V372 HydrophobicContact CD-CG1 3.72Å |
| 179 | L | 86.6 | Confident | 88.2 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -14 | 177.7 | -58.8 | -178.8 | 0 | 0 | 0 | 112.5 | I84 M88 D176 T181 R369 | I84-L179 HydrophobicContact CD1-CD1 3.76Å; I84-L179 HydrophobicContact CG1-CD1 4.49Å; M88-L179 HydrophobicContact SD-CD1 4.02Å; D176-L179 HydrophobicContact CB-CB 4.12Å; D176-L179 PolarHBondContact O-N 2.99Å; D176-L179 PolarHBondContact OD1-N 2.62Å; L179-T181 HydrophobicContact CB-CG2 3.96Å; L179-R369 HydrophobicContact CD1-CB 4.22Å |
| 180 | R | 90.9 | Very high | 88.1 | Confident | 123 Ų | 123 | 42.2 Ų | 42.2 | 46% | 0.464 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 50.7 | -176.1 | -64.3 | -174.2 | 177.3 | -177 | 1.2 | 112.6 | W175 D176 D304 Q428 | W175-R180 VanDerWaalsContact CH2-O 3.27Å; W175-R180 WeakPolarHBondContact CH2-O 3.36Å; W175-R180 VanDerWaalsContact CZ2-CA 3.47Å; W175-R180 HydrophobicContact CZ2-CB 3.95Å; W175-R180 WeakPolarHBondContact CZ2-O 3.37Å; D176-R180 VanDerWaalsContact O-CA 3.25Å; D176-R180 WeakPolarHBondContact O-CA 3.46Å; D176-R180 PolarHBondContact O-N 3.01Å; R180-D304 IonicContact CZ-OD1 2.63Å; R180-D304 IonicContact CZ-OD2 2.66Å; R180-D304 IonicContact NE-OD1 2.88Å; R180-D304 PolarHBondContact NE-OD1 2.84Å; R180-D304 IonicContact NE-OD2 2.89Å; R180-D304 IonicContact NH2-OD1 3.9Å; R180-D304 PolarHBondContact NH2-OD1 3.48Å; R180-D304 IonicContact NH2-OD2 3.18Å; R180-D304 PolarHBondContact NH2-OD2 2.92Å; R180-Q428 VanDerWaalsContact O-CB 3.28Å; R180-Q428 WeakPolarHBondContact O-CB 3.45Å |
| 181 | T | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152.7 | 178 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | I84 W175 D176 L179 I183 Q428 L429 | I84-T181 HydrophobicContact CD1-CG2 3.79Å; W175-T181 VanDerWaalsContact CE3-C 3.43Å; D176-T181 PolarHBondContact N-O 2.88Å; D176-T181 PolarHBondContact O-N 3.29Å; L179-T181 HydrophobicContact CB-CG2 3.96Å; T181-I183 HydrophobicContact CG2-CG2 4.46Å; T181-Q428 PolarHBondContact OG1-N 3.33Å; T181-L429 HydrophobicContact CG2-CD2 4.41Å |
| 182 | A | 91.2 | Very high | 88.1 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 142.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V173 N174 R427 | V173-A182 HydrophobicContact CB-CB 4.1Å; V173-A182 HydrophobicContact CG1-CB 4.43Å; V173-A182 HydrophobicContact CG2-CB 3.85Å; N174-A182 CarbonylContact O-C 3.53Å; N174-A182 WeakPolarHBondContact O-CA 3.47Å; A182-R427 WeakPolarHBondContact O-CD 3.35Å |
| 183 | I | 87.4 | Confident | 88 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155.3 | 171.9 | 64.4 | 163.7 | 0 | 0 | 0 | 109.7 | N174 D176 T181 V188 I374 | N174-I183 HydrophobicContact CB-CD1 4.45Å; N174-I183 HydrophobicContact CB-CG1 3.72Å; N174-I183 WeakPolarHBondContact O-CG1 3.21Å; N174-I183 PolarHBondContact O-N 3.07Å; D176-I183 HydrophobicContact CB-CG2 4.18Å; T181-I183 HydrophobicContact CG2-CG2 4.46Å; I183-V188 HydrophobicContact CD1-CG2 3.81Å; I183-V188 HydrophobicContact CG1-CG2 4.36Å; I183-I374 HydrophobicContact CD1-CD1 3.33Å; I183-I374 HydrophobicContact CD1-CG1 3.7Å; I183-I374 HydrophobicContact CD1-CG2 4.36Å; I183-I374 HydrophobicContact CG1-CD1 4.19Å |
| 184 | S | 80.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 12% | 0.119 | 27% | 0.272 | C | S | . | . | trans | -73.8 | 148 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L186 E187 V188 | S184-L186 PolarHBondContact O-N 2.93Å; S184-E187 PolarHBondContact N-OE2 2.68Å; S184-E187 WeakPolarHBondContact O-CA 3.43Å; S184-E187 WeakPolarHBondContact O-CB 3.44Å; S184-E187 PolarHBondContact O-N 2.98Å; S184-V188 PolarHBondContact O-N 3.18Å | ||
| 185 | D | 79.1 | Confident | 87.8 | Confident | 108 Ų | 108 | 57.5 Ų | 57.5 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -51 | -30.7 | 174.8 | -58.7 | -7.2 | 0 | 0 | 0 | 113.7 | N174 V188 | N174-D185 PolarHBondContact ND2-OD1 3.44Å; D185-V188 WeakPolarHBondContact O-CB 3.36Å; D185-V188 PolarHBondContact O-N 3.2Å |
| 186 | L | 67.5 | Low | 87.8 | Confident | 77 Ų | 77 | 59 Ų | 59 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -85.9 | -11.8 | 179.3 | -66.3 | 167.9 | 0 | 0 | 0 | 113.7 | S184 V188 F513 F514 | S184-L186 PolarHBondContact O-N 2.93Å; L186-V188 VanDerWaalsContact C-N 3.25Å; L186-F513 HydrophobicContact CD1-CB 4.12Å; L186-F513 HydrophobicContact CD1-CD1 3.04Å; L186-F513 HydrophobicContact CD1-CE1 3.55Å; L186-F513 HydrophobicContact CD1-CG 3.82Å; L186-F513 HydrophobicContact CG-CD1 4.41Å; L186-F514 HydrophobicContact CB-CE1 3.41Å; L186-F514 VanDerWaalsContact CB-CE1 3.41Å; L186-F514 HydrophobicContact CB-CE2 3.79Å; L186-F514 HydrophobicContact CB-CZ 3Å; L186-F514 HydrophobicContact CD1-CD1 3.99Å; L186-F514 HydrophobicContact CD1-CD2 4.28Å; L186-F514 HydrophobicContact CD1-CE1 3.62Å; L186-F514 HydrophobicContact CD1-CE2 3.92Å; L186-F514 HydrophobicContact CD1-CG 4.35Å; L186-F514 HydrophobicContact CD1-CZ 3.65Å; L186-F514 HydrophobicContact CG-CE1 4.17Å; L186-F514 HydrophobicContact CG-CE2 4.48Å; L186-F514 HydrophobicContact CG-CZ 3.97Å |
| 187 | E | 76.1 | Confident | 87.8 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -86.9 | -0.5 | 168.6 | -62.8 | 176.3 | 140.5 | 0 | 0 | 111.4 | S184 D368 R369 F514 | S184-E187 PolarHBondContact N-OE2 2.68Å; S184-E187 WeakPolarHBondContact O-CA 3.43Å; S184-E187 WeakPolarHBondContact O-CB 3.44Å; S184-E187 PolarHBondContact O-N 2.98Å; E187-D368 WeakPolarHBondContact O-CB 3.19Å; E187-D368 PolarHBondContact O-N 3.41Å; E187-D368 VanDerWaalsContact O-N 3.17Å; E187-R369 VanDerWaalsContact CD-NH1 3.27Å; E187-R369 IonicContact OE1-CZ 3.16Å; E187-R369 IonicContact OE1-NH1 3.67Å; E187-R369 PolarHBondContact OE1-NH1 3.45Å; E187-R369 IonicContact OE1-NH2 2.84Å; E187-R369 PolarHBondContact OE1-NH2 3.34Å; E187-R369 IonicContact OE2-NH1 2.75Å; E187-F514 HydrophobicContact CG-CE1 4.48Å |
| 188 | V | 85.4 | Confident | 87.9 | Confident | 20 Ų | 20 | 62 Ų | 62 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.7 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | N174 I183 S184 D185 L186 P365 | N174-V188 HydrophobicContact CB-CG2 4.01Å; I183-V188 HydrophobicContact CD1-CG2 3.81Å; I183-V188 HydrophobicContact CG1-CG2 4.36Å; S184-V188 PolarHBondContact O-N 3.18Å; D185-V188 WeakPolarHBondContact O-CB 3.36Å; D185-V188 PolarHBondContact O-N 3.2Å; L186-V188 VanDerWaalsContact C-N 3.25Å; V188-P365 HydrophobicContact CG1-CB 3.27Å |
| 189 | E | 84.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 56 Ų | 56 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 112.4 | 169.2 | -67 | -174.7 | 172.1 | 0 | 0 | 110.5 | R191 Y366 D368 | E189-R191 PolarHBondContact O-N 2.9Å; E189-R191 IonicContact OE2-CZ 2.67Å; E189-R191 IonicContact OE2-NE 2.62Å; E189-R191 PolarHBondContact OE2-NE 3.02Å; E189-R191 IonicContact OE2-NH2 2.71Å; E189-R191 PolarHBondContact OE2-NH2 3.3Å; E189-Y366 PolarHBondContact N-O 3Å; E189-Y366 PolarHBondContact O-N 2.8Å; E189-D368 HydrophobicContact CG-CB 4.17Å |
| 190 | N | 90.1 | Very high | 88.8 | Confident | 113 Ų | 113 | 54.8 Ų | 54.8 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 117.3 | 172.2 | -76.8 | -45.3 | 0 | 0 | 0 | 110.5 | T363 | N190-T363 HydrophobicContact CB-CG2 3.58Å |
| 191 | R | 91.4 | Very high | 89.1 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.1 | -178.1 | -59.1 | -174.7 | -172.6 | 157.5 | 0.5 | 111.4 | E189 T363 V364 Y366 | E189-R191 PolarHBondContact O-N 2.9Å; E189-R191 IonicContact OE2-CZ 2.67Å; E189-R191 IonicContact OE2-NE 2.62Å; E189-R191 PolarHBondContact OE2-NE 3.02Å; E189-R191 IonicContact OE2-NH2 2.71Å; E189-R191 PolarHBondContact OE2-NH2 3.3Å; R191-T363 WeakPolarHBondContact O-CA 3.44Å; R191-V364 PolarHBondContact N-O 3.23Å; R191-V364 PolarHBondContact O-N 3.21Å; R191-Y366 HydrophobicContact CB-CD2 3.91Å; R191-Y366 HydrophobicContact CB-CE2 4.03Å; R191-Y366 HydrophobicContact CG-CD2 3.79Å; R191-Y366 HydrophobicContact CG-CE2 4.33Å |
| 192 | E | 92.6 | Very high | 89.4 | Confident | 144 Ų | 144 | 52.2 Ų | 52.2 | 67% | 0.673 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 133.8 | 170.3 | -66.8 | -58.3 | 131.4 | 0 | 0 | 110.9 | L362 T363 | E192-L362 CarbonylContact C-O 3.58Å; E192-L362 WeakPolarHBondContact CA-O 3.32Å; E192-T363 PolarHBondContact OE1-OG1 3.01Å |
| 193 | S | 91.1 | Very high | 89.7 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146.4 | -171 | 167.2 | 0 | 0 | 0 | 0 | 110 | L362 | S193-L362 PolarHBondContact N-O 3.22Å; S193-L362 PolarHBondContact O-N 2.7Å |
| 194 | K | 91.9 | Very high | 90.3 | Very high | 162 Ų | 162 | 54.4 Ų | 54.4 | 70% | 0.704 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 123.2 | 170.5 | -63.8 | -57.1 | -169.3 | -175.6 | 0 | 108.9 | D361 | K194-D361 WeakPolarHBondContact CD-OD1 3.37Å; K194-D361 WeakPolarHBondContact CE-OD1 3.27Å; K194-D361 IonicContact NZ-OD1 3.13Å; K194-D361 PolarHBondContact NZ-OD1 3Å; K194-D361 IonicContact NZ-OD2 2.7Å; K194-D361 PolarHBondContact NZ-OD2 3.42Å |
| 195 | G | 92.5 | Very high | 91 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | -157 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | H360 | G195-H360 CarbonylContact C-O 3.57Å; G195-H360 WeakPolarHBondContact CA-O 3.25Å; G195-H360 PolarHBondContact N-O 3.44Å; G195-H360 PolarHBondContact O-N 2.88Å |
| 196 | S | 95.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.8 | 179.4 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | W198 K358 | S196-W198 WeakPolarHBondContact O-CZ3 3.21Å; S196-K358 CarbonylContact C-O 3.45Å; S196-K358 VanDerWaalsContact CA-O 3.32Å; S196-K358 WeakPolarHBondContact CA-O 3.32Å |
| 197 | M | 94.5 | Very high | 93.1 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 20% | 0.197 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.9 | 171.6 | -168.1 | 66.2 | 153.5 | 0 | 0 | 108 | H199 A220 T222 K358 H360 | M197-H199 PolarHBondContact O-ND1 2.76Å; M197-A220 VanDerWaalsContact CE-C 3.42Å; M197-A220 HydrophobicContact CE-CB 3.52Å; M197-A220 WeakPolarHBondContact CE-O 3.48Å; M197-A220 HydrophobicContact CG-CB 3.94Å; M197-A220 HydrophobicContact SD-CB 4.27Å; M197-T222 HydrophobicContact CE-CG2 4.43Å; M197-T222 HydrophobicContact SD-CG2 3.41Å; M197-T222 WeakPolarHBondContact SD-CG2 3.43Å; M197-K358 PolarHBondContact N-O 3.34Å; M197-K358 PolarHBondContact O-N 3.47Å; M197-H360 HydrophobicContact CB-CB 3.93Å |
| 198 | W | 96.6 | Very high | 94 | Very high | 31 Ų | 31 | 54.2 Ų | 54.2 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.2 | 178.9 | -66.7 | -93.8 | 0 | 0 | 0 | 109.6 | S196 I200 A220 T221 T222 P224 V345 L354 | S196-W198 WeakPolarHBondContact O-CZ3 3.21Å; W198-I200 HydrophobicContact CB-CD1 4.37Å; W198-I200 HydrophobicContact CB-CG1 4.3Å; W198-A220 CarbonylContact O-C 3.59Å; W198-A220 WeakPolarHBondContact O-CA 3.34Å; W198-T221 HydrophobicContact CB-CG2 4.46Å; W198-T221 PolarHBondContact N-O 2.99Å; W198-T221 PolarHBondContact O-N 3.38Å; W198-T222 WeakPolarHBondContact CZ3-O 3.32Å; W198-P224 HydrophobicContact CD2-CG 3.91Å; W198-P224 HydrophobicContact CE3-CG 3.84Å; W198-P224 HydrophobicContact CG-CG 4.31Å; W198-P224 HydrophobicContact CZ3-CG 4.27Å; W198-V345 HydrophobicContact CD2-CG2 4.33Å; W198-V345 HydrophobicContact CG-CG2 4.18Å; W198-L354 HydrophobicContact CB-CD1 4.44Å |
| 199 | H | 97.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.06 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 112.3 | 176.5 | -65.4 | 63.5 | 0 | 0 | 0 | 108.2 | M197 V218 V219 E355 E356 | M197-H199 PolarHBondContact O-ND1 2.76Å; H199-V218 HydrophobicContact CB-CG1 3.79Å; H199-V219 CarbonylContact C-O 3.51Å; H199-V219 WeakPolarHBondContact CA-O 3.44Å; H199-E355 HydrophobicContact CB-CB 4.17Å; H199-E355 PolarHBondContact O-N 3.4Å; H199-E356 HydrophobicContact CB-CG 3.67Å; H199-E356 IonicContact CD2-OE1 3.04Å; H199-E356 IonicContact CE1-OE1 2.88Å; H199-E356 IonicContact CG-OE1 2.96Å; H199-E356 PolarHBondContact N-O 3.23Å; H199-E356 IonicContact ND1-OE1 3.54Å; H199-E356 IonicContact NE2-OE1 2.83Å |
| 200 | I | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.8 | -170.3 | -57.5 | 175.9 | 0 | 0 | 0 | 109.2 | W198 Y202 V218 V219 T221 P224 L227 V348 L354 | W198-I200 HydrophobicContact CB-CD1 4.37Å; W198-I200 HydrophobicContact CB-CG1 4.3Å; I200-Y202 HydrophobicContact CB-CD2 4.4Å; I200-Y202 HydrophobicContact CB-CE2 4.01Å; I200-Y202 HydrophobicContact CG2-CD2 3.98Å; I200-Y202 HydrophobicContact CG2-CE2 3.7Å; I200-V218 WeakPolarHBondContact O-CA 3.29Å; I200-V219 PolarHBondContact N-O 3.41Å; I200-V219 PolarHBondContact O-N 3.37Å; I200-T221 HydrophobicContact CD1-CG2 3.97Å; I200-P224 HydrophobicContact CD1-CB 4.02Å; I200-L227 HydrophobicContact CD1-CD1 4.1Å; I200-L227 HydrophobicContact CG2-CD1 4.25Å; I200-V348 HydrophobicContact CB-CG1 4.4Å; I200-V348 HydrophobicContact CD1-CG1 4.42Å; I200-V348 HydrophobicContact CG1-CG1 4.15Å; I200-V348 HydrophobicContact CG2-CG1 3.59Å; I200-V348 HydrophobicContact CG2-CG2 4.43Å; I200-L354 HydrophobicContact CG1-CD1 4.39Å |
| 201 | R | 98 | Very high | 95 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 26% | 0.26 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.5 | 176.4 | -61.8 | -178.9 | -178.9 | 149.4 | 1.3 | 110.4 | P203 Y216 L217 V218 L353 E355 | R201-P203 WeakPolarHBondContact O-CD 3.49Å; R201-Y216 HydrophobicContact CB-CD2 3.82Å; R201-Y216 HydrophobicContact CB-CE2 4.42Å; R201-Y216 HydrophobicContact CB-CG 4.05Å; R201-Y216 HydrophobicContact CG-CD2 3.53Å; R201-Y216 HydrophobicContact CG-CE2 3.64Å; R201-Y216 HydrophobicContact CG-CG 4.13Å; R201-L217 CarbonylContact C-O 3.25Å; R201-L217 WeakPolarHBondContact CA-O 3.29Å; R201-V218 HydrophobicContact CG-CG2 4.49Å; R201-L353 HydrophobicContact CB-CB 4.4Å; R201-L353 HydrophobicContact CB-CD2 4.04Å; R201-L353 PolarHBondContact N-O 3.49Å; R201-E355 HydrophobicContact CG-CB 4.39Å; R201-E355 IonicContact CZ-OE2 3.93Å; R201-E355 IonicContact NE-OE2 2.77Å; R201-E355 PolarHBondContact NE-OE2 3.19Å; R201-E355 IonicContact NH2-OE2 3.54Å; R201-E355 PolarHBondContact NH2-OE2 3.38Å |
| 202 | Y | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 105.7 | 173.7 | -78.4 | -135.1 | 0 | 0 | 0 | 107 | I200 L204 Y216 L217 V219 L227 D230 V233 V250 L252 P253 I259 | I200-Y202 HydrophobicContact CB-CD2 4.4Å; I200-Y202 HydrophobicContact CB-CE2 4.01Å; I200-Y202 HydrophobicContact CG2-CD2 3.98Å; I200-Y202 HydrophobicContact CG2-CE2 3.7Å; Y202-L204 PolarHBondContact O-N 3.34Å; Y202-Y216 CarbonylContact O-C 3.53Å; Y202-Y216 VanDerWaalsContact O-CA 3.26Å; Y202-Y216 WeakPolarHBondContact O-CA 3.33Å; Y202-Y216 WeakPolarHBondContact O-CB 3.43Å; Y202-L217 PolarHBondContact N-O 2.89Å; Y202-L217 PolarHBondContact O-N 2.89Å; Y202-V219 HydrophobicContact CD1-CG2 4.34Å; Y202-V219 HydrophobicContact CD2-CB 4.1Å; Y202-V219 HydrophobicContact CD2-CG2 3.93Å; Y202-V219 HydrophobicContact CE1-CG2 4.46Å; Y202-V219 HydrophobicContact CE2-CB 3.94Å; Y202-V219 HydrophobicContact CE2-CG2 4.1Å; Y202-V219 HydrophobicContact CG-CG2 4.08Å; Y202-L227 HydrophobicContact CE2-CD1 3.97Å; Y202-L227 VanDerWaalsContact OH-CD1 3.31Å; Y202-L227 WeakPolarHBondContact OH-CD1 3.32Å; Y202-L227 WeakPolarHBondContact OH-CG 3.19Å; Y202-D230 WeakPolarHBondContact CE1-OD2 3.43Å; Y202-D230 PolarHBondContact OH-OD2 3.05Å; Y202-V233 HydrophobicContact CD1-CG2 3.95Å; Y202-V233 HydrophobicContact CE1-CG2 4.37Å; Y202-V250 HydrophobicContact CD1-CG2 4.14Å; Y202-L252 HydrophobicContact CD1-CD1 4.03Å; Y202-L252 HydrophobicContact CE1-CD1 3.33Å; Y202-P253 HydrophobicContact CD2-CG 4.32Å; Y202-I259 HydrophobicContact CE1-CD1 4.48Å |
| 203 | P | 98 | Very high | 95.2 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 133.8 | -178.3 | -25.8 | 34.3 | 0 | 0 | 0 | 112.5 | R201 D215 V250 I251 L353 | R201-P203 WeakPolarHBondContact O-CD 3.49Å; P203-D215 CarbonylContact C-O 3.55Å; P203-D215 WeakPolarHBondContact CA-O 3.39Å; P203-V250 CarbonylContact O-C 3.37Å; P203-V250 WeakPolarHBondContact O-CA 3.43Å; P203-V250 VanDerWaalsContact O-CB 3.28Å; P203-V250 WeakPolarHBondContact O-CB 3.4Å; P203-I251 WeakPolarHBondContact CD-O 3.39Å; P203-I251 PolarHBondContact O-N 3.43Å; P203-L353 HydrophobicContact CG-CD2 4.18Å |
| 204 | L | 98.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 134.9 | 172.4 | -75.6 | 167.4 | 0 | 0 | 0 | 110.1 | Y202 A208 T210 D215 L217 L245 V250 I261 | Y202-L204 PolarHBondContact O-N 3.34Å; L204-A208 HydrophobicContact CB-CB 4.18Å; L204-A208 VanDerWaalsContact CB-O 3.32Å; L204-A208 WeakPolarHBondContact CB-O 3.39Å; L204-A208 WeakPolarHBondContact CD1-O 3.2Å; L204-A208 HydrophobicContact CD2-CB 4.46Å; L204-T210 HydrophobicContact CD1-CG2 4.07Å; L204-D215 WeakPolarHBondContact CB-O 3.15Å; L204-D215 PolarHBondContact N-O 2.75Å; L204-L217 HydrophobicContact CD2-CG 4.3Å; L204-L245 HydrophobicContact CD1-CD1 4.27Å; L204-L245 HydrophobicContact CD1-CD2 4.35Å; L204-L245 HydrophobicContact CD2-CD1 4.17Å; L204-L245 HydrophobicContact CD2-CD2 4.25Å; L204-V250 HydrophobicContact CD2-CG1 3.96Å; L204-I261 HydrophobicContact CD2-CD1 3.59Å |
| 205 | A | 96.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -78.8 | 165.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G207 A208 Y249 I251 | A205-G207 PolarHBondContact O-N 3.07Å; A205-A208 WeakPolarHBondContact O-CB 3.4Å; A205-A208 PolarHBondContact O-N 3.46Å; A205-Y249 WeakPolarHBondContact CB-O 3.42Å; A205-Y249 PolarHBondContact N-O 2.9Å; A205-I251 HydrophobicContact CB-CD1 3.85Å; A205-I251 HydrophobicContact CB-CG1 4.14Å |
| 206 | D | 95.9 | Very high | 95.8 | Very high | 127 Ų | 127 | 47.3 Ų | 47.3 | 68% | 0.679 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 24.8 | 172.3 | -48.1 | -35.4 | 0 | 0 | 0 | 115.2 | A208 R258 | D206-A208 PolarHBondContact O-N 2.85Å; D206-R258 IonicContact OD1-CZ 2.76Å; D206-R258 IonicContact OD1-NH1 2.88Å; D206-R258 PolarHBondContact OD1-NH1 3.32Å; D206-R258 IonicContact OD1-NH2 3.57Å; D206-R258 IonicContact OD2-CZ 3.22Å; D206-R258 VanDerWaalsContact OD2-CZ 3.27Å; D206-R258 IonicContact OD2-NH1 3.82Å; D206-R258 PolarHBondContact OD2-NH1 3.06Å; D206-R258 VanDerWaalsContact OD2-NH1 3.1Å; D206-R258 IonicContact OD2-NH2 3.51Å; D206-R258 PolarHBondContact OD2-NH2 2.88Å |
| 207 | G | 93.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 65% | 0.649 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 15.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A205 | A205-G207 PolarHBondContact O-N 3.07Š|
| 208 | A | 95.4 | Very high | 96 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | trans | -59.6 | 148.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L204 A205 D206 L245 K248 | L204-A208 HydrophobicContact CB-CB 4.18Å; L204-A208 VanDerWaalsContact CB-O 3.32Å; L204-A208 WeakPolarHBondContact CB-O 3.39Å; L204-A208 WeakPolarHBondContact CD1-O 3.2Å; L204-A208 HydrophobicContact CD2-CB 4.46Å; A205-A208 WeakPolarHBondContact O-CB 3.4Å; A205-A208 PolarHBondContact O-N 3.46Å; D206-A208 PolarHBondContact O-N 2.85Å; A208-L245 HydrophobicContact CB-CD2 4.44Å; A208-K248 HydrophobicContact CB-CD 3.84Å | ||
| 209 | K | 96.1 | Very high | 95.9 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | trans | -130.9 | 145.2 | 179.6 | -61.1 | -67.4 | -170.8 | 163.7 | 0 | 110.4 | K214 D215 L245 | K209-K214 CarbonylContact C-O 3.58Å; K209-K214 WeakPolarHBondContact CA-O 3.42Å; K209-K214 WeakPolarHBondContact CD-O 3.16Å; K209-D215 HydrophobicContact CD-CB 3.79Å; K209-D215 VanDerWaalsContact NZ-CB 3.29Å; K209-D215 VanDerWaalsContact NZ-CG 3.29Å; K209-D215 IonicContact NZ-OD2 3.25Å; K209-D215 PolarHBondContact NZ-OD2 3.42Å; K209-L245 WeakPolarHBondContact O-CD2 3.5Å | ||
| 210 | T | 94.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | trans | -63.5 | 168.7 | 167.7 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | L204 D212 G213 K214 L217 Y242 L245 | L204-T210 HydrophobicContact CD1-CG2 4.07Å; T210-D212 VanDerWaalsContact CB-OD1 3.27Å; T210-D212 WeakPolarHBondContact CB-OD1 3.45Å; T210-D212 PolarHBondContact O-N 2.9Å; T210-D212 VanDerWaalsContact O-N 3.16Å; T210-D212 PolarHBondContact OG1-OD1 3.5Å; T210-G213 PolarHBondContact O-N 3.36Å; T210-G213 PolarHBondContact OG1-N 2.92Å; T210-K214 HydrophobicContact CG2-CB 4.24Å; T210-K214 PolarHBondContact N-O 3.5Å; T210-K214 WeakPolarHBondContact OG1-CA 3.5Å; T210-K214 WeakPolarHBondContact OG1-CB 3.48Å; T210-K214 PolarHBondContact OG1-N 3.25Å; T210-K214 PolarHBondContact OG1-O 2.7Å; T210-L217 HydrophobicContact CG2-CD2 3.87Å; T210-Y242 HydrophobicContact CG2-CD1 4.4Å; T210-Y242 HydrophobicContact CG2-CE1 4.31Å; T210-L245 HydrophobicContact CG2-CD1 4.06Å | ||
| 211 | A | 91.2 | Very high | 95.6 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 66% | 0.661 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R241 | A211-R241 PolarHBondContact N-O 3.42Š|
| 212 | D | 92.7 | Very high | 95.4 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 8.8 | 176 | 68 | -25.9 | 0 | 0 | 0 | 114 | T210 K214 | T210-D212 VanDerWaalsContact CB-OD1 3.27Å; T210-D212 WeakPolarHBondContact CB-OD1 3.45Å; T210-D212 PolarHBondContact O-N 2.9Å; T210-D212 VanDerWaalsContact O-N 3.16Å; T210-D212 PolarHBondContact OG1-OD1 3.5Å; D212-K214 WeakPolarHBondContact OD2-CD 3.49Å; D212-K214 WeakPolarHBondContact OD2-CE 3.31Å; D212-K214 IonicContact OD2-NZ 2.77Å; D212-K214 PolarHBondContact OD2-NZ 2.82Å |
| 213 | G | 93.9 | Very high | 95.2 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 85.7 | 12.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T210 | T210-G213 PolarHBondContact O-N 3.36Å; T210-G213 PolarHBondContact OG1-N 2.92Å |
| 214 | K | 95.8 | Very high | 95.2 | Very high | 78 Ų | 78 | 41.6 Ų | 41.6 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | trans | -79 | 144.9 | 173.9 | -61.1 | 170.5 | 175.9 | 145.1 | 0 | 110.7 | K209 T210 D212 Y216 | K209-K214 CarbonylContact C-O 3.58Å; K209-K214 WeakPolarHBondContact CA-O 3.42Å; K209-K214 WeakPolarHBondContact CD-O 3.16Å; T210-K214 HydrophobicContact CG2-CB 4.24Å; T210-K214 PolarHBondContact N-O 3.5Å; T210-K214 WeakPolarHBondContact OG1-CA 3.5Å; T210-K214 WeakPolarHBondContact OG1-CB 3.48Å; T210-K214 PolarHBondContact OG1-N 3.25Å; T210-K214 PolarHBondContact OG1-O 2.7Å; D212-K214 WeakPolarHBondContact OD2-CD 3.49Å; D212-K214 WeakPolarHBondContact OD2-CE 3.31Å; D212-K214 IonicContact OD2-NZ 2.77Å; D212-K214 PolarHBondContact OD2-NZ 2.82Å; K214-Y216 VanDerWaalsContact C-N 3.32Å; K214-Y216 HydrophobicContact CB-CD1 4.35Å; K214-Y216 HydrophobicContact CB-CE1 4.21Å; K214-Y216 HydrophobicContact CD-CE2 4.19Å; K214-Y216 HydrophobicContact CG-CE1 4.41Å | ||
| 215 | D | 96.6 | Very high | 95.1 | Very high | 79 Ų | 79 | 40.9 Ų | 40.9 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -94.8 | 26.1 | 172.2 | 41.1 | 23.3 | 0 | 0 | 0 | 113 | P203 L204 K209 | P203-D215 CarbonylContact C-O 3.55Å; P203-D215 WeakPolarHBondContact CA-O 3.39Å; L204-D215 WeakPolarHBondContact CB-O 3.15Å; L204-D215 PolarHBondContact N-O 2.75Å; K209-D215 HydrophobicContact CD-CB 3.79Å; K209-D215 VanDerWaalsContact NZ-CB 3.29Å; K209-D215 VanDerWaalsContact NZ-CG 3.29Å; K209-D215 IonicContact NZ-OD2 3.25Å; K209-D215 PolarHBondContact NZ-OD2 3.42Å |
| 216 | Y | 97 | Very high | 95.1 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 17% | 0.169 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155.9 | 176.5 | 60.1 | -93.6 | 0 | 0 | 0 | 110.9 | R201 Y202 K214 V218 | R201-Y216 HydrophobicContact CB-CD2 3.82Å; R201-Y216 HydrophobicContact CB-CE2 4.42Å; R201-Y216 HydrophobicContact CB-CG 4.05Å; R201-Y216 HydrophobicContact CG-CD2 3.53Å; R201-Y216 HydrophobicContact CG-CE2 3.64Å; R201-Y216 HydrophobicContact CG-CG 4.13Å; Y202-Y216 CarbonylContact O-C 3.53Å; Y202-Y216 VanDerWaalsContact O-CA 3.26Å; Y202-Y216 WeakPolarHBondContact O-CA 3.33Å; Y202-Y216 WeakPolarHBondContact O-CB 3.43Å; K214-Y216 VanDerWaalsContact C-N 3.32Å; K214-Y216 HydrophobicContact CB-CD1 4.35Å; K214-Y216 HydrophobicContact CB-CE1 4.21Å; K214-Y216 HydrophobicContact CD-CE2 4.19Å; K214-Y216 HydrophobicContact CG-CE1 4.41Å; Y216-V218 HydrophobicContact CD2-CG2 3.86Å; Y216-V218 HydrophobicContact CE2-CG2 3.55Å |
| 217 | L | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.5 | 163 | -64.7 | -178.3 | 0 | 0 | 0 | 109.2 | R201 Y202 L204 T210 V233 Y242 L245 V250 I261 | R201-L217 CarbonylContact C-O 3.25Å; R201-L217 WeakPolarHBondContact CA-O 3.29Å; Y202-L217 PolarHBondContact N-O 2.89Å; Y202-L217 PolarHBondContact O-N 2.89Å; L204-L217 HydrophobicContact CD2-CG 4.3Å; T210-L217 HydrophobicContact CG2-CD2 3.87Å; L217-V233 HydrophobicContact CD1-CG1 3.89Å; L217-Y242 HydrophobicContact CD2-CD1 3.55Å; L217-Y242 HydrophobicContact CD2-CE1 3.7Å; L217-Y242 HydrophobicContact CD2-CG 4.38Å; L217-L245 HydrophobicContact CD2-CD1 3.71Å; L217-L245 HydrophobicContact CG-CD1 4.49Å; L217-V250 HydrophobicContact CD1-CG1 4.12Å; L217-V250 HydrophobicContact CG-CG1 4.43Å; L217-I261 HydrophobicContact CD1-CD1 3.84Å; L217-I261 HydrophobicContact CD1-CG1 4.11Å |
| 218 | V | 96.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 9% | 0.085 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.8 | 171.6 | -170.4 | 0 | 0 | 0 | 0 | 107.5 | H199 I200 R201 Y216 T273 E355 | H199-V218 HydrophobicContact CB-CG1 3.79Å; I200-V218 WeakPolarHBondContact O-CA 3.29Å; R201-V218 HydrophobicContact CG-CG2 4.49Å; Y216-V218 HydrophobicContact CD2-CG2 3.86Å; Y216-V218 HydrophobicContact CE2-CG2 3.55Å; V218-T273 HydrophobicContact CB-CG2 3.9Å; V218-T273 HydrophobicContact CG1-CG2 3.77Å; V218-T273 WeakPolarHBondContact O-CB 3.33Å; V218-T273 WeakPolarHBondContact O-CG2 3.44Å; V218-T273 PolarHBondContact O-OG1 2.68Å; V218-E355 HydrophobicContact CG1-CB 4.44Å; V218-E355 VanDerWaalsContact CG2-OE2 3.26Å; V218-E355 WeakPolarHBondContact CG2-OE2 3.38Å |
| 219 | V | 95.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.6 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | H199 I200 Y202 V233 C275 K277 | H199-V219 CarbonylContact C-O 3.51Å; H199-V219 WeakPolarHBondContact CA-O 3.44Å; I200-V219 PolarHBondContact N-O 3.41Å; I200-V219 PolarHBondContact O-N 3.37Å; Y202-V219 HydrophobicContact CD1-CG2 4.34Å; Y202-V219 HydrophobicContact CD2-CB 4.1Å; Y202-V219 HydrophobicContact CD2-CG2 3.93Å; Y202-V219 HydrophobicContact CE1-CG2 4.46Å; Y202-V219 HydrophobicContact CE2-CB 3.94Å; Y202-V219 HydrophobicContact CE2-CG2 4.1Å; Y202-V219 HydrophobicContact CG-CG2 4.08Å; V219-V233 HydrophobicContact CG2-CG1 4.2Å; V219-V233 HydrophobicContact CG2-CG2 4.43Å; V219-C275 HydrophobicContact CG2-CB 4.31Å; V219-K277 HydrophobicContact CG1-CB 3.7Å; V219-K277 HydrophobicContact CG1-CD 4.35Å; V219-K277 HydrophobicContact CG1-CG 3.67Å |
| 220 | A | 93.2 | Very high | 95.6 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 12% | 0.116 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | M197 W198 T273 | M197-A220 VanDerWaalsContact CE-C 3.42Å; M197-A220 HydrophobicContact CE-CB 3.52Å; M197-A220 WeakPolarHBondContact CE-O 3.48Å; M197-A220 HydrophobicContact CG-CB 3.94Å; M197-A220 HydrophobicContact SD-CB 4.27Å; W198-A220 CarbonylContact O-C 3.59Å; W198-A220 WeakPolarHBondContact O-CA 3.34Å; A220-T273 HydrophobicContact CB-CG2 4.18Å |
| 221 | T | 93.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.2 | -178.7 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | W198 I200 R223 P224 K277 | W198-T221 HydrophobicContact CB-CG2 4.46Å; W198-T221 PolarHBondContact N-O 2.99Å; W198-T221 PolarHBondContact O-N 3.38Å; I200-T221 HydrophobicContact CD1-CG2 3.97Å; T221-R223 VanDerWaalsContact OG1-C 3.3Å; T221-R223 PolarHBondContact OG1-N 3.31Å; T221-R223 PolarHBondContact OG1-O 2.91Å; T221-P224 HydrophobicContact CG2-CB 4.15Å; T221-K277 VanDerWaalsContact CB-CE 3.46Å; T221-K277 HydrophobicContact CG2-CD 4.39Å; T221-K277 WeakPolarHBondContact OG1-CE 3.2Å |
| 222 | T | 93.6 | Very high | 96.1 | Very high | 40 Ų | 40 | 22 Ų | 22 | 25% | 0.245 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -95.3 | -8.3 | 170.7 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | M197 W198 L362 | M197-T222 HydrophobicContact CE-CG2 4.43Å; M197-T222 HydrophobicContact SD-CG2 3.41Å; M197-T222 WeakPolarHBondContact SD-CG2 3.43Å; W198-T222 WeakPolarHBondContact CZ3-O 3.32Å; T222-L362 HydrophobicContact CG2-CD2 3.44Å; T222-L362 VanDerWaalsContact CG2-CD2 3.44Å |
| 223 | R | 95.2 | Very high | 96.3 | Very high | 37 Ų | 37 | 17.1 Ų | 17.1 | 14% | 0.14 | 10% | 0.097 | C | C | . | . | trans | -129.8 | 70.8 | -177.7 | -61.4 | -162.5 | 65.4 | 174.2 | 6 | 110.5 | T221 E225 T226 H282 E375 | T221-R223 VanDerWaalsContact OG1-C 3.3Å; T221-R223 PolarHBondContact OG1-N 3.31Å; T221-R223 PolarHBondContact OG1-O 2.91Å; R223-E225 WeakPolarHBondContact CA-OE2 3.45Å; R223-E225 IonicContact CZ-OE1 3.94Å; R223-E225 IonicContact NE-OE1 2.69Å; R223-E225 PolarHBondContact NE-OE1 2.88Å; R223-E225 VanDerWaalsContact NE-OE1 3.1Å; R223-E225 IonicContact NH2-OE1 3.78Å; R223-E225 PolarHBondContact NH2-OE1 2.89Å; R223-E225 PolarHBondContact O-N 3.08Å; R223-T226 HydrophobicContact CB-CG2 4.01Å; R223-T226 PolarHBondContact O-N 3.47Å; R223-T226 PolarHBondContact O-OG1 3.49Å; R223-H282 PolarHBondContact NH1-O 3.1Å; R223-E375 IonicContact CZ-OE2 3.71Å; R223-E375 IonicContact NH1-OE2 3.99Å; R223-E375 PolarHBondContact NH1-OE2 3.42Å; R223-E375 IonicContact NH2-OE1 2.83Å; R223-E375 IonicContact NH2-OE2 3.57Å; R223-E375 PolarHBondContact NH2-OE2 3.22Å | ||
| 224 | P | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -67.6 | -22.3 | -178.2 | 27.5 | -33.2 | 0 | 0 | 0 | 112.5 | W198 I200 T221 T226 L227 R341 V344 V345 | W198-P224 HydrophobicContact CD2-CG 3.91Å; W198-P224 HydrophobicContact CE3-CG 3.84Å; W198-P224 HydrophobicContact CG-CG 4.31Å; W198-P224 HydrophobicContact CZ3-CG 4.27Å; I200-P224 HydrophobicContact CD1-CB 4.02Å; T221-P224 HydrophobicContact CG2-CB 4.15Å; P224-T226 PolarHBondContact O-N 3.45Å; P224-L227 WeakPolarHBondContact O-CB 3.21Å; P224-L227 PolarHBondContact O-N 3.43Å; P224-L227 VanDerWaalsContact O-N 3.09Å; P224-R341 HydrophobicContact CG-CG 3.7Å; P224-V344 HydrophobicContact CB-CG1 4.47Å; P224-V344 VanDerWaalsContact O-CG1 3.31Å; P224-V344 WeakPolarHBondContact O-CG1 3.21Å; P224-V345 HydrophobicContact CB-CG2 3.87Å; P224-V345 HydrophobicContact CG-CG2 3.43Å; P224-V345 VanDerWaalsContact CG-CG2 3.43Å |
| 225 | E | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -60.1 | -30.5 | 174 | 69.4 | -75.7 | -177.2 | 0 | 0 | 113.6 | R223 L227 I300 A340 R341 | R223-E225 WeakPolarHBondContact CA-OE2 3.45Å; R223-E225 IonicContact CZ-OE1 3.94Å; R223-E225 IonicContact NE-OE1 2.69Å; R223-E225 PolarHBondContact NE-OE1 2.88Å; R223-E225 VanDerWaalsContact NE-OE1 3.1Å; R223-E225 IonicContact NH2-OE1 3.78Å; R223-E225 PolarHBondContact NH2-OE1 2.89Å; R223-E225 PolarHBondContact O-N 3.08Å; E225-L227 PolarHBondContact O-N 2.84Å; E225-I300 WeakPolarHBondContact O-CD1 3.36Å; E225-A340 HydrophobicContact CB-CB 4.24Å; E225-R341 HydrophobicContact CB-CB 4.17Å; E225-R341 IonicContact OE1-CZ 2.67Å; E225-R341 IonicContact OE1-NE 2.72Å; E225-R341 IonicContact OE1-NH2 2.72Å; E225-R341 PolarHBondContact OE1-NH2 3.39Å; E225-R341 WeakPolarHBondContact OE2-CB 3.35Å; E225-R341 WeakPolarHBondContact OE2-CG 3.42Å; E225-R341 IonicContact OE2-CZ 2.76Å; E225-R341 IonicContact OE2-NE 3.27Å; E225-R341 PolarHBondContact OE2-NE 2.88Å; E225-R341 IonicContact OE2-NH2 3.43Å; E225-R341 PolarHBondContact OE2-NH2 2.95Å |
| 226 | T | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -76.1 | -8.2 | 179.4 | 70 | 0 | 0 | 0 | 0 | 112.4 | R223 P224 L228 G229 K277 H282 | R223-T226 HydrophobicContact CB-CG2 4.01Å; R223-T226 PolarHBondContact O-N 3.47Å; R223-T226 PolarHBondContact O-OG1 3.49Å; P224-T226 PolarHBondContact O-N 3.45Å; T226-L228 PolarHBondContact O-N 3.46Å; T226-L228 VanDerWaalsContact O-N 3.09Å; T226-G229 WeakPolarHBondContact O-CA 3.33Å; T226-G229 PolarHBondContact O-N 2.98Å; T226-K277 PolarHBondContact OG1-NZ 2.89Å; T226-H282 HydrophobicContact CG2-CB 3.9Å |
| 227 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -50.9 | -35.9 | 177.6 | -179.4 | 155.2 | 0 | 0 | 0 | 111.5 | I200 Y202 P224 E225 G229 D230 L252 P253 V348 | I200-L227 HydrophobicContact CD1-CD1 4.1Å; I200-L227 HydrophobicContact CG2-CD1 4.25Å; Y202-L227 HydrophobicContact CE2-CD1 3.97Å; Y202-L227 VanDerWaalsContact OH-CD1 3.31Å; Y202-L227 WeakPolarHBondContact OH-CD1 3.32Å; Y202-L227 WeakPolarHBondContact OH-CG 3.19Å; P224-L227 WeakPolarHBondContact O-CB 3.21Å; P224-L227 PolarHBondContact O-N 3.43Å; P224-L227 VanDerWaalsContact O-N 3.09Å; E225-L227 PolarHBondContact O-N 2.84Å; L227-G229 PolarHBondContact O-N 3.34Å; L227-G229 VanDerWaalsContact O-N 3.11Å; L227-D230 WeakPolarHBondContact O-CB 3.36Å; L227-D230 PolarHBondContact O-N 2.71Å; L227-D230 VanDerWaalsContact O-N 3.09Å; L227-L252 HydrophobicContact CD2-CD1 3.84Å; L227-L252 HydrophobicContact CD2-CG 4.14Å; L227-L252 HydrophobicContact CG-CD1 3.91Å; L227-L252 WeakPolarHBondContact O-CD2 3.47Å; L227-P253 VanDerWaalsContact CD2-O 3.27Å; L227-P253 WeakPolarHBondContact CD2-O 3.47Å; L227-V348 HydrophobicContact CD1-CG2 4.43Å |
| 228 | L | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -58.4 | -25.8 | 177.8 | -56.2 | 175.2 | 0 | 0 | 0 | 113 | T226 V255 R257 I300 I307 I328 F332 V344 | T226-L228 PolarHBondContact O-N 3.46Å; T226-L228 VanDerWaalsContact O-N 3.09Å; L228-V255 HydrophobicContact CD2-CG1 3.75Å; L228-R257 PolarHBondContact O-NH1 2.95Å; L228-R257 PolarHBondContact O-NH2 2.94Å; L228-I300 HydrophobicContact CB-CD1 4.46Å; L228-I300 HydrophobicContact CB-CG2 4.04Å; L228-I307 HydrophobicContact CD1-CD1 4.35Å; L228-I307 HydrophobicContact CD1-CG2 4.4Å; L228-I328 HydrophobicContact CD1-CG2 4.36Å; L228-F332 HydrophobicContact CD1-CB 4.02Å; L228-F332 HydrophobicContact CD1-CD2 4.3Å; L228-F332 HydrophobicContact CD1-CG 4.26Å; L228-F332 HydrophobicContact CD2-CD2 4.01Å; L228-F332 HydrophobicContact CD2-CE2 4.35Å; L228-V344 HydrophobicContact CD1-CG2 4.37Å; L228-V344 HydrophobicContact CG-CG2 4.48Å |
| 229 | G | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -99.5 | 2.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | T226 L227 | T226-G229 WeakPolarHBondContact O-CA 3.33Å; T226-G229 PolarHBondContact O-N 2.98Å; L227-G229 PolarHBondContact O-N 3.34Å; L227-G229 VanDerWaalsContact O-N 3.11Å |
| 230 | D | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -64.5 | 138.9 | -178.5 | -66.3 | -13.3 | 0 | 0 | 0 | 111.3 | Y202 L227 L252 R257 I259 K277 I278 T279 | Y202-D230 WeakPolarHBondContact CE1-OD2 3.43Å; Y202-D230 PolarHBondContact OH-OD2 3.05Å; L227-D230 WeakPolarHBondContact O-CB 3.36Å; L227-D230 PolarHBondContact O-N 2.71Å; L227-D230 VanDerWaalsContact O-N 3.09Å; D230-L252 HydrophobicContact CB-CD1 3.71Å; D230-L252 HydrophobicContact CB-CD2 3.93Å; D230-L252 HydrophobicContact CB-CG 4.5Å; D230-L252 WeakPolarHBondContact O-CD2 3.47Å; D230-R257 PolarHBondContact O-NH1 3.03Å; D230-I259 HydrophobicContact CB-CD1 4.13Å; D230-K277 IonicContact OD1-NZ 3.47Å; D230-K277 WeakPolarHBondContact OD2-CB 3.35Å; D230-I278 WeakPolarHBondContact CA-O 3.4Å; D230-T279 WeakPolarHBondContact OD1-CB 3.3Å | ||
| 231 | T | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -129.3 | 1.2 | 178.9 | 56.9 | 0 | 0 | 0 | 0 | 114 | P260 I278 P280 P296 I298 Y324 | T231-P260 WeakPolarHBondContact O-CD 3.3Å; T231-I278 PolarHBondContact N-O 3.13Å; T231-P280 WeakPolarHBondContact OG1-CD 3.42Å; T231-P280 WeakPolarHBondContact OG1-CG 3.45Å; T231-P296 VanDerWaalsContact CB-O 3.26Å; T231-P296 WeakPolarHBondContact CB-O 3.29Å; T231-P296 HydrophobicContact CG2-CB 4.39Å; T231-P296 WeakPolarHBondContact CG2-O 3.42Å; T231-P296 PolarHBondContact OG1-O 3.15Å; T231-I298 HydrophobicContact CG2-CB 4.36Å; T231-I298 HydrophobicContact CG2-CD1 3.44Å; T231-I298 VanDerWaalsContact CG2-CD1 3.44Å; T231-I298 HydrophobicContact CG2-CG1 3.57Å; T231-Y324 HydrophobicContact CG2-CD2 4.19Å; T231-Y324 HydrophobicContact CG2-CE2 4.11Å | ||
| 232 | G | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 170.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P260 I278 | G232-P260 CarbonylContact C-O 3.54Å; G232-P260 VanDerWaalsContact CA-O 3.28Å; G232-P260 WeakPolarHBondContact CA-O 3.33Å; G232-I278 PolarHBondContact N-O 3.21Å; G232-I278 PolarHBondContact O-N 3.03Å |
| 233 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.9 | 165.6 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | Y202 L217 V219 V250 I259 P260 I261 V262 C275 V276 | Y202-V233 HydrophobicContact CD1-CG2 3.95Å; Y202-V233 HydrophobicContact CE1-CG2 4.37Å; L217-V233 HydrophobicContact CD1-CG1 3.89Å; V219-V233 HydrophobicContact CG2-CG1 4.2Å; V219-V233 HydrophobicContact CG2-CG2 4.43Å; V233-V250 HydrophobicContact CG2-CG2 3.78Å; V233-I259 HydrophobicContact CG2-CD1 4.26Å; V233-P260 PolarHBondContact N-O 3.35Å; V233-I261 CarbonylContact O-C 3.45Å; V233-I261 VanDerWaalsContact O-CA 3.26Å; V233-I261 WeakPolarHBondContact O-CA 3.46Å; V233-V262 PolarHBondContact O-N 2.89Å; V233-C275 HydrophobicContact CG1-CB 4.11Å; V233-V276 CarbonylContact C-O 3.47Å; V233-V276 WeakPolarHBondContact CA-O 3.23Å |
| 234 | A | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 138.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V262 D264 A267 C275 V276 I278 V289 | A234-V262 WeakPolarHBondContact CA-O 3.47Å; A234-V262 HydrophobicContact CB-CG2 4.04Å; A234-D264 HydrophobicContact CB-CB 4.22Å; A234-A267 HydrophobicContact CB-CB 4.22Å; A234-C275 WeakPolarHBondContact O-CA 3.47Å; A234-V276 PolarHBondContact N-O 2.67Å; A234-V276 PolarHBondContact O-N 3.06Å; A234-I278 HydrophobicContact CB-CD1 3.66Å; A234-I278 HydrophobicContact CB-CG1 3.83Å; A234-V289 HydrophobicContact CB-CG1 4.47Å |
| 235 | V | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.7 | 168.8 | -61.6 | 0 | 0 | 0 | 0 | 108.4 | Y242 I246 I261 V262 G263 D264 C275 | V235-Y242 HydrophobicContact CB-CD2 4.29Å; V235-Y242 HydrophobicContact CB-CG 4.44Å; V235-Y242 HydrophobicContact CG1-CD2 4.03Å; V235-Y242 HydrophobicContact CG1-CG 4.06Å; V235-I246 HydrophobicContact CG2-CD1 4.25Å; V235-I246 HydrophobicContact CG2-CG1 3.76Å; V235-I261 HydrophobicContact CG1-CG2 4.24Å; V235-I261 HydrophobicContact CG2-CG2 3.9Å; V235-V262 PolarHBondContact N-O 2.97Å; V235-G263 VanDerWaalsContact O-CA 3.31Å; V235-G263 WeakPolarHBondContact O-CA 3.32Å; V235-D264 PolarHBondContact O-N 3.04Å; V235-C275 HydrophobicContact CG1-CB 4.33Å |
| 236 | N | 96.7 | Very high | 96.6 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 13% | 0.128 | 17% | 0.165 | C | C | . | . | trans | -64.8 | 133.6 | 176.6 | -162.5 | -75.5 | 0 | 0 | 0 | 109.7 | E238 D239 A267 M269 | N236-E238 PolarHBondContact O-N 3.29Å; N236-E238 VanDerWaalsContact O-N 3.13Å; N236-E238 PolarHBondContact OD1-N 2.92Å; N236-D239 HydrophobicContact CB-CB 4.09Å; N236-D239 WeakPolarHBondContact O-CB 3.23Å; N236-D239 PolarHBondContact O-N 2.92Å; N236-A267 VanDerWaalsContact CB-O 3.24Å; N236-A267 WeakPolarHBondContact CB-O 3.29Å; N236-A267 PolarHBondContact ND2-O 3.49Å; N236-M269 HydrophobicContact CB-CG 3.36Å; N236-M269 HydrophobicContact CB-SD 3.98Å | ||
| 237 | P | 96.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 35.7 Ų | 35.7 | 28% | 0.279 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.6 | 176.8 | -26.8 | 34.9 | 0 | 0 | 0 | 114.4 | K243 | P237-K243 VanDerWaalsContact O-CB 3.31Å; P237-K243 WeakPolarHBondContact O-CB 3.48Å |
| 238 | E | 95.8 | Very high | 96.6 | Very high | 144 Ų | 144 | 39.7 Ų | 39.7 | 67% | 0.673 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -0.9 | -178.6 | -60.6 | -55.5 | 135.4 | 0 | 0 | 113.3 | N236 P240 M269 | N236-E238 PolarHBondContact O-N 3.29Å; N236-E238 VanDerWaalsContact O-N 3.13Å; N236-E238 PolarHBondContact OD1-N 2.92Å; E238-P240 WeakPolarHBondContact O-CD 3.42Å; E238-P240 VanDerWaalsContact O-N 3.16Å; E238-M269 HydrophobicContact CB-SD 4.27Å |
| 239 | D | 95.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -71.3 | 109.5 | -177.8 | -162.1 | -32.5 | 0 | 0 | 0 | 111.6 | N236 R241 Y242 K243 M269 | N236-D239 HydrophobicContact CB-CB 4.09Å; N236-D239 WeakPolarHBondContact O-CB 3.23Å; N236-D239 PolarHBondContact O-N 2.92Å; D239-R241 PolarHBondContact O-N 3.13Å; D239-R241 WeakPolarHBondContact OD1-CB 3.34Å; D239-R241 VanDerWaalsContact OD1-CG 3.26Å; D239-R241 WeakPolarHBondContact OD1-CG 3.37Å; D239-R241 IonicContact OD1-CZ 2.64Å; D239-R241 PolarHBondContact OD1-N 2.98Å; D239-R241 IonicContact OD1-NE 3.15Å; D239-R241 PolarHBondContact OD1-NE 3.24Å; D239-R241 IonicContact OD1-NH2 3.44Å; D239-R241 IonicContact OD2-CZ 3.41Å; D239-R241 VanDerWaalsContact OD2-CZ 3.25Å; D239-R241 IonicContact OD2-NE 3.35Å; D239-R241 PolarHBondContact OD2-NE 2.92Å; D239-R241 IonicContact OD2-NH2 3.32Å; D239-R241 PolarHBondContact OD2-NH2 3.33Å; D239-Y242 HydrophobicContact CB-CD2 4.3Å; D239-Y242 PolarHBondContact O-N 3.46Å; D239-Y242 WeakPolarHBondContact OD2-CD2 3.06Å; D239-K243 VanDerWaalsContact O-CB 3.29Å; D239-K243 WeakPolarHBondContact O-CB 3.22Å; D239-K243 WeakPolarHBondContact O-CG 3.37Å; D239-K243 PolarHBondContact O-N 3.47Å; D239-M269 HydrophobicContact CB-CE 4.09Å; D239-M269 HydrophobicContact CB-CG 3.9Å; D239-M269 HydrophobicContact CB-SD 4.03Å | ||
| 240 | P | 94 | Very high | 96.7 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.3 | -178.7 | 29.1 | -35.8 | 0 | 0 | 0 | 112.6 | E238 | E238-P240 WeakPolarHBondContact O-CD 3.42Å; E238-P240 VanDerWaalsContact O-N 3.16Å |
| 241 | R | 94.1 | Very high | 96.7 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -32.7 | 176.6 | -57.4 | 173 | -70.9 | -169.6 | -2.9 | 112.1 | A211 D239 M269 | A211-R241 PolarHBondContact N-O 3.42Å; D239-R241 PolarHBondContact O-N 3.13Å; D239-R241 WeakPolarHBondContact OD1-CB 3.34Å; D239-R241 VanDerWaalsContact OD1-CG 3.26Å; D239-R241 WeakPolarHBondContact OD1-CG 3.37Å; D239-R241 IonicContact OD1-CZ 2.64Å; D239-R241 PolarHBondContact OD1-N 2.98Å; D239-R241 IonicContact OD1-NE 3.15Å; D239-R241 PolarHBondContact OD1-NE 3.24Å; D239-R241 IonicContact OD1-NH2 3.44Å; D239-R241 IonicContact OD2-CZ 3.41Å; D239-R241 VanDerWaalsContact OD2-CZ 3.25Å; D239-R241 IonicContact OD2-NE 3.35Å; D239-R241 PolarHBondContact OD2-NE 2.92Å; D239-R241 IonicContact OD2-NH2 3.32Å; D239-R241 PolarHBondContact OD2-NH2 3.33Å; R241-M269 PolarHBondContact NH2-O 2.94Å |
| 242 | Y | 95.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.6 | -12.6 | -164.2 | -47.8 | -53.5 | 0 | 0 | 0 | 115.7 | T210 L217 V235 D239 D244 L245 T273 C275 | T210-Y242 HydrophobicContact CG2-CD1 4.4Å; T210-Y242 HydrophobicContact CG2-CE1 4.31Å; L217-Y242 HydrophobicContact CD2-CD1 3.55Å; L217-Y242 HydrophobicContact CD2-CE1 3.7Å; L217-Y242 HydrophobicContact CD2-CG 4.38Å; V235-Y242 HydrophobicContact CB-CD2 4.29Å; V235-Y242 HydrophobicContact CB-CG 4.44Å; V235-Y242 HydrophobicContact CG1-CD2 4.03Å; V235-Y242 HydrophobicContact CG1-CG 4.06Å; D239-Y242 HydrophobicContact CB-CD2 4.3Å; D239-Y242 PolarHBondContact O-N 3.46Å; D239-Y242 WeakPolarHBondContact OD2-CD2 3.06Å; Y242-D244 PolarHBondContact O-N 3.24Å; Y242-D244 VanDerWaalsContact O-N 3.11Å; Y242-L245 HydrophobicContact CD1-CD1 4.24Å; Y242-L245 WeakPolarHBondContact O-CA 3.37Å; Y242-L245 WeakPolarHBondContact O-CB 3.47Å; Y242-L245 PolarHBondContact O-N 3.24Å; Y242-T273 WeakPolarHBondContact CE2-O 3.44Å; Y242-T273 PolarHBondContact OH-O 3.09Å; Y242-C275 WeakPolarHBondContact CE2-SG 3.37Å |
| 243 | K | 94.3 | Very high | 96.5 | Very high | 98 Ų | 98 | 46.4 Ų | 46.4 | 43% | 0.426 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -53.4 | -36.5 | -177.3 | 67.7 | -179.1 | -171.9 | 175.7 | 0 | 113.7 | P237 D239 L245 I246 | P237-K243 VanDerWaalsContact O-CB 3.31Å; P237-K243 WeakPolarHBondContact O-CB 3.48Å; D239-K243 VanDerWaalsContact O-CB 3.29Å; D239-K243 WeakPolarHBondContact O-CB 3.22Å; D239-K243 WeakPolarHBondContact O-CG 3.37Å; D239-K243 PolarHBondContact O-N 3.47Å; K243-L245 PolarHBondContact O-N 2.91Å; K243-L245 VanDerWaalsContact O-N 3.15Å; K243-I246 HydrophobicContact CB-CD1 4.5Å; K243-I246 WeakPolarHBondContact O-CB 3.41Å; K243-I246 WeakPolarHBondContact O-CG1 3.47Å; K243-I246 PolarHBondContact O-N 2.82Å |
| 244 | D | 95.4 | Very high | 96.3 | Very high | 113 Ų | 113 | 47.7 Ų | 47.7 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -74.2 | -1.4 | 178.8 | -61.8 | -25.4 | 0 | 0 | 0 | 113 | Y242 K248 | Y242-D244 PolarHBondContact O-N 3.24Å; Y242-D244 VanDerWaalsContact O-N 3.11Å; D244-K248 WeakPolarHBondContact O-CE 3.46Å; D244-K248 PolarHBondContact O-NZ 2.87Å |
| 245 | L | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -99.6 | -10.9 | 174.3 | -57.4 | 175.2 | 0 | 0 | 0 | 112.9 | L204 A208 K209 T210 L217 Y242 K243 G247 K248 I261 | L204-L245 HydrophobicContact CD1-CD1 4.27Å; L204-L245 HydrophobicContact CD1-CD2 4.35Å; L204-L245 HydrophobicContact CD2-CD1 4.17Å; L204-L245 HydrophobicContact CD2-CD2 4.25Å; A208-L245 HydrophobicContact CB-CD2 4.44Å; K209-L245 WeakPolarHBondContact O-CD2 3.5Å; T210-L245 HydrophobicContact CG2-CD1 4.06Å; L217-L245 HydrophobicContact CD2-CD1 3.71Å; L217-L245 HydrophobicContact CG-CD1 4.49Å; Y242-L245 HydrophobicContact CD1-CD1 4.24Å; Y242-L245 WeakPolarHBondContact O-CA 3.37Å; Y242-L245 WeakPolarHBondContact O-CB 3.47Å; Y242-L245 PolarHBondContact O-N 3.24Å; K243-L245 PolarHBondContact O-N 2.91Å; K243-L245 VanDerWaalsContact O-N 3.15Å; L245-G247 PolarHBondContact O-N 3.11Å; L245-K248 HydrophobicContact CD2-CD 3.9Å; L245-K248 WeakPolarHBondContact O-CA 3.49Å; L245-K248 WeakPolarHBondContact O-CB 3.36Å; L245-K248 PolarHBondContact O-N 3.1Å; L245-I261 HydrophobicContact CB-CD1 3.84Å; L245-I261 HydrophobicContact CB-CG2 4.33Å; L245-I261 WeakPolarHBondContact O-CB 3.45Å |
| 246 | I | 97.4 | Very high | 96.1 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 35% | 0.349 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 131 | 177 | -63.6 | 166.4 | 0 | 0 | 0 | 109.4 | V235 K243 K248 | V235-I246 HydrophobicContact CG2-CD1 4.25Å; V235-I246 HydrophobicContact CG2-CG1 3.76Å; K243-I246 HydrophobicContact CB-CD1 4.5Å; K243-I246 WeakPolarHBondContact O-CB 3.41Å; K243-I246 WeakPolarHBondContact O-CG1 3.47Å; K243-I246 PolarHBondContact O-N 2.82Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.46Å |
| 247 | G | 96.5 | Very high | 96.1 | Very high | 52 Ų | 52 | 55 Ų | 55 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -7.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L245 I261 | L245-G247 PolarHBondContact O-N 3.11Å; G247-I261 PolarHBondContact N-O 3.39Å |
| 248 | K | 98.1 | Very high | 96.1 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | trans | -84.9 | -175 | 167.4 | -54.5 | -174.1 | -175.1 | 156.2 | 0 | 110.1 | A208 D244 L245 I246 P260 I261 | A208-K248 HydrophobicContact CB-CD 3.84Å; D244-K248 WeakPolarHBondContact O-CE 3.46Å; D244-K248 PolarHBondContact O-NZ 2.87Å; L245-K248 HydrophobicContact CD2-CD 3.9Å; L245-K248 WeakPolarHBondContact O-CA 3.49Å; L245-K248 WeakPolarHBondContact O-CB 3.36Å; L245-K248 PolarHBondContact O-N 3.1Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.46Å; K248-P260 CarbonylContact O-C 3.55Å; K248-P260 WeakPolarHBondContact O-CA 3.34Å; K248-I261 HydrophobicContact CB-CD1 4.38Å; K248-I261 PolarHBondContact O-N 3.1Å | ||
| 249 | Y | 98.3 | Very high | 96.2 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.9 | -171.9 | -61 | -95.5 | 0 | 0 | 0 | 111.4 | A205 R258 I259 P260 | A205-Y249 WeakPolarHBondContact CB-O 3.42Å; A205-Y249 PolarHBondContact N-O 2.9Å; Y249-R258 HydrophobicContact CD1-CG 3.68Å; Y249-R258 HydrophobicContact CG-CG 3.88Å; Y249-I259 VanDerWaalsContact CA-O 3.29Å; Y249-I259 WeakPolarHBondContact CA-O 3.15Å; Y249-P260 HydrophobicContact CD1-CB 4.21Å; Y249-P260 HydrophobicContact CE1-CB 4.03Å |
| 250 | V | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 160.5 | 162.3 | -62.1 | 0 | 0 | 0 | 0 | 109.8 | Y202 P203 L204 L217 V233 I259 I261 | Y202-V250 HydrophobicContact CD1-CG2 4.14Å; P203-V250 CarbonylContact O-C 3.37Å; P203-V250 WeakPolarHBondContact O-CA 3.43Å; P203-V250 VanDerWaalsContact O-CB 3.28Å; P203-V250 WeakPolarHBondContact O-CB 3.4Å; L204-V250 HydrophobicContact CD2-CG1 3.96Å; L217-V250 HydrophobicContact CD1-CG1 4.12Å; L217-V250 HydrophobicContact CG-CG1 4.43Å; V233-V250 HydrophobicContact CG2-CG2 3.78Å; V250-I259 HydrophobicContact CG2-CD1 3.89Å; V250-I259 HydrophobicContact CG2-CG1 3.4Å; V250-I259 PolarHBondContact N-O 3.35Å; V250-I259 PolarHBondContact O-N 3.39Å; V250-I261 HydrophobicContact CG1-CD1 3.93Å; V250-I261 HydrophobicContact CG1-CG1 4.03Å |
| 251 | I | 97.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.2 | 167.5 | -54.1 | -56.2 | 0 | 0 | 0 | 107.4 | P203 A205 P253 N256 R258 | P203-I251 WeakPolarHBondContact CD-O 3.39Å; P203-I251 PolarHBondContact O-N 3.43Å; A205-I251 HydrophobicContact CB-CD1 3.85Å; A205-I251 HydrophobicContact CB-CG1 4.14Å; I251-P253 WeakPolarHBondContact O-CD 3.47Å; I251-N256 HydrophobicContact CG2-CB 4.4Å; I251-R258 HydrophobicContact CD1-CB 4.36Å |
| 252 | L | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 121.9 | 178.2 | -176.4 | 60.7 | 0 | 0 | 0 | 109.7 | Y202 L227 D230 V255 N256 R257 I259 | Y202-L252 HydrophobicContact CD1-CD1 4.03Å; Y202-L252 HydrophobicContact CE1-CD1 3.33Å; L227-L252 HydrophobicContact CD2-CD1 3.84Å; L227-L252 HydrophobicContact CD2-CG 4.14Å; L227-L252 HydrophobicContact CG-CD1 3.91Å; L227-L252 WeakPolarHBondContact O-CD2 3.47Å; D230-L252 HydrophobicContact CB-CD1 3.71Å; D230-L252 HydrophobicContact CB-CD2 3.93Å; D230-L252 HydrophobicContact CB-CG 4.5Å; D230-L252 WeakPolarHBondContact O-CD2 3.47Å; L252-V255 HydrophobicContact CB-CG2 4.04Å; L252-V255 HydrophobicContact CD2-CG2 3.37Å; L252-V255 HydrophobicContact CG-CG2 3.62Å; L252-N256 WeakPolarHBondContact O-CA 3.17Å; L252-N256 PolarHBondContact O-N 3.5Å; L252-R257 HydrophobicContact CB-CB 4.06Å; L252-R257 WeakPolarHBondContact CB-O 3.32Å; L252-R257 HydrophobicContact CD2-CB 4.14Å; L252-R257 PolarHBondContact N-O 3.2Å; L252-I259 HydrophobicContact CB-CD1 4.16Å; L252-I259 HydrophobicContact CB-CG1 4.47Å; L252-I259 HydrophobicContact CD1-CD1 4.04Å; L252-I259 HydrophobicContact CG-CD1 4.48Å |
| 253 | P | 94 | Very high | 96.8 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 156.5 | 179 | -28.1 | 37.5 | 0 | 0 | 0 | 113 | Y202 L227 I251 V255 L353 | Y202-P253 HydrophobicContact CD2-CG 4.32Å; L227-P253 VanDerWaalsContact CD2-O 3.27Å; L227-P253 WeakPolarHBondContact CD2-O 3.47Å; I251-P253 WeakPolarHBondContact O-CD 3.47Å; P253-V255 PolarHBondContact O-N 3.23Å; P253-L353 HydrophobicContact CB-CD1 3.77Å; P253-L353 HydrophobicContact CG-CD1 3.88Å |
| 254 | L | 95.5 | Very high | 96.9 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -36.1 | 178.2 | -50.2 | 178 | 0 | 0 | 0 | 116.4 | F332 V344 A347 V348 L351 | L254-F332 HydrophobicContact CB-CE2 4.26Å; L254-F332 HydrophobicContact CD1-CE2 3.94Å; L254-F332 HydrophobicContact CD1-CZ 3.78Å; L254-F332 HydrophobicContact CD2-CZ 4.47Å; L254-V344 HydrophobicContact CD1-CB 4.38Å; L254-V344 HydrophobicContact CD1-CG1 3.8Å; L254-V344 HydrophobicContact CD1-CG2 4.38Å; L254-A347 HydrophobicContact CD1-CB 4.18Å; L254-A347 HydrophobicContact CD2-CB 3.58Å; L254-V348 HydrophobicContact CD1-CG2 4.01Å; L254-V348 HydrophobicContact CG-CG2 4.29Å; L254-L351 HydrophobicContact CD2-CD1 3.71Å |
| 255 | V | 95.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -6.9 | -179.1 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | L228 L252 P253 R257 P329 | L228-V255 HydrophobicContact CD2-CG1 3.75Å; L252-V255 HydrophobicContact CB-CG2 4.04Å; L252-V255 HydrophobicContact CD2-CG2 3.37Å; L252-V255 HydrophobicContact CG-CG2 3.62Å; P253-V255 PolarHBondContact O-N 3.23Å; V255-R257 HydrophobicContact CG2-CB 3.96Å; V255-R257 PolarHBondContact O-N 3.21Å; V255-R257 VanDerWaalsContact O-N 3.07Å; V255-P329 HydrophobicContact CG1-CG 3.99Å |
| 256 | N | 94.6 | Very high | 96.7 | Very high | 127 Ų | 127 | 45.4 Ų | 45.4 | 68% | 0.679 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 29.8 | 178.6 | -61.8 | -53.9 | 0 | 0 | 0 | 114.3 | I251 L252 | I251-N256 HydrophobicContact CG2-CB 4.4Å; L252-N256 WeakPolarHBondContact O-CA 3.17Å; L252-N256 PolarHBondContact O-N 3.5Å |
| 257 | R | 96.1 | Very high | 96.5 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.5 | 180 | -169.7 | -174.8 | -61.2 | 130.8 | 4.3 | 109.8 | L228 D230 L252 V255 I259 Y324 | L228-R257 PolarHBondContact O-NH1 2.95Å; L228-R257 PolarHBondContact O-NH2 2.94Å; D230-R257 PolarHBondContact O-NH1 3.03Å; L252-R257 HydrophobicContact CB-CB 4.06Å; L252-R257 WeakPolarHBondContact CB-O 3.32Å; L252-R257 HydrophobicContact CD2-CB 4.14Å; L252-R257 PolarHBondContact N-O 3.2Å; V255-R257 HydrophobicContact CG2-CB 3.96Å; V255-R257 PolarHBondContact O-N 3.21Å; V255-R257 VanDerWaalsContact O-N 3.07Å; R257-I259 HydrophobicContact CB-CG2 4.33Å; R257-I259 HydrophobicContact CG-CG2 3.85Å; R257-I259 PolarHBondContact O-N 3.39Å; R257-Y324 HydrophobicContact CG-CD1 3.69Å; R257-Y324 HydrophobicContact CG-CE1 3.82Å; R257-Y324 HydrophobicContact CG-CG 4.26Å |
| 258 | R | 96.7 | Very high | 96.3 | Very high | 100 Ų | 100 | 42.5 Ų | 42.5 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 109.8 | 173.1 | -175.4 | 177.7 | 174.8 | 123.7 | -1.4 | 109.8 | D206 Y249 I251 Y324 | D206-R258 IonicContact OD1-CZ 2.76Å; D206-R258 IonicContact OD1-NH1 2.88Å; D206-R258 PolarHBondContact OD1-NH1 3.32Å; D206-R258 IonicContact OD1-NH2 3.57Å; D206-R258 IonicContact OD2-CZ 3.22Å; D206-R258 VanDerWaalsContact OD2-CZ 3.27Å; D206-R258 IonicContact OD2-NH1 3.82Å; D206-R258 PolarHBondContact OD2-NH1 3.06Å; D206-R258 VanDerWaalsContact OD2-NH1 3.1Å; D206-R258 IonicContact OD2-NH2 3.51Å; D206-R258 PolarHBondContact OD2-NH2 2.88Å; Y249-R258 HydrophobicContact CD1-CG 3.68Å; Y249-R258 HydrophobicContact CG-CG 3.88Å; I251-R258 HydrophobicContact CD1-CB 4.36Å; R258-Y324 WeakPolarHBondContact O-CE1 3.45Å; R258-Y324 PolarHBondContact O-OH 2.96Å |
| 259 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.2 | -177.9 | 63.7 | 174.9 | 0 | 0 | 0 | 111.1 | Y202 D230 V233 Y249 V250 L252 R257 | Y202-I259 HydrophobicContact CE1-CD1 4.48Å; D230-I259 HydrophobicContact CB-CD1 4.13Å; V233-I259 HydrophobicContact CG2-CD1 4.26Å; Y249-I259 VanDerWaalsContact CA-O 3.29Å; Y249-I259 WeakPolarHBondContact CA-O 3.15Å; V250-I259 HydrophobicContact CG2-CD1 3.89Å; V250-I259 HydrophobicContact CG2-CG1 3.4Å; V250-I259 PolarHBondContact N-O 3.35Å; V250-I259 PolarHBondContact O-N 3.39Å; L252-I259 HydrophobicContact CB-CD1 4.16Å; L252-I259 HydrophobicContact CB-CG1 4.47Å; L252-I259 HydrophobicContact CD1-CD1 4.04Å; L252-I259 HydrophobicContact CG-CD1 4.48Å; R257-I259 HydrophobicContact CB-CG2 4.33Å; R257-I259 HydrophobicContact CG-CG2 3.85Å; R257-I259 PolarHBondContact O-N 3.39Å |
| 260 | P | 98.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 153.4 | -176.8 | 30.1 | -37.6 | 0 | 0 | 0 | 113 | T231 G232 V233 K248 Y249 V262 L295 | T231-P260 WeakPolarHBondContact O-CD 3.3Å; G232-P260 CarbonylContact C-O 3.54Å; G232-P260 VanDerWaalsContact CA-O 3.28Å; G232-P260 WeakPolarHBondContact CA-O 3.33Å; V233-P260 PolarHBondContact N-O 3.35Å; K248-P260 CarbonylContact O-C 3.55Å; K248-P260 WeakPolarHBondContact O-CA 3.34Å; Y249-P260 HydrophobicContact CD1-CB 4.21Å; Y249-P260 HydrophobicContact CE1-CB 4.03Å; P260-V262 HydrophobicContact CB-CG1 4.41Å; P260-V262 HydrophobicContact CG-CG1 4.46Å; P260-L295 HydrophobicContact CG-CD2 3.65Å |
| 261 | I | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123 | 164.6 | -57.7 | 165.6 | 0 | 0 | 0 | 107.5 | L204 L217 V233 V235 L245 G247 K248 V250 | L204-I261 HydrophobicContact CD2-CD1 3.59Å; L217-I261 HydrophobicContact CD1-CD1 3.84Å; L217-I261 HydrophobicContact CD1-CG1 4.11Å; V233-I261 CarbonylContact O-C 3.45Å; V233-I261 VanDerWaalsContact O-CA 3.26Å; V233-I261 WeakPolarHBondContact O-CA 3.46Å; V235-I261 HydrophobicContact CG1-CG2 4.24Å; V235-I261 HydrophobicContact CG2-CG2 3.9Å; L245-I261 HydrophobicContact CB-CD1 3.84Å; L245-I261 HydrophobicContact CB-CG2 4.33Å; L245-I261 WeakPolarHBondContact O-CB 3.45Å; G247-I261 PolarHBondContact N-O 3.39Å; K248-I261 HydrophobicContact CB-CD1 4.38Å; K248-I261 PolarHBondContact O-N 3.1Å; V250-I261 HydrophobicContact CG1-CD1 3.93Å; V250-I261 HydrophobicContact CG1-CG1 4.03Å |
| 262 | V | 98.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.3 | -176.8 | -61 | 0 | 0 | 0 | 0 | 111.1 | V233 A234 V235 P260 H293 L295 | V233-V262 PolarHBondContact O-N 2.89Å; A234-V262 WeakPolarHBondContact CA-O 3.47Å; A234-V262 HydrophobicContact CB-CG2 4.04Å; V235-V262 PolarHBondContact N-O 2.97Å; P260-V262 HydrophobicContact CB-CG1 4.41Å; P260-V262 HydrophobicContact CG-CG1 4.46Å; V262-H293 HydrophobicContact CB-CB 4.42Å; V262-H293 HydrophobicContact CG1-CB 4.13Å; V262-L295 HydrophobicContact CG1-CD2 4.24Å |
| 263 | G | 97.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 55 Ų | 55 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 107.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V235 H293 | V235-G263 VanDerWaalsContact O-CA 3.31Å; V235-G263 WeakPolarHBondContact O-CA 3.32Å; G263-H293 PolarHBondContact O-CE1 3.48Å; G263-H293 PolarHBondContact O-NE2 3.27Å |
| 264 | D | 97.2 | Very high | 93.7 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | trans | -138.4 | 137.9 | 178.2 | -163.5 | -71.6 | 0 | 0 | 0 | 110.5 | A234 V235 H266 A267 V289 R292 H293 | A234-D264 HydrophobicContact CB-CB 4.22Å; V235-D264 PolarHBondContact O-N 3.04Å; D264-H266 PolarHBondContact O-N 3.3Å; D264-H266 WeakPolarHBondContact OD1-CB 3.32Å; D264-H266 PolarHBondContact OD1-N 3.44Å; D264-A267 PolarHBondContact O-N 3.44Å; D264-V289 HydrophobicContact CB-CG1 4.14Å; D264-R292 VanDerWaalsContact CG-NH2 3.3Å; D264-R292 IonicContact OD1-CZ 3.84Å; D264-R292 IonicContact OD1-NE 2.69Å; D264-R292 IonicContact OD1-NH2 3.1Å; D264-R292 PolarHBondContact OD1-NH2 3.46Å; D264-R292 IonicContact OD2-CZ 3.96Å; D264-R292 VanDerWaalsContact OD2-CZ 3.28Å; D264-R292 IonicContact OD2-NE 3.88Å; D264-R292 PolarHBondContact OD2-NE 3.04Å; D264-R292 IonicContact OD2-NH2 3.26Å; D264-R292 PolarHBondContact OD2-NH2 2.97Å; D264-H293 WeakPolarHBondContact CB-NE2 3.34Å; D264-H293 IonicContact OD2-CD2 2.66Å; D264-H293 PolarHBondContact OD2-CD2 3.39Å; D264-H293 IonicContact OD2-NE2 3.77Å; D264-H293 PolarHBondContact OD2-NE2 3.17Å; D264-H293 VanDerWaalsContact OD2-NE2 3.08Å | ||
| 265 | E | 94.7 | Very high | 93.7 | Very high | 165 Ų | 165 | 53.8 Ų | 53.8 | 77% | 0.771 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.6 | -180 | -65.6 | -178.3 | 175.2 | 0 | 0 | 113.3 | A267 | E265-A267 PolarHBondContact O-N 2.91Š|
| 266 | H | 93 | Very high | 93.8 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 32% | 0.324 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.1 | 171.4 | -177.2 | 59.1 | 0 | 0 | 0 | 112.2 | D264 D268 N285 V289 | D264-H266 PolarHBondContact O-N 3.3Å; D264-H266 WeakPolarHBondContact OD1-CB 3.32Å; D264-H266 PolarHBondContact OD1-N 3.44Å; H266-D268 PolarHBondContact O-N 2.86Å; H266-N285 WeakPolarHBondContact CE1-CB 3.35Å; H266-V289 HydrophobicContact CB-CG2 3.7Å |
| 267 | A | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -75.6 | 107.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A234 N236 D264 E265 V276 | A234-A267 HydrophobicContact CB-CB 4.22Å; N236-A267 VanDerWaalsContact CB-O 3.24Å; N236-A267 WeakPolarHBondContact CB-O 3.29Å; N236-A267 PolarHBondContact ND2-O 3.49Å; D264-A267 PolarHBondContact O-N 3.44Å; E265-A267 PolarHBondContact O-N 2.91Å; A267-V276 HydrophobicContact CB-CG2 3.99Å |
| 268 | D | 91.1 | Very high | 94 | Very high | 60 Ų | 60 | 48 Ų | 48 | 32% | 0.321 | 25% | 0.25 | S | S | . | . | trans | -83.9 | 122.4 | 177.7 | -177.7 | -24.5 | 0 | 0 | 0 | 110.3 | H266 E270 K271 | H266-D268 PolarHBondContact O-N 2.86Å; D268-E270 PolarHBondContact O-N 3.41Å; D268-E270 PolarHBondContact OD1-N 2.96Å; D268-K271 HydrophobicContact CB-CB 4.05Å; D268-K271 HydrophobicContact CB-CD 4.15Å; D268-K271 HydrophobicContact CB-CG 4.22Å; D268-K271 PolarHBondContact O-N 3.21Å; D268-K271 PolarHBondContact OD1-N 3.29Å; D268-K271 WeakPolarHBondContact OD2-CD 3.32Å; D268-K271 WeakPolarHBondContact OD2-CE 3.07Å; D268-K271 WeakPolarHBondContact OD2-CG 3.17Å; D268-K271 IonicContact OD2-NZ 3.82Å; D268-K271 PolarHBondContact OD2-NZ 3.4Å | ||
| 269 | M | 91.8 | Very high | 94 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 30% | 0.3 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.7 | -178 | -65 | 176.4 | 51.1 | 0 | 0 | 113.4 | N236 E238 D239 R241 | N236-M269 HydrophobicContact CB-CG 3.36Å; N236-M269 HydrophobicContact CB-SD 3.98Å; E238-M269 HydrophobicContact CB-SD 4.27Å; D239-M269 HydrophobicContact CB-CE 4.09Å; D239-M269 HydrophobicContact CB-CG 3.9Å; D239-M269 HydrophobicContact CB-SD 4.03Å; R241-M269 PolarHBondContact NH2-O 2.94Å |
| 270 | E | 89.6 | Confident | 93.9 | Very high | 185 Ų | 185 | 43.2 Ų | 43.2 | 86% | 0.864 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -15.6 | -175 | -59.4 | -170.2 | 162.8 | 0 | 0 | 112.5 | D268 | D268-E270 PolarHBondContact O-N 3.41Å; D268-E270 PolarHBondContact OD1-N 2.96Å |
| 271 | K | 83.5 | Confident | 93.9 | Very high | 151 Ų | 151 | 42.1 Ų | 42.1 | 66% | 0.657 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -98.8 | 133.6 | 180 | -68.8 | 180 | -172.3 | 161.5 | 0 | 112.6 | D268 T273 G274 | D268-K271 HydrophobicContact CB-CB 4.05Å; D268-K271 HydrophobicContact CB-CD 4.15Å; D268-K271 HydrophobicContact CB-CG 4.22Å; D268-K271 PolarHBondContact O-N 3.21Å; D268-K271 PolarHBondContact OD1-N 3.29Å; D268-K271 WeakPolarHBondContact OD2-CD 3.32Å; D268-K271 WeakPolarHBondContact OD2-CE 3.07Å; D268-K271 WeakPolarHBondContact OD2-CG 3.17Å; D268-K271 IonicContact OD2-NZ 3.82Å; D268-K271 PolarHBondContact OD2-NZ 3.4Å; K271-T273 PolarHBondContact O-N 3.05Å; K271-G274 PolarHBondContact O-N 3.38Å; K271-G274 VanDerWaalsContact O-N 3.17Å |
| 272 | G | 83.4 | Confident | 93.8 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 68% | 0.68 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | -124.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 273 | T | 90 | Very high | 93.7 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 13% | 0.129 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -7.8 | -179.2 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | V218 A220 Y242 K271 C275 | V218-T273 HydrophobicContact CB-CG2 3.9Å; V218-T273 HydrophobicContact CG1-CG2 3.77Å; V218-T273 WeakPolarHBondContact O-CB 3.33Å; V218-T273 WeakPolarHBondContact O-CG2 3.44Å; V218-T273 PolarHBondContact O-OG1 2.68Å; A220-T273 HydrophobicContact CB-CG2 4.18Å; Y242-T273 WeakPolarHBondContact CE2-O 3.44Å; Y242-T273 PolarHBondContact OH-O 3.09Å; K271-T273 PolarHBondContact O-N 3.05Å; T273-C275 PolarHBondContact O-N 3.36Å; T273-C275 PolarHBondContact OG1-N 3.01Å; T273-C275 PolarHBondContact OG1-O 2.72Å |
| 274 | G | 91.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 75.2 | 0.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K271 | K271-G274 PolarHBondContact O-N 3.38Å; K271-G274 VanDerWaalsContact O-N 3.17Å |
| 275 | C | 95.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.7 | 176 | -53 | 0 | 0 | 0 | 0 | 110.5 | V219 V233 A234 V235 Y242 T273 | V219-C275 HydrophobicContact CG2-CB 4.31Å; V233-C275 HydrophobicContact CG1-CB 4.11Å; A234-C275 WeakPolarHBondContact O-CA 3.47Å; V235-C275 HydrophobicContact CG1-CB 4.33Å; Y242-C275 WeakPolarHBondContact CE2-SG 3.37Å; T273-C275 PolarHBondContact O-N 3.36Å; T273-C275 PolarHBondContact OG1-N 3.01Å; T273-C275 PolarHBondContact OG1-O 2.72Å |
| 276 | V | 95.6 | Very high | 93.5 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.6 | -178.8 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | V233 A234 A267 I278 | V233-V276 CarbonylContact C-O 3.47Å; V233-V276 WeakPolarHBondContact CA-O 3.23Å; A234-V276 PolarHBondContact N-O 2.67Å; A234-V276 PolarHBondContact O-N 3.06Å; A267-V276 HydrophobicContact CB-CG2 3.99Å; V276-I278 HydrophobicContact CB-CD1 4.48Å; V276-I278 HydrophobicContact CG1-CD1 4.18Å |
| 277 | K | 97.2 | Very high | 93.7 | Very high | 16 Ų | 16 | 40 Ų | 40 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 139 | 167.6 | 51.3 | 169.3 | -156.3 | 65.4 | 0 | 108.9 | V219 T221 T226 D230 | V219-K277 HydrophobicContact CG1-CB 3.7Å; V219-K277 HydrophobicContact CG1-CD 4.35Å; V219-K277 HydrophobicContact CG1-CG 3.67Å; T221-K277 VanDerWaalsContact CB-CE 3.46Å; T221-K277 HydrophobicContact CG2-CD 4.39Å; T221-K277 WeakPolarHBondContact OG1-CE 3.2Å; T226-K277 PolarHBondContact OG1-NZ 2.89Å; D230-K277 IonicContact OD1-NZ 3.47Å; D230-K277 WeakPolarHBondContact OD2-CB 3.35Å |
| 278 | I | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112.5 | 177.9 | -54.5 | -55.4 | 0 | 0 | 0 | 108.5 | D230 T231 G232 A234 V276 P280 D286 V289 L295 | D230-I278 WeakPolarHBondContact CA-O 3.4Å; T231-I278 PolarHBondContact N-O 3.13Å; G232-I278 PolarHBondContact N-O 3.21Å; G232-I278 PolarHBondContact O-N 3.03Å; A234-I278 HydrophobicContact CB-CD1 3.66Å; A234-I278 HydrophobicContact CB-CG1 3.83Å; V276-I278 HydrophobicContact CB-CD1 4.48Å; V276-I278 HydrophobicContact CG1-CD1 4.18Å; I278-P280 HydrophobicContact CG2-CG 3.85Å; I278-P280 WeakPolarHBondContact O-CD 3.48Å; I278-D286 HydrophobicContact CG2-CB 4.04Å; I278-V289 HydrophobicContact CD1-CB 4.12Å; I278-V289 HydrophobicContact CD1-CG1 3.74Å; I278-V289 HydrophobicContact CD1-CG2 4.26Å; I278-V289 HydrophobicContact CG1-CG1 3.96Å; I278-V289 HydrophobicContact CG2-CB 4.28Å; I278-V289 HydrophobicContact CG2-CG1 4.13Å; I278-L295 HydrophobicContact CB-CD1 4.12Å; I278-L295 HydrophobicContact CG2-CD1 3.68Å |
| 279 | T | 97.2 | Very high | 94 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | trans | -118.8 | 75.4 | 174.9 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | D230 A281 H282 D283 D286 | D230-T279 WeakPolarHBondContact OD1-CB 3.3Å; T279-A281 PolarHBondContact O-N 3.45Å; T279-H282 HydrophobicContact CG2-CB 4.32Å; T279-H282 PolarHBondContact O-N 3.49Å; T279-H282 PolarHBondContact OG1-CD2 2.78Å; T279-D283 HydrophobicContact CG2-CB 4.37Å; T279-D283 PolarHBondContact O-N 2.88Å; T279-D286 WeakPolarHBondContact CG2-OD2 3.16Å; T279-D286 PolarHBondContact N-OD2 3.25Å | ||
| 280 | P | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.6 | -168 | -28.6 | 37.6 | 0 | 0 | 0 | 115.9 | T231 I278 Y287 L295 M297 | T231-P280 WeakPolarHBondContact OG1-CD 3.42Å; T231-P280 WeakPolarHBondContact OG1-CG 3.45Å; I278-P280 HydrophobicContact CG2-CG 3.85Å; I278-P280 WeakPolarHBondContact O-CD 3.48Å; P280-Y287 WeakPolarHBondContact O-CB 3.33Å; P280-Y287 WeakPolarHBondContact O-CD2 3.29Å; P280-L295 HydrophobicContact CG-CB 4.35Å; P280-M297 HydrophobicContact CB-CB 4.15Å; P280-M297 HydrophobicContact CB-CG 3.79Å; P280-M297 HydrophobicContact CB-SD 4.41Å |
| 281 | A | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -2.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L172 T279 M297 I298 N299 L378 | L172-A281 VanDerWaalsContact CD2-O 3.31Å; L172-A281 WeakPolarHBondContact CD2-O 3.17Å; T279-A281 PolarHBondContact O-N 3.45Å; A281-M297 HydrophobicContact CB-CB 4.23Å; A281-I298 VanDerWaalsContact CB-C 3.45Å; A281-I298 VanDerWaalsContact CB-O 3.3Å; A281-I298 WeakPolarHBondContact CB-O 3.17Å; A281-N299 HydrophobicContact CB-CB 4.42Å; A281-L378 HydrophobicContact CB-CD1 3.5Å; A281-L378 VanDerWaalsContact CB-CD1 3.5Å; A281-L378 HydrophobicContact CB-CG 3.99Å |
| 282 | H | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 3.5 | -171.9 | -56.8 | -69 | 0 | 0 | 0 | 115.1 | R223 T226 T279 I298 N299 I300 P376 | R223-H282 PolarHBondContact NH1-O 3.1Å; T226-H282 HydrophobicContact CG2-CB 3.9Å; T279-H282 HydrophobicContact CG2-CB 4.32Å; T279-H282 PolarHBondContact O-N 3.49Å; T279-H282 PolarHBondContact OG1-CD2 2.78Å; H282-I298 PolarHBondContact NE2-O 3.18Å; H282-N299 PolarHBondContact CE1-OD1 3.36Å; H282-N299 VanDerWaalsContact CE1-OD1 3.26Å; H282-I300 PolarHBondContact CE1-N 3.44Å; H282-I300 VanDerWaalsContact NE2-CG1 3.26Å; H282-I300 WeakPolarHBondContact NE2-CG1 3.29Å; H282-I300 PolarHBondContact NE2-N 3.09Å; H282-I300 VanDerWaalsContact NE2-N 3.14Å; H282-P376 WeakPolarHBondContact O-CG 3.35Å |
| 283 | D | 95.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 27% | 0.273 | 15% | 0.153 | S | C | . | . | trans | -147.8 | 134.7 | 174.2 | -177.3 | -79 | 0 | 0 | 0 | 110.4 | L172 T279 N285 D286 Y287 | L172-D283 VanDerWaalsContact CD1-O 3.29Å; L172-D283 WeakPolarHBondContact CD1-O 3.28Å; T279-D283 HydrophobicContact CG2-CB 4.37Å; T279-D283 PolarHBondContact O-N 2.88Å; D283-N285 WeakPolarHBondContact OD1-CA 3.3Å; D283-N285 WeakPolarHBondContact OD1-CB 3.41Å; D283-N285 PolarHBondContact OD1-N 3.04Å; D283-D286 HydrophobicContact CB-CB 3.9Å; D283-D286 PolarHBondContact O-N 3.43Å; D283-D286 PolarHBondContact OD1-N 3.47Å; D283-Y287 WeakPolarHBondContact O-CB 3.5Å; D283-Y287 PolarHBondContact O-N 3.42Å | ||
| 284 | F | 94.4 | Very high | 96.2 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 31% | 0.311 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.3 | -34.8 | -175.7 | -72.5 | -77.8 | 0 | 0 | 0 | 113.5 | L172 N174 Y287 E288 P376 | L172-F284 HydrophobicContact CB-CD1 3.81Å; L172-F284 HydrophobicContact CB-CE1 3.58Å; L172-F284 HydrophobicContact CB-CZ 4.41Å; L172-F284 HydrophobicContact CD1-CD1 4.04Å; L172-F284 HydrophobicContact CD1-CE1 4.48Å; L172-F284 HydrophobicContact CD1-CG 4.34Å; N174-F284 WeakPolarHBondContact OD1-CE2 3.44Å; F284-Y287 WeakPolarHBondContact O-CB 3.38Å; F284-E288 PolarHBondContact O-N 3.25Å; F284-P376 HydrophobicContact CD2-CB 4.04Å; F284-P376 HydrophobicContact CD2-CG 3.97Å; F284-P376 HydrophobicContact CE2-CB 3.82Å; F284-P376 HydrophobicContact CE2-CG 3.87Å; F284-P376 HydrophobicContact CZ-CB 4.28Å |
| 285 | N | 94.8 | Very high | 96.4 | Very high | 91 Ų | 91 | 35.1 Ų | 35.1 | 49% | 0.487 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -72.2 | -43.7 | 176.6 | -58.1 | -63.1 | 0 | 0 | 0 | 109.9 | H266 D283 Y287 E288 V289 | H266-N285 WeakPolarHBondContact CE1-CB 3.35Å; D283-N285 WeakPolarHBondContact OD1-CA 3.3Å; D283-N285 WeakPolarHBondContact OD1-CB 3.41Å; D283-N285 PolarHBondContact OD1-N 3.04Å; N285-Y287 PolarHBondContact O-N 2.98Å; N285-E288 PolarHBondContact O-N 3Å; N285-E288 VanDerWaalsContact O-N 3.12Å; N285-V289 WeakPolarHBondContact O-CG2 3.38Å; N285-V289 PolarHBondContact O-N 3.42Å |
| 286 | D | 96.7 | Very high | 96.5 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -32.2 | 176 | -69.6 | -9.3 | 0 | 0 | 0 | 112.1 | I278 T279 D283 G290 | I278-D286 HydrophobicContact CG2-CB 4.04Å; T279-D286 WeakPolarHBondContact CG2-OD2 3.16Å; T279-D286 PolarHBondContact N-OD2 3.25Å; D283-D286 HydrophobicContact CB-CB 3.9Å; D283-D286 PolarHBondContact O-N 3.43Å; D283-D286 PolarHBondContact OD1-N 3.47Å; D286-G290 WeakPolarHBondContact O-CA 3.34Å; D286-G290 PolarHBondContact O-N 2.85Å |
| 287 | Y | 96 | Very high | 96.5 | Very high | 15 Ų | 15 | 34 Ų | 34 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 173.2 | 176.4 | -99 | 0 | 0 | 0 | 111.6 | L172 P280 D283 F284 N285 G290 K291 M297 L378 | L172-Y287 HydrophobicContact CB-CD2 4.46Å; L172-Y287 HydrophobicContact CB-CG 4.49Å; L172-Y287 VanDerWaalsContact CD1-CB 3.44Å; L172-Y287 HydrophobicContact CD1-CD2 4.07Å; L172-Y287 HydrophobicContact CD1-CG 3.85Å; L172-Y287 HydrophobicContact CG-CD2 3.81Å; L172-Y287 HydrophobicContact CG-CE2 4.42Å; L172-Y287 HydrophobicContact CG-CG 4.02Å; P280-Y287 WeakPolarHBondContact O-CB 3.33Å; P280-Y287 WeakPolarHBondContact O-CD2 3.29Å; D283-Y287 WeakPolarHBondContact O-CB 3.5Å; D283-Y287 PolarHBondContact O-N 3.42Å; F284-Y287 WeakPolarHBondContact O-CB 3.38Å; N285-Y287 PolarHBondContact O-N 2.98Å; Y287-G290 PolarHBondContact O-N 3.15Å; Y287-K291 HydrophobicContact CD1-CD 3.98Å; Y287-K291 HydrophobicContact CE1-CD 3.44Å; Y287-K291 VanDerWaalsContact CE1-CD 3.44Å; Y287-K291 HydrophobicContact CE2-CD 4.34Å; Y287-K291 WeakPolarHBondContact O-CG 3.25Å; Y287-K291 PolarHBondContact O-N 3.34Å; Y287-M297 HydrophobicContact CD2-SD 3.66Å; Y287-M297 HydrophobicContact CE2-CE 4.3Å; Y287-M297 HydrophobicContact CE2-SD 3.48Å; Y287-M297 WeakPolarHBondContact CE2-SD 3.41Å; Y287-L378 HydrophobicContact CD2-CD2 4.46Å; Y287-L378 HydrophobicContact CE2-CD2 4.16Å |
| 288 | E | 95.3 | Very high | 96.6 | Very high | 84 Ų | 84 | 33.2 Ų | 33.2 | 39% | 0.393 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.8 | -39.7 | 177.4 | -68.7 | -55.6 | 133.1 | 0 | 0 | 112.4 | F284 N285 G290 K291 R292 | F284-E288 PolarHBondContact O-N 3.25Å; N285-E288 PolarHBondContact O-N 3Å; N285-E288 VanDerWaalsContact O-N 3.12Å; E288-G290 VanDerWaalsContact C-N 3.33Å; E288-K291 PolarHBondContact O-N 3.48Å; E288-R292 WeakPolarHBondContact O-CG 3.38Å; E288-R292 PolarHBondContact O-N 3.07Å; E288-R292 PolarHBondContact O-NH1 3Å |
| 289 | V | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 170.4 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | A234 D264 H266 I278 N285 K291 R292 H293 | A234-V289 HydrophobicContact CB-CG1 4.47Å; D264-V289 HydrophobicContact CB-CG1 4.14Å; H266-V289 HydrophobicContact CB-CG2 3.7Å; I278-V289 HydrophobicContact CD1-CB 4.12Å; I278-V289 HydrophobicContact CD1-CG1 3.74Å; I278-V289 HydrophobicContact CD1-CG2 4.26Å; I278-V289 HydrophobicContact CG1-CG1 3.96Å; I278-V289 HydrophobicContact CG2-CB 4.28Å; I278-V289 HydrophobicContact CG2-CG1 4.13Å; N285-V289 WeakPolarHBondContact O-CG2 3.38Å; N285-V289 PolarHBondContact O-N 3.42Å; V289-K291 VanDerWaalsContact C-N 3.29Å; V289-K291 PolarHBondContact O-N 2.76Å; V289-R292 VanDerWaalsContact CG2-NH2 3.3Å; V289-R292 PolarHBondContact O-N 2.9Å; V289-H293 PolarHBondContact O-CD2 3.36Å; V289-H293 PolarHBondContact O-N 3.17Å |
| 290 | G | 96.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.4 | -40.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D286 Y287 E288 H293 A294 L295 T316 | D286-G290 WeakPolarHBondContact O-CA 3.34Å; D286-G290 PolarHBondContact O-N 2.85Å; Y287-G290 PolarHBondContact O-N 3.15Å; E288-G290 VanDerWaalsContact C-N 3.33Å; G290-H293 CarbonylContact O-C 3.59Å; G290-A294 CarbonylContact O-C 3.54Å; G290-A294 WeakPolarHBondContact O-CA 3.46Å; G290-A294 PolarHBondContact O-N 3.23Å; G290-L295 PolarHBondContact O-N 3.02Å; G290-T316 WeakPolarHBondContact O-CG2 3.23Å |
| 291 | K | 95.1 | Very high | 96.7 | Very high | 77 Ų | 77 | 33.1 Ų | 33.1 | 34% | 0.335 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 174.3 | -72.7 | 174.2 | 79.9 | -174.5 | 0 | 112.7 | Y287 E288 V289 H293 A294 | Y287-K291 HydrophobicContact CD1-CD 3.98Å; Y287-K291 HydrophobicContact CE1-CD 3.44Å; Y287-K291 VanDerWaalsContact CE1-CD 3.44Å; Y287-K291 HydrophobicContact CE2-CD 4.34Å; Y287-K291 WeakPolarHBondContact O-CG 3.25Å; Y287-K291 PolarHBondContact O-N 3.34Å; E288-K291 PolarHBondContact O-N 3.48Å; V289-K291 VanDerWaalsContact C-N 3.29Å; V289-K291 PolarHBondContact O-N 2.76Å; K291-H293 VanDerWaalsContact C-N 3.25Å; K291-H293 PolarHBondContact O-N 2.88Å; K291-A294 PolarHBondContact O-N 3.49Å |
| 292 | R | 96.8 | Very high | 96.7 | Very high | 138 Ų | 138 | 34.8 Ų | 34.8 | 52% | 0.521 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.7 | -36.6 | 178 | -72.7 | -169.8 | -63.4 | -89.1 | 11.1 | 112.6 | D264 E288 V289 | D264-R292 VanDerWaalsContact CG-NH2 3.3Å; D264-R292 IonicContact OD1-CZ 3.84Å; D264-R292 IonicContact OD1-NE 2.69Å; D264-R292 IonicContact OD1-NH2 3.1Å; D264-R292 PolarHBondContact OD1-NH2 3.46Å; D264-R292 IonicContact OD2-CZ 3.96Å; D264-R292 VanDerWaalsContact OD2-CZ 3.28Å; D264-R292 IonicContact OD2-NE 3.88Å; D264-R292 PolarHBondContact OD2-NE 3.04Å; D264-R292 IonicContact OD2-NH2 3.26Å; D264-R292 PolarHBondContact OD2-NH2 2.97Å; E288-R292 WeakPolarHBondContact O-CG 3.38Å; E288-R292 PolarHBondContact O-N 3.07Å; E288-R292 PolarHBondContact O-NH1 3Å; V289-R292 VanDerWaalsContact CG2-NH2 3.3Å; V289-R292 PolarHBondContact O-N 2.9Å |
| 293 | H | 97.5 | Very high | 96.6 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 9.8 | -177.1 | -68 | -71.4 | 0 | 0 | 0 | 114.8 | V262 G263 D264 V289 G290 K291 L295 | V262-H293 HydrophobicContact CB-CB 4.42Å; V262-H293 HydrophobicContact CG1-CB 4.13Å; G263-H293 PolarHBondContact O-CE1 3.48Å; G263-H293 PolarHBondContact O-NE2 3.27Å; D264-H293 WeakPolarHBondContact CB-NE2 3.34Å; D264-H293 IonicContact OD2-CD2 2.66Å; D264-H293 PolarHBondContact OD2-CD2 3.39Å; D264-H293 IonicContact OD2-NE2 3.77Å; D264-H293 PolarHBondContact OD2-NE2 3.17Å; D264-H293 VanDerWaalsContact OD2-NE2 3.08Å; V289-H293 PolarHBondContact O-CD2 3.36Å; V289-H293 PolarHBondContact O-N 3.17Å; G290-H293 CarbonylContact O-C 3.59Å; K291-H293 VanDerWaalsContact C-N 3.25Å; K291-H293 PolarHBondContact O-N 2.88Å; H293-L295 HydrophobicContact CB-CD1 4.3Å; H293-L295 HydrophobicContact CB-CD2 4.38Å; H293-L295 HydrophobicContact CB-CG 3.92Å; H293-L295 PolarHBondContact O-N 2.93Å |
| 294 | A | 96.6 | Very high | 96.6 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 60% | 0.595 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | G290 K291 | G290-A294 CarbonylContact O-C 3.54Å; G290-A294 WeakPolarHBondContact O-CA 3.46Å; G290-A294 PolarHBondContact O-N 3.23Å; K291-A294 PolarHBondContact O-N 3.49Å |
| 295 | L | 97.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | trans | -76.5 | 135.8 | 179.1 | -58.1 | 177.4 | 0 | 0 | 0 | 110.2 | P260 V262 I278 P280 G290 H293 T316 | P260-L295 HydrophobicContact CG-CD2 3.65Å; V262-L295 HydrophobicContact CG1-CD2 4.24Å; I278-L295 HydrophobicContact CB-CD1 4.12Å; I278-L295 HydrophobicContact CG2-CD1 3.68Å; P280-L295 HydrophobicContact CG-CB 4.35Å; G290-L295 PolarHBondContact O-N 3.02Å; H293-L295 HydrophobicContact CB-CD1 4.3Å; H293-L295 HydrophobicContact CB-CD2 4.38Å; H293-L295 HydrophobicContact CB-CG 3.92Å; H293-L295 PolarHBondContact O-N 2.93Å; L295-T316 VanDerWaalsContact O-CG2 3.31Å; L295-T316 WeakPolarHBondContact O-CG2 3.28Å | ||
| 296 | P | 96.8 | Very high | 96.8 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | trans | -59.8 | 154 | 174 | -23.9 | 35.6 | 0 | 0 | 0 | 111.6 | T231 V313 F314 V323 Y324 | T231-P296 VanDerWaalsContact CB-O 3.26Å; T231-P296 WeakPolarHBondContact CB-O 3.29Å; T231-P296 HydrophobicContact CG2-CB 4.39Å; T231-P296 WeakPolarHBondContact CG2-O 3.42Å; T231-P296 PolarHBondContact OG1-O 3.15Å; P296-V313 HydrophobicContact CB-CG1 4.43Å; P296-F314 CarbonylContact C-O 3.57Å; P296-F314 WeakPolarHBondContact CA-O 3.37Å; P296-V323 HydrophobicContact CB-CG1 3.73Å; P296-V323 HydrophobicContact CG-CG1 3.38Å; P296-Y324 HydrophobicContact CB-CD2 3.94Å; P296-Y324 HydrophobicContact CB-CE2 4.13Å; P296-Y324 HydrophobicContact CG-CD2 3.85Å; P296-Y324 HydrophobicContact CG-CE2 3.65Å | ||
| 297 | M | 97.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.1 | 179.1 | -43 | -169.7 | -84.1 | 0 | 0 | 109.6 | P280 A281 Y287 F314 D315 L378 | P280-M297 HydrophobicContact CB-CB 4.15Å; P280-M297 HydrophobicContact CB-CG 3.79Å; P280-M297 HydrophobicContact CB-SD 4.41Å; A281-M297 HydrophobicContact CB-CB 4.23Å; Y287-M297 HydrophobicContact CD2-SD 3.66Å; Y287-M297 HydrophobicContact CE2-CE 4.3Å; Y287-M297 HydrophobicContact CE2-SD 3.48Å; Y287-M297 WeakPolarHBondContact CE2-SD 3.41Å; M297-F314 HydrophobicContact CB-CB 4.49Å; M297-F314 HydrophobicContact CE-CB 4.24Å; M297-F314 PolarHBondContact N-O 3.47Å; M297-F314 PolarHBondContact O-N 3.23Å; M297-D315 WeakPolarHBondContact CE-O 3.5Å; M297-L378 HydrophobicContact CB-CD1 3.72Å; M297-L378 HydrophobicContact CE-CD1 4.26Å; M297-L378 HydrophobicContact CE-CD2 4.12Å; M297-L378 HydrophobicContact SD-CD1 4.19Å; M297-L378 HydrophobicContact SD-CD2 3.96Å |
| 298 | I | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 102.3 | -176.3 | -60.1 | -179 | 0 | 0 | 0 | 110.1 | T231 A281 H282 I300 A311 Q312 V313 Y324 | T231-I298 HydrophobicContact CG2-CB 4.36Å; T231-I298 HydrophobicContact CG2-CD1 3.44Å; T231-I298 VanDerWaalsContact CG2-CD1 3.44Å; T231-I298 HydrophobicContact CG2-CG1 3.57Å; A281-I298 VanDerWaalsContact CB-C 3.45Å; A281-I298 VanDerWaalsContact CB-O 3.3Å; A281-I298 WeakPolarHBondContact CB-O 3.17Å; H282-I298 PolarHBondContact NE2-O 3.18Å; I298-I300 HydrophobicContact CG2-CG2 4.02Å; I298-I300 PolarHBondContact O-N 3.41Å; I298-A311 HydrophobicContact CG2-CB 3.61Å; I298-Q312 CarbonylContact C-O 3.44Å; I298-Q312 WeakPolarHBondContact CA-O 3.46Å; I298-V313 HydrophobicContact CG1-CG1 4.2Å; I298-V313 HydrophobicContact CG1-CG2 4.12Å; I298-V313 HydrophobicContact CG2-CG2 4.49Å; I298-Y324 HydrophobicContact CD1-CD2 3.99Å; I298-Y324 HydrophobicContact CD1-CG 4.33Å |
| 299 | N | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 109.6 | 173.7 | -176.8 | 16.4 | 0 | 0 | 0 | 110.6 | A281 H282 L301 A311 Q312 F314 | A281-N299 HydrophobicContact CB-CB 4.42Å; H282-N299 PolarHBondContact CE1-OD1 3.36Å; H282-N299 VanDerWaalsContact CE1-OD1 3.26Å; N299-L301 PolarHBondContact ND2-O 3.05Å; N299-L301 PolarHBondContact OD1-N 2.97Å; N299-L301 PolarHBondContact OD1-O 2.82Å; N299-L301 VanDerWaalsContact OD1-O 3.09Å; N299-A311 VanDerWaalsContact O-CA 3.29Å; N299-A311 WeakPolarHBondContact O-CA 3.33Å; N299-Q312 HydrophobicContact CB-CB 4.23Å; N299-Q312 PolarHBondContact N-O 3.04Å; N299-Q312 PolarHBondContact ND2-OE1 2.77Å; N299-Q312 VanDerWaalsContact ND2-OE1 3.08Å; N299-Q312 PolarHBondContact O-N 3.2Å; N299-F314 HydrophobicContact CB-CE2 4.44Å |
| 300 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -9.6 | 176.9 | 58.1 | 137.5 | 0 | 0 | 0 | 112.8 | E225 L228 H282 I298 I307 R308 A311 I328 | E225-I300 WeakPolarHBondContact O-CD1 3.36Å; L228-I300 HydrophobicContact CB-CD1 4.46Å; L228-I300 HydrophobicContact CB-CG2 4.04Å; H282-I300 PolarHBondContact CE1-N 3.44Å; H282-I300 VanDerWaalsContact NE2-CG1 3.26Å; H282-I300 WeakPolarHBondContact NE2-CG1 3.29Å; H282-I300 PolarHBondContact NE2-N 3.09Å; H282-I300 VanDerWaalsContact NE2-N 3.14Å; I298-I300 HydrophobicContact CG2-CG2 4.02Å; I298-I300 PolarHBondContact O-N 3.41Å; I300-I307 HydrophobicContact CD1-CD1 3.72Å; I300-I307 CarbonylContact O-C 3.58Å; I300-I307 WeakPolarHBondContact O-CA 3.49Å; I300-R308 PolarHBondContact O-N 2.92Å; I300-A311 HydrophobicContact CG2-CB 4.37Å; I300-I328 HydrophobicContact CB-CD1 4.42Å; I300-I328 HydrophobicContact CG2-CD1 4.4Å |
| 301 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.7 | -173.9 | -63.3 | -179.2 | 0 | 0 | 0 | 111.3 | N299 D306 I307 R308 R337 M377 | N299-L301 PolarHBondContact ND2-O 3.05Å; N299-L301 PolarHBondContact OD1-N 2.97Å; N299-L301 PolarHBondContact OD1-O 2.82Å; N299-L301 VanDerWaalsContact OD1-O 3.09Å; L301-D306 CarbonylContact C-O 3.58Å; L301-D306 VanDerWaalsContact CA-O 3.27Å; L301-D306 WeakPolarHBondContact CA-O 3.45Å; L301-I307 HydrophobicContact CD2-CD1 4Å; L301-R308 WeakPolarHBondContact O-CD 3.49Å; L301-R308 PolarHBondContact O-NE 3.44Å; L301-R337 HydrophobicContact CD2-CB 4.48Å; L301-M377 HydrophobicContact CB-CE 3.62Å; L301-M377 HydrophobicContact CB-SD 4.39Å; L301-M377 HydrophobicContact CD1-CE 4.35Å |
| 302 | T | 97.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 39 Ų | 39 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | trans | -76.4 | 169.4 | 163.4 | 69.1 | 0 | 0 | 0 | 0 | 109 | D304 G305 D306 R308 M377 | T302-D304 PolarHBondContact O-N 2.9Å; T302-D304 PolarHBondContact OG1-N 3.27Å; T302-G305 PolarHBondContact O-N 2.85Å; T302-D306 HydrophobicContact CG2-CB 4.38Å; T302-D306 PolarHBondContact N-O 3.43Å; T302-D306 PolarHBondContact OG1-N 3.41Å; T302-D306 VanDerWaalsContact OG1-N 3.09Å; T302-D306 PolarHBondContact OG1-O 3.46Å; T302-R308 HydrophobicContact CG2-CG 3.77Å; T302-M377 VanDerWaalsContact O-CE 3.28Å; T302-M377 WeakPolarHBondContact O-CE 3.31Å | ||
| 303 | F | 95.5 | Very high | 97.3 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 40% | 0.399 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.9 | 172.6 | -66.8 | -37.8 | 0 | 0 | 0 | 114 | W175 P177 G305 M377 T379 | W175-F303 AromaticContact CE2-CD1 3.92Å; W175-F303 HydrophobicContact CH2-CD1 4.21Å; W175-F303 HydrophobicContact CH2-CG 4.42Å; W175-F303 HydrophobicContact CZ2-CB 3.75Å; W175-F303 AromaticContact CZ2-CD1 3.7Å; W175-F303 HydrophobicContact CZ2-CD1 3.7Å; W175-F303 HydrophobicContact CZ2-CE1 4.48Å; W175-F303 AromaticContact CZ2-CG 3.76Å; W175-F303 HydrophobicContact CZ2-CG 3.76Å; W175-F303 PolarHBondContact NE1-O 3.14Å; P177-F303 WeakPolarHBondContact CA-O 3.45Å; F303-G305 VanDerWaalsContact C-N 3.28Å; F303-M377 HydrophobicContact CD1-CG 4.21Å; F303-M377 HydrophobicContact CD1-SD 4.46Å; F303-M377 HydrophobicContact CE1-CG 4.25Å; F303-T379 HydrophobicContact CE1-CG2 3.96Å |
| 304 | D | 95.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 30 Ų | 30 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.1 | 171.1 | -62.3 | -59.7 | 0 | 0 | 0 | 112.8 | P177 R180 T302 D306 | P177-D304 WeakPolarHBondContact CB-O 3.32Å; R180-D304 IonicContact CZ-OD1 2.63Å; R180-D304 IonicContact CZ-OD2 2.66Å; R180-D304 IonicContact NE-OD1 2.88Å; R180-D304 PolarHBondContact NE-OD1 2.84Å; R180-D304 IonicContact NE-OD2 2.89Å; R180-D304 IonicContact NH2-OD1 3.9Å; R180-D304 PolarHBondContact NH2-OD1 3.48Å; R180-D304 IonicContact NH2-OD2 3.18Å; R180-D304 PolarHBondContact NH2-OD2 2.92Å; T302-D304 PolarHBondContact O-N 2.9Å; T302-D304 PolarHBondContact OG1-N 3.27Å; D304-D306 VanDerWaalsContact C-N 3.35Å |
| 305 | G | 95.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 77.9 | 19.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T302 F303 R337 | T302-G305 PolarHBondContact O-N 2.85Å; F303-G305 VanDerWaalsContact C-N 3.28Å; G305-R337 WeakPolarHBondContact O-CB 3.43Å; G305-R337 WeakPolarHBondContact O-CD 3.12Å; G305-R337 VanDerWaalsContact O-CG 3.31Å; G305-R337 WeakPolarHBondContact O-CG 3.25Å; G305-R337 PolarHBondContact O-N 3.34Å |
| 306 | D | 97.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 30.6 Ų | 30.6 | 25% | 0.251 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -92.5 | 158.2 | 173.9 | -58.3 | -27.2 | 0 | 0 | 0 | 110.6 | L301 T302 D304 R308 L335 E336 | L301-D306 CarbonylContact C-O 3.58Å; L301-D306 VanDerWaalsContact CA-O 3.27Å; L301-D306 WeakPolarHBondContact CA-O 3.45Å; T302-D306 HydrophobicContact CG2-CB 4.38Å; T302-D306 PolarHBondContact N-O 3.43Å; T302-D306 PolarHBondContact OG1-N 3.41Å; T302-D306 VanDerWaalsContact OG1-N 3.09Å; T302-D306 PolarHBondContact OG1-O 3.46Å; D304-D306 VanDerWaalsContact C-N 3.35Å; D306-R308 PolarHBondContact O-N 3.23Å; D306-L335 CarbonylContact C-O 3.56Å; D306-L335 WeakPolarHBondContact CA-O 3.45Å; D306-E336 VanDerWaalsContact OD1-CA 3.28Å; D306-E336 WeakPolarHBondContact OD1-CA 3.2Å |
| 307 | I | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.3 | 173.6 | -55.9 | -64.2 | 0 | 0 | 0 | 110 | L228 I300 L301 I328 F332 K334 L335 A340 | L228-I307 HydrophobicContact CD1-CD1 4.35Å; L228-I307 HydrophobicContact CD1-CG2 4.4Å; I300-I307 HydrophobicContact CD1-CD1 3.72Å; I300-I307 CarbonylContact O-C 3.58Å; I300-I307 WeakPolarHBondContact O-CA 3.49Å; L301-I307 HydrophobicContact CD2-CD1 4Å; I307-I328 HydrophobicContact CG2-CD1 4.12Å; I307-I328 HydrophobicContact CG2-CG2 3.82Å; I307-F332 WeakPolarHBondContact CB-O 3.26Å; I307-F332 VanDerWaalsContact CG2-O 3.27Å; I307-F332 WeakPolarHBondContact CG2-O 3.03Å; I307-K334 WeakPolarHBondContact O-CA 3.33Å; I307-K334 PolarHBondContact O-N 3.27Å; I307-L335 HydrophobicContact CG1-CB 4.42Å; I307-L335 PolarHBondContact N-O 2.9Å; I307-A340 HydrophobicContact CD1-CB 3.82Å; I307-A340 HydrophobicContact CG1-CB 3.42Å; I307-A340 VanDerWaalsContact CG1-CB 3.42Å |
| 308 | R | 98.2 | Very high | 96 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 157.4 | 176.4 | -71 | 174.9 | 149.7 | -100.6 | -2.7 | 112.2 | I300 L301 T302 D306 S310 Q312 I328 | I300-R308 PolarHBondContact O-N 2.92Å; L301-R308 WeakPolarHBondContact O-CD 3.49Å; L301-R308 PolarHBondContact O-NE 3.44Å; T302-R308 HydrophobicContact CG2-CG 3.77Å; D306-R308 PolarHBondContact O-N 3.23Å; R308-S310 VanDerWaalsContact CB-O 3.26Å; R308-S310 WeakPolarHBondContact CB-O 3.41Å; R308-Q312 VanDerWaalsContact CZ-OE1 3.25Å; R308-Q312 VanDerWaalsContact NH1-CG 3.3Å; R308-Q312 VanDerWaalsContact NH2-CD 3.28Å; R308-I328 HydrophobicContact CB-CD1 4.01Å; R308-I328 VanDerWaalsContact O-CD1 3.25Å; R308-I328 WeakPolarHBondContact O-CD1 3.27Å |
| 309 | E | 97.7 | Very high | 95.7 | Very high | 112 Ų | 112 | 42.3 Ų | 42.3 | 52% | 0.523 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | -39.8 | 164.5 | -91.3 | 177.6 | 146.1 | 0 | 0 | 111.8 | Q333 K334 | E309-Q333 HydrophobicContact CG-CB 4.41Å; E309-Q333 PolarHBondContact O-NE2 2.73Å; E309-K334 VanDerWaalsContact CD-NZ 3.34Å; E309-K334 HydrophobicContact CG-CD 4.41Å; E309-K334 HydrophobicContact CG-CG 4.17Å; E309-K334 WeakPolarHBondContact OE1-CE 3.3Å; E309-K334 IonicContact OE1-NZ 3.54Å; E309-K334 PolarHBondContact OE1-NZ 2.9Å; E309-K334 IonicContact OE2-NZ 2.84Å |
| 310 | S | 97.1 | Very high | 95.5 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 131.7 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | R308 S326 | R308-S310 VanDerWaalsContact CB-O 3.26Å; R308-S310 WeakPolarHBondContact CB-O 3.41Å; S310-S326 CarbonylContact C-O 3.52Å; S310-S326 WeakPolarHBondContact CA-O 3.49Å; S310-S326 WeakPolarHBondContact OG-CB 3.25Å; S310-S326 PolarHBondContact OG-O 3.21Å; S310-S326 VanDerWaalsContact OG-O 3.13Å; S310-S326 PolarHBondContact OG-OG 3.3Å |
| 311 | A | 97.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 159.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I298 N299 I300 S326 I328 | I298-A311 HydrophobicContact CG2-CB 3.61Å; N299-A311 VanDerWaalsContact O-CA 3.29Å; N299-A311 WeakPolarHBondContact O-CA 3.33Å; I300-A311 HydrophobicContact CG2-CB 4.37Å; A311-S326 PolarHBondContact N-O 3.21Å; A311-S326 VanDerWaalsContact O-CB 3.31Å; A311-S326 WeakPolarHBondContact O-CB 3.48Å; A311-I328 HydrophobicContact CB-CD1 3.99Å; A311-I328 HydrophobicContact CB-CG1 4.16Å |
| 312 | Q | 97.3 | Very high | 95.2 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136 | 165 | -53.9 | 174 | -70.3 | 0 | 0 | 108.2 | I298 N299 R308 F314 | I298-Q312 CarbonylContact C-O 3.44Å; I298-Q312 WeakPolarHBondContact CA-O 3.46Å; N299-Q312 HydrophobicContact CB-CB 4.23Å; N299-Q312 PolarHBondContact N-O 3.04Å; N299-Q312 PolarHBondContact ND2-OE1 2.77Å; N299-Q312 VanDerWaalsContact ND2-OE1 3.08Å; N299-Q312 PolarHBondContact O-N 3.2Å; R308-Q312 VanDerWaalsContact CZ-OE1 3.25Å; R308-Q312 VanDerWaalsContact NH1-CG 3.3Å; R308-Q312 VanDerWaalsContact NH2-CD 3.28Å; Q312-F314 HydrophobicContact CB-CD2 4.34Å; Q312-F314 HydrophobicContact CB-CE2 3.43Å; Q312-F314 VanDerWaalsContact CB-CE2 3.43Å; Q312-F314 HydrophobicContact CB-CZ 3.6Å; Q312-F314 HydrophobicContact CG-CE2 4.48Å; Q312-F314 HydrophobicContact CG-CZ 4.38Å |
| 313 | V | 97.6 | Very high | 95 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.9 | -177.3 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | P296 I298 E320 S321 V323 | P296-V313 HydrophobicContact CB-CG1 4.43Å; I298-V313 HydrophobicContact CG1-CG1 4.2Å; I298-V313 HydrophobicContact CG1-CG2 4.12Å; I298-V313 HydrophobicContact CG2-CG2 4.49Å; V313-E320 WeakPolarHBondContact O-CA 3.46Å; V313-S321 VanDerWaalsContact CB-O 3.31Å; V313-S321 WeakPolarHBondContact CB-O 3.38Å; V313-S321 PolarHBondContact O-N 3.45Å; V313-V323 HydrophobicContact CG1-CG1 4.23Å |
| 314 | F | 96.8 | Very high | 95 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153 | -177.8 | -55.7 | -76.3 | 0 | 0 | 0 | 111.8 | K170 P296 M297 N299 Q312 G318 N319 E320 L378 | K170-F314 HydrophobicContact CD-CD1 3.76Å; K170-F314 HydrophobicContact CD-CD2 3.98Å; K170-F314 HydrophobicContact CD-CE1 3.74Å; K170-F314 HydrophobicContact CD-CE2 3.92Å; K170-F314 HydrophobicContact CD-CG 3.9Å; K170-F314 HydrophobicContact CD-CZ 3.8Å; P296-F314 CarbonylContact C-O 3.57Å; P296-F314 WeakPolarHBondContact CA-O 3.37Å; M297-F314 HydrophobicContact CB-CB 4.49Å; M297-F314 HydrophobicContact CE-CB 4.24Å; M297-F314 PolarHBondContact N-O 3.47Å; M297-F314 PolarHBondContact O-N 3.23Å; N299-F314 HydrophobicContact CB-CE2 4.44Å; Q312-F314 HydrophobicContact CB-CD2 4.34Å; Q312-F314 HydrophobicContact CB-CE2 3.43Å; Q312-F314 VanDerWaalsContact CB-CE2 3.43Å; Q312-F314 HydrophobicContact CB-CZ 3.6Å; Q312-F314 HydrophobicContact CG-CE2 4.48Å; Q312-F314 HydrophobicContact CG-CZ 4.38Å; F314-G318 WeakPolarHBondContact CD1-O 3.48Å; F314-N319 CarbonylContact C-O 3.51Å; F314-N319 WeakPolarHBondContact CA-O 3.42Å; F314-N319 WeakPolarHBondContact CB-O 3.46Å; F314-E320 HydrophobicContact CD1-CG 4.18Å; F314-E320 HydrophobicContact CE1-CG 3.8Å; F314-L378 HydrophobicContact CD2-CD1 3.9Å; F314-L378 HydrophobicContact CE2-CD1 4.43Å |
| 315 | D | 95 | Very high | 94.9 | Very high | 49 Ų | 49 | 60 Ų | 60 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | trans | -76.7 | 174.7 | 163.3 | 74.2 | 9.7 | 0 | 0 | 0 | 111 | M297 K317 G318 N319 | M297-D315 WeakPolarHBondContact CE-O 3.5Å; D315-K317 PolarHBondContact O-N 2.95Å; D315-K317 VanDerWaalsContact O-N 3.14Å; D315-K317 VanDerWaalsContact OD1-C 3.31Å; D315-K317 VanDerWaalsContact OD1-CA 3.29Å; D315-K317 WeakPolarHBondContact OD1-CA 3.4Å; D315-K317 VanDerWaalsContact OD1-CB 3.32Å; D315-K317 WeakPolarHBondContact OD1-CB 3.33Å; D315-K317 PolarHBondContact OD1-N 3.44Å; D315-G318 PolarHBondContact O-N 3.41Å; D315-G318 PolarHBondContact OD1-N 2.76Å; D315-N319 PolarHBondContact N-O 2.67Å; D315-N319 PolarHBondContact OD1-N 2.75Å; D315-N319 PolarHBondContact OD1-ND2 3.13Å; D315-N319 PolarHBondContact OD2-ND2 2.97Å | ||
| 316 | T | 91.5 | Very high | 94.9 | Very high | 41 Ų | 41 | 62.5 Ų | 62.5 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -6.6 | 179.5 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | G290 L295 | G290-T316 WeakPolarHBondContact O-CG2 3.23Å; L295-T316 VanDerWaalsContact O-CG2 3.31Å; L295-T316 WeakPolarHBondContact O-CG2 3.28Å |
| 317 | K | 86.9 | Confident | 94.8 | Very high | 168 Ų | 168 | 66.9 Ų | 66.9 | 73% | 0.73 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.9 | 172.4 | -60.1 | 177.8 | -180 | 178.3 | 0 | 111.9 | D315 | D315-K317 PolarHBondContact O-N 2.95Å; D315-K317 VanDerWaalsContact O-N 3.14Å; D315-K317 VanDerWaalsContact OD1-C 3.31Å; D315-K317 VanDerWaalsContact OD1-CA 3.29Å; D315-K317 WeakPolarHBondContact OD1-CA 3.4Å; D315-K317 VanDerWaalsContact OD1-CB 3.32Å; D315-K317 WeakPolarHBondContact OD1-CB 3.33Å; D315-K317 PolarHBondContact OD1-N 3.44Å |
| 318 | G | 89 | Confident | 94.7 | Very high | 8 Ų | 8 | 67 Ų | 67 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 90 | 6.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K170 F314 D315 | K170-G318 WeakPolarHBondContact CE-O 3.26Å; F314-G318 WeakPolarHBondContact CD1-O 3.48Å; D315-G318 PolarHBondContact O-N 3.41Å; D315-G318 PolarHBondContact OD1-N 2.76Å |
| 319 | N | 92 | Very high | 94.6 | Very high | 89 Ų | 89 | 65.2 Ų | 65.2 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | trans | -79.6 | 146.8 | 176 | -51.5 | -59.5 | 0 | 0 | 0 | 110.1 | F314 D315 | F314-N319 CarbonylContact C-O 3.51Å; F314-N319 WeakPolarHBondContact CA-O 3.42Å; F314-N319 WeakPolarHBondContact CB-O 3.46Å; D315-N319 PolarHBondContact N-O 2.67Å; D315-N319 PolarHBondContact OD1-N 2.75Å; D315-N319 PolarHBondContact OD1-ND2 3.13Å; D315-N319 PolarHBondContact OD2-ND2 2.97Å | ||
| 320 | E | 93.3 | Very high | 94.6 | Very high | 169 Ų | 169 | 63.4 Ų | 63.4 | 79% | 0.79 | 35% | 0.351 | S | S | * | . | B | Isolated β-bridge | trans | -57.8 | 139.8 | 172.5 | -68.2 | -173 | 170.8 | 0 | 0 | 110.9 | V313 F314 | V313-E320 WeakPolarHBondContact O-CA 3.46Å; F314-E320 HydrophobicContact CD1-CG 4.18Å; F314-E320 HydrophobicContact CE1-CG 3.8Å |
| 321 | S | 94.2 | Very high | 94.6 | Very high | 36 Ų | 36 | 66.9 Ų | 66.9 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | trans | -136.1 | 142.8 | -177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | V313 V323 | V313-S321 VanDerWaalsContact CB-O 3.31Å; V313-S321 WeakPolarHBondContact CB-O 3.38Å; V313-S321 PolarHBondContact O-N 3.45Å; S321-V323 WeakPolarHBondContact OG-CB 3.35Å; S321-V323 VanDerWaalsContact OG-CG1 3.23Å; S321-V323 WeakPolarHBondContact OG-CG1 3.47Å; S321-V323 PolarHBondContact OG-N 3.41Å | ||
| 322 | D | 94.6 | Very high | 94.6 | Very high | 155 Ų | 155 | 66.8 Ų | 66.8 | 83% | 0.829 | 36% | 0.36 | S | S | * | . | trans | -103.4 | 10.3 | 175.4 | 61.6 | -11 | 0 | 0 | 0 | 112.5 | Y324 | D322-Y324 PolarHBondContact O-N 3.46Å; D322-Y324 VanDerWaalsContact O-N 3.13Å | ||
| 323 | V | 94.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -59.8 | -26.7 | -178.3 | 69 | 0 | 0 | 0 | 0 | 113.1 | P296 V313 S321 | P296-V323 HydrophobicContact CB-CG1 3.73Å; P296-V323 HydrophobicContact CG-CG1 3.38Å; V313-V323 HydrophobicContact CG1-CG1 4.23Å; S321-V323 WeakPolarHBondContact OG-CB 3.35Å; S321-V323 VanDerWaalsContact OG-CG1 3.23Å; S321-V323 WeakPolarHBondContact OG-CG1 3.47Å; S321-V323 PolarHBondContact OG-N 3.41Å |
| 324 | Y | 94.9 | Very high | 94.6 | Very high | 45 Ų | 45 | 72.6 Ų | 72.6 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -130.6 | 149.9 | 173.6 | -70.7 | -51.2 | 0 | 0 | 0 | 111.2 | T231 R257 R258 P296 I298 D322 | T231-Y324 HydrophobicContact CG2-CD2 4.19Å; T231-Y324 HydrophobicContact CG2-CE2 4.11Å; R257-Y324 HydrophobicContact CG-CD1 3.69Å; R257-Y324 HydrophobicContact CG-CE1 3.82Å; R257-Y324 HydrophobicContact CG-CG 4.26Å; R258-Y324 WeakPolarHBondContact O-CE1 3.45Å; R258-Y324 PolarHBondContact O-OH 2.96Å; P296-Y324 HydrophobicContact CB-CD2 3.94Å; P296-Y324 HydrophobicContact CB-CE2 4.13Å; P296-Y324 HydrophobicContact CG-CD2 3.85Å; P296-Y324 HydrophobicContact CG-CE2 3.65Å; I298-Y324 HydrophobicContact CD1-CD2 3.99Å; I298-Y324 HydrophobicContact CD1-CG 4.33Å; D322-Y324 PolarHBondContact O-N 3.46Å; D322-Y324 VanDerWaalsContact O-N 3.13Å |
| 325 | S | 93.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 74.8 Ų | 74.8 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | trans | -60 | 138.6 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | E327 | S325-E327 VanDerWaalsContact C-N 3.25Å; S325-E327 VanDerWaalsContact OG-CB 3.32Å; S325-E327 WeakPolarHBondContact OG-CB 3.36Å; S325-E327 PolarHBondContact OG-N 3.15Å; S325-E327 VanDerWaalsContact OG-N 3.13Å | ||
| 326 | S | 94.7 | Very high | 94.8 | Very high | 53 Ų | 53 | 75.5 Ų | 75.5 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | trans | -81.7 | -2.6 | 173.1 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | S310 A311 | S310-S326 CarbonylContact C-O 3.52Å; S310-S326 WeakPolarHBondContact CA-O 3.49Å; S310-S326 WeakPolarHBondContact OG-CB 3.25Å; S310-S326 PolarHBondContact OG-O 3.21Å; S310-S326 VanDerWaalsContact OG-O 3.13Å; S310-S326 PolarHBondContact OG-OG 3.3Å; A311-S326 PolarHBondContact N-O 3.21Å; A311-S326 VanDerWaalsContact O-CB 3.31Å; A311-S326 WeakPolarHBondContact O-CB 3.48Å | ||
| 327 | E | 95.8 | Very high | 95.1 | Very high | 140 Ų | 140 | 74.5 Ų | 74.5 | 65% | 0.654 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -64.6 | 134.4 | -177.7 | -171.9 | 177.3 | 179.3 | 0 | 0 | 112.4 | S325 | S325-E327 VanDerWaalsContact C-N 3.25Å; S325-E327 VanDerWaalsContact OG-CB 3.32Å; S325-E327 WeakPolarHBondContact OG-CB 3.36Å; S325-E327 PolarHBondContact OG-N 3.15Å; S325-E327 VanDerWaalsContact OG-N 3.13Å |
| 328 | I | 96.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | trans | -116.9 | 133.2 | 168.7 | -66.8 | 172.1 | 0 | 0 | 0 | 107.2 | L228 I300 I307 R308 A311 A330 F332 Q333 | L228-I328 HydrophobicContact CD1-CG2 4.36Å; I300-I328 HydrophobicContact CB-CD1 4.42Å; I300-I328 HydrophobicContact CG2-CD1 4.4Å; I307-I328 HydrophobicContact CG2-CD1 4.12Å; I307-I328 HydrophobicContact CG2-CG2 3.82Å; R308-I328 HydrophobicContact CB-CD1 4.01Å; R308-I328 VanDerWaalsContact O-CD1 3.25Å; R308-I328 WeakPolarHBondContact O-CD1 3.27Å; A311-I328 HydrophobicContact CB-CD1 3.99Å; A311-I328 HydrophobicContact CB-CG1 4.16Å; I328-A330 PolarHBondContact O-N 3.04Å; I328-F332 HydrophobicContact CG2-CB 4.29Å; I328-Q333 HydrophobicContact CB-CG 4.25Å; I328-Q333 HydrophobicContact CG2-CG 4Å; I328-Q333 PolarHBondContact O-NE2 3.44Å | ||
| 329 | P | 96.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 13% | 0.13 | 38% | 0.384 | C | S | . | . | trans | -56.5 | 136.5 | 179 | -23.5 | 31.6 | 0 | 0 | 0 | 112.1 | V255 E331 F332 Q333 | V255-P329 HydrophobicContact CG1-CG 3.99Å; P329-E331 HydrophobicContact CB-CG 4.5Å; P329-E331 WeakPolarHBondContact CB-OE2 3.39Å; P329-E331 PolarHBondContact O-N 2.92Å; P329-E331 VanDerWaalsContact O-N 3.1Å; P329-F332 HydrophobicContact CB-CD2 3.7Å; P329-F332 HydrophobicContact CB-CE2 3.92Å; P329-F332 HydrophobicContact CG-CD2 3.91Å; P329-F332 HydrophobicContact CG-CE2 4.06Å; P329-F332 PolarHBondContact O-N 3.02Å; P329-Q333 PolarHBondContact O-N 2.91Å | ||
| 330 | A | 96.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I328 F332 Q333 | I328-A330 PolarHBondContact O-N 3.04Å; A330-F332 PolarHBondContact O-N 2.77Å; A330-Q333 PolarHBondContact O-N 3.19Å |
| 331 | E | 97 | Very high | 96.4 | Very high | 124 Ų | 124 | 61.9 Ų | 61.9 | 58% | 0.579 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.8 | 178.5 | 65.2 | -91.1 | -147.9 | 0 | 0 | 114.4 | P329 L335 | P329-E331 HydrophobicContact CB-CG 4.5Å; P329-E331 WeakPolarHBondContact CB-OE2 3.39Å; P329-E331 PolarHBondContact O-N 2.92Å; P329-E331 VanDerWaalsContact O-N 3.1Å; E331-L335 WeakPolarHBondContact O-CD1 3.45Å |
| 332 | F | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -17.9 | 178.9 | -53.3 | -56.5 | 0 | 0 | 0 | 113.6 | L228 L254 I307 I328 P329 A330 L335 A343 V344 A347 | L228-F332 HydrophobicContact CD1-CB 4.02Å; L228-F332 HydrophobicContact CD1-CD2 4.3Å; L228-F332 HydrophobicContact CD1-CG 4.26Å; L228-F332 HydrophobicContact CD2-CD2 4.01Å; L228-F332 HydrophobicContact CD2-CE2 4.35Å; L254-F332 HydrophobicContact CB-CE2 4.26Å; L254-F332 HydrophobicContact CD1-CE2 3.94Å; L254-F332 HydrophobicContact CD1-CZ 3.78Å; L254-F332 HydrophobicContact CD2-CZ 4.47Å; I307-F332 WeakPolarHBondContact CB-O 3.26Å; I307-F332 VanDerWaalsContact CG2-O 3.27Å; I307-F332 WeakPolarHBondContact CG2-O 3.03Å; I328-F332 HydrophobicContact CG2-CB 4.29Å; P329-F332 HydrophobicContact CB-CD2 3.7Å; P329-F332 HydrophobicContact CB-CE2 3.92Å; P329-F332 HydrophobicContact CG-CD2 3.91Å; P329-F332 HydrophobicContact CG-CE2 4.06Å; P329-F332 PolarHBondContact O-N 3.02Å; A330-F332 PolarHBondContact O-N 2.77Å; F332-L335 WeakPolarHBondContact O-CB 3.26Å; F332-L335 WeakPolarHBondContact O-CG 3.49Å; F332-L335 PolarHBondContact O-N 2.8Å; F332-A343 HydrophobicContact CD1-CB 3.98Å; F332-A343 HydrophobicContact CE1-CB 3.99Å; F332-V344 HydrophobicContact CD1-CG2 3.87Å; F332-V344 HydrophobicContact CE1-CG2 3.86Å; F332-V344 HydrophobicContact CG-CG2 4.35Å; F332-V344 HydrophobicContact CZ-CG2 4.34Å; F332-A347 HydrophobicContact CE1-CB 4.22Å; F332-A347 HydrophobicContact CZ-CB 3.73Å |
| 333 | Q | 98 | Very high | 96.7 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 140.5 | -177.4 | -63.5 | 176 | 7.5 | 0 | 0 | 111.3 | E309 I328 P329 A330 L335 | E309-Q333 HydrophobicContact CG-CB 4.41Å; E309-Q333 PolarHBondContact O-NE2 2.73Å; I328-Q333 HydrophobicContact CB-CG 4.25Å; I328-Q333 HydrophobicContact CG2-CG 4Å; I328-Q333 PolarHBondContact O-NE2 3.44Å; P329-Q333 PolarHBondContact O-N 2.91Å; A330-Q333 PolarHBondContact O-N 3.19Å; Q333-L335 PolarHBondContact O-N 3.2Å; Q333-L335 VanDerWaalsContact O-N 3.08Å |
| 334 | K | 97.8 | Very high | 96.9 | Very high | 131 Ų | 131 | 58 Ų | 58 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 8.7 | 177.4 | -51.2 | 179.1 | -174.9 | 172.7 | 0 | 115.5 | I307 E309 | I307-K334 WeakPolarHBondContact O-CA 3.33Å; I307-K334 PolarHBondContact O-N 3.27Å; E309-K334 VanDerWaalsContact CD-NZ 3.34Å; E309-K334 HydrophobicContact CG-CD 4.41Å; E309-K334 HydrophobicContact CG-CG 4.17Å; E309-K334 WeakPolarHBondContact OE1-CE 3.3Å; E309-K334 IonicContact OE1-NZ 3.54Å; E309-K334 PolarHBondContact OE1-NZ 2.9Å; E309-K334 IonicContact OE2-NZ 2.84Å |
| 335 | L | 98.1 | Very high | 97 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | trans | -73.7 | 137.7 | 173.4 | -65.8 | -175.1 | 0 | 0 | 0 | 110.2 | D306 I307 E331 F332 Q333 A340 A343 | D306-L335 CarbonylContact C-O 3.56Å; D306-L335 WeakPolarHBondContact CA-O 3.45Å; I307-L335 HydrophobicContact CG1-CB 4.42Å; I307-L335 PolarHBondContact N-O 2.9Å; E331-L335 WeakPolarHBondContact O-CD1 3.45Å; F332-L335 WeakPolarHBondContact O-CB 3.26Å; F332-L335 WeakPolarHBondContact O-CG 3.49Å; F332-L335 PolarHBondContact O-N 2.8Å; Q333-L335 PolarHBondContact O-N 3.2Å; Q333-L335 VanDerWaalsContact O-N 3.08Å; L335-A340 HydrophobicContact CB-CB 3.91Å; L335-A340 HydrophobicContact CD1-CB 4.44Å; L335-A343 HydrophobicContact CD1-CB 3.82Å | ||
| 336 | E | 97.6 | Very high | 97.3 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -58.2 | 137.3 | 165.6 | -170.8 | -74 | 139.4 | 0 | 0 | 109.5 | D306 F338 A339 A340 | D306-E336 VanDerWaalsContact OD1-CA 3.28Å; D306-E336 WeakPolarHBondContact OD1-CA 3.2Å; E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 3.09Å; E336-F338 VanDerWaalsContact O-N 3.08Å; E336-F338 WeakPolarHBondContact OE1-CD2 3.41Å; E336-F338 PolarHBondContact OE1-N 2.86Å; E336-F338 WeakPolarHBondContact OE2-CA 3.49Å; E336-F338 VanDerWaalsContact OE2-CB 3.26Å; E336-F338 WeakPolarHBondContact OE2-CB 3.37Å; E336-F338 PolarHBondContact OE2-N 3.31Å; E336-A339 HydrophobicContact CB-CB 4.43Å; E336-A339 CarbonylContact O-C 3.59Å; E336-A339 WeakPolarHBondContact O-CA 3.26Å; E336-A339 WeakPolarHBondContact O-CB 3.32Å; E336-A339 PolarHBondContact O-N 3.39Å; E336-A339 PolarHBondContact OE2-N 3.04Å; E336-A340 PolarHBondContact O-N 3.09Å |
| 337 | R | 96.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -49.8 | -37 | -171.8 | 53.6 | -170 | -165.6 | -65.3 | 21.6 | 115.9 | L301 G305 R341 V373 E375 | L301-R337 HydrophobicContact CD2-CB 4.48Å; G305-R337 WeakPolarHBondContact O-CB 3.43Å; G305-R337 WeakPolarHBondContact O-CD 3.12Å; G305-R337 VanDerWaalsContact O-CG 3.31Å; G305-R337 WeakPolarHBondContact O-CG 3.25Å; G305-R337 PolarHBondContact O-N 3.34Å; R337-R341 WeakPolarHBondContact O-CB 3.4Å; R337-R341 PolarHBondContact O-N 2.89Å; R337-V373 PolarHBondContact NH2-O 3.44Å; R337-E375 WeakPolarHBondContact CD-OE1 3.43Å; R337-E375 IonicContact CZ-OE1 2.74Å; R337-E375 IonicContact NE-OE1 2.99Å; R337-E375 PolarHBondContact NE-OE1 3.26Å |
| 338 | F | 96.4 | Very high | 97.5 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 33% | 0.333 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -78.2 | -29.5 | 177.6 | -52.8 | -62.8 | 0 | 0 | 0 | 112.1 | E336 R341 K342 V373 | E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 3.09Å; E336-F338 VanDerWaalsContact O-N 3.08Å; E336-F338 WeakPolarHBondContact OE1-CD2 3.41Å; E336-F338 PolarHBondContact OE1-N 2.86Å; E336-F338 WeakPolarHBondContact OE2-CA 3.49Å; E336-F338 VanDerWaalsContact OE2-CB 3.26Å; E336-F338 WeakPolarHBondContact OE2-CB 3.37Å; E336-F338 PolarHBondContact OE2-N 3.31Å; F338-R341 WeakPolarHBondContact O-CB 3.19Å; F338-K342 PolarHBondContact O-N 3.26Å; F338-V373 HydrophobicContact CZ-CB 4.27Å; F338-V373 HydrophobicContact CZ-CG2 4.1Å |
| 339 | A | 97.8 | Very high | 97.5 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E336 R341 K342 A343 | E336-A339 HydrophobicContact CB-CB 4.43Å; E336-A339 CarbonylContact O-C 3.59Å; E336-A339 WeakPolarHBondContact O-CA 3.26Å; E336-A339 WeakPolarHBondContact O-CB 3.32Å; E336-A339 PolarHBondContact O-N 3.39Å; E336-A339 PolarHBondContact OE2-N 3.04Å; A339-R341 VanDerWaalsContact C-N 3.3Å; A339-R341 PolarHBondContact O-N 3.13Å; A339-K342 PolarHBondContact O-N 2.66Å; A339-K342 VanDerWaalsContact O-N 3.14Å; A339-A343 PolarHBondContact O-N 3.03Å |
| 340 | A | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E225 I307 L335 E336 K342 A343 V344 | E225-A340 HydrophobicContact CB-CB 4.24Å; I307-A340 HydrophobicContact CD1-CB 3.82Å; I307-A340 HydrophobicContact CG1-CB 3.42Å; I307-A340 VanDerWaalsContact CG1-CB 3.42Å; L335-A340 HydrophobicContact CB-CB 3.91Å; L335-A340 HydrophobicContact CD1-CB 4.44Å; E336-A340 PolarHBondContact O-N 3.09Å; A340-K342 VanDerWaalsContact C-N 3.31Å; A340-K342 PolarHBondContact O-N 3.1Å; A340-A343 PolarHBondContact O-N 2.81Å; A340-A343 VanDerWaalsContact O-N 3.17Å; A340-V344 WeakPolarHBondContact O-CB 3.49Å; A340-V344 WeakPolarHBondContact O-CG2 3.21Å; A340-V344 PolarHBondContact O-N 3.14Å |
| 341 | R | 97.4 | Very high | 97.6 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 19% | 0.192 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.4 | -48.4 | 173.2 | -176.8 | 176.9 | -67.7 | 174.9 | 1.8 | 111.9 | P224 E225 R337 F338 A339 V345 | P224-R341 HydrophobicContact CG-CG 3.7Å; E225-R341 HydrophobicContact CB-CB 4.17Å; E225-R341 IonicContact OE1-CZ 2.67Å; E225-R341 IonicContact OE1-NE 2.72Å; E225-R341 IonicContact OE1-NH2 2.72Å; E225-R341 PolarHBondContact OE1-NH2 3.39Å; E225-R341 WeakPolarHBondContact OE2-CB 3.35Å; E225-R341 WeakPolarHBondContact OE2-CG 3.42Å; E225-R341 IonicContact OE2-CZ 2.76Å; E225-R341 IonicContact OE2-NE 3.27Å; E225-R341 PolarHBondContact OE2-NE 2.88Å; E225-R341 IonicContact OE2-NH2 3.43Å; E225-R341 PolarHBondContact OE2-NH2 2.95Å; R337-R341 WeakPolarHBondContact O-CB 3.4Å; R337-R341 PolarHBondContact O-N 2.89Å; F338-R341 WeakPolarHBondContact O-CB 3.19Å; A339-R341 VanDerWaalsContact C-N 3.3Å; A339-R341 PolarHBondContact O-N 3.13Å; R341-V345 VanDerWaalsContact O-CG2 3.23Å; R341-V345 WeakPolarHBondContact O-CG2 3.41Å; R341-V345 PolarHBondContact O-N 3.02Å; R341-V345 VanDerWaalsContact O-N 3.13Å |
| 342 | K | 97.7 | Very high | 97.6 | Very high | 160 Ų | 160 | 53.5 Ų | 53.5 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 179 | -66.2 | 173.9 | -176.2 | 175.2 | 0 | 111.7 | F338 A339 A340 A346 | F338-K342 PolarHBondContact O-N 3.26Å; A339-K342 PolarHBondContact O-N 2.66Å; A339-K342 VanDerWaalsContact O-N 3.14Å; A340-K342 VanDerWaalsContact C-N 3.31Å; A340-K342 PolarHBondContact O-N 3.1Å; K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 3.49Å |
| 343 | A | 98.1 | Very high | 97.6 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 26% | 0.256 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | F332 L335 A339 A340 A346 A347 | F332-A343 HydrophobicContact CD1-CB 3.98Å; F332-A343 HydrophobicContact CE1-CB 3.99Å; L335-A343 HydrophobicContact CD1-CB 3.82Å; A339-A343 PolarHBondContact O-N 3.03Å; A340-A343 PolarHBondContact O-N 2.81Å; A340-A343 VanDerWaalsContact O-N 3.17Å; A343-A346 PolarHBondContact O-N 3.47Å; A343-A347 WeakPolarHBondContact O-CB 3.27Å; A343-A347 PolarHBondContact O-N 2.85Å |
| 344 | V | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.5 | 168.3 | 0 | 0 | 0 | 0 | 111 | P224 L228 L254 F332 A340 A346 A347 V348 | P224-V344 HydrophobicContact CB-CG1 4.47Å; P224-V344 VanDerWaalsContact O-CG1 3.31Å; P224-V344 WeakPolarHBondContact O-CG1 3.21Å; L228-V344 HydrophobicContact CD1-CG2 4.37Å; L228-V344 HydrophobicContact CG-CG2 4.48Å; L254-V344 HydrophobicContact CD1-CB 4.38Å; L254-V344 HydrophobicContact CD1-CG1 3.8Å; L254-V344 HydrophobicContact CD1-CG2 4.38Å; F332-V344 HydrophobicContact CD1-CG2 3.87Å; F332-V344 HydrophobicContact CE1-CG2 3.86Å; F332-V344 HydrophobicContact CG-CG2 4.35Å; F332-V344 HydrophobicContact CZ-CG2 4.34Å; A340-V344 WeakPolarHBondContact O-CB 3.49Å; A340-V344 WeakPolarHBondContact O-CG2 3.21Å; A340-V344 PolarHBondContact O-N 3.14Å; V344-A346 VanDerWaalsContact C-N 3.33Å; V344-A346 PolarHBondContact O-N 3.28Å; V344-A347 PolarHBondContact O-N 3.33Å; V344-V348 HydrophobicContact CG1-CG2 4.32Å; V344-V348 WeakPolarHBondContact O-CB 3.22Å; V344-V348 VanDerWaalsContact O-CG2 3.31Å; V344-V348 WeakPolarHBondContact O-CG2 3.46Å; V344-V348 PolarHBondContact O-N 3.41Å |
| 345 | V | 97.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | W198 P224 R341 A347 V348 D349 L354 | W198-V345 HydrophobicContact CD2-CG2 4.33Å; W198-V345 HydrophobicContact CG-CG2 4.18Å; P224-V345 HydrophobicContact CB-CG2 3.87Å; P224-V345 HydrophobicContact CG-CG2 3.43Å; P224-V345 VanDerWaalsContact CG-CG2 3.43Å; R341-V345 VanDerWaalsContact O-CG2 3.23Å; R341-V345 WeakPolarHBondContact O-CG2 3.41Å; R341-V345 PolarHBondContact O-N 3.02Å; R341-V345 VanDerWaalsContact O-N 3.13Å; V345-A347 VanDerWaalsContact C-N 3.35Å; V345-A347 PolarHBondContact O-N 2.88Å; V345-V348 PolarHBondContact O-N 3.29Å; V345-D349 WeakPolarHBondContact O-CB 3.46Å; V345-D349 PolarHBondContact O-N 3.01Å; V345-L354 HydrophobicContact CG1-CD2 4.22Å |
| 346 | A | 98 | Very high | 97.4 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 49% | 0.488 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K342 A343 V344 D349 A350 | K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 3.49Å; A343-A346 PolarHBondContact O-N 3.47Å; V344-A346 VanDerWaalsContact C-N 3.33Å; V344-A346 PolarHBondContact O-N 3.28Å; A346-D349 PolarHBondContact O-N 3.28Å; A346-A350 WeakPolarHBondContact O-CB 3.46Å; A346-A350 PolarHBondContact O-N 3.32Å |
| 347 | A | 97.9 | Very high | 97.3 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L254 F332 A343 V344 V345 A350 L351 | L254-A347 HydrophobicContact CD1-CB 4.18Å; L254-A347 HydrophobicContact CD2-CB 3.58Å; F332-A347 HydrophobicContact CE1-CB 4.22Å; F332-A347 HydrophobicContact CZ-CB 3.73Å; A343-A347 WeakPolarHBondContact O-CB 3.27Å; A343-A347 PolarHBondContact O-N 2.85Å; V344-A347 PolarHBondContact O-N 3.33Å; V345-A347 VanDerWaalsContact C-N 3.35Å; V345-A347 PolarHBondContact O-N 2.88Å; A347-A350 PolarHBondContact O-N 2.71Å; A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 2.83Å |
| 348 | V | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.7 | 169 | 0 | 0 | 0 | 0 | 111.2 | I200 L227 L254 V344 V345 L351 G352 L353 L354 | I200-V348 HydrophobicContact CB-CG1 4.4Å; I200-V348 HydrophobicContact CD1-CG1 4.42Å; I200-V348 HydrophobicContact CG1-CG1 4.15Å; I200-V348 HydrophobicContact CG2-CG1 3.59Å; I200-V348 HydrophobicContact CG2-CG2 4.43Å; L227-V348 HydrophobicContact CD1-CG2 4.43Å; L254-V348 HydrophobicContact CD1-CG2 4.01Å; L254-V348 HydrophobicContact CG-CG2 4.29Å; V344-V348 HydrophobicContact CG1-CG2 4.32Å; V344-V348 WeakPolarHBondContact O-CB 3.22Å; V344-V348 VanDerWaalsContact O-CG2 3.31Å; V344-V348 WeakPolarHBondContact O-CG2 3.46Å; V344-V348 PolarHBondContact O-N 3.41Å; V345-V348 PolarHBondContact O-N 3.29Å; V348-L351 PolarHBondContact O-N 2.79Å; V348-G352 PolarHBondContact O-N 3.49Å; V348-L353 HydrophobicContact CG1-CB 3.88Å; V348-L353 PolarHBondContact O-N 3.47Å; V348-L354 HydrophobicContact CG1-CB 4.09Å |
| 349 | D | 97.5 | Very high | 97.2 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.2 | -170.4 | 46.3 | 0 | 0 | 0 | 111.9 | V345 A346 L351 G352 L354 | V345-D349 WeakPolarHBondContact O-CB 3.46Å; V345-D349 PolarHBondContact O-N 3.01Å; A346-D349 PolarHBondContact O-N 3.28Å; D349-L351 PolarHBondContact O-N 2.88Å; D349-G352 WeakPolarHBondContact O-CA 3.38Å; D349-G352 PolarHBondContact O-N 2.87Å; D349-L354 HydrophobicContact CB-CB 4.05Å; D349-L354 HydrophobicContact CB-CD2 3.89Å |
| 350 | A | 97.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 72% | 0.719 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.4 | -27.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A346 A347 G352 | A346-A350 WeakPolarHBondContact O-CB 3.46Å; A346-A350 PolarHBondContact O-N 3.32Å; A347-A350 PolarHBondContact O-N 2.71Å; A350-G352 VanDerWaalsContact C-N 3.3Å |
| 351 | L | 96.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 64.6 Ų | 64.6 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.9 | 172.6 | -67.2 | 175.9 | 0 | 0 | 0 | 113.5 | L254 A347 V348 D349 L353 | L254-L351 HydrophobicContact CD2-CD1 3.71Å; A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 2.83Å; V348-L351 PolarHBondContact O-N 2.79Å; D349-L351 PolarHBondContact O-N 2.88Å; L351-L353 HydrophobicContact CB-CD1 3.89Å; L351-L353 HydrophobicContact CB-CG 3.94Å; L351-L353 HydrophobicContact CD1-CD1 4.12Å; L351-L353 PolarHBondContact O-N 3.29Å |
| 352 | G | 97.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 63.5 Ų | 63.5 | 46% | 0.464 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 20.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V348 D349 A350 | V348-G352 PolarHBondContact O-N 3.49Å; D349-G352 WeakPolarHBondContact O-CA 3.38Å; D349-G352 PolarHBondContact O-N 2.87Å; A350-G352 VanDerWaalsContact C-N 3.3Å |
| 353 | L | 97.5 | Very high | 96 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | trans | -97.2 | -9.8 | -177.1 | -64.3 | 175.5 | 0 | 0 | 0 | 112.8 | R201 P203 P253 V348 L351 E355 | R201-L353 HydrophobicContact CB-CB 4.4Å; R201-L353 HydrophobicContact CB-CD2 4.04Å; R201-L353 PolarHBondContact N-O 3.49Å; P203-L353 HydrophobicContact CG-CD2 4.18Å; P253-L353 HydrophobicContact CB-CD1 3.77Å; P253-L353 HydrophobicContact CG-CD1 3.88Å; V348-L353 HydrophobicContact CG1-CB 3.88Å; V348-L353 PolarHBondContact O-N 3.47Å; L351-L353 HydrophobicContact CB-CD1 3.89Å; L351-L353 HydrophobicContact CB-CG 3.94Å; L351-L353 HydrophobicContact CD1-CD1 4.12Å; L351-L353 PolarHBondContact O-N 3.29Å; L353-E355 PolarHBondContact O-N 3.44Å | ||
| 354 | L | 97.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 114.8 | 172.7 | -174.4 | 63.5 | 0 | 0 | 0 | 109.4 | W198 I200 V345 V348 D349 I357 | W198-L354 HydrophobicContact CB-CD1 4.44Å; I200-L354 HydrophobicContact CG1-CD1 4.39Å; V345-L354 HydrophobicContact CG1-CD2 4.22Å; V348-L354 HydrophobicContact CG1-CB 4.09Å; D349-L354 HydrophobicContact CB-CB 4.05Å; D349-L354 HydrophobicContact CB-CD2 3.89Å; L354-I357 HydrophobicContact CD1-CG1 4.26Å; L354-I357 HydrophobicContact CD2-CD1 4.05Å; L354-I357 HydrophobicContact CD2-CG1 4.1Å; L354-I357 HydrophobicContact CG-CG1 4.5Å |
| 355 | E | 95.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 61 Ų | 61 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -49.3 | -178.4 | -176.7 | 149.8 | 155.5 | 0 | 0 | 111.9 | H199 R201 V218 L353 | H199-E355 HydrophobicContact CB-CB 4.17Å; H199-E355 PolarHBondContact O-N 3.4Å; R201-E355 HydrophobicContact CG-CB 4.39Å; R201-E355 IonicContact CZ-OE2 3.93Å; R201-E355 IonicContact NE-OE2 2.77Å; R201-E355 PolarHBondContact NE-OE2 3.19Å; R201-E355 IonicContact NH2-OE2 3.54Å; R201-E355 PolarHBondContact NH2-OE2 3.38Å; V218-E355 HydrophobicContact CG1-CB 4.44Å; V218-E355 VanDerWaalsContact CG2-OE2 3.26Å; V218-E355 WeakPolarHBondContact CG2-OE2 3.38Å; L353-E355 PolarHBondContact O-N 3.44Å |
| 356 | E | 96 | Very high | 95.2 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 34% | 0.341 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 161.3 | 177.8 | 57.9 | 177.1 | -178 | 0 | 0 | 111.5 | H199 K358 | H199-E356 HydrophobicContact CB-CG 3.67Å; H199-E356 IonicContact CD2-OE1 3.04Å; H199-E356 IonicContact CE1-OE1 2.88Å; H199-E356 IonicContact CG-OE1 2.96Å; H199-E356 PolarHBondContact N-O 3.23Å; H199-E356 IonicContact ND1-OE1 3.54Å; H199-E356 IonicContact NE2-OE1 2.83Å; E356-K358 VanDerWaalsContact CD-CE 3.41Å; E356-K358 VanDerWaalsContact CD-NZ 3.34Å; E356-K358 WeakPolarHBondContact OE1-CE 3.4Å; E356-K358 IonicContact OE1-NZ 3.65Å; E356-K358 PolarHBondContact OE1-NZ 3.44Å; E356-K358 WeakPolarHBondContact OE2-CE 3.47Å; E356-K358 IonicContact OE2-NZ 3.41Å; E356-K358 PolarHBondContact OE2-NZ 2.98Å |
| 357 | I | 96.5 | Very high | 94.5 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.7 | 171 | -50.5 | 178.5 | 0 | 0 | 0 | 107.6 | L354 | L354-I357 HydrophobicContact CD1-CG1 4.26Å; L354-I357 HydrophobicContact CD2-CD1 4.05Å; L354-I357 HydrophobicContact CD2-CG1 4.1Å; L354-I357 HydrophobicContact CG-CG1 4.5Å |
| 358 | K | 95.3 | Very high | 93.5 | Very high | 96 Ų | 96 | 61.6 Ų | 61.6 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.8 | 177.5 | -75.6 | 175 | 168.8 | 154 | 0 | 110.8 | S196 M197 E356 | S196-K358 CarbonylContact C-O 3.45Å; S196-K358 VanDerWaalsContact CA-O 3.32Å; S196-K358 WeakPolarHBondContact CA-O 3.32Å; M197-K358 PolarHBondContact N-O 3.34Å; M197-K358 PolarHBondContact O-N 3.47Å; E356-K358 VanDerWaalsContact CD-CE 3.41Å; E356-K358 VanDerWaalsContact CD-NZ 3.34Å; E356-K358 WeakPolarHBondContact OE1-CE 3.4Å; E356-K358 IonicContact OE1-NZ 3.65Å; E356-K358 PolarHBondContact OE1-NZ 3.44Å; E356-K358 WeakPolarHBondContact OE2-CE 3.47Å; E356-K358 IonicContact OE2-NZ 3.41Å; E356-K358 PolarHBondContact OE2-NZ 2.98Å |
| 359 | P | 94.7 | Very high | 92.5 | Very high | 120 Ų | 120 | 64.4 Ų | 64.4 | 78% | 0.779 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 140.1 | 165.7 | -21.9 | 33 | 0 | 0 | 0 | 110.4 | ||
| 360 | H | 91.9 | Very high | 91.6 | Very high | 80 Ų | 80 | 60 Ų | 60 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 137.8 | -178.5 | -169.9 | 61 | 0 | 0 | 0 | 110.8 | G195 M197 | G195-H360 CarbonylContact C-O 3.57Å; G195-H360 WeakPolarHBondContact CA-O 3.25Å; G195-H360 PolarHBondContact N-O 3.44Å; G195-H360 PolarHBondContact O-N 2.88Å; M197-H360 HydrophobicContact CB-CB 3.93Å |
| 361 | D | 92.4 | Very high | 90.9 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.2 | 176.1 | -69.5 | -2.7 | 0 | 0 | 0 | 108.4 | K194 | K194-D361 WeakPolarHBondContact CD-OD1 3.37Å; K194-D361 WeakPolarHBondContact CE-OD1 3.27Å; K194-D361 IonicContact NZ-OD1 3.13Å; K194-D361 PolarHBondContact NZ-OD1 3Å; K194-D361 IonicContact NZ-OD2 2.7Å; K194-D361 PolarHBondContact NZ-OD2 3.42Å |
| 362 | L | 89.8 | Confident | 90.6 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140 | -173.9 | -62.9 | 174.7 | 0 | 0 | 0 | 110 | E192 S193 T222 V364 | E192-L362 CarbonylContact C-O 3.58Å; E192-L362 WeakPolarHBondContact CA-O 3.32Å; S193-L362 PolarHBondContact N-O 3.22Å; S193-L362 PolarHBondContact O-N 2.7Å; T222-L362 HydrophobicContact CG2-CD2 3.44Å; T222-L362 VanDerWaalsContact CG2-CD2 3.44Å; L362-V364 HydrophobicContact CB-CG2 3.85Å; L362-V364 HydrophobicContact CD1-CG2 4.31Å |
| 363 | T | 91.8 | Very high | 90.4 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.4 | 159.3 | -49.8 | 0 | 0 | 0 | 0 | 107.6 | N190 R191 E192 | N190-T363 HydrophobicContact CB-CG2 3.58Å; R191-T363 WeakPolarHBondContact O-CA 3.44Å; E192-T363 PolarHBondContact OE1-OG1 3.01Å |
| 364 | V | 91.8 | Very high | 90.3 | Very high | 24 Ų | 24 | 52 Ų | 52 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.7 | -175.5 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | R191 L362 Y366 V373 | R191-V364 PolarHBondContact N-O 3.23Å; R191-V364 PolarHBondContact O-N 3.21Å; L362-V364 HydrophobicContact CB-CG2 3.85Å; L362-V364 HydrophobicContact CD1-CG2 4.31Å; V364-Y366 HydrophobicContact CB-CD2 4.42Å; V364-Y366 HydrophobicContact CB-CE2 3.82Å; V364-Y366 HydrophobicContact CG1-CD2 4.2Å; V364-Y366 HydrophobicContact CG1-CE2 3.64Å; V364-Y366 WeakPolarHBondContact O-CD2 3.18Å; V364-V373 HydrophobicContact CG1-CB 4.35Å; V364-V373 HydrophobicContact CG1-CG1 3.73Å; V364-V373 HydrophobicContact CG1-CG2 3.79Å |
| 365 | P | 93.6 | Very high | 90.3 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.8 | 178.3 | 30.9 | -34.6 | 0 | 0 | 0 | 111.1 | V188 V373 I374 | V188-P365 HydrophobicContact CG1-CB 3.27Å; P365-V373 WeakPolarHBondContact O-CA 3.24Å; P365-I374 HydrophobicContact CB-CB 4.19Å; P365-I374 HydrophobicContact CG-CB 4.36Å; P365-I374 PolarHBondContact O-N 3.47Å |
| 366 | Y | 91.7 | Very high | 90.3 | Very high | 55 Ų | 55 | 48 Ų | 48 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.8 | 173.8 | -74 | -97.8 | 0 | 0 | 0 | 111 | E189 R191 V364 D368 V372 V373 | E189-Y366 PolarHBondContact N-O 3Å; E189-Y366 PolarHBondContact O-N 2.8Å; R191-Y366 HydrophobicContact CB-CD2 3.91Å; R191-Y366 HydrophobicContact CB-CE2 4.03Å; R191-Y366 HydrophobicContact CG-CD2 3.79Å; R191-Y366 HydrophobicContact CG-CE2 4.33Å; V364-Y366 HydrophobicContact CB-CD2 4.42Å; V364-Y366 HydrophobicContact CB-CE2 3.82Å; V364-Y366 HydrophobicContact CG1-CD2 4.2Å; V364-Y366 HydrophobicContact CG1-CE2 3.64Å; V364-Y366 WeakPolarHBondContact O-CD2 3.18Å; Y366-D368 PolarHBondContact O-N 3.15Å; Y366-V372 VanDerWaalsContact CA-O 3.28Å; Y366-V372 WeakPolarHBondContact CA-O 3.31Å; Y366-V372 VanDerWaalsContact CD1-C 3.45Å; Y366-V372 WeakPolarHBondContact CD1-O 3.36Å; Y366-V373 HydrophobicContact CD1-CG2 4.33Å; Y366-V373 HydrophobicContact CE1-CG2 3.65Å; Y366-V373 HydrophobicContact CE2-CG2 4.37Å |
| 367 | G | 84 | Confident | 90.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R369 G371 V372 | G367-R369 PolarHBondContact O-N 2.85Å; G367-G371 WeakPolarHBondContact O-CA 3.47Å; G367-G371 PolarHBondContact O-N 3.34Å; G367-V372 PolarHBondContact N-O 3.15Å; G367-V372 VanDerWaalsContact N-O 3.09Å |
| 368 | D | 76.4 | Confident | 90.2 | Very high | 60 Ų | 60 | 40.6 Ų | 40.6 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -36.3 | 176.6 | 72.6 | -29.2 | 0 | 0 | 0 | 112.6 | E187 E189 Y366 | E187-D368 WeakPolarHBondContact O-CB 3.19Å; E187-D368 PolarHBondContact O-N 3.41Å; E187-D368 VanDerWaalsContact O-N 3.17Å; E189-D368 HydrophobicContact CG-CB 4.17Å; Y366-D368 PolarHBondContact O-N 3.15Å |
| 369 | R | 77.1 | Confident | 90.1 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 22% | 0.219 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -51.5 | -177.5 | -74.7 | 174.5 | -163.5 | 129.9 | 0.4 | 113.1 | M88 L179 E187 G367 | M88-R369 HydrophobicContact CE-CB 4.01Å; M88-R369 HydrophobicContact SD-CB 3.69Å; M88-R369 HydrophobicContact SD-CG 4.07Å; L179-R369 HydrophobicContact CD1-CB 4.22Å; E187-R369 VanDerWaalsContact CD-NH1 3.27Å; E187-R369 IonicContact OE1-CZ 3.16Å; E187-R369 IonicContact OE1-NH1 3.67Å; E187-R369 PolarHBondContact OE1-NH1 3.45Å; E187-R369 IonicContact OE1-NH2 2.84Å; E187-R369 PolarHBondContact OE1-NH2 3.34Å; E187-R369 IonicContact OE2-NH1 2.75Å; G367-R369 PolarHBondContact O-N 2.85Å |
| 370 | G | 77.3 | Confident | 90 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -29 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D176 K178 V372 | D176-G370 VanDerWaalsContact OD2-CA 3.32Å; D176-G370 WeakPolarHBondContact OD2-CA 3.37Å; K178-G370 PolarHBondContact NZ-O 3.23Å; K178-G370 VanDerWaalsContact NZ-O 3.08Å; G370-V372 PolarHBondContact O-N 3.44Å |
| 371 | G | 83.2 | Confident | 90.1 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 40% | 0.402 | 17% | 0.172 | S | C | . | . | trans | 71.3 | 11.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G367 | G367-G371 WeakPolarHBondContact O-CA 3.47Å; G367-G371 PolarHBondContact O-N 3.34Å | ||
| 372 | V | 90.6 | Very high | 90.4 | Very high | 36 Ų | 36 | 25.8 Ų | 25.8 | 22% | 0.218 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -106.9 | 162.8 | -179.9 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | D176 P177 K178 Y366 G367 G370 I374 | D176-V372 WeakPolarHBondContact OD1-CG2 3.26Å; P177-V372 HydrophobicContact CG-CG2 4.2Å; K178-V372 HydrophobicContact CB-CG1 4.07Å; K178-V372 HydrophobicContact CB-CG2 3.86Å; K178-V372 HydrophobicContact CD-CG1 3.72Å; Y366-V372 VanDerWaalsContact CA-O 3.28Å; Y366-V372 WeakPolarHBondContact CA-O 3.31Å; Y366-V372 VanDerWaalsContact CD1-C 3.45Å; Y366-V372 WeakPolarHBondContact CD1-O 3.36Å; G367-V372 PolarHBondContact N-O 3.15Å; G367-V372 VanDerWaalsContact N-O 3.09Å; G370-V372 PolarHBondContact O-N 3.44Å; V372-I374 PolarHBondContact O-N 3.39Å |
| 373 | V | 94.3 | Very high | 90.7 | Very high | 22 Ų | 22 | 25 Ų | 25 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -63.6 | 129.1 | 173.2 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | R337 F338 V364 P365 Y366 | R337-V373 PolarHBondContact NH2-O 3.44Å; F338-V373 HydrophobicContact CZ-CB 4.27Å; F338-V373 HydrophobicContact CZ-CG2 4.1Å; V364-V373 HydrophobicContact CG1-CB 4.35Å; V364-V373 HydrophobicContact CG1-CG1 3.73Å; V364-V373 HydrophobicContact CG1-CG2 3.79Å; P365-V373 WeakPolarHBondContact O-CA 3.24Å; Y366-V373 HydrophobicContact CD1-CG2 4.33Å; Y366-V373 HydrophobicContact CE1-CG2 3.65Å; Y366-V373 HydrophobicContact CE2-CG2 4.37Å |
| 374 | I | 95.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | -81.9 | 137.3 | 178.3 | -62.9 | -60.1 | 0 | 0 | 0 | 109.7 | N174 W175 D176 I183 P365 V372 | N174-I374 HydrophobicContact CB-CG2 3.68Å; N174-I374 WeakPolarHBondContact OD1-CG2 3.38Å; W175-I374 WeakPolarHBondContact O-CA 3.39Å; D176-I374 HydrophobicContact CB-CD1 3.91Å; I183-I374 HydrophobicContact CD1-CD1 3.33Å; I183-I374 HydrophobicContact CD1-CG1 3.7Å; I183-I374 HydrophobicContact CD1-CG2 4.36Å; I183-I374 HydrophobicContact CG1-CD1 4.19Å; P365-I374 HydrophobicContact CB-CB 4.19Å; P365-I374 HydrophobicContact CG-CB 4.36Å; P365-I374 PolarHBondContact O-N 3.47Å; V372-I374 PolarHBondContact O-N 3.39Å | ||
| 375 | E | 96.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.8 | 179.1 | -64.6 | -58.4 | 155.4 | 0 | 0 | 109.7 | W175 P177 R223 R337 M377 | W175-E375 WeakPolarHBondContact CA-O 3.3Å; W175-E375 WeakPolarHBondContact CB-O 3.11Å; W175-E375 PolarHBondContact N-O 3.04Å; W175-E375 PolarHBondContact O-N 2.81Å; P177-E375 HydrophobicContact CG-CG 4.48Å; R223-E375 IonicContact CZ-OE2 3.71Å; R223-E375 IonicContact NH1-OE2 3.99Å; R223-E375 PolarHBondContact NH1-OE2 3.42Å; R223-E375 IonicContact NH2-OE1 2.83Å; R223-E375 IonicContact NH2-OE2 3.57Å; R223-E375 PolarHBondContact NH2-OE2 3.22Å; R337-E375 WeakPolarHBondContact CD-OE1 3.43Å; R337-E375 IonicContact CZ-OE1 2.74Å; R337-E375 IonicContact NE-OE1 2.99Å; R337-E375 PolarHBondContact NE-OE1 3.26Å; E375-M377 PolarHBondContact O-N 3.5Å |
| 376 | P | 96.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 22 Ų | 22 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 117.6 | 161 | -17.6 | 32.4 | 0 | 0 | 0 | 107.9 | L172 V173 H282 F284 | L172-P376 HydrophobicContact CD1-CB 4.06Å; L172-P376 HydrophobicContact CD2-CB 4.12Å; V173-P376 WeakPolarHBondContact O-CA 3.17Å; H282-P376 WeakPolarHBondContact O-CG 3.35Å; F284-P376 HydrophobicContact CD2-CB 4.04Å; F284-P376 HydrophobicContact CD2-CG 3.97Å; F284-P376 HydrophobicContact CE2-CB 3.82Å; F284-P376 HydrophobicContact CE2-CG 3.87Å; F284-P376 HydrophobicContact CZ-CB 4.28Å |
| 377 | M | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.9 | -175.9 | -175.3 | 65.7 | 64.3 | 0 | 0 | 111.2 | L172 V173 W175 L301 T302 F303 E375 T379 | L172-M377 WeakPolarHBondContact CA-O 3.35Å; L172-M377 VanDerWaalsContact CD2-C 3.47Å; V173-M377 PolarHBondContact N-O 3.46Å; V173-M377 PolarHBondContact O-N 3.15Å; W175-M377 HydrophobicContact CB-CB 3.48Å; W175-M377 VanDerWaalsContact CB-CB 3.48Å; W175-M377 HydrophobicContact CB-CG 4.35Å; W175-M377 HydrophobicContact CD2-CB 4.41Å; W175-M377 HydrophobicContact CD2-CG 4.41Å; W175-M377 HydrophobicContact CG-CB 3.83Å; W175-M377 HydrophobicContact CG-CG 4.18Å; L301-M377 HydrophobicContact CB-CE 3.62Å; L301-M377 HydrophobicContact CB-SD 4.39Å; L301-M377 HydrophobicContact CD1-CE 4.35Å; T302-M377 VanDerWaalsContact O-CE 3.28Å; T302-M377 WeakPolarHBondContact O-CE 3.31Å; F303-M377 HydrophobicContact CD1-CG 4.21Å; F303-M377 HydrophobicContact CD1-SD 4.46Å; F303-M377 HydrophobicContact CE1-CG 4.25Å; E375-M377 PolarHBondContact O-N 3.5Å; M377-T379 HydrophobicContact CB-CG2 4.28Å; M377-T379 HydrophobicContact CG-CG2 3.75Å; M377-T379 PolarHBondContact O-N 2.82Å |
| 378 | L | 94.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 118 | 169.6 | -73.1 | 177.2 | 0 | 0 | 0 | 110.3 | K170 R171 L172 A281 Y287 M297 F314 | K170-L378 HydrophobicContact CG-CB 4.41Å; R171-L378 WeakPolarHBondContact O-CA 3.44Å; L172-L378 HydrophobicContact CD2-CD2 3.96Å; L172-L378 HydrophobicContact CD2-CG 4.01Å; L172-L378 HydrophobicContact CG-CD2 4.12Å; A281-L378 HydrophobicContact CB-CD1 3.5Å; A281-L378 VanDerWaalsContact CB-CD1 3.5Å; A281-L378 HydrophobicContact CB-CG 3.99Å; Y287-L378 HydrophobicContact CD2-CD2 4.46Å; Y287-L378 HydrophobicContact CE2-CD2 4.16Å; M297-L378 HydrophobicContact CB-CD1 3.72Å; M297-L378 HydrophobicContact CE-CD1 4.26Å; M297-L378 HydrophobicContact CE-CD2 4.12Å; M297-L378 HydrophobicContact SD-CD1 4.19Å; M297-L378 HydrophobicContact SD-CD2 3.96Å; F314-L378 HydrophobicContact CD2-CD1 3.9Å; F314-L378 HydrophobicContact CE2-CD1 4.43Å |
| 379 | T | 93.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150 | 178.5 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | K170 R171 V173 W175 F303 M377 Q381 | K170-T379 WeakPolarHBondContact CA-O 3.41Å; R171-T379 PolarHBondContact N-O 3.12Å; R171-T379 VanDerWaalsContact N-O 3.1Å; R171-T379 PolarHBondContact O-N 3.5Å; V173-T379 HydrophobicContact CG2-CG2 4.03Å; V173-T379 WeakPolarHBondContact CG2-OG1 3.44Å; W175-T379 HydrophobicContact CE3-CG2 3.78Å; W175-T379 HydrophobicContact CZ3-CG2 3.84Å; F303-T379 HydrophobicContact CE1-CG2 3.96Å; M377-T379 HydrophobicContact CB-CG2 4.28Å; M377-T379 HydrophobicContact CG-CG2 3.75Å; M377-T379 PolarHBondContact O-N 2.82Å; T379-Q381 PolarHBondContact O-N 3.49Å; T379-Q381 WeakPolarHBondContact OG1-CG 3.37Å; T379-Q381 PolarHBondContact OG1-NE2 3.37Å |
| 380 | D | 92.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 20.9 Ų | 20.9 | 36% | 0.358 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.5 | 168.8 | -63.3 | -54.5 | 0 | 0 | 0 | 108.4 | K170 | K170-D380 WeakPolarHBondContact CB-OD1 3.33Å; K170-D380 IonicContact NZ-OD1 3.96Å; K170-D380 PolarHBondContact NZ-OD1 2.82Å; K170-D380 IonicContact NZ-OD2 3.6Å; K170-D380 PolarHBondContact NZ-OD2 3.11Å |
| 381 | Q | 95 | Very high | 94.5 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 158.6 | -178.1 | -57.2 | -73 | -12.1 | 0 | 0 | 110.1 | R168 G169 V173 T379 Y383 S426 | R168-Q381 CarbonylContact C-O 3.5Å; R168-Q381 WeakPolarHBondContact CA-O 3.39Å; G169-Q381 PolarHBondContact N-O 2.92Å; G169-Q381 PolarHBondContact O-N 3.21Å; V173-Q381 HydrophobicContact CG1-CG 3.87Å; T379-Q381 PolarHBondContact O-N 3.49Å; T379-Q381 WeakPolarHBondContact OG1-CG 3.37Å; T379-Q381 PolarHBondContact OG1-NE2 3.37Å; Q381-Y383 HydrophobicContact CB-CD2 4.36Å; Q381-Y383 HydrophobicContact CB-CE2 3.54Å; Q381-Y383 WeakPolarHBondContact O-CD2 3.31Å; Q381-Y383 WeakPolarHBondContact O-CE2 3.48Å; Q381-S426 VanDerWaalsContact CA-OG 3.3Å; Q381-S426 WeakPolarHBondContact CA-OG 3.23Å; Q381-S426 WeakPolarHBondContact CB-OG 3.38Å; Q381-S426 PolarHBondContact OE1-O 2.77Å; Q381-S426 PolarHBondContact OE1-OG 3.25Å |
| 382 | W | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 138 | 171.6 | -69.6 | 89.8 | 0 | 0 | 0 | 109.9 | F157 Y161 I166 Y167 R168 I425 S426 I435 A437 V445 V447 D469 | F157-W382 HydrophobicContact CE1-CZ3 4.25Å; F157-W382 HydrophobicContact CE2-CE3 4.36Å; F157-W382 AromaticContact CZ-CD2 3.94Å; F157-W382 HydrophobicContact CZ-CD2 3.94Å; F157-W382 AromaticContact CZ-CE3 3.64Å; F157-W382 HydrophobicContact CZ-CE3 3.64Å; F157-W382 HydrophobicContact CZ-CH2 4.21Å; F157-W382 HydrophobicContact CZ-CZ2 4.5Å; F157-W382 AromaticContact CZ-CZ3 3.77Å; F157-W382 HydrophobicContact CZ-CZ3 3.77Å; Y161-W382 AromaticContact CD2-CZ3 3.99Å; Y161-W382 HydrophobicContact CD2-CZ3 3.99Å; Y161-W382 HydrophobicContact CE2-CH2 4.37Å; Y161-W382 HydrophobicContact CE2-CZ3 4.09Å; I166-W382 HydrophobicContact CG2-CE3 3.52Å; I166-W382 HydrophobicContact CG2-CZ3 3.83Å; Y167-W382 WeakPolarHBondContact O-CA 3.49Å; R168-W382 HydrophobicContact CB-CD2 3.97Å; R168-W382 HydrophobicContact CB-CE3 4Å; R168-W382 HydrophobicContact CB-CH2 4.3Å; R168-W382 HydrophobicContact CB-CZ2 4.25Å; R168-W382 HydrophobicContact CB-CZ3 4.18Å; R168-W382 HydrophobicContact CG-CD2 4.18Å; R168-W382 HydrophobicContact CG-CG 4.42Å; R168-W382 HydrophobicContact CG-CZ2 4.48Å; W382-I425 HydrophobicContact CB-CD1 4.16Å; W382-I425 HydrophobicContact CB-CG1 3.82Å; W382-I425 VanDerWaalsContact O-CG1 3.29Å; W382-I425 WeakPolarHBondContact O-CG1 3.25Å; W382-I425 PolarHBondContact O-N 2.82Å; W382-S426 PolarHBondContact N-OG 2.95Å; W382-I435 VanDerWaalsContact CD1-CD1 3.4Å; W382-I435 HydrophobicContact CD2-CG2 4.42Å; W382-I435 HydrophobicContact CG-CD1 4.07Å; W382-I435 HydrophobicContact CZ2-CG2 4.41Å; W382-A437 HydrophobicContact CH2-CB 3.99Å; W382-A437 HydrophobicContact CZ2-CB 3.53Å; W382-V445 HydrophobicContact CH2-CG1 3.93Å; W382-V445 HydrophobicContact CZ2-CG1 3.9Å; W382-V447 HydrophobicContact CH2-CG2 3.79Å; W382-V447 HydrophobicContact CZ3-CG2 4.37Å; W382-D469 PolarHBondContact NE1-OD2 3.39Å |
| 383 | Y | 96.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 4% | 0.043 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.7 | -176.8 | -65.9 | -90.8 | 0 | 0 | 0 | 111 | I166 Y167 R171 V173 Q381 D422 W423 C424 | I166-Y383 VanDerWaalsContact CA-O 3.29Å; I166-Y383 WeakPolarHBondContact CA-O 3.39Å; Y167-Y383 HydrophobicContact CE2-CD2 4.03Å; Y167-Y383 HydrophobicContact CE2-CG 4.28Å; Y167-Y383 VanDerWaalsContact CZ-CB 3.47Å; Y167-Y383 PolarHBondContact N-O 3.44Å; Y167-Y383 VanDerWaalsContact N-O 3.1Å; Y167-Y383 PolarHBondContact O-N 2.89Å; Y167-Y383 WeakPolarHBondContact OH-CB 3.49Å; R171-Y383 HydrophobicContact CB-CE2 4.42Å; R171-Y383 HydrophobicContact CG-CE2 4.25Å; V173-Y383 WeakPolarHBondContact CG1-OH 3.48Å; Q381-Y383 HydrophobicContact CB-CD2 4.36Å; Q381-Y383 HydrophobicContact CB-CE2 3.54Å; Q381-Y383 WeakPolarHBondContact O-CD2 3.31Å; Q381-Y383 WeakPolarHBondContact O-CE2 3.48Å; Y383-D422 HydrophobicContact CD1-CB 4.12Å; Y383-W423 CarbonylContact C-O 3.53Å; Y383-W423 VanDerWaalsContact CA-O 3.25Å; Y383-W423 WeakPolarHBondContact CA-O 3.45Å; Y383-C424 HydrophobicContact CD1-CB 4Å; Y383-C424 HydrophobicContact CE1-CB 3.6Å |
| 384 | V | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.2 | 163 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | L165 I166 A386 L389 D422 W423 I425 F477 M522 | L165-V384 CarbonylContact O-C 3.54Å; L165-V384 WeakPolarHBondContact O-CA 3.42Å; I166-V384 HydrophobicContact CD1-CG2 4.13Å; I166-V384 HydrophobicContact CG1-CG2 3.73Å; V384-A386 PolarHBondContact O-N 3.38Å; V384-L389 HydrophobicContact CG1-CD1 3.53Å; V384-D422 CarbonylContact O-C 3.53Å; V384-D422 WeakPolarHBondContact O-CA 3.35Å; V384-W423 HydrophobicContact CB-CB 4.36Å; V384-W423 HydrophobicContact CB-CE3 4.43Å; V384-W423 HydrophobicContact CG2-CE3 4.43Å; V384-W423 PolarHBondContact N-O 3.12Å; V384-W423 PolarHBondContact O-N 3.03Å; V384-I425 HydrophobicContact CG2-CD1 3.87Å; V384-I425 HydrophobicContact CG2-CG1 4.28Å; V384-I425 HydrophobicContact CG2-CG2 3.71Å; V384-F477 HydrophobicContact CG2-CD2 4.46Å; V384-F477 HydrophobicContact CG2-CE2 3.95Å; V384-M522 HydrophobicContact CG1-CE 4.43Å; V384-M522 HydrophobicContact CG2-CE 4.34Å |
| 385 | R | 96.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 29.8 Ų | 29.8 | 28% | 0.275 | 15% | 0.15 | S | C | . | . | trans | -66 | 96.2 | 169.3 | -65.4 | -173.4 | -163.3 | -81.4 | 3.6 | 109.6 | D164 L165 Y167 D422 | D164-R385 VanDerWaalsContact O-CD 3.29Å; D164-R385 WeakPolarHBondContact O-CD 3.39Å; D164-R385 PolarHBondContact O-NE 2.9Å; D164-R385 IonicContact OD1-NH2 3.44Å; D164-R385 PolarHBondContact OD1-NH2 3.2Å; D164-R385 IonicContact OD2-NH2 2.72Å; L165-R385 HydrophobicContact CD2-CB 4.15Å; L165-R385 PolarHBondContact O-N 2.67Å; Y167-R385 HydrophobicContact CD1-CG 3.91Å; Y167-R385 HydrophobicContact CE1-CG 3.65Å; R385-D422 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 386 | A | 94.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.9 | -29.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V384 V388 L389 A390 I420 Q421 | V384-A386 PolarHBondContact O-N 3.38Å; A386-V388 VanDerWaalsContact C-N 3.35Å; A386-V388 PolarHBondContact O-N 3.07Å; A386-L389 PolarHBondContact O-N 3.42Å; A386-A390 WeakPolarHBondContact O-CB 3.34Å; A386-A390 PolarHBondContact O-N 2.84Å; A386-I420 HydrophobicContact CB-CD1 3.87Å; A386-I420 HydrophobicContact CB-CG1 3.86Å; A386-I420 HydrophobicContact CB-CG2 4.25Å; A386-Q421 VanDerWaalsContact CB-O 3.29Å; A386-Q421 WeakPolarHBondContact CB-O 3.46Å |
| 387 | D | 93.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 29.3 Ų | 29.3 | 41% | 0.406 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.4 | -41.4 | -178.8 | 69.2 | -41.4 | 0 | 0 | 0 | 112.9 | K391 | D387-K391 PolarHBondContact O-N 3.06Å |
| 388 | V | 94.5 | Very high | 96 | Very high | 69 Ų | 69 | 34.1 Ų | 34.1 | 42% | 0.418 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | L165 A386 P392 | L165-V388 HydrophobicContact CD2-CB 3.92Å; L165-V388 HydrophobicContact CD2-CG1 3.97Å; L165-V388 HydrophobicContact CD2-CG2 4.08Å; A386-V388 VanDerWaalsContact C-N 3.35Å; A386-V388 PolarHBondContact O-N 3.07Å; V388-P392 WeakPolarHBondContact O-CD 3.35Å |
| 389 | L | 96.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.3 | -28.8 | -178.9 | -57.7 | -178.9 | 0 | 0 | 0 | 112.6 | L165 V384 A386 P392 M521 H525 | L165-L389 HydrophobicContact CD1-CD2 4.09Å; V384-L389 HydrophobicContact CG1-CD1 3.53Å; A386-L389 PolarHBondContact O-N 3.42Å; L389-P392 WeakPolarHBondContact O-CD 3.28Å; L389-P392 WeakPolarHBondContact O-CG 3.47Å; L389-M521 HydrophobicContact CB-CB 3.92Å; L389-M521 HydrophobicContact CB-CG 4Å; L389-M521 HydrophobicContact CB-SD 3.87Å; L389-H525 HydrophobicContact CD2-CB 3.87Å; L389-H525 WeakPolarHBondContact CD2-ND1 3.39Å |
| 390 | A | 96.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.9 | -31.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A386 A393 V394 M417 I420 M521 | A386-A390 WeakPolarHBondContact O-CB 3.34Å; A386-A390 PolarHBondContact O-N 2.84Å; A390-A393 WeakPolarHBondContact O-CB 3.27Å; A390-A393 PolarHBondContact O-N 3.05Å; A390-V394 WeakPolarHBondContact O-CG2 3.17Å; A390-V394 PolarHBondContact O-N 3.2Å; A390-M417 HydrophobicContact CB-CE 3.57Å; A390-I420 HydrophobicContact CB-CG2 3.68Å; A390-M521 HydrophobicContact CB-SD 4.12Å |
| 391 | K | 95.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 41 Ų | 41 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -54.8 | -59.2 | 179.7 | -72.2 | 172.5 | -174.5 | 173.4 | 0 | 113.5 | D387 A393 V394 E395 | D387-K391 PolarHBondContact O-N 3.06Å; K391-A393 PolarHBondContact O-N 3.11Å; K391-V394 PolarHBondContact O-N 3.01Å; K391-E395 WeakPolarHBondContact O-CG 3.2Å; K391-E395 PolarHBondContact O-N 2.71Å |
| 392 | P | 96 | Very high | 96.8 | Very high | 37 Ų | 37 | 41 Ų | 41 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -30.6 | 177.8 | 25.2 | -34.7 | 0 | 0 | 0 | 112.3 | V388 L389 E395 A396 M524 | V388-P392 WeakPolarHBondContact O-CD 3.35Å; L389-P392 WeakPolarHBondContact O-CD 3.28Å; L389-P392 WeakPolarHBondContact O-CG 3.47Å; P392-E395 PolarHBondContact O-N 2.94Å; P392-A396 PolarHBondContact O-N 3.2Å; P392-M524 HydrophobicContact CB-CE 4.04Å; P392-M524 WeakPolarHBondContact O-CE 3.25Å |
| 393 | A | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A390 K391 Y413 M417 I520 M521 | A390-A393 WeakPolarHBondContact O-CB 3.27Å; A390-A393 PolarHBondContact O-N 3.05Å; K391-A393 PolarHBondContact O-N 3.11Å; A393-Y413 VanDerWaalsContact C-OH 3.27Å; A393-Y413 WeakPolarHBondContact CB-OH 3.44Å; A393-Y413 PolarHBondContact O-OH 3.31Å; A393-Y413 VanDerWaalsContact O-OH 3.1Å; A393-M417 HydrophobicContact CB-CE 3.77Å; A393-I520 HydrophobicContact CB-CB 4.24Å; A393-I520 HydrophobicContact CB-CG2 3.49Å; A393-I520 VanDerWaalsContact CB-CG2 3.49Å; A393-M521 HydrophobicContact CB-CG 3.97Å |
| 394 | V | 97.9 | Very high | 96.9 | Very high | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -48.1 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | A390 K391 A396 V397 E398 F414 M417 | A390-V394 WeakPolarHBondContact O-CG2 3.17Å; A390-V394 PolarHBondContact O-N 3.2Å; K391-V394 PolarHBondContact O-N 3.01Å; V394-A396 VanDerWaalsContact C-N 3.31Å; V394-A396 PolarHBondContact O-N 2.95Å; V394-V397 PolarHBondContact O-N 2.67Å; V394-V397 VanDerWaalsContact O-N 3.14Å; V394-E398 HydrophobicContact CG1-CG 4.13Å; V394-E398 WeakPolarHBondContact O-CG 3.34Å; V394-E398 PolarHBondContact O-N 3.4Å; V394-F414 HydrophobicContact CG1-CD1 4.13Å; V394-F414 HydrophobicContact CG1-CE1 4.15Å; V394-M417 HydrophobicContact CG2-CB 3.45Å; V394-M417 VanDerWaalsContact CG2-CB 3.45Å; V394-M417 HydrophobicContact CG2-CG 4.33Å |
| 395 | E | 97.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 47.3 Ų | 47.3 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.5 | -40.2 | 179.8 | -71.5 | 171.7 | -177.2 | 0 | 0 | 112.1 | K391 P392 V397 E398 N399 | K391-E395 WeakPolarHBondContact O-CG 3.2Å; K391-E395 PolarHBondContact O-N 2.71Å; P392-E395 PolarHBondContact O-N 2.94Å; E395-V397 VanDerWaalsContact C-N 3.29Å; E395-V397 PolarHBondContact O-N 3.4Å; E395-E398 PolarHBondContact O-N 3.31Å; E395-N399 VanDerWaalsContact O-CB 3.27Å; E395-N399 WeakPolarHBondContact O-CB 3.01Å; E395-N399 PolarHBondContact O-N 3.18Å; E395-N399 PolarHBondContact O-ND2 2.8Å; E395-N399 VanDerWaalsContact O-ND2 3.1Å |
| 396 | A | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -36.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P392 V394 G400 D401 I402 M524 V536 | P392-A396 PolarHBondContact O-N 3.2Å; V394-A396 VanDerWaalsContact C-N 3.31Å; V394-A396 PolarHBondContact O-N 2.95Å; A396-G400 PolarHBondContact O-N 3.45Å; A396-D401 HydrophobicContact CB-CB 4.33Å; A396-D401 WeakPolarHBondContact O-CA 3.29Å; A396-D401 WeakPolarHBondContact O-CB 3.29Å; A396-D401 PolarHBondContact O-N 3.34Å; A396-I402 HydrophobicContact CB-CD1 4.16Å; A396-I402 HydrophobicContact CB-CG1 4.24Å; A396-I402 PolarHBondContact O-N 3.45Å; A396-I402 VanDerWaalsContact O-N 3.14Å; A396-M524 HydrophobicContact CB-CE 3.78Å; A396-M524 HydrophobicContact CB-SD 3.72Å; A396-V536 HydrophobicContact CB-CG1 4.05Å |
| 397 | V | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -78 | -40.6 | 175.7 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | V394 E395 N399 G400 I402 F404 E410 Y413 F414 | V394-V397 PolarHBondContact O-N 2.67Å; V394-V397 VanDerWaalsContact O-N 3.14Å; E395-V397 VanDerWaalsContact C-N 3.29Å; E395-V397 PolarHBondContact O-N 3.4Å; V397-N399 VanDerWaalsContact C-N 3.3Å; V397-N399 PolarHBondContact O-N 2.99Å; V397-G400 PolarHBondContact O-N 2.88Å; V397-G400 VanDerWaalsContact O-N 3.16Å; V397-I402 HydrophobicContact CG2-CB 4.06Å; V397-I402 HydrophobicContact CG2-CG2 4.33Å; V397-F404 HydrophobicContact CG1-CD2 4.09Å; V397-F404 HydrophobicContact CG1-CE2 4.02Å; V397-F404 HydrophobicContact CG2-CE2 4.08Å; V397-E410 HydrophobicContact CG1-CG 4.03Å; V397-Y413 HydrophobicContact CB-CD1 4.28Å; V397-Y413 HydrophobicContact CB-CE1 3.97Å; V397-Y413 HydrophobicContact CG1-CD1 4.3Å; V397-Y413 HydrophobicContact CG1-CE1 4.48Å; V397-Y413 HydrophobicContact CG2-CD1 3.95Å; V397-Y413 HydrophobicContact CG2-CE1 3.43Å; V397-Y413 VanDerWaalsContact CG2-CE1 3.43Å; V397-F414 HydrophobicContact CB-CE1 3.83Å; V397-F414 HydrophobicContact CB-CZ 3.92Å; V397-F414 HydrophobicContact CG1-CE1 3.89Å; V397-F414 HydrophobicContact CG1-CE2 4.37Å; V397-F414 HydrophobicContact CG1-CZ 3.55Å |
| 398 | E | 97.8 | Very high | 96.9 | Very high | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 177.5 | -71.5 | -178.5 | 161.7 | 0 | 0 | 112.6 | V394 E395 G400 F414 R418 | V394-E398 HydrophobicContact CG1-CG 4.13Å; V394-E398 WeakPolarHBondContact O-CG 3.34Å; V394-E398 PolarHBondContact O-N 3.4Å; E395-E398 PolarHBondContact O-N 3.31Å; E398-G400 VanDerWaalsContact C-N 3.3Å; E398-F414 HydrophobicContact CG-CE1 3.57Å; E398-F414 HydrophobicContact CG-CZ 3.6Å; E398-R418 IonicContact OE1-CZ 2.71Å; E398-R418 IonicContact OE1-NE 2.63Å; E398-R418 IonicContact OE1-NH2 3.36Å; E398-R418 PolarHBondContact OE1-NH2 3.23Å |
| 399 | N | 97.7 | Very high | 97 | Very high | 120 Ų | 120 | 50.3 Ų | 50.3 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.7 | 178.3 | -66.3 | -28.9 | 0 | 0 | 0 | 113.4 | E395 V397 | E395-N399 VanDerWaalsContact O-CB 3.27Å; E395-N399 WeakPolarHBondContact O-CB 3.01Å; E395-N399 PolarHBondContact O-N 3.18Å; E395-N399 PolarHBondContact O-ND2 2.8Å; E395-N399 VanDerWaalsContact O-ND2 3.1Å; V397-N399 VanDerWaalsContact C-N 3.3Å; V397-N399 PolarHBondContact O-N 2.99Å |
| 400 | G | 97.7 | Very high | 97 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 14.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | A396 V397 E398 I402 | A396-G400 PolarHBondContact O-N 3.45Å; V397-G400 PolarHBondContact O-N 2.88Å; V397-G400 VanDerWaalsContact O-N 3.16Å; E398-G400 VanDerWaalsContact C-N 3.3Å; G400-I402 PolarHBondContact O-N 2.86Å |
| 401 | D | 97.9 | Very high | 97 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -64.5 | -28.9 | 169.4 | -60.4 | -52.3 | 0 | 0 | 0 | 110.9 | A396 V536 | A396-D401 HydrophobicContact CB-CB 4.33Å; A396-D401 WeakPolarHBondContact O-CA 3.29Å; A396-D401 WeakPolarHBondContact O-CB 3.29Å; A396-D401 PolarHBondContact O-N 3.34Å; D401-V536 HydrophobicContact CB-CG1 4.01Å |
| 402 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -123.9 | 124.9 | 170.8 | -54.3 | -177.2 | 0 | 0 | 0 | 109 | A396 V397 G400 F404 I520 V536 F538 H539 V541 | A396-I402 HydrophobicContact CB-CD1 4.16Å; A396-I402 HydrophobicContact CB-CG1 4.24Å; A396-I402 PolarHBondContact O-N 3.45Å; A396-I402 VanDerWaalsContact O-N 3.14Å; V397-I402 HydrophobicContact CG2-CB 4.06Å; V397-I402 HydrophobicContact CG2-CG2 4.33Å; G400-I402 PolarHBondContact O-N 2.86Å; I402-F404 HydrophobicContact CG2-CE2 4.46Å; I402-I520 HydrophobicContact CD1-CB 4.41Å; I402-I520 HydrophobicContact CD1-CD1 3.79Å; I402-I520 HydrophobicContact CD1-CG1 3.72Å; I402-I520 HydrophobicContact CD1-CG2 3.77Å; I402-V536 HydrophobicContact CD1-CB 3.97Å; I402-V536 HydrophobicContact CD1-CG1 3.88Å; I402-V536 HydrophobicContact CG1-CB 3.9Å; I402-V536 HydrophobicContact CG1-CG1 3.68Å; I402-F538 HydrophobicContact CD1-CE2 4.47Å; I402-F538 HydrophobicContact CG2-CD2 4.09Å; I402-F538 HydrophobicContact CG2-CE2 4.06Å; I402-H539 WeakPolarHBondContact CA-O 3.33Å; I402-V541 HydrophobicContact CG2-CG2 3.76Å |
| 403 | Q | 98.2 | Very high | 96.9 | Very high | 105 Ų | 105 | 50.7 Ų | 50.7 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.3 | -178.6 | -61.4 | -178.4 | -5 | 0 | 0 | 111.4 | H539 T540 V541 | Q403-H539 PolarHBondContact N-O 2.96Å; Q403-T540 CarbonylContact O-C 3.59Å; Q403-T540 WeakPolarHBondContact O-CA 3.46Å; Q403-V541 PolarHBondContact O-N 3.46Å |
| 404 | F | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.1 | 172.2 | -74.5 | -106.9 | 0 | 0 | 0 | 111.1 | V397 I402 P406 K407 E410 Y413 I512 I516 V541 M543 | V397-F404 HydrophobicContact CG1-CD2 4.09Å; V397-F404 HydrophobicContact CG1-CE2 4.02Å; V397-F404 HydrophobicContact CG2-CE2 4.08Å; I402-F404 HydrophobicContact CG2-CE2 4.46Å; F404-P406 CarbonylContact O-C 3.58Å; F404-P406 VanDerWaalsContact O-C 3.25Å; F404-K407 VanDerWaalsContact O-CA 3.31Å; F404-K407 WeakPolarHBondContact O-CA 3.27Å; F404-K407 PolarHBondContact O-N 2.73Å; F404-K407 VanDerWaalsContact O-N 3.17Å; F404-E410 HydrophobicContact CB-CG 3.92Å; F404-E410 HydrophobicContact CD2-CG 3.85Å; F404-E410 HydrophobicContact CG-CG 4.18Å; F404-Y413 HydrophobicContact CE2-CD2 4.47Å; F404-Y413 HydrophobicContact CE2-CG 4.2Å; F404-Y413 AromaticContact CZ-CD2 3.96Å; F404-Y413 HydrophobicContact CZ-CD2 3.96Å; F404-Y413 HydrophobicContact CZ-CG 4Å; F404-I512 HydrophobicContact CE1-CD1 4.09Å; F404-I512 HydrophobicContact CE1-CG2 4.3Å; F404-I516 HydrophobicContact CE1-CG2 4.42Å; F404-I516 HydrophobicContact CZ-CG2 4.15Å; F404-V541 CarbonylContact C-O 3.51Å; F404-V541 WeakPolarHBondContact CA-O 3.44Å; F404-V541 HydrophobicContact CD1-CB 3.78Å; F404-V541 HydrophobicContact CD1-CG1 3.94Å; F404-V541 HydrophobicContact CD1-CG2 4.43Å; F404-V541 HydrophobicContact CE1-CB 3.88Å; F404-V541 HydrophobicContact CE1-CG1 3.76Å; F404-V541 HydrophobicContact CE1-CG2 4.17Å; F404-V541 HydrophobicContact CE2-CG2 4.27Å; F404-V541 HydrophobicContact CG-CB 4.12Å; F404-V541 HydrophobicContact CZ-CB 4.29Å; F404-V541 HydrophobicContact CZ-CG1 4.43Å; F404-V541 HydrophobicContact CZ-CG2 4.09Å; F404-M543 HydrophobicContact CD1-CG 3.86Å; F404-M543 HydrophobicContact CD1-SD 4.11Å; F404-M543 HydrophobicContact CE1-SD 4.2Å |
| 405 | V | 96.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 22% | 0.218 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 113.1 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | T540 V541 Y542 M543 F695 | V405-T540 HydrophobicContact CG2-CG2 3.8Å; V405-V541 PolarHBondContact N-O 3.21Å; V405-Y542 HydrophobicContact CB-CD2 4.28Å; V405-Y542 HydrophobicContact CG1-CD2 4.07Å; V405-M543 PolarHBondContact O-N 3.27Å; V405-F695 HydrophobicContact CG1-CB 3.98Å; V405-F695 HydrophobicContact CG1-CD2 4.3Å; V405-F695 HydrophobicContact CG1-CG 4.28Å; V405-F695 HydrophobicContact CG2-CD2 4.22Å; V405-F695 HydrophobicContact CG2-CE2 4.45Å |
| 406 | P | 95.2 | Very high | 96.3 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | S | Bend | cis | -70.1 | 152.5 | -5.9 | -18.1 | 31.4 | 0 | 0 | 0 | 114.7 | F404 Q408 Y409 T624 | F404-P406 CarbonylContact O-C 3.58Å; F404-P406 VanDerWaalsContact O-C 3.25Å; P406-Q408 HydrophobicContact CB-CG 4.36Å; P406-Q408 PolarHBondContact O-N 3.46Å; P406-Y409 HydrophobicContact CG-CE2 4.39Å; P406-Y409 WeakPolarHBondContact O-CD2 3.34Å; P406-Y409 PolarHBondContact O-N 2.82Å; P406-T624 HydrophobicContact CG-CG2 3.86Å |
| 407 | K | 95.1 | Very high | 96.2 | Very high | 150 Ų | 150 | 53.1 Ų | 53.1 | 65% | 0.652 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -29.7 | -176.5 | -167.3 | 171.7 | -173.9 | 172.3 | 0 | 115.1 | F404 Y409 E410 | F404-K407 VanDerWaalsContact O-CA 3.31Å; F404-K407 WeakPolarHBondContact O-CA 3.27Å; F404-K407 PolarHBondContact O-N 2.73Å; F404-K407 VanDerWaalsContact O-N 3.17Å; K407-Y409 PolarHBondContact O-N 2.95Å; K407-E410 WeakPolarHBondContact CE-OE2 3.26Å; K407-E410 HydrophobicContact CG-CG 4.43Å; K407-E410 WeakPolarHBondContact CG-OE2 3.38Å; K407-E410 WeakPolarHBondContact O-CB 3.49Å; K407-E410 WeakPolarHBondContact O-CG 3.16Å; K407-E410 PolarHBondContact O-N 3.24Å |
| 408 | Q | 94.4 | Very high | 95.9 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.9 | -178.6 | 71.7 | -173.5 | 2.5 | 0 | 0 | 114.3 | P406 E410 N411 | P406-Q408 HydrophobicContact CB-CG 4.36Å; P406-Q408 PolarHBondContact O-N 3.46Å; Q408-E410 VanDerWaalsContact C-N 3.28Å; Q408-E410 PolarHBondContact O-N 3.47Å; Q408-N411 PolarHBondContact O-N 3.03Å |
| 409 | Y | 96 | Very high | 95.4 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.9 | -14.1 | 179.7 | -68.7 | -64.3 | 0 | 0 | 0 | 113.6 | P406 K407 N411 M412 Y413 F509 I512 M543 | P406-Y409 HydrophobicContact CG-CE2 4.39Å; P406-Y409 WeakPolarHBondContact O-CD2 3.34Å; P406-Y409 PolarHBondContact O-N 2.82Å; K407-Y409 PolarHBondContact O-N 2.95Å; Y409-N411 VanDerWaalsContact C-N 3.29Å; Y409-N411 PolarHBondContact O-N 3.26Å; Y409-M412 HydrophobicContact CD1-CE 3.81Å; Y409-M412 HydrophobicContact CE1-CE 4.23Å; Y409-M412 WeakPolarHBondContact O-CB 3.16Å; Y409-M412 PolarHBondContact O-N 2.62Å; Y409-Y413 PolarHBondContact O-N 3.26Å; Y409-F509 HydrophobicContact CD1-CB 3.93Å; Y409-F509 HydrophobicContact CE1-CB 3.34Å; Y409-F509 HydrophobicContact CE1-CD1 4.26Å; Y409-F509 AromaticContact CE1-CG 3.83Å; Y409-F509 HydrophobicContact CE1-CG 3.83Å; Y409-F509 WeakPolarHBondContact OH-CD1 3.29Å; Y409-I512 HydrophobicContact CD1-CD1 4.25Å; Y409-I512 HydrophobicContact CG-CD1 4.4Å; Y409-M543 HydrophobicContact CD2-CB 3.27Å; Y409-M543 HydrophobicContact CD2-CG 3.54Å; Y409-M543 HydrophobicContact CE2-CB 3.39Å; Y409-M543 HydrophobicContact CE2-CG 4.17Å; Y409-M543 HydrophobicContact CG-CB 4Å; Y409-M543 HydrophobicContact CG-CG 3.83Å |
| 410 | E | 96.8 | Very high | 95.1 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 168.2 | -66.4 | 175.1 | -178.4 | 0 | 0 | 110.8 | V397 F404 K407 Q408 M412 Y413 F414 | V397-E410 HydrophobicContact CG1-CG 4.03Å; F404-E410 HydrophobicContact CB-CG 3.92Å; F404-E410 HydrophobicContact CD2-CG 3.85Å; F404-E410 HydrophobicContact CG-CG 4.18Å; K407-E410 WeakPolarHBondContact CE-OE2 3.26Å; K407-E410 HydrophobicContact CG-CG 4.43Å; K407-E410 WeakPolarHBondContact CG-OE2 3.38Å; K407-E410 WeakPolarHBondContact O-CB 3.49Å; K407-E410 WeakPolarHBondContact O-CG 3.16Å; K407-E410 PolarHBondContact O-N 3.24Å; Q408-E410 VanDerWaalsContact C-N 3.28Å; Q408-E410 PolarHBondContact O-N 3.47Å; E410-M412 PolarHBondContact O-N 2.73Å; E410-Y413 WeakPolarHBondContact O-CB 2.99Å; E410-Y413 PolarHBondContact O-N 3.32Å; E410-F414 HydrophobicContact CB-CD2 4.16Å; E410-F414 HydrophobicContact CB-CE2 3.76Å; E410-F414 HydrophobicContact CB-CZ 4.5Å; E410-F414 WeakPolarHBondContact O-CB 3.17Å; E410-F414 WeakPolarHBondContact O-CD2 3.32Å; E410-F414 VanDerWaalsContact O-CG 3.29Å; E410-F414 WeakPolarHBondContact O-CG 3.36Å; E410-F414 PolarHBondContact O-N 3.23Å |
| 411 | N | 95.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 62 Ų | 62 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.4 | -38.5 | 178.6 | -66.7 | -28.4 | 0 | 0 | 0 | 111.9 | Q408 Y409 S415 | Q408-N411 PolarHBondContact O-N 3.03Å; Y409-N411 VanDerWaalsContact C-N 3.29Å; Y409-N411 PolarHBondContact O-N 3.26Å; N411-S415 WeakPolarHBondContact O-CB 3.46Å; N411-S415 PolarHBondContact O-N 2.7Å |
| 412 | M | 93.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 178.4 | -154.7 | 172.6 | 62.5 | 0 | 0 | 110.4 | Y409 E410 S415 W416 F509 I512 | Y409-M412 HydrophobicContact CD1-CE 3.81Å; Y409-M412 HydrophobicContact CE1-CE 4.23Å; Y409-M412 WeakPolarHBondContact O-CB 3.16Å; Y409-M412 PolarHBondContact O-N 2.62Å; E410-M412 PolarHBondContact O-N 2.73Å; M412-S415 PolarHBondContact O-N 3.12Å; M412-W416 HydrophobicContact CB-CH2 4.47Å; M412-W416 HydrophobicContact CB-CZ3 4.14Å; M412-W416 HydrophobicContact CE-CH2 3.46Å; M412-W416 VanDerWaalsContact CE-CH2 3.46Å; M412-W416 HydrophobicContact CE-CZ3 3.66Å; M412-W416 HydrophobicContact CG-CE3 4.12Å; M412-W416 HydrophobicContact CG-CH2 3.35Å; M412-W416 HydrophobicContact CG-CZ2 3.87Å; M412-W416 HydrophobicContact CG-CZ3 3.45Å; M412-W416 VanDerWaalsContact CG-CZ3 3.45Å; M412-W416 VanDerWaalsContact O-CD2 3.32Å; M412-W416 PolarHBondContact O-N 3.35Å; M412-W416 HydrophobicContact SD-CH2 3.53Å; M412-W416 VanDerWaalsContact SD-CH2 3.53Å; M412-W416 HydrophobicContact SD-CZ2 4.21Å; M412-W416 HydrophobicContact SD-CZ3 4.07Å; M412-F509 HydrophobicContact CE-CB 3.83Å; M412-F509 HydrophobicContact CE-CD2 4.3Å; M412-F509 WeakPolarHBondContact CE-O 3.06Å; M412-I512 HydrophobicContact CE-CD1 3.36Å; M412-I512 HydrophobicContact CE-CG1 4.18Å |
| 413 | Y | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.2 | -52.2 | 172.8 | 173.7 | -96.3 | 0 | 0 | 0 | 112.2 | A393 V397 F404 Y409 E410 S415 W416 M417 I512 A517 I520 | A393-Y413 VanDerWaalsContact C-OH 3.27Å; A393-Y413 WeakPolarHBondContact CB-OH 3.44Å; A393-Y413 PolarHBondContact O-OH 3.31Å; A393-Y413 VanDerWaalsContact O-OH 3.1Å; V397-Y413 HydrophobicContact CB-CD1 4.28Å; V397-Y413 HydrophobicContact CB-CE1 3.97Å; V397-Y413 HydrophobicContact CG1-CD1 4.3Å; V397-Y413 HydrophobicContact CG1-CE1 4.48Å; V397-Y413 HydrophobicContact CG2-CD1 3.95Å; V397-Y413 HydrophobicContact CG2-CE1 3.43Å; V397-Y413 VanDerWaalsContact CG2-CE1 3.43Å; F404-Y413 HydrophobicContact CE2-CD2 4.47Å; F404-Y413 HydrophobicContact CE2-CG 4.2Å; F404-Y413 AromaticContact CZ-CD2 3.96Å; F404-Y413 HydrophobicContact CZ-CD2 3.96Å; F404-Y413 HydrophobicContact CZ-CG 4Å; Y409-Y413 PolarHBondContact O-N 3.26Å; E410-Y413 WeakPolarHBondContact O-CB 2.99Å; E410-Y413 PolarHBondContact O-N 3.32Å; Y413-S415 PolarHBondContact O-N 3.11Å; Y413-W416 PolarHBondContact O-N 3.07Å; Y413-M417 HydrophobicContact CD1-CG 4.18Å; Y413-M417 HydrophobicContact CD2-CG 3.96Å; Y413-M417 HydrophobicContact CE1-CB 4.44Å; Y413-M417 HydrophobicContact CE1-CG 3.8Å; Y413-M417 HydrophobicContact CE2-CG 3.57Å; Y413-M417 HydrophobicContact CE2-SD 4.14Å; Y413-M417 HydrophobicContact CG-CG 4.25Å; Y413-M417 VanDerWaalsContact CZ-CG 3.49Å; Y413-M417 WeakPolarHBondContact O-CG 3.44Å; Y413-M417 PolarHBondContact O-N 3.09Å; Y413-I512 HydrophobicContact CD2-CG2 4.07Å; Y413-A517 HydrophobicContact CD2-CB 4.44Å; Y413-A517 HydrophobicContact CE2-CB 3.98Å; Y413-I520 HydrophobicContact CE2-CD1 3.83Å |
| 414 | F | 97 | Very high | 94 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | -179.3 | -66.8 | -45.6 | 0 | 0 | 0 | 113.1 | V394 V397 E398 E410 W416 M417 R418 | V394-F414 HydrophobicContact CG1-CD1 4.13Å; V394-F414 HydrophobicContact CG1-CE1 4.15Å; V397-F414 HydrophobicContact CB-CE1 3.83Å; V397-F414 HydrophobicContact CB-CZ 3.92Å; V397-F414 HydrophobicContact CG1-CE1 3.89Å; V397-F414 HydrophobicContact CG1-CE2 4.37Å; V397-F414 HydrophobicContact CG1-CZ 3.55Å; E398-F414 HydrophobicContact CG-CE1 3.57Å; E398-F414 HydrophobicContact CG-CZ 3.6Å; E410-F414 HydrophobicContact CB-CD2 4.16Å; E410-F414 HydrophobicContact CB-CE2 3.76Å; E410-F414 HydrophobicContact CB-CZ 4.5Å; E410-F414 WeakPolarHBondContact O-CB 3.17Å; E410-F414 WeakPolarHBondContact O-CD2 3.32Å; E410-F414 VanDerWaalsContact O-CG 3.29Å; E410-F414 WeakPolarHBondContact O-CG 3.36Å; E410-F414 PolarHBondContact O-N 3.23Å; F414-W416 PolarHBondContact O-N 3.27Å; F414-M417 PolarHBondContact O-N 3.11Å; F414-R418 WeakPolarHBondContact O-CB 3.32Å; F414-R418 VanDerWaalsContact O-CG 3.31Å; F414-R418 WeakPolarHBondContact O-CG 3.47Å; F414-R418 PolarHBondContact O-N 3.23Å |
| 415 | S | 93.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 52% | 0.517 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.6 | -35.3 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | N411 M412 Y413 | N411-S415 WeakPolarHBondContact O-CB 3.46Å; N411-S415 PolarHBondContact O-N 2.7Å; M412-S415 PolarHBondContact O-N 3.12Å; Y413-S415 PolarHBondContact O-N 3.11Å |
| 416 | W | 90.5 | Very high | 93.8 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 28% | 0.284 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -85.1 | -40.8 | 177.7 | -65.7 | -53 | 0 | 0 | 0 | 113.1 | M412 Y413 F414 R418 D419 I420 I512 F513 | M412-W416 HydrophobicContact CB-CH2 4.47Å; M412-W416 HydrophobicContact CB-CZ3 4.14Å; M412-W416 HydrophobicContact CE-CH2 3.46Å; M412-W416 VanDerWaalsContact CE-CH2 3.46Å; M412-W416 HydrophobicContact CE-CZ3 3.66Å; M412-W416 HydrophobicContact CG-CE3 4.12Å; M412-W416 HydrophobicContact CG-CH2 3.35Å; M412-W416 HydrophobicContact CG-CZ2 3.87Å; M412-W416 HydrophobicContact CG-CZ3 3.45Å; M412-W416 VanDerWaalsContact CG-CZ3 3.45Å; M412-W416 VanDerWaalsContact O-CD2 3.32Å; M412-W416 PolarHBondContact O-N 3.35Å; M412-W416 HydrophobicContact SD-CH2 3.53Å; M412-W416 VanDerWaalsContact SD-CH2 3.53Å; M412-W416 HydrophobicContact SD-CZ2 4.21Å; M412-W416 HydrophobicContact SD-CZ3 4.07Å; Y413-W416 PolarHBondContact O-N 3.07Å; F414-W416 PolarHBondContact O-N 3.27Å; W416-R418 VanDerWaalsContact C-N 3.32Å; W416-R418 PolarHBondContact O-N 2.82Å; W416-D419 PolarHBondContact O-N 3.3Å; W416-I420 PolarHBondContact O-N 3.21Å; W416-I512 HydrophobicContact CE3-CG2 4.3Å; W416-I512 HydrophobicContact CZ3-CB 3.8Å; W416-I512 HydrophobicContact CZ3-CG2 3.91Å; W416-F513 HydrophobicContact CB-CD2 3.47Å; W416-F513 VanDerWaalsContact CB-CD2 3.47Å; W416-F513 HydrophobicContact CB-CE2 3.95Å; W416-F513 HydrophobicContact CB-CG 4.43Å; W416-F513 HydrophobicContact CD2-CB 4.02Å; W416-F513 HydrophobicContact CD2-CD2 4.38Å; W416-F513 HydrophobicContact CE3-CB 3.94Å; W416-F513 HydrophobicContact CG-CB 4.38Å; W416-F513 AromaticContact CG-CD2 3.89Å; W416-F513 HydrophobicContact CG-CD2 3.89Å; W416-F513 HydrophobicContact CG-CG 4.43Å; W416-F513 HydrophobicContact CZ3-CB 4.31Å |
| 417 | M | 94.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.1 | -28.8 | -174.2 | -70.2 | -60.6 | -72 | 0 | 0 | 113.4 | A390 A393 V394 Y413 F414 I420 A517 M521 | A390-M417 HydrophobicContact CB-CE 3.57Å; A393-M417 HydrophobicContact CB-CE 3.77Å; V394-M417 HydrophobicContact CG2-CB 3.45Å; V394-M417 VanDerWaalsContact CG2-CB 3.45Å; V394-M417 HydrophobicContact CG2-CG 4.33Å; Y413-M417 HydrophobicContact CD1-CG 4.18Å; Y413-M417 HydrophobicContact CD2-CG 3.96Å; Y413-M417 HydrophobicContact CE1-CB 4.44Å; Y413-M417 HydrophobicContact CE1-CG 3.8Å; Y413-M417 HydrophobicContact CE2-CG 3.57Å; Y413-M417 HydrophobicContact CE2-SD 4.14Å; Y413-M417 HydrophobicContact CG-CG 4.25Å; Y413-M417 VanDerWaalsContact CZ-CG 3.49Å; Y413-M417 WeakPolarHBondContact O-CG 3.44Å; Y413-M417 PolarHBondContact O-N 3.09Å; F414-M417 PolarHBondContact O-N 3.11Å; M417-I420 WeakPolarHBondContact O-CG2 3.31Å; M417-I420 HydrophobicContact SD-CD1 4.04Å; M417-A517 HydrophobicContact SD-CB 3.57Å; M417-A517 VanDerWaalsContact SD-CB 3.57Å; M417-M521 HydrophobicContact CE-CG 3.84Å; M417-M521 HydrophobicContact CE-SD 3.94Å |
| 418 | R | 92.8 | Very high | 93.7 | Very high | 155 Ų | 155 | 49.3 Ų | 49.3 | 59% | 0.585 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -26.2 | 179.2 | -70.6 | 174 | 177.5 | 166.5 | 0.1 | 113.4 | E398 F414 W416 | E398-R418 IonicContact OE1-CZ 2.71Å; E398-R418 IonicContact OE1-NE 2.63Å; E398-R418 IonicContact OE1-NH2 3.36Å; E398-R418 PolarHBondContact OE1-NH2 3.23Å; F414-R418 WeakPolarHBondContact O-CB 3.32Å; F414-R418 VanDerWaalsContact O-CG 3.31Å; F414-R418 WeakPolarHBondContact O-CG 3.47Å; F414-R418 PolarHBondContact O-N 3.23Å; W416-R418 VanDerWaalsContact C-N 3.32Å; W416-R418 PolarHBondContact O-N 2.82Å |
| 419 | D | 87.4 | Confident | 93.7 | Very high | 123 Ų | 123 | 44.9 Ų | 44.9 | 66% | 0.658 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 18.7 | -179.4 | -63.2 | -37.2 | 0 | 0 | 0 | 112.6 | W416 Q421 | W416-D419 PolarHBondContact O-N 3.3Å; D419-Q421 PolarHBondContact O-N 2.99Å; D419-Q421 PolarHBondContact O-NE2 3.11Å; D419-Q421 VanDerWaalsContact O-NE2 3.13Å |
| 420 | I | 91.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 134.1 | -172.5 | -164.3 | 166 | 0 | 0 | 0 | 112 | A386 A390 W416 M417 F513 M521 | A386-I420 HydrophobicContact CB-CD1 3.87Å; A386-I420 HydrophobicContact CB-CG1 3.86Å; A386-I420 HydrophobicContact CB-CG2 4.25Å; A390-I420 HydrophobicContact CB-CG2 3.68Å; W416-I420 PolarHBondContact O-N 3.21Å; M417-I420 WeakPolarHBondContact O-CG2 3.31Å; M417-I420 HydrophobicContact SD-CD1 4.04Å; I420-F513 HydrophobicContact CD1-CE2 4.09Å; I420-F513 HydrophobicContact CD1-CZ 4.45Å; I420-F513 HydrophobicContact CG1-CE2 4.13Å; I420-F513 HydrophobicContact CG1-CZ 4.32Å; I420-M521 HydrophobicContact CD1-CE 3.91Å; I420-M521 HydrophobicContact CD1-SD 3.99Å |
| 421 | Q | 88.2 | Confident | 93.6 | Very high | 142 Ų | 142 | 45.8 Ų | 45.8 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -97 | 162.3 | 174.5 | -58.6 | -56.2 | -54.9 | 0 | 0 | 110.9 | A386 D419 W423 | A386-Q421 VanDerWaalsContact CB-O 3.29Å; A386-Q421 WeakPolarHBondContact CB-O 3.46Å; D419-Q421 PolarHBondContact O-N 2.99Å; D419-Q421 PolarHBondContact O-NE2 3.11Å; D419-Q421 VanDerWaalsContact O-NE2 3.13Å; Q421-W423 PolarHBondContact O-N 3.31Å |
| 422 | D | 92.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -53.2 | 128.9 | 173.1 | -71.4 | -19.6 | 0 | 0 | 0 | 111 | Y167 R171 Y383 V384 R385 C424 | Y167-D422 PolarHBondContact OH-OD2 3.27Å; R171-D422 IonicContact CZ-OD2 3.1Å; R171-D422 IonicContact NH1-OD2 2.85Å; R171-D422 PolarHBondContact NH1-OD2 2.87Å; R171-D422 IonicContact NH2-OD2 3.87Å; Y383-D422 HydrophobicContact CD1-CB 4.12Å; V384-D422 CarbonylContact O-C 3.53Å; V384-D422 WeakPolarHBondContact O-CA 3.35Å; R385-D422 WeakPolarHBondContact CA-OD1 3.5Å; D422-C424 PolarHBondContact O-N 3.1Å |
| 423 | W | 93.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 112 | -172.6 | 172 | 18.5 | 0 | 0 | 0 | 110.2 | Y383 V384 Q421 I425 D474 W476 F477 A480 R518 M522 | Y383-W423 CarbonylContact C-O 3.53Å; Y383-W423 VanDerWaalsContact CA-O 3.25Å; Y383-W423 WeakPolarHBondContact CA-O 3.45Å; V384-W423 HydrophobicContact CB-CB 4.36Å; V384-W423 HydrophobicContact CB-CE3 4.43Å; V384-W423 HydrophobicContact CG2-CE3 4.43Å; V384-W423 PolarHBondContact N-O 3.12Å; V384-W423 PolarHBondContact O-N 3.03Å; Q421-W423 PolarHBondContact O-N 3.31Å; W423-I425 HydrophobicContact CD2-CG2 3.56Å; W423-I425 HydrophobicContact CE3-CG2 4.06Å; W423-I425 HydrophobicContact CG-CG2 3.81Å; W423-I425 HydrophobicContact CZ2-CG2 4.03Å; W423-I425 PolarHBondContact O-N 3.29Å; W423-D474 HydrophobicContact CZ2-CB 4.48Å; W423-D474 PolarHBondContact NE1-OD2 3.23Å; W423-W476 HydrophobicContact CH2-CB 4.39Å; W423-W476 HydrophobicContact CZ2-CB 3.78Å; W423-F477 VanDerWaalsContact CH2-CA 3.48Å; W423-F477 HydrophobicContact CH2-CB 4.11Å; W423-F477 HydrophobicContact CH2-CD2 4.12Å; W423-F477 HydrophobicContact CZ2-CB 4.12Å; W423-F477 HydrophobicContact CZ3-CD2 4.33Å; W423-A480 HydrophobicContact CH2-CB 4.37Å; W423-R518 VanDerWaalsContact CE2-CZ 3.46Å; W423-R518 HydrophobicContact CE3-CG 4.48Å; W423-R518 HydrophobicContact CH2-CB 4.2Å; W423-R518 HydrophobicContact CH2-CG 4.26Å; W423-R518 VanDerWaalsContact CZ2-CD 3.46Å; W423-R518 HydrophobicContact CZ3-CB 4.11Å; W423-R518 HydrophobicContact CZ3-CG 4.14Å; W423-M522 HydrophobicContact CE3-CE 4.19Å; W423-M522 HydrophobicContact CH2-CE 4.4Å; W423-M522 HydrophobicContact CZ3-CE 3.52Å |
| 424 | C | 93.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 14% | 0.142 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 110.3 | 170.2 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | Y383 D422 R427 | Y383-C424 HydrophobicContact CD1-CB 4Å; Y383-C424 HydrophobicContact CE1-CB 3.6Å; D422-C424 PolarHBondContact O-N 3.1Å; C424-R427 PolarHBondContact O-NH1 3.29Å; C424-R427 PolarHBondContact O-NH2 2.93Å |
| 425 | I | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -106.3 | 2.1 | -174.1 | 55.3 | 158 | 0 | 0 | 0 | 114 | F157 I166 W382 V384 W423 L473 D474 F477 | F157-I425 HydrophobicContact CD2-CD1 4.15Å; F157-I425 HydrophobicContact CE2-CD1 3.82Å; I166-I425 HydrophobicContact CD1-CD1 3.8Å; I166-I425 HydrophobicContact CG1-CD1 4.14Å; I166-I425 HydrophobicContact CG2-CD1 4.44Å; W382-I425 HydrophobicContact CB-CD1 4.16Å; W382-I425 HydrophobicContact CB-CG1 3.82Å; W382-I425 VanDerWaalsContact O-CG1 3.29Å; W382-I425 WeakPolarHBondContact O-CG1 3.25Å; W382-I425 PolarHBondContact O-N 2.82Å; V384-I425 HydrophobicContact CG2-CD1 3.87Å; V384-I425 HydrophobicContact CG2-CG1 4.28Å; V384-I425 HydrophobicContact CG2-CG2 3.71Å; W423-I425 HydrophobicContact CD2-CG2 3.56Å; W423-I425 HydrophobicContact CE3-CG2 4.06Å; W423-I425 HydrophobicContact CG-CG2 3.81Å; W423-I425 HydrophobicContact CZ2-CG2 4.03Å; W423-I425 PolarHBondContact O-N 3.29Å; I425-L473 HydrophobicContact CB-CD2 4.44Å; I425-L473 HydrophobicContact CD1-CD2 3.97Å; I425-L473 HydrophobicContact CG1-CD2 4.48Å; I425-L473 CarbonylContact O-C 3.55Å; I425-L473 WeakPolarHBondContact O-CA 3.48Å; I425-D474 PolarHBondContact O-N 3.29Å; I425-F477 HydrophobicContact CB-CD2 4.13Å; I425-F477 HydrophobicContact CD1-CD2 4.2Å; I425-F477 HydrophobicContact CD1-CE2 3.89Å; I425-F477 HydrophobicContact CG2-CD2 3.65Å; I425-F477 HydrophobicContact CG2-CE2 4.25Å | ||
| 426 | S | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.1 | 175 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | Q381 W382 V472 | Q381-S426 VanDerWaalsContact CA-OG 3.3Å; Q381-S426 WeakPolarHBondContact CA-OG 3.23Å; Q381-S426 WeakPolarHBondContact CB-OG 3.38Å; Q381-S426 PolarHBondContact OE1-O 2.77Å; Q381-S426 PolarHBondContact OE1-OG 3.25Å; W382-S426 PolarHBondContact N-OG 2.95Å; S426-V472 CarbonylContact C-O 3.5Å; S426-V472 WeakPolarHBondContact CA-O 3.48Å |
| 427 | R | 94.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 6% | 0.057 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 138.6 | 178.3 | -61 | -66.6 | -179.6 | -84.2 | -6.6 | 109.7 | A182 C424 L429 D471 V472 D474 | A182-R427 WeakPolarHBondContact O-CD 3.35Å; C424-R427 PolarHBondContact O-NH1 3.29Å; C424-R427 PolarHBondContact O-NH2 2.93Å; R427-L429 HydrophobicContact CB-CD1 3.74Å; R427-L429 HydrophobicContact CB-CG 3.99Å; R427-L429 HydrophobicContact CG-CD1 4.4Å; R427-L429 PolarHBondContact O-N 3.47Å; R427-D471 WeakPolarHBondContact O-CA 3.3Å; R427-D471 WeakPolarHBondContact O-CB 3.48Å; R427-V472 HydrophobicContact CB-CG2 4.15Å; R427-V472 PolarHBondContact N-O 2.93Å; R427-V472 PolarHBondContact O-N 3.33Å; R427-D474 IonicContact CZ-OD1 3.6Å; R427-D474 IonicContact NE-OD1 2.62Å; R427-D474 IonicContact NH2-OD1 3.78Å; R427-D474 PolarHBondContact NH2-OD1 3.4Å; R427-D474 IonicContact NH2-OD2 3.25Å; R427-D474 PolarHBondContact NH2-OD2 3.31Å; R427-D474 VanDerWaalsContact NH2-OD2 3.17Å |
| 428 | Q | 94 | Very high | 94.8 | Very high | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -85.1 | 62.9 | -178.9 | -70.5 | 65.6 | 51.3 | 0 | 0 | 110.1 | W175 R180 T181 D471 | W175-Q428 HydrophobicContact CH2-CG 4.11Å; W175-Q428 HydrophobicContact CZ3-CG 4.35Å; R180-Q428 VanDerWaalsContact O-CB 3.28Å; R180-Q428 WeakPolarHBondContact O-CB 3.45Å; T181-Q428 PolarHBondContact OG1-N 3.33Å; Q428-D471 WeakPolarHBondContact CG-OD1 3.15Å; Q428-D471 VanDerWaalsContact NE2-CG 3.32Å; Q428-D471 PolarHBondContact NE2-OD1 3.4Å; Q428-D471 PolarHBondContact NE2-OD2 3.09Å |
| 429 | L | 93.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | trans | -123.2 | 165.6 | -177.7 | -55.9 | 166.5 | 0 | 0 | 0 | 110 | I84 R107 T181 R427 V472 | I84-L429 HydrophobicContact CB-CD1 3.67Å; I84-L429 HydrophobicContact CB-CD2 4.01Å; I84-L429 HydrophobicContact CB-CG 4.5Å; I84-L429 HydrophobicContact CD1-CD2 4.18Å; I84-L429 HydrophobicContact CG1-CD1 4.46Å; I84-L429 HydrophobicContact CG1-CD2 3.9Å; R107-L429 PolarHBondContact NH2-O 3.49Å; T181-L429 HydrophobicContact CG2-CD2 4.41Å; R427-L429 HydrophobicContact CB-CD1 3.74Å; R427-L429 HydrophobicContact CB-CG 3.99Å; R427-L429 HydrophobicContact CG-CD1 4.4Å; R427-L429 PolarHBondContact O-N 3.47Å; L429-V472 HydrophobicContact CB-CG2 3.71Å; L429-V472 HydrophobicContact CD1-CG2 4.26Å; L429-V472 HydrophobicContact CG-CG2 4.45Å | ||
| 430 | W | 95.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 24 Ų | 24 | 19% | 0.186 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -96.5 | -29.4 | 174.6 | -69.3 | -1.7 | 0 | 0 | 0 | 111.8 | R102 H103 R107 F110 | R102-W430 HydrophobicContact CB-CE3 4.01Å; R102-W430 HydrophobicContact CB-CH2 4.38Å; R102-W430 HydrophobicContact CB-CZ3 3.7Å; R102-W430 HydrophobicContact CG-CE3 4.26Å; R102-W430 HydrophobicContact CG-CH2 4.15Å; R102-W430 HydrophobicContact CG-CZ3 3.93Å; R102-W430 VanDerWaalsContact O-CZ3 3.27Å; R102-W430 WeakPolarHBondContact O-CZ3 3.39Å; H103-W430 AromaticContact ND1-CH2 3.91Å; R107-W430 HydrophobicContact CB-CD2 4.2Å; R107-W430 HydrophobicContact CB-CE3 4.16Å; R107-W430 HydrophobicContact CB-CZ3 4.43Å; R107-W430 HydrophobicContact CG-CB 4.17Å; R107-W430 HydrophobicContact CG-CD2 4.09Å; R107-W430 HydrophobicContact CG-CE3 4.32Å; R107-W430 HydrophobicContact CG-CG 4.02Å; R107-W430 PolarHBondContact NH2-O 3.01Å; F110-W430 HydrophobicContact CB-CE3 4.03Å; F110-W430 HydrophobicContact CB-CZ3 4.14Å; F110-W430 HydrophobicContact CD1-CB 4.27Å; F110-W430 AromaticContact CD1-CE3 3.62Å; F110-W430 HydrophobicContact CD1-CE3 3.62Å; F110-W430 HydrophobicContact CD1-CZ3 4.4Å; F110-W430 HydrophobicContact CE1-CB 4.46Å; F110-W430 HydrophobicContact CE1-CE3 4.38Å; F110-W430 HydrophobicContact CG-CE3 4.05Å; F110-W430 HydrophobicContact CG-CZ3 4.4Å |
| 431 | W | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -97.4 | 120.7 | -179.6 | -177 | -112.6 | 0 | 0 | 0 | 112.8 | H81 Q87 I111 I114 W115 F143 M145 | H81-W431 HydrophobicContact CB-CZ2 4.19Å; H81-W431 AromaticContact CD2-NE1 3.93Å; H81-W431 PolarHBondContact O-NE1 3.25Å; Q87-W431 HydrophobicContact CB-CB 4.18Å; I111-W431 HydrophobicContact CG2-CE3 4.27Å; I111-W431 HydrophobicContact CG2-CZ3 4.05Å; I114-W431 HydrophobicContact CB-CD2 4Å; I114-W431 HydrophobicContact CB-CE3 3.74Å; I114-W431 HydrophobicContact CB-CH2 4.39Å; I114-W431 HydrophobicContact CB-CZ3 3.95Å; I114-W431 HydrophobicContact CD1-CB 3.52Å; I114-W431 HydrophobicContact CD1-CD2 3.99Å; I114-W431 HydrophobicContact CD1-CE3 4.07Å; I114-W431 HydrophobicContact CD1-CG 3.75Å; I114-W431 HydrophobicContact CG2-CD2 3.37Å; I114-W431 HydrophobicContact CG2-CE3 3.6Å; I114-W431 HydrophobicContact CG2-CG 3.92Å; I114-W431 HydrophobicContact CG2-CH2 3.82Å; I114-W431 HydrophobicContact CG2-CZ2 3.6Å; I114-W431 HydrophobicContact CG2-CZ3 3.81Å; W115-W431 AromaticContact CD1-CZ3 3.87Å; W115-W431 AromaticContact CD2-CH2 3.77Å; W115-W431 HydrophobicContact CD2-CH2 3.77Å; W115-W431 HydrophobicContact CD2-CZ3 4.19Å; W115-W431 AromaticContact CE2-CH2 3.64Å; W115-W431 AromaticContact CE2-CZ3 3.85Å; W115-W431 HydrophobicContact CE3-CH2 4.21Å; W115-W431 HydrophobicContact CG-CH2 4.16Å; W115-W431 HydrophobicContact CG-CZ3 4.21Å; W115-W431 HydrophobicContact CH2-CH2 4.42Å; W115-W431 AromaticContact CZ2-CH2 3.99Å; W115-W431 HydrophobicContact CZ2-CH2 3.99Å; W115-W431 HydrophobicContact CZ2-CZ3 4.43Å; W115-W431 AromaticContact NE1-CH2 3.92Å; W115-W431 AromaticContact NE1-CZ3 3.63Å; F143-W431 HydrophobicContact CE1-CZ2 4.33Å; F143-W431 HydrophobicContact CZ-CZ2 4.01Å; M145-W431 HydrophobicContact CE-CH2 4.45Å; M145-W431 HydrophobicContact CE-CZ3 4.39Å; M145-W431 HydrophobicContact SD-CD2 4.34Å; M145-W431 HydrophobicContact SD-CH2 4.18Å; M145-W431 HydrophobicContact SD-CZ2 3.86Å |
| 432 | G | 97 | Very high | 95.8 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 8% | 0.082 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 144.7 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | M145 R434 | M145-G432 WeakPolarHBondContact CE-O 3.15Å; G432-R434 PolarHBondContact O-N 3.03Å |
| 433 | H | 97.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 7% | 0.069 | 15% | 0.146 | C | C | . | . | trans | -72 | 111.9 | 175.3 | -67.5 | -83.4 | 0 | 0 | 0 | 110.1 | T144 S150 V153 I435 V472 L473 S478 | T144-H433 PolarHBondContact O-CE1 3.48Å; T144-H433 PolarHBondContact O-NE2 2.67Å; S150-H433 PolarHBondContact OG-CE1 3.44Å; V153-H433 HydrophobicContact CG1-CB 4Å; H433-I435 PolarHBondContact O-N 3.24Å; H433-V472 CarbonylContact O-C 3.47Å; H433-V472 WeakPolarHBondContact O-CA 3.21Å; H433-V472 WeakPolarHBondContact O-CB 3.38Å; H433-L473 HydrophobicContact CB-CB 4.24Å; H433-L473 HydrophobicContact CB-CD1 3.97Å; H433-L473 HydrophobicContact CB-CG 4.42Å; H433-L473 PolarHBondContact O-N 2.84Å; H433-S478 VanDerWaalsContact CD2-CB 3.49Å; H433-S478 WeakPolarHBondContact CD2-CB 3.16Å; H433-S478 WeakPolarHBondContact NE2-CB 3.31Å | ||
| 434 | R | 97.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 29.4 Ų | 29.4 | 23% | 0.234 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -57.5 | 135.4 | 172.3 | -73.4 | -167.5 | 70.4 | 166.1 | 4.1 | 110.2 | G432 Q468 D469 E470 V472 | G432-R434 PolarHBondContact O-N 3.03Å; R434-Q468 PolarHBondContact NH2-O 2.99Å; R434-D469 PolarHBondContact NE-O 3.15Å; R434-D469 VanDerWaalsContact NH2-C 3.33Å; R434-D469 PolarHBondContact NH2-O 3.03Å; R434-E470 IonicContact CZ-OE1 3.17Å; R434-E470 IonicContact NH1-OE1 2.69Å; R434-E470 IonicContact NH2-OE1 3.18Å; R434-E470 PolarHBondContact NH2-OE1 2.83Å; R434-E470 IonicContact NH2-OE2 2.72Å; R434-V472 HydrophobicContact CG-CG1 4.42Å |
| 435 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -61 | 128.2 | -180 | -62.7 | 176.8 | 0 | 0 | 0 | 108.4 | F157 W382 H433 A437 Q468 D469 D471 L473 | F157-I435 HydrophobicContact CE1-CG2 4.18Å; F157-I435 HydrophobicContact CE2-CG2 3.77Å; F157-I435 HydrophobicContact CZ-CG2 3.47Å; F157-I435 VanDerWaalsContact CZ-CG2 3.47Å; W382-I435 VanDerWaalsContact CD1-CD1 3.4Å; W382-I435 HydrophobicContact CD2-CG2 4.42Å; W382-I435 HydrophobicContact CG-CD1 4.07Å; W382-I435 HydrophobicContact CZ2-CG2 4.41Å; H433-I435 PolarHBondContact O-N 3.24Å; I435-A437 HydrophobicContact CG2-CB 3.94Å; I435-A437 PolarHBondContact O-N 3.48Å; I435-Q468 PolarHBondContact O-NE2 3.41Å; I435-D469 HydrophobicContact CB-CB 3.96Å; I435-D469 HydrophobicContact CG2-CB 4.33Å; I435-D471 HydrophobicContact CD1-CB 3.8Å; I435-D471 PolarHBondContact N-O 2.77Å; I435-D471 VanDerWaalsContact N-O 3.12Å; I435-L473 HydrophobicContact CD1-CD2 4.47Å; I435-L473 HydrophobicContact CG1-CD2 3.83Å; I435-L473 HydrophobicContact CG1-CG 3.97Å | ||
| 436 | P | 98.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -81 | 60 | -177.9 | 33.9 | -34.9 | 0 | 0 | 0 | 110.7 | K154 F157 W438 V447 G448 | K154-P436 HydrophobicContact CG-CB 4.45Å; F157-P436 HydrophobicContact CB-CG 3.75Å; F157-P436 HydrophobicContact CD1-CG 3.44Å; F157-P436 VanDerWaalsContact CD1-CG 3.44Å; F157-P436 HydrophobicContact CD2-CG 4.38Å; F157-P436 HydrophobicContact CE1-CG 4.11Å; F157-P436 HydrophobicContact CG-CG 3.59Å; P436-W438 HydrophobicContact CB-CH2 4.43Å; P436-W438 HydrophobicContact CB-CZ3 4.25Å; P436-W438 WeakPolarHBondContact O-CZ3 3.18Å; P436-V447 WeakPolarHBondContact O-CA 3.21Å; P436-G448 WeakPolarHBondContact CB-O 3.29Å; P436-G448 PolarHBondContact O-N 2.69Å |
| 437 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | W382 I435 V445 Y446 V447 Q468 D469 | W382-A437 HydrophobicContact CH2-CB 3.99Å; W382-A437 HydrophobicContact CZ2-CB 3.53Å; I435-A437 HydrophobicContact CG2-CB 3.94Å; I435-A437 PolarHBondContact O-N 3.48Å; A437-V445 HydrophobicContact CB-CG1 4.22Å; A437-Y446 CarbonylContact C-O 3.41Å; A437-Y446 VanDerWaalsContact CA-O 3.31Å; A437-Y446 WeakPolarHBondContact CA-O 3.42Å; A437-V447 HydrophobicContact CB-CG2 3.97Å; A437-Q468 CarbonylContact O-C 3.55Å; A437-Q468 WeakPolarHBondContact O-CA 3.23Å; A437-Q468 WeakPolarHBondContact O-CG 3.24Å; A437-D469 HydrophobicContact CB-CB 4.4Å; A437-D469 PolarHBondContact O-N 3.34Å |
| 438 | W | 98.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 32 Ų | 32 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.9 | 179.9 | -71.7 | -108.5 | 0 | 0 | 0 | 110.2 | P436 Y446 G448 E451 V454 L466 R467 Q468 | P436-W438 HydrophobicContact CB-CH2 4.43Å; P436-W438 HydrophobicContact CB-CZ3 4.25Å; P436-W438 WeakPolarHBondContact O-CZ3 3.18Å; W438-Y446 PolarHBondContact N-O 2.93Å; W438-Y446 PolarHBondContact O-N 3.13Å; W438-G448 WeakPolarHBondContact CZ3-O 3.43Å; W438-E451 HydrophobicContact CZ2-CB 4.24Å; W438-V454 HydrophobicContact CD2-CG2 4.25Å; W438-V454 HydrophobicContact CE3-CG2 3.59Å; W438-V454 HydrophobicContact CZ3-CG2 3.97Å; W438-L466 HydrophobicContact CB-CB 4.32Å; W438-L466 HydrophobicContact CB-CD2 4.46Å; W438-L466 HydrophobicContact CG-CB 4.49Å; W438-R467 CarbonylContact C-O 3.58Å; W438-R467 WeakPolarHBondContact CA-O 3.38Å; W438-Q468 HydrophobicContact CD2-CB 4.42Å; W438-Q468 HydrophobicContact CD2-CG 4.32Å; W438-Q468 HydrophobicContact CG-CB 4.39Å; W438-Q468 HydrophobicContact CZ2-CB 4.49Å; W438-Q468 HydrophobicContact CZ2-CG 4.08Å |
| 439 | Y | 96.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.9 | 177 | -55.7 | -80.1 | 0 | 0 | 0 | 110.1 | R168 N444 V445 L466 R467 D469 | R168-Y439 PolarHBondContact NE-OH 3.33Å; R168-Y439 PolarHBondContact NH1-OH 2.84Å; R168-Y439 VanDerWaalsContact NH1-OH 3.16Å; R168-Y439 PolarHBondContact NH2-OH 3.49Å; Y439-N444 WeakPolarHBondContact CA-O 3.49Å; Y439-V445 HydrophobicContact CD1-CB 4.36Å; Y439-V445 HydrophobicContact CD1-CG1 4.28Å; Y439-V445 HydrophobicContact CD1-CG2 3.82Å; Y439-V445 HydrophobicContact CE1-CB 4.09Å; Y439-V445 HydrophobicContact CE1-CG1 3.71Å; Y439-V445 HydrophobicContact CE1-CG2 3.48Å; Y439-V445 VanDerWaalsContact CE1-CG2 3.48Å; Y439-L466 WeakPolarHBondContact O-CA 3.36Å; Y439-R467 PolarHBondContact N-O 3.05Å; Y439-R467 PolarHBondContact O-N 3.02Å; Y439-D469 HydrophobicContact CE2-CB 3.65Å; Y439-D469 WeakPolarHBondContact CE2-OD2 3.3Å; Y439-D469 PolarHBondContact OH-OD2 2.98Å |
| 440 | D | 96.5 | Very high | 96.4 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -85.4 | 175.8 | 162.3 | 66.2 | 22.6 | 0 | 0 | 0 | 111.4 | A442 G443 N444 Y446 V464 L466 | D440-A442 PolarHBondContact O-N 3.17Å; D440-A442 WeakPolarHBondContact OD1-CA 3.35Å; D440-A442 WeakPolarHBondContact OD1-CB 3.37Å; D440-A442 PolarHBondContact OD1-N 3.08Å; D440-G443 PolarHBondContact O-N 3.34Å; D440-G443 PolarHBondContact OD1-N 2.86Å; D440-N444 PolarHBondContact N-O 2.8Å; D440-N444 PolarHBondContact OD1-N 2.76Å; D440-N444 PolarHBondContact OD1-ND2 2.98Å; D440-N444 WeakPolarHBondContact OD2-CB 3.41Å; D440-N444 PolarHBondContact OD2-ND2 2.99Å; D440-Y446 HydrophobicContact CB-CE2 3.99Å; D440-Y446 WeakPolarHBondContact OD2-CE2 3.37Å; D440-Y446 PolarHBondContact OD2-OH 2.85Å; D440-V464 HydrophobicContact CB-CG1 4.13Å; D440-L466 HydrophobicContact CB-CD2 4.2Å | ||
| 441 | E | 94.9 | Very high | 96.5 | Very high | 124 Ų | 124 | 37.8 Ų | 37.8 | 58% | 0.579 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -16.8 | 177.8 | -66.1 | -57.4 | 130.7 | 0 | 0 | 114 | V465 R467 | E441-V465 HydrophobicContact CG-CB 4.31Å; E441-R467 IonicContact OE1-CZ 2.76Å; E441-R467 VanDerWaalsContact OE1-CZ 3.31Å; E441-R467 IonicContact OE1-NE 3.71Å; E441-R467 PolarHBondContact OE1-NE 3.02Å; E441-R467 IonicContact OE1-NH2 3.15Å; E441-R467 PolarHBondContact OE1-NH2 3.06Å; E441-R467 IonicContact OE2-CZ 3.61Å; E441-R467 IonicContact OE2-NH2 3.79Å; E441-R467 PolarHBondContact OE2-NH2 3.18Å |
| 442 | A | 92.5 | Very high | 96.5 | Very high | 81 Ų | 81 | 43.8 Ų | 43.8 | 67% | 0.669 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D440 | D440-A442 PolarHBondContact O-N 3.17Å; D440-A442 WeakPolarHBondContact OD1-CA 3.35Å; D440-A442 WeakPolarHBondContact OD1-CB 3.37Å; D440-A442 PolarHBondContact OD1-N 3.08Å |
| 443 | G | 89.9 | Confident | 96.5 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | trans | 83.7 | 9.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D440 | D440-G443 PolarHBondContact O-N 3.34Å; D440-G443 PolarHBondContact OD1-N 2.86Å | ||
| 444 | N | 93.8 | Very high | 96.5 | Very high | 84 Ų | 84 | 44 Ų | 44 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | trans | -67.1 | 142.8 | 172.7 | -57.4 | -59.2 | 0 | 0 | 0 | 109.7 | Y439 D440 Y446 | Y439-N444 WeakPolarHBondContact CA-O 3.49Å; D440-N444 PolarHBondContact N-O 2.8Å; D440-N444 PolarHBondContact OD1-N 2.76Å; D440-N444 PolarHBondContact OD1-ND2 2.98Å; D440-N444 WeakPolarHBondContact OD2-CB 3.41Å; D440-N444 PolarHBondContact OD2-ND2 2.99Å; N444-Y446 HydrophobicContact CB-CE1 4.5Å; N444-Y446 HydrophobicContact CB-CE2 3.89Å; N444-Y446 WeakPolarHBondContact CB-OH 3.5Å | ||
| 445 | V | 95.5 | Very high | 96.5 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128 | -175.3 | -165 | 0 | 0 | 0 | 0 | 109.9 | W382 A437 Y439 | W382-V445 HydrophobicContact CH2-CG1 3.93Å; W382-V445 HydrophobicContact CZ2-CG1 3.9Å; A437-V445 HydrophobicContact CB-CG1 4.22Å; Y439-V445 HydrophobicContact CD1-CB 4.36Å; Y439-V445 HydrophobicContact CD1-CG1 4.28Å; Y439-V445 HydrophobicContact CD1-CG2 3.82Å; Y439-V445 HydrophobicContact CE1-CB 4.09Å; Y439-V445 HydrophobicContact CE1-CG1 3.71Å; Y439-V445 HydrophobicContact CE1-CG2 3.48Å; Y439-V445 VanDerWaalsContact CE1-CG2 3.48Å |
| 446 | Y | 97.3 | Very high | 96.4 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.6 | 177.6 | -48.8 | -82.6 | 0 | 0 | 0 | 110.2 | A437 W438 D440 N444 V454 N458 L460 L466 | A437-Y446 CarbonylContact C-O 3.41Å; A437-Y446 VanDerWaalsContact CA-O 3.31Å; A437-Y446 WeakPolarHBondContact CA-O 3.42Å; W438-Y446 PolarHBondContact N-O 2.93Å; W438-Y446 PolarHBondContact O-N 3.13Å; D440-Y446 HydrophobicContact CB-CE2 3.99Å; D440-Y446 WeakPolarHBondContact OD2-CE2 3.37Å; D440-Y446 PolarHBondContact OD2-OH 2.85Å; N444-Y446 HydrophobicContact CB-CE1 4.5Å; N444-Y446 HydrophobicContact CB-CE2 3.89Å; N444-Y446 WeakPolarHBondContact CB-OH 3.5Å; Y446-V454 VanDerWaalsContact CB-CG1 3.41Å; Y446-V454 HydrophobicContact CG-CG1 4.09Å; Y446-N458 HydrophobicContact CD1-CB 3.93Å; Y446-N458 VanDerWaalsContact CD1-CG 3.46Å; Y446-N458 HydrophobicContact CE1-CB 4.11Å; Y446-L460 HydrophobicContact CD1-CD1 4.31Å; Y446-L460 HydrophobicContact CD2-CD1 4.17Å; Y446-L460 HydrophobicContact CE1-CD1 4.2Å; Y446-L460 HydrophobicContact CE1-CD2 4.45Å; Y446-L460 HydrophobicContact CE2-CD1 4.08Å; Y446-L460 HydrophobicContact CG-CD1 4.28Å; Y446-L466 HydrophobicContact CD2-CD2 4.1Å; Y446-L466 HydrophobicContact CE2-CD2 4.23Å |
| 447 | V | 98 | Very high | 96.3 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.9 | -177.7 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | F157 V158 Y161 W382 P436 A437 | F157-V447 HydrophobicContact CD1-CG1 3.82Å; F157-V447 HydrophobicContact CE1-CG1 3.71Å; F157-V447 HydrophobicContact CE1-CG2 4.14Å; V158-V447 HydrophobicContact CG2-CG1 4Å; Y161-V447 HydrophobicContact CD1-CB 3.51Å; Y161-V447 HydrophobicContact CD1-CG1 3.69Å; Y161-V447 HydrophobicContact CD1-CG2 3.82Å; Y161-V447 HydrophobicContact CD2-CB 4.48Å; Y161-V447 HydrophobicContact CD2-CG2 3.91Å; Y161-V447 HydrophobicContact CE1-CB 3.62Å; Y161-V447 HydrophobicContact CE1-CG1 4.33Å; Y161-V447 HydrophobicContact CE1-CG2 3.75Å; Y161-V447 HydrophobicContact CE2-CG2 3.82Å; Y161-V447 HydrophobicContact CG-CB 3.96Å; Y161-V447 HydrophobicContact CG-CG1 3.84Å; Y161-V447 HydrophobicContact CG-CG2 3.89Å; W382-V447 HydrophobicContact CH2-CG2 3.79Å; W382-V447 HydrophobicContact CZ3-CG2 4.37Å; P436-V447 WeakPolarHBondContact O-CA 3.21Å; A437-V447 HydrophobicContact CB-CG2 3.97Å |
| 448 | G | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -172.1 | 167.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | P436 W438 N450 | P436-G448 WeakPolarHBondContact CB-O 3.29Å; P436-G448 PolarHBondContact O-N 2.69Å; W438-G448 WeakPolarHBondContact CZ3-O 3.43Å; G448-N450 PolarHBondContact O-N 3.38Å | ||
| 449 | R | 97.1 | Very high | 96.1 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -72.4 | -22.3 | -175 | -59.4 | 161.2 | -177.2 | 81.2 | 1.1 | 112.8 | K154 E155 V158 E453 | K154-R449 HydrophobicContact CB-CB 4.42Å; K154-R449 HydrophobicContact CB-CG 4.44Å; K154-R449 WeakPolarHBondContact CD-O 3.41Å; E155-R449 IonicContact OE1-CZ 2.92Å; E155-R449 IonicContact OE1-NH2 2.83Å; E155-R449 PolarHBondContact OE1-NH2 3.48Å; E155-R449 IonicContact OE2-CZ 3.55Å; E155-R449 IonicContact OE2-NE 3.85Å; E155-R449 PolarHBondContact OE2-NE 2.9Å; E155-R449 IonicContact OE2-NH2 3.67Å; E155-R449 PolarHBondContact OE2-NH2 3.19Å; V158-R449 HydrophobicContact CG2-CG 4.04Å; R449-E453 WeakPolarHBondContact CB-OE2 3.48Å; R449-E453 VanDerWaalsContact CD-OE2 3.29Å; R449-E453 WeakPolarHBondContact CD-OE2 3.44Å; R449-E453 WeakPolarHBondContact CG-OE2 3.48Å; R449-E453 IonicContact CZ-OE1 3.1Å; R449-E453 PolarHBondContact N-OE2 3.42Å; R449-E453 VanDerWaalsContact NH1-CD 3.29Å; R449-E453 IonicContact NH1-OE1 3.98Å; R449-E453 PolarHBondContact NH1-OE1 3.3Å; R449-E453 IonicContact NH1-OE2 3.31Å; R449-E453 PolarHBondContact NH1-OE2 2.74Å |
| 450 | N | 97.3 | Very high | 96 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -156.5 | 170.8 | 176.1 | 56.4 | 57 | 0 | 0 | 0 | 109.6 | G448 D452 E453 V454 | G448-N450 PolarHBondContact O-N 3.38Å; N450-D452 VanDerWaalsContact C-N 3.32Å; N450-D452 PolarHBondContact O-N 3.33Å; N450-D452 PolarHBondContact OD1-N 2.71Å; N450-E453 PolarHBondContact O-N 3.16Å; N450-E453 PolarHBondContact OD1-N 3.37Å; N450-V454 PolarHBondContact O-N 2.94Å |
| 451 | E | 97 | Very high | 95.8 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -35.5 | -178.4 | -169.6 | 176.4 | 137.5 | 0 | 0 | 112.8 | W438 E453 V454 R455 L466 | W438-E451 HydrophobicContact CZ2-CB 4.24Å; E451-E453 PolarHBondContact O-N 2.84Å; E451-V454 WeakPolarHBondContact O-CB 3.16Å; E451-V454 PolarHBondContact O-N 3.34Å; E451-R455 HydrophobicContact CG-CG 4.35Å; E451-R455 WeakPolarHBondContact O-CG 3.06Å; E451-R455 PolarHBondContact O-N 3.28Å; E451-R455 IonicContact OE1-CZ 2.89Å; E451-R455 IonicContact OE1-NE 3.05Å; E451-R455 PolarHBondContact OE1-NE 3.23Å; E451-R455 IonicContact OE1-NH2 2.79Å; E451-R455 PolarHBondContact OE1-NH2 3.09Å; E451-L466 HydrophobicContact CG-CD1 3.97Å |
| 452 | D | 97 | Very high | 95.7 | Very high | 127 Ų | 127 | 65.4 Ų | 65.4 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 178.8 | -70.4 | -21.4 | 0 | 0 | 0 | 111.8 | N450 R455 K456 | N450-D452 VanDerWaalsContact C-N 3.32Å; N450-D452 PolarHBondContact O-N 3.33Å; N450-D452 PolarHBondContact OD1-N 2.71Å; D452-R455 PolarHBondContact O-N 3.35Å; D452-K456 VanDerWaalsContact O-CB 3.31Å; D452-K456 WeakPolarHBondContact O-CB 3.31Å; D452-K456 PolarHBondContact O-N 3.14Å |
| 453 | E | 97.2 | Very high | 95.8 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 172.2 | -177.3 | -176.3 | 159.5 | 0 | 0 | 110.4 | K162 R449 N450 E451 R455 K456 E457 | K162-E453 IonicContact NZ-OE1 3.13Å; R449-E453 WeakPolarHBondContact CB-OE2 3.48Å; R449-E453 VanDerWaalsContact CD-OE2 3.29Å; R449-E453 WeakPolarHBondContact CD-OE2 3.44Å; R449-E453 WeakPolarHBondContact CG-OE2 3.48Å; R449-E453 IonicContact CZ-OE1 3.1Å; R449-E453 PolarHBondContact N-OE2 3.42Å; R449-E453 VanDerWaalsContact NH1-CD 3.29Å; R449-E453 IonicContact NH1-OE1 3.98Å; R449-E453 PolarHBondContact NH1-OE1 3.3Å; R449-E453 IonicContact NH1-OE2 3.31Å; R449-E453 PolarHBondContact NH1-OE2 2.74Å; N450-E453 PolarHBondContact O-N 3.16Å; N450-E453 PolarHBondContact OD1-N 3.37Å; E451-E453 PolarHBondContact O-N 2.84Å; E453-R455 VanDerWaalsContact C-N 3.35Å; E453-R455 PolarHBondContact O-N 3.43Å; E453-K456 PolarHBondContact O-N 2.84Å; E453-E457 HydrophobicContact CG-CG 4.17Å; E453-E457 WeakPolarHBondContact O-CB 3.33Å; E453-E457 WeakPolarHBondContact O-CG 3.44Å; E453-E457 PolarHBondContact O-N 3.45Å |
| 454 | V | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 178.6 | 161.2 | 0 | 0 | 0 | 0 | 111.4 | W438 Y446 N450 E451 K456 N458 L460 L466 | W438-V454 HydrophobicContact CD2-CG2 4.25Å; W438-V454 HydrophobicContact CE3-CG2 3.59Å; W438-V454 HydrophobicContact CZ3-CG2 3.97Å; Y446-V454 VanDerWaalsContact CB-CG1 3.41Å; Y446-V454 HydrophobicContact CG-CG1 4.09Å; N450-V454 PolarHBondContact O-N 2.94Å; E451-V454 WeakPolarHBondContact O-CB 3.16Å; E451-V454 PolarHBondContact O-N 3.34Å; V454-K456 VanDerWaalsContact C-N 3.35Å; V454-K456 PolarHBondContact O-N 2.92Å; V454-N458 WeakPolarHBondContact O-CB 3.41Å; V454-N458 PolarHBondContact O-N 3.31Å; V454-N458 PolarHBondContact O-ND2 2.87Å; V454-L460 HydrophobicContact CG1-CD1 4.21Å; V454-L466 HydrophobicContact CG1-CD1 3.92Å |
| 455 | R | 97.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 179.7 | -72 | 178.8 | 179.8 | -72.6 | -2.3 | 111.4 | E451 D452 E453 N459 L460 G461 V464 L466 | E451-R455 HydrophobicContact CG-CG 4.35Å; E451-R455 WeakPolarHBondContact O-CG 3.06Å; E451-R455 PolarHBondContact O-N 3.28Å; E451-R455 IonicContact OE1-CZ 2.89Å; E451-R455 IonicContact OE1-NE 3.05Å; E451-R455 PolarHBondContact OE1-NE 3.23Å; E451-R455 IonicContact OE1-NH2 2.79Å; E451-R455 PolarHBondContact OE1-NH2 3.09Å; D452-R455 PolarHBondContact O-N 3.35Å; E453-R455 VanDerWaalsContact C-N 3.35Å; E453-R455 PolarHBondContact O-N 3.43Å; R455-N459 WeakPolarHBondContact O-CA 3.4Å; R455-N459 PolarHBondContact O-N 3.24Å; R455-L460 HydrophobicContact CB-CB 4.49Å; R455-L460 HydrophobicContact CG-CB 4.4Å; R455-L460 PolarHBondContact O-N 2.8Å; R455-G461 PolarHBondContact NH1-O 3.23Å; R455-V464 PolarHBondContact NH1-O 2.63Å; R455-V464 PolarHBondContact NH2-O 2.77Å; R455-V464 VanDerWaalsContact NH2-O 3.1Å; R455-L466 HydrophobicContact CG-CD1 3.82Å |
| 456 | K | 96.5 | Very high | 96.2 | Very high | 175 Ų | 175 | 66.3 Ų | 66.3 | 76% | 0.761 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -68.7 | -47.2 | -179.3 | -176 | -178.7 | 176.1 | -175.2 | 0 | 112.9 | D452 E453 V454 N458 | D452-K456 VanDerWaalsContact O-CB 3.31Å; D452-K456 WeakPolarHBondContact O-CB 3.31Å; D452-K456 PolarHBondContact O-N 3.14Å; E453-K456 PolarHBondContact O-N 2.84Å; V454-K456 VanDerWaalsContact C-N 3.35Å; V454-K456 PolarHBondContact O-N 2.92Å; K456-N458 VanDerWaalsContact C-N 3.27Å; K456-N458 PolarHBondContact O-N 2.86Å |
| 457 | E | 95.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 71.2 Ų | 71.2 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.7 | -28.1 | -177.7 | -70.3 | -166.2 | 166.8 | 0 | 0 | 112.3 | K162 E453 | K162-E457 VanDerWaalsContact NZ-CD 3.29Å; K162-E457 IonicContact NZ-OE1 3.39Å; K162-E457 PolarHBondContact NZ-OE1 3.16Å; K162-E457 IonicContact NZ-OE2 2.77Å; K162-E457 PolarHBondContact NZ-OE2 3.18Å; E453-E457 HydrophobicContact CG-CG 4.17Å; E453-E457 WeakPolarHBondContact O-CB 3.33Å; E453-E457 WeakPolarHBondContact O-CG 3.44Å; E453-E457 PolarHBondContact O-N 3.45Å |
| 458 | N | 96.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 73.3 Ų | 73.3 | 35% | 0.353 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 6.6 | -176.6 | -61.3 | -81.4 | 0 | 0 | 0 | 114.1 | Y446 V454 K456 L460 | Y446-N458 HydrophobicContact CD1-CB 3.93Å; Y446-N458 VanDerWaalsContact CD1-CG 3.46Å; Y446-N458 HydrophobicContact CE1-CB 4.11Å; V454-N458 WeakPolarHBondContact O-CB 3.41Å; V454-N458 PolarHBondContact O-N 3.31Å; V454-N458 PolarHBondContact O-ND2 2.87Å; K456-N458 VanDerWaalsContact C-N 3.27Å; K456-N458 PolarHBondContact O-N 2.86Å; N458-L460 VanDerWaalsContact C-N 3.29Å; N458-L460 HydrophobicContact CB-CD1 4.01Å; N458-L460 HydrophobicContact CB-CD2 4.38Å; N458-L460 HydrophobicContact CB-CG 3.82Å; N458-L460 PolarHBondContact O-N 2.75Å |
| 459 | N | 95.7 | Very high | 96.1 | Very high | 151 Ų | 151 | 73.7 Ų | 73.7 | 81% | 0.807 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.1 | -177.3 | -59.2 | -64.7 | 0 | 0 | 0 | 113.8 | R455 | R455-N459 WeakPolarHBondContact O-CA 3.4Å; R455-N459 PolarHBondContact O-N 3.24Å |
| 460 | L | 94.6 | Very high | 96 | Very high | 32 Ų | 32 | 75 Ų | 75 | 17% | 0.168 | 39% | 0.393 | C | S | . | . | trans | -88.8 | 126.7 | -178.8 | -56.4 | 173.3 | 0 | 0 | 0 | 110.8 | Y446 V454 R455 N458 V464 L466 | Y446-L460 HydrophobicContact CD1-CD1 4.31Å; Y446-L460 HydrophobicContact CD2-CD1 4.17Å; Y446-L460 HydrophobicContact CE1-CD1 4.2Å; Y446-L460 HydrophobicContact CE1-CD2 4.45Å; Y446-L460 HydrophobicContact CE2-CD1 4.08Å; Y446-L460 HydrophobicContact CG-CD1 4.28Å; V454-L460 HydrophobicContact CG1-CD1 4.21Å; R455-L460 HydrophobicContact CB-CB 4.49Å; R455-L460 HydrophobicContact CG-CB 4.4Å; R455-L460 PolarHBondContact O-N 2.8Å; N458-L460 VanDerWaalsContact C-N 3.29Å; N458-L460 HydrophobicContact CB-CD1 4.01Å; N458-L460 HydrophobicContact CB-CD2 4.38Å; N458-L460 HydrophobicContact CB-CG 3.82Å; N458-L460 PolarHBondContact O-N 2.75Å; L460-V464 HydrophobicContact CB-CB 4.48Å; L460-V464 HydrophobicContact CB-CG2 4.47Å; L460-L466 HydrophobicContact CD1-CD1 4.08Å; L460-L466 HydrophobicContact CD1-CD2 4.14Å | ||
| 461 | G | 93.4 | Very high | 96 | Very high | 31 Ų | 31 | 72.5 Ų | 72.5 | 32% | 0.32 | 38% | 0.38 | S | S | . | . | trans | -69.1 | 162.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R455 D463 V464 | R455-G461 PolarHBondContact NH1-O 3.23Å; G461-D463 VanDerWaalsContact C-OD1 3.3Å; G461-D463 WeakPolarHBondContact CA-OD1 3.31Å; G461-D463 PolarHBondContact O-N 3.05Å; G461-V464 PolarHBondContact O-N 3.36Å; G461-V464 VanDerWaalsContact O-N 3.13Å | ||
| 462 | A | 92.2 | Very high | 96 | Very high | 100 Ų | 100 | 69.3 Ų | 69.3 | 83% | 0.826 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V464 | A462-V464 VanDerWaalsContact C-N 3.33Š|
| 463 | D | 93.9 | Very high | 96 | Very high | 138 Ų | 138 | 63.4 Ų | 63.4 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -20.3 | 174.3 | 58.9 | -54.2 | 0 | 0 | 0 | 113.3 | G461 V465 | G461-D463 VanDerWaalsContact C-OD1 3.3Å; G461-D463 WeakPolarHBondContact CA-OD1 3.31Å; G461-D463 PolarHBondContact O-N 3.05Å; D463-V465 PolarHBondContact O-N 3.29Å |
| 464 | V | 95.2 | Very high | 95.9 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -75 | 112.6 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | D440 R455 L460 G461 A462 L466 | D440-V464 HydrophobicContact CB-CG1 4.13Å; R455-V464 PolarHBondContact NH1-O 2.63Å; R455-V464 PolarHBondContact NH2-O 2.77Å; R455-V464 VanDerWaalsContact NH2-O 3.1Å; L460-V464 HydrophobicContact CB-CB 4.48Å; L460-V464 HydrophobicContact CB-CG2 4.47Å; G461-V464 PolarHBondContact O-N 3.36Å; G461-V464 VanDerWaalsContact O-N 3.13Å; A462-V464 VanDerWaalsContact C-N 3.33Å; V464-L466 HydrophobicContact CG1-CD2 4.16Å; V464-L466 PolarHBondContact O-N 2.86Å |
| 465 | V | 95.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 63.1 Ų | 63.1 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | trans | -69.3 | 123.1 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | E441 D463 | E441-V465 HydrophobicContact CG-CB 4.31Å; D463-V465 PolarHBondContact O-N 3.29Å | ||
| 466 | L | 97.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | trans | -115.4 | 137.4 | 175 | -67.5 | -179.8 | 0 | 0 | 0 | 109.4 | W438 Y439 D440 Y446 E451 V454 R455 L460 V464 | W438-L466 HydrophobicContact CB-CB 4.32Å; W438-L466 HydrophobicContact CB-CD2 4.46Å; W438-L466 HydrophobicContact CG-CB 4.49Å; Y439-L466 WeakPolarHBondContact O-CA 3.36Å; D440-L466 HydrophobicContact CB-CD2 4.2Å; Y446-L466 HydrophobicContact CD2-CD2 4.1Å; Y446-L466 HydrophobicContact CE2-CD2 4.23Å; E451-L466 HydrophobicContact CG-CD1 3.97Å; V454-L466 HydrophobicContact CG1-CD1 3.92Å; R455-L466 HydrophobicContact CG-CD1 3.82Å; L460-L466 HydrophobicContact CD1-CD1 4.08Å; L460-L466 HydrophobicContact CD1-CD2 4.14Å; V464-L466 HydrophobicContact CG1-CD2 4.16Å; V464-L466 PolarHBondContact O-N 2.86Å | ||
| 467 | R | 96.4 | Very high | 95.7 | Very high | 136 Ų | 136 | 54.7 Ų | 54.7 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117.7 | 175.1 | -69.8 | -178.2 | -89.9 | 151.3 | -6.3 | 108.6 | W438 Y439 E441 | W438-R467 CarbonylContact C-O 3.58Å; W438-R467 WeakPolarHBondContact CA-O 3.38Å; Y439-R467 PolarHBondContact N-O 3.05Å; Y439-R467 PolarHBondContact O-N 3.02Å; E441-R467 IonicContact OE1-CZ 2.76Å; E441-R467 VanDerWaalsContact OE1-CZ 3.31Å; E441-R467 IonicContact OE1-NE 3.71Å; E441-R467 PolarHBondContact OE1-NE 3.02Å; E441-R467 IonicContact OE1-NH2 3.15Å; E441-R467 PolarHBondContact OE1-NH2 3.06Å; E441-R467 IonicContact OE2-CZ 3.61Å; E441-R467 IonicContact OE2-NH2 3.79Å; E441-R467 PolarHBondContact OE2-NH2 3.18Å |
| 468 | Q | 97.5 | Very high | 95.8 | Very high | 52 Ų | 52 | 50 Ų | 50 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 146.7 | 173.7 | -169.2 | -178.2 | 8.4 | 0 | 0 | 109.6 | R434 I435 A437 W438 E470 | R434-Q468 PolarHBondContact NH2-O 2.99Å; I435-Q468 PolarHBondContact O-NE2 3.41Å; A437-Q468 CarbonylContact O-C 3.55Å; A437-Q468 WeakPolarHBondContact O-CA 3.23Å; A437-Q468 WeakPolarHBondContact O-CG 3.24Å; W438-Q468 HydrophobicContact CD2-CB 4.42Å; W438-Q468 HydrophobicContact CD2-CG 4.32Å; W438-Q468 HydrophobicContact CG-CB 4.39Å; W438-Q468 HydrophobicContact CZ2-CB 4.49Å; W438-Q468 HydrophobicContact CZ2-CG 4.08Å; Q468-E470 PolarHBondContact O-N 3.18Å |
| 469 | D | 97.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | trans | -52.3 | 128.1 | 171.5 | -158.9 | -38.7 | 0 | 0 | 0 | 110.8 | W382 R434 I435 A437 Y439 D471 | W382-D469 PolarHBondContact NE1-OD2 3.39Å; R434-D469 PolarHBondContact NE-O 3.15Å; R434-D469 VanDerWaalsContact NH2-C 3.33Å; R434-D469 PolarHBondContact NH2-O 3.03Å; I435-D469 HydrophobicContact CB-CB 3.96Å; I435-D469 HydrophobicContact CG2-CB 4.33Å; A437-D469 HydrophobicContact CB-CB 4.4Å; A437-D469 PolarHBondContact O-N 3.34Å; Y439-D469 HydrophobicContact CE2-CB 3.65Å; Y439-D469 WeakPolarHBondContact CE2-OD2 3.3Å; Y439-D469 PolarHBondContact OH-OD2 2.98Å; D469-D471 VanDerWaalsContact C-N 3.28Å; D469-D471 WeakPolarHBondContact OD1-CB 3.49Å; D469-D471 PolarHBondContact OD1-N 2.8Å | ||
| 470 | E | 95.2 | Very high | 95.9 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -78.2 | -17.9 | -178.8 | -70.3 | -62.6 | 133.7 | 0 | 0 | 111.6 | R107 R434 Q468 | R107-E470 VanDerWaalsContact CZ-O 3.29Å; R107-E470 IonicContact CZ-OE2 3.91Å; R107-E470 PolarHBondContact NH1-O 3.04Å; R107-E470 IonicContact NH1-OE2 3.93Å; R107-E470 PolarHBondContact NH1-OE2 2.97Å; R107-E470 PolarHBondContact NH2-O 2.83Å; R434-E470 IonicContact CZ-OE1 3.17Å; R434-E470 IonicContact NH1-OE1 2.69Å; R434-E470 IonicContact NH2-OE1 3.18Å; R434-E470 PolarHBondContact NH2-OE1 2.83Å; R434-E470 IonicContact NH2-OE2 2.72Å; Q468-E470 PolarHBondContact O-N 3.18Å |
| 471 | D | 96.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | trans | -72.9 | 157.3 | 176.4 | -67.5 | -18.1 | 0 | 0 | 0 | 111.1 | R427 Q428 I435 D469 | R427-D471 WeakPolarHBondContact O-CA 3.3Å; R427-D471 WeakPolarHBondContact O-CB 3.48Å; Q428-D471 WeakPolarHBondContact CG-OD1 3.15Å; Q428-D471 VanDerWaalsContact NE2-CG 3.32Å; Q428-D471 PolarHBondContact NE2-OD1 3.4Å; Q428-D471 PolarHBondContact NE2-OD2 3.09Å; I435-D471 HydrophobicContact CD1-CB 3.8Å; I435-D471 PolarHBondContact N-O 2.77Å; I435-D471 VanDerWaalsContact N-O 3.12Å; D469-D471 VanDerWaalsContact C-N 3.28Å; D469-D471 WeakPolarHBondContact OD1-CB 3.49Å; D469-D471 PolarHBondContact OD1-N 2.8Å | ||
| 472 | V | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 157.9 | 173.1 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | S426 R427 L429 H433 R434 | S426-V472 CarbonylContact C-O 3.5Å; S426-V472 WeakPolarHBondContact CA-O 3.48Å; R427-V472 HydrophobicContact CB-CG2 4.15Å; R427-V472 PolarHBondContact N-O 2.93Å; R427-V472 PolarHBondContact O-N 3.33Å; L429-V472 HydrophobicContact CB-CG2 3.71Å; L429-V472 HydrophobicContact CD1-CG2 4.26Å; L429-V472 HydrophobicContact CG-CG2 4.45Å; H433-V472 CarbonylContact O-C 3.47Å; H433-V472 WeakPolarHBondContact O-CA 3.21Å; H433-V472 WeakPolarHBondContact O-CB 3.38Å; R434-V472 HydrophobicContact CG-CG1 4.42Å |
| 473 | L | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 147.1 | 175 | -65.8 | 166 | 0 | 0 | 0 | 110.9 | V153 F157 I425 H433 I435 T475 F477 | V153-L473 HydrophobicContact CG1-CD1 3.48Å; V153-L473 VanDerWaalsContact CG1-CD1 3.48Å; F157-L473 HydrophobicContact CD2-CD1 4.33Å; F157-L473 HydrophobicContact CD2-CD2 3.73Å; F157-L473 HydrophobicContact CE2-CD2 3.81Å; I425-L473 HydrophobicContact CB-CD2 4.44Å; I425-L473 HydrophobicContact CD1-CD2 3.97Å; I425-L473 HydrophobicContact CG1-CD2 4.48Å; I425-L473 CarbonylContact O-C 3.55Å; I425-L473 WeakPolarHBondContact O-CA 3.48Å; H433-L473 HydrophobicContact CB-CB 4.24Å; H433-L473 HydrophobicContact CB-CD1 3.97Å; H433-L473 HydrophobicContact CB-CG 4.42Å; H433-L473 PolarHBondContact O-N 2.84Å; I435-L473 HydrophobicContact CD1-CD2 4.47Å; I435-L473 HydrophobicContact CG1-CD2 3.83Å; I435-L473 HydrophobicContact CG1-CG 3.97Å; L473-T475 PolarHBondContact O-N 3.35Å; L473-F477 HydrophobicContact CB-CB 4.23Å; L473-F477 HydrophobicContact CB-CD1 4.39Å; L473-F477 HydrophobicContact CB-CG 4.49Å; L473-F477 HydrophobicContact CD1-CD1 3.69Å; L473-F477 HydrophobicContact CD1-CE1 3.87Å; L473-F477 HydrophobicContact CD1-CG 4.48Å; L473-F477 HydrophobicContact CD2-CD1 4.36Å; L473-F477 HydrophobicContact CD2-CG 4.47Å; L473-F477 HydrophobicContact CG-CD1 4.38Å |
| 474 | D | 94.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | trans | -49.7 | 135.1 | 167.2 | -177.3 | 19.1 | 0 | 0 | 0 | 109 | W423 I425 R427 W476 F477 R518 | W423-D474 HydrophobicContact CZ2-CB 4.48Å; W423-D474 PolarHBondContact NE1-OD2 3.23Å; I425-D474 PolarHBondContact O-N 3.29Å; R427-D474 IonicContact CZ-OD1 3.6Å; R427-D474 IonicContact NE-OD1 2.62Å; R427-D474 IonicContact NH2-OD1 3.78Å; R427-D474 PolarHBondContact NH2-OD1 3.4Å; R427-D474 IonicContact NH2-OD2 3.25Å; R427-D474 PolarHBondContact NH2-OD2 3.31Å; R427-D474 VanDerWaalsContact NH2-OD2 3.17Å; D474-W476 PolarHBondContact O-N 2.64Å; D474-W476 VanDerWaalsContact O-N 3.14Å; D474-F477 WeakPolarHBondContact O-CA 3.34Å; D474-F477 WeakPolarHBondContact O-CB 3.43Å; D474-F477 PolarHBondContact O-N 3.32Å; D474-R518 IonicContact OD2-NH1 2.74Å; D474-R518 PolarHBondContact OD2-NH1 3.45Å | ||
| 475 | T | 94.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 23.6 Ų | 23.6 | 10% | 0.104 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.3 | -40.1 | -175.2 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | D80 H81 L473 F477 S478 S479 | D80-T475 PolarHBondContact OD1-OG1 3.16Å; H81-T475 PolarHBondContact CE1-OG1 3.41Å; H81-T475 PolarHBondContact NE2-OG1 2.92Å; L473-T475 PolarHBondContact O-N 3.35Å; T475-F477 PolarHBondContact O-N 3.35Å; T475-S478 PolarHBondContact O-N 3.14Å; T475-S478 PolarHBondContact O-OG 3.35Å; T475-S479 PolarHBondContact O-N 3.07Å; T475-S479 VanDerWaalsContact O-N 3.13Å; T475-S479 PolarHBondContact O-OG 3.02Å |
| 476 | W | 95.3 | Very high | 96.9 | Very high | 44 Ų | 44 | 19.9 Ų | 19.9 | 17% | 0.167 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.1 | -21.2 | 176.6 | -58.5 | 110.2 | 0 | 0 | 0 | 114.3 | W423 D474 A480 I511 F514 W515 | W423-W476 HydrophobicContact CH2-CB 4.39Å; W423-W476 HydrophobicContact CZ2-CB 3.78Å; D474-W476 PolarHBondContact O-N 2.64Å; D474-W476 VanDerWaalsContact O-N 3.14Å; W476-A480 WeakPolarHBondContact O-CB 3.27Å; W476-A480 PolarHBondContact O-N 3.14Å; W476-I511 HydrophobicContact CH2-CG2 4.39Å; W476-F514 HydrophobicContact CD2-CB 3.93Å; W476-F514 HydrophobicContact CE3-CB 4.11Å; W476-F514 HydrophobicContact CH2-CB 3.81Å; W476-F514 HydrophobicContact CZ2-CB 3.6Å; W476-F514 HydrophobicContact CZ2-CD1 4.25Å; W476-F514 AromaticContact CZ2-CG 3.95Å; W476-F514 HydrophobicContact CZ2-CG 3.95Å; W476-F514 HydrophobicContact CZ3-CB 4.08Å; W476-F514 AromaticContact NE1-CD1 3.8Å; W476-W515 HydrophobicContact CE3-CB 3.88Å; W476-W515 HydrophobicContact CE3-CG 4.11Å; W476-W515 HydrophobicContact CH2-CB 4.49Å; W476-W515 HydrophobicContact CZ3-CB 3.55Å; W476-W515 AromaticContact CZ3-CG 3.82Å; W476-W515 HydrophobicContact CZ3-CG 3.82Å |
| 477 | F | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 174.8 | -169.4 | -92.1 | 0 | 0 | 0 | 110.8 | V153 V156 F157 L160 I166 V384 W423 I425 L473 D474 T475 L481 M522 | V153-F477 HydrophobicContact CG1-CD1 4.07Å; V153-F477 HydrophobicContact CG1-CE1 4.12Å; V156-F477 HydrophobicContact CG1-CE1 3.91Å; V156-F477 HydrophobicContact CG1-CE2 4.44Å; V156-F477 HydrophobicContact CG1-CZ 3.64Å; F157-F477 HydrophobicContact CB-CE1 4.27Å; F157-F477 HydrophobicContact CB-CZ 4.19Å; F157-F477 HydrophobicContact CD2-CZ 4.17Å; L160-F477 HydrophobicContact CD1-CE2 4.47Å; I166-F477 HydrophobicContact CD1-CE2 4.09Å; I166-F477 HydrophobicContact CD1-CZ 4.01Å; V384-F477 HydrophobicContact CG2-CD2 4.46Å; V384-F477 HydrophobicContact CG2-CE2 3.95Å; W423-F477 VanDerWaalsContact CH2-CA 3.48Å; W423-F477 HydrophobicContact CH2-CB 4.11Å; W423-F477 HydrophobicContact CH2-CD2 4.12Å; W423-F477 HydrophobicContact CZ2-CB 4.12Å; W423-F477 HydrophobicContact CZ3-CD2 4.33Å; I425-F477 HydrophobicContact CB-CD2 4.13Å; I425-F477 HydrophobicContact CD1-CD2 4.2Å; I425-F477 HydrophobicContact CD1-CE2 3.89Å; I425-F477 HydrophobicContact CG2-CD2 3.65Å; I425-F477 HydrophobicContact CG2-CE2 4.25Å; L473-F477 HydrophobicContact CB-CB 4.23Å; L473-F477 HydrophobicContact CB-CD1 4.39Å; L473-F477 HydrophobicContact CB-CG 4.49Å; L473-F477 HydrophobicContact CD1-CD1 3.69Å; L473-F477 HydrophobicContact CD1-CE1 3.87Å; L473-F477 HydrophobicContact CD1-CG 4.48Å; L473-F477 HydrophobicContact CD2-CD1 4.36Å; L473-F477 HydrophobicContact CD2-CG 4.47Å; L473-F477 HydrophobicContact CG-CD1 4.38Å; D474-F477 WeakPolarHBondContact O-CA 3.34Å; D474-F477 WeakPolarHBondContact O-CB 3.43Å; D474-F477 PolarHBondContact O-N 3.32Å; T475-F477 PolarHBondContact O-N 3.35Å; F477-L481 WeakPolarHBondContact O-CG 3.37Å; F477-M522 HydrophobicContact CD2-CE 4.14Å; F477-M522 HydrophobicContact CE2-CE 3.88Å |
| 478 | S | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -72 | -41.4 | 174.6 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | H81 H433 T475 A480 L481 | H81-S478 PolarHBondContact CE1-OG 3.33Å; H81-S478 VanDerWaalsContact CE1-OG 3.26Å; H433-S478 VanDerWaalsContact CD2-CB 3.49Å; H433-S478 WeakPolarHBondContact CD2-CB 3.16Å; H433-S478 WeakPolarHBondContact NE2-CB 3.31Å; T475-S478 PolarHBondContact O-N 3.14Å; T475-S478 PolarHBondContact O-OG 3.35Å; S478-A480 VanDerWaalsContact C-N 3.27Å; S478-A480 PolarHBondContact O-N 3.22Å; S478-L481 WeakPolarHBondContact O-CB 3.22Å; S478-L481 PolarHBondContact O-N 3.15Å |
| 479 | S | 96.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -71.7 | -22.6 | -177.6 | -37.3 | 0 | 0 | 0 | 0 | 112 | D80 T475 L481 W482 W515 | D80-S479 PolarHBondContact OD2-OG 3.34Å; T475-S479 PolarHBondContact O-N 3.07Å; T475-S479 VanDerWaalsContact O-N 3.13Å; T475-S479 PolarHBondContact O-OG 3.02Å; S479-L481 PolarHBondContact O-N 2.76Å; S479-W482 WeakPolarHBondContact O-CB 3.3Å; S479-W482 PolarHBondContact O-N 3.09Å; S479-W515 PolarHBondContact O-NE1 3.33Å |
| 480 | A | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | W423 W476 S478 W482 R518 M519 M522 | W423-A480 HydrophobicContact CH2-CB 4.37Å; W476-A480 WeakPolarHBondContact O-CB 3.27Å; W476-A480 PolarHBondContact O-N 3.14Å; S478-A480 VanDerWaalsContact C-N 3.27Å; S478-A480 PolarHBondContact O-N 3.22Å; A480-W482 VanDerWaalsContact C-N 3.33Å; A480-R518 HydrophobicContact CB-CB 3.79Å; A480-M519 WeakPolarHBondContact O-CA 3.25Å; A480-M519 WeakPolarHBondContact O-CG 3.38Å; A480-M522 HydrophobicContact CB-CB 4.45Å; A480-M522 HydrophobicContact CB-CG 3.95Å |
| 481 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5 | 178.4 | -44.2 | -175.1 | 0 | 0 | 0 | 112.6 | A152 V153 V156 F477 S478 S479 T483 F484 S485 M522 | A152-L481 HydrophobicContact CB-CD1 4.46Å; V153-L481 HydrophobicContact CB-CD1 4.45Å; V153-L481 HydrophobicContact CG2-CD1 3.81Å; V156-L481 HydrophobicContact CB-CD1 4.12Å; V156-L481 HydrophobicContact CB-CD2 4.49Å; V156-L481 HydrophobicContact CG1-CD1 4.5Å; V156-L481 HydrophobicContact CG1-CD2 4.2Å; V156-L481 HydrophobicContact CG2-CD1 3.72Å; V156-L481 HydrophobicContact CG2-CD2 3.88Å; V156-L481 HydrophobicContact CG2-CG 4.46Å; F477-L481 WeakPolarHBondContact O-CG 3.37Å; S478-L481 WeakPolarHBondContact O-CB 3.22Å; S478-L481 PolarHBondContact O-N 3.15Å; S479-L481 PolarHBondContact O-N 2.76Å; L481-T483 VanDerWaalsContact C-N 3.29Å; L481-T483 PolarHBondContact O-N 2.92Å; L481-T483 VanDerWaalsContact O-N 3.12Å; L481-F484 HydrophobicContact CB-CE1 4.14Å; L481-F484 HydrophobicContact CB-CE2 4.41Å; L481-F484 HydrophobicContact CB-CZ 3.94Å; L481-F484 HydrophobicContact CD2-CE1 4.22Å; L481-F484 HydrophobicContact CD2-CZ 3.66Å; L481-F484 HydrophobicContact CG-CZ 4.34Å; L481-F484 WeakPolarHBondContact O-CD1 3.41Å; L481-F484 PolarHBondContact O-N 3.1Å; L481-F484 VanDerWaalsContact O-N 3.1Å; L481-S485 WeakPolarHBondContact O-CB 3.5Å; L481-S485 PolarHBondContact O-N 2.77Å; L481-S485 PolarHBondContact O-OG 2.67Å; L481-M522 HydrophobicContact CD2-CB 3.98Å; L481-M522 HydrophobicContact CD2-CG 4.15Å |
| 482 | W | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -51.3 | -43.9 | -165.4 | -168.8 | -119.7 | 0 | 0 | 0 | 113.4 | M38 I39 P41 R142 T144 L149 S479 A480 F484 T486 W515 | M38-W482 HydrophobicContact CE-CD2 4.5Å; M38-W482 HydrophobicContact CE-CG 4.04Å; M38-W482 WeakPolarHBondContact CE-O 3.17Å; I39-W482 PolarHBondContact O-NE1 3.31Å; P41-W482 HydrophobicContact CB-CH2 4.09Å; P41-W482 HydrophobicContact CB-CZ2 3.77Å; P41-W482 HydrophobicContact CG-CD2 4.17Å; P41-W482 HydrophobicContact CG-CZ2 4.28Å; R142-W482 HydrophobicContact CB-CH2 3.72Å; R142-W482 HydrophobicContact CB-CZ3 4.09Å; T144-W482 HydrophobicContact CG2-CE3 3.82Å; T144-W482 HydrophobicContact CG2-CZ3 3.66Å; L149-W482 HydrophobicContact CD1-CE3 3.77Å; L149-W482 HydrophobicContact CD1-CZ3 3.73Å; S479-W482 WeakPolarHBondContact O-CB 3.3Å; S479-W482 PolarHBondContact O-N 3.09Å; A480-W482 VanDerWaalsContact C-N 3.33Å; W482-F484 PolarHBondContact O-N 3.27Å; W482-F484 VanDerWaalsContact O-N 3.12Å; W482-T486 HydrophobicContact CD2-CG2 3.57Å; W482-T486 HydrophobicContact CE3-CG2 3.39Å; W482-T486 HydrophobicContact CG-CG2 4.3Å; W482-T486 HydrophobicContact CH2-CG2 3.84Å; W482-T486 HydrophobicContact CZ2-CG2 4Å; W482-T486 HydrophobicContact CZ3-CG2 3.54Å; W482-T486 VanDerWaalsContact O-CG2 3.26Å; W482-T486 WeakPolarHBondContact O-CG2 3.48Å; W482-T486 PolarHBondContact O-OG1 2.64Å; W482-W515 HydrophobicContact CB-CZ2 4.34Å; W482-W515 AromaticContact CD1-CZ2 3.87Å; W482-W515 HydrophobicContact CG-CZ2 4.3Å |
| 483 | T | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.9 | -16.8 | -175 | 53.9 | 0 | 0 | 0 | 0 | 115.1 | M38 L481 L487 M505 M519 T523 P537 F538 | M38-T483 HydrophobicContact CG-CG2 4.06Å; L481-T483 VanDerWaalsContact C-N 3.29Å; L481-T483 PolarHBondContact O-N 2.92Å; L481-T483 VanDerWaalsContact O-N 3.12Å; T483-L487 WeakPolarHBondContact O-CD1 3.26Å; T483-M505 HydrophobicContact CG2-CE 3.78Å; T483-M519 HydrophobicContact CG2-SD 3.73Å; T483-T523 PolarHBondContact OG1-OG1 3.18Å; T483-P537 HydrophobicContact CG2-CB 4.02Å; T483-F538 HydrophobicContact CG2-CD1 4.08Å; T483-F538 HydrophobicContact CG2-CE1 4.27Å |
| 484 | F | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -131.8 | -29.8 | -176.5 | 62.1 | -84.2 | 0 | 0 | 0 | 114.1 | L481 W482 L487 G488 W489 L496 T523 F526 I527 | L481-F484 HydrophobicContact CB-CE1 4.14Å; L481-F484 HydrophobicContact CB-CE2 4.41Å; L481-F484 HydrophobicContact CB-CZ 3.94Å; L481-F484 HydrophobicContact CD2-CE1 4.22Å; L481-F484 HydrophobicContact CD2-CZ 3.66Å; L481-F484 HydrophobicContact CG-CZ 4.34Å; L481-F484 WeakPolarHBondContact O-CD1 3.41Å; L481-F484 PolarHBondContact O-N 3.1Å; L481-F484 VanDerWaalsContact O-N 3.1Å; W482-F484 PolarHBondContact O-N 3.27Å; W482-F484 VanDerWaalsContact O-N 3.12Å; F484-L487 PolarHBondContact O-N 2.99Å; F484-G488 PolarHBondContact O-N 3.37Å; F484-W489 HydrophobicContact CB-CB 4.43Å; F484-W489 HydrophobicContact CD2-CB 3.65Å; F484-W489 AromaticContact CD2-CD1 3.99Å; F484-W489 AromaticContact CD2-CD2 3.64Å; F484-W489 HydrophobicContact CD2-CD2 3.64Å; F484-W489 HydrophobicContact CD2-CE3 4.04Å; F484-W489 AromaticContact CD2-CG 3.47Å; F484-W489 HydrophobicContact CD2-CG 3.47Å; F484-W489 VanDerWaalsContact CD2-CG 3.47Å; F484-W489 HydrophobicContact CE2-CB 4.49Å; F484-W489 AromaticContact CE2-CD2 3.6Å; F484-W489 HydrophobicContact CE2-CD2 3.6Å; F484-W489 AromaticContact CE2-CE3 3.72Å; F484-W489 HydrophobicContact CE2-CE3 3.72Å; F484-W489 AromaticContact CE2-CG 3.97Å; F484-W489 HydrophobicContact CE2-CG 3.97Å; F484-W489 HydrophobicContact CE2-CZ3 4.26Å; F484-W489 WeakPolarHBondContact O-CB 3.38Å; F484-W489 PolarHBondContact O-N 2.94Å; F484-L496 HydrophobicContact CB-CD1 3.99Å; F484-T523 HydrophobicContact CD1-CG2 4.14Å; F484-T523 WeakPolarHBondContact CD1-OG1 3.41Å; F484-T523 WeakPolarHBondContact CE1-OG1 3.39Å; F484-F526 HydrophobicContact CE2-CB 4.43Å; F484-F526 HydrophobicContact CZ-CB 4.5Å; F484-F526 HydrophobicContact CZ-CD2 4.43Å; F484-I527 HydrophobicContact CB-CD1 3.42Å; F484-I527 VanDerWaalsContact CB-CD1 3.42Å; F484-I527 HydrophobicContact CD2-CD1 3.84Å; F484-I527 HydrophobicContact CD2-CG1 4.28Å; F484-I527 HydrophobicContact CG-CD1 3.72Å; F484-I527 HydrophobicContact CG-CG1 4.35Å |
| 485 | S | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.6 | -36.1 | 175.9 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | L149 L481 L487 G488 | L149-S485 VanDerWaalsContact CD1-OG 3.26Å; L149-S485 WeakPolarHBondContact CD1-OG 3.34Å; L149-S485 WeakPolarHBondContact CG-OG 3.5Å; L481-S485 WeakPolarHBondContact O-CB 3.5Å; L481-S485 PolarHBondContact O-N 2.77Å; L481-S485 PolarHBondContact O-OG 2.67Å; S485-L487 PolarHBondContact O-N 3.48Å; S485-G488 PolarHBondContact O-N 2.86Å; S485-G488 VanDerWaalsContact O-N 3.08Å |
| 486 | T | 97.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.7 | 175.8 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | M38 Q76 R142 L149 W482 G488 | M38-T486 HydrophobicContact CE-CG2 4.12Å; M38-T486 WeakPolarHBondContact CE-OG1 3.3Å; Q76-T486 HydrophobicContact CG-CG2 4.4Å; Q76-T486 WeakPolarHBondContact CG-OG1 3.28Å; R142-T486 HydrophobicContact CB-CG2 3.92Å; R142-T486 HydrophobicContact CG-CG2 3.86Å; L149-T486 HydrophobicContact CD1-CG2 4.34Å; W482-T486 HydrophobicContact CD2-CG2 3.57Å; W482-T486 HydrophobicContact CE3-CG2 3.39Å; W482-T486 HydrophobicContact CG-CG2 4.3Å; W482-T486 HydrophobicContact CH2-CG2 3.84Å; W482-T486 HydrophobicContact CZ2-CG2 4Å; W482-T486 HydrophobicContact CZ3-CG2 3.54Å; W482-T486 VanDerWaalsContact O-CG2 3.26Å; W482-T486 WeakPolarHBondContact O-CG2 3.48Å; W482-T486 PolarHBondContact O-OG1 2.64Å; T486-G488 VanDerWaalsContact C-N 3.3Å |
| 487 | L | 97.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.1 | 175.9 | -57.9 | -179.6 | 0 | 0 | 0 | 112.2 | L74 T483 F484 S485 T493 A495 L496 F499 H500 | L74-L487 HydrophobicContact CD2-CD2 3.72Å; T483-L487 WeakPolarHBondContact O-CD1 3.26Å; F484-L487 PolarHBondContact O-N 2.99Å; S485-L487 PolarHBondContact O-N 3.48Å; L487-T493 PolarHBondContact O-OG1 2.98Å; L487-A495 HydrophobicContact CD2-CB 4.5Å; L487-L496 HydrophobicContact CB-CB 4.14Å; L487-L496 HydrophobicContact CB-CD1 4.03Å; L487-L496 HydrophobicContact CD1-CD1 4.27Å; L487-F499 HydrophobicContact CD1-CB 4.02Å; L487-F499 HydrophobicContact CD2-CB 4.17Å; L487-H500 HydrophobicContact CD1-CB 4.15Å |
| 488 | G | 96.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | 4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F484 S485 T486 E491 | F484-G488 PolarHBondContact O-N 3.37Å; S485-G488 PolarHBondContact O-N 2.86Å; S485-G488 VanDerWaalsContact O-N 3.08Å; T486-G488 VanDerWaalsContact C-N 3.3Å; G488-E491 CarbonylContact C-O 3.27Å; G488-E491 WeakPolarHBondContact O-CB 3.45Å; G488-E491 PolarHBondContact O-N 3.34Å |
| 489 | W | 98.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 140.6 | 169.9 | -171.8 | 97.9 | 0 | 0 | 0 | 110.2 | A152 E155 V156 F484 L496 F526 | A152-W489 HydrophobicContact CB-CE3 3.7Å; A152-W489 HydrophobicContact CB-CZ3 3.88Å; A152-W489 WeakPolarHBondContact CB-O 3.23Å; E155-W489 HydrophobicContact CB-CH2 3.9Å; E155-W489 HydrophobicContact CB-CZ3 3.91Å; E155-W489 HydrophobicContact CG-CH2 3.53Å; E155-W489 HydrophobicContact CG-CZ2 4.3Å; E155-W489 HydrophobicContact CG-CZ3 4Å; V156-W489 HydrophobicContact CG2-CH2 3.52Å; V156-W489 HydrophobicContact CG2-CZ3 3.58Å; F484-W489 HydrophobicContact CB-CB 4.43Å; F484-W489 HydrophobicContact CD2-CB 3.65Å; F484-W489 AromaticContact CD2-CD1 3.99Å; F484-W489 AromaticContact CD2-CD2 3.64Å; F484-W489 HydrophobicContact CD2-CD2 3.64Å; F484-W489 HydrophobicContact CD2-CE3 4.04Å; F484-W489 AromaticContact CD2-CG 3.47Å; F484-W489 HydrophobicContact CD2-CG 3.47Å; F484-W489 VanDerWaalsContact CD2-CG 3.47Å; F484-W489 HydrophobicContact CE2-CB 4.49Å; F484-W489 AromaticContact CE2-CD2 3.6Å; F484-W489 HydrophobicContact CE2-CD2 3.6Å; F484-W489 AromaticContact CE2-CE3 3.72Å; F484-W489 HydrophobicContact CE2-CE3 3.72Å; F484-W489 AromaticContact CE2-CG 3.97Å; F484-W489 HydrophobicContact CE2-CG 3.97Å; F484-W489 HydrophobicContact CE2-CZ3 4.26Å; F484-W489 WeakPolarHBondContact O-CB 3.38Å; F484-W489 PolarHBondContact O-N 2.94Å; W489-L496 HydrophobicContact CB-CD2 4.15Å; W489-F526 HydrophobicContact CH2-CD1 4.18Å; W489-F526 HydrophobicContact CH2-CG 4.42Å; W489-F526 HydrophobicContact CZ2-CB 4.03Å; W489-F526 AromaticContact CZ2-CD1 3.88Å; W489-F526 HydrophobicContact CZ2-CD1 3.88Å; W489-F526 HydrophobicContact CZ2-CG 4.08Å |
| 490 | P | 96.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 26% | 0.26 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.2 | -3.5 | 15.9 | 33.5 | -36.8 | 0 | 0 | 0 | 116.4 | E155 | E155-P490 HydrophobicContact CB-CB 4.48Å; E155-P490 HydrophobicContact CB-CG 4.31Å; E155-P490 HydrophobicContact CG-CB 3.96Å; E155-P490 HydrophobicContact CG-CG 4.23Å |
| 491 | E | 96.5 | Very high | 96.6 | Very high | 132 Ų | 132 | 34.5 Ų | 34.5 | 62% | 0.617 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -74.6 | 143.7 | 174.4 | -54.3 | -53.7 | 146.6 | 0 | 0 | 111 | G488 T493 | G488-E491 CarbonylContact C-O 3.27Å; G488-E491 WeakPolarHBondContact O-CB 3.45Å; G488-E491 PolarHBondContact O-N 3.34Å; E491-T493 VanDerWaalsContact C-N 3.32Å; E491-T493 HydrophobicContact CB-CG2 4.06Å; E491-T493 PolarHBondContact O-N 3.29Å; E491-T493 VanDerWaalsContact O-N 3.07Å |
| 492 | N | 93 | Very high | 96.6 | Very high | 112 Ų | 112 | 34.5 Ų | 34.5 | 60% | 0.599 | 18% | 0.179 | S | C | * | . | trans | -83.8 | 78.2 | 173.8 | -171 | 7 | 0 | 0 | 0 | 109.6 | R497 | N492-R497 PolarHBondContact ND2-NH1 3.01Å; N492-R497 PolarHBondContact O-NH1 2.63Å; N492-R497 WeakPolarHBondContact OD1-CG 3.32Å; N492-R497 PolarHBondContact OD1-NH1 3.43Å | ||
| 493 | T | 95.8 | Very high | 96.6 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 26% | 0.264 | 19% | 0.185 | S | C | . | . | trans | -80.9 | 163.5 | -179.5 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | L487 E491 A495 L496 R497 | L487-T493 PolarHBondContact O-OG1 2.98Å; E491-T493 VanDerWaalsContact C-N 3.32Å; E491-T493 HydrophobicContact CB-CG2 4.06Å; E491-T493 PolarHBondContact O-N 3.29Å; E491-T493 VanDerWaalsContact O-N 3.07Å; T493-A495 VanDerWaalsContact C-N 3.3Å; T493-A495 PolarHBondContact O-N 3.2Å; T493-L496 PolarHBondContact O-N 3.45Å; T493-L496 WeakPolarHBondContact OG1-CB 3.38Å; T493-L496 PolarHBondContact OG1-N 3.18Å; T493-R497 PolarHBondContact O-N 2.99Å; T493-R497 VanDerWaalsContact O-N 3.15Å | ||
| 494 | D | 94.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 35.4 Ų | 35.4 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 172.1 | -63.5 | -40.1 | 0 | 0 | 0 | 111.6 | L496 R497 Q498 | D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact O-N 2.8Å; D494-R497 PolarHBondContact O-N 2.83Å; D494-R497 IonicContact OD1-CZ 2.85Å; D494-R497 IonicContact OD1-NE 3.06Å; D494-R497 IonicContact OD1-NH2 3.85Å; D494-R497 PolarHBondContact OD1-NH2 2.78Å; D494-Q498 WeakPolarHBondContact O-CB 3.1Å; D494-Q498 VanDerWaalsContact O-CG 3.25Å; D494-Q498 WeakPolarHBondContact O-CG 3.38Å; D494-Q498 PolarHBondContact O-N 3.45Å |
| 495 | A | 95.2 | Very high | 96.7 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L487 T493 F499 | L487-A495 HydrophobicContact CD2-CB 4.5Å; T493-A495 VanDerWaalsContact C-N 3.3Å; T493-A495 PolarHBondContact O-N 3.2Å; A495-F499 HydrophobicContact CB-CD2 4.48Å; A495-F499 WeakPolarHBondContact O-CB 3.4Å; A495-F499 WeakPolarHBondContact O-CD2 3.48Å; A495-F499 PolarHBondContact O-N 2.96Å |
| 496 | L | 96.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 175 | -176.6 | 65.4 | 0 | 0 | 0 | 110.7 | F484 L487 W489 T493 D494 Q498 H500 I527 | F484-L496 HydrophobicContact CB-CD1 3.99Å; L487-L496 HydrophobicContact CB-CB 4.14Å; L487-L496 HydrophobicContact CB-CD1 4.03Å; L487-L496 HydrophobicContact CD1-CD1 4.27Å; W489-L496 HydrophobicContact CB-CD2 4.15Å; T493-L496 PolarHBondContact O-N 3.45Å; T493-L496 WeakPolarHBondContact OG1-CB 3.38Å; T493-L496 PolarHBondContact OG1-N 3.18Å; D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact O-N 2.8Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.87Å; L496-H500 HydrophobicContact CD1-CB 3.9Å; L496-H500 WeakPolarHBondContact O-CB 3.45Å; L496-H500 PolarHBondContact O-N 3.18Å; L496-H500 VanDerWaalsContact O-N 3.08Å; L496-I527 HydrophobicContact CD1-CD1 3.99Å |
| 497 | R | 94.7 | Very high | 96.5 | Very high | 131 Ų | 131 | 35.2 Ų | 35.2 | 49% | 0.494 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 178.3 | -73.4 | -171.3 | -72.2 | -82.6 | 6.2 | 113.6 | N492 T493 D494 | N492-R497 PolarHBondContact ND2-NH1 3.01Å; N492-R497 PolarHBondContact O-NH1 2.63Å; N492-R497 WeakPolarHBondContact OD1-CG 3.32Å; N492-R497 PolarHBondContact OD1-NH1 3.43Å; T493-R497 PolarHBondContact O-N 2.99Å; T493-R497 VanDerWaalsContact O-N 3.15Å; D494-R497 PolarHBondContact O-N 2.83Å; D494-R497 IonicContact OD1-CZ 2.85Å; D494-R497 IonicContact OD1-NE 3.06Å; D494-R497 IonicContact OD1-NH2 3.85Å; D494-R497 PolarHBondContact OD1-NH2 2.78Å |
| 498 | Q | 95.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 35 Ų | 35 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -80.7 | -35.1 | -174.1 | -72.4 | 175.1 | -2.8 | 0 | 0 | 112.9 | E30 S34 D494 L496 | E30-Q498 PolarHBondContact OE1-NE2 2.97Å; S34-Q498 WeakPolarHBondContact CB-O 3.47Å; S34-Q498 PolarHBondContact OG-O 2.72Å; D494-Q498 WeakPolarHBondContact O-CB 3.1Å; D494-Q498 VanDerWaalsContact O-CG 3.25Å; D494-Q498 WeakPolarHBondContact O-CG 3.38Å; D494-Q498 PolarHBondContact O-N 3.45Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.87Å |
| 499 | F | 97.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -116.7 | -1.9 | -168.7 | -62.3 | -67.9 | 0 | 0 | 0 | 115 | P26 C36 N72 L74 L487 A495 P501 T502 | P26-F499 HydrophobicContact CB-CE1 4.48Å; P26-F499 HydrophobicContact CB-CE2 4.33Å; P26-F499 HydrophobicContact CB-CZ 3.61Å; P26-F499 HydrophobicContact CG-CE2 4.27Å; P26-F499 HydrophobicContact CG-CZ 3.89Å; C36-F499 HydrophobicContact CB-CB 3.97Å; C36-F499 HydrophobicContact CB-CD1 3.98Å; C36-F499 HydrophobicContact CB-CG 4.39Å; N72-F499 WeakPolarHBondContact ND2-CZ 3.43Å; N72-F499 WeakPolarHBondContact O-CE1 3.28Å; L74-F499 HydrophobicContact CB-CD1 3.59Å; L74-F499 HydrophobicContact CB-CD2 4.25Å; L74-F499 HydrophobicContact CB-CE1 3.52Å; L74-F499 HydrophobicContact CB-CE2 4.2Å; L74-F499 HydrophobicContact CB-CG 3.98Å; L74-F499 HydrophobicContact CB-CZ 3.86Å; L74-F499 HydrophobicContact CD2-CB 4.1Å; L74-F499 HydrophobicContact CD2-CD1 4.2Å; L74-F499 HydrophobicContact CD2-CD2 3.56Å; L74-F499 HydrophobicContact CD2-CE2 4.02Å; L74-F499 HydrophobicContact CD2-CG 3.67Å; L74-F499 HydrophobicContact CG-CG 4.48Å; L487-F499 HydrophobicContact CD1-CB 4.02Å; L487-F499 HydrophobicContact CD2-CB 4.17Å; A495-F499 HydrophobicContact CB-CD2 4.48Å; A495-F499 WeakPolarHBondContact O-CB 3.4Å; A495-F499 WeakPolarHBondContact O-CD2 3.48Å; A495-F499 PolarHBondContact O-N 2.96Å; F499-P501 CarbonylContact O-C 3.39Å; F499-P501 VanDerWaalsContact O-C 3.27Å; F499-P501 VanDerWaalsContact O-O 3.07Å; F499-T502 PolarHBondContact O-N 3.09Å |
| 500 | H | 97.6 | Very high | 95.6 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 135.4 | 168.9 | -177.5 | 77.8 | 0 | 0 | 0 | 110.5 | L487 L496 T523 I527 Q535 V536 | L487-H500 HydrophobicContact CD1-CB 4.15Å; L496-H500 HydrophobicContact CD1-CB 3.9Å; L496-H500 WeakPolarHBondContact O-CB 3.45Å; L496-H500 PolarHBondContact O-N 3.18Å; L496-H500 VanDerWaalsContact O-N 3.08Å; H500-T523 WeakPolarHBondContact CE1-CG2 3.35Å; H500-I527 WeakPolarHBondContact NE2-CG2 3.43Å; H500-Q535 PolarHBondContact CD2-OE1 2.9Å; H500-Q535 VanDerWaalsContact CD2-OE1 3.23Å; H500-Q535 PolarHBondContact NE2-OE1 3.21Å; H500-V536 PolarHBondContact CE1-O 3.3Å |
| 501 | P | 97.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 26% | 0.26 | 19% | 0.19 | S | C | . | . | S | Bend | cis | -63 | 153.3 | -9.8 | 30.3 | -38.8 | 0 | 0 | 0 | 112.2 | F499 V536 H539 | F499-P501 CarbonylContact O-C 3.39Å; F499-P501 VanDerWaalsContact O-C 3.27Å; F499-P501 VanDerWaalsContact O-O 3.07Å; P501-V536 HydrophobicContact CB-CG2 4.15Å; P501-V536 VanDerWaalsContact CB-O 3.23Å; P501-V536 WeakPolarHBondContact CB-O 3.07Å; P501-H539 VanDerWaalsContact CG-NE2 3.28Å; P501-H539 WeakPolarHBondContact CG-NE2 3.28Å |
| 502 | T | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 162.6 | 174.1 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | C36 M38 F499 P537 F538 H539 | C36-T502 HydrophobicContact CB-CG2 4.2Å; M38-T502 HydrophobicContact CG-CG2 3.87Å; M38-T502 HydrophobicContact SD-CG2 4.06Å; F499-T502 PolarHBondContact O-N 3.09Å; T502-P537 PolarHBondContact N-O 2.95Å; T502-P537 PolarHBondContact OG1-O 3.22Å; T502-F538 WeakPolarHBondContact O-CA 3.5Å; T502-F538 WeakPolarHBondContact OG1-CB 3.41Å; T502-H539 PolarHBondContact O-N 2.86Å |
| 503 | S | 98.5 | Very high | 95 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -52.4 | -174.3 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | F35 C36 H539 T540 | F35-S503 WeakPolarHBondContact CA-OG 3.46Å; C36-S503 PolarHBondContact N-OG 2.98Å; C36-S503 WeakPolarHBondContact O-CB 3.29Å; C36-S503 PolarHBondContact O-N 3.18Å; S503-H539 PolarHBondContact O-N 3.28Å; S503-T540 PolarHBondContact O-N 3.45Å; S503-T540 VanDerWaalsContact O-N 3.08Å |
| 504 | V | 98.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.2 | -174.8 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | F35 C36 I37 M62 V506 T540 F695 | F35-V504 HydrophobicContact CE2-CG2 4.19Å; F35-V504 HydrophobicContact CZ-CG2 3.84Å; C36-V504 PolarHBondContact O-N 3.45Å; I37-V504 HydrophobicContact CD1-CB 4.1Å; I37-V504 HydrophobicContact CG1-CB 4.09Å; M62-V504 HydrophobicContact CE-CG1 4.13Å; M62-V504 HydrophobicContact SD-CG1 4.28Å; M62-V504 HydrophobicContact SD-CG2 4.35Å; V504-V506 HydrophobicContact CG1-CG2 4.1Å; V504-T540 CarbonylContact C-O 3.59Å; V504-T540 WeakPolarHBondContact CA-O 3.36Å; V504-F695 HydrophobicContact CG1-CE1 3.98Å; V504-F695 HydrophobicContact CG2-CE1 3.92Å; V504-F695 HydrophobicContact CG2-CZ 4.03Å |
| 505 | M | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.4 | 166.8 | 178.9 | 57.7 | 67.3 | 0 | 0 | 109.6 | M38 T483 W515 I516 M519 F538 T540 V541 Y542 | M38-M505 HydrophobicContact CB-CE 3.83Å; M38-M505 HydrophobicContact CG-CE 4.25Å; T483-M505 HydrophobicContact CG2-CE 3.78Å; M505-W515 HydrophobicContact CE-CH2 4.12Å; M505-W515 HydrophobicContact SD-CH2 3.69Å; M505-W515 HydrophobicContact SD-CZ3 3.81Å; M505-I516 HydrophobicContact CB-CD1 4.49Å; M505-I516 HydrophobicContact CG-CD1 3.31Å; M505-I516 HydrophobicContact SD-CD1 4.28Å; M505-M519 HydrophobicContact CE-CE 3.66Å; M505-M519 HydrophobicContact CE-SD 3.74Å; M505-M519 HydrophobicContact CG-CE 4.22Å; M505-M519 HydrophobicContact SD-CE 4.06Å; M505-F538 HydrophobicContact CB-CB 4.3Å; M505-F538 HydrophobicContact CB-CD1 3.59Å; M505-F538 HydrophobicContact CB-CD2 4.14Å; M505-F538 HydrophobicContact CB-CE1 3.9Å; M505-F538 HydrophobicContact CB-CE2 4.43Å; M505-F538 HydrophobicContact CB-CG 3.72Å; M505-F538 HydrophobicContact CB-CZ 4.31Å; M505-F538 HydrophobicContact CE-CD1 3.9Å; M505-F538 HydrophobicContact CE-CE1 3.92Å; M505-F538 HydrophobicContact CG-CD1 4.14Å; M505-F538 HydrophobicContact CG-CE1 3.97Å; M505-F538 HydrophobicContact CG-CZ 4.36Å; M505-T540 PolarHBondContact N-O 3.34Å; M505-V541 CarbonylContact O-C 3.55Å; M505-V541 WeakPolarHBondContact O-CA 3.33Å; M505-Y542 PolarHBondContact O-N 3.2Å |
| 506 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.8 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | P40 Q55 M59 M62 V504 Y542 T544 | P40-V506 WeakPolarHBondContact CG-O 3.41Å; Q55-V506 HydrophobicContact CB-CG1 4.21Å; Q55-V506 HydrophobicContact CG-CG1 4.21Å; M59-V506 HydrophobicContact CG-CB 3.68Å; M59-V506 HydrophobicContact CG-CG1 4.16Å; M59-V506 HydrophobicContact CG-CG2 3.49Å; M59-V506 VanDerWaalsContact CG-CG2 3.49Å; M59-V506 HydrophobicContact SD-CB 4.04Å; M59-V506 HydrophobicContact SD-CG2 4.38Å; M62-V506 HydrophobicContact CE-CG2 3.56Å; V504-V506 HydrophobicContact CG1-CG2 4.1Å; V506-Y542 WeakPolarHBondContact CA-O 3.26Å; V506-Y542 HydrophobicContact CB-CD1 4.46Å; V506-Y542 HydrophobicContact CG1-CD1 3.99Å; V506-Y542 HydrophobicContact CG2-CD1 4.02Å; V506-T544 HydrophobicContact CG1-CG2 3.89Å |
| 507 | S | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 161.7 | -178.4 | -166.8 | 0 | 0 | 0 | 0 | 113.6 | I511 Y542 M543 T544 | S507-I511 VanDerWaalsContact OG-CD1 3.31Å; S507-I511 WeakPolarHBondContact OG-CD1 3.16Å; S507-I511 WeakPolarHBondContact OG-CG1 3.31Å; S507-Y542 PolarHBondContact N-O 3.4Å; S507-M543 WeakPolarHBondContact O-CA 3.38Å; S507-M543 WeakPolarHBondContact O-CE 3.41Å; S507-T544 PolarHBondContact O-N 3.25Å; S507-T544 PolarHBondContact O-OG1 3.16Å |
| 508 | G | 92.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 146 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D510 I511 M543 | G508-D510 PolarHBondContact O-N 3.25Å; G508-I511 WeakPolarHBondContact O-CG1 3.46Å; G508-I511 PolarHBondContact O-N 3.39Å; G508-M543 VanDerWaalsContact O-CE 3.31Å; G508-M543 WeakPolarHBondContact O-CE 3.37Å |
| 509 | F | 92.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 13.6 Ų | 13.6 | 12% | 0.123 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -66.3 | -20.1 | -177.1 | 69.9 | -101.8 | 0 | 0 | 0 | 114.4 | Y409 M412 I511 I512 M543 L546 R626 | Y409-F509 HydrophobicContact CD1-CB 3.93Å; Y409-F509 HydrophobicContact CE1-CB 3.34Å; Y409-F509 HydrophobicContact CE1-CD1 4.26Å; Y409-F509 AromaticContact CE1-CG 3.83Å; Y409-F509 HydrophobicContact CE1-CG 3.83Å; Y409-F509 WeakPolarHBondContact OH-CD1 3.29Å; M412-F509 HydrophobicContact CE-CB 3.83Å; M412-F509 HydrophobicContact CE-CD2 4.3Å; M412-F509 WeakPolarHBondContact CE-O 3.06Å; F509-I511 PolarHBondContact O-N 2.9Å; F509-I512 HydrophobicContact CB-CD1 4.38Å; F509-M543 HydrophobicContact CB-CE 3.77Å; F509-L546 HydrophobicContact CD1-CG 4.4Å; F509-L546 HydrophobicContact CE1-CD1 3.96Å; F509-L546 HydrophobicContact CE1-CG 3.7Å; F509-L546 HydrophobicContact CE2-CD1 4.27Å; F509-L546 HydrophobicContact CZ-CD1 3.64Å; F509-L546 HydrophobicContact CZ-CG 3.94Å; F509-R626 HydrophobicContact CD1-CG 4.49Å; F509-R626 HydrophobicContact CE1-CB 3.92Å; F509-R626 HydrophobicContact CE1-CG 4.02Å; F509-R626 WeakPolarHBondContact CE1-O 3.37Å; F509-R626 HydrophobicContact CZ-CB 4.21Å; F509-R626 HydrophobicContact CZ-CG 4.29Å |
| 510 | D | 87.9 | Confident | 95 | Very high | 59 Ų | 59 | 13.5 Ų | 13.5 | 32% | 0.316 | 7% | 0.07 | S | C | . | . | G | 310 helix | trans | -70.2 | -17 | 177.6 | 57.1 | -28.2 | 0 | 0 | 0 | 113.7 | G508 L546 K554 | G508-D510 PolarHBondContact O-N 3.25Å; D510-L546 HydrophobicContact CB-CD1 4.41Å; D510-K554 IonicContact OD2-NZ 3.69Å; D510-K554 PolarHBondContact OD2-NZ 3.03Å |
| 511 | I | 90.4 | Very high | 95 | Very high | 41 Ų | 41 | 12.9 Ų | 12.9 | 21% | 0.21 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -116.2 | 15 | -179.4 | 66.6 | 169.4 | 0 | 0 | 0 | 115.1 | W476 S507 G508 F509 F513 F514 W515 | W476-I511 HydrophobicContact CH2-CG2 4.39Å; S507-I511 VanDerWaalsContact OG-CD1 3.31Å; S507-I511 WeakPolarHBondContact OG-CD1 3.16Å; S507-I511 WeakPolarHBondContact OG-CG1 3.31Å; G508-I511 WeakPolarHBondContact O-CG1 3.46Å; G508-I511 PolarHBondContact O-N 3.39Å; F509-I511 PolarHBondContact O-N 2.9Å; I511-F513 PolarHBondContact O-N 2.92Å; I511-F514 HydrophobicContact CB-CB 4.47Å; I511-F514 HydrophobicContact CB-CD2 4.48Å; I511-F514 HydrophobicContact CG2-CD2 4.3Å; I511-F514 PolarHBondContact O-N 2.82Å; I511-W515 HydrophobicContact CD1-CE3 3.93Å; I511-W515 PolarHBondContact O-N 3.25Å |
| 512 | I | 92.8 | Very high | 95 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | I | π-helix | trans | -55.7 | -51.1 | 175.7 | -66.9 | -178.8 | 0 | 0 | 0 | 110.7 | F404 Y409 M412 Y413 W416 F509 I516 A517 M543 | F404-I512 HydrophobicContact CE1-CD1 4.09Å; F404-I512 HydrophobicContact CE1-CG2 4.3Å; Y409-I512 HydrophobicContact CD1-CD1 4.25Å; Y409-I512 HydrophobicContact CG-CD1 4.4Å; M412-I512 HydrophobicContact CE-CD1 3.36Å; M412-I512 HydrophobicContact CE-CG1 4.18Å; Y413-I512 HydrophobicContact CD2-CG2 4.07Å; W416-I512 HydrophobicContact CE3-CG2 4.3Å; W416-I512 HydrophobicContact CZ3-CB 3.8Å; W416-I512 HydrophobicContact CZ3-CG2 3.91Å; F509-I512 HydrophobicContact CB-CD1 4.38Å; I512-I516 HydrophobicContact CG2-CB 4.39Å; I512-I516 WeakPolarHBondContact O-CA 3.39Å; I512-I516 WeakPolarHBondContact O-CB 3.32Å; I512-I516 PolarHBondContact O-N 3.12Å; I512-I516 VanDerWaalsContact O-N 3.08Å; I512-A517 PolarHBondContact O-N 3.45Å; I512-M543 HydrophobicContact CD1-CE 3.54Å; I512-M543 HydrophobicContact CD1-CG 4.37Å; I512-M543 HydrophobicContact CD1-SD 3.82Å; I512-M543 HydrophobicContact CG1-CE 3.45Å; I512-M543 VanDerWaalsContact CG1-CE 3.45Å; I512-M543 HydrophobicContact CG1-SD 3.88Å |
| 513 | F | 90.5 | Very high | 95 | Very high | 36 Ų | 36 | 11 Ų | 11 | 16% | 0.158 | 6% | 0.055 | C | C | . | . | I | π-helix | trans | -67.7 | -43.2 | -179.2 | -179.6 | -94.6 | 0 | 0 | 0 | 112.8 | L186 W416 I420 I511 W515 | L186-F513 HydrophobicContact CD1-CB 4.12Å; L186-F513 HydrophobicContact CD1-CD1 3.04Å; L186-F513 HydrophobicContact CD1-CE1 3.55Å; L186-F513 HydrophobicContact CD1-CG 3.82Å; L186-F513 HydrophobicContact CG-CD1 4.41Å; W416-F513 HydrophobicContact CB-CD2 3.47Å; W416-F513 VanDerWaalsContact CB-CD2 3.47Å; W416-F513 HydrophobicContact CB-CE2 3.95Å; W416-F513 HydrophobicContact CB-CG 4.43Å; W416-F513 HydrophobicContact CD2-CB 4.02Å; W416-F513 HydrophobicContact CD2-CD2 4.38Å; W416-F513 HydrophobicContact CE3-CB 3.94Å; W416-F513 HydrophobicContact CG-CB 4.38Å; W416-F513 AromaticContact CG-CD2 3.89Å; W416-F513 HydrophobicContact CG-CD2 3.89Å; W416-F513 HydrophobicContact CG-CG 4.43Å; W416-F513 HydrophobicContact CZ3-CB 4.31Å; I420-F513 HydrophobicContact CD1-CE2 4.09Å; I420-F513 HydrophobicContact CD1-CZ 4.45Å; I420-F513 HydrophobicContact CG1-CE2 4.13Å; I420-F513 HydrophobicContact CG1-CZ 4.32Å; I511-F513 PolarHBondContact O-N 2.92Å; F513-W515 VanDerWaalsContact C-N 3.33Å; F513-W515 PolarHBondContact O-N 3.35Å |
| 514 | F | 87.5 | Confident | 95 | Very high | 24 Ų | 24 | 11 Ų | 11 | 11% | 0.105 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -67 | -34.6 | -174.8 | -69.6 | -70.5 | 0 | 0 | 0 | 113.5 | L186 E187 W476 I511 R518 | L186-F514 HydrophobicContact CB-CE1 3.41Å; L186-F514 VanDerWaalsContact CB-CE1 3.41Å; L186-F514 HydrophobicContact CB-CE2 3.79Å; L186-F514 HydrophobicContact CB-CZ 3Å; L186-F514 HydrophobicContact CD1-CD1 3.99Å; L186-F514 HydrophobicContact CD1-CD2 4.28Å; L186-F514 HydrophobicContact CD1-CE1 3.62Å; L186-F514 HydrophobicContact CD1-CE2 3.92Å; L186-F514 HydrophobicContact CD1-CG 4.35Å; L186-F514 HydrophobicContact CD1-CZ 3.65Å; L186-F514 HydrophobicContact CG-CE1 4.17Å; L186-F514 HydrophobicContact CG-CE2 4.48Å; L186-F514 HydrophobicContact CG-CZ 3.97Å; E187-F514 HydrophobicContact CG-CE1 4.48Å; W476-F514 HydrophobicContact CD2-CB 3.93Å; W476-F514 HydrophobicContact CE3-CB 4.11Å; W476-F514 HydrophobicContact CH2-CB 3.81Å; W476-F514 HydrophobicContact CZ2-CB 3.6Å; W476-F514 HydrophobicContact CZ2-CD1 4.25Å; W476-F514 AromaticContact CZ2-CG 3.95Å; W476-F514 HydrophobicContact CZ2-CG 3.95Å; W476-F514 HydrophobicContact CZ3-CB 4.08Å; W476-F514 AromaticContact NE1-CD1 3.8Å; I511-F514 HydrophobicContact CB-CB 4.47Å; I511-F514 HydrophobicContact CB-CD2 4.48Å; I511-F514 HydrophobicContact CG2-CD2 4.3Å; I511-F514 PolarHBondContact O-N 2.82Å; F514-R518 WeakPolarHBondContact O-CD 3.34Å; F514-R518 WeakPolarHBondContact O-CG 3.41Å; F514-R518 PolarHBondContact O-NE 3.49Å |
| 515 | W | 94.3 | Very high | 95 | Very high | 6 Ų | 6 | 12.5 Ų | 12.5 | 2% | 0.023 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -125.5 | -56 | -168.9 | -163 | 32.3 | 0 | 0 | 0 | 112.9 | P40 P41 W476 S479 W482 M505 I511 F513 A517 R518 M519 | P40-W515 HydrophobicContact CB-CE3 4.5Å; P40-W515 HydrophobicContact CB-CH2 3.78Å; P40-W515 HydrophobicContact CB-CZ3 3.5Å; P40-W515 HydrophobicContact CG-CH2 4.05Å; P40-W515 HydrophobicContact CG-CZ3 3.74Å; P41-W515 HydrophobicContact CG-CZ2 4.48Å; W476-W515 HydrophobicContact CE3-CB 3.88Å; W476-W515 HydrophobicContact CE3-CG 4.11Å; W476-W515 HydrophobicContact CH2-CB 4.49Å; W476-W515 HydrophobicContact CZ3-CB 3.55Å; W476-W515 AromaticContact CZ3-CG 3.82Å; W476-W515 HydrophobicContact CZ3-CG 3.82Å; S479-W515 PolarHBondContact O-NE1 3.33Å; W482-W515 HydrophobicContact CB-CZ2 4.34Å; W482-W515 AromaticContact CD1-CZ2 3.87Å; W482-W515 HydrophobicContact CG-CZ2 4.3Å; M505-W515 HydrophobicContact CE-CH2 4.12Å; M505-W515 HydrophobicContact SD-CH2 3.69Å; M505-W515 HydrophobicContact SD-CZ3 3.81Å; I511-W515 HydrophobicContact CD1-CE3 3.93Å; I511-W515 PolarHBondContact O-N 3.25Å; F513-W515 VanDerWaalsContact C-N 3.33Å; F513-W515 PolarHBondContact O-N 3.35Å; W515-A517 PolarHBondContact O-N 3.47Å; W515-R518 PolarHBondContact O-N 2.77Å; W515-M519 HydrophobicContact CD2-CE 3.53Å; W515-M519 HydrophobicContact CD2-SD 4.23Å; W515-M519 VanDerWaalsContact CE2-SD 3.59Å; W515-M519 HydrophobicContact CE3-CE 3.92Å; W515-M519 HydrophobicContact CG-CE 3.82Å; W515-M519 HydrophobicContact CG-SD 4.5Å; W515-M519 HydrophobicContact CH2-CE 4.12Å; W515-M519 HydrophobicContact CH2-SD 4.44Å; W515-M519 HydrophobicContact CZ2-CE 3.87Å; W515-M519 HydrophobicContact CZ2-SD 3.74Å; W515-M519 HydrophobicContact CZ3-CE 4.18Å; W515-M519 WeakPolarHBondContact O-CB 3.16Å; W515-M519 WeakPolarHBondContact O-CG 3.24Å; W515-M519 PolarHBondContact O-N 3.29Å |
| 516 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -60.8 | -50.9 | -176 | -55.1 | -68.4 | 0 | 0 | 0 | 110.5 | F404 M505 I512 R518 M519 I520 F538 V541 | F404-I516 HydrophobicContact CE1-CG2 4.42Å; F404-I516 HydrophobicContact CZ-CG2 4.15Å; M505-I516 HydrophobicContact CB-CD1 4.49Å; M505-I516 HydrophobicContact CG-CD1 3.31Å; M505-I516 HydrophobicContact SD-CD1 4.28Å; I512-I516 HydrophobicContact CG2-CB 4.39Å; I512-I516 WeakPolarHBondContact O-CA 3.39Å; I512-I516 WeakPolarHBondContact O-CB 3.32Å; I512-I516 PolarHBondContact O-N 3.12Å; I512-I516 VanDerWaalsContact O-N 3.08Å; I516-R518 VanDerWaalsContact C-N 3.31Å; I516-R518 PolarHBondContact O-N 3.37Å; I516-M519 HydrophobicContact CD1-CE 3.64Å; I516-M519 HydrophobicContact CG1-CE 4.48Å; I516-M519 PolarHBondContact O-N 2.85Å; I516-I520 HydrophobicContact CG2-CD1 4.04Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.47Å; I516-I520 PolarHBondContact O-N 3.31Å; I516-F538 HydrophobicContact CD1-CZ 4.49Å; I516-F538 HydrophobicContact CG2-CE2 4.12Å; I516-F538 HydrophobicContact CG2-CZ 3.8Å; I516-V541 HydrophobicContact CD1-CG1 4.16Å; I516-V541 HydrophobicContact CG1-CG1 4.48Å; I516-V541 HydrophobicContact CG2-CG1 4.14Å; I516-V541 HydrophobicContact CG2-CG2 4.17Å |
| 517 | A | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 2% | 0.017 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y413 M417 I512 W515 I520 M521 | Y413-A517 HydrophobicContact CD2-CB 4.44Å; Y413-A517 HydrophobicContact CE2-CB 3.98Å; M417-A517 HydrophobicContact SD-CB 3.57Å; M417-A517 VanDerWaalsContact SD-CB 3.57Å; I512-A517 PolarHBondContact O-N 3.45Å; W515-A517 PolarHBondContact O-N 3.47Å; A517-I520 PolarHBondContact O-N 3.37Å; A517-M521 WeakPolarHBondContact O-CG 3.34Å; A517-M521 PolarHBondContact O-N 3.47Å |
| 518 | R | 96.2 | Very high | 95 | Very high | 9 Ų | 9 | 19.1 Ų | 19.1 | 3% | 0.034 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71 | -35.8 | -179.4 | -54.3 | -168.9 | -177.2 | 164.9 | -19 | 112.1 | W423 D474 A480 F514 W515 I516 M521 M522 | W423-R518 VanDerWaalsContact CE2-CZ 3.46Å; W423-R518 HydrophobicContact CE3-CG 4.48Å; W423-R518 HydrophobicContact CH2-CB 4.2Å; W423-R518 HydrophobicContact CH2-CG 4.26Å; W423-R518 VanDerWaalsContact CZ2-CD 3.46Å; W423-R518 HydrophobicContact CZ3-CB 4.11Å; W423-R518 HydrophobicContact CZ3-CG 4.14Å; D474-R518 IonicContact OD2-NH1 2.74Å; D474-R518 PolarHBondContact OD2-NH1 3.45Å; A480-R518 HydrophobicContact CB-CB 3.79Å; F514-R518 WeakPolarHBondContact O-CD 3.34Å; F514-R518 WeakPolarHBondContact O-CG 3.41Å; F514-R518 PolarHBondContact O-NE 3.49Å; W515-R518 PolarHBondContact O-N 2.77Å; I516-R518 VanDerWaalsContact C-N 3.31Å; I516-R518 PolarHBondContact O-N 3.37Å; R518-M521 HydrophobicContact CB-CE 4.41Å; R518-M521 HydrophobicContact CG-CE 4.07Å; R518-M522 WeakPolarHBondContact O-CB 3.35Å; R518-M522 VanDerWaalsContact O-CG 3.28Å; R518-M522 WeakPolarHBondContact O-CG 3.43Å; R518-M522 PolarHBondContact O-N 3.22Å |
| 519 | M | 98 | Very high | 95 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 170.7 | -75.9 | -172.5 | -69.5 | 0 | 0 | 111.4 | A480 T483 M505 W515 I516 M522 T523 F538 | A480-M519 WeakPolarHBondContact O-CA 3.25Å; A480-M519 WeakPolarHBondContact O-CG 3.38Å; T483-M519 HydrophobicContact CG2-SD 3.73Å; M505-M519 HydrophobicContact CE-CE 3.66Å; M505-M519 HydrophobicContact CE-SD 3.74Å; M505-M519 HydrophobicContact CG-CE 4.22Å; M505-M519 HydrophobicContact SD-CE 4.06Å; W515-M519 HydrophobicContact CD2-CE 3.53Å; W515-M519 HydrophobicContact CD2-SD 4.23Å; W515-M519 VanDerWaalsContact CE2-SD 3.59Å; W515-M519 HydrophobicContact CE3-CE 3.92Å; W515-M519 HydrophobicContact CG-CE 3.82Å; W515-M519 HydrophobicContact CG-SD 4.5Å; W515-M519 HydrophobicContact CH2-CE 4.12Å; W515-M519 HydrophobicContact CH2-SD 4.44Å; W515-M519 HydrophobicContact CZ2-CE 3.87Å; W515-M519 HydrophobicContact CZ2-SD 3.74Å; W515-M519 HydrophobicContact CZ3-CE 4.18Å; W515-M519 WeakPolarHBondContact O-CB 3.16Å; W515-M519 WeakPolarHBondContact O-CG 3.24Å; W515-M519 PolarHBondContact O-N 3.29Å; I516-M519 HydrophobicContact CD1-CE 3.64Å; I516-M519 HydrophobicContact CG1-CE 4.48Å; I516-M519 PolarHBondContact O-N 2.85Å; M519-M522 PolarHBondContact O-N 3.37Å; M519-T523 VanDerWaalsContact O-CB 3.22Å; M519-T523 WeakPolarHBondContact O-CB 3.17Å; M519-T523 PolarHBondContact O-N 3.24Å; M519-T523 PolarHBondContact O-OG1 2.86Å; M519-F538 HydrophobicContact CB-CE1 4.22Å; M519-F538 HydrophobicContact CE-CE1 3.97Å; M519-F538 HydrophobicContact CE-CZ 4.44Å; M519-F538 HydrophobicContact SD-CE1 4.3Å |
| 520 | I | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -51.3 | 178.3 | -60.5 | 165.7 | 0 | 0 | 0 | 110.3 | A393 I402 Y413 I516 A517 M522 M524 P537 F538 | A393-I520 HydrophobicContact CB-CB 4.24Å; A393-I520 HydrophobicContact CB-CG2 3.49Å; A393-I520 VanDerWaalsContact CB-CG2 3.49Å; I402-I520 HydrophobicContact CD1-CB 4.41Å; I402-I520 HydrophobicContact CD1-CD1 3.79Å; I402-I520 HydrophobicContact CD1-CG1 3.72Å; I402-I520 HydrophobicContact CD1-CG2 3.77Å; Y413-I520 HydrophobicContact CE2-CD1 3.83Å; I516-I520 HydrophobicContact CG2-CD1 4.04Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.47Å; I516-I520 PolarHBondContact O-N 3.31Å; A517-I520 PolarHBondContact O-N 3.37Å; I520-M522 PolarHBondContact O-N 2.78Å; I520-M524 HydrophobicContact CG2-CG 4.27Å; I520-M524 HydrophobicContact CG2-SD 3.61Å; I520-M524 VanDerWaalsContact O-CB 3.28Å; I520-M524 WeakPolarHBondContact O-CB 3.21Å; I520-M524 VanDerWaalsContact O-CG 3.26Å; I520-M524 WeakPolarHBondContact O-CG 3.31Å; I520-M524 PolarHBondContact O-N 2.97Å; I520-P537 HydrophobicContact CB-CG 4.36Å; I520-P537 HydrophobicContact CG1-CG 3.84Å; I520-F538 HydrophobicContact CD1-CE2 4.12Å; I520-F538 HydrophobicContact CD1-CZ 4.28Å; I520-F538 HydrophobicContact CG1-CE2 3.94Å; I520-F538 HydrophobicContact CG1-CZ 3.81Å |
| 521 | M | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.3 | -52.4 | 178.1 | -75.2 | -166.9 | -63 | 0 | 0 | 112.4 | L389 A390 A393 M417 I420 A517 R518 H525 | L389-M521 HydrophobicContact CB-CB 3.92Å; L389-M521 HydrophobicContact CB-CG 4Å; L389-M521 HydrophobicContact CB-SD 3.87Å; A390-M521 HydrophobicContact CB-SD 4.12Å; A393-M521 HydrophobicContact CB-CG 3.97Å; M417-M521 HydrophobicContact CE-CG 3.84Å; M417-M521 HydrophobicContact CE-SD 3.94Å; I420-M521 HydrophobicContact CD1-CE 3.91Å; I420-M521 HydrophobicContact CD1-SD 3.99Å; A517-M521 WeakPolarHBondContact O-CG 3.34Å; A517-M521 PolarHBondContact O-N 3.47Å; R518-M521 HydrophobicContact CB-CE 4.41Å; R518-M521 HydrophobicContact CG-CE 4.07Å; M521-H525 WeakPolarHBondContact O-CB 3.05Å; M521-H525 PolarHBondContact O-N 3.46Å |
| 522 | M | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.5 | -47.4 | -175.6 | -70.1 | -65.3 | -179.2 | 0 | 0 | 111.6 | V156 L160 V384 W423 F477 A480 L481 R518 M519 I520 M524 H525 F526 | V156-M522 HydrophobicContact CG1-SD 4.27Å; L160-M522 HydrophobicContact CD1-CE 3.98Å; L160-M522 HydrophobicContact CD1-SD 4.07Å; V384-M522 HydrophobicContact CG1-CE 4.43Å; V384-M522 HydrophobicContact CG2-CE 4.34Å; W423-M522 HydrophobicContact CE3-CE 4.19Å; W423-M522 HydrophobicContact CH2-CE 4.4Å; W423-M522 HydrophobicContact CZ3-CE 3.52Å; F477-M522 HydrophobicContact CD2-CE 4.14Å; F477-M522 HydrophobicContact CE2-CE 3.88Å; A480-M522 HydrophobicContact CB-CB 4.45Å; A480-M522 HydrophobicContact CB-CG 3.95Å; L481-M522 HydrophobicContact CD2-CB 3.98Å; L481-M522 HydrophobicContact CD2-CG 4.15Å; R518-M522 WeakPolarHBondContact O-CB 3.35Å; R518-M522 VanDerWaalsContact O-CG 3.28Å; R518-M522 WeakPolarHBondContact O-CG 3.43Å; R518-M522 PolarHBondContact O-N 3.22Å; M519-M522 PolarHBondContact O-N 3.37Å; I520-M522 PolarHBondContact O-N 2.78Å; M522-M524 PolarHBondContact O-N 2.85Å; M522-H525 PolarHBondContact O-N 2.53Å; M522-F526 WeakPolarHBondContact O-CD2 3.26Å; M522-F526 PolarHBondContact O-N 2.85Å; M522-F526 VanDerWaalsContact O-N 3.07Å; M522-F526 HydrophobicContact SD-CE2 3.95Å |
| 523 | T | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | -178 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | T483 F484 H500 M519 H525 F526 I527 P537 | T483-T523 PolarHBondContact OG1-OG1 3.18Å; F484-T523 HydrophobicContact CD1-CG2 4.14Å; F484-T523 WeakPolarHBondContact CD1-OG1 3.41Å; F484-T523 WeakPolarHBondContact CE1-OG1 3.39Å; H500-T523 WeakPolarHBondContact CE1-CG2 3.35Å; M519-T523 VanDerWaalsContact O-CB 3.22Å; M519-T523 WeakPolarHBondContact O-CB 3.17Å; M519-T523 PolarHBondContact O-N 3.24Å; M519-T523 PolarHBondContact O-OG1 2.86Å; T523-H525 PolarHBondContact O-N 3.5Å; T523-F526 PolarHBondContact O-N 2.77Å; T523-I527 HydrophobicContact CG2-CB 4.39Å; T523-I527 HydrophobicContact CG2-CG1 4.35Å; T523-I527 PolarHBondContact O-N 2.63Å; T523-P537 HydrophobicContact CG2-CB 3.88Å |
| 524 | M | 98.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -29.7 | 178.8 | -71.1 | -172.8 | 75.6 | 0 | 0 | 112.9 | P392 A396 I520 M522 P534 Q535 V536 | P392-M524 HydrophobicContact CB-CE 4.04Å; P392-M524 WeakPolarHBondContact O-CE 3.25Å; A396-M524 HydrophobicContact CB-CE 3.78Å; A396-M524 HydrophobicContact CB-SD 3.72Å; I520-M524 HydrophobicContact CG2-CG 4.27Å; I520-M524 HydrophobicContact CG2-SD 3.61Å; I520-M524 VanDerWaalsContact O-CB 3.28Å; I520-M524 WeakPolarHBondContact O-CB 3.21Å; I520-M524 VanDerWaalsContact O-CG 3.26Å; I520-M524 WeakPolarHBondContact O-CG 3.31Å; I520-M524 PolarHBondContact O-N 2.97Å; M522-M524 PolarHBondContact O-N 2.85Å; M524-P534 HydrophobicContact CB-CB 4.03Å; M524-P534 HydrophobicContact CE-CB 3.83Å; M524-P534 VanDerWaalsContact O-CB 3.29Å; M524-P534 WeakPolarHBondContact O-CB 3.34Å; M524-Q535 WeakPolarHBondContact CA-O 3.19Å; M524-Q535 VanDerWaalsContact CG-O 3.29Å; M524-Q535 WeakPolarHBondContact CG-O 3.44Å; M524-V536 HydrophobicContact SD-CG1 4.39Å |
| 525 | H | 98 | Very high | 96.3 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 17% | 0.167 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.6 | -42.5 | 176 | -172.5 | 70 | 0 | 0 | 0 | 112.8 | L160 E163 L165 L389 M521 M522 T523 K528 | L160-H525 WeakPolarHBondContact CD2-NE2 3.45Å; E163-H525 IonicContact OE1-NE2 2.73Å; E163-H525 IonicContact OE2-CD2 3.73Å; E163-H525 IonicContact OE2-CE1 3.96Å; E163-H525 PolarHBondContact OE2-CE1 2.84Å; E163-H525 VanDerWaalsContact OE2-CE1 3.26Å; E163-H525 IonicContact OE2-NE2 2.89Å; E163-H525 PolarHBondContact OE2-NE2 2.81Å; L165-H525 VanDerWaalsContact CD1-CE1 3.46Å; L165-H525 WeakPolarHBondContact CD1-CE1 3.4Å; L389-H525 HydrophobicContact CD2-CB 3.87Å; L389-H525 WeakPolarHBondContact CD2-ND1 3.39Å; M521-H525 WeakPolarHBondContact O-CB 3.05Å; M521-H525 PolarHBondContact O-N 3.46Å; M522-H525 PolarHBondContact O-N 2.53Å; T523-H525 PolarHBondContact O-N 3.5Å; H525-K528 WeakPolarHBondContact O-CE 3.3Å |
| 526 | F | 97.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -93 | -29.2 | -172.4 | -74.4 | -64.9 | 0 | 0 | 0 | 115.5 | V156 R159 L160 F484 W489 M522 T523 | V156-F526 HydrophobicContact CB-CE2 3.92Å; V156-F526 HydrophobicContact CB-CZ 3.8Å; V156-F526 HydrophobicContact CG1-CD2 4.47Å; V156-F526 HydrophobicContact CG1-CE2 3.44Å; V156-F526 VanDerWaalsContact CG1-CE2 3.44Å; V156-F526 HydrophobicContact CG1-CZ 3.57Å; V156-F526 HydrophobicContact CG2-CD2 3.87Å; V156-F526 HydrophobicContact CG2-CE1 4.22Å; V156-F526 HydrophobicContact CG2-CE2 3.53Å; V156-F526 HydrophobicContact CG2-CG 4.36Å; V156-F526 HydrophobicContact CG2-CZ 3.68Å; R159-F526 HydrophobicContact CB-CE1 3.81Å; R159-F526 HydrophobicContact CB-CZ 4.44Å; R159-F526 HydrophobicContact CG-CE1 4.46Å; L160-F526 HydrophobicContact CD1-CE2 4.3Å; L160-F526 HydrophobicContact CD1-CZ 4.15Å; L160-F526 HydrophobicContact CD2-CE2 4.36Å; L160-F526 HydrophobicContact CD2-CZ 3.95Å; L160-F526 HydrophobicContact CG-CE2 4.3Å; L160-F526 HydrophobicContact CG-CZ 3.73Å; F484-F526 HydrophobicContact CE2-CB 4.43Å; F484-F526 HydrophobicContact CZ-CB 4.5Å; F484-F526 HydrophobicContact CZ-CD2 4.43Å; W489-F526 HydrophobicContact CH2-CD1 4.18Å; W489-F526 HydrophobicContact CH2-CG 4.42Å; W489-F526 HydrophobicContact CZ2-CB 4.03Å; W489-F526 AromaticContact CZ2-CD1 3.88Å; W489-F526 HydrophobicContact CZ2-CD1 3.88Å; W489-F526 HydrophobicContact CZ2-CG 4.08Å; M522-F526 WeakPolarHBondContact O-CD2 3.26Å; M522-F526 PolarHBondContact O-N 2.85Å; M522-F526 VanDerWaalsContact O-N 3.07Å; M522-F526 HydrophobicContact SD-CE2 3.95Å; T523-F526 PolarHBondContact O-N 2.77Å |
| 527 | I | 97.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | trans | -107.6 | 115.1 | -177.9 | -51.5 | -148.5 | 0 | 0 | 0 | 109 | F484 L496 H500 T523 Q535 | F484-I527 HydrophobicContact CB-CD1 3.42Å; F484-I527 VanDerWaalsContact CB-CD1 3.42Å; F484-I527 HydrophobicContact CD2-CD1 3.84Å; F484-I527 HydrophobicContact CD2-CG1 4.28Å; F484-I527 HydrophobicContact CG-CD1 3.72Å; F484-I527 HydrophobicContact CG-CG1 4.35Å; L496-I527 HydrophobicContact CD1-CD1 3.99Å; H500-I527 WeakPolarHBondContact NE2-CG2 3.43Å; T523-I527 HydrophobicContact CG2-CB 4.39Å; T523-I527 HydrophobicContact CG2-CG1 4.35Å; T523-I527 PolarHBondContact O-N 2.63Å; I527-Q535 HydrophobicContact CG2-CB 4.14Å; I527-Q535 HydrophobicContact CG2-CG 4.35Å; I527-Q535 PolarHBondContact O-N 3.18Å | ||
| 528 | K | 95.6 | Very high | 96.6 | Very high | 103 Ų | 103 | 42.8 Ų | 42.8 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -129.1 | 146.9 | -177.9 | -65.2 | 173.6 | 179.7 | 166.6 | 0 | 108.6 | H525 K533 | H525-K528 WeakPolarHBondContact O-CE 3.3Å; K528-K533 CarbonylContact C-O 3.6Å; K528-K533 WeakPolarHBondContact CA-O 3.05Å |
| 529 | D | 91.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | trans | -69.5 | 178.6 | 169.2 | 73.7 | 9.4 | 0 | 0 | 0 | 112 | N531 G532 K533 | D529-N531 PolarHBondContact O-N 3.25Å; D529-N531 VanDerWaalsContact O-N 3.11Å; D529-N531 WeakPolarHBondContact OD1-CA 3.21Å; D529-N531 WeakPolarHBondContact OD1-CB 3.11Å; D529-N531 PolarHBondContact OD1-N 3.04Å; D529-G532 PolarHBondContact O-N 2.69Å; D529-G532 PolarHBondContact OD1-N 3.17Å; D529-G532 VanDerWaalsContact OD1-N 3.09Å; D529-K533 PolarHBondContact N-O 3.3Å; D529-K533 WeakPolarHBondContact OD1-CB 3.45Å; D529-K533 PolarHBondContact OD1-N 2.87Å; D529-K533 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 530 | E | 90.6 | Very high | 96.8 | Very high | 200 Ų | 200 | 47.6 Ų | 47.6 | 94% | 0.935 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.4 | -179.7 | -57.9 | -178.8 | 175 | 0 | 0 | 113.5 | ||
| 531 | N | 94.3 | Very high | 96.8 | Very high | 150 Ų | 150 | 47.6 Ų | 47.6 | 80% | 0.802 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.2 | 177.3 | -58.8 | -57.7 | 0 | 0 | 0 | 112.8 | D529 K533 | D529-N531 PolarHBondContact O-N 3.25Å; D529-N531 VanDerWaalsContact O-N 3.11Å; D529-N531 WeakPolarHBondContact OD1-CA 3.21Å; D529-N531 WeakPolarHBondContact OD1-CB 3.11Å; D529-N531 PolarHBondContact OD1-N 3.04Å; N531-K533 VanDerWaalsContact C-N 3.35Å |
| 532 | G | 93.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 80.6 | 9.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D529 | D529-G532 PolarHBondContact O-N 2.69Å; D529-G532 PolarHBondContact OD1-N 3.17Å; D529-G532 VanDerWaalsContact OD1-N 3.09Å |
| 533 | K | 95 | Very high | 96.7 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | trans | -74.9 | 129 | 177.1 | -173.1 | -173.7 | 172.7 | -173.7 | 0 | 109.8 | K528 D529 N531 | K528-K533 CarbonylContact C-O 3.6Å; K528-K533 WeakPolarHBondContact CA-O 3.05Å; D529-K533 PolarHBondContact N-O 3.3Å; D529-K533 WeakPolarHBondContact OD1-CB 3.45Å; D529-K533 PolarHBondContact OD1-N 2.87Å; D529-K533 WeakPolarHBondContact OD2-CB 3.27Å; N531-K533 VanDerWaalsContact C-N 3.35Å | ||
| 534 | P | 97 | Very high | 96.5 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 32% | 0.318 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -52.3 | 139.6 | 172.7 | -31.6 | 39.1 | 0 | 0 | 0 | 113.8 | M524 | M524-P534 HydrophobicContact CB-CB 4.03Å; M524-P534 HydrophobicContact CE-CB 3.83Å; M524-P534 VanDerWaalsContact O-CB 3.29Å; M524-P534 WeakPolarHBondContact O-CB 3.34Å |
| 535 | Q | 97.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | trans | -106.7 | 141.8 | 172.3 | -60.7 | -173.2 | 22.9 | 0 | 0 | 111 | H500 M524 I527 | H500-Q535 PolarHBondContact CD2-OE1 2.9Å; H500-Q535 VanDerWaalsContact CD2-OE1 3.23Å; H500-Q535 PolarHBondContact NE2-OE1 3.21Å; M524-Q535 WeakPolarHBondContact CA-O 3.19Å; M524-Q535 VanDerWaalsContact CG-O 3.29Å; M524-Q535 WeakPolarHBondContact CG-O 3.44Å; I527-Q535 HydrophobicContact CG2-CB 4.14Å; I527-Q535 HydrophobicContact CG2-CG 4.35Å; I527-Q535 PolarHBondContact O-N 3.18Å | ||
| 536 | V | 98.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | trans | -75.7 | 152.7 | 178.5 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | A396 D401 I402 H500 P501 M524 | A396-V536 HydrophobicContact CB-CG1 4.05Å; D401-V536 HydrophobicContact CB-CG1 4.01Å; I402-V536 HydrophobicContact CD1-CB 3.97Å; I402-V536 HydrophobicContact CD1-CG1 3.88Å; I402-V536 HydrophobicContact CG1-CB 3.9Å; I402-V536 HydrophobicContact CG1-CG1 3.68Å; H500-V536 PolarHBondContact CE1-O 3.3Å; P501-V536 HydrophobicContact CB-CG2 4.15Å; P501-V536 VanDerWaalsContact CB-O 3.23Å; P501-V536 WeakPolarHBondContact CB-O 3.07Å; M524-V536 HydrophobicContact SD-CG1 4.39Å | ||
| 537 | P | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -72 | -32.2 | 174.4 | 28.3 | -36.1 | 0 | 0 | 0 | 113.9 | T483 T502 I520 T523 | T483-P537 HydrophobicContact CG2-CB 4.02Å; T502-P537 PolarHBondContact N-O 2.95Å; T502-P537 PolarHBondContact OG1-O 3.22Å; I520-P537 HydrophobicContact CB-CG 4.36Å; I520-P537 HydrophobicContact CG1-CG 3.84Å; T523-P537 HydrophobicContact CG2-CB 3.88Å |
| 538 | F | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 154.7 | -177.8 | 32.1 | -99.6 | 0 | 0 | 0 | 110.8 | I402 T483 T502 M505 I516 M519 I520 V541 | I402-F538 HydrophobicContact CD1-CE2 4.47Å; I402-F538 HydrophobicContact CG2-CD2 4.09Å; I402-F538 HydrophobicContact CG2-CE2 4.06Å; T483-F538 HydrophobicContact CG2-CD1 4.08Å; T483-F538 HydrophobicContact CG2-CE1 4.27Å; T502-F538 WeakPolarHBondContact O-CA 3.5Å; T502-F538 WeakPolarHBondContact OG1-CB 3.41Å; M505-F538 HydrophobicContact CB-CB 4.3Å; M505-F538 HydrophobicContact CB-CD1 3.59Å; M505-F538 HydrophobicContact CB-CD2 4.14Å; M505-F538 HydrophobicContact CB-CE1 3.9Å; M505-F538 HydrophobicContact CB-CE2 4.43Å; M505-F538 HydrophobicContact CB-CG 3.72Å; M505-F538 HydrophobicContact CB-CZ 4.31Å; M505-F538 HydrophobicContact CE-CD1 3.9Å; M505-F538 HydrophobicContact CE-CE1 3.92Å; M505-F538 HydrophobicContact CG-CD1 4.14Å; M505-F538 HydrophobicContact CG-CE1 3.97Å; M505-F538 HydrophobicContact CG-CZ 4.36Å; I516-F538 HydrophobicContact CD1-CZ 4.49Å; I516-F538 HydrophobicContact CG2-CE2 4.12Å; I516-F538 HydrophobicContact CG2-CZ 3.8Å; M519-F538 HydrophobicContact CB-CE1 4.22Å; M519-F538 HydrophobicContact CE-CE1 3.97Å; M519-F538 HydrophobicContact CE-CZ 4.44Å; M519-F538 HydrophobicContact SD-CE1 4.3Å; I520-F538 HydrophobicContact CD1-CE2 4.12Å; I520-F538 HydrophobicContact CD1-CZ 4.28Å; I520-F538 HydrophobicContact CG1-CE2 3.94Å; I520-F538 HydrophobicContact CG1-CZ 3.81Å; F538-V541 HydrophobicContact CD2-CG2 3.55Å; F538-V541 HydrophobicContact CE2-CG2 3.27Å; F538-V541 HydrophobicContact CZ-CG2 4.25Å |
| 539 | H | 98.5 | Very high | 94.9 | Very high | 90 Ų | 90 | 43.9 Ų | 43.9 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -36.7 | 174.8 | -63.9 | -56.8 | 0 | 0 | 0 | 113.7 | I402 Q403 P501 T502 S503 | I402-H539 WeakPolarHBondContact CA-O 3.33Å; Q403-H539 PolarHBondContact N-O 2.96Å; P501-H539 VanDerWaalsContact CG-NE2 3.28Å; P501-H539 WeakPolarHBondContact CG-NE2 3.28Å; T502-H539 PolarHBondContact O-N 2.86Å; S503-H539 PolarHBondContact O-N 3.28Å |
| 540 | T | 98.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 135.7 | -177.3 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | Q403 V405 S503 V504 M505 F695 | Q403-T540 CarbonylContact O-C 3.59Å; Q403-T540 WeakPolarHBondContact O-CA 3.46Å; V405-T540 HydrophobicContact CG2-CG2 3.8Å; S503-T540 PolarHBondContact O-N 3.45Å; S503-T540 VanDerWaalsContact O-N 3.08Å; V504-T540 CarbonylContact C-O 3.59Å; V504-T540 WeakPolarHBondContact CA-O 3.36Å; M505-T540 PolarHBondContact N-O 3.34Å; T540-F695 HydrophobicContact CG2-CE1 4.3Å; T540-F695 HydrophobicContact CG2-CE2 4.05Å; T540-F695 HydrophobicContact CG2-CZ 3.73Å |
| 541 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 104 | 170.1 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | I402 Q403 F404 V405 M505 I516 F538 M543 | I402-V541 HydrophobicContact CG2-CG2 3.76Å; Q403-V541 PolarHBondContact O-N 3.46Å; F404-V541 CarbonylContact C-O 3.51Å; F404-V541 WeakPolarHBondContact CA-O 3.44Å; F404-V541 HydrophobicContact CD1-CB 3.78Å; F404-V541 HydrophobicContact CD1-CG1 3.94Å; F404-V541 HydrophobicContact CD1-CG2 4.43Å; F404-V541 HydrophobicContact CE1-CB 3.88Å; F404-V541 HydrophobicContact CE1-CG1 3.76Å; F404-V541 HydrophobicContact CE1-CG2 4.17Å; F404-V541 HydrophobicContact CE2-CG2 4.27Å; F404-V541 HydrophobicContact CG-CB 4.12Å; F404-V541 HydrophobicContact CZ-CB 4.29Å; F404-V541 HydrophobicContact CZ-CG1 4.43Å; F404-V541 HydrophobicContact CZ-CG2 4.09Å; V405-V541 PolarHBondContact N-O 3.21Å; M505-V541 CarbonylContact O-C 3.55Å; M505-V541 WeakPolarHBondContact O-CA 3.33Å; I516-V541 HydrophobicContact CD1-CG1 4.16Å; I516-V541 HydrophobicContact CG1-CG1 4.48Å; I516-V541 HydrophobicContact CG2-CG1 4.14Å; I516-V541 HydrophobicContact CG2-CG2 4.17Å; F538-V541 HydrophobicContact CD2-CG2 3.55Å; F538-V541 HydrophobicContact CE2-CG2 3.27Å; F538-V541 HydrophobicContact CZ-CG2 4.25Å; V541-M543 HydrophobicContact CG1-CG 4.34Å; V541-M543 HydrophobicContact CG1-SD 3.44Å; V541-M543 WeakPolarHBondContact CG1-SD 3.35Å |
| 542 | Y | 97.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 115.7 | 175.3 | 176.3 | -100.2 | 0 | 0 | 0 | 110.4 | I58 V405 M505 V506 S507 T544 F695 F697 | I58-Y542 HydrophobicContact CG2-CD1 4.16Å; I58-Y542 HydrophobicContact CG2-CE1 3.72Å; V405-Y542 HydrophobicContact CB-CD2 4.28Å; V405-Y542 HydrophobicContact CG1-CD2 4.07Å; M505-Y542 PolarHBondContact O-N 3.2Å; V506-Y542 WeakPolarHBondContact CA-O 3.26Å; V506-Y542 HydrophobicContact CB-CD1 4.46Å; V506-Y542 HydrophobicContact CG1-CD1 3.99Å; V506-Y542 HydrophobicContact CG2-CD1 4.02Å; S507-Y542 PolarHBondContact N-O 3.4Å; Y542-T544 HydrophobicContact CD1-CG2 4.05Å; Y542-T544 HydrophobicContact CE1-CG2 3.68Å; Y542-F695 HydrophobicContact CD2-CB 3.78Å; Y542-F695 AromaticContact CD2-CD1 3.93Å; Y542-F695 HydrophobicContact CD2-CD1 3.93Å; Y542-F695 HydrophobicContact CD2-CG 4.12Å; Y542-F695 HydrophobicContact CE2-CB 3.85Å; Y542-F695 HydrophobicContact CG-CD1 4.3Å; Y542-F697 HydrophobicContact CD2-CE2 4.49Å; Y542-F697 HydrophobicContact CE1-CE2 4.21Å; Y542-F697 HydrophobicContact CE2-CD2 4.35Å; Y542-F697 AromaticContact CE2-CE2 3.93Å; Y542-F697 HydrophobicContact CE2-CE2 3.93Å; Y542-F697 AromaticContact CZ-CD2 3.96Å; Y542-F697 AromaticContact CZ-CE2 3.77Å |
| 543 | M | 96.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.5 | -173 | -63.7 | -52.4 | -45.5 | 0 | 0 | 111.7 | F404 V405 Y409 S507 G508 F509 I512 V541 | F404-M543 HydrophobicContact CD1-CG 3.86Å; F404-M543 HydrophobicContact CD1-SD 4.11Å; F404-M543 HydrophobicContact CE1-SD 4.2Å; V405-M543 PolarHBondContact O-N 3.27Å; Y409-M543 HydrophobicContact CD2-CB 3.27Å; Y409-M543 HydrophobicContact CD2-CG 3.54Å; Y409-M543 HydrophobicContact CE2-CB 3.39Å; Y409-M543 HydrophobicContact CE2-CG 4.17Å; Y409-M543 HydrophobicContact CG-CB 4Å; Y409-M543 HydrophobicContact CG-CG 3.83Å; S507-M543 WeakPolarHBondContact O-CA 3.38Å; S507-M543 WeakPolarHBondContact O-CE 3.41Å; G508-M543 VanDerWaalsContact O-CE 3.31Å; G508-M543 WeakPolarHBondContact O-CE 3.37Å; F509-M543 HydrophobicContact CB-CE 3.77Å; I512-M543 HydrophobicContact CD1-CE 3.54Å; I512-M543 HydrophobicContact CD1-CG 4.37Å; I512-M543 HydrophobicContact CD1-SD 3.82Å; I512-M543 HydrophobicContact CG1-CE 3.45Å; I512-M543 VanDerWaalsContact CG1-CE 3.45Å; I512-M543 HydrophobicContact CG1-SD 3.88Å; V541-M543 HydrophobicContact CG1-CG 4.34Å; V541-M543 HydrophobicContact CG1-SD 3.44Å; V541-M543 WeakPolarHBondContact CG1-SD 3.35Å |
| 544 | T | 94.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 149.4 | 179.5 | 63 | 0 | 0 | 0 | 0 | 112.6 | F54 Q55 V506 S507 Y542 | F54-T544 HydrophobicContact CD1-CG2 4.22Å; F54-T544 HydrophobicContact CE1-CG2 3.57Å; Q55-T544 HydrophobicContact CG-CG2 4.22Å; V506-T544 HydrophobicContact CG1-CG2 3.89Å; S507-T544 PolarHBondContact O-N 3.25Å; S507-T544 PolarHBondContact O-OG1 3.16Å; Y542-T544 HydrophobicContact CD1-CG2 4.05Å; Y542-T544 HydrophobicContact CE1-CG2 3.68Å |
| 545 | G | 92.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -64 | 169.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G625 R626 | G545-G625 WeakPolarHBondContact CA-O 3.49Å; G545-R626 CarbonylContact C-O 3.56Å; G545-R626 VanDerWaalsContact CA-O 3.26Å; G545-R626 WeakPolarHBondContact CA-O 2.91Å |
| 546 | L | 92.2 | Very high | 91.5 | Very high | 24 Ų | 24 | 31 Ų | 31 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.9 | 176.9 | -62.1 | 178.4 | 0 | 0 | 0 | 110.3 | F509 D510 R548 K554 R626 I628 | F509-L546 HydrophobicContact CD1-CG 4.4Å; F509-L546 HydrophobicContact CE1-CD1 3.96Å; F509-L546 HydrophobicContact CE1-CG 3.7Å; F509-L546 HydrophobicContact CE2-CD1 4.27Å; F509-L546 HydrophobicContact CZ-CD1 3.64Å; F509-L546 HydrophobicContact CZ-CG 3.94Å; D510-L546 HydrophobicContact CB-CD1 4.41Å; L546-R548 PolarHBondContact O-N 3.47Å; L546-K554 HydrophobicContact CD1-CD 4.19Å; L546-R626 PolarHBondContact N-O 3.22Å; L546-I628 PolarHBondContact O-N 3.35Å |
| 547 | I | 91.8 | Very high | 90.3 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.2 | 178.1 | -57.3 | -173.5 | 0 | 0 | 0 | 110.8 | M50 F54 M555 I628 W630 | M50-I547 HydrophobicContact CB-CD1 3.79Å; M50-I547 HydrophobicContact CB-CG2 4.42Å; M50-I547 VanDerWaalsContact O-CD1 3.29Å; M50-I547 WeakPolarHBondContact O-CD1 3.41Å; F54-I547 HydrophobicContact CB-CD1 3.7Å; F54-I547 HydrophobicContact CB-CG1 4.5Å; F54-I547 HydrophobicContact CG-CD1 4.28Å; I547-M555 HydrophobicContact CG2-CE 3.79Å; I547-M555 HydrophobicContact CG2-SD 3.83Å; I547-M555 PolarHBondContact O-N 3.27Å; I547-I628 CarbonylContact C-O 3.59Å; I547-I628 WeakPolarHBondContact CA-O 3.44Å; I547-I628 HydrophobicContact CG1-CB 4.27Å; I547-I628 HydrophobicContact CG1-CG2 4.33Å; I547-W630 HydrophobicContact CG2-CB 4.19Å |
| 548 | R | 91.5 | Very high | 88.9 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 147.5 | 175.6 | -54.5 | -57.1 | -177.1 | 149.7 | -5 | 110.5 | L546 G552 Q553 K554 D627 I628 W630 | L546-R548 PolarHBondContact O-N 3.47Å; R548-G552 WeakPolarHBondContact CD-O 3.35Å; R548-Q553 CarbonylContact C-O 3.59Å; R548-Q553 WeakPolarHBondContact CA-O 3.43Å; R548-K554 VanDerWaalsContact NH1-N 3.13Å; R548-D627 HydrophobicContact CG-CB 4.01Å; R548-D627 IonicContact CZ-OD1 2.93Å; R548-D627 IonicContact NE-OD1 3.25Å; R548-D627 PolarHBondContact NE-OD1 3.33Å; R548-D627 IonicContact NH2-OD1 2.81Å; R548-D627 PolarHBondContact NH2-OD1 3.1Å; R548-I628 PolarHBondContact N-O 3Å; R548-W630 WeakPolarHBondContact O-CB 3.4Å; R548-W630 PolarHBondContact O-N 3.14Å |
| 549 | D | 86.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | trans | -72.4 | -178.8 | 167.9 | 67.6 | 13.1 | 0 | 0 | 0 | 111.7 | E551 G552 Q553 M555 N561 R597 | D549-E551 PolarHBondContact O-N 3.41Å; D549-E551 WeakPolarHBondContact OD1-CA 3.46Å; D549-E551 PolarHBondContact OD1-N 3.26Å; D549-G552 PolarHBondContact O-N 2.97Å; D549-G552 PolarHBondContact OD1-N 3.41Å; D549-G552 VanDerWaalsContact OD1-N 3.15Å; D549-Q553 PolarHBondContact N-O 3.34Å; D549-Q553 WeakPolarHBondContact OD1-CB 3.35Å; D549-Q553 PolarHBondContact OD1-N 3.31Å; D549-M555 HydrophobicContact CB-CE 4.33Å; D549-N561 HydrophobicContact CB-CB 4.23Å; D549-N561 VanDerWaalsContact OD2-CB 3.25Å; D549-N561 WeakPolarHBondContact OD2-CB 3.39Å; D549-N561 PolarHBondContact OD2-ND2 3.27Å; D549-R597 IonicContact OD2-NH1 3.35Å | ||
| 550 | D | 82.1 | Confident | 86.8 | Confident | 88 Ų | 88 | 36.4 Ų | 36.4 | 47% | 0.471 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.4 | 179.3 | 60.5 | -51.2 | 0 | 0 | 0 | 113.9 | Q601 | D550-Q601 VanDerWaalsContact OD1-CD 3.28Å; D550-Q601 PolarHBondContact OD1-NE2 3.41Å |
| 551 | E | 83.6 | Confident | 86.2 | Confident | 97 Ų | 97 | 35.5 Ų | 35.5 | 45% | 0.453 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 4.1 | 172.9 | -62.2 | -177.7 | 167.2 | 0 | 0 | 112.4 | D549 Q553 R597 | D549-E551 PolarHBondContact O-N 3.41Å; D549-E551 WeakPolarHBondContact OD1-CA 3.46Å; D549-E551 PolarHBondContact OD1-N 3.26Å; E551-Q553 VanDerWaalsContact C-N 3.29Å; E551-Q553 HydrophobicContact CB-CG 4.27Å; E551-Q553 PolarHBondContact O-N 2.84Å; E551-Q553 PolarHBondContact OE2-NE2 3.34Å; E551-R597 WeakPolarHBondContact OE1-CD 3.46Å; E551-R597 IonicContact OE2-NH1 3.28Å |
| 552 | G | 85.5 | Confident | 85.7 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 38% | 0.381 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 76.3 | 10.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R548 D549 | R548-G552 WeakPolarHBondContact CD-O 3.35Å; D549-G552 PolarHBondContact O-N 2.97Å; D549-G552 PolarHBondContact OD1-N 3.41Å; D549-G552 VanDerWaalsContact OD1-N 3.15Å |
| 553 | Q | 85.1 | Confident | 85.3 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -87 | 143.4 | -179.3 | -57.2 | -180 | 19.8 | 0 | 0 | 111.3 | R548 D549 E551 M555 | R548-Q553 CarbonylContact C-O 3.59Å; R548-Q553 WeakPolarHBondContact CA-O 3.43Å; D549-Q553 PolarHBondContact N-O 3.34Å; D549-Q553 WeakPolarHBondContact OD1-CB 3.35Å; D549-Q553 PolarHBondContact OD1-N 3.31Å; E551-Q553 VanDerWaalsContact C-N 3.29Å; E551-Q553 HydrophobicContact CB-CG 4.27Å; E551-Q553 PolarHBondContact O-N 2.84Å; E551-Q553 PolarHBondContact OE2-NE2 3.34Å; Q553-M555 PolarHBondContact O-N 2.92Å |
| 554 | K | 85.7 | Confident | 85.2 | Confident | 78 Ų | 78 | 37 Ų | 37 | 34% | 0.339 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -55 | 129.3 | 171.3 | -172.2 | 179.3 | -179.8 | 174.4 | 0 | 108.5 | D510 L546 R548 S556 N561 | D510-K554 IonicContact OD2-NZ 3.69Å; D510-K554 PolarHBondContact OD2-NZ 3.03Å; L546-K554 HydrophobicContact CD1-CD 4.19Å; R548-K554 VanDerWaalsContact NH1-N 3.13Å; K554-S556 PolarHBondContact O-N 3.04Å; K554-N561 PolarHBondContact O-ND2 2.89Å |
| 555 | M | 86 | Confident | 85.3 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 125.4 | 172.6 | -70.7 | -172.1 | 179.8 | 0 | 0 | 110.1 | M50 I547 D549 Q553 N561 V562 I563 W630 | M50-M555 HydrophobicContact CB-SD 4.13Å; M50-M555 HydrophobicContact CG-SD 4.38Å; I547-M555 HydrophobicContact CG2-CE 3.79Å; I547-M555 HydrophobicContact CG2-SD 3.83Å; I547-M555 PolarHBondContact O-N 3.27Å; D549-M555 HydrophobicContact CB-CE 4.33Å; Q553-M555 PolarHBondContact O-N 2.92Å; M555-N561 WeakPolarHBondContact CA-OD1 3.33Å; M555-V562 HydrophobicContact CB-CG2 4.39Å; M555-I563 HydrophobicContact CE-CD1 4Å; M555-I563 HydrophobicContact CE-CG1 4.35Å; M555-W630 HydrophobicContact CE-CB 4.22Å |
| 556 | S | 79.9 | Confident | 85.5 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | trans | -148.7 | 146.6 | 175 | 76.6 | 0 | 0 | 0 | 0 | 111.6 | K554 S558 K559 G560 N561 | K554-S556 PolarHBondContact O-N 3.04Å; S556-S558 PolarHBondContact O-N 3.46Å; S556-S558 PolarHBondContact OG-OG 2.97Å; S556-K559 PolarHBondContact O-N 3.23Å; S556-K559 VanDerWaalsContact O-N 3.14Å; S556-K559 WeakPolarHBondContact OG-CB 3.37Å; S556-K559 VanDerWaalsContact OG-CG 3.32Å; S556-K559 WeakPolarHBondContact OG-CG 3.19Å; S556-K559 PolarHBondContact OG-N 3.25Å; S556-G560 PolarHBondContact O-N 3Å; S556-N561 PolarHBondContact N-OD1 3.31Å; S556-N561 PolarHBondContact O-OD1 3.37Å; S556-N561 VanDerWaalsContact O-OD1 3.09Å | ||
| 557 | K | 73.1 | Confident | 85.7 | Confident | 91 Ų | 91 | 36.8 Ų | 36.8 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -58.7 | -36.6 | 177.2 | -70.2 | -179.1 | 178.2 | 173.9 | 0 | 111.3 | T45 K559 G560 V562 | T45-K557 PolarHBondContact O-NZ 3.08Å; T45-K557 PolarHBondContact OG1-NZ 3.02Å; K557-K559 VanDerWaalsContact C-N 3.29Å; K557-K559 PolarHBondContact O-N 2.9Å; K557-G560 PolarHBondContact O-N 3.39Å; K557-V562 HydrophobicContact CG-CG2 4.29Å |
| 558 | S | 68.4 | Low | 85.9 | Confident | 38 Ų | 38 | 36.2 Ų | 36.2 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -61.9 | -31.5 | 177.6 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | S556 | S556-S558 PolarHBondContact O-N 3.46Å; S556-S558 PolarHBondContact OG-OG 2.97Å |
| 559 | K | 74.7 | Confident | 86.2 | Confident | 83 Ų | 83 | 33.8 Ų | 33.8 | 36% | 0.361 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -90.4 | -5.5 | 179.1 | -70.7 | 178.1 | -179 | -176.1 | 0 | 113.9 | S556 K557 N561 I594 R597 | S556-K559 PolarHBondContact O-N 3.23Å; S556-K559 VanDerWaalsContact O-N 3.14Å; S556-K559 WeakPolarHBondContact OG-CB 3.37Å; S556-K559 VanDerWaalsContact OG-CG 3.32Å; S556-K559 WeakPolarHBondContact OG-CG 3.19Å; S556-K559 PolarHBondContact OG-N 3.25Å; K557-K559 VanDerWaalsContact C-N 3.29Å; K557-K559 PolarHBondContact O-N 2.9Å; K559-N561 PolarHBondContact O-N 2.79Å; K559-N561 VanDerWaalsContact O-N 3.14Å; K559-I594 WeakPolarHBondContact O-CD1 3.49Å; K559-R597 PolarHBondContact O-NH2 3.47Å |
| 560 | G | 78.3 | Confident | 86.6 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 29.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S556 K557 R597 | S556-G560 PolarHBondContact O-N 3Å; K557-G560 PolarHBondContact O-N 3.39Å; G560-R597 PolarHBondContact O-NH2 3.28Å |
| 561 | N | 86.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -106.8 | 1.3 | 175.4 | 63.8 | -11.9 | 0 | 0 | 0 | 112.5 | D549 K554 M555 S556 K559 R581 | D549-N561 HydrophobicContact CB-CB 4.23Å; D549-N561 VanDerWaalsContact OD2-CB 3.25Å; D549-N561 WeakPolarHBondContact OD2-CB 3.39Å; D549-N561 PolarHBondContact OD2-ND2 3.27Å; K554-N561 PolarHBondContact O-ND2 2.89Å; M555-N561 WeakPolarHBondContact CA-OD1 3.33Å; S556-N561 PolarHBondContact N-OD1 3.31Å; S556-N561 PolarHBondContact O-OD1 3.37Å; S556-N561 VanDerWaalsContact O-OD1 3.09Å; K559-N561 PolarHBondContact O-N 2.79Å; K559-N561 VanDerWaalsContact O-N 3.14Å; N561-R581 PolarHBondContact O-NH2 2.72Å; N561-R581 VanDerWaalsContact O-NH2 3.07Å | ||
| 562 | V | 87.2 | Confident | 87.9 | Confident | 29 Ų | 29 | 29.3 Ų | 29.3 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | trans | -61.9 | 142.9 | 172.6 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | H49 M555 K557 R581 | H49-V562 HydrophobicContact CB-CG1 3.5Å; H49-V562 VanDerWaalsContact CB-CG1 3.5Å; M555-V562 HydrophobicContact CB-CG2 4.39Å; K557-V562 HydrophobicContact CG-CG2 4.29Å; V562-R581 PolarHBondContact O-NE 3Å | ||
| 563 | I | 89.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | trans | -122.4 | 129.6 | 175.1 | -60 | 177.4 | 0 | 0 | 0 | 106.8 | H49 M50 M555 M568 R581 F602 | H49-I563 VanDerWaalsContact CA-O 3.31Å; H49-I563 WeakPolarHBondContact CA-O 3.39Å; M50-I563 HydrophobicContact CG-CB 3.8Å; M50-I563 HydrophobicContact CG-CG2 4.07Å; M50-I563 PolarHBondContact N-O 2.94Å; M50-I563 VanDerWaalsContact N-O 3.15Å; M50-I563 HydrophobicContact SD-CG2 4.24Å; M555-I563 HydrophobicContact CE-CD1 4Å; M555-I563 HydrophobicContact CE-CG1 4.35Å; I563-M568 HydrophobicContact CD1-CE 4.11Å; I563-M568 HydrophobicContact CG2-CE 3.44Å; I563-M568 VanDerWaalsContact CG2-CE 3.44Å; I563-M568 HydrophobicContact CG2-CG 4.28Å; I563-R581 VanDerWaalsContact CG1-NH2 3.32Å; I563-F602 HydrophobicContact CD1-CE2 4.37Å; I563-F602 HydrophobicContact CD1-CZ 4.04Å | ||
| 564 | D | 94.1 | Very high | 89.1 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | trans | -74 | 126.1 | 168.7 | -176 | -27 | 0 | 0 | 0 | 108 | Q128 L566 D567 K580 | Q128-D564 PolarHBondContact NE2-OD1 2.72Å; Q128-D564 PolarHBondContact NE2-OD2 2.94Å; D564-L566 PolarHBondContact O-N 2.77Å; D564-L566 VanDerWaalsContact O-N 3.16Å; D564-L566 PolarHBondContact OD1-N 2.89Å; D564-D567 WeakPolarHBondContact CB-OD2 3.28Å; D564-D567 VanDerWaalsContact O-CB 3.32Å; D564-D567 WeakPolarHBondContact O-CB 3.47Å; D564-D567 PolarHBondContact O-N 3.2Å; D564-K580 VanDerWaalsContact CG-NZ 3.26Å; D564-K580 WeakPolarHBondContact OD2-CE 3.23Å; D564-K580 IonicContact OD2-NZ 3.22Å; D564-K580 PolarHBondContact OD2-NZ 3Å | ||
| 565 | P | 96.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -25.2 | -178.5 | 27.9 | -37.7 | 0 | 0 | 0 | 113.3 | M50 A53 L132 D567 M568 V569 L614 | M50-P565 HydrophobicContact SD-CB 3.85Å; A53-P565 HydrophobicContact CB-CB 3.65Å; A53-P565 HydrophobicContact CB-CG 4.02Å; L132-P565 HydrophobicContact CD1-CG 4.14Å; L132-P565 HydrophobicContact CD2-CB 4.11Å; L132-P565 HydrophobicContact CD2-CG 4.48Å; P565-D567 VanDerWaalsContact C-N 3.26Å; P565-D567 PolarHBondContact O-N 3.05Å; P565-M568 WeakPolarHBondContact O-CB 3.3Å; P565-M568 PolarHBondContact O-N 3.05Å; P565-M568 VanDerWaalsContact O-N 3.12Å; P565-V569 PolarHBondContact O-N 2.93Å; P565-L614 HydrophobicContact CB-CD2 4Å |
| 566 | L | 96.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.3 | -25.5 | 176 | -60.2 | -166.1 | 0 | 0 | 0 | 112.9 | Q128 R131 D564 M568 V569 D570 | Q128-L566 HydrophobicContact CB-CD1 4.35Å; Q128-L566 HydrophobicContact CB-CG 4.47Å; Q128-L566 HydrophobicContact CG-CD1 3.75Å; Q128-L566 HydrophobicContact CG-CG 4.04Å; R131-L566 HydrophobicContact CB-CD1 4.13Å; R131-L566 HydrophobicContact CB-CD2 3.47Å; R131-L566 VanDerWaalsContact CB-CD2 3.47Å; R131-L566 HydrophobicContact CB-CG 4.46Å; R131-L566 HydrophobicContact CG-CD1 4.15Å; R131-L566 HydrophobicContact CG-CD2 4.34Å; D564-L566 PolarHBondContact O-N 2.77Å; D564-L566 VanDerWaalsContact O-N 3.16Å; D564-L566 PolarHBondContact OD1-N 2.89Å; L566-M568 PolarHBondContact O-N 2.84Å; L566-V569 PolarHBondContact O-N 3.42Å; L566-V569 VanDerWaalsContact O-N 3.09Å; L566-D570 WeakPolarHBondContact O-CB 3.39Å; L566-D570 PolarHBondContact O-N 3.16Å |
| 567 | D | 96.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -25.1 | 173.6 | -62.3 | -14.1 | 0 | 0 | 0 | 111 | D564 P565 G571 I572 K580 I606 | D564-D567 WeakPolarHBondContact CB-OD2 3.28Å; D564-D567 VanDerWaalsContact O-CB 3.32Å; D564-D567 WeakPolarHBondContact O-CB 3.47Å; D564-D567 PolarHBondContact O-N 3.2Å; P565-D567 VanDerWaalsContact C-N 3.26Å; P565-D567 PolarHBondContact O-N 3.05Å; D567-G571 CarbonylContact O-C 3.54Å; D567-G571 WeakPolarHBondContact O-CA 3.4Å; D567-G571 PolarHBondContact O-N 3.49Å; D567-I572 HydrophobicContact CB-CB 4.28Å; D567-I572 HydrophobicContact CB-CG2 3.7Å; D567-K580 VanDerWaalsContact CG-NZ 3.29Å; D567-K580 IonicContact OD1-NZ 2.71Å; D567-K580 PolarHBondContact OD1-NZ 2.91Å; D567-K580 IonicContact OD2-NZ 3.88Å; D567-K580 PolarHBondContact OD2-NZ 3.45Å; D567-K580 VanDerWaalsContact OD2-NZ 3.15Å; D567-I606 HydrophobicContact CB-CD1 4.14Å; D567-I606 VanDerWaalsContact O-CG2 3.24Å; D567-I606 WeakPolarHBondContact O-CG2 3.47Å |
| 568 | M | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -82.4 | -34 | 173.7 | -62.1 | -65 | 147.4 | 0 | 0 | 112.5 | M50 I563 P565 L566 F602 I606 H609 W630 M632 L635 | M50-M568 HydrophobicContact SD-CG 4.19Å; I563-M568 HydrophobicContact CD1-CE 4.11Å; I563-M568 HydrophobicContact CG2-CE 3.44Å; I563-M568 VanDerWaalsContact CG2-CE 3.44Å; I563-M568 HydrophobicContact CG2-CG 4.28Å; P565-M568 WeakPolarHBondContact O-CB 3.3Å; P565-M568 PolarHBondContact O-N 3.05Å; P565-M568 VanDerWaalsContact O-N 3.12Å; L566-M568 PolarHBondContact O-N 2.84Å; M568-F602 HydrophobicContact CE-CE1 4.3Å; M568-F602 HydrophobicContact CE-CZ 4.19Å; M568-I606 HydrophobicContact CE-CD1 3.33Å; M568-I606 HydrophobicContact CE-CG1 3.95Å; M568-I606 HydrophobicContact CE-CG2 4.06Å; M568-I606 HydrophobicContact SD-CD1 4.45Å; M568-I606 HydrophobicContact SD-CG2 3.75Å; M568-H609 WeakPolarHBondContact O-CB 3.38Å; M568-H609 PolarHBondContact O-N 3.4Å; M568-H609 VanDerWaalsContact O-N 3.11Å; M568-W630 HydrophobicContact CG-CZ2 4.13Å; M568-W630 HydrophobicContact SD-CZ2 4.05Å; M568-M632 HydrophobicContact CE-CE 4.31Å; M568-M632 HydrophobicContact CE-SD 3.8Å; M568-M632 HydrophobicContact SD-CE 3.68Å; M568-M632 HydrophobicContact SD-SD 3.51Å; M568-L635 HydrophobicContact CB-CD2 4.03Å; M568-L635 HydrophobicContact CG-CD2 4.32Å; M568-L635 HydrophobicContact SD-CD2 3.8Å |
| 569 | V | 97.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.3 | -55.5 | -179.9 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | P565 L566 H609 G610 T611 L614 | P565-V569 PolarHBondContact O-N 2.93Å; L566-V569 PolarHBondContact O-N 3.42Å; L566-V569 VanDerWaalsContact O-N 3.09Å; V569-H609 PolarHBondContact O-N 3.16Å; V569-G610 PolarHBondContact O-N 2.82Å; V569-G610 VanDerWaalsContact O-N 3.11Å; V569-T611 VanDerWaalsContact CG1-OG1 3.26Å; V569-T611 WeakPolarHBondContact CG1-OG1 3.41Å; V569-L614 HydrophobicContact CG2-CD2 3.73Å |
| 570 | D | 96.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -17.4 | -172.2 | -68.4 | -36.2 | 0 | 0 | 0 | 113.7 | R131 L566 | R131-D570 IonicContact CZ-OD1 2.71Å; R131-D570 IonicContact CZ-OD2 2.88Å; R131-D570 IonicContact NH1-OD1 3.29Å; R131-D570 PolarHBondContact NH1-OD1 3.45Å; R131-D570 IonicContact NH1-OD2 3.98Å; R131-D570 PolarHBondContact NH1-OD2 2.92Å; R131-D570 IonicContact NH2-OD1 3.17Å; R131-D570 PolarHBondContact NH2-OD1 2.74Å; R131-D570 IonicContact NH2-OD2 3.7Å; R131-D570 PolarHBondContact NH2-OD2 3.49Å; L566-D570 WeakPolarHBondContact O-CB 3.39Å; L566-D570 PolarHBondContact O-N 3.16Å |
| 571 | G | 96 | Very high | 94.1 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | trans | 73.9 | 164.4 | -163 | 0 | 0 | 0 | 0 | 0 | 111.7 | D567 I606 | D567-G571 CarbonylContact O-C 3.54Å; D567-G571 WeakPolarHBondContact O-CA 3.4Å; D567-G571 PolarHBondContact O-N 3.49Å; G571-I606 CarbonylContact C-O 3.51Å; G571-I606 WeakPolarHBondContact CA-O 3.29Å | ||
| 572 | I | 97.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -153.9 | 136.4 | 175.8 | -174.2 | 166.8 | 0 | 0 | 0 | 109.2 | D567 E576 L577 K580 G605 I606 | D567-I572 HydrophobicContact CB-CB 4.28Å; D567-I572 HydrophobicContact CB-CG2 3.7Å; I572-E576 HydrophobicContact CD1-CB 3.94Å; I572-E576 HydrophobicContact CG1-CB 3.68Å; I572-L577 HydrophobicContact CD1-CB 4.14Å; I572-L577 HydrophobicContact CG1-CB 4.15Å; I572-L577 HydrophobicContact CG2-CB 4Å; I572-L577 HydrophobicContact CG2-CD1 4.1Å; I572-L577 HydrophobicContact CG2-CD2 4.38Å; I572-L577 HydrophobicContact CG2-CG 4.37Å; I572-K580 HydrophobicContact CD1-CD 4.12Å; I572-G605 CarbonylContact O-C 3.55Å; I572-G605 WeakPolarHBondContact O-CA 3.42Å; I572-I606 HydrophobicContact CG2-CB 3.98Å; I572-I606 HydrophobicContact CG2-CD1 3.7Å; I572-I606 HydrophobicContact CG2-CG1 4.2Å; I572-I606 PolarHBondContact N-O 3.13Å; I572-I606 PolarHBondContact O-N 2.92Å |
| 573 | S | 97.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 35.8 Ų | 35.8 | 34% | 0.336 | 20% | 0.2 | S | C | . | . | trans | -67.4 | 152.8 | 176.8 | 72.4 | 0 | 0 | 0 | 0 | 110.8 | E576 L577 | S573-E576 WeakPolarHBondContact CB-OE2 3.39Å; S573-E576 PolarHBondContact N-OE2 2.96Å; S573-E576 PolarHBondContact O-N 3.14Å; S573-E576 VanDerWaalsContact OG-CG 3.3Å; S573-E576 WeakPolarHBondContact OG-CG 3.41Å; S573-E576 PolarHBondContact OG-N 2.9Å; S573-E576 PolarHBondContact OG-OE2 3.45Å; S573-L577 WeakPolarHBondContact O-CB 3.37Å; S573-L577 PolarHBondContact O-N 3.06Å | ||
| 574 | L | 97 | Very high | 92.7 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 20% | 0.199 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.8 | -47.2 | 176.3 | 174 | 63.2 | 0 | 0 | 0 | 112.6 | E576 L577 L578 E599 F602 P603 | L574-E576 PolarHBondContact O-N 2.92Å; L574-L577 PolarHBondContact O-N 3.35Å; L574-L578 HydrophobicContact CD1-CD1 3.82Å; L574-L578 HydrophobicContact CD1-CD2 4.02Å; L574-L578 HydrophobicContact CD1-CG 3.68Å; L574-L578 HydrophobicContact CG-CD1 3.94Å; L574-L578 HydrophobicContact CG-CG 4.21Å; L574-L578 VanDerWaalsContact O-CG 3.26Å; L574-L578 WeakPolarHBondContact O-CG 3.27Å; L574-L578 PolarHBondContact O-N 3.26Å; L574-E599 HydrophobicContact CD1-CG 4.28Å; L574-E599 HydrophobicContact CD2-CG 4.45Å; L574-F602 WeakPolarHBondContact CD1-O 3.45Å; L574-P603 WeakPolarHBondContact CD2-O 3.36Å |
| 575 | P | 97 | Very high | 91.6 | Very high | 93 Ų | 93 | 43.9 Ų | 43.9 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -56.4 | -47.2 | 179 | -26.7 | 36.3 | 0 | 0 | 0 | 113.7 | L578 E579 | P575-L578 PolarHBondContact O-N 2.97Å; P575-E579 PolarHBondContact O-N 2.8Å |
| 576 | E | 96.3 | Very high | 90.1 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 179.5 | -67.9 | 165.9 | 142.8 | 0 | 0 | 111.5 | I572 S573 L574 L578 E579 K580 | I572-E576 HydrophobicContact CD1-CB 3.94Å; I572-E576 HydrophobicContact CG1-CB 3.68Å; S573-E576 WeakPolarHBondContact CB-OE2 3.39Å; S573-E576 PolarHBondContact N-OE2 2.96Å; S573-E576 PolarHBondContact O-N 3.14Å; S573-E576 VanDerWaalsContact OG-CG 3.3Å; S573-E576 WeakPolarHBondContact OG-CG 3.41Å; S573-E576 PolarHBondContact OG-N 2.9Å; S573-E576 PolarHBondContact OG-OE2 3.45Å; L574-E576 PolarHBondContact O-N 2.92Å; E576-L578 VanDerWaalsContact C-N 3.33Å; E576-L578 PolarHBondContact O-N 3.19Å; E576-E579 PolarHBondContact O-N 3.42Å; E576-K580 VanDerWaalsContact O-CB 3.29Å; E576-K580 WeakPolarHBondContact O-CB 3.28Å; E576-K580 PolarHBondContact O-N 3.35Å |
| 577 | L | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.1 | 179.9 | 60.3 | 0 | 0 | 0 | 111.7 | I572 S573 L574 K580 R581 T598 F602 I606 | I572-L577 HydrophobicContact CD1-CB 4.14Å; I572-L577 HydrophobicContact CG1-CB 4.15Å; I572-L577 HydrophobicContact CG2-CB 4Å; I572-L577 HydrophobicContact CG2-CD1 4.1Å; I572-L577 HydrophobicContact CG2-CD2 4.38Å; I572-L577 HydrophobicContact CG2-CG 4.37Å; S573-L577 WeakPolarHBondContact O-CB 3.37Å; S573-L577 PolarHBondContact O-N 3.06Å; L574-L577 PolarHBondContact O-N 3.35Å; L577-K580 PolarHBondContact O-N 3.49Å; L577-R581 HydrophobicContact CD1-CG 4.09Å; L577-R581 WeakPolarHBondContact O-CB 3.28Å; L577-R581 WeakPolarHBondContact O-CG 3.39Å; L577-R581 PolarHBondContact O-N 3.1Å; L577-T598 HydrophobicContact CD2-CG2 3.8Å; L577-T598 HydrophobicContact CG-CG2 3.85Å; L577-F602 HydrophobicContact CD2-CB 3.8Å; L577-F602 HydrophobicContact CD2-CD2 3.71Å; L577-F602 HydrophobicContact CD2-CG 3.93Å; L577-I606 HydrophobicContact CD1-CD1 4.28Å; L577-I606 HydrophobicContact CD2-CD1 3.93Å; L577-I606 HydrophobicContact CD2-CG1 4.28Å |
| 578 | L | 93.1 | Very high | 87.8 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 176.5 | -68.3 | 178 | 0 | 0 | 0 | 111.6 | L574 P575 E576 T582 R595 T598 E599 | L574-L578 HydrophobicContact CD1-CD1 3.82Å; L574-L578 HydrophobicContact CD1-CD2 4.02Å; L574-L578 HydrophobicContact CD1-CG 3.68Å; L574-L578 HydrophobicContact CG-CD1 3.94Å; L574-L578 HydrophobicContact CG-CG 4.21Å; L574-L578 VanDerWaalsContact O-CG 3.26Å; L574-L578 WeakPolarHBondContact O-CG 3.27Å; L574-L578 PolarHBondContact O-N 3.26Å; P575-L578 PolarHBondContact O-N 2.97Å; E576-L578 VanDerWaalsContact C-N 3.33Å; E576-L578 PolarHBondContact O-N 3.19Å; L578-T582 WeakPolarHBondContact O-CB 3.25Å; L578-T582 WeakPolarHBondContact O-CG2 3.49Å; L578-T582 PolarHBondContact O-N 3.23Å; L578-T582 PolarHBondContact O-OG1 2.83Å; L578-R595 HydrophobicContact CD1-CG 4.31Å; L578-R595 HydrophobicContact CD2-CG 4.04Å; L578-T598 HydrophobicContact CD2-CG2 3.65Å; L578-E599 HydrophobicContact CD1-CG 3.94Å; L578-E599 HydrophobicContact CD2-CG 4.05Å |
| 579 | E | 92.2 | Very high | 87.1 | Confident | 142 Ų | 142 | 61.1 Ų | 61.1 | 66% | 0.664 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59 | -50.5 | 174.2 | -177.2 | 174.4 | -171.3 | 0 | 0 | 110.8 | P575 E576 R581 T582 G583 | P575-E579 PolarHBondContact O-N 2.8Å; E576-E579 PolarHBondContact O-N 3.42Å; E579-R581 PolarHBondContact O-N 3.02Å; E579-T582 PolarHBondContact O-N 3.4Å; E579-G583 WeakPolarHBondContact O-CA 3.49Å; E579-G583 PolarHBondContact O-N 3.08Å |
| 580 | K | 89.9 | Confident | 86.4 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 39% | 0.391 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | -179.7 | -169.8 | 174.5 | -175.8 | 176.1 | 0 | 113.2 | D564 D567 I572 E576 L577 | D564-K580 VanDerWaalsContact CG-NZ 3.26Å; D564-K580 WeakPolarHBondContact OD2-CE 3.23Å; D564-K580 IonicContact OD2-NZ 3.22Å; D564-K580 PolarHBondContact OD2-NZ 3Å; D567-K580 VanDerWaalsContact CG-NZ 3.29Å; D567-K580 IonicContact OD1-NZ 2.71Å; D567-K580 PolarHBondContact OD1-NZ 2.91Å; D567-K580 IonicContact OD2-NZ 3.88Å; D567-K580 PolarHBondContact OD2-NZ 3.45Å; D567-K580 VanDerWaalsContact OD2-NZ 3.15Å; I572-K580 HydrophobicContact CD1-CD 4.12Å; E576-K580 VanDerWaalsContact O-CB 3.29Å; E576-K580 WeakPolarHBondContact O-CB 3.28Å; E576-K580 PolarHBondContact O-N 3.35Å; L577-K580 PolarHBondContact O-N 3.49Å |
| 581 | R | 87.8 | Confident | 86 | Confident | 16 Ų | 16 | 62 Ų | 62 | 6% | 0.06 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.1 | -20.3 | 180 | -75.3 | -173 | 133.8 | -170 | 1.5 | 114.3 | N561 V562 I563 L577 E579 I594 T598 | N561-R581 PolarHBondContact O-NH2 2.72Å; N561-R581 VanDerWaalsContact O-NH2 3.07Å; V562-R581 PolarHBondContact O-NE 3Å; I563-R581 VanDerWaalsContact CG1-NH2 3.32Å; L577-R581 HydrophobicContact CD1-CG 4.09Å; L577-R581 WeakPolarHBondContact O-CB 3.28Å; L577-R581 WeakPolarHBondContact O-CG 3.39Å; L577-R581 PolarHBondContact O-N 3.1Å; E579-R581 PolarHBondContact O-N 3.02Å; R581-I594 HydrophobicContact CB-CG2 4.23Å; R581-T598 WeakPolarHBondContact CD-OG1 3.41Å; R581-T598 PolarHBondContact NH1-OG1 2.95Å; R581-T598 VanDerWaalsContact NH1-OG1 3.12Å |
| 582 | T | 86.5 | Confident | 85.7 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.153 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -108.8 | -7 | 179.3 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | L578 E579 M585 A591 I594 R595 | L578-T582 WeakPolarHBondContact O-CB 3.25Å; L578-T582 WeakPolarHBondContact O-CG2 3.49Å; L578-T582 PolarHBondContact O-N 3.23Å; L578-T582 PolarHBondContact O-OG1 2.83Å; E579-T582 PolarHBondContact O-N 3.4Å; T582-M585 HydrophobicContact CG2-SD 4.47Å; T582-M585 WeakPolarHBondContact O-CG 3.39Å; T582-A591 HydrophobicContact CG2-CB 4.45Å; T582-I594 HydrophobicContact CG2-CG2 4.09Å; T582-R595 HydrophobicContact CG2-CB 4.39Å; T582-R595 PolarHBondContact OG1-NH2 3.46Å |
| 583 | G | 77.9 | Confident | 85.4 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 143.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E579 M585 | E579-G583 WeakPolarHBondContact O-CA 3.49Å; E579-G583 PolarHBondContact O-N 3.08Å; G583-M585 PolarHBondContact O-N 2.86Å |
| 584 | N | 70.1 | Confident | 85 | Confident | 166 Ų | 166 | 70.6 Ų | 70.6 | 89% | 0.888 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 34.9 | 171.3 | -64 | -20.3 | 0 | 0 | 0 | 115.4 | ||
| 585 | M | 70.1 | Confident | 84.8 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | trans | -69 | 146.6 | -176.6 | -67.5 | 176.6 | 58.3 | 0 | 0 | 113.5 | T582 G583 Q587 L590 A591 I594 | T582-M585 HydrophobicContact CG2-SD 4.47Å; T582-M585 WeakPolarHBondContact O-CG 3.39Å; G583-M585 PolarHBondContact O-N 2.86Å; M585-Q587 VanDerWaalsContact C-N 3.31Å; M585-Q587 VanDerWaalsContact CE-O 3.3Å; M585-Q587 WeakPolarHBondContact CE-O 3.34Å; M585-Q587 PolarHBondContact O-N 3.08Å; M585-L590 HydrophobicContact CE-CB 3.95Å; M585-A591 HydrophobicContact SD-CB 3.83Å; M585-I594 HydrophobicContact CE-CD1 3.18Å; M585-I594 HydrophobicContact SD-CD1 4.25Å | ||
| 586 | M | 64.8 | Low | 84.6 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 38% | 0.384 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -65.5 | -32.3 | 168.8 | -79.2 | -177.6 | 62.8 | 0 | 0 | 113.3 | R92 | R92-M586 VanDerWaalsContact NH1-CG 3.26Š|
| 587 | Q | 71.3 | Confident | 84.3 | Confident | 78 Ų | 78 | 71.9 Ų | 71.9 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | trans | -126.9 | 79.1 | -178.5 | -64 | -174.8 | 22.5 | 0 | 0 | 110.2 | M585 Q589 L590 | M585-Q587 VanDerWaalsContact C-N 3.31Å; M585-Q587 VanDerWaalsContact CE-O 3.3Å; M585-Q587 WeakPolarHBondContact CE-O 3.34Å; M585-Q587 PolarHBondContact O-N 3.08Å; Q587-Q589 PolarHBondContact O-N 2.97Å; Q587-L590 HydrophobicContact CB-CD1 4.01Å; Q587-L590 HydrophobicContact CB-CG 4.06Å; Q587-L590 WeakPolarHBondContact O-CB 3.29Å; Q587-L590 PolarHBondContact O-N 3.31Å | ||
| 588 | P | 73.9 | Confident | 84.2 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -53.4 | -30.6 | -175.6 | -27.1 | 35.3 | 0 | 0 | 0 | 114.2 | L590 A591 | P588-L590 PolarHBondContact O-N 3.11Å; P588-L590 VanDerWaalsContact O-N 3.1Å; P588-A591 WeakPolarHBondContact O-CB 3.45Å; P588-A591 PolarHBondContact O-N 2.66Å |
| 589 | Q | 80.7 | Confident | 84.3 | Confident | 145 Ų | 145 | 75.1 Ų | 75.1 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -60.1 | -17.9 | 175.4 | 63.3 | -87.4 | 20.4 | 0 | 0 | 114.6 | Q587 | Q587-Q589 PolarHBondContact O-N 2.97Š|
| 590 | L | 83.8 | Confident | 84.3 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -88.3 | -5.5 | 176.1 | -63.3 | -175.6 | 0 | 0 | 0 | 113.3 | M585 Q587 P588 D592 K593 I594 | M585-L590 HydrophobicContact CE-CB 3.95Å; Q587-L590 HydrophobicContact CB-CD1 4.01Å; Q587-L590 HydrophobicContact CB-CG 4.06Å; Q587-L590 WeakPolarHBondContact O-CB 3.29Å; Q587-L590 PolarHBondContact O-N 3.31Å; P588-L590 PolarHBondContact O-N 3.11Å; P588-L590 VanDerWaalsContact O-N 3.1Å; L590-D592 PolarHBondContact O-N 3.16Å; L590-K593 WeakPolarHBondContact O-CB 3.37Å; L590-K593 PolarHBondContact O-N 2.92Å; L590-K593 VanDerWaalsContact O-N 3.09Å; L590-I594 HydrophobicContact CB-CD1 3.87Å; L590-I594 PolarHBondContact O-N 2.89Å |
| 591 | A | 87.3 | Confident | 84.3 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 20% | 0.198 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.2 | -46.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T582 M585 P588 K593 I594 R595 | T582-A591 HydrophobicContact CG2-CB 4.45Å; M585-A591 HydrophobicContact SD-CB 3.83Å; P588-A591 WeakPolarHBondContact O-CB 3.45Å; P588-A591 PolarHBondContact O-N 2.66Å; A591-K593 VanDerWaalsContact C-N 3.33Å; A591-K593 PolarHBondContact O-N 3.06Å; A591-I594 PolarHBondContact O-N 3.25Å; A591-R595 WeakPolarHBondContact O-CB 3.47Å; A591-R595 PolarHBondContact O-N 3.01Å |
| 592 | D | 90.7 | Very high | 84.6 | Confident | 116 Ų | 116 | 74.1 Ų | 74.1 | 62% | 0.62 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | 179.1 | -73.9 | -18.9 | 0 | 0 | 0 | 112.8 | L590 K596 | L590-D592 PolarHBondContact O-N 3.16Å; D592-K596 WeakPolarHBondContact O-CG 3.02Å; D592-K596 PolarHBondContact O-N 3.24Å; D592-K596 VanDerWaalsContact O-N 3.13Å |
| 593 | K | 90 | Very high | 85 | Confident | 148 Ų | 148 | 76.8 Ų | 76.8 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.6 | -43.7 | 176.7 | -176.2 | -178.9 | 177.1 | -177.2 | 0 | 110.5 | L590 A591 R597 | L590-K593 WeakPolarHBondContact O-CB 3.37Å; L590-K593 PolarHBondContact O-N 2.92Å; L590-K593 VanDerWaalsContact O-N 3.09Å; A591-K593 VanDerWaalsContact C-N 3.33Å; A591-K593 PolarHBondContact O-N 3.06Å; K593-R597 WeakPolarHBondContact O-CB 3.15Å; K593-R597 PolarHBondContact O-N 3.49Å |
| 594 | I | 89.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | 178.9 | -75.7 | 154.3 | 0 | 0 | 0 | 111.5 | K559 R581 T582 M585 L590 A591 R597 T598 | K559-I594 WeakPolarHBondContact O-CD1 3.49Å; R581-I594 HydrophobicContact CB-CG2 4.23Å; T582-I594 HydrophobicContact CG2-CG2 4.09Å; M585-I594 HydrophobicContact CE-CD1 3.18Å; M585-I594 HydrophobicContact SD-CD1 4.25Å; L590-I594 HydrophobicContact CB-CD1 3.87Å; L590-I594 PolarHBondContact O-N 2.89Å; A591-I594 PolarHBondContact O-N 3.25Å; I594-R597 PolarHBondContact O-N 3.32Å; I594-T598 VanDerWaalsContact O-CB 3.31Å; I594-T598 WeakPolarHBondContact O-CB 3.17Å; I594-T598 PolarHBondContact O-N 3.29Å; I594-T598 PolarHBondContact O-OG1 3.43Å |
| 595 | R | 92.6 | Very high | 87 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.4 | -56.5 | 174.1 | -179.4 | 177.5 | -62.5 | -81 | -4.6 | 110.8 | L578 T582 A591 R597 T598 E599 | L578-R595 HydrophobicContact CD1-CG 4.31Å; L578-R595 HydrophobicContact CD2-CG 4.04Å; T582-R595 HydrophobicContact CG2-CB 4.39Å; T582-R595 PolarHBondContact OG1-NH2 3.46Å; A591-R595 WeakPolarHBondContact O-CB 3.47Å; A591-R595 PolarHBondContact O-N 3.01Å; R595-R597 VanDerWaalsContact C-N 3.31Å; R595-R597 PolarHBondContact O-N 2.73Å; R595-T598 PolarHBondContact O-N 2.65Å; R595-T598 VanDerWaalsContact O-N 3.09Å; R595-E599 WeakPolarHBondContact CG-OE1 3.31Å; R595-E599 WeakPolarHBondContact O-CG 3.31Å; R595-E599 PolarHBondContact O-N 3.39Å |
| 596 | K | 93.4 | Very high | 88.2 | Confident | 148 Ų | 148 | 73.1 Ų | 73.1 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.2 | -40.9 | 179.1 | -71.9 | 174.8 | -178.4 | 175.3 | 0 | 113 | D592 K600 | D592-K596 WeakPolarHBondContact O-CG 3.02Å; D592-K596 PolarHBondContact O-N 3.24Å; D592-K596 VanDerWaalsContact O-N 3.13Å; K596-K600 WeakPolarHBondContact O-CB 3.12Å; K596-K600 PolarHBondContact O-N 3.09Å; K596-K600 VanDerWaalsContact O-N 3.09Å |
| 597 | R | 91.4 | Very high | 89.7 | Confident | 26 Ų | 26 | 75.5 Ų | 75.5 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.2 | -176.2 | 179.4 | 60.7 | -170.6 | -3.6 | 111.3 | D549 E551 K559 G560 K593 I594 R595 K600 Q601 | D549-R597 IonicContact OD2-NH1 3.35Å; E551-R597 WeakPolarHBondContact OE1-CD 3.46Å; E551-R597 IonicContact OE2-NH1 3.28Å; K559-R597 PolarHBondContact O-NH2 3.47Å; G560-R597 PolarHBondContact O-NH2 3.28Å; K593-R597 WeakPolarHBondContact O-CB 3.15Å; K593-R597 PolarHBondContact O-N 3.49Å; I594-R597 PolarHBondContact O-N 3.32Å; R595-R597 VanDerWaalsContact C-N 3.31Å; R595-R597 PolarHBondContact O-N 2.73Å; R597-K600 WeakPolarHBondContact O-CB 3.32Å; R597-K600 PolarHBondContact O-N 2.49Å; R597-Q601 VanDerWaalsContact O-CB 3.32Å; R597-Q601 WeakPolarHBondContact O-CB 3.47Å; R597-Q601 PolarHBondContact O-N 3.03Å |
| 598 | T | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.3 | -43 | -179.7 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L577 L578 R581 I594 R595 K600 Q601 F602 | L577-T598 HydrophobicContact CD2-CG2 3.8Å; L577-T598 HydrophobicContact CG-CG2 3.85Å; L578-T598 HydrophobicContact CD2-CG2 3.65Å; R581-T598 WeakPolarHBondContact CD-OG1 3.41Å; R581-T598 PolarHBondContact NH1-OG1 2.95Å; R581-T598 VanDerWaalsContact NH1-OG1 3.12Å; I594-T598 VanDerWaalsContact O-CB 3.31Å; I594-T598 WeakPolarHBondContact O-CB 3.17Å; I594-T598 PolarHBondContact O-N 3.29Å; I594-T598 PolarHBondContact O-OG1 3.43Å; R595-T598 PolarHBondContact O-N 2.65Å; R595-T598 VanDerWaalsContact O-N 3.09Å; T598-K600 VanDerWaalsContact C-N 3.28Å; T598-K600 PolarHBondContact O-N 3.43Å; T598-Q601 PolarHBondContact O-N 3.01Å; T598-F602 HydrophobicContact CG2-CD2 4.28Å; T598-F602 PolarHBondContact O-N 3.01Å |
| 599 | E | 94.5 | Very high | 92 | Very high | 78 Ų | 78 | 70.7 Ų | 70.7 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 173.5 | -70.9 | 168.1 | 170.3 | 0 | 0 | 111.9 | L574 L578 R595 P603 | L574-E599 HydrophobicContact CD1-CG 4.28Å; L574-E599 HydrophobicContact CD2-CG 4.45Å; L578-E599 HydrophobicContact CD1-CG 3.94Å; L578-E599 HydrophobicContact CD2-CG 4.05Å; R595-E599 WeakPolarHBondContact CG-OE1 3.31Å; R595-E599 WeakPolarHBondContact O-CG 3.31Å; R595-E599 PolarHBondContact O-N 3.39Å; E599-P603 WeakPolarHBondContact O-CA 3.29Å |
| 600 | K | 93 | Very high | 92.8 | Very high | 179 Ų | 179 | 63.9 Ų | 63.9 | 78% | 0.778 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.4 | -41 | 175.5 | -176.7 | -172.8 | 174.4 | -165.9 | 0 | 112.1 | K596 R597 T598 | K596-K600 WeakPolarHBondContact O-CB 3.12Å; K596-K600 PolarHBondContact O-N 3.09Å; K596-K600 VanDerWaalsContact O-N 3.09Å; R597-K600 WeakPolarHBondContact O-CB 3.32Å; R597-K600 PolarHBondContact O-N 2.49Å; T598-K600 VanDerWaalsContact C-N 3.28Å; T598-K600 PolarHBondContact O-N 3.43Å |
| 601 | Q | 89.6 | Confident | 93.5 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75.2 | -42.5 | -175.8 | -174.9 | 178.3 | 22 | 0 | 0 | 112.2 | D550 R597 T598 P603 | D550-Q601 VanDerWaalsContact OD1-CD 3.28Å; D550-Q601 PolarHBondContact OD1-NE2 3.41Å; R597-Q601 VanDerWaalsContact O-CB 3.32Å; R597-Q601 WeakPolarHBondContact O-CB 3.47Å; R597-Q601 PolarHBondContact O-N 3.03Å; T598-Q601 PolarHBondContact O-N 3.01Å; Q601-P603 WeakPolarHBondContact O-CD 3.47Å |
| 602 | F | 93.1 | Very high | 94 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 4% | 0.039 | 29% | 0.294 | C | S | . | . | trans | -128.4 | 65.3 | -174.1 | -58.5 | -66.9 | 0 | 0 | 0 | 109.9 | I563 M568 L574 L577 T598 N604 G605 I606 M632 | I563-F602 HydrophobicContact CD1-CE2 4.37Å; I563-F602 HydrophobicContact CD1-CZ 4.04Å; M568-F602 HydrophobicContact CE-CE1 4.3Å; M568-F602 HydrophobicContact CE-CZ 4.19Å; L574-F602 WeakPolarHBondContact CD1-O 3.45Å; L577-F602 HydrophobicContact CD2-CB 3.8Å; L577-F602 HydrophobicContact CD2-CD2 3.71Å; L577-F602 HydrophobicContact CD2-CG 3.93Å; T598-F602 HydrophobicContact CG2-CD2 4.28Å; T598-F602 PolarHBondContact O-N 3.01Å; F602-N604 PolarHBondContact O-N 2.85Å; F602-G605 PolarHBondContact O-N 3.41Å; F602-I606 HydrophobicContact CD1-CD1 4.27Å; F602-I606 HydrophobicContact CD1-CG1 3.56Å; F602-I606 HydrophobicContact CE1-CD1 4.19Å; F602-I606 HydrophobicContact CE1-CG1 3.79Å; F602-I606 HydrophobicContact CG-CD1 4.48Å; F602-I606 HydrophobicContact CG-CG1 4.01Å; F602-I606 HydrophobicContact CZ-CD1 4.32Å; F602-I606 HydrophobicContact CZ-CG1 4.4Å; F602-M632 HydrophobicContact CE1-CE 4.4Å; F602-M632 HydrophobicContact CE1-CG 4.06Å; F602-M632 HydrophobicContact CE1-SD 4.07Å | ||
| 603 | P | 94.8 | Very high | 94.4 | Very high | 81 Ų | 81 | 55 Ų | 55 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.7 | -171.2 | 23.9 | -35.1 | 0 | 0 | 0 | 114.4 | L574 E599 Q601 | L574-P603 WeakPolarHBondContact CD2-O 3.36Å; E599-P603 WeakPolarHBondContact O-CA 3.29Å; Q601-P603 WeakPolarHBondContact O-CD 3.47Å |
| 604 | N | 95.8 | Very high | 94.8 | Very high | 135 Ų | 135 | 47.9 Ų | 47.9 | 72% | 0.722 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117 | 13.1 | 177.5 | -58.1 | -41.5 | 0 | 0 | 0 | 112.5 | F602 | F602-N604 PolarHBondContact O-N 2.85Š|
| 605 | G | 95.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | trans | 80.8 | -155.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I572 F602 | I572-G605 CarbonylContact O-C 3.55Å; I572-G605 WeakPolarHBondContact O-CA 3.42Å; F602-G605 PolarHBondContact O-N 3.41Å | ||
| 606 | I | 95.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -119 | 128.4 | 179.9 | -61.8 | 154.6 | 0 | 0 | 0 | 108.2 | D567 M568 G571 I572 L577 F602 M632 | D567-I606 HydrophobicContact CB-CD1 4.14Å; D567-I606 VanDerWaalsContact O-CG2 3.24Å; D567-I606 WeakPolarHBondContact O-CG2 3.47Å; M568-I606 HydrophobicContact CE-CD1 3.33Å; M568-I606 HydrophobicContact CE-CG1 3.95Å; M568-I606 HydrophobicContact CE-CG2 4.06Å; M568-I606 HydrophobicContact SD-CD1 4.45Å; M568-I606 HydrophobicContact SD-CG2 3.75Å; G571-I606 CarbonylContact C-O 3.51Å; G571-I606 WeakPolarHBondContact CA-O 3.29Å; I572-I606 HydrophobicContact CG2-CB 3.98Å; I572-I606 HydrophobicContact CG2-CD1 3.7Å; I572-I606 HydrophobicContact CG2-CG1 4.2Å; I572-I606 PolarHBondContact N-O 3.13Å; I572-I606 PolarHBondContact O-N 2.92Å; L577-I606 HydrophobicContact CD1-CD1 4.28Å; L577-I606 HydrophobicContact CD2-CD1 3.93Å; L577-I606 HydrophobicContact CD2-CG1 4.28Å; F602-I606 HydrophobicContact CD1-CD1 4.27Å; F602-I606 HydrophobicContact CD1-CG1 3.56Å; F602-I606 HydrophobicContact CE1-CD1 4.19Å; F602-I606 HydrophobicContact CE1-CG1 3.79Å; F602-I606 HydrophobicContact CG-CD1 4.48Å; F602-I606 HydrophobicContact CG-CG1 4.01Å; F602-I606 HydrophobicContact CZ-CD1 4.32Å; F602-I606 HydrophobicContact CZ-CG1 4.4Å; I606-M632 HydrophobicContact CG2-CE 4.2Å |
| 607 | E | 95.2 | Very high | 95.7 | Very high | 127 Ų | 127 | 36.4 Ų | 36.4 | 59% | 0.593 | 19% | 0.187 | S | C | * | . | trans | -74.6 | 151.6 | 174.3 | -64.8 | -63.5 | 144.9 | 0 | 0 | 111.1 | H609 | E607-H609 PolarHBondContact O-CE1 3.25Å; E607-H609 PolarHBondContact O-N 3.41Å; E607-H609 PolarHBondContact O-ND1 2.98Å | ||
| 608 | P | 95.6 | Very high | 96 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 39% | 0.39 | 18% | 0.182 | S | C | . | . | trans | -67.3 | 128.3 | 174.6 | 25.1 | -32.3 | 0 | 0 | 0 | 111.7 | ||||
| 609 | H | 97 | Very high | 96.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | trans | -112.4 | -20 | 176.6 | -65.7 | 80 | 0 | 0 | 0 | 114 | M568 V569 E607 A613 L635 E636 R639 | M568-H609 WeakPolarHBondContact O-CB 3.38Å; M568-H609 PolarHBondContact O-N 3.4Å; M568-H609 VanDerWaalsContact O-N 3.11Å; V569-H609 PolarHBondContact O-N 3.16Å; E607-H609 PolarHBondContact O-CE1 3.25Å; E607-H609 PolarHBondContact O-N 3.41Å; E607-H609 PolarHBondContact O-ND1 2.98Å; H609-A613 HydrophobicContact CB-CB 4.31Å; H609-A613 VanDerWaalsContact O-CB 3.29Å; H609-A613 WeakPolarHBondContact O-CB 3.45Å; H609-L635 HydrophobicContact CB-CD1 3.91Å; H609-L635 HydrophobicContact CB-CD2 3.96Å; H609-L635 HydrophobicContact CB-CG 3.83Å; H609-E636 VanDerWaalsContact NE2-CG 3.34Å; H609-E636 WeakPolarHBondContact NE2-CG 3.09Å; H609-R639 HydrophobicContact CB-CB 4.44Å | ||
| 610 | G | 97.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | 81 | 159.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E11 V569 L614 | E11-G610 WeakPolarHBondContact OE1-CA 3.21Å; V569-G610 PolarHBondContact O-N 2.82Å; V569-G610 VanDerWaalsContact O-N 3.11Å; G610-L614 PolarHBondContact O-N 3.18Å | ||
| 611 | T | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.5 | -41.9 | -175 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | E11 R131 L132 V569 A613 L614 R615 F756 | E11-T611 WeakPolarHBondContact OE1-CB 3.48Å; E11-T611 PolarHBondContact OE1-N 2.9Å; E11-T611 PolarHBondContact OE2-OG1 2.86Å; R131-T611 PolarHBondContact O-OG1 2.77Å; L132-T611 WeakPolarHBondContact O-CG2 3.37Å; V569-T611 VanDerWaalsContact CG1-OG1 3.26Å; V569-T611 WeakPolarHBondContact CG1-OG1 3.41Å; T611-A613 PolarHBondContact O-N 3.37Å; T611-L614 WeakPolarHBondContact O-CB 3.35Å; T611-L614 PolarHBondContact O-N 3.43Å; T611-R615 HydrophobicContact CG2-CG 4.2Å; T611-R615 WeakPolarHBondContact O-CB 3.36Å; T611-R615 VanDerWaalsContact O-CG 3.27Å; T611-R615 WeakPolarHBondContact O-CG 3.48Å; T611-R615 PolarHBondContact O-N 3.01Å; T611-F756 HydrophobicContact CG2-CD2 4.17Å; T611-F756 HydrophobicContact CG2-CE2 3.62Å |
| 612 | D | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 179.1 | -79.3 | -17.1 | 0 | 0 | 0 | 112.2 | L614 R615 F616 I754 P755 F756 I757 | D612-L614 VanDerWaalsContact C-N 3.33Å; D612-L614 PolarHBondContact O-N 3.49Å; D612-R615 PolarHBondContact O-N 3.33Å; D612-F616 WeakPolarHBondContact O-CB 3.17Å; D612-F616 PolarHBondContact O-N 3.22Å; D612-I754 HydrophobicContact CB-CB 3.85Å; D612-I754 HydrophobicContact CB-CG2 3.7Å; D612-I754 WeakPolarHBondContact O-CG2 3.49Å; D612-I754 VanDerWaalsContact OD1-CA 3.25Å; D612-I754 WeakPolarHBondContact OD1-CA 3.35Å; D612-P755 WeakPolarHBondContact OD1-CD 3.39Å; D612-P755 VanDerWaalsContact OD1-N 3.13Å; D612-F756 WeakPolarHBondContact OD1-CD2 3.1Å; D612-F756 PolarHBondContact OD1-N 3.17Å; D612-F756 WeakPolarHBondContact OD2-CB 3.46Å; D612-F756 PolarHBondContact OD2-N 2.96Å; D612-I757 VanDerWaalsContact OD2-CB 3.27Å; D612-I757 WeakPolarHBondContact OD2-CB 3.22Å; D612-I757 WeakPolarHBondContact OD2-CG2 3.41Å; D612-I757 PolarHBondContact OD2-N 3.49Å |
| 613 | A | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H609 T611 T617 L635 R639 | H609-A613 HydrophobicContact CB-CB 4.31Å; H609-A613 VanDerWaalsContact O-CB 3.29Å; H609-A613 WeakPolarHBondContact O-CB 3.45Å; T611-A613 PolarHBondContact O-N 3.37Å; A613-T617 WeakPolarHBondContact O-CB 3.34Å; A613-T617 PolarHBondContact O-N 3.43Å; A613-T617 PolarHBondContact O-OG1 3.09Å; A613-L635 HydrophobicContact CB-CD1 4.12Å; A613-R639 HydrophobicContact CB-CB 4.09Å |
| 614 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -50.8 | 175 | 172.6 | 59.3 | 0 | 0 | 0 | 111.4 | M50 L132 P565 V569 G610 T611 D612 F616 T617 L618 W630 L635 | M50-L614 HydrophobicContact CE-CD1 3.59Å; L132-L614 HydrophobicContact CD2-CD2 3.81Å; P565-L614 HydrophobicContact CB-CD2 4Å; V569-L614 HydrophobicContact CG2-CD2 3.73Å; G610-L614 PolarHBondContact O-N 3.18Å; T611-L614 WeakPolarHBondContact O-CB 3.35Å; T611-L614 PolarHBondContact O-N 3.43Å; D612-L614 VanDerWaalsContact C-N 3.33Å; D612-L614 PolarHBondContact O-N 3.49Å; L614-F616 PolarHBondContact O-N 2.76Å; L614-T617 WeakPolarHBondContact O-CB 3.5Å; L614-T617 PolarHBondContact O-N 2.85Å; L614-L618 HydrophobicContact CD1-CD1 3.76Å; L614-L618 HydrophobicContact CD1-CG 4.01Å; L614-L618 HydrophobicContact CG-CD1 3.89Å; L614-L618 VanDerWaalsContact O-CG 3.26Å; L614-L618 WeakPolarHBondContact O-CG 3.44Å; L614-L618 PolarHBondContact O-N 3.43Å; L614-W630 HydrophobicContact CD1-CH2 3.52Å; L614-W630 HydrophobicContact CD1-CZ2 4.38Å; L614-W630 HydrophobicContact CD1-CZ3 4.14Å; L614-L635 HydrophobicContact CB-CD1 4.23Å |
| 615 | R | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 179.4 | -70.6 | 173.4 | 63.7 | 98 | 2.8 | 112.2 | T57 D60 L132 T611 D612 T617 L618 A619 P752 I753 | T57-R615 HydrophobicContact CG2-CB 3.86Å; T57-R615 HydrophobicContact CG2-CG 4.18Å; T57-R615 WeakPolarHBondContact CG2-O 3.27Å; D60-R615 IonicContact OD2-CZ 3.92Å; D60-R615 IonicContact OD2-NH1 2.77Å; D60-R615 PolarHBondContact OD2-NH1 3.47Å; D60-R615 IonicContact OD2-NH2 3.45Å; D60-R615 PolarHBondContact OD2-NH2 3.31Å; L132-R615 PolarHBondContact O-NH1 2.85Å; T611-R615 HydrophobicContact CG2-CG 4.2Å; T611-R615 WeakPolarHBondContact O-CB 3.36Å; T611-R615 VanDerWaalsContact O-CG 3.27Å; T611-R615 WeakPolarHBondContact O-CG 3.48Å; T611-R615 PolarHBondContact O-N 3.01Å; D612-R615 PolarHBondContact O-N 3.33Å; R615-T617 VanDerWaalsContact C-N 3.3Å; R615-T617 PolarHBondContact O-N 2.9Å; R615-L618 PolarHBondContact O-N 3.48Å; R615-A619 PolarHBondContact O-N 2.96Å; R615-P752 PolarHBondContact NH2-O 3.09Å; R615-P752 VanDerWaalsContact NH2-O 3.09Å; R615-I753 WeakPolarHBondContact CB-O 3.43Å; R615-I753 PolarHBondContact NE-O 2.84Å |
| 616 | F | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 176.5 | -157.1 | -68.6 | 0 | 0 | 0 | 111.4 | D612 L614 L618 A619 A620 Y638 F641 A701 L704 I753 I754 | D612-F616 WeakPolarHBondContact O-CB 3.17Å; D612-F616 PolarHBondContact O-N 3.22Å; L614-F616 PolarHBondContact O-N 2.76Å; F616-L618 VanDerWaalsContact C-N 3.33Å; F616-L618 PolarHBondContact O-N 2.84Å; F616-A619 PolarHBondContact O-N 3.02Å; F616-A620 WeakPolarHBondContact O-CB 3.19Å; F616-A620 PolarHBondContact O-N 2.81Å; F616-Y638 HydrophobicContact CB-CD1 4.43Å; F616-Y638 HydrophobicContact CB-CG 4.25Å; F616-Y638 AromaticContact CD1-CD1 3.14Å; F616-Y638 HydrophobicContact CD1-CD1 3.14Å; F616-Y638 HydrophobicContact CD1-CD2 4.16Å; F616-Y638 AromaticContact CD1-CE1 3.19Å; F616-Y638 HydrophobicContact CD1-CE1 3.19Å; F616-Y638 HydrophobicContact CD1-CE2 4.16Å; F616-Y638 AromaticContact CD1-CG 3.67Å; F616-Y638 HydrophobicContact CD1-CG 3.67Å; F616-Y638 AromaticContact CD1-CZ 3.71Å; F616-Y638 AromaticContact CE1-CD1 3.51Å; F616-Y638 HydrophobicContact CE1-CD1 3.51Å; F616-Y638 AromaticContact CE1-CE1 3.16Å; F616-Y638 HydrophobicContact CE1-CE1 3.16Å; F616-Y638 HydrophobicContact CE1-CG 4.44Å; F616-Y638 AromaticContact CE1-CZ 3.85Å; F616-Y638 AromaticContact CG-CD1 3.93Å; F616-Y638 HydrophobicContact CG-CD1 3.93Å; F616-Y638 HydrophobicContact CG-CE1 4.36Å; F616-Y638 HydrophobicContact CG-CG 4.24Å; F616-Y638 HydrophobicContact CZ-CD1 4.49Å; F616-Y638 HydrophobicContact CZ-CE1 4.3Å; F616-F641 HydrophobicContact CD2-CD1 4.14Å; F616-F641 AromaticContact CD2-CE1 3.88Å; F616-F641 HydrophobicContact CD2-CE1 3.88Å; F616-F641 AromaticContact CE2-CD1 3.99Å; F616-F641 HydrophobicContact CE2-CD1 3.99Å; F616-F641 AromaticContact CE2-CE1 3.41Å; F616-F641 HydrophobicContact CE2-CE1 3.41Å; F616-F641 VanDerWaalsContact CE2-CE1 3.41Å; F616-F641 AromaticContact CE2-CZ 3.87Å; F616-F641 HydrophobicContact CE2-CZ 3.87Å; F616-F641 HydrophobicContact CZ-CD1 4.43Å; F616-F641 HydrophobicContact CZ-CE1 4.01Å; F616-F641 HydrophobicContact CZ-CZ 4.15Å; F616-A701 HydrophobicContact CD1-CB 4.33Å; F616-A701 HydrophobicContact CE1-CB 3.86Å; F616-A701 HydrophobicContact CZ-CB 4.26Å; F616-A701 VanDerWaalsContact CZ-O 3.23Å; F616-A701 WeakPolarHBondContact CZ-O 3.48Å; F616-L704 HydrophobicContact CD2-CD2 4.49Å; F616-L704 HydrophobicContact CE2-CB 4.45Å; F616-L704 HydrophobicContact CE2-CD2 3.64Å; F616-L704 HydrophobicContact CE2-CG 4.02Å; F616-L704 HydrophobicContact CZ-CB 4.38Å; F616-L704 HydrophobicContact CZ-CD2 4.35Å; F616-L704 HydrophobicContact CZ-CG 4.38Å; F616-I753 HydrophobicContact CB-CG2 4.23Å; F616-I753 HydrophobicContact CD2-CG2 4.03Å; F616-I753 HydrophobicContact CG-CG2 4.29Å; F616-I754 HydrophobicContact CB-CG2 3.99Å; F616-I754 HydrophobicContact CD2-CG2 3.8Å; F616-I754 HydrophobicContact CG-CG2 4.41Å |
| 617 | T | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 175.2 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | A613 L614 R615 A620 L621 W630 R634 L635 Y638 | A613-T617 WeakPolarHBondContact O-CB 3.34Å; A613-T617 PolarHBondContact O-N 3.43Å; A613-T617 PolarHBondContact O-OG1 3.09Å; L614-T617 WeakPolarHBondContact O-CB 3.5Å; L614-T617 PolarHBondContact O-N 2.85Å; R615-T617 VanDerWaalsContact C-N 3.3Å; R615-T617 PolarHBondContact O-N 2.9Å; T617-A620 PolarHBondContact O-N 3.47Å; T617-L621 HydrophobicContact CG2-CD1 3.95Å; T617-L621 WeakPolarHBondContact O-CB 2.89Å; T617-L621 VanDerWaalsContact O-CG 3.25Å; T617-L621 WeakPolarHBondContact O-CG 3.47Å; T617-L621 PolarHBondContact O-N 2.89Å; T617-W630 HydrophobicContact CG2-CH2 4.01Å; T617-W630 HydrophobicContact CG2-CZ3 3.82Å; T617-R634 HydrophobicContact CG2-CB 4.12Å; T617-L635 HydrophobicContact CG2-CB 4.38Å; T617-L635 WeakPolarHBondContact OG1-CA 3.38Å; T617-L635 WeakPolarHBondContact OG1-CD1 3.48Å; T617-Y638 HydrophobicContact CG2-CD2 4.25Å; T617-Y638 VanDerWaalsContact OG1-CD2 3.29Å; T617-Y638 WeakPolarHBondContact OG1-CD2 3.32Å |
| 618 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | -179.2 | -66.7 | 169.3 | 0 | 0 | 0 | 111.6 | M50 A53 F54 T57 L614 R615 F616 A620 L621 A622 W630 | M50-L618 HydrophobicContact CE-CD2 4.14Å; A53-L618 HydrophobicContact CB-CD1 3.98Å; F54-L618 HydrophobicContact CB-CD2 3.96Å; F54-L618 HydrophobicContact CD2-CB 4.02Å; F54-L618 HydrophobicContact CD2-CD2 3.97Å; F54-L618 VanDerWaalsContact CE2-O 3.26Å; F54-L618 WeakPolarHBondContact CE2-O 3.36Å; F54-L618 HydrophobicContact CG-CD2 4.47Å; T57-L618 HydrophobicContact CG2-CB 4.21Å; T57-L618 WeakPolarHBondContact OG1-CD1 3.38Å; L614-L618 HydrophobicContact CD1-CD1 3.76Å; L614-L618 HydrophobicContact CD1-CG 4.01Å; L614-L618 HydrophobicContact CG-CD1 3.89Å; L614-L618 VanDerWaalsContact O-CG 3.26Å; L614-L618 WeakPolarHBondContact O-CG 3.44Å; L614-L618 PolarHBondContact O-N 3.43Å; R615-L618 PolarHBondContact O-N 3.48Å; F616-L618 VanDerWaalsContact C-N 3.33Å; F616-L618 PolarHBondContact O-N 2.84Å; L618-A620 PolarHBondContact O-N 3.24Å; L618-L621 PolarHBondContact O-N 2.98Å; L618-A622 PolarHBondContact O-N 3.21Å; L618-W630 HydrophobicContact CD2-CE3 4.34Å; L618-W630 HydrophobicContact CD2-CZ3 3.75Å; L618-W630 HydrophobicContact CG-CZ3 4.38Å |
| 619 | A | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R615 F616 L621 A622 F697 D698 A701 I753 | R615-A619 PolarHBondContact O-N 2.96Å; F616-A619 PolarHBondContact O-N 3.02Å; A619-L621 PolarHBondContact O-N 2.95Å; A619-A622 VanDerWaalsContact O-CB 3.3Å; A619-A622 WeakPolarHBondContact O-CB 3.26Å; A619-A622 PolarHBondContact O-N 2.95Å; A619-A622 VanDerWaalsContact O-N 3.11Å; A619-F697 CarbonylContact O-C 3.6Å; A619-F697 VanDerWaalsContact O-C 3.3Å; A619-D698 WeakPolarHBondContact O-CA 3.35Å; A619-D698 PolarHBondContact O-N 3.08Å; A619-A701 HydrophobicContact CB-CB 4.2Å; A619-I753 HydrophobicContact CB-CD1 4.23Å; A619-I753 HydrophobicContact CB-CG2 3.99Å |
| 620 | A | 97.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 10% | 0.099 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.1 | -20.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F616 T617 L618 Y638 A701 | F616-A620 WeakPolarHBondContact O-CB 3.19Å; F616-A620 PolarHBondContact O-N 2.81Å; T617-A620 PolarHBondContact O-N 3.47Å; L618-A620 PolarHBondContact O-N 3.24Å; A620-Y638 HydrophobicContact CB-CE2 3.83Å; A620-Y638 WeakPolarHBondContact CB-OH 3.36Å; A620-A701 HydrophobicContact CB-CB 3.88Å |
| 621 | L | 95.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 27.3 Ų | 27.3 | 9% | 0.094 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -93.3 | -5.6 | 176.9 | -74 | 175.8 | 0 | 0 | 0 | 113.2 | T617 L618 A619 S623 I628 W630 | T617-L621 HydrophobicContact CG2-CD1 3.95Å; T617-L621 WeakPolarHBondContact O-CB 2.89Å; T617-L621 VanDerWaalsContact O-CG 3.25Å; T617-L621 WeakPolarHBondContact O-CG 3.47Å; T617-L621 PolarHBondContact O-N 2.89Å; L618-L621 PolarHBondContact O-N 2.98Å; A619-L621 PolarHBondContact O-N 2.95Å; L621-S623 PolarHBondContact O-N 3.37Å; L621-I628 HydrophobicContact CB-CG2 3.87Å; L621-I628 HydrophobicContact CD1-CG2 4.32Å; L621-W630 HydrophobicContact CD1-CE3 4.05Å; L621-W630 HydrophobicContact CD1-CZ3 4.28Å |
| 622 | A | 94.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | trans | -77.5 | 54.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F54 I58 L618 A619 F697 | F54-A622 HydrophobicContact CE2-CB 3.65Å; F54-A622 HydrophobicContact CZ-CB 3.6Å; I58-A622 HydrophobicContact CD1-CB 3.55Å; I58-A622 HydrophobicContact CG1-CB 4.41Å; L618-A622 PolarHBondContact O-N 3.21Å; A619-A622 VanDerWaalsContact O-CB 3.3Å; A619-A622 WeakPolarHBondContact O-CB 3.26Å; A619-A622 PolarHBondContact O-N 2.95Å; A619-A622 VanDerWaalsContact O-N 3.11Å; A622-F697 HydrophobicContact CB-CB 3.97Å | ||
| 623 | S | 87.8 | Confident | 93.5 | Very high | 47 Ų | 47 | 37 Ų | 37 | 33% | 0.329 | 19% | 0.193 | S | C | . | . | trans | -75.4 | 168.3 | 172.1 | 74.3 | 0 | 0 | 0 | 0 | 111.7 | L621 G625 | L621-S623 PolarHBondContact O-N 3.37Å; S623-G625 PolarHBondContact O-N 3.08Å; S623-G625 PolarHBondContact OG-N 3.39Å | ||
| 624 | T | 86.6 | Confident | 93.3 | Very high | 80 Ų | 80 | 42.2 Ų | 42.2 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -76.2 | 4.2 | 177.1 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | P406 | P406-T624 HydrophobicContact CG-CG2 3.86Š|
| 625 | G | 87.9 | Confident | 93.2 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -69.3 | 152.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G545 S623 D627 | G545-G625 WeakPolarHBondContact CA-O 3.49Å; S623-G625 PolarHBondContact O-N 3.08Å; S623-G625 PolarHBondContact OG-N 3.39Å; G625-D627 VanDerWaalsContact C-N 3.25Å; G625-D627 PolarHBondContact O-N 3.24Å |
| 626 | R | 89.7 | Confident | 93.1 | Very high | 133 Ų | 133 | 46.7 Ų | 46.7 | 50% | 0.502 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -69.4 | -25.6 | 173.6 | -76.2 | -173.2 | 172.4 | -170.1 | -3.6 | 112.9 | F509 G545 L546 | F509-R626 HydrophobicContact CD1-CG 4.49Å; F509-R626 HydrophobicContact CE1-CB 3.92Å; F509-R626 HydrophobicContact CE1-CG 4.02Å; F509-R626 WeakPolarHBondContact CE1-O 3.37Å; F509-R626 HydrophobicContact CZ-CB 4.21Å; F509-R626 HydrophobicContact CZ-CG 4.29Å; G545-R626 CarbonylContact C-O 3.56Å; G545-R626 VanDerWaalsContact CA-O 3.26Å; G545-R626 WeakPolarHBondContact CA-O 2.91Å; L546-R626 PolarHBondContact N-O 3.22Å |
| 627 | D | 91.9 | Very high | 93.1 | Very high | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.8 | -174.5 | -61.7 | -51.1 | 0 | 0 | 0 | 110.3 | R548 G625 | R548-D627 HydrophobicContact CG-CB 4.01Å; R548-D627 IonicContact CZ-OD1 2.93Å; R548-D627 IonicContact NE-OD1 3.25Å; R548-D627 PolarHBondContact NE-OD1 3.33Å; R548-D627 IonicContact NH2-OD1 2.81Å; R548-D627 PolarHBondContact NH2-OD1 3.1Å; G625-D627 VanDerWaalsContact C-N 3.25Å; G625-D627 PolarHBondContact O-N 3.24Å |
| 628 | I | 91.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 101.3 | 175.9 | -61 | 166.9 | 0 | 0 | 0 | 107.2 | F54 L546 I547 R548 L621 W630 | F54-I628 HydrophobicContact CD1-CD1 4.05Å; F54-I628 HydrophobicContact CD2-CD1 4.3Å; F54-I628 HydrophobicContact CE1-CD1 3.54Å; F54-I628 HydrophobicContact CE2-CD1 3.79Å; F54-I628 HydrophobicContact CG-CD1 4.43Å; F54-I628 HydrophobicContact CZ-CD1 3.39Å; L546-I628 PolarHBondContact O-N 3.35Å; I547-I628 CarbonylContact C-O 3.59Å; I547-I628 WeakPolarHBondContact CA-O 3.44Å; I547-I628 HydrophobicContact CG1-CB 4.27Å; I547-I628 HydrophobicContact CG1-CG2 4.33Å; R548-I628 PolarHBondContact N-O 3Å; L621-I628 HydrophobicContact CB-CG2 3.87Å; L621-I628 HydrophobicContact CD1-CG2 4.32Å; I628-W630 PolarHBondContact O-N 3.47Å |
| 629 | N | 89.6 | Confident | 93 | Very high | 95 Ų | 95 | 53.5 Ų | 53.5 | 51% | 0.508 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.3 | 177.2 | -64.3 | -37.5 | 0 | 0 | 0 | 109.2 | D631 | N629-D631 PolarHBondContact O-N 3.06Å |
| 630 | W | 90.5 | Very high | 93 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | trans | -66.5 | 130.8 | 174.9 | 179.6 | -109.6 | 0 | 0 | 0 | 110.6 | M50 I547 R548 M555 M568 L614 T617 L618 L621 I628 M632 L635 | M50-W630 HydrophobicContact CE-CD2 3.89Å; M50-W630 HydrophobicContact CE-CE3 3.59Å; M50-W630 HydrophobicContact CE-CH2 3.31Å; M50-W630 HydrophobicContact CE-CZ2 3.58Å; M50-W630 HydrophobicContact CE-CZ3 3.3Å; I547-W630 HydrophobicContact CG2-CB 4.19Å; R548-W630 WeakPolarHBondContact O-CB 3.4Å; R548-W630 PolarHBondContact O-N 3.14Å; M555-W630 HydrophobicContact CE-CB 4.22Å; M568-W630 HydrophobicContact CG-CZ2 4.13Å; M568-W630 HydrophobicContact SD-CZ2 4.05Å; L614-W630 HydrophobicContact CD1-CH2 3.52Å; L614-W630 HydrophobicContact CD1-CZ2 4.38Å; L614-W630 HydrophobicContact CD1-CZ3 4.14Å; T617-W630 HydrophobicContact CG2-CH2 4.01Å; T617-W630 HydrophobicContact CG2-CZ3 3.82Å; L618-W630 HydrophobicContact CD2-CE3 4.34Å; L618-W630 HydrophobicContact CD2-CZ3 3.75Å; L618-W630 HydrophobicContact CG-CZ3 4.38Å; L621-W630 HydrophobicContact CD1-CE3 4.05Å; L621-W630 HydrophobicContact CD1-CZ3 4.28Å; I628-W630 PolarHBondContact O-N 3.47Å; W630-M632 HydrophobicContact CZ2-SD 4.22Å; W630-M632 PolarHBondContact NE1-SD 3.25Å; W630-L635 HydrophobicContact CH2-CB 4.48Å; W630-L635 HydrophobicContact CH2-CD2 4.33Å; W630-L635 HydrophobicContact CZ2-CB 4.42Å; W630-L635 HydrophobicContact CZ2-CD2 3.93Å | ||
| 631 | D | 87.9 | Confident | 93 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | trans | -130.6 | 109.6 | -175.5 | -174.4 | -9.2 | 0 | 0 | 0 | 111.4 | N629 K633 R634 L635 | N629-D631 PolarHBondContact O-N 3.06Å; D631-K633 VanDerWaalsContact C-N 3.3Å; D631-K633 PolarHBondContact O-N 3.44Å; D631-K633 WeakPolarHBondContact OD1-CB 3.39Å; D631-K633 PolarHBondContact OD1-N 3Å; D631-R634 HydrophobicContact CB-CB 4.21Å; D631-R634 HydrophobicContact CB-CG 4.1Å; D631-R634 PolarHBondContact O-N 3.09Å; D631-R634 IonicContact OD2-NE 3.3Å; D631-L635 PolarHBondContact O-N 2.84Å | ||
| 632 | M | 92.1 | Very high | 93.2 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 20% | 0.197 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -32 | 177.8 | -70.6 | -58.6 | -59.7 | 0 | 0 | 113.2 | M568 F602 I606 W630 R634 L635 E636 | M568-M632 HydrophobicContact CE-CE 4.31Å; M568-M632 HydrophobicContact CE-SD 3.8Å; M568-M632 HydrophobicContact SD-CE 3.68Å; M568-M632 HydrophobicContact SD-SD 3.51Å; F602-M632 HydrophobicContact CE1-CE 4.4Å; F602-M632 HydrophobicContact CE1-CG 4.06Å; F602-M632 HydrophobicContact CE1-SD 4.07Å; I606-M632 HydrophobicContact CG2-CE 4.2Å; W630-M632 HydrophobicContact CZ2-SD 4.22Å; W630-M632 PolarHBondContact NE1-SD 3.25Å; M632-R634 VanDerWaalsContact C-N 3.3Å; M632-R634 PolarHBondContact O-N 3.19Å; M632-L635 HydrophobicContact CE-CD2 4.07Å; M632-L635 WeakPolarHBondContact O-CB 3.42Å; M632-L635 PolarHBondContact O-N 3.1Å; M632-L635 HydrophobicContact SD-CD2 4.4Å; M632-E636 WeakPolarHBondContact O-CG 3.4Å; M632-E636 PolarHBondContact O-N 3.43Å |
| 633 | K | 92.8 | Very high | 93.3 | Very high | 163 Ų | 163 | 56.9 Ų | 56.9 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.7 | -33.9 | 179.6 | -65.6 | -178.2 | 178.2 | 178.5 | 0 | 111.3 | D631 G637 | D631-K633 VanDerWaalsContact C-N 3.3Å; D631-K633 PolarHBondContact O-N 3.44Å; D631-K633 WeakPolarHBondContact OD1-CB 3.39Å; D631-K633 PolarHBondContact OD1-N 3Å; K633-G637 PolarHBondContact O-N 2.91Å |
| 634 | R | 94.6 | Very high | 93.7 | Very high | 112 Ų | 112 | 57.5 Ų | 57.5 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 172.2 | -74 | -176.7 | -179.6 | -143 | -1.4 | 110.9 | T617 D631 M632 E636 G637 Y638 | T617-R634 HydrophobicContact CG2-CB 4.12Å; D631-R634 HydrophobicContact CB-CB 4.21Å; D631-R634 HydrophobicContact CB-CG 4.1Å; D631-R634 PolarHBondContact O-N 3.09Å; D631-R634 IonicContact OD2-NE 3.3Å; M632-R634 VanDerWaalsContact C-N 3.3Å; M632-R634 PolarHBondContact O-N 3.19Å; R634-E636 PolarHBondContact O-N 3.27Å; R634-G637 CarbonylContact O-C 3.59Å; R634-G637 WeakPolarHBondContact O-CA 3.47Å; R634-G637 PolarHBondContact O-N 2.58Å; R634-G637 VanDerWaalsContact O-N 3.1Å; R634-Y638 HydrophobicContact CB-CD2 4.39Å; R634-Y638 HydrophobicContact CB-CE2 4.13Å; R634-Y638 WeakPolarHBondContact O-CD2 3.42Å; R634-Y638 PolarHBondContact O-N 2.95Å |
| 635 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 175.8 | -179.7 | 63.7 | 0 | 0 | 0 | 112.1 | M568 H609 A613 L614 T617 W630 D631 M632 G637 Y638 R639 | M568-L635 HydrophobicContact CB-CD2 4.03Å; M568-L635 HydrophobicContact CG-CD2 4.32Å; M568-L635 HydrophobicContact SD-CD2 3.8Å; H609-L635 HydrophobicContact CB-CD1 3.91Å; H609-L635 HydrophobicContact CB-CD2 3.96Å; H609-L635 HydrophobicContact CB-CG 3.83Å; A613-L635 HydrophobicContact CB-CD1 4.12Å; L614-L635 HydrophobicContact CB-CD1 4.23Å; T617-L635 HydrophobicContact CG2-CB 4.38Å; T617-L635 WeakPolarHBondContact OG1-CA 3.38Å; T617-L635 WeakPolarHBondContact OG1-CD1 3.48Å; W630-L635 HydrophobicContact CH2-CB 4.48Å; W630-L635 HydrophobicContact CH2-CD2 4.33Å; W630-L635 HydrophobicContact CZ2-CB 4.42Å; W630-L635 HydrophobicContact CZ2-CD2 3.93Å; D631-L635 PolarHBondContact O-N 2.84Å; M632-L635 HydrophobicContact CE-CD2 4.07Å; M632-L635 WeakPolarHBondContact O-CB 3.42Å; M632-L635 PolarHBondContact O-N 3.1Å; M632-L635 HydrophobicContact SD-CD2 4.4Å; L635-G637 VanDerWaalsContact C-N 3.3Å; L635-G637 PolarHBondContact O-N 2.75Å; L635-Y638 PolarHBondContact O-N 3.43Å; L635-R639 PolarHBondContact O-N 3.42Å |
| 636 | E | 96.6 | Very high | 94.8 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 173.1 | -72.5 | 173.2 | -163.6 | 0 | 0 | 112 | H609 M632 R634 Y638 R639 N640 | H609-E636 VanDerWaalsContact NE2-CG 3.34Å; H609-E636 WeakPolarHBondContact NE2-CG 3.09Å; M632-E636 WeakPolarHBondContact O-CG 3.4Å; M632-E636 PolarHBondContact O-N 3.43Å; R634-E636 PolarHBondContact O-N 3.27Å; E636-Y638 PolarHBondContact O-N 2.88Å; E636-R639 PolarHBondContact O-N 3.23Å; E636-N640 PolarHBondContact O-N 3.17Å; E636-N640 PolarHBondContact O-ND2 3.08Å |
| 637 | G | 97.7 | Very high | 95.1 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K633 R634 L635 N640 F641 | K633-G637 PolarHBondContact O-N 2.91Å; R634-G637 CarbonylContact O-C 3.59Å; R634-G637 WeakPolarHBondContact O-CA 3.47Å; R634-G637 PolarHBondContact O-N 2.58Å; R634-G637 VanDerWaalsContact O-N 3.1Å; L635-G637 VanDerWaalsContact C-N 3.3Å; L635-G637 PolarHBondContact O-N 2.75Å; G637-N640 CarbonylContact O-C 3.59Å; G637-N640 WeakPolarHBondContact O-CB 3.5Å; G637-N640 PolarHBondContact O-N 2.8Å; G637-F641 PolarHBondContact O-N 2.91Å |
| 638 | Y | 98 | Very high | 95.4 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 13% | 0.129 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77.4 | -26 | 179.7 | -65.4 | -55.8 | 0 | 0 | 0 | 113.5 | F616 T617 A620 R634 L635 E636 N640 F641 C642 Y705 | F616-Y638 HydrophobicContact CB-CD1 4.43Å; F616-Y638 HydrophobicContact CB-CG 4.25Å; F616-Y638 AromaticContact CD1-CD1 3.14Å; F616-Y638 HydrophobicContact CD1-CD1 3.14Å; F616-Y638 HydrophobicContact CD1-CD2 4.16Å; F616-Y638 AromaticContact CD1-CE1 3.19Å; F616-Y638 HydrophobicContact CD1-CE1 3.19Å; F616-Y638 HydrophobicContact CD1-CE2 4.16Å; F616-Y638 AromaticContact CD1-CG 3.67Å; F616-Y638 HydrophobicContact CD1-CG 3.67Å; F616-Y638 AromaticContact CD1-CZ 3.71Å; F616-Y638 AromaticContact CE1-CD1 3.51Å; F616-Y638 HydrophobicContact CE1-CD1 3.51Å; F616-Y638 AromaticContact CE1-CE1 3.16Å; F616-Y638 HydrophobicContact CE1-CE1 3.16Å; F616-Y638 HydrophobicContact CE1-CG 4.44Å; F616-Y638 AromaticContact CE1-CZ 3.85Å; F616-Y638 AromaticContact CG-CD1 3.93Å; F616-Y638 HydrophobicContact CG-CD1 3.93Å; F616-Y638 HydrophobicContact CG-CE1 4.36Å; F616-Y638 HydrophobicContact CG-CG 4.24Å; F616-Y638 HydrophobicContact CZ-CD1 4.49Å; F616-Y638 HydrophobicContact CZ-CE1 4.3Å; T617-Y638 HydrophobicContact CG2-CD2 4.25Å; T617-Y638 VanDerWaalsContact OG1-CD2 3.29Å; T617-Y638 WeakPolarHBondContact OG1-CD2 3.32Å; A620-Y638 HydrophobicContact CB-CE2 3.83Å; A620-Y638 WeakPolarHBondContact CB-OH 3.36Å; R634-Y638 HydrophobicContact CB-CD2 4.39Å; R634-Y638 HydrophobicContact CB-CE2 4.13Å; R634-Y638 WeakPolarHBondContact O-CD2 3.42Å; R634-Y638 PolarHBondContact O-N 2.95Å; L635-Y638 PolarHBondContact O-N 3.43Å; E636-Y638 PolarHBondContact O-N 2.88Å; Y638-N640 VanDerWaalsContact C-N 3.31Å; Y638-F641 HydrophobicContact CD1-CB 4.29Å; Y638-F641 WeakPolarHBondContact O-CB 3.5Å; Y638-F641 PolarHBondContact O-N 2.81Å; Y638-C642 PolarHBondContact O-N 2.74Å; Y638-C642 PolarHBondContact O-SG 3.14Å; Y638-C642 VanDerWaalsContact O-SG 3.41Å; Y638-Y705 HydrophobicContact CD1-CD2 4.37Å; Y638-Y705 AromaticContact CE1-CD2 3.95Å; Y638-Y705 HydrophobicContact CE1-CD2 3.95Å; Y638-Y705 HydrophobicContact CE1-CE2 4.45Å |
| 639 | R | 97.2 | Very high | 95.7 | Very high | 82 Ų | 82 | 47 Ų | 47 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 164 | -174.9 | -167.6 | 66 | 75.7 | 10.8 | 110.8 | H609 A613 L635 E636 F641 C642 N643 | H609-R639 HydrophobicContact CB-CB 4.44Å; A613-R639 HydrophobicContact CB-CB 4.09Å; L635-R639 PolarHBondContact O-N 3.42Å; E636-R639 PolarHBondContact O-N 3.23Å; R639-F641 VanDerWaalsContact C-N 3.33Å; R639-C642 PolarHBondContact O-N 3.04Å; R639-N643 PolarHBondContact NH1-ND2 3.46Å; R639-N643 PolarHBondContact O-N 3.13Å; R639-N643 VanDerWaalsContact O-N 3.1Å; R639-N643 PolarHBondContact O-ND2 3.2Å; R639-N643 VanDerWaalsContact O-ND2 3.09Å |
| 640 | N | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.1 | -35.2 | 174.2 | -66.5 | -32 | 0 | 0 | 0 | 112.1 | E636 G637 Y638 N643 K644 W709 | E636-N640 PolarHBondContact O-N 3.17Å; E636-N640 PolarHBondContact O-ND2 3.08Å; G637-N640 CarbonylContact O-C 3.59Å; G637-N640 WeakPolarHBondContact O-CB 3.5Å; G637-N640 PolarHBondContact O-N 2.8Å; Y638-N640 VanDerWaalsContact C-N 3.31Å; N640-N643 WeakPolarHBondContact O-CB 3.4Å; N640-N643 PolarHBondContact O-N 2.84Å; N640-K644 WeakPolarHBondContact O-CB 3.46Å; N640-K644 PolarHBondContact O-N 3.13Å; N640-W709 HydrophobicContact CB-CH2 4.48Å |
| 641 | F | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 172.7 | 176.8 | -96.9 | 0 | 0 | 0 | 112.3 | F616 G637 Y638 R639 N643 K644 L645 Y705 T708 W709 I754 | F616-F641 HydrophobicContact CD2-CD1 4.14Å; F616-F641 AromaticContact CD2-CE1 3.88Å; F616-F641 HydrophobicContact CD2-CE1 3.88Å; F616-F641 AromaticContact CE2-CD1 3.99Å; F616-F641 HydrophobicContact CE2-CD1 3.99Å; F616-F641 AromaticContact CE2-CE1 3.41Å; F616-F641 HydrophobicContact CE2-CE1 3.41Å; F616-F641 VanDerWaalsContact CE2-CE1 3.41Å; F616-F641 AromaticContact CE2-CZ 3.87Å; F616-F641 HydrophobicContact CE2-CZ 3.87Å; F616-F641 HydrophobicContact CZ-CD1 4.43Å; F616-F641 HydrophobicContact CZ-CE1 4.01Å; F616-F641 HydrophobicContact CZ-CZ 4.15Å; G637-F641 PolarHBondContact O-N 2.91Å; Y638-F641 HydrophobicContact CD1-CB 4.29Å; Y638-F641 WeakPolarHBondContact O-CB 3.5Å; Y638-F641 PolarHBondContact O-N 2.81Å; R639-F641 VanDerWaalsContact C-N 3.33Å; F641-N643 VanDerWaalsContact C-N 3.32Å; F641-N643 PolarHBondContact O-N 3.25Å; F641-K644 WeakPolarHBondContact O-CB 3.31Å; F641-K644 PolarHBondContact O-N 3.26Å; F641-L645 PolarHBondContact O-N 3.47Å; F641-Y705 HydrophobicContact CB-CD2 4.44Å; F641-Y705 HydrophobicContact CB-CE2 4.29Å; F641-Y705 AromaticContact CD2-CD2 3.34Å; F641-Y705 HydrophobicContact CD2-CD2 3.34Å; F641-Y705 AromaticContact CD2-CE2 3.65Å; F641-Y705 HydrophobicContact CD2-CE2 3.65Å; F641-Y705 HydrophobicContact CD2-CG 4.28Å; F641-Y705 AromaticContact CE2-CD2 3.77Å; F641-Y705 HydrophobicContact CE2-CD2 3.77Å; F641-Y705 HydrophobicContact CE2-CE2 4.44Å; F641-Y705 HydrophobicContact CE2-CG 4.31Å; F641-Y705 HydrophobicContact CG-CD2 4.06Å; F641-Y705 HydrophobicContact CG-CE2 4.32Å; F641-T708 HydrophobicContact CE2-CG2 3.76Å; F641-T708 HydrophobicContact CZ-CG2 3.73Å; F641-W709 HydrophobicContact CB-CE3 4.4Å; F641-W709 HydrophobicContact CB-CZ3 4.42Å; F641-W709 HydrophobicContact CD2-CE3 4Å; F641-I754 HydrophobicContact CE1-CD1 4.18Å |
| 642 | C | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 174.6 | -68 | 0 | 0 | 0 | 0 | 111.7 | Y5 Y638 R639 K644 L645 W646 I757 | Y5-C642 HydrophobicContact CD1-CB 4.35Å; Y5-C642 HydrophobicContact CE1-CB 3.71Å; Y638-C642 PolarHBondContact O-N 2.74Å; Y638-C642 PolarHBondContact O-SG 3.14Å; Y638-C642 VanDerWaalsContact O-SG 3.41Å; R639-C642 PolarHBondContact O-N 3.04Å; C642-K644 VanDerWaalsContact C-N 3.31Å; C642-K644 PolarHBondContact O-N 3.37Å; C642-L645 PolarHBondContact O-N 3.01Å; C642-W646 PolarHBondContact O-N 3.04Å; C642-I757 HydrophobicContact CB-CD1 3.93Å; C642-I757 VanDerWaalsContact O-CD1 3.23Å; C642-I757 WeakPolarHBondContact O-CD1 3.5Å |
| 643 | N | 96.6 | Very high | 97 | Very high | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 173.8 | -77.8 | -48.1 | 0 | 0 | 0 | 112.8 | Y5 R639 N640 F641 W646 N647 | Y5-N643 WeakPolarHBondContact CB-OD1 3.47Å; Y5-N643 WeakPolarHBondContact CD1-OD1 3.28Å; R639-N643 PolarHBondContact NH1-ND2 3.46Å; R639-N643 PolarHBondContact O-N 3.13Å; R639-N643 VanDerWaalsContact O-N 3.1Å; R639-N643 PolarHBondContact O-ND2 3.2Å; R639-N643 VanDerWaalsContact O-ND2 3.09Å; N640-N643 WeakPolarHBondContact O-CB 3.4Å; N640-N643 PolarHBondContact O-N 2.84Å; F641-N643 VanDerWaalsContact C-N 3.32Å; F641-N643 PolarHBondContact O-N 3.25Å; N643-W646 PolarHBondContact O-N 2.88Å; N643-N647 PolarHBondContact O-N 2.91Å; N643-N647 PolarHBondContact O-ND2 3.18Å |
| 644 | K | 96.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 26% | 0.261 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.7 | -47.3 | 177.8 | -173.5 | 82.8 | 179.6 | -155.1 | 0 | 110.7 | N640 F641 C642 W646 N647 A648 W709 C713 D714 | N640-K644 WeakPolarHBondContact O-CB 3.46Å; N640-K644 PolarHBondContact O-N 3.13Å; F641-K644 WeakPolarHBondContact O-CB 3.31Å; F641-K644 PolarHBondContact O-N 3.26Å; C642-K644 VanDerWaalsContact C-N 3.31Å; C642-K644 PolarHBondContact O-N 3.37Å; K644-W646 VanDerWaalsContact C-N 3.34Å; K644-W646 PolarHBondContact O-N 3.33Å; K644-N647 PolarHBondContact O-N 3.49Å; K644-A648 WeakPolarHBondContact O-CB 3.47Å; K644-A648 PolarHBondContact O-N 2.94Å; K644-W709 HydrophobicContact CB-CE3 3.73Å; K644-W709 HydrophobicContact CB-CH2 4.31Å; K644-W709 HydrophobicContact CB-CZ3 3.6Å; K644-W709 HydrophobicContact CD-CD2 4.42Å; K644-W709 HydrophobicContact CD-CE3 4.37Å; K644-W709 HydrophobicContact CD-CH2 4.36Å; K644-W709 HydrophobicContact CD-CZ2 4.38Å; K644-W709 HydrophobicContact CD-CZ3 4.35Å; K644-W709 HydrophobicContact CG-CD2 4.1Å; K644-W709 HydrophobicContact CG-CE3 3.76Å; K644-W709 HydrophobicContact CG-CH2 4.5Å; K644-W709 HydrophobicContact CG-CZ3 3.99Å; K644-C713 HydrophobicContact CD-CB 4.38Å; K644-C713 HydrophobicContact CG-CB 4.19Å; K644-D714 IonicContact NZ-OD1 3.08Å; K644-D714 PolarHBondContact NZ-OD1 3.31Å |
| 645 | L | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -44 | 175.7 | 177.7 | 60.6 | 0 | 0 | 0 | 111.5 | F641 C642 N647 A648 S649 T708 L746 I754 I757 I761 | F641-L645 PolarHBondContact O-N 3.47Å; C642-L645 PolarHBondContact O-N 3.01Å; L645-N647 PolarHBondContact O-N 2.82Å; L645-A648 PolarHBondContact O-N 3.48Å; L645-S649 WeakPolarHBondContact O-CB 3.23Å; L645-S649 PolarHBondContact O-N 2.96Å; L645-S649 PolarHBondContact O-OG 3.32Å; L645-T708 HydrophobicContact CB-CG2 4.45Å; L645-T708 HydrophobicContact CD1-CG2 4.06Å; L645-L746 HydrophobicContact CD1-CD2 4.29Å; L645-I754 HydrophobicContact CD2-CD1 3.86Å; L645-I757 HydrophobicContact CD2-CG2 4.26Å; L645-I761 HydrophobicContact CG-CD1 4.24Å |
| 646 | W | 98.1 | Very high | 97 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.5 | -49.8 | 175.8 | -176.6 | -97.1 | 0 | 0 | 0 | 112.1 | M1 E2 Y5 C642 N643 K644 S649 R650 I757 T760 I761 | M1-W646 HydrophobicContact CB-CZ2 4.07Å; M1-W646 HydrophobicContact CE-CD2 3.46Å; M1-W646 VanDerWaalsContact CE-CD2 3.46Å; M1-W646 HydrophobicContact CE-CE3 3.51Å; M1-W646 HydrophobicContact CE-CG 4.17Å; M1-W646 HydrophobicContact CE-CH2 3.73Å; M1-W646 HydrophobicContact CE-CZ2 3.68Å; M1-W646 HydrophobicContact CE-CZ3 3.64Å; M1-W646 HydrophobicContact CG-CH2 4.34Å; M1-W646 HydrophobicContact CG-CZ2 4.26Å; E2-W646 PolarHBondContact O-NE1 3.29Å; Y5-W646 AromaticContact CD2-CD2 3.93Å; Y5-W646 HydrophobicContact CD2-CD2 3.93Å; Y5-W646 AromaticContact CD2-CE3 3.68Å; Y5-W646 HydrophobicContact CD2-CE3 3.68Å; Y5-W646 HydrophobicContact CD2-CG 4.35Å; Y5-W646 HydrophobicContact CD2-CZ3 4.11Å; Y5-W646 HydrophobicContact CE2-CE3 4.36Å; Y5-W646 HydrophobicContact CG-CB 4.29Å; Y5-W646 HydrophobicContact CG-CD2 4.29Å; Y5-W646 HydrophobicContact CG-CE3 4.44Å; Y5-W646 HydrophobicContact CG-CG 4.25Å; C642-W646 PolarHBondContact O-N 3.04Å; N643-W646 PolarHBondContact O-N 2.88Å; K644-W646 VanDerWaalsContact C-N 3.34Å; K644-W646 PolarHBondContact O-N 3.33Å; W646-S649 PolarHBondContact O-N 3.02Å; W646-R650 WeakPolarHBondContact O-CG 3.49Å; W646-R650 PolarHBondContact O-N 2.88Å; W646-I757 HydrophobicContact CB-CD1 4.33Å; W646-I757 HydrophobicContact CE3-CD1 4.49Å; W646-I757 HydrophobicContact CE3-CG1 4.18Å; W646-T760 HydrophobicContact CH2-CG2 4.35Å; W646-T760 HydrophobicContact CZ3-CG2 4.06Å; W646-I761 HydrophobicContact CE3-CD1 4.24Å; W646-I761 HydrophobicContact CE3-CG1 4.07Å; W646-I761 HydrophobicContact CZ3-CG1 4.26Å |
| 647 | N | 97.5 | Very high | 96.8 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 43% | 0.433 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.6 | -38.4 | -179.5 | -73.2 | -39.8 | 0 | 0 | 0 | 112.8 | N643 K644 L645 S649 R650 F651 | N643-N647 PolarHBondContact O-N 2.91Å; N643-N647 PolarHBondContact O-ND2 3.18Å; K644-N647 PolarHBondContact O-N 3.49Å; L645-N647 PolarHBondContact O-N 2.82Å; N647-S649 VanDerWaalsContact C-N 3.34Å; N647-R650 WeakPolarHBondContact O-CB 3.44Å; N647-R650 PolarHBondContact O-N 2.92Å; N647-F651 PolarHBondContact O-N 2.8Å |
| 648 | A | 97.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K644 L645 R650 F651 V652 F712 C713 L717 | K644-A648 WeakPolarHBondContact O-CB 3.47Å; K644-A648 PolarHBondContact O-N 2.94Å; L645-A648 PolarHBondContact O-N 3.48Å; A648-R650 VanDerWaalsContact C-N 3.35Å; A648-R650 PolarHBondContact O-N 3.41Å; A648-F651 WeakPolarHBondContact O-CB 3.31Å; A648-F651 PolarHBondContact O-N 2.83Å; A648-F651 VanDerWaalsContact O-N 3.13Å; A648-V652 WeakPolarHBondContact O-CG2 3.39Å; A648-V652 PolarHBondContact O-N 2.92Å; A648-F712 HydrophobicContact CB-CE1 4.27Å; A648-C713 WeakPolarHBondContact CB-SG 3.37Å; A648-L717 HydrophobicContact CB-CD1 3.77Å |
| 649 | S | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | L645 W646 N647 F651 V652 L653 L743 | L645-S649 WeakPolarHBondContact O-CB 3.23Å; L645-S649 PolarHBondContact O-N 2.96Å; L645-S649 PolarHBondContact O-OG 3.32Å; W646-S649 PolarHBondContact O-N 3.02Å; N647-S649 VanDerWaalsContact C-N 3.34Å; S649-F651 VanDerWaalsContact C-N 3.34Å; S649-F651 PolarHBondContact O-N 3.3Å; S649-V652 PolarHBondContact O-N 3.06Å; S649-L653 WeakPolarHBondContact O-CB 3.38Å; S649-L653 VanDerWaalsContact O-CG 3.3Å; S649-L653 WeakPolarHBondContact O-CG 3.44Å; S649-L653 PolarHBondContact O-N 3.09Å; S649-L743 WeakPolarHBondContact OG-CD1 3.31Å |
| 650 | R | 97 | Very high | 96 | Very high | 75 Ų | 75 | 45 Ų | 45 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 170.9 | -73.7 | 178.1 | 59.2 | 74.5 | 12.7 | 112.1 | M1 E2 W646 N647 A648 M654 | M1-R650 VanDerWaalsContact C-NH1 3.26Å; M1-R650 HydrophobicContact CB-CG 4.15Å; M1-R650 HydrophobicContact CE-CG 3.9Å; M1-R650 PolarHBondContact O-NH1 3.45Å; M1-R650 HydrophobicContact SD-CG 4.17Å; E2-R650 WeakPolarHBondContact O-CD 3.45Å; E2-R650 PolarHBondContact O-NH1 2.94Å; W646-R650 WeakPolarHBondContact O-CG 3.49Å; W646-R650 PolarHBondContact O-N 2.88Å; N647-R650 WeakPolarHBondContact O-CB 3.44Å; N647-R650 PolarHBondContact O-N 2.92Å; A648-R650 VanDerWaalsContact C-N 3.35Å; A648-R650 PolarHBondContact O-N 3.41Å; R650-M654 VanDerWaalsContact O-CB 3.22Å; R650-M654 WeakPolarHBondContact O-CB 3.44Å; R650-M654 PolarHBondContact O-N 3.45Å |
| 651 | F | 96 | Very high | 95.9 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.4 | 171.6 | -89.7 | 0 | 0 | 0 | 110.8 | N647 A648 S649 M654 N655 L717 | N647-F651 PolarHBondContact O-N 2.8Å; A648-F651 WeakPolarHBondContact O-CB 3.31Å; A648-F651 PolarHBondContact O-N 2.83Å; A648-F651 VanDerWaalsContact O-N 3.13Å; S649-F651 VanDerWaalsContact C-N 3.34Å; S649-F651 PolarHBondContact O-N 3.3Å; F651-M654 PolarHBondContact O-N 3.38Å; F651-N655 PolarHBondContact O-N 3.29Å; F651-N655 PolarHBondContact O-ND2 3.02Å; F651-L717 HydrophobicContact CD1-CB 4.4Å; F651-L717 HydrophobicContact CD1-CD1 4.05Å; F651-L717 HydrophobicContact CD1-CD2 3.78Å; F651-L717 HydrophobicContact CD1-CG 4.28Å; F651-L717 HydrophobicContact CE1-CB 4.25Å; F651-L717 HydrophobicContact CE1-CD2 3.94Å |
| 652 | V | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -57.6 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | A648 S649 M654 N655 T656 F712 L717 L739 L743 | A648-V652 WeakPolarHBondContact O-CG2 3.39Å; A648-V652 PolarHBondContact O-N 2.92Å; S649-V652 PolarHBondContact O-N 3.06Å; V652-M654 VanDerWaalsContact C-N 3.29Å; V652-M654 PolarHBondContact O-N 3.08Å; V652-N655 CarbonylContact O-C 3.44Å; V652-N655 PolarHBondContact O-N 3.07Å; V652-T656 HydrophobicContact CG1-CG2 4.14Å; V652-T656 WeakPolarHBondContact O-CG2 3.32Å; V652-T656 PolarHBondContact O-N 2.82Å; V652-T656 VanDerWaalsContact O-N 3.11Å; V652-T656 PolarHBondContact O-OG1 2.78Å; V652-F712 HydrophobicContact CG2-CZ 4.06Å; V652-L717 HydrophobicContact CG2-CD2 4.22Å; V652-L739 HydrophobicContact CG1-CB 4.07Å; V652-L739 HydrophobicContact CG2-CB 4.44Å; V652-L739 HydrophobicContact CG2-CD2 3.94Å; V652-L743 HydrophobicContact CB-CD2 3.74Å; V652-L743 HydrophobicContact CG1-CD2 3.69Å; V652-L743 HydrophobicContact CG2-CD2 4.03Å |
| 653 | L | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -38.8 | -176.9 | -68.6 | 175.7 | 0 | 0 | 0 | 112.7 | M1 S649 N655 T656 E657 R764 V765 L768 | M1-L653 HydrophobicContact CG-CD1 4.47Å; M1-L653 HydrophobicContact SD-CD1 3.34Å; M1-L653 WeakPolarHBondContact SD-CD1 3.46Å; S649-L653 WeakPolarHBondContact O-CB 3.38Å; S649-L653 VanDerWaalsContact O-CG 3.3Å; S649-L653 WeakPolarHBondContact O-CG 3.44Å; S649-L653 PolarHBondContact O-N 3.09Å; L653-N655 PolarHBondContact O-N 3.34Å; L653-T656 WeakPolarHBondContact CA-OG1 3.41Å; L653-T656 PolarHBondContact O-N 2.68Å; L653-E657 HydrophobicContact CB-CG 4.16Å; L653-E657 HydrophobicContact CD2-CG 4.2Å; L653-E657 VanDerWaalsContact O-CB 3.23Å; L653-E657 WeakPolarHBondContact O-CB 3.34Å; L653-E657 VanDerWaalsContact O-CG 3.29Å; L653-E657 WeakPolarHBondContact O-CG 3.42Å; L653-E657 PolarHBondContact O-N 3.03Å; L653-R764 HydrophobicContact CD1-CB 3.98Å; L653-R764 HydrophobicContact CD2-CB 4.45Å; L653-V765 HydrophobicContact CD2-CG2 3.99Å; L653-L768 HydrophobicContact CD2-CD1 3.69Å |
| 654 | M | 95 | Very high | 95 | Very high | 137 Ų | 137 | 52.1 Ų | 52.1 | 68% | 0.675 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.2 | -25.6 | 176.8 | -174.5 | 179.9 | 72.1 | 0 | 0 | 113.2 | R650 F651 V652 | R650-M654 VanDerWaalsContact O-CB 3.22Å; R650-M654 WeakPolarHBondContact O-CB 3.44Å; R650-M654 PolarHBondContact O-N 3.45Å; F651-M654 PolarHBondContact O-N 3.38Å; V652-M654 VanDerWaalsContact C-N 3.29Å; V652-M654 PolarHBondContact O-N 3.08Å |
| 655 | N | 94.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -100.2 | -3.8 | -179.8 | -70.8 | -79.3 | 0 | 0 | 0 | 113.5 | F651 V652 L653 M724 R736 | F651-N655 PolarHBondContact O-N 3.29Å; F651-N655 PolarHBondContact O-ND2 3.02Å; V652-N655 CarbonylContact O-C 3.44Å; V652-N655 PolarHBondContact O-N 3.07Å; L653-N655 PolarHBondContact O-N 3.34Å; N655-M724 HydrophobicContact CB-CE 3.93Å; N655-M724 HydrophobicContact CB-SD 4.48Å; N655-R736 PolarHBondContact O-NE 3.29Å |
| 656 | T | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -126.7 | -31.2 | -173.4 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | V652 L653 D658 Q659 C661 R736 V740 L768 | V652-T656 HydrophobicContact CG1-CG2 4.14Å; V652-T656 WeakPolarHBondContact O-CG2 3.32Å; V652-T656 PolarHBondContact O-N 2.82Å; V652-T656 VanDerWaalsContact O-N 3.11Å; V652-T656 PolarHBondContact O-OG1 2.78Å; L653-T656 WeakPolarHBondContact CA-OG1 3.41Å; L653-T656 PolarHBondContact O-N 2.68Å; T656-D658 PolarHBondContact O-N 2.92Å; T656-Q659 PolarHBondContact O-N 3Å; T656-Q659 VanDerWaalsContact O-N 3.15Å; T656-C661 PolarHBondContact O-SG 2.82Å; T656-C661 VanDerWaalsContact O-SG 3.41Å; T656-R736 HydrophobicContact CG2-CB 4.2Å; T656-R736 HydrophobicContact CG2-CG 4.19Å; T656-V740 HydrophobicContact CG2-CG2 3.65Å; T656-L768 VanDerWaalsContact OG1-CD1 3.3Å; T656-L768 WeakPolarHBondContact OG1-CD1 3.39Å |
| 657 | E | 92.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 59.9 Ų | 59.9 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 135.2 | 172.1 | -70.1 | 179.7 | 166.3 | 0 | 0 | 109.4 | L653 Q659 R764 L768 | L653-E657 HydrophobicContact CB-CG 4.16Å; L653-E657 HydrophobicContact CD2-CG 4.2Å; L653-E657 VanDerWaalsContact O-CB 3.23Å; L653-E657 WeakPolarHBondContact O-CB 3.34Å; L653-E657 VanDerWaalsContact O-CG 3.29Å; L653-E657 WeakPolarHBondContact O-CG 3.42Å; L653-E657 PolarHBondContact O-N 3.03Å; E657-Q659 PolarHBondContact O-N 3.06Å; E657-R764 IonicContact OE1-CZ 3.26Å; E657-R764 IonicContact OE1-NE 3.41Å; E657-R764 PolarHBondContact OE1-NE 2.84Å; E657-R764 IonicContact OE1-NH1 3.86Å; E657-R764 PolarHBondContact OE1-NH1 3.29Å; E657-R764 VanDerWaalsContact OE1-NH1 3.13Å; E657-R764 IonicContact OE1-NH2 2.75Å; E657-R764 PolarHBondContact OE1-NH2 3.11Å; E657-R764 IonicContact OE2-CZ 3.83Å; E657-R764 IonicContact OE2-NH1 3.53Å; E657-R764 PolarHBondContact OE2-NH1 3.45Å; E657-R764 IonicContact OE2-NH2 2.88Å; E657-R764 PolarHBondContact OE2-NH2 3.18Å; E657-L768 HydrophobicContact CG-CD2 4.41Å |
| 658 | D | 91 | Very high | 94.1 | Very high | 164 Ų | 164 | 59.8 Ų | 59.8 | 88% | 0.877 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 15.2 | -175 | -48.3 | -45.9 | 0 | 0 | 0 | 115.6 | T656 | T656-D658 PolarHBondContact O-N 2.92Š|
| 659 | Q | 92.8 | Very high | 94.1 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -116.7 | 154.1 | 178.4 | -58.7 | -59.6 | -48.2 | 0 | 0 | 112.3 | T656 E657 C661 | T656-Q659 PolarHBondContact O-N 3Å; T656-Q659 VanDerWaalsContact O-N 3.15Å; E657-Q659 PolarHBondContact O-N 3.06Å; Q659-C661 PolarHBondContact O-N 2.84Å; Q659-C661 PolarHBondContact O-SG 2.69Å |
| 660 | D | 92.9 | Very high | 94 | Very high | 69 Ų | 69 | 65.7 Ų | 65.7 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | trans | -69.8 | 112.8 | 168.2 | -179.1 | 9.2 | 0 | 0 | 0 | 110.2 | G662 R733 R736 | D660-G662 PolarHBondContact OD1-N 2.94Å; D660-R733 IonicContact OD1-NE 2.8Å; D660-R733 IonicContact OD2-CZ 3.6Å; D660-R733 VanDerWaalsContact OD2-CZ 3.26Å; D660-R733 IonicContact OD2-NE 3.27Å; D660-R733 PolarHBondContact OD2-NE 3.2Å; D660-R733 IonicContact OD2-NH2 2.93Å; D660-R733 PolarHBondContact OD2-NH2 2.71Å; D660-R736 WeakPolarHBondContact O-CD 3.37Å | ||
| 661 | C | 94.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | trans | -107.1 | 13.8 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | T656 Q659 F663 R736 H737 | T656-C661 PolarHBondContact O-SG 2.82Å; T656-C661 VanDerWaalsContact O-SG 3.41Å; Q659-C661 PolarHBondContact O-N 2.84Å; Q659-C661 PolarHBondContact O-SG 2.69Å; C661-F663 VanDerWaalsContact C-N 3.26Å; C661-F663 HydrophobicContact CB-CD2 3.77Å; C661-F663 HydrophobicContact CB-CE2 3.87Å; C661-F663 PolarHBondContact O-N 2.81Å; C661-F663 VanDerWaalsContact O-N 3.17Å; C661-R736 HydrophobicContact CB-CB 4.32Å; C661-H737 WeakPolarHBondContact O-CA 3.38Å; C661-H737 VanDerWaalsContact O-CB 3.29Å; C661-H737 WeakPolarHBondContact O-CB 3.19Å; C661-H737 PolarHBondContact O-ND1 2.83Å | ||
| 662 | G | 93.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 75.1 | -1.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | D660 N664 G665 | D660-G662 PolarHBondContact OD1-N 2.94Å; G662-N664 PolarHBondContact O-N 2.77Å; G662-G665 PolarHBondContact O-N 3.13Å |
| 663 | F | 91.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 31% | 0.311 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.4 | 178.9 | -68.1 | -75 | 0 | 0 | 0 | 114.2 | C661 H737 V740 L768 | C661-F663 VanDerWaalsContact C-N 3.26Å; C661-F663 HydrophobicContact CB-CD2 3.77Å; C661-F663 HydrophobicContact CB-CE2 3.87Å; C661-F663 PolarHBondContact O-N 2.81Å; C661-F663 VanDerWaalsContact O-N 3.17Å; F663-H737 AromaticContact CD1-CE1 3.91Å; F663-H737 AromaticContact CE1-CE1 3.58Å; F663-H737 AromaticContact CE1-ND1 3.82Å; F663-H737 AromaticContact CZ-CE1 4Å; F663-H737 AromaticContact CZ-ND1 3.84Å; F663-V740 HydrophobicContact CE2-CB 3.81Å; F663-V740 HydrophobicContact CE2-CG1 3.55Å; F663-V740 HydrophobicContact CE2-CG2 4.36Å; F663-V740 HydrophobicContact CZ-CB 3.92Å; F663-V740 HydrophobicContact CZ-CG1 3.59Å; F663-L768 WeakPolarHBondContact CD2-O 3.45Å |
| 664 | N | 88.9 | Confident | 93.8 | Very high | 169 Ų | 169 | 61.6 Ų | 61.6 | 90% | 0.904 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.7 | 172.9 | -64.3 | -46.6 | 0 | 0 | 0 | 112.8 | G662 | G662-N664 PolarHBondContact O-N 2.77Š|
| 665 | G | 89.9 | Confident | 93.9 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | trans | 90.8 | -171 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G662 | G662-G665 PolarHBondContact O-N 3.13Š| ||
| 666 | G | 91.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | trans | 110.8 | 157.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M668 | G666-M668 PolarHBondContact O-N 3.26Š| ||
| 667 | E | 95.3 | Very high | 94.2 | Very high | 146 Ų | 146 | 57.7 Ų | 57.7 | 68% | 0.682 | 32% | 0.315 | S | S | * | . | trans | -69.8 | 128.5 | -179.8 | -174.8 | 177.7 | -175.8 | 0 | 0 | 110.8 | A730 R733 | E667-A730 HydrophobicContact CB-CB 4.48Å; E667-A730 HydrophobicContact CG-CB 4.14Å; E667-A730 WeakPolarHBondContact O-CA 3.48Å; E667-R733 WeakPolarHBondContact O-CD 3.33Å; E667-R733 PolarHBondContact O-NH1 2.7Å | ||
| 668 | M | 96.6 | Very high | 94.5 | Very high | 78 Ų | 78 | 56.8 Ų | 56.8 | 38% | 0.384 | 31% | 0.312 | S | S | . | . | trans | -123.7 | 130 | 179.2 | -68 | -174.3 | -70 | 0 | 0 | 110 | G666 R733 H737 | G666-M668 PolarHBondContact O-N 3.26Å; M668-R733 HydrophobicContact CG-CB 4.3Å; M668-R733 HydrophobicContact CG-CG 3.77Å; M668-R733 HydrophobicContact SD-CG 4.33Å; M668-H737 HydrophobicContact SD-CB 3.72Å | ||
| 669 | T | 96.2 | Very high | 94.9 | Very high | 63 Ų | 63 | 49 Ų | 49 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | trans | -112.5 | 115.2 | 170 | -61.9 | 0 | 0 | 0 | 0 | 108.1 | A730 E731 | T669-A730 PolarHBondContact N-O 3.36Å; T669-E731 HydrophobicContact CG2-CG 4.02Å | ||
| 670 | L | 95.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.356 | 26% | 0.261 | S | S | . | . | trans | -86.3 | 128 | 178.8 | -60.8 | -173.8 | 0 | 0 | 0 | 110.2 | D674 R675 L678 | L670-D674 HydrophobicContact CB-CB 4.07Å; L670-D674 HydrophobicContact CD2-CB 4.19Å; L670-R675 HydrophobicContact CB-CG 4.04Å; L670-L678 HydrophobicContact CD1-CD1 4.15Å | ||
| 671 | S | 94.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | trans | -69 | 168 | 171.7 | 71 | 0 | 0 | 0 | 0 | 111.3 | A673 D674 R675 | S671-A673 PolarHBondContact O-N 2.65Å; S671-A673 PolarHBondContact OG-N 3.35Å; S671-D674 WeakPolarHBondContact CB-OD2 3.48Å; S671-D674 PolarHBondContact N-OD2 3.33Å; S671-D674 PolarHBondContact O-N 2.88Å; S671-D674 VanDerWaalsContact O-N 3.17Å; S671-D674 PolarHBondContact OG-N 2.96Å; S671-D674 PolarHBondContact OG-OD2 3.3Å; S671-R675 PolarHBondContact O-N 3.43Å | ||
| 672 | L | 95.1 | Very high | 95.6 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.7 | -40.8 | 170.6 | 174.9 | 62.2 | 0 | 0 | 0 | 111.4 | D674 R675 W676 A793 D796 L800 N840 | L672-D674 VanDerWaalsContact C-N 3.35Å; L672-D674 PolarHBondContact O-N 2.95Å; L672-R675 PolarHBondContact O-N 3.1Å; L672-W676 VanDerWaalsContact O-CB 3.23Å; L672-W676 WeakPolarHBondContact O-CB 3.35Å; L672-W676 PolarHBondContact O-N 2.76Å; L672-A793 HydrophobicContact CD1-CB 3.93Å; L672-D796 HydrophobicContact CD1-CB 3.97Å; L672-D796 HydrophobicContact CD2-CB 3.92Å; L672-L800 HydrophobicContact CD2-CD1 3.51Å; L672-N840 WeakPolarHBondContact CD2-ND2 3.38Å; L672-N840 VanDerWaalsContact CD2-OD1 3.29Å; L672-N840 WeakPolarHBondContact CD2-OD1 3.19Å |
| 673 | A | 95.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S671 W676 I677 Y716 L719 | S671-A673 PolarHBondContact O-N 2.65Å; S671-A673 PolarHBondContact OG-N 3.35Å; A673-W676 PolarHBondContact O-N 2.73Å; A673-I677 WeakPolarHBondContact O-CG2 3.32Å; A673-I677 PolarHBondContact O-N 2.97Å; A673-Y716 HydrophobicContact CB-CD2 4.32Å; A673-Y716 HydrophobicContact CB-CE2 4.33Å; A673-L719 HydrophobicContact CB-CB 3.69Å; A673-L719 HydrophobicContact CB-CD1 4.3Å; A673-L719 HydrophobicContact CB-CG 4.41Å |
| 674 | D | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -44.8 | 178.6 | -62.5 | -46.8 | 0 | 0 | 0 | 111.6 | L670 S671 L672 W676 I677 L678 Y716 T735 T738 | L670-D674 HydrophobicContact CB-CB 4.07Å; L670-D674 HydrophobicContact CD2-CB 4.19Å; S671-D674 WeakPolarHBondContact CB-OD2 3.48Å; S671-D674 PolarHBondContact N-OD2 3.33Å; S671-D674 PolarHBondContact O-N 2.88Å; S671-D674 VanDerWaalsContact O-N 3.17Å; S671-D674 PolarHBondContact OG-N 2.96Å; S671-D674 PolarHBondContact OG-OD2 3.3Å; L672-D674 VanDerWaalsContact C-N 3.35Å; L672-D674 PolarHBondContact O-N 2.95Å; D674-W676 VanDerWaalsContact C-N 3.34Å; D674-I677 WeakPolarHBondContact O-CG2 3Å; D674-L678 WeakPolarHBondContact O-CD1 3.38Å; D674-L678 VanDerWaalsContact O-CG 3.29Å; D674-L678 WeakPolarHBondContact O-CG 3.26Å; D674-L678 PolarHBondContact O-N 2.98Å; D674-Y716 WeakPolarHBondContact OD1-CE2 3.38Å; D674-Y716 PolarHBondContact OD1-OH 3.28Å; D674-T735 PolarHBondContact OD2-OG1 2.88Å; D674-T738 HydrophobicContact CB-CG2 4.07Å |
| 675 | R | 97.9 | Very high | 96.7 | Very high | 90 Ų | 90 | 36.2 Ų | 36.2 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 174 | -73.1 | 168.1 | 43.5 | -156 | -12.4 | 111.7 | L670 S671 L672 L678 A679 D790 A793 | L670-R675 HydrophobicContact CB-CG 4.04Å; S671-R675 PolarHBondContact O-N 3.43Å; L672-R675 PolarHBondContact O-N 3.1Å; R675-L678 PolarHBondContact O-N 3.27Å; R675-A679 PolarHBondContact O-N 3.3Å; R675-A679 VanDerWaalsContact O-N 3.12Å; R675-D790 IonicContact CZ-OD2 2.84Å; R675-D790 VanDerWaalsContact CZ-OD2 3.27Å; R675-D790 IonicContact NE-OD2 2.89Å; R675-D790 PolarHBondContact NE-OD2 2.98Å; R675-D790 IonicContact NH2-OD1 2.84Å; R675-D790 PolarHBondContact NH2-OD1 3.27Å; R675-D790 IonicContact NH2-OD2 2.82Å; R675-D790 PolarHBondContact NH2-OD2 2.88Å; R675-A793 HydrophobicContact CB-CB 3.86Å |
| 676 | W | 98 | Very high | 97.1 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -50.9 | 179.3 | 163 | 63.2 | 0 | 0 | 0 | 112.2 | L672 A673 D674 L678 A679 E680 Q711 W715 Y716 L719 A793 T797 | L672-W676 VanDerWaalsContact O-CB 3.23Å; L672-W676 WeakPolarHBondContact O-CB 3.35Å; L672-W676 PolarHBondContact O-N 2.76Å; A673-W676 PolarHBondContact O-N 2.73Å; D674-W676 VanDerWaalsContact C-N 3.34Å; W676-L678 VanDerWaalsContact C-N 3.27Å; W676-L678 PolarHBondContact O-N 3.49Å; W676-A679 PolarHBondContact O-N 2.75Å; W676-E680 HydrophobicContact CZ2-CB 4.41Å; W676-E680 HydrophobicContact CZ2-CG 4.22Å; W676-E680 WeakPolarHBondContact O-CB 3.3Å; W676-E680 PolarHBondContact O-N 2.81Å; W676-Q711 HydrophobicContact CH2-CB 4.14Å; W676-Q711 HydrophobicContact CZ2-CB 4.17Å; W676-W715 HydrophobicContact CH2-CB 3.91Å; W676-W715 HydrophobicContact CZ3-CB 4.22Å; W676-Y716 HydrophobicContact CZ3-CD2 4.45Å; W676-L719 HydrophobicContact CE3-CD1 4.17Å; W676-L719 HydrophobicContact CZ3-CD1 3.91Å; W676-A793 HydrophobicContact CB-CB 4.22Å; W676-T797 HydrophobicContact CB-CG2 4.22Å; W676-T797 VanDerWaalsContact CB-OG1 3.23Å; W676-T797 WeakPolarHBondContact CB-OG1 3.47Å; W676-T797 HydrophobicContact CD2-CG2 3.5Å; W676-T797 HydrophobicContact CE3-CG2 3.83Å; W676-T797 HydrophobicContact CG-CG2 3.61Å |
| 677 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -32 | -175.9 | -166.7 | 61.3 | 0 | 0 | 0 | 111.9 | A673 D674 F681 F707 Q711 F712 Y716 T738 V742 | A673-I677 WeakPolarHBondContact O-CG2 3.32Å; A673-I677 PolarHBondContact O-N 2.97Å; D674-I677 WeakPolarHBondContact O-CG2 3Å; I677-F681 WeakPolarHBondContact O-CB 3.36Å; I677-F681 PolarHBondContact O-N 3.48Å; I677-F707 HydrophobicContact CD1-CE2 3.72Å; I677-F707 HydrophobicContact CD1-CZ 3.82Å; I677-F707 HydrophobicContact CG1-CZ 4.35Å; I677-Q711 HydrophobicContact CD1-CB 4.47Å; I677-F712 HydrophobicContact CG1-CD2 4.42Å; I677-Y716 HydrophobicContact CB-CD1 4.28Å; I677-Y716 HydrophobicContact CB-CD2 3.65Å; I677-Y716 HydrophobicContact CB-CE2 4.02Å; I677-Y716 HydrophobicContact CB-CG 3.82Å; I677-Y716 HydrophobicContact CD1-CG 4.24Å; I677-Y716 HydrophobicContact CG1-CD1 3.89Å; I677-Y716 HydrophobicContact CG1-CD2 4.11Å; I677-Y716 HydrophobicContact CG1-CE1 4.4Å; I677-Y716 HydrophobicContact CG1-CG 3.72Å; I677-Y716 HydrophobicContact CG2-CD1 4.12Å; I677-Y716 HydrophobicContact CG2-CD2 3.59Å; I677-Y716 HydrophobicContact CG2-CE1 3.89Å; I677-Y716 HydrophobicContact CG2-CE2 3.38Å; I677-Y716 HydrophobicContact CG2-CG 3.98Å; I677-T738 HydrophobicContact CG2-CG2 3.55Å; I677-V742 HydrophobicContact CG1-CG1 4.13Å; I677-V742 HydrophobicContact CG1-CG2 4.33Å; I677-V742 HydrophobicContact CG2-CG2 4.08Å |
| 678 | L | 98.4 | Very high | 97.6 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 18% | 0.178 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 174 | -72.2 | 168.4 | 0 | 0 | 0 | 110.9 | L670 D674 R675 W676 F681 N682 T738 T741 V742 | L670-L678 HydrophobicContact CD1-CD1 4.15Å; D674-L678 WeakPolarHBondContact O-CD1 3.38Å; D674-L678 VanDerWaalsContact O-CG 3.29Å; D674-L678 WeakPolarHBondContact O-CG 3.26Å; D674-L678 PolarHBondContact O-N 2.98Å; R675-L678 PolarHBondContact O-N 3.27Å; W676-L678 VanDerWaalsContact C-N 3.27Å; W676-L678 PolarHBondContact O-N 3.49Å; L678-F681 PolarHBondContact O-N 3.24Å; L678-N682 VanDerWaalsContact O-CB 3.31Å; L678-N682 WeakPolarHBondContact O-CB 3.37Å; L678-N682 PolarHBondContact O-N 3.19Å; L678-T738 HydrophobicContact CD1-CG2 4.13Å; L678-T738 HydrophobicContact CD2-CG2 4.1Å; L678-T738 HydrophobicContact CG-CG2 3.82Å; L678-T741 HydrophobicContact CD2-CG2 4.48Å; L678-V742 HydrophobicContact CD2-CG2 3.9Å |
| 679 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R675 W676 N682 Q683 Q788 D790 L794 | R675-A679 PolarHBondContact O-N 3.3Å; R675-A679 VanDerWaalsContact O-N 3.12Å; W676-A679 PolarHBondContact O-N 2.75Å; A679-N682 WeakPolarHBondContact O-CB 3.13Å; A679-N682 PolarHBondContact O-N 3.31Å; A679-Q683 WeakPolarHBondContact O-CG 3.43Å; A679-Q683 PolarHBondContact O-N 3.4Å; A679-Q788 WeakPolarHBondContact CA-O 3.49Å; A679-D790 HydrophobicContact CB-CB 4.13Å; A679-L794 HydrophobicContact CB-CD1 4.2Å; A679-L794 HydrophobicContact CB-CD2 4.21Å; A679-L794 HydrophobicContact CB-CG 4.05Å |
| 680 | E | 98.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 31.2 Ų | 31.2 | 23% | 0.229 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 177.1 | -174.2 | 65.5 | -162.3 | 0 | 0 | 111.6 | W676 N682 Q683 T684 F707 Q711 L794 | W676-E680 HydrophobicContact CZ2-CB 4.41Å; W676-E680 HydrophobicContact CZ2-CG 4.22Å; W676-E680 WeakPolarHBondContact O-CB 3.3Å; W676-E680 PolarHBondContact O-N 2.81Å; E680-N682 VanDerWaalsContact C-N 3.34Å; E680-N682 PolarHBondContact O-N 3.09Å; E680-Q683 PolarHBondContact O-N 3.03Å; E680-T684 WeakPolarHBondContact O-CB 3.4Å; E680-T684 PolarHBondContact O-N 3.23Å; E680-T684 PolarHBondContact O-OG1 3.01Å; E680-F707 HydrophobicContact CB-CE2 4.45Å; E680-F707 HydrophobicContact CG-CD2 4.12Å; E680-F707 HydrophobicContact CG-CE2 4.09Å; E680-Q711 HydrophobicContact CG-CB 4.29Å; E680-Q711 HydrophobicContact CG-CG 4.12Å; E680-L794 HydrophobicContact CB-CD2 4.31Å; E680-L794 WeakPolarHBondContact OE2-CD2 3.44Å |
| 681 | F | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 5% | 0.053 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 176.9 | -174.8 | -124.1 | 0 | 0 | 0 | 111.3 | I677 L678 Q683 T684 I685 F707 V742 L746 L749 | I677-F681 WeakPolarHBondContact O-CB 3.36Å; I677-F681 PolarHBondContact O-N 3.48Å; L678-F681 PolarHBondContact O-N 3.24Å; F681-Q683 PolarHBondContact O-N 3.32Å; F681-T684 WeakPolarHBondContact O-CB 3.25Å; F681-T684 PolarHBondContact O-N 3.23Å; F681-T684 VanDerWaalsContact O-N 3.15Å; F681-I685 HydrophobicContact CD1-CD1 3.86Å; F681-I685 HydrophobicContact CD1-CG1 4.48Å; F681-I685 HydrophobicContact CE1-CD1 3.58Å; F681-I685 HydrophobicContact CE1-CG1 4.15Å; F681-I685 HydrophobicContact CE2-CG1 4.25Å; F681-I685 HydrophobicContact CG-CD1 4.45Å; F681-I685 HydrophobicContact CZ-CD1 3.93Å; F681-I685 HydrophobicContact CZ-CG1 3.99Å; F681-I685 VanDerWaalsContact O-CG1 3.32Å; F681-I685 WeakPolarHBondContact O-CG1 3.34Å; F681-I685 PolarHBondContact O-N 3.42Å; F681-F707 HydrophobicContact CB-CE2 3.73Å; F681-F707 HydrophobicContact CB-CZ 3.6Å; F681-F707 HydrophobicContact CD2-CD1 4.1Å; F681-F707 AromaticContact CD2-CE1 3.42Å; F681-F707 HydrophobicContact CD2-CE1 3.42Å; F681-F707 VanDerWaalsContact CD2-CE1 3.42Å; F681-F707 AromaticContact CD2-CE2 3.9Å; F681-F707 HydrophobicContact CD2-CE2 3.9Å; F681-F707 AromaticContact CD2-CZ 3.31Å; F681-F707 HydrophobicContact CD2-CZ 3.31Å; F681-F707 AromaticContact CE2-CE1 4Å; F681-F707 HydrophobicContact CE2-CE1 4Å; F681-F707 HydrophobicContact CE2-CZ 4.31Å; F681-F707 HydrophobicContact CG-CE1 4.3Å; F681-F707 HydrophobicContact CG-CE2 4.29Å; F681-F707 AromaticContact CG-CZ 3.79Å; F681-F707 HydrophobicContact CG-CZ 3.79Å; F681-V742 HydrophobicContact CG-CG1 4.38Å; F681-L746 HydrophobicContact CE2-CB 4.22Å; F681-L749 HydrophobicContact CE2-CD2 3.96Å |
| 682 | N | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.3 | -172.9 | 41.4 | 0 | 0 | 0 | 112.3 | L678 A679 E680 I685 K686 Y784 D785 Q788 | L678-N682 VanDerWaalsContact O-CB 3.31Å; L678-N682 WeakPolarHBondContact O-CB 3.37Å; L678-N682 PolarHBondContact O-N 3.19Å; A679-N682 WeakPolarHBondContact O-CB 3.13Å; A679-N682 PolarHBondContact O-N 3.31Å; E680-N682 VanDerWaalsContact C-N 3.34Å; E680-N682 PolarHBondContact O-N 3.09Å; N682-I685 PolarHBondContact O-N 3.13Å; N682-K686 PolarHBondContact O-N 2.74Å; N682-Y784 VanDerWaalsContact ND2-CE2 3.33Å; N682-Y784 WeakPolarHBondContact ND2-CE2 3.49Å; N682-Y784 WeakPolarHBondContact OD1-CA 3.44Å; N682-Y784 VanDerWaalsContact OD1-CD2 3.3Å; N682-Y784 WeakPolarHBondContact OD1-CD2 3.32Å; N682-D785 PolarHBondContact ND2-O 2.85Å; N682-D785 PolarHBondContact OD1-N 3.42Å; N682-Q788 HydrophobicContact CB-CB 4.19Å |
| 683 | Q | 98.3 | Very high | 98.2 | Very high | 69 Ų | 69 | 31.1 Ų | 31.1 | 32% | 0.322 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 172.7 | -65.5 | -61.6 | -14 | 0 | 0 | 112.3 | A679 E680 F681 I685 K686 A687 | A679-Q683 WeakPolarHBondContact O-CG 3.43Å; A679-Q683 PolarHBondContact O-N 3.4Å; E680-Q683 PolarHBondContact O-N 3.03Å; F681-Q683 PolarHBondContact O-N 3.32Å; Q683-I685 PolarHBondContact O-N 2.91Å; Q683-K686 PolarHBondContact O-N 2.89Å; Q683-A687 PolarHBondContact O-N 3.38Å |
| 684 | T | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | E680 F681 K686 A687 Y688 I703 F707 L749 | E680-T684 WeakPolarHBondContact O-CB 3.4Å; E680-T684 PolarHBondContact O-N 3.23Å; E680-T684 PolarHBondContact O-OG1 3.01Å; F681-T684 WeakPolarHBondContact O-CB 3.25Å; F681-T684 PolarHBondContact O-N 3.23Å; F681-T684 VanDerWaalsContact O-N 3.15Å; T684-K686 VanDerWaalsContact C-N 3.32Å; T684-K686 PolarHBondContact O-N 2.89Å; T684-A687 PolarHBondContact O-N 3.03Å; T684-Y688 WeakPolarHBondContact O-CB 3.44Å; T684-Y688 PolarHBondContact O-N 2.82Å; T684-I703 HydrophobicContact CG2-CG2 3.72Å; T684-F707 HydrophobicContact CG2-CB 3.61Å; T684-F707 HydrophobicContact CG2-CD1 4.41Å; T684-F707 HydrophobicContact CG2-CD2 4.09Å; T684-F707 HydrophobicContact CG2-CG 3.77Å; T684-F707 WeakPolarHBondContact OG1-CD2 3.4Å; T684-L749 HydrophobicContact CG2-CD2 3.97Å |
| 685 | I | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57 | -48 | 176.3 | -69.2 | 163.6 | 0 | 0 | 0 | 110.3 | F681 N682 Q683 Y688 R689 L749 P782 | F681-I685 HydrophobicContact CD1-CD1 3.86Å; F681-I685 HydrophobicContact CD1-CG1 4.48Å; F681-I685 HydrophobicContact CE1-CD1 3.58Å; F681-I685 HydrophobicContact CE1-CG1 4.15Å; F681-I685 HydrophobicContact CE2-CG1 4.25Å; F681-I685 HydrophobicContact CG-CD1 4.45Å; F681-I685 HydrophobicContact CZ-CD1 3.93Å; F681-I685 HydrophobicContact CZ-CG1 3.99Å; F681-I685 VanDerWaalsContact O-CG1 3.32Å; F681-I685 WeakPolarHBondContact O-CG1 3.34Å; F681-I685 PolarHBondContact O-N 3.42Å; N682-I685 PolarHBondContact O-N 3.13Å; Q683-I685 PolarHBondContact O-N 2.91Å; I685-Y688 PolarHBondContact O-N 3.43Å; I685-R689 HydrophobicContact CG2-CG 4.48Å; I685-R689 WeakPolarHBondContact O-CB 3.41Å; I685-R689 VanDerWaalsContact O-CG 3.26Å; I685-R689 WeakPolarHBondContact O-CG 3.28Å; I685-R689 PolarHBondContact O-N 2.74Å; I685-L749 HydrophobicContact CG1-CD1 4.21Å; I685-P782 HydrophobicContact CD1-CB 3.65Å; I685-P782 HydrophobicContact CG1-CB 3.78Å; I685-P782 HydrophobicContact CG2-CB 4.08Å; I685-P782 WeakPolarHBondContact CG2-O 3.37Å |
| 686 | K | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 35.3 Ų | 35.3 | 37% | 0.365 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.6 | -54.1 | -179.9 | -176.3 | 179.6 | 175 | -175.3 | 0 | 111.5 | N682 Q683 T684 Y688 R689 E690 Y784 | N682-K686 PolarHBondContact O-N 2.74Å; Q683-K686 PolarHBondContact O-N 2.89Å; T684-K686 VanDerWaalsContact C-N 3.32Å; T684-K686 PolarHBondContact O-N 2.89Å; K686-Y688 VanDerWaalsContact C-N 3.33Å; K686-Y688 PolarHBondContact O-N 2.87Å; K686-R689 PolarHBondContact O-N 3.08Å; K686-E690 WeakPolarHBondContact CE-OE1 3.22Å; K686-E690 WeakPolarHBondContact O-CG 3.34Å; K686-E690 PolarHBondContact O-N 3.47Å; K686-Y784 HydrophobicContact CB-CD2 3.86Å; K686-Y784 HydrophobicContact CB-CG 4.22Å; K686-Y784 HydrophobicContact CD-CD2 4.12Å; K686-Y784 HydrophobicContact CD-CE2 4.23Å; K686-Y784 HydrophobicContact CD-CG 4.37Å; K686-Y784 HydrophobicContact CG-CD2 4.42Å |
| 687 | A | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q683 T684 E690 A691 I703 | Q683-A687 PolarHBondContact O-N 3.38Å; T684-A687 PolarHBondContact O-N 3.03Å; A687-E690 PolarHBondContact O-N 2.97Å; A687-A691 WeakPolarHBondContact O-CB 3.34Å; A687-A691 PolarHBondContact O-N 3.29Å; A687-I703 HydrophobicContact CB-CD1 3.79Å; A687-I703 WeakPolarHBondContact O-CD1 3.29Å |
| 688 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 178.6 | -172.6 | -96.9 | 0 | 0 | 0 | 112 | T684 I685 K686 A691 L692 A700 I703 L704 L749 I753 F781 | T684-Y688 WeakPolarHBondContact O-CB 3.44Å; T684-Y688 PolarHBondContact O-N 2.82Å; I685-Y688 PolarHBondContact O-N 3.43Å; K686-Y688 VanDerWaalsContact C-N 3.33Å; K686-Y688 PolarHBondContact O-N 2.87Å; Y688-A691 PolarHBondContact O-N 3.4Å; Y688-L692 HydrophobicContact CD1-CD1 3.89Å; Y688-L692 HydrophobicContact CD1-CG 4.31Å; Y688-L692 HydrophobicContact CE1-CD1 3.35Å; Y688-L692 HydrophobicContact CE1-CG 3.99Å; Y688-L692 PolarHBondContact O-N 2.94Å; Y688-A700 HydrophobicContact CD2-CB 3.97Å; Y688-A700 WeakPolarHBondContact CD2-O 3.17Å; Y688-A700 HydrophobicContact CE2-CB 3.67Å; Y688-A700 WeakPolarHBondContact CE2-O 3.44Å; Y688-I703 HydrophobicContact CD2-CB 4.42Å; Y688-I703 HydrophobicContact CD2-CG2 4.29Å; Y688-L704 HydrophobicContact CD2-CB 4.35Å; Y688-L704 HydrophobicContact CE2-CB 3.94Å; Y688-L704 HydrophobicContact CE2-CD2 4.44Å; Y688-L749 HydrophobicContact CD1-CD1 3.62Å; Y688-L749 HydrophobicContact CD1-CG 3.85Å; Y688-L749 HydrophobicContact CE1-CD1 4.21Å; Y688-L749 HydrophobicContact CE1-CG 4.14Å; Y688-L749 WeakPolarHBondContact CE1-O 3.39Å; Y688-L749 HydrophobicContact CG-CD1 4.15Å; Y688-L749 HydrophobicContact CG-CD2 4.35Å; Y688-L749 HydrophobicContact CG-CG 4.16Å; Y688-L749 PolarHBondContact OH-O 3.22Å; Y688-I753 HydrophobicContact CE2-CD1 4.35Å; Y688-I753 VanDerWaalsContact OH-CD1 3.25Å; Y688-I753 WeakPolarHBondContact OH-CD1 3.38Å; Y688-F781 HydrophobicContact CD1-CE1 4.23Å; Y688-F781 HydrophobicContact CD1-CZ 4Å; Y688-F781 HydrophobicContact CE1-CE1 4.41Å; Y688-F781 AromaticContact CE1-CZ 3.75Å; Y688-F781 HydrophobicContact CE1-CZ 3.75Å |
| 689 | R | 98.4 | Very high | 98.2 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 174.8 | -70.7 | 174.8 | 73.4 | 102.1 | 6.3 | 111.3 | Q69 I685 K686 A691 L692 D693 F781 P782 | Q69-R689 VanDerWaalsContact CD-NH2 3.25Å; Q69-R689 VanDerWaalsContact OE1-CZ 3.26Å; I685-R689 HydrophobicContact CG2-CG 4.48Å; I685-R689 WeakPolarHBondContact O-CB 3.41Å; I685-R689 VanDerWaalsContact O-CG 3.26Å; I685-R689 WeakPolarHBondContact O-CG 3.28Å; I685-R689 PolarHBondContact O-N 2.74Å; K686-R689 PolarHBondContact O-N 3.08Å; R689-A691 PolarHBondContact O-N 3.18Å; R689-L692 PolarHBondContact O-N 3.41Å; R689-L692 VanDerWaalsContact O-N 3.14Å; R689-D693 WeakPolarHBondContact O-CB 3.26Å; R689-D693 PolarHBondContact O-N 2.94Å; R689-F781 HydrophobicContact CG-CD1 4.32Å; R689-F781 HydrophobicContact CG-CE1 4.06Å; R689-P782 PolarHBondContact NH1-O 3.31Å |
| 690 | E | 98.5 | Very high | 98.2 | Very high | 111 Ų | 111 | 38.4 Ų | 38.4 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.9 | -40.3 | 175.2 | -72.7 | 172.5 | -173.3 | 0 | 0 | 111.9 | K686 A687 S694 | K686-E690 WeakPolarHBondContact CE-OE1 3.22Å; K686-E690 WeakPolarHBondContact O-CG 3.34Å; K686-E690 PolarHBondContact O-N 3.47Å; A687-E690 PolarHBondContact O-N 2.97Å; E690-S694 VanDerWaalsContact O-CB 3.28Å; E690-S694 WeakPolarHBondContact O-CB 3.15Å; E690-S694 PolarHBondContact O-N 2.95Å; E690-S694 VanDerWaalsContact O-N 3.1Å; E690-S694 PolarHBondContact O-OG 3.01Å |
| 691 | A | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A687 Y688 R689 S694 F695 R696 I699 A700 I703 | A687-A691 WeakPolarHBondContact O-CB 3.34Å; A687-A691 PolarHBondContact O-N 3.29Å; Y688-A691 PolarHBondContact O-N 3.4Å; R689-A691 PolarHBondContact O-N 3.18Å; A691-S694 PolarHBondContact O-N 2.82Å; A691-S694 PolarHBondContact O-OG 3.33Å; A691-F695 PolarHBondContact O-N 3.47Å; A691-R696 HydrophobicContact CB-CB 4.45Å; A691-R696 WeakPolarHBondContact O-CA 3.45Å; A691-R696 PolarHBondContact O-N 3.42Å; A691-I699 HydrophobicContact CB-CB 4.17Å; A691-I699 HydrophobicContact CB-CG2 3.87Å; A691-A700 HydrophobicContact CB-CB 3.99Å; A691-I703 HydrophobicContact CB-CD1 4.2Å |
| 692 | L | 98.2 | Very high | 98.2 | Very high | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -44.7 | 176.8 | -71.1 | -176.2 | 0 | 0 | 0 | 112.5 | T61 Y65 Y688 R689 S694 F695 F697 A700 | T61-L692 HydrophobicContact CG2-CD2 4.06Å; Y65-L692 HydrophobicContact CD1-CB 4.19Å; Y65-L692 HydrophobicContact CD1-CD1 4.08Å; Y65-L692 HydrophobicContact CD2-CD1 3.83Å; Y65-L692 HydrophobicContact CE1-CB 4Å; Y65-L692 HydrophobicContact CE1-CD1 4.39Å; Y65-L692 HydrophobicContact CE2-CD1 4.17Å; Y65-L692 HydrophobicContact CG-CD1 3.77Å; Y688-L692 HydrophobicContact CD1-CD1 3.89Å; Y688-L692 HydrophobicContact CD1-CG 4.31Å; Y688-L692 HydrophobicContact CE1-CD1 3.35Å; Y688-L692 HydrophobicContact CE1-CG 3.99Å; Y688-L692 PolarHBondContact O-N 2.94Å; R689-L692 PolarHBondContact O-N 3.41Å; R689-L692 VanDerWaalsContact O-N 3.14Å; L692-S694 PolarHBondContact O-N 3.17Å; L692-F695 PolarHBondContact O-N 3.14Å; L692-F695 VanDerWaalsContact O-N 3.08Å; L692-F697 HydrophobicContact CD2-CD1 3.96Å; L692-F697 HydrophobicContact CD2-CE1 4.15Å; L692-A700 HydrophobicContact CD2-CB 3.83Å; L692-A700 HydrophobicContact CG-CB 4.25Å |
| 693 | D | 97.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 47% | 0.471 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.2 | -24.8 | 179.5 | -66.4 | -22.4 | 0 | 0 | 0 | 111.8 | Y65 R689 | Y65-D693 WeakPolarHBondContact CE1-OD1 3.42Å; Y65-D693 PolarHBondContact OH-OD1 3.29Å; Y65-D693 PolarHBondContact OH-OD2 3.07Å; R689-D693 WeakPolarHBondContact O-CB 3.26Å; R689-D693 PolarHBondContact O-N 2.94Å |
| 694 | S | 96.9 | Very high | 98.2 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 44% | 0.441 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 12.7 | 175.7 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | E690 A691 L692 R696 | E690-S694 VanDerWaalsContact O-CB 3.28Å; E690-S694 WeakPolarHBondContact O-CB 3.15Å; E690-S694 PolarHBondContact O-N 2.95Å; E690-S694 VanDerWaalsContact O-N 3.1Å; E690-S694 PolarHBondContact O-OG 3.01Å; A691-S694 PolarHBondContact O-N 2.82Å; A691-S694 PolarHBondContact O-OG 3.33Å; L692-S694 PolarHBondContact O-N 3.17Å; S694-R696 PolarHBondContact O-N 3.41Å |
| 695 | F | 97.5 | Very high | 98.2 | Very high | 37 Ų | 37 | 38 Ų | 38 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 28.2 | 179.6 | -55.7 | -94.4 | 0 | 0 | 0 | 114.6 | M62 V405 V504 T540 Y542 A691 L692 F697 | M62-F695 HydrophobicContact SD-CD1 3.86Å; M62-F695 HydrophobicContact SD-CE1 3.59Å; M62-F695 VanDerWaalsContact SD-CE1 3.59Å; V405-F695 HydrophobicContact CG1-CB 3.98Å; V405-F695 HydrophobicContact CG1-CD2 4.3Å; V405-F695 HydrophobicContact CG1-CG 4.28Å; V405-F695 HydrophobicContact CG2-CD2 4.22Å; V405-F695 HydrophobicContact CG2-CE2 4.45Å; V504-F695 HydrophobicContact CG1-CE1 3.98Å; V504-F695 HydrophobicContact CG2-CE1 3.92Å; V504-F695 HydrophobicContact CG2-CZ 4.03Å; T540-F695 HydrophobicContact CG2-CE1 4.3Å; T540-F695 HydrophobicContact CG2-CE2 4.05Å; T540-F695 HydrophobicContact CG2-CZ 3.73Å; Y542-F695 HydrophobicContact CD2-CB 3.78Å; Y542-F695 AromaticContact CD2-CD1 3.93Å; Y542-F695 HydrophobicContact CD2-CD1 3.93Å; Y542-F695 HydrophobicContact CD2-CG 4.12Å; Y542-F695 HydrophobicContact CE2-CB 3.85Å; Y542-F695 HydrophobicContact CG-CD1 4.3Å; A691-F695 PolarHBondContact O-N 3.47Å; L692-F695 PolarHBondContact O-N 3.14Å; L692-F695 VanDerWaalsContact O-N 3.08Å; F695-F697 HydrophobicContact CB-CE2 4Å; F695-F697 HydrophobicContact CD1-CE2 4.29Å; F695-F697 HydrophobicContact CD1-CZ 4.22Å; F695-F697 WeakPolarHBondContact O-CD2 3.25Å; F695-F697 PolarHBondContact O-N 3.4Å |
| 696 | R | 97.8 | Very high | 98.2 | Very high | 81 Ų | 81 | 42.2 Ų | 42.2 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | trans | -99.1 | 70.1 | 176.6 | -67.6 | -57.9 | -54.7 | -83.4 | 3 | 111.6 | A691 S694 D698 I699 A700 | A691-R696 HydrophobicContact CB-CB 4.45Å; A691-R696 WeakPolarHBondContact O-CA 3.45Å; A691-R696 PolarHBondContact O-N 3.42Å; S694-R696 PolarHBondContact O-N 3.41Å; R696-D698 VanDerWaalsContact C-N 3.27Å; R696-D698 IonicContact CZ-OD1 2.62Å; R696-D698 IonicContact CZ-OD2 2.68Å; R696-D698 IonicContact NE-OD1 3.65Å; R696-D698 PolarHBondContact NE-OD1 2.87Å; R696-D698 IonicContact NE-OD2 3.34Å; R696-D698 IonicContact NH2-OD1 2.78Å; R696-D698 PolarHBondContact NH2-OD1 3.19Å; R696-D698 IonicContact NH2-OD2 2.7Å; R696-D698 PolarHBondContact NH2-OD2 2.87Å; R696-D698 PolarHBondContact O-N 2.97Å; R696-I699 HydrophobicContact CB-CB 4Å; R696-I699 HydrophobicContact CB-CD1 4.03Å; R696-I699 HydrophobicContact CB-CG1 4.13Å; R696-I699 HydrophobicContact CG-CD1 4.22Å; R696-I699 PolarHBondContact O-N 3.4Å; R696-A700 PolarHBondContact O-N 3.32Å | ||
| 697 | F | 98.1 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -29.1 | -179.1 | -53.6 | -83 | 0 | 0 | 0 | 113.3 | I58 T61 M62 Y542 A619 A622 L692 F695 A700 A701 | I58-F697 HydrophobicContact CD1-CB 3.67Å; I58-F697 HydrophobicContact CD1-CD1 4.07Å; I58-F697 HydrophobicContact CD1-CD2 3.71Å; I58-F697 HydrophobicContact CD1-CE2 4.39Å; I58-F697 HydrophobicContact CD1-CG 3.53Å; I58-F697 HydrophobicContact CG2-CD1 4.43Å; I58-F697 HydrophobicContact CG2-CD2 3.84Å; I58-F697 HydrophobicContact CG2-CE1 4.07Å; I58-F697 HydrophobicContact CG2-CE2 3.42Å; I58-F697 VanDerWaalsContact CG2-CE2 3.42Å; I58-F697 HydrophobicContact CG2-CG 4.33Å; I58-F697 HydrophobicContact CG2-CZ 3.56Å; T61-F697 HydrophobicContact CG2-CD1 4.19Å; T61-F697 HydrophobicContact CG2-CE1 4.31Å; M62-F697 HydrophobicContact CE-CZ 4.16Å; M62-F697 HydrophobicContact CG-CE1 3.77Å; M62-F697 HydrophobicContact CG-CZ 3.64Å; M62-F697 HydrophobicContact SD-CZ 3.84Å; Y542-F697 HydrophobicContact CD2-CE2 4.49Å; Y542-F697 HydrophobicContact CE1-CE2 4.21Å; Y542-F697 HydrophobicContact CE2-CD2 4.35Å; Y542-F697 AromaticContact CE2-CE2 3.93Å; Y542-F697 HydrophobicContact CE2-CE2 3.93Å; Y542-F697 AromaticContact CZ-CD2 3.96Å; Y542-F697 AromaticContact CZ-CE2 3.77Å; A619-F697 CarbonylContact O-C 3.6Å; A619-F697 VanDerWaalsContact O-C 3.3Å; A622-F697 HydrophobicContact CB-CB 3.97Å; L692-F697 HydrophobicContact CD2-CD1 3.96Å; L692-F697 HydrophobicContact CD2-CE1 4.15Å; F695-F697 HydrophobicContact CB-CE2 4Å; F695-F697 HydrophobicContact CD1-CE2 4.29Å; F695-F697 HydrophobicContact CD1-CZ 4.22Å; F695-F697 WeakPolarHBondContact O-CD2 3.25Å; F695-F697 PolarHBondContact O-N 3.4Å; F697-A700 PolarHBondContact O-N 2.89Å; F697-A701 WeakPolarHBondContact O-CB 3.42Å; F697-A701 PolarHBondContact O-N 3.44Å |
| 698 | D | 97.3 | Very high | 98.2 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 172.3 | 61.8 | -34.6 | 0 | 0 | 0 | 111.5 | A619 R696 G702 | A619-D698 WeakPolarHBondContact O-CA 3.35Å; A619-D698 PolarHBondContact O-N 3.08Å; R696-D698 VanDerWaalsContact C-N 3.27Å; R696-D698 IonicContact CZ-OD1 2.62Å; R696-D698 IonicContact CZ-OD2 2.68Å; R696-D698 IonicContact NE-OD1 3.65Å; R696-D698 PolarHBondContact NE-OD1 2.87Å; R696-D698 IonicContact NE-OD2 3.34Å; R696-D698 IonicContact NH2-OD1 2.78Å; R696-D698 PolarHBondContact NH2-OD1 3.19Å; R696-D698 IonicContact NH2-OD2 2.7Å; R696-D698 PolarHBondContact NH2-OD2 2.87Å; R696-D698 PolarHBondContact O-N 2.97Å; D698-G702 PolarHBondContact O-N 3.19Å |
| 699 | I | 98.2 | Very high | 98.2 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 35% | 0.354 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.4 | -44.6 | 174.6 | -64.6 | -177.2 | 0 | 0 | 0 | 110.4 | A691 R696 A701 G702 I703 | A691-I699 HydrophobicContact CB-CB 4.17Å; A691-I699 HydrophobicContact CB-CG2 3.87Å; R696-I699 HydrophobicContact CB-CB 4Å; R696-I699 HydrophobicContact CB-CD1 4.03Å; R696-I699 HydrophobicContact CB-CG1 4.13Å; R696-I699 HydrophobicContact CG-CD1 4.22Å; R696-I699 PolarHBondContact O-N 3.4Å; I699-A701 VanDerWaalsContact C-N 3.34Å; I699-A701 PolarHBondContact O-N 3.22Å; I699-G702 CarbonylContact O-C 3.46Å; I699-G702 WeakPolarHBondContact O-CA 3.43Å; I699-G702 PolarHBondContact O-N 3.39Å; I699-G702 VanDerWaalsContact O-N 3.09Å; I699-I703 HydrophobicContact CG2-CD1 3.59Å; I699-I703 HydrophobicContact CG2-CG1 4.1Å; I699-I703 WeakPolarHBondContact O-CG1 3.29Å; I699-I703 PolarHBondContact O-N 3.28Å |
| 700 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y688 A691 L692 R696 F697 G702 I703 L704 | Y688-A700 HydrophobicContact CD2-CB 3.97Å; Y688-A700 WeakPolarHBondContact CD2-O 3.17Å; Y688-A700 HydrophobicContact CE2-CB 3.67Å; Y688-A700 WeakPolarHBondContact CE2-O 3.44Å; A691-A700 HydrophobicContact CB-CB 3.99Å; L692-A700 HydrophobicContact CD2-CB 3.83Å; L692-A700 HydrophobicContact CG-CB 4.25Å; R696-A700 PolarHBondContact O-N 3.32Å; F697-A700 PolarHBondContact O-N 2.89Å; A700-G702 VanDerWaalsContact C-N 3.34Å; A700-G702 PolarHBondContact O-N 2.87Å; A700-I703 PolarHBondContact O-N 3.2Å; A700-L704 WeakPolarHBondContact O-CB 3.44Å; A700-L704 PolarHBondContact O-N 2.93Å |
| 701 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F616 A619 A620 F697 I699 Y705 | F616-A701 HydrophobicContact CD1-CB 4.33Å; F616-A701 HydrophobicContact CE1-CB 3.86Å; F616-A701 HydrophobicContact CZ-CB 4.26Å; F616-A701 VanDerWaalsContact CZ-O 3.23Å; F616-A701 WeakPolarHBondContact CZ-O 3.48Å; A619-A701 HydrophobicContact CB-CB 4.2Å; A620-A701 HydrophobicContact CB-CB 3.88Å; F697-A701 WeakPolarHBondContact O-CB 3.42Å; F697-A701 PolarHBondContact O-N 3.44Å; I699-A701 VanDerWaalsContact C-N 3.34Å; I699-A701 PolarHBondContact O-N 3.22Å; A701-Y705 WeakPolarHBondContact O-CB 3.31Å; A701-Y705 PolarHBondContact O-N 3.21Å |
| 702 | G | 98.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.6 | -50 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | D698 I699 A700 L704 Y705 E706 | D698-G702 PolarHBondContact O-N 3.19Å; I699-G702 CarbonylContact O-C 3.46Å; I699-G702 WeakPolarHBondContact O-CA 3.43Å; I699-G702 PolarHBondContact O-N 3.39Å; I699-G702 VanDerWaalsContact O-N 3.09Å; A700-G702 VanDerWaalsContact C-N 3.34Å; A700-G702 PolarHBondContact O-N 2.87Å; G702-L704 VanDerWaalsContact C-N 3.33Å; G702-L704 PolarHBondContact O-N 3.44Å; G702-Y705 PolarHBondContact O-N 3.12Å; G702-E706 WeakPolarHBondContact O-CB 3.47Å; G702-E706 WeakPolarHBondContact O-CG 3.21Å; G702-E706 PolarHBondContact O-N 3.5Å |
| 703 | I | 98.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 18% | 0.179 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.8 | -47 | 177.6 | -69.7 | 167.2 | 0 | 0 | 0 | 110.6 | T684 A687 Y688 A691 I699 A700 Y705 E706 F707 | T684-I703 HydrophobicContact CG2-CG2 3.72Å; A687-I703 HydrophobicContact CB-CD1 3.79Å; A687-I703 WeakPolarHBondContact O-CD1 3.29Å; Y688-I703 HydrophobicContact CD2-CB 4.42Å; Y688-I703 HydrophobicContact CD2-CG2 4.29Å; A691-I703 HydrophobicContact CB-CD1 4.2Å; I699-I703 HydrophobicContact CG2-CD1 3.59Å; I699-I703 HydrophobicContact CG2-CG1 4.1Å; I699-I703 WeakPolarHBondContact O-CG1 3.29Å; I699-I703 PolarHBondContact O-N 3.28Å; A700-I703 PolarHBondContact O-N 3.2Å; I703-Y705 VanDerWaalsContact C-N 3.34Å; I703-Y705 PolarHBondContact O-N 3.39Å; I703-E706 PolarHBondContact O-N 2.99Å; I703-F707 PolarHBondContact O-N 3.05Å |
| 704 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 179.6 | -179.3 | 59.5 | 0 | 0 | 0 | 111.9 | F616 Y688 A700 G702 T708 L746 A750 I753 | F616-L704 HydrophobicContact CD2-CD2 4.49Å; F616-L704 HydrophobicContact CE2-CB 4.45Å; F616-L704 HydrophobicContact CE2-CD2 3.64Å; F616-L704 HydrophobicContact CE2-CG 4.02Å; F616-L704 HydrophobicContact CZ-CB 4.38Å; F616-L704 HydrophobicContact CZ-CD2 4.35Å; F616-L704 HydrophobicContact CZ-CG 4.38Å; Y688-L704 HydrophobicContact CD2-CB 4.35Å; Y688-L704 HydrophobicContact CE2-CB 3.94Å; Y688-L704 HydrophobicContact CE2-CD2 4.44Å; A700-L704 WeakPolarHBondContact O-CB 3.44Å; A700-L704 PolarHBondContact O-N 2.93Å; G702-L704 VanDerWaalsContact C-N 3.33Å; G702-L704 PolarHBondContact O-N 3.44Å; L704-T708 WeakPolarHBondContact O-CB 3.45Å; L704-T708 PolarHBondContact O-N 3.15Å; L704-T708 PolarHBondContact O-OG1 2.82Å; L704-L746 HydrophobicContact CD1-CD1 3.71Å; L704-A750 HydrophobicContact CD1-CB 3.86Å; L704-A750 HydrophobicContact CD2-CB 3.8Å; L704-A750 HydrophobicContact CG-CB 4.42Å; L704-I753 HydrophobicContact CD2-CD1 4.42Å |
| 705 | Y | 98.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 26% | 0.255 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.7 | -52.7 | 175.6 | -178.5 | -87 | 0 | 0 | 0 | 111.4 | Y638 F641 A701 G702 I703 F707 T708 W709 | Y638-Y705 HydrophobicContact CD1-CD2 4.37Å; Y638-Y705 AromaticContact CE1-CD2 3.95Å; Y638-Y705 HydrophobicContact CE1-CD2 3.95Å; Y638-Y705 HydrophobicContact CE1-CE2 4.45Å; F641-Y705 HydrophobicContact CB-CD2 4.44Å; F641-Y705 HydrophobicContact CB-CE2 4.29Å; F641-Y705 AromaticContact CD2-CD2 3.34Å; F641-Y705 HydrophobicContact CD2-CD2 3.34Å; F641-Y705 AromaticContact CD2-CE2 3.65Å; F641-Y705 HydrophobicContact CD2-CE2 3.65Å; F641-Y705 HydrophobicContact CD2-CG 4.28Å; F641-Y705 AromaticContact CE2-CD2 3.77Å; F641-Y705 HydrophobicContact CE2-CD2 3.77Å; F641-Y705 HydrophobicContact CE2-CE2 4.44Å; F641-Y705 HydrophobicContact CE2-CG 4.31Å; F641-Y705 HydrophobicContact CG-CD2 4.06Å; F641-Y705 HydrophobicContact CG-CE2 4.32Å; A701-Y705 WeakPolarHBondContact O-CB 3.31Å; A701-Y705 PolarHBondContact O-N 3.21Å; G702-Y705 PolarHBondContact O-N 3.12Å; I703-Y705 VanDerWaalsContact C-N 3.34Å; I703-Y705 PolarHBondContact O-N 3.39Å; Y705-F707 PolarHBondContact O-N 2.89Å; Y705-T708 PolarHBondContact O-N 3.04Å; Y705-W709 HydrophobicContact CE1-CB 4.23Å; Y705-W709 HydrophobicContact CE1-CG 4.44Å; Y705-W709 HydrophobicContact CE2-CB 4.49Å; Y705-W709 HydrophobicContact CE2-CD2 4.46Å; Y705-W709 HydrophobicContact CE2-CE3 4.15Å; Y705-W709 WeakPolarHBondContact O-CB 3.28Å; Y705-W709 PolarHBondContact O-N 3.48Å |
| 706 | E | 98.5 | Very high | 97.9 | Very high | 95 Ų | 95 | 31.8 Ų | 31.8 | 44% | 0.444 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -58.8 | -47 | -178.2 | -73.9 | -63 | 137.4 | 0 | 0 | 111.7 | G702 I703 N710 Q711 | G702-E706 WeakPolarHBondContact O-CB 3.47Å; G702-E706 WeakPolarHBondContact O-CG 3.21Å; G702-E706 PolarHBondContact O-N 3.5Å; I703-E706 PolarHBondContact O-N 2.99Å; E706-N710 VanDerWaalsContact CD-ND2 3.3Å; E706-N710 WeakPolarHBondContact O-CA 3.34Å; E706-N710 WeakPolarHBondContact O-CB 3.13Å; E706-N710 PolarHBondContact O-N 3.46Å; E706-N710 PolarHBondContact OE1-ND2 3.08Å; E706-N710 PolarHBondContact OE2-ND2 3.32Å; E706-Q711 PolarHBondContact O-N 3.16Å |
| 707 | F | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -65.1 | -50.7 | 177.2 | 179.6 | -95.3 | 0 | 0 | 0 | 111.6 | I677 E680 F681 T684 I703 Y705 Q711 F712 V742 L746 | I677-F707 HydrophobicContact CD1-CE2 3.72Å; I677-F707 HydrophobicContact CD1-CZ 3.82Å; I677-F707 HydrophobicContact CG1-CZ 4.35Å; E680-F707 HydrophobicContact CB-CE2 4.45Å; E680-F707 HydrophobicContact CG-CD2 4.12Å; E680-F707 HydrophobicContact CG-CE2 4.09Å; F681-F707 HydrophobicContact CB-CE2 3.73Å; F681-F707 HydrophobicContact CB-CZ 3.6Å; F681-F707 HydrophobicContact CD2-CD1 4.1Å; F681-F707 AromaticContact CD2-CE1 3.42Å; F681-F707 HydrophobicContact CD2-CE1 3.42Å; F681-F707 VanDerWaalsContact CD2-CE1 3.42Å; F681-F707 AromaticContact CD2-CE2 3.9Å; F681-F707 HydrophobicContact CD2-CE2 3.9Å; F681-F707 AromaticContact CD2-CZ 3.31Å; F681-F707 HydrophobicContact CD2-CZ 3.31Å; F681-F707 AromaticContact CE2-CE1 4Å; F681-F707 HydrophobicContact CE2-CE1 4Å; F681-F707 HydrophobicContact CE2-CZ 4.31Å; F681-F707 HydrophobicContact CG-CE1 4.3Å; F681-F707 HydrophobicContact CG-CE2 4.29Å; F681-F707 AromaticContact CG-CZ 3.79Å; F681-F707 HydrophobicContact CG-CZ 3.79Å; T684-F707 HydrophobicContact CG2-CB 3.61Å; T684-F707 HydrophobicContact CG2-CD1 4.41Å; T684-F707 HydrophobicContact CG2-CD2 4.09Å; T684-F707 HydrophobicContact CG2-CG 3.77Å; T684-F707 WeakPolarHBondContact OG1-CD2 3.4Å; I703-F707 PolarHBondContact O-N 3.05Å; Y705-F707 PolarHBondContact O-N 2.89Å; F707-Q711 HydrophobicContact CD2-CB 4.12Å; F707-Q711 HydrophobicContact CD2-CG 4.49Å; F707-Q711 HydrophobicContact CE2-CB 4.46Å; F707-Q711 WeakPolarHBondContact O-CB 3.26Å; F707-Q711 PolarHBondContact O-N 3.38Å; F707-F712 HydrophobicContact CE1-CB 4.17Å; F707-F712 HydrophobicContact CZ-CB 4.46Å; F707-F712 WeakPolarHBondContact O-CB 3.21Å; F707-F712 PolarHBondContact O-N 3.18Å; F707-V742 HydrophobicContact CE1-CG1 4.22Å; F707-V742 HydrophobicContact CZ-CG1 3.88Å; F707-L746 HydrophobicContact CD1-CD1 3.83Å; F707-L746 HydrophobicContact CD1-CD2 4.39Å; F707-L746 HydrophobicContact CE1-CD1 4.08Å; F707-L746 HydrophobicContact CE1-CD2 4.17Å; F707-L746 HydrophobicContact CE1-CG 4.48Å |
| 708 | T | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -65.8 | -51.9 | -173.8 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | F641 L645 L704 Y705 C713 L746 | F641-T708 HydrophobicContact CE2-CG2 3.76Å; F641-T708 HydrophobicContact CZ-CG2 3.73Å; L645-T708 HydrophobicContact CB-CG2 4.45Å; L645-T708 HydrophobicContact CD1-CG2 4.06Å; L704-T708 WeakPolarHBondContact O-CB 3.45Å; L704-T708 PolarHBondContact O-N 3.15Å; L704-T708 PolarHBondContact O-OG1 2.82Å; Y705-T708 PolarHBondContact O-N 3.04Å; T708-C713 WeakPolarHBondContact O-CB 3.48Å; T708-C713 PolarHBondContact O-N 3.15Å; T708-C713 PolarHBondContact O-SG 3.42Å; T708-L746 HydrophobicContact CG2-CD2 4.11Å; T708-L746 WeakPolarHBondContact OG1-CD1 3.45Å |
| 709 | W | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 30.6 Ų | 30.6 | 23% | 0.227 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -77.7 | -52.9 | -174.6 | -169.3 | -66.8 | 0 | 0 | 0 | 110.9 | N640 F641 K644 Y705 C713 D714 | N640-W709 HydrophobicContact CB-CH2 4.48Å; F641-W709 HydrophobicContact CB-CE3 4.4Å; F641-W709 HydrophobicContact CB-CZ3 4.42Å; F641-W709 HydrophobicContact CD2-CE3 4Å; K644-W709 HydrophobicContact CB-CE3 3.73Å; K644-W709 HydrophobicContact CB-CH2 4.31Å; K644-W709 HydrophobicContact CB-CZ3 3.6Å; K644-W709 HydrophobicContact CD-CD2 4.42Å; K644-W709 HydrophobicContact CD-CE3 4.37Å; K644-W709 HydrophobicContact CD-CH2 4.36Å; K644-W709 HydrophobicContact CD-CZ2 4.38Å; K644-W709 HydrophobicContact CD-CZ3 4.35Å; K644-W709 HydrophobicContact CG-CD2 4.1Å; K644-W709 HydrophobicContact CG-CE3 3.76Å; K644-W709 HydrophobicContact CG-CH2 4.5Å; K644-W709 HydrophobicContact CG-CZ3 3.99Å; Y705-W709 HydrophobicContact CE1-CB 4.23Å; Y705-W709 HydrophobicContact CE1-CG 4.44Å; Y705-W709 HydrophobicContact CE2-CB 4.49Å; Y705-W709 HydrophobicContact CE2-CD2 4.46Å; Y705-W709 HydrophobicContact CE2-CE3 4.15Å; Y705-W709 WeakPolarHBondContact O-CB 3.28Å; Y705-W709 PolarHBondContact O-N 3.48Å; W709-C713 WeakPolarHBondContact O-CB 3.45Å; W709-D714 VanDerWaalsContact CD1-OD2 3.31Å; W709-D714 PolarHBondContact NE1-OD2 3.11Å; W709-D714 WeakPolarHBondContact O-CB 3.4Å; W709-D714 VanDerWaalsContact O-CG 3.31Å; W709-D714 PolarHBondContact O-N 3.03Å |
| 710 | N | 97.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 23% | 0.225 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -85.1 | -47.3 | -167.1 | -55.9 | -2.2 | 0 | 0 | 0 | 110.9 | E706 D714 W715 | E706-N710 VanDerWaalsContact CD-ND2 3.3Å; E706-N710 WeakPolarHBondContact O-CA 3.34Å; E706-N710 WeakPolarHBondContact O-CB 3.13Å; E706-N710 PolarHBondContact O-N 3.46Å; E706-N710 PolarHBondContact OE1-ND2 3.08Å; E706-N710 PolarHBondContact OE2-ND2 3.32Å; N710-D714 WeakPolarHBondContact O-CB 3.45Å; N710-W715 PolarHBondContact O-N 3.08Å |
| 711 | Q | 98 | Very high | 96.9 | Very high | 35 Ų | 35 | 30.7 Ų | 30.7 | 16% | 0.164 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -82.3 | -54.7 | -176.3 | -51.7 | -51.6 | -29.6 | 0 | 0 | 112.3 | W676 I677 E680 E706 F707 W715 Y716 | W676-Q711 HydrophobicContact CH2-CB 4.14Å; W676-Q711 HydrophobicContact CZ2-CB 4.17Å; I677-Q711 HydrophobicContact CD1-CB 4.47Å; E680-Q711 HydrophobicContact CG-CB 4.29Å; E680-Q711 HydrophobicContact CG-CG 4.12Å; E706-Q711 PolarHBondContact O-N 3.16Å; F707-Q711 HydrophobicContact CD2-CB 4.12Å; F707-Q711 HydrophobicContact CD2-CG 4.49Å; F707-Q711 HydrophobicContact CE2-CB 4.46Å; F707-Q711 WeakPolarHBondContact O-CB 3.26Å; F707-Q711 PolarHBondContact O-N 3.38Å; Q711-W715 WeakPolarHBondContact O-CB 3.09Å; Q711-Y716 PolarHBondContact O-N 3.11Å |
| 712 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -72.5 | -57.3 | -175.5 | -174.4 | -112.8 | 0 | 0 | 0 | 111.3 | A648 V652 I677 F707 Y716 L717 V742 L743 L746 | A648-F712 HydrophobicContact CB-CE1 4.27Å; V652-F712 HydrophobicContact CG2-CZ 4.06Å; I677-F712 HydrophobicContact CG1-CD2 4.42Å; F707-F712 HydrophobicContact CE1-CB 4.17Å; F707-F712 HydrophobicContact CZ-CB 4.46Å; F707-F712 WeakPolarHBondContact O-CB 3.21Å; F707-F712 PolarHBondContact O-N 3.18Å; F712-Y716 AromaticContact CD2-CD1 3.71Å; F712-Y716 HydrophobicContact CD2-CD1 3.71Å; F712-Y716 HydrophobicContact CD2-CE1 4.5Å; F712-Y716 AromaticContact CE2-CD1 3.66Å; F712-Y716 HydrophobicContact CE2-CD1 3.66Å; F712-Y716 HydrophobicContact CE2-CE1 4.07Å; F712-Y716 WeakPolarHBondContact O-CB 3.17Å; F712-Y716 PolarHBondContact O-N 3.46Å; F712-L717 HydrophobicContact CE1-CD2 4.28Å; F712-L717 HydrophobicContact CE2-CD2 4.33Å; F712-L717 HydrophobicContact CZ-CD2 4.02Å; F712-L717 WeakPolarHBondContact O-CG 3.21Å; F712-L717 PolarHBondContact O-N 2.89Å; F712-V742 HydrophobicContact CD2-CG1 3.74Å; F712-V742 HydrophobicContact CE2-CB 4.24Å; F712-V742 HydrophobicContact CE2-CG1 3.71Å; F712-L743 HydrophobicContact CE1-CD1 4.38Å; F712-L743 HydrophobicContact CZ-CB 4.28Å; F712-L746 HydrophobicContact CD1-CD2 4.1Å; F712-L746 HydrophobicContact CE1-CD2 4.5Å; F712-L746 HydrophobicContact CG-CD2 4.45Å |
| 713 | C | 97.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -75.8 | -50 | -173.7 | -63.8 | 0 | 0 | 0 | 0 | 114.1 | K644 A648 T708 W709 | K644-C713 HydrophobicContact CD-CB 4.38Å; K644-C713 HydrophobicContact CG-CB 4.19Å; A648-C713 WeakPolarHBondContact CB-SG 3.37Å; T708-C713 WeakPolarHBondContact O-CB 3.48Å; T708-C713 PolarHBondContact O-N 3.15Å; T708-C713 PolarHBondContact O-SG 3.42Å; W709-C713 WeakPolarHBondContact O-CB 3.45Å |
| 714 | D | 94.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 31 Ų | 31 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -79.1 | -28.9 | -171.9 | -73.7 | -7.3 | 0 | 0 | 0 | 113.2 | K644 W709 N710 | K644-D714 IonicContact NZ-OD1 3.08Å; K644-D714 PolarHBondContact NZ-OD1 3.31Å; W709-D714 VanDerWaalsContact CD1-OD2 3.31Å; W709-D714 PolarHBondContact NE1-OD2 3.11Å; W709-D714 WeakPolarHBondContact O-CB 3.4Å; W709-D714 VanDerWaalsContact O-CG 3.31Å; W709-D714 PolarHBondContact O-N 3.03Å; N710-D714 WeakPolarHBondContact O-CB 3.45Å |
| 715 | W | 95.5 | Very high | 95.2 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -107.5 | -63.4 | 179.3 | -74.4 | 113.4 | 0 | 0 | 0 | 113.4 | W676 N710 Q711 L717 E718 L719 K801 I804 V805 | W676-W715 HydrophobicContact CH2-CB 3.91Å; W676-W715 HydrophobicContact CZ3-CB 4.22Å; N710-W715 PolarHBondContact O-N 3.08Å; Q711-W715 WeakPolarHBondContact O-CB 3.09Å; W715-L717 PolarHBondContact O-N 3.41Å; W715-E718 PolarHBondContact O-N 2.93Å; W715-E718 VanDerWaalsContact O-N 3.16Å; W715-L719 HydrophobicContact CB-CD1 4.28Å; W715-L719 WeakPolarHBondContact O-CB 3.38Å; W715-L719 WeakPolarHBondContact O-CG 3.37Å; W715-L719 PolarHBondContact O-N 2.81Å; W715-K801 HydrophobicContact CD2-CD 3.98Å; W715-K801 HydrophobicContact CD2-CG 3.82Å; W715-K801 HydrophobicContact CE3-CG 3.87Å; W715-K801 HydrophobicContact CG-CD 4.17Å; W715-K801 HydrophobicContact CG-CG 4.47Å; W715-K801 HydrophobicContact CH2-CB 3.96Å; W715-K801 HydrophobicContact CH2-CG 3.89Å; W715-K801 HydrophobicContact CZ2-CB 3.96Å; W715-K801 HydrophobicContact CZ2-CD 4.27Å; W715-K801 HydrophobicContact CZ2-CG 3.85Å; W715-K801 HydrophobicContact CZ3-CB 4.4Å; W715-K801 HydrophobicContact CZ3-CG 3.9Å; W715-I804 HydrophobicContact CH2-CB 4.3Å; W715-I804 HydrophobicContact CH2-CG2 4.11Å; W715-I804 HydrophobicContact CZ3-CB 4.42Å; W715-I804 HydrophobicContact CZ3-CD1 4.1Å; W715-I804 HydrophobicContact CZ3-CG2 4.18Å; W715-V805 HydrophobicContact CH2-CG2 4.02Å; W715-V805 HydrophobicContact CZ2-CG2 3.93Å |
| 716 | Y | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -61.4 | -48.4 | -168.9 | 179.7 | -119.5 | 0 | 0 | 0 | 112.6 | A673 D674 W676 I677 Q711 F712 E718 L719 T720 T738 L739 | A673-Y716 HydrophobicContact CB-CD2 4.32Å; A673-Y716 HydrophobicContact CB-CE2 4.33Å; D674-Y716 WeakPolarHBondContact OD1-CE2 3.38Å; D674-Y716 PolarHBondContact OD1-OH 3.28Å; W676-Y716 HydrophobicContact CZ3-CD2 4.45Å; I677-Y716 HydrophobicContact CB-CD1 4.28Å; I677-Y716 HydrophobicContact CB-CD2 3.65Å; I677-Y716 HydrophobicContact CB-CE2 4.02Å; I677-Y716 HydrophobicContact CB-CG 3.82Å; I677-Y716 HydrophobicContact CD1-CG 4.24Å; I677-Y716 HydrophobicContact CG1-CD1 3.89Å; I677-Y716 HydrophobicContact CG1-CD2 4.11Å; I677-Y716 HydrophobicContact CG1-CE1 4.4Å; I677-Y716 HydrophobicContact CG1-CG 3.72Å; I677-Y716 HydrophobicContact CG2-CD1 4.12Å; I677-Y716 HydrophobicContact CG2-CD2 3.59Å; I677-Y716 HydrophobicContact CG2-CE1 3.89Å; I677-Y716 HydrophobicContact CG2-CE2 3.38Å; I677-Y716 HydrophobicContact CG2-CG 3.98Å; Q711-Y716 PolarHBondContact O-N 3.11Å; F712-Y716 AromaticContact CD2-CD1 3.71Å; F712-Y716 HydrophobicContact CD2-CD1 3.71Å; F712-Y716 HydrophobicContact CD2-CE1 4.5Å; F712-Y716 AromaticContact CE2-CD1 3.66Å; F712-Y716 HydrophobicContact CE2-CD1 3.66Å; F712-Y716 HydrophobicContact CE2-CE1 4.07Å; F712-Y716 WeakPolarHBondContact O-CB 3.17Å; F712-Y716 PolarHBondContact O-N 3.46Å; Y716-E718 PolarHBondContact O-N 2.93Å; Y716-L719 CarbonylContact O-C 3.57Å; Y716-L719 WeakPolarHBondContact O-CA 3.22Å; Y716-L719 WeakPolarHBondContact O-CB 3.49Å; Y716-L719 PolarHBondContact O-N 3.18Å; Y716-T720 HydrophobicContact CD1-CG2 4.41Å; Y716-T720 HydrophobicContact CD2-CG2 4.1Å; Y716-T720 HydrophobicContact CE1-CG2 3.98Å; Y716-T720 HydrophobicContact CE2-CG2 3.58Å; Y716-T720 HydrophobicContact CG-CG2 4.47Å; Y716-T720 WeakPolarHBondContact O-CG2 3.49Å; Y716-T720 PolarHBondContact O-N 3.12Å; Y716-T738 WeakPolarHBondContact OH-CB 3.04Å; Y716-T738 WeakPolarHBondContact OH-CG2 3.49Å; Y716-L739 HydrophobicContact CD1-CD2 4.11Å; Y716-L739 HydrophobicContact CE1-CD2 3.45Å; Y716-L739 VanDerWaalsContact CE1-CD2 3.45Å; Y716-L739 HydrophobicContact CE1-CG 3.96Å |
| 717 | L | 96.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -35.9 | 178.4 | -63.4 | -170.2 | 0 | 0 | 0 | 112.6 | A648 F651 V652 F712 W715 T720 L739 | A648-L717 HydrophobicContact CB-CD1 3.77Å; F651-L717 HydrophobicContact CD1-CB 4.4Å; F651-L717 HydrophobicContact CD1-CD1 4.05Å; F651-L717 HydrophobicContact CD1-CD2 3.78Å; F651-L717 HydrophobicContact CD1-CG 4.28Å; F651-L717 HydrophobicContact CE1-CB 4.25Å; F651-L717 HydrophobicContact CE1-CD2 3.94Å; V652-L717 HydrophobicContact CG2-CD2 4.22Å; F712-L717 HydrophobicContact CE1-CD2 4.28Å; F712-L717 HydrophobicContact CE2-CD2 4.33Å; F712-L717 HydrophobicContact CZ-CD2 4.02Å; F712-L717 WeakPolarHBondContact O-CG 3.21Å; F712-L717 PolarHBondContact O-N 2.89Å; W715-L717 PolarHBondContact O-N 3.41Å; L717-T720 PolarHBondContact O-OG1 3.5Å; L717-L739 HydrophobicContact CD2-CD2 3.61Å |
| 718 | E | 92.8 | Very high | 94 | Very high | 72 Ų | 72 | 38 Ų | 38 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.1 | -39.9 | 175 | -65.7 | -60.6 | 138.9 | 0 | 0 | 112 | W715 Y716 T720 K721 L847 | W715-E718 PolarHBondContact O-N 2.93Å; W715-E718 VanDerWaalsContact O-N 3.16Å; Y716-E718 PolarHBondContact O-N 2.93Å; E718-T720 VanDerWaalsContact C-N 3.26Å; E718-T720 PolarHBondContact O-N 3.1Å; E718-K721 WeakPolarHBondContact O-CB 3.26Å; E718-K721 PolarHBondContact O-N 2.98Å; E718-K721 WeakPolarHBondContact OE1-CE 3.02Å; E718-K721 IonicContact OE1-NZ 3.55Å; E718-K721 PolarHBondContact OE1-NZ 2.83Å; E718-K721 WeakPolarHBondContact OE2-CE 3.36Å; E718-K721 IonicContact OE2-NZ 3.64Å; E718-K721 PolarHBondContact OE2-NZ 2.9Å; E718-L847 HydrophobicContact CB-CD2 4.02Å |
| 719 | L | 93.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -25.1 | 177 | -76.1 | 160.2 | 0 | 0 | 0 | 112.7 | A673 W676 W715 Y716 P722 T797 F843 L847 | A673-L719 HydrophobicContact CB-CB 3.69Å; A673-L719 HydrophobicContact CB-CD1 4.3Å; A673-L719 HydrophobicContact CB-CG 4.41Å; W676-L719 HydrophobicContact CE3-CD1 4.17Å; W676-L719 HydrophobicContact CZ3-CD1 3.91Å; W715-L719 HydrophobicContact CB-CD1 4.28Å; W715-L719 WeakPolarHBondContact O-CB 3.38Å; W715-L719 WeakPolarHBondContact O-CG 3.37Å; W715-L719 PolarHBondContact O-N 2.81Å; Y716-L719 CarbonylContact O-C 3.57Å; Y716-L719 WeakPolarHBondContact O-CA 3.22Å; Y716-L719 WeakPolarHBondContact O-CB 3.49Å; Y716-L719 PolarHBondContact O-N 3.18Å; L719-P722 WeakPolarHBondContact O-CD 3.32Å; L719-T797 HydrophobicContact CD1-CG2 4.44Å; L719-F843 HydrophobicContact CD2-CD1 4.39Å; L719-F843 WeakPolarHBondContact O-CE1 3.44Å; L719-L847 HydrophobicContact CD2-CD1 3.28Å; L719-L847 HydrophobicContact CG-CD1 3.88Å |
| 720 | T | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.7 | -22.9 | 175.8 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | Y716 L717 E718 V723 M724 T735 L739 | Y716-T720 HydrophobicContact CD1-CG2 4.41Å; Y716-T720 HydrophobicContact CD2-CG2 4.1Å; Y716-T720 HydrophobicContact CE1-CG2 3.98Å; Y716-T720 HydrophobicContact CE2-CG2 3.58Å; Y716-T720 HydrophobicContact CG-CG2 4.47Å; Y716-T720 WeakPolarHBondContact O-CG2 3.49Å; Y716-T720 PolarHBondContact O-N 3.12Å; L717-T720 PolarHBondContact O-OG1 3.5Å; E718-T720 VanDerWaalsContact C-N 3.26Å; E718-T720 PolarHBondContact O-N 3.1Å; T720-V723 PolarHBondContact O-N 3.39Å; T720-V723 VanDerWaalsContact O-N 3.16Å; T720-M724 WeakPolarHBondContact O-CG 3.15Å; T720-M724 PolarHBondContact O-N 3.33Å; T720-T735 HydrophobicContact CG2-CG2 3.51Å; T720-L739 HydrophobicContact CG2-CD1 4.36Å; T720-L739 HydrophobicContact CG2-CD2 4.11Å; T720-L739 HydrophobicContact CG2-CG 4.27Å |
| 721 | K | 92.2 | Very high | 93.7 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -40.7 | -172.5 | -65.2 | 178.7 | -176.5 | 174.4 | 0 | 114.9 | E718 V723 M724 N725 | E718-K721 WeakPolarHBondContact O-CB 3.26Å; E718-K721 PolarHBondContact O-N 2.98Å; E718-K721 WeakPolarHBondContact OE1-CE 3.02Å; E718-K721 IonicContact OE1-NZ 3.55Å; E718-K721 PolarHBondContact OE1-NZ 2.83Å; E718-K721 WeakPolarHBondContact OE2-CE 3.36Å; E718-K721 IonicContact OE2-NZ 3.64Å; E718-K721 PolarHBondContact OE2-NZ 2.9Å; K721-V723 VanDerWaalsContact C-N 3.32Å; K721-V723 PolarHBondContact O-N 2.97Å; K721-M724 PolarHBondContact O-N 3.33Å; K721-N725 WeakPolarHBondContact O-CB 3.29Å; K721-N725 VanDerWaalsContact O-CG 3.24Å; K721-N725 PolarHBondContact O-N 3.12Å; K721-N725 PolarHBondContact O-ND2 2.82Å |
| 722 | P | 89.6 | Confident | 93.7 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 176.3 | -25.2 | 36.6 | 0 | 0 | 0 | 112.6 | L719 N725 G726 F843 T846 | L719-P722 WeakPolarHBondContact O-CD 3.32Å; P722-N725 PolarHBondContact O-N 3.35Å; P722-G726 PolarHBondContact O-N 2.87Å; P722-F843 HydrophobicContact CB-CD1 4.19Å; P722-F843 HydrophobicContact CB-CE1 4.07Å; P722-F843 HydrophobicContact CG-CD1 3.83Å; P722-F843 HydrophobicContact CG-CE1 4.03Å; P722-T846 HydrophobicContact CG-CG2 4.02Å |
| 723 | V | 91.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | T720 K721 N725 G726 G727 E731 L732 F843 | T720-V723 PolarHBondContact O-N 3.39Å; T720-V723 VanDerWaalsContact O-N 3.16Å; K721-V723 VanDerWaalsContact C-N 3.32Å; K721-V723 PolarHBondContact O-N 2.97Å; V723-N725 PolarHBondContact O-N 3.12Å; V723-G726 PolarHBondContact O-N 3.31Å; V723-G727 WeakPolarHBondContact O-CA 3.27Å; V723-G727 PolarHBondContact O-N 3.32Å; V723-E731 HydrophobicContact CG1-CB 3.83Å; V723-L732 WeakPolarHBondContact O-CD2 3.4Å; V723-F843 HydrophobicContact CG2-CE1 4.16Å; V723-F843 HydrophobicContact CG2-CZ 3.83Å |
| 724 | M | 90.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 46 Ų | 46 | 16% | 0.158 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -27.7 | 177.2 | -68 | -64.4 | -168.2 | 0 | 0 | 113.8 | N655 T720 K721 L732 T735 R736 L739 | N655-M724 HydrophobicContact CB-CE 3.93Å; N655-M724 HydrophobicContact CB-SD 4.48Å; T720-M724 WeakPolarHBondContact O-CG 3.15Å; T720-M724 PolarHBondContact O-N 3.33Å; K721-M724 PolarHBondContact O-N 3.33Å; M724-L732 HydrophobicContact SD-CD2 4.13Å; M724-T735 HydrophobicContact CE-CG2 4.02Å; M724-R736 HydrophobicContact CE-CG 4.03Å; M724-L739 HydrophobicContact CE-CD1 3.26Å |
| 725 | N | 88.3 | Confident | 93.7 | Very high | 141 Ų | 141 | 42.8 Ų | 42.8 | 75% | 0.754 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | 0.5 | -177.2 | -71.4 | -27.6 | 0 | 0 | 0 | 114.4 | K721 P722 V723 | K721-N725 WeakPolarHBondContact O-CB 3.29Å; K721-N725 VanDerWaalsContact O-CG 3.24Å; K721-N725 PolarHBondContact O-N 3.12Å; K721-N725 PolarHBondContact O-ND2 2.82Å; P722-N725 PolarHBondContact O-N 3.35Å; V723-N725 PolarHBondContact O-N 3.12Å |
| 726 | G | 86.1 | Confident | 93.8 | Very high | 70 Ų | 70 | 42.7 Ų | 42.7 | 72% | 0.722 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 175.2 | 12.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | P722 V723 | P722-G726 PolarHBondContact O-N 2.87Å; V723-G726 PolarHBondContact O-N 3.31Å |
| 727 | G | 90 | Very high | 93.8 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | trans | -68.4 | 158.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | V723 E731 | V723-G727 WeakPolarHBondContact O-CA 3.27Å; V723-G727 PolarHBondContact O-N 3.32Å; G727-E731 WeakPolarHBondContact CA-OE2 3.28Å | ||
| 728 | T | 94.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | trans | -64 | 163.3 | 170.2 | 62 | 0 | 0 | 0 | 0 | 111.3 | A730 E731 L732 | T728-A730 PolarHBondContact O-N 2.84Å; T728-E731 WeakPolarHBondContact CB-OE2 3.44Å; T728-E731 WeakPolarHBondContact CG2-OE2 3.4Å; T728-E731 PolarHBondContact N-OE2 3.26Å; T728-E731 PolarHBondContact O-N 2.93Å; T728-E731 VanDerWaalsContact O-N 3.14Å; T728-E731 VanDerWaalsContact OG1-CD 3.32Å; T728-E731 VanDerWaalsContact OG1-CG 3.26Å; T728-E731 WeakPolarHBondContact OG1-CG 3.17Å; T728-E731 PolarHBondContact OG1-N 2.82Å; T728-E731 PolarHBondContact OG1-OE2 3.07Å; T728-L732 WeakPolarHBondContact O-CB 3.44Å; T728-L732 WeakPolarHBondContact O-CG 3.5Å; T728-L732 PolarHBondContact O-N 3.25Å | ||
| 729 | E | 94.7 | Very high | 94.2 | Very high | 157 Ų | 157 | 40.9 Ų | 40.9 | 73% | 0.734 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -57.3 | -36.4 | 177.2 | -67.1 | -174.2 | 169.3 | 0 | 0 | 112.7 | R733 | E729-R733 VanDerWaalsContact O-CB 3.27Å; E729-R733 WeakPolarHBondContact O-CB 3.49Å; E729-R733 PolarHBondContact O-N 2.73Å |
| 730 | A | 96.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E667 T669 T728 G734 | E667-A730 HydrophobicContact CB-CB 4.48Å; E667-A730 HydrophobicContact CG-CB 4.14Å; E667-A730 WeakPolarHBondContact O-CA 3.48Å; T669-A730 PolarHBondContact N-O 3.36Å; T728-A730 PolarHBondContact O-N 2.84Å; A730-G734 PolarHBondContact O-N 3.2Å |
| 731 | E | 95.9 | Very high | 94.6 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.1 | -44.5 | 174.7 | -69.7 | 165.8 | 136 | 0 | 0 | 111.4 | T669 V723 G727 T728 R733 G734 T735 | T669-E731 HydrophobicContact CG2-CG 4.02Å; V723-E731 HydrophobicContact CG1-CB 3.83Å; G727-E731 WeakPolarHBondContact CA-OE2 3.28Å; T728-E731 WeakPolarHBondContact CB-OE2 3.44Å; T728-E731 WeakPolarHBondContact CG2-OE2 3.4Å; T728-E731 PolarHBondContact N-OE2 3.26Å; T728-E731 PolarHBondContact O-N 2.93Å; T728-E731 VanDerWaalsContact O-N 3.14Å; T728-E731 VanDerWaalsContact OG1-CD 3.32Å; T728-E731 VanDerWaalsContact OG1-CG 3.26Å; T728-E731 WeakPolarHBondContact OG1-CG 3.17Å; T728-E731 PolarHBondContact OG1-N 2.82Å; T728-E731 PolarHBondContact OG1-OE2 3.07Å; E731-R733 VanDerWaalsContact C-N 3.34Å; E731-R733 PolarHBondContact O-N 3.35Å; E731-G734 PolarHBondContact O-N 2.96Å; E731-T735 PolarHBondContact O-N 2.83Å; E731-T735 PolarHBondContact O-OG1 2.89Å |
| 732 | L | 96.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.3 | -73 | 171.3 | 0 | 0 | 0 | 111.5 | V723 M724 T728 R736 | V723-L732 WeakPolarHBondContact O-CD2 3.4Å; M724-L732 HydrophobicContact SD-CD2 4.13Å; T728-L732 WeakPolarHBondContact O-CB 3.44Å; T728-L732 WeakPolarHBondContact O-CG 3.5Å; T728-L732 PolarHBondContact O-N 3.25Å; L732-R736 VanDerWaalsContact O-CB 3.32Å; L732-R736 WeakPolarHBondContact O-CB 3.41Å; L732-R736 WeakPolarHBondContact O-CD 3.48Å; L732-R736 WeakPolarHBondContact O-CG 3.47Å; L732-R736 PolarHBondContact O-N 2.95Å |
| 733 | R | 97 | Very high | 95.3 | Very high | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 175.2 | -171.7 | -173.7 | -69 | 113.5 | 6.9 | 111 | D660 E667 M668 E729 E731 R736 H737 | D660-R733 IonicContact OD1-NE 2.8Å; D660-R733 IonicContact OD2-CZ 3.6Å; D660-R733 VanDerWaalsContact OD2-CZ 3.26Å; D660-R733 IonicContact OD2-NE 3.27Å; D660-R733 PolarHBondContact OD2-NE 3.2Å; D660-R733 IonicContact OD2-NH2 2.93Å; D660-R733 PolarHBondContact OD2-NH2 2.71Å; E667-R733 WeakPolarHBondContact O-CD 3.33Å; E667-R733 PolarHBondContact O-NH1 2.7Å; M668-R733 HydrophobicContact CG-CB 4.3Å; M668-R733 HydrophobicContact CG-CG 3.77Å; M668-R733 HydrophobicContact SD-CG 4.33Å; E729-R733 VanDerWaalsContact O-CB 3.27Å; E729-R733 WeakPolarHBondContact O-CB 3.49Å; E729-R733 PolarHBondContact O-N 2.73Å; E731-R733 VanDerWaalsContact C-N 3.34Å; E731-R733 PolarHBondContact O-N 3.35Å; R733-R736 PolarHBondContact O-N 3.45Å; R733-H737 VanDerWaalsContact O-CB 3.29Å; R733-H737 WeakPolarHBondContact O-CB 3.17Å; R733-H737 PolarHBondContact O-N 3.18Å |
| 734 | G | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -52.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A730 E731 R736 H737 T738 | A730-G734 PolarHBondContact O-N 3.2Å; E731-G734 PolarHBondContact O-N 2.96Å; G734-R736 PolarHBondContact O-N 3.27Å; G734-H737 WeakPolarHBondContact O-CB 3.45Å; G734-H737 PolarHBondContact O-N 2.82Å; G734-T738 PolarHBondContact O-N 3.19Å; G734-T738 PolarHBondContact O-OG1 3.08Å |
| 735 | T | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | D674 T720 M724 E731 T738 L739 | D674-T735 PolarHBondContact OD2-OG1 2.88Å; T720-T735 HydrophobicContact CG2-CG2 3.51Å; M724-T735 HydrophobicContact CE-CG2 4.02Å; E731-T735 PolarHBondContact O-N 2.83Å; E731-T735 PolarHBondContact O-OG1 2.89Å; T735-T738 PolarHBondContact O-N 2.98Å; T735-L739 HydrophobicContact CG2-CD1 4.08Å; T735-L739 HydrophobicContact CG2-CG 4.48Å; T735-L739 WeakPolarHBondContact O-CB 3.45Å; T735-L739 WeakPolarHBondContact O-CG 3.19Å; T735-L739 PolarHBondContact O-N 2.85Å |
| 736 | R | 97.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 175 | -74.2 | 169.4 | 179.8 | 160.5 | -2 | 111.9 | N655 T656 D660 C661 M724 L732 R733 G734 T738 L739 V740 | N655-R736 PolarHBondContact O-NE 3.29Å; T656-R736 HydrophobicContact CG2-CB 4.2Å; T656-R736 HydrophobicContact CG2-CG 4.19Å; D660-R736 WeakPolarHBondContact O-CD 3.37Å; C661-R736 HydrophobicContact CB-CB 4.32Å; M724-R736 HydrophobicContact CE-CG 4.03Å; L732-R736 VanDerWaalsContact O-CB 3.32Å; L732-R736 WeakPolarHBondContact O-CB 3.41Å; L732-R736 WeakPolarHBondContact O-CD 3.48Å; L732-R736 WeakPolarHBondContact O-CG 3.47Å; L732-R736 PolarHBondContact O-N 2.95Å; R733-R736 PolarHBondContact O-N 3.45Å; G734-R736 PolarHBondContact O-N 3.27Å; R736-T738 VanDerWaalsContact C-N 3.35Å; R736-L739 PolarHBondContact O-N 2.95Å; R736-V740 WeakPolarHBondContact O-CG2 3.47Å; R736-V740 PolarHBondContact O-N 3.17Å; R736-V740 VanDerWaalsContact O-N 3.08Å |
| 737 | H | 97.8 | Very high | 97.1 | Very high | 46 Ų | 46 | 26.8 Ų | 26.8 | 21% | 0.213 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.5 | -50.6 | 174.4 | -175.2 | 78.9 | 0 | 0 | 0 | 110.6 | C661 F663 M668 R733 G734 V740 T741 | C661-H737 WeakPolarHBondContact O-CA 3.38Å; C661-H737 VanDerWaalsContact O-CB 3.29Å; C661-H737 WeakPolarHBondContact O-CB 3.19Å; C661-H737 PolarHBondContact O-ND1 2.83Å; F663-H737 AromaticContact CD1-CE1 3.91Å; F663-H737 AromaticContact CE1-CE1 3.58Å; F663-H737 AromaticContact CE1-ND1 3.82Å; F663-H737 AromaticContact CZ-CE1 4Å; F663-H737 AromaticContact CZ-ND1 3.84Å; M668-H737 HydrophobicContact SD-CB 3.72Å; R733-H737 VanDerWaalsContact O-CB 3.29Å; R733-H737 WeakPolarHBondContact O-CB 3.17Å; R733-H737 PolarHBondContact O-N 3.18Å; G734-H737 WeakPolarHBondContact O-CB 3.45Å; G734-H737 PolarHBondContact O-N 2.82Å; H737-V740 PolarHBondContact O-N 3.14Å; H737-T741 VanDerWaalsContact O-CB 3.32Å; H737-T741 WeakPolarHBondContact O-CB 3.47Å; H737-T741 PolarHBondContact O-N 3.09Å; H737-T741 PolarHBondContact O-OG1 3.26Å |
| 738 | T | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 179.7 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | D674 I677 L678 Y716 G734 T735 R736 V740 T741 V742 | D674-T738 HydrophobicContact CB-CG2 4.07Å; I677-T738 HydrophobicContact CG2-CG2 3.55Å; L678-T738 HydrophobicContact CD1-CG2 4.13Å; L678-T738 HydrophobicContact CD2-CG2 4.1Å; L678-T738 HydrophobicContact CG-CG2 3.82Å; Y716-T738 WeakPolarHBondContact OH-CB 3.04Å; Y716-T738 WeakPolarHBondContact OH-CG2 3.49Å; G734-T738 PolarHBondContact O-N 3.19Å; G734-T738 PolarHBondContact O-OG1 3.08Å; T735-T738 PolarHBondContact O-N 2.98Å; R736-T738 VanDerWaalsContact C-N 3.35Å; T738-V740 VanDerWaalsContact C-N 3.34Å; T738-V740 PolarHBondContact O-N 3.13Å; T738-T741 PolarHBondContact O-N 3.41Å; T738-V742 HydrophobicContact CG2-CG2 3.99Å; T738-V742 WeakPolarHBondContact O-CB 3.38Å; T738-V742 WeakPolarHBondContact O-CG2 3.43Å; T738-V742 PolarHBondContact O-N 2.59Å |
| 739 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | 175.7 | -79.7 | 164.3 | 0 | 0 | 0 | 112.1 | V652 Y716 L717 T720 M724 T735 R736 L743 | V652-L739 HydrophobicContact CG1-CB 4.07Å; V652-L739 HydrophobicContact CG2-CB 4.44Å; V652-L739 HydrophobicContact CG2-CD2 3.94Å; Y716-L739 HydrophobicContact CD1-CD2 4.11Å; Y716-L739 HydrophobicContact CE1-CD2 3.45Å; Y716-L739 VanDerWaalsContact CE1-CD2 3.45Å; Y716-L739 HydrophobicContact CE1-CG 3.96Å; L717-L739 HydrophobicContact CD2-CD2 3.61Å; T720-L739 HydrophobicContact CG2-CD1 4.36Å; T720-L739 HydrophobicContact CG2-CD2 4.11Å; T720-L739 HydrophobicContact CG2-CG 4.27Å; M724-L739 HydrophobicContact CE-CD1 3.26Å; T735-L739 HydrophobicContact CG2-CD1 4.08Å; T735-L739 HydrophobicContact CG2-CG 4.48Å; T735-L739 WeakPolarHBondContact O-CB 3.45Å; T735-L739 WeakPolarHBondContact O-CG 3.19Å; T735-L739 PolarHBondContact O-N 2.85Å; R736-L739 PolarHBondContact O-N 2.95Å; L739-L743 WeakPolarHBondContact O-CB 3.37Å; L739-L743 PolarHBondContact O-N 3.25Å |
| 740 | V | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.1 | -47.4 | 179.5 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | T656 F663 R736 H737 T738 V742 L743 E744 V765 L768 C769 | T656-V740 HydrophobicContact CG2-CG2 3.65Å; F663-V740 HydrophobicContact CE2-CB 3.81Å; F663-V740 HydrophobicContact CE2-CG1 3.55Å; F663-V740 HydrophobicContact CE2-CG2 4.36Å; F663-V740 HydrophobicContact CZ-CB 3.92Å; F663-V740 HydrophobicContact CZ-CG1 3.59Å; R736-V740 WeakPolarHBondContact O-CG2 3.47Å; R736-V740 PolarHBondContact O-N 3.17Å; R736-V740 VanDerWaalsContact O-N 3.08Å; H737-V740 PolarHBondContact O-N 3.14Å; T738-V740 VanDerWaalsContact C-N 3.34Å; T738-V740 PolarHBondContact O-N 3.13Å; V740-V742 PolarHBondContact O-N 2.77Å; V740-L743 PolarHBondContact O-N 2.76Å; V740-E744 VanDerWaalsContact O-CB 3.28Å; V740-E744 WeakPolarHBondContact O-CB 3.35Å; V740-E744 PolarHBondContact O-N 2.79Å; V740-V765 HydrophobicContact CG1-CG1 4.19Å; V740-L768 HydrophobicContact CG1-CB 4.02Å; V740-L768 HydrophobicContact CG2-CB 4.49Å; V740-L768 HydrophobicContact CG2-CD1 3.99Å; V740-C769 WeakPolarHBondContact CG1-SG 3.23Å |
| 741 | T | 97.8 | Very high | 98 | Very high | 48 Ų | 48 | 16 Ų | 16 | 29% | 0.294 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -61 | -46.1 | -178.5 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | L678 H737 T738 G745 | L678-T741 HydrophobicContact CD2-CG2 4.48Å; H737-T741 VanDerWaalsContact O-CB 3.32Å; H737-T741 WeakPolarHBondContact O-CB 3.47Å; H737-T741 PolarHBondContact O-N 3.09Å; H737-T741 PolarHBondContact O-OG1 3.26Å; T738-T741 PolarHBondContact O-N 3.41Å; T741-G745 PolarHBondContact O-N 3.24Å |
| 742 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | 178 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | I677 L678 F681 F707 F712 T738 V740 G745 L746 | I677-V742 HydrophobicContact CG1-CG1 4.13Å; I677-V742 HydrophobicContact CG1-CG2 4.33Å; I677-V742 HydrophobicContact CG2-CG2 4.08Å; L678-V742 HydrophobicContact CD2-CG2 3.9Å; F681-V742 HydrophobicContact CG-CG1 4.38Å; F707-V742 HydrophobicContact CE1-CG1 4.22Å; F707-V742 HydrophobicContact CZ-CG1 3.88Å; F712-V742 HydrophobicContact CD2-CG1 3.74Å; F712-V742 HydrophobicContact CE2-CB 4.24Å; F712-V742 HydrophobicContact CE2-CG1 3.71Å; T738-V742 HydrophobicContact CG2-CG2 3.99Å; T738-V742 WeakPolarHBondContact O-CB 3.38Å; T738-V742 WeakPolarHBondContact O-CG2 3.43Å; T738-V742 PolarHBondContact O-N 2.59Å; V740-V742 PolarHBondContact O-N 2.77Å; V742-G745 PolarHBondContact O-N 2.55Å; V742-L746 WeakPolarHBondContact O-CB 3.38Å; V742-L746 PolarHBondContact O-N 3.42Å |
| 743 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 178 | 177.9 | 60.9 | 0 | 0 | 0 | 111.6 | S649 V652 F712 L739 V740 G745 L746 L747 V765 | S649-L743 WeakPolarHBondContact OG-CD1 3.31Å; V652-L743 HydrophobicContact CB-CD2 3.74Å; V652-L743 HydrophobicContact CG1-CD2 3.69Å; V652-L743 HydrophobicContact CG2-CD2 4.03Å; F712-L743 HydrophobicContact CE1-CD1 4.38Å; F712-L743 HydrophobicContact CZ-CB 4.28Å; L739-L743 WeakPolarHBondContact O-CB 3.37Å; L739-L743 PolarHBondContact O-N 3.25Å; V740-L743 PolarHBondContact O-N 2.76Å; L743-G745 PolarHBondContact O-N 3.35Å; L743-L746 PolarHBondContact O-N 3.22Å; L743-L747 HydrophobicContact CD1-CD1 4.08Å; L743-L747 HydrophobicContact CD1-CD2 4.39Å; L743-L747 HydrophobicContact CD1-CG 4.05Å; L743-L747 HydrophobicContact CG-CD1 3.96Å; L743-L747 HydrophobicContact CG-CG 4.39Å; L743-L747 WeakPolarHBondContact O-CG 3.27Å; L743-L747 PolarHBondContact O-N 3.45Å; L743-V765 HydrophobicContact CD2-CG2 3.75Å; L743-V765 HydrophobicContact CG-CG2 4.23Å |
| 744 | E | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 9.3 Ų | 9.3 | 7% | 0.065 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 178.1 | -166.5 | -73.5 | 146.5 | 0 | 0 | 111.1 | V740 L746 L747 R748 W762 V765 I771 | V740-E744 VanDerWaalsContact O-CB 3.28Å; V740-E744 WeakPolarHBondContact O-CB 3.35Å; V740-E744 PolarHBondContact O-N 2.79Å; E744-L746 PolarHBondContact O-N 3.01Å; E744-L747 PolarHBondContact O-N 3.17Å; E744-R748 PolarHBondContact O-N 2.81Å; E744-R748 VanDerWaalsContact O-N 3.15Å; E744-R748 VanDerWaalsContact OE1-CD 3.25Å; E744-R748 WeakPolarHBondContact OE1-CD 3.31Å; E744-R748 IonicContact OE1-CZ 2.76Å; E744-R748 IonicContact OE1-NE 2.76Å; E744-R748 PolarHBondContact OE1-NE 3.15Å; E744-R748 IonicContact OE2-CZ 2.82Å; E744-R748 IonicContact OE2-NE 2.75Å; E744-R748 PolarHBondContact OE2-NE 3.37Å; E744-R748 IonicContact OE2-NH2 3.42Å; E744-R748 PolarHBondContact OE2-NH2 3.2Å; E744-W762 PolarHBondContact OE1-NE1 2.91Å; E744-V765 HydrophobicContact CB-CG1 3.7Å; E744-V765 HydrophobicContact CG-CG1 4.04Å; E744-I771 HydrophobicContact CG-CD1 4.36Å |
| 745 | G | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T741 V742 L743 L747 R748 L749 P782 | T741-G745 PolarHBondContact O-N 3.24Å; V742-G745 PolarHBondContact O-N 2.55Å; L743-G745 PolarHBondContact O-N 3.35Å; G745-L747 VanDerWaalsContact C-N 3.35Å; G745-L747 PolarHBondContact O-N 2.85Å; G745-R748 PolarHBondContact O-N 3.44Å; G745-L749 WeakPolarHBondContact O-CB 3.33Å; G745-L749 PolarHBondContact O-N 2.94Å; G745-P782 WeakPolarHBondContact O-CG 3.33Å |
| 746 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 178.3 | 173.8 | 58.3 | 0 | 0 | 0 | 111.5 | L645 F681 L704 F707 T708 F712 V742 L743 E744 R748 L749 A750 | L645-L746 HydrophobicContact CD1-CD2 4.29Å; F681-L746 HydrophobicContact CE2-CB 4.22Å; L704-L746 HydrophobicContact CD1-CD1 3.71Å; F707-L746 HydrophobicContact CD1-CD1 3.83Å; F707-L746 HydrophobicContact CD1-CD2 4.39Å; F707-L746 HydrophobicContact CE1-CD1 4.08Å; F707-L746 HydrophobicContact CE1-CD2 4.17Å; F707-L746 HydrophobicContact CE1-CG 4.48Å; T708-L746 HydrophobicContact CG2-CD2 4.11Å; T708-L746 WeakPolarHBondContact OG1-CD1 3.45Å; F712-L746 HydrophobicContact CD1-CD2 4.1Å; F712-L746 HydrophobicContact CE1-CD2 4.5Å; F712-L746 HydrophobicContact CG-CD2 4.45Å; V742-L746 WeakPolarHBondContact O-CB 3.38Å; V742-L746 PolarHBondContact O-N 3.42Å; L743-L746 PolarHBondContact O-N 3.22Å; E744-L746 PolarHBondContact O-N 3.01Å; L746-R748 VanDerWaalsContact C-N 3.33Å; L746-R748 PolarHBondContact O-N 2.83Å; L746-L749 WeakPolarHBondContact O-CB 3.17Å; L746-L749 PolarHBondContact O-N 3.18Å; L746-A750 VanDerWaalsContact O-CB 3.27Å; L746-A750 WeakPolarHBondContact O-CB 3.05Å; L746-A750 PolarHBondContact O-N 3.44Å |
| 747 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.2 | -66.6 | 165.7 | 0 | 0 | 0 | 110.8 | L743 E744 G745 A750 H751 T758 I761 W762 V765 I776 | L743-L747 HydrophobicContact CD1-CD1 4.08Å; L743-L747 HydrophobicContact CD1-CD2 4.39Å; L743-L747 HydrophobicContact CD1-CG 4.05Å; L743-L747 HydrophobicContact CG-CD1 3.96Å; L743-L747 HydrophobicContact CG-CG 4.39Å; L743-L747 WeakPolarHBondContact O-CG 3.27Å; L743-L747 PolarHBondContact O-N 3.45Å; E744-L747 PolarHBondContact O-N 3.17Å; G745-L747 VanDerWaalsContact C-N 3.35Å; G745-L747 PolarHBondContact O-N 2.85Å; L747-A750 PolarHBondContact O-N 3.09Å; L747-H751 WeakPolarHBondContact O-CB 3.2Å; L747-H751 PolarHBondContact O-N 2.71Å; L747-T758 HydrophobicContact CD2-CG2 4.22Å; L747-I761 HydrophobicContact CD1-CB 4.08Å; L747-I761 HydrophobicContact CD1-CG2 3.53Å; L747-I761 HydrophobicContact CD2-CB 3.88Å; L747-I761 HydrophobicContact CD2-CD1 4.08Å; L747-I761 HydrophobicContact CD2-CG2 3.89Å; L747-I761 HydrophobicContact CG-CG2 4.36Å; L747-W762 HydrophobicContact CB-CB 4.48Å; L747-W762 HydrophobicContact CD1-CB 4.16Å; L747-V765 HydrophobicContact CD1-CB 4.39Å; L747-V765 HydrophobicContact CD1-CG2 3.97Å; L747-I776 HydrophobicContact CB-CD1 3.94Å |
| 748 | R | 98.7 | Very high | 98.5 | Very high | 42 Ų | 42 | 5.3 Ų | 5.3 | 16% | 0.158 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 173.6 | -74.1 | -173.1 | -70.6 | 114.1 | 3.4 | 112.1 | M68 E744 G745 L746 A750 H751 I776 Q779 P780 F781 P782 | M68-R748 HydrophobicContact CE-CB 3.88Å; M68-R748 HydrophobicContact CE-CG 4.13Å; M68-R748 WeakPolarHBondContact CE-O 3.19Å; E744-R748 PolarHBondContact O-N 2.81Å; E744-R748 VanDerWaalsContact O-N 3.15Å; E744-R748 VanDerWaalsContact OE1-CD 3.25Å; E744-R748 WeakPolarHBondContact OE1-CD 3.31Å; E744-R748 IonicContact OE1-CZ 2.76Å; E744-R748 IonicContact OE1-NE 2.76Å; E744-R748 PolarHBondContact OE1-NE 3.15Å; E744-R748 IonicContact OE2-CZ 2.82Å; E744-R748 IonicContact OE2-NE 2.75Å; E744-R748 PolarHBondContact OE2-NE 3.37Å; E744-R748 IonicContact OE2-NH2 3.42Å; E744-R748 PolarHBondContact OE2-NH2 3.2Å; G745-R748 PolarHBondContact O-N 3.44Å; L746-R748 VanDerWaalsContact C-N 3.33Å; L746-R748 PolarHBondContact O-N 2.83Å; R748-A750 VanDerWaalsContact C-N 3.31Å; R748-A750 PolarHBondContact O-N 2.98Å; R748-H751 PolarHBondContact O-N 3.38Å; R748-I776 HydrophobicContact CG-CD1 4Å; R748-I776 HydrophobicContact CG-CG1 3.7Å; R748-Q779 HydrophobicContact CG-CB 4.41Å; R748-P780 PolarHBondContact NH1-O 2.82Å; R748-F781 WeakPolarHBondContact O-CE2 3.39Å; R748-P782 HydrophobicContact CB-CG 4.04Å |
| 749 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 177.9 | -163.3 | 74.7 | 0 | 0 | 0 | 111.8 | F681 T684 I685 Y688 G745 L746 P752 F781 P782 | F681-L749 HydrophobicContact CE2-CD2 3.96Å; T684-L749 HydrophobicContact CG2-CD2 3.97Å; I685-L749 HydrophobicContact CG1-CD1 4.21Å; Y688-L749 HydrophobicContact CD1-CD1 3.62Å; Y688-L749 HydrophobicContact CD1-CG 3.85Å; Y688-L749 HydrophobicContact CE1-CD1 4.21Å; Y688-L749 HydrophobicContact CE1-CG 4.14Å; Y688-L749 WeakPolarHBondContact CE1-O 3.39Å; Y688-L749 HydrophobicContact CG-CD1 4.15Å; Y688-L749 HydrophobicContact CG-CD2 4.35Å; Y688-L749 HydrophobicContact CG-CG 4.16Å; Y688-L749 PolarHBondContact OH-O 3.22Å; G745-L749 WeakPolarHBondContact O-CB 3.33Å; G745-L749 PolarHBondContact O-N 2.94Å; L746-L749 WeakPolarHBondContact O-CB 3.17Å; L746-L749 PolarHBondContact O-N 3.18Å; L749-P752 WeakPolarHBondContact O-CD 3.5Å; L749-F781 HydrophobicContact CD1-CE1 3.66Å; L749-F781 HydrophobicContact CD1-CZ 3.68Å; L749-F781 HydrophobicContact CG-CZ 4.38Å; L749-P782 HydrophobicContact CB-CG 4.28Å; L749-P782 HydrophobicContact CD1-CB 4.36Å; L749-P782 HydrophobicContact CD1-CG 4.23Å |
| 750 | A | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 7 Ų | 7 | 2% | 0.017 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -80.6 | -24 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L704 L746 L747 R748 P752 I753 I754 T758 | L704-A750 HydrophobicContact CD1-CB 3.86Å; L704-A750 HydrophobicContact CD2-CB 3.8Å; L704-A750 HydrophobicContact CG-CB 4.42Å; L746-A750 VanDerWaalsContact O-CB 3.27Å; L746-A750 WeakPolarHBondContact O-CB 3.05Å; L746-A750 PolarHBondContact O-N 3.44Å; L747-A750 PolarHBondContact O-N 3.09Å; R748-A750 VanDerWaalsContact C-N 3.31Å; R748-A750 PolarHBondContact O-N 2.98Å; A750-P752 VanDerWaalsContact C-CD 3.44Å; A750-I753 PolarHBondContact O-N 2.84Å; A750-I753 VanDerWaalsContact O-N 3.07Å; A750-I754 HydrophobicContact CB-CD1 4Å; A750-I754 HydrophobicContact CB-CG1 3.91Å; A750-I754 WeakPolarHBondContact O-CG1 3.31Å; A750-I754 PolarHBondContact O-N 3.28Å; A750-T758 HydrophobicContact CB-CG2 3.68Å |
| 751 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -39.5 | -171.4 | -174.8 | 67.9 | 0 | 0 | 0 | 115.5 | R64 M68 L747 R748 I753 P755 T758 I776 M777 | R64-H751 PolarHBondContact NH1-NE2 3.11Å; R64-H751 VanDerWaalsContact NH1-NE2 3.14Å; M68-H751 HydrophobicContact SD-CB 4.34Å; L747-H751 WeakPolarHBondContact O-CB 3.2Å; L747-H751 PolarHBondContact O-N 2.71Å; R748-H751 PolarHBondContact O-N 3.38Å; H751-I753 PolarHBondContact O-N 3.31Å; H751-P755 PolarHBondContact CE1-O 3.09Å; H751-P755 WeakPolarHBondContact ND1-CA 3.46Å; H751-P755 PolarHBondContact ND1-O 3.04Å; H751-P755 WeakPolarHBondContact O-CA 3.38Å; H751-T758 WeakPolarHBondContact CA-OG1 3.32Å; H751-T758 PolarHBondContact ND1-OG1 2.67Å; H751-I776 HydrophobicContact CB-CD1 4.15Å; H751-I776 HydrophobicContact CB-CG2 4.38Å; H751-I776 WeakPolarHBondContact CE1-CG2 3.36Å; H751-I776 WeakPolarHBondContact ND1-CG2 3.47Å; H751-M777 VanDerWaalsContact NE2-CB 3.28Å; H751-M777 WeakPolarHBondContact NE2-CB 3.31Å |
| 752 | P | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -35.3 | 177.5 | -28.7 | 37.6 | 0 | 0 | 0 | 114.1 | T61 R64 M68 R615 L749 A750 F781 | T61-P752 WeakPolarHBondContact CA-O 3.31Å; T61-P752 HydrophobicContact CG2-CB 3.91Å; T61-P752 PolarHBondContact OG1-O 2.85Å; R64-P752 HydrophobicContact CB-CB 4.04Å; R64-P752 HydrophobicContact CB-CG 4.4Å; M68-P752 HydrophobicContact SD-CG 4.23Å; R615-P752 PolarHBondContact NH2-O 3.09Å; R615-P752 VanDerWaalsContact NH2-O 3.09Å; L749-P752 WeakPolarHBondContact O-CD 3.5Å; A750-P752 VanDerWaalsContact C-CD 3.44Å; P752-F781 HydrophobicContact CG-CD2 4.46Å; P752-F781 HydrophobicContact CG-CE2 3.67Å; P752-F781 HydrophobicContact CG-CZ 4.44Å |
| 753 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -46.3 | -178.4 | -59.1 | 179.6 | 0 | 0 | 0 | 111 | T61 R615 F616 A619 Y688 L704 A750 H751 P755 | T61-I753 HydrophobicContact CG2-CG1 3.8Å; R615-I753 WeakPolarHBondContact CB-O 3.43Å; R615-I753 PolarHBondContact NE-O 2.84Å; F616-I753 HydrophobicContact CB-CG2 4.23Å; F616-I753 HydrophobicContact CD2-CG2 4.03Å; F616-I753 HydrophobicContact CG-CG2 4.29Å; A619-I753 HydrophobicContact CB-CD1 4.23Å; A619-I753 HydrophobicContact CB-CG2 3.99Å; Y688-I753 HydrophobicContact CE2-CD1 4.35Å; Y688-I753 VanDerWaalsContact OH-CD1 3.25Å; Y688-I753 WeakPolarHBondContact OH-CD1 3.38Å; L704-I753 HydrophobicContact CD2-CD1 4.42Å; A750-I753 PolarHBondContact O-N 2.84Å; A750-I753 VanDerWaalsContact O-N 3.07Å; H751-I753 PolarHBondContact O-N 3.31Å; I753-P755 VanDerWaalsContact C-CD 3.47Å; I753-P755 VanDerWaalsContact O-CD 3.25Å; I753-P755 WeakPolarHBondContact O-CD 3.14Å |
| 754 | I | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | trans | -120.6 | 70.4 | -173.7 | 49.4 | 165.1 | 0 | 0 | 0 | 112.4 | D612 F616 F641 L645 A750 F756 I757 T758 | D612-I754 HydrophobicContact CB-CB 3.85Å; D612-I754 HydrophobicContact CB-CG2 3.7Å; D612-I754 WeakPolarHBondContact O-CG2 3.49Å; D612-I754 VanDerWaalsContact OD1-CA 3.25Å; D612-I754 WeakPolarHBondContact OD1-CA 3.35Å; F616-I754 HydrophobicContact CB-CG2 3.99Å; F616-I754 HydrophobicContact CD2-CG2 3.8Å; F616-I754 HydrophobicContact CG-CG2 4.41Å; F641-I754 HydrophobicContact CE1-CD1 4.18Å; L645-I754 HydrophobicContact CD2-CD1 3.86Å; A750-I754 HydrophobicContact CB-CD1 4Å; A750-I754 HydrophobicContact CB-CG1 3.91Å; A750-I754 WeakPolarHBondContact O-CG1 3.31Å; A750-I754 PolarHBondContact O-N 3.28Å; I754-F756 PolarHBondContact O-N 3Å; I754-I757 HydrophobicContact CB-CG2 4.17Å; I754-I757 HydrophobicContact CD1-CG2 3.85Å; I754-I757 HydrophobicContact CG1-CG2 4.33Å; I754-T758 HydrophobicContact CD1-CG2 4.02Å; I754-T758 HydrophobicContact CG1-CG2 3.83Å; I754-T758 WeakPolarHBondContact O-CB 3.25Å; I754-T758 WeakPolarHBondContact O-CG2 3.47Å; I754-T758 PolarHBondContact O-OG1 3.09Å | ||
| 755 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -70.1 | -27.3 | -165.9 | 27.7 | -37.2 | 0 | 0 | 0 | 115.1 | W18 R64 D612 H751 I753 T758 E759 | W18-P755 HydrophobicContact CH2-CB 3.92Å; R64-P755 VanDerWaalsContact CZ-CB 3.47Å; D612-P755 WeakPolarHBondContact OD1-CD 3.39Å; D612-P755 VanDerWaalsContact OD1-N 3.13Å; H751-P755 PolarHBondContact CE1-O 3.09Å; H751-P755 WeakPolarHBondContact ND1-CA 3.46Å; H751-P755 PolarHBondContact ND1-O 3.04Å; H751-P755 WeakPolarHBondContact O-CA 3.38Å; I753-P755 VanDerWaalsContact C-CD 3.47Å; I753-P755 VanDerWaalsContact O-CD 3.25Å; I753-P755 WeakPolarHBondContact O-CD 3.14Å; P755-T758 WeakPolarHBondContact CA-OG1 3.28Å; P755-T758 PolarHBondContact O-OG1 3.29Å; P755-E759 VanDerWaalsContact O-CB 3.29Å; P755-E759 WeakPolarHBondContact O-CB 3.39Å; P755-E759 PolarHBondContact O-N 2.93Å |
| 756 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -76.9 | -53.3 | -171.6 | -67.1 | -77.7 | 0 | 0 | 0 | 112.2 | I10 E11 L14 Y15 W18 G133 T611 D612 I754 T758 T760 | I10-F756 HydrophobicContact CD1-CB 4.24Å; E11-F756 HydrophobicContact CB-CD1 4.08Å; E11-F756 HydrophobicContact CB-CE1 4.14Å; E11-F756 HydrophobicContact CB-CG 4.33Å; E11-F756 HydrophobicContact CB-CZ 4.44Å; E11-F756 HydrophobicContact CG-CB 4.03Å; E11-F756 HydrophobicContact CG-CD1 4.01Å; E11-F756 HydrophobicContact CG-CD2 3.97Å; E11-F756 HydrophobicContact CG-CE1 4.4Å; E11-F756 HydrophobicContact CG-CE2 4.38Å; E11-F756 HydrophobicContact CG-CG 3.75Å; E11-F756 WeakPolarHBondContact O-CE1 3.48Å; L14-F756 HydrophobicContact CB-CD1 4.4Å; L14-F756 HydrophobicContact CD2-CD1 4.13Å; L14-F756 HydrophobicContact CG-CD1 4.49Å; Y15-F756 HydrophobicContact CD2-CE1 4.41Å; Y15-F756 HydrophobicContact CD2-CZ 4.26Å; W18-F756 HydrophobicContact CE3-CE1 4.37Å; W18-F756 AromaticContact CH2-CD1 3.76Å; W18-F756 HydrophobicContact CH2-CD1 3.76Å; W18-F756 HydrophobicContact CH2-CE1 4.06Å; W18-F756 HydrophobicContact CH2-CG 4.29Å; W18-F756 AromaticContact CZ3-CD1 3.71Å; W18-F756 HydrophobicContact CZ3-CD1 3.71Å; W18-F756 AromaticContact CZ3-CE1 3.5Å; W18-F756 HydrophobicContact CZ3-CE1 3.5Å; W18-F756 HydrophobicContact CZ3-CG 4.47Å; W18-F756 HydrophobicContact CZ3-CZ 4.12Å; G133-F756 VanDerWaalsContact CA-CZ 3.42Å; T611-F756 HydrophobicContact CG2-CD2 4.17Å; T611-F756 HydrophobicContact CG2-CE2 3.62Å; D612-F756 WeakPolarHBondContact OD1-CD2 3.1Å; D612-F756 PolarHBondContact OD1-N 3.17Å; D612-F756 WeakPolarHBondContact OD2-CB 3.46Å; D612-F756 PolarHBondContact OD2-N 2.96Å; I754-F756 PolarHBondContact O-N 3Å; F756-T758 VanDerWaalsContact C-N 3.31Å; F756-T758 PolarHBondContact O-N 3.13Å; F756-T760 WeakPolarHBondContact O-CB 3.35Å; F756-T760 PolarHBondContact O-N 2.85Å; F756-T760 PolarHBondContact O-OG1 3.27Å |
| 757 | I | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | -179.1 | -162.8 | 176.9 | 0 | 0 | 0 | 110.7 | Y5 D612 C642 L645 W646 I754 T760 I761 | Y5-I757 HydrophobicContact CD2-CD1 4.22Å; Y5-I757 HydrophobicContact CD2-CG1 4.45Å; Y5-I757 HydrophobicContact CE1-CD1 4.17Å; Y5-I757 HydrophobicContact CE2-CB 4.38Å; Y5-I757 HydrophobicContact CE2-CD1 3.83Å; Y5-I757 HydrophobicContact CE2-CG1 3.87Å; D612-I757 VanDerWaalsContact OD2-CB 3.27Å; D612-I757 WeakPolarHBondContact OD2-CB 3.22Å; D612-I757 WeakPolarHBondContact OD2-CG2 3.41Å; D612-I757 PolarHBondContact OD2-N 3.49Å; C642-I757 HydrophobicContact CB-CD1 3.93Å; C642-I757 VanDerWaalsContact O-CD1 3.23Å; C642-I757 WeakPolarHBondContact O-CD1 3.5Å; L645-I757 HydrophobicContact CD2-CG2 4.26Å; W646-I757 HydrophobicContact CB-CD1 4.33Å; W646-I757 HydrophobicContact CE3-CD1 4.49Å; W646-I757 HydrophobicContact CE3-CG1 4.18Å; I754-I757 HydrophobicContact CB-CG2 4.17Å; I754-I757 HydrophobicContact CD1-CG2 3.85Å; I754-I757 HydrophobicContact CG1-CG2 4.33Å; I757-T760 PolarHBondContact O-N 2.89Å; I757-I761 HydrophobicContact CD1-CD1 4.35Å; I757-I761 HydrophobicContact CG1-CD1 3.75Å; I757-I761 HydrophobicContact CG1-CG1 4.47Å; I757-I761 WeakPolarHBondContact O-CB 3.36Å; I757-I761 WeakPolarHBondContact O-CD1 3.4Å; I757-I761 WeakPolarHBondContact O-CG1 3.38Å; I757-I761 PolarHBondContact O-N 3.44Å |
| 758 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.8 | -49.1 | -177.9 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | L747 A750 H751 I754 P755 F756 I761 W762 | L747-T758 HydrophobicContact CD2-CG2 4.22Å; A750-T758 HydrophobicContact CB-CG2 3.68Å; H751-T758 WeakPolarHBondContact CA-OG1 3.32Å; H751-T758 PolarHBondContact ND1-OG1 2.67Å; I754-T758 HydrophobicContact CD1-CG2 4.02Å; I754-T758 HydrophobicContact CG1-CG2 3.83Å; I754-T758 WeakPolarHBondContact O-CB 3.25Å; I754-T758 WeakPolarHBondContact O-CG2 3.47Å; I754-T758 PolarHBondContact O-OG1 3.09Å; P755-T758 WeakPolarHBondContact CA-OG1 3.28Å; P755-T758 PolarHBondContact O-OG1 3.29Å; F756-T758 VanDerWaalsContact C-N 3.31Å; F756-T758 PolarHBondContact O-N 3.13Å; T758-I761 PolarHBondContact O-N 3.03Å; T758-W762 WeakPolarHBondContact O-CB 3.5Å; T758-W762 PolarHBondContact O-N 2.97Å |
| 759 | E | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 174.6 | 173.1 | 78.7 | 144 | 0 | 0 | 111.1 | L14 W18 P755 I761 W762 Q763 T775 I776 | L14-E759 HydrophobicContact CD1-CG 3.82Å; L14-E759 HydrophobicContact CD2-CB 3.94Å; L14-E759 HydrophobicContact CD2-CG 3.76Å; L14-E759 HydrophobicContact CG-CG 4.29Å; W18-E759 HydrophobicContact CZ2-CB 3.69Å; W18-E759 HydrophobicContact CZ2-CG 3.68Å; W18-E759 PolarHBondContact NE1-OE1 2.77Å; P755-E759 VanDerWaalsContact O-CB 3.29Å; P755-E759 WeakPolarHBondContact O-CB 3.39Å; P755-E759 PolarHBondContact O-N 2.93Å; E759-I761 VanDerWaalsContact C-N 3.29Å; E759-I761 PolarHBondContact O-N 3.24Å; E759-W762 PolarHBondContact O-N 3.37Å; E759-W762 VanDerWaalsContact O-N 3.11Å; E759-Q763 WeakPolarHBondContact O-CG 3.3Å; E759-Q763 PolarHBondContact O-N 2.79Å; E759-Q763 PolarHBondContact OE1-NE2 3.22Å; E759-Q763 PolarHBondContact OE2-NE2 3.42Å; E759-T775 VanDerWaalsContact OE1-CB 3.3Å; E759-T775 WeakPolarHBondContact OE1-CB 3.48Å; E759-T775 PolarHBondContact OE1-OG1 3.07Å; E759-I776 HydrophobicContact CB-CG2 3.91Å; E759-I776 HydrophobicContact CG-CG2 4.47Å; E759-I776 WeakPolarHBondContact OE2-CB 3.34Å; E759-I776 WeakPolarHBondContact OE2-CG2 3.48Å; E759-I776 PolarHBondContact OE2-N 2.79Å |
| 760 | T | 98 | Very high | 97.4 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 22% | 0.221 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.5 | -44 | -179.3 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | I10 W646 F756 I757 | I10-T760 HydrophobicContact CG2-CG2 4Å; W646-T760 HydrophobicContact CH2-CG2 4.35Å; W646-T760 HydrophobicContact CZ3-CG2 4.06Å; F756-T760 WeakPolarHBondContact O-CB 3.35Å; F756-T760 PolarHBondContact O-N 2.85Å; F756-T760 PolarHBondContact O-OG1 3.27Å; I757-T760 PolarHBondContact O-N 2.89Å |
| 761 | I | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.4 | -44.6 | 177.3 | -64.2 | 163.7 | 0 | 0 | 0 | 110 | M1 L645 W646 L747 I757 T758 E759 Q763 R764 V765 | M1-I761 HydrophobicContact CE-CG1 3.92Å; L645-I761 HydrophobicContact CG-CD1 4.24Å; W646-I761 HydrophobicContact CE3-CD1 4.24Å; W646-I761 HydrophobicContact CE3-CG1 4.07Å; W646-I761 HydrophobicContact CZ3-CG1 4.26Å; L747-I761 HydrophobicContact CD1-CB 4.08Å; L747-I761 HydrophobicContact CD1-CG2 3.53Å; L747-I761 HydrophobicContact CD2-CB 3.88Å; L747-I761 HydrophobicContact CD2-CD1 4.08Å; L747-I761 HydrophobicContact CD2-CG2 3.89Å; L747-I761 HydrophobicContact CG-CG2 4.36Å; I757-I761 HydrophobicContact CD1-CD1 4.35Å; I757-I761 HydrophobicContact CG1-CD1 3.75Å; I757-I761 HydrophobicContact CG1-CG1 4.47Å; I757-I761 WeakPolarHBondContact O-CB 3.36Å; I757-I761 WeakPolarHBondContact O-CD1 3.4Å; I757-I761 WeakPolarHBondContact O-CG1 3.38Å; I757-I761 PolarHBondContact O-N 3.44Å; T758-I761 PolarHBondContact O-N 3.03Å; E759-I761 VanDerWaalsContact C-N 3.29Å; E759-I761 PolarHBondContact O-N 3.24Å; I761-Q763 VanDerWaalsContact C-N 3.29Å; I761-Q763 PolarHBondContact O-N 3.07Å; I761-R764 PolarHBondContact O-N 3.29Å; I761-V765 HydrophobicContact CG2-CG2 4.04Å; I761-V765 PolarHBondContact O-N 2.88Å |
| 762 | W | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -35.1 | -176.3 | -177.1 | 89 | 0 | 0 | 0 | 112.7 | E744 L747 T758 E759 R764 V765 K766 I771 A773 T775 I776 Q779 | E744-W762 PolarHBondContact OE1-NE1 2.91Å; L747-W762 HydrophobicContact CB-CB 4.48Å; L747-W762 HydrophobicContact CD1-CB 4.16Å; T758-W762 WeakPolarHBondContact O-CB 3.5Å; T758-W762 PolarHBondContact O-N 2.97Å; E759-W762 PolarHBondContact O-N 3.37Å; E759-W762 VanDerWaalsContact O-N 3.11Å; W762-R764 PolarHBondContact O-N 3.26Å; W762-V765 PolarHBondContact O-N 3.02Å; W762-K766 HydrophobicContact CD2-CB 4.1Å; W762-K766 HydrophobicContact CE3-CB 4.25Å; W762-K766 HydrophobicContact CE3-CD 3.9Å; W762-K766 HydrophobicContact CH2-CB 3.95Å; W762-K766 HydrophobicContact CH2-CD 3.59Å; W762-K766 HydrophobicContact CH2-CG 4.41Å; W762-K766 HydrophobicContact CZ2-CB 3.77Å; W762-K766 HydrophobicContact CZ2-CD 4.3Å; W762-K766 HydrophobicContact CZ3-CB 4.2Å; W762-K766 HydrophobicContact CZ3-CD 3.36Å; W762-K766 HydrophobicContact CZ3-CG 4.36Å; W762-K766 WeakPolarHBondContact O-CB 3.19Å; W762-K766 PolarHBondContact O-N 2.8Å; W762-I771 HydrophobicContact CH2-CG2 4.08Å; W762-I771 HydrophobicContact CZ2-CD1 4.44Å; W762-I771 HydrophobicContact CZ2-CG2 3.84Å; W762-A773 HydrophobicContact CH2-CB 4.4Å; W762-T775 VanDerWaalsContact CZ3-C 3.43Å; W762-I776 HydrophobicContact CB-CB 4.22Å; W762-I776 HydrophobicContact CB-CD1 3.63Å; W762-I776 HydrophobicContact CB-CG1 4.17Å; W762-I776 HydrophobicContact CD2-CB 3.62Å; W762-I776 HydrophobicContact CD2-CD1 4.26Å; W762-I776 HydrophobicContact CD2-CG1 3.8Å; W762-I776 HydrophobicContact CE3-CB 3.73Å; W762-I776 HydrophobicContact CE3-CG1 4.43Å; W762-I776 HydrophobicContact CG-CB 3.83Å; W762-I776 HydrophobicContact CG-CD1 3.55Å; W762-I776 HydrophobicContact CG-CG1 3.64Å; W762-I776 HydrophobicContact CZ3-CB 4.36Å; W762-I776 VanDerWaalsContact CZ3-N 3.34Å; W762-Q779 HydrophobicContact CH2-CG 3.91Å; W762-Q779 HydrophobicContact CZ2-CG 3.47Å; W762-Q779 VanDerWaalsContact CZ2-CG 3.47Å |
| 763 | Q | 97.6 | Very high | 96.9 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 29% | 0.285 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.7 | -26.7 | 174.2 | -69.9 | -60.5 | -23.9 | 0 | 0 | 113.7 | E759 I761 D774 | E759-Q763 WeakPolarHBondContact O-CG 3.3Å; E759-Q763 PolarHBondContact O-N 2.79Å; E759-Q763 PolarHBondContact OE1-NE2 3.22Å; E759-Q763 PolarHBondContact OE2-NE2 3.42Å; I761-Q763 VanDerWaalsContact C-N 3.29Å; I761-Q763 PolarHBondContact O-N 3.07Å; Q763-D774 PolarHBondContact NE2-O 3.21Å |
| 764 | R | 96 | Very high | 96.7 | Very high | 84 Ų | 84 | 35.5 Ų | 35.5 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -87.5 | -43.4 | 172.6 | -57.8 | -167.1 | 77.3 | -145.7 | 1.6 | 112.1 | L653 E657 I761 W762 K766 V767 | L653-R764 HydrophobicContact CD1-CB 3.98Å; L653-R764 HydrophobicContact CD2-CB 4.45Å; E657-R764 IonicContact OE1-CZ 3.26Å; E657-R764 IonicContact OE1-NE 3.41Å; E657-R764 PolarHBondContact OE1-NE 2.84Å; E657-R764 IonicContact OE1-NH1 3.86Å; E657-R764 PolarHBondContact OE1-NH1 3.29Å; E657-R764 VanDerWaalsContact OE1-NH1 3.13Å; E657-R764 IonicContact OE1-NH2 2.75Å; E657-R764 PolarHBondContact OE1-NH2 3.11Å; E657-R764 IonicContact OE2-CZ 3.83Å; E657-R764 IonicContact OE2-NH1 3.53Å; E657-R764 PolarHBondContact OE2-NH1 3.45Å; E657-R764 IonicContact OE2-NH2 2.88Å; E657-R764 PolarHBondContact OE2-NH2 3.18Å; I761-R764 PolarHBondContact O-N 3.29Å; W762-R764 PolarHBondContact O-N 3.26Å; R764-K766 VanDerWaalsContact C-N 3.33Å; R764-K766 PolarHBondContact O-N 2.9Å; R764-V767 PolarHBondContact O-N 2.91Å |
| 765 | V | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | -177.7 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | L653 V740 L743 E744 L747 I761 W762 V767 L768 C769 | L653-V765 HydrophobicContact CD2-CG2 3.99Å; V740-V765 HydrophobicContact CG1-CG1 4.19Å; L743-V765 HydrophobicContact CD2-CG2 3.75Å; L743-V765 HydrophobicContact CG-CG2 4.23Å; E744-V765 HydrophobicContact CB-CG1 3.7Å; E744-V765 HydrophobicContact CG-CG1 4.04Å; L747-V765 HydrophobicContact CD1-CB 4.39Å; L747-V765 HydrophobicContact CD1-CG2 3.97Å; I761-V765 HydrophobicContact CG2-CG2 4.04Å; I761-V765 PolarHBondContact O-N 2.88Å; W762-V765 PolarHBondContact O-N 3.02Å; V765-V767 PolarHBondContact O-N 3.27Å; V765-V767 VanDerWaalsContact O-N 3.15Å; V765-L768 WeakPolarHBondContact O-CB 3.42Å; V765-L768 PolarHBondContact O-N 2.77Å; V765-C769 PolarHBondContact O-N 3.33Å; V765-C769 PolarHBondContact O-SG 2.91Å |
| 766 | K | 96.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.1 | -33 | -179 | 83.6 | 178.5 | -164.4 | -177 | 0 | 112.8 | W762 R764 L768 C769 G770 I771 A773 | W762-K766 HydrophobicContact CD2-CB 4.1Å; W762-K766 HydrophobicContact CE3-CB 4.25Å; W762-K766 HydrophobicContact CE3-CD 3.9Å; W762-K766 HydrophobicContact CH2-CB 3.95Å; W762-K766 HydrophobicContact CH2-CD 3.59Å; W762-K766 HydrophobicContact CH2-CG 4.41Å; W762-K766 HydrophobicContact CZ2-CB 3.77Å; W762-K766 HydrophobicContact CZ2-CD 4.3Å; W762-K766 HydrophobicContact CZ3-CB 4.2Å; W762-K766 HydrophobicContact CZ3-CD 3.36Å; W762-K766 HydrophobicContact CZ3-CG 4.36Å; W762-K766 WeakPolarHBondContact O-CB 3.19Å; W762-K766 PolarHBondContact O-N 2.8Å; R764-K766 VanDerWaalsContact C-N 3.33Å; R764-K766 PolarHBondContact O-N 2.9Å; K766-L768 VanDerWaalsContact C-N 3.35Å; K766-L768 PolarHBondContact O-N 2.85Å; K766-C769 PolarHBondContact O-N 2.92Å; K766-G770 PolarHBondContact O-N 2.87Å; K766-G770 VanDerWaalsContact O-N 3.15Å; K766-I771 HydrophobicContact CB-CB 4.07Å; K766-I771 HydrophobicContact CB-CG2 4.49Å; K766-I771 PolarHBondContact O-N 3.23Å; K766-A773 WeakPolarHBondContact CE-O 3.36Å; K766-A773 PolarHBondContact NZ-O 2.75Å |
| 767 | V | 95.5 | Very high | 96.6 | Very high | 106 Ų | 106 | 35.5 Ų | 35.5 | 64% | 0.642 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.4 | -41 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | R764 V765 C769 G770 | R764-V767 PolarHBondContact O-N 2.91Å; V765-V767 PolarHBondContact O-N 3.27Å; V765-V767 VanDerWaalsContact O-N 3.15Å; V767-C769 VanDerWaalsContact C-N 3.28Å; V767-C769 PolarHBondContact O-N 2.84Å; V767-G770 PolarHBondContact O-N 3.42Å |
| 768 | L | 94.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -32.3 | 177.8 | -59.1 | 174.6 | 0 | 0 | 0 | 111.9 | L653 T656 E657 F663 V740 V765 K766 G770 | L653-L768 HydrophobicContact CD2-CD1 3.69Å; T656-L768 VanDerWaalsContact OG1-CD1 3.3Å; T656-L768 WeakPolarHBondContact OG1-CD1 3.39Å; E657-L768 HydrophobicContact CG-CD2 4.41Å; F663-L768 WeakPolarHBondContact CD2-O 3.45Å; V740-L768 HydrophobicContact CG1-CB 4.02Å; V740-L768 HydrophobicContact CG2-CB 4.49Å; V740-L768 HydrophobicContact CG2-CD1 3.99Å; V765-L768 WeakPolarHBondContact O-CB 3.42Å; V765-L768 PolarHBondContact O-N 2.77Å; K766-L768 VanDerWaalsContact C-N 3.35Å; K766-L768 PolarHBondContact O-N 2.85Å; L768-G770 VanDerWaalsContact C-N 3.32Å |
| 769 | C | 93.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4.9 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | V740 V765 K766 V767 I771 | V740-C769 WeakPolarHBondContact CG1-SG 3.23Å; V765-C769 PolarHBondContact O-N 3.33Å; V765-C769 PolarHBondContact O-SG 2.91Å; K766-C769 PolarHBondContact O-N 2.92Å; V767-C769 VanDerWaalsContact C-N 3.28Å; V767-C769 PolarHBondContact O-N 2.84Å; C769-I771 VanDerWaalsContact C-N 3.26Å; C769-I771 HydrophobicContact CB-CD1 3.74Å; C769-I771 HydrophobicContact CB-CG1 3.83Å; C769-I771 PolarHBondContact O-N 3.09Å |
| 770 | G | 92.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 61% | 0.608 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 20.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K766 V767 L768 | K766-G770 PolarHBondContact O-N 2.87Å; K766-G770 VanDerWaalsContact O-N 3.15Å; V767-G770 PolarHBondContact O-N 3.42Å; L768-G770 VanDerWaalsContact C-N 3.32Å |
| 771 | I | 95.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 44 Ų | 44 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | trans | -83.8 | 121.1 | 179.8 | -60.8 | 166.6 | 0 | 0 | 0 | 109.4 | E744 W762 K766 C769 A773 | E744-I771 HydrophobicContact CG-CD1 4.36Å; W762-I771 HydrophobicContact CH2-CG2 4.08Å; W762-I771 HydrophobicContact CZ2-CD1 4.44Å; W762-I771 HydrophobicContact CZ2-CG2 3.84Å; K766-I771 HydrophobicContact CB-CB 4.07Å; K766-I771 HydrophobicContact CB-CG2 4.49Å; K766-I771 PolarHBondContact O-N 3.23Å; C769-I771 VanDerWaalsContact C-N 3.26Å; C769-I771 HydrophobicContact CB-CD1 3.74Å; C769-I771 HydrophobicContact CB-CG1 3.83Å; C769-I771 PolarHBondContact O-N 3.09Å; I771-A773 HydrophobicContact CG2-CB 4Å | ||
| 772 | T | 95.6 | Very high | 96.3 | Very high | 130 Ų | 130 | 44.2 Ų | 44.2 | 80% | 0.798 | 26% | 0.258 | S | S | * | . | trans | -94.2 | -4 | -178.4 | 60 | 0 | 0 | 0 | 0 | 114 | ||||
| 773 | A | 95.5 | Very high | 96.3 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 26% | 0.256 | 29% | 0.289 | S | S | . | . | trans | -66.9 | 148.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W762 K766 I771 | W762-A773 HydrophobicContact CH2-CB 4.4Å; K766-A773 WeakPolarHBondContact CE-O 3.36Å; K766-A773 PolarHBondContact NZ-O 2.75Å; I771-A773 HydrophobicContact CG2-CB 4Å | ||
| 774 | D | 95.7 | Very high | 96.3 | Very high | 105 Ų | 105 | 52 Ų | 52 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -78 | -29.2 | -169.1 | -68.2 | -31.6 | 0 | 0 | 0 | 114.2 | Y23 Q763 | Y23-D774 WeakPolarHBondContact OH-CB 3.29Å; Q763-D774 PolarHBondContact NE2-O 3.21Å |
| 775 | T | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | trans | -143.6 | 145.6 | -174.8 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | Y23 E759 W762 M777 L778 | Y23-T775 HydrophobicContact CD1-CG2 4.13Å; Y23-T775 HydrophobicContact CD2-CG2 3.87Å; Y23-T775 HydrophobicContact CE1-CG2 4.18Å; Y23-T775 HydrophobicContact CE2-CG2 3.92Å; Y23-T775 HydrophobicContact CG-CG2 3.99Å; E759-T775 VanDerWaalsContact OE1-CB 3.3Å; E759-T775 WeakPolarHBondContact OE1-CB 3.48Å; E759-T775 PolarHBondContact OE1-OG1 3.07Å; W762-T775 VanDerWaalsContact CZ3-C 3.43Å; T775-M777 HydrophobicContact CG2-CG 3.81Å; T775-M777 PolarHBondContact O-N 3.2Å; T775-M777 WeakPolarHBondContact OG1-CE 3.35Å; T775-M777 PolarHBondContact OG1-N 3.33Å; T775-L778 HydrophobicContact CG2-CB 4.11Å; T775-L778 HydrophobicContact CG2-CD1 3.77Å; T775-L778 HydrophobicContact CG2-CG 3.67Å | ||
| 776 | I | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -62.7 | -31.5 | 176.7 | -162.9 | 178.2 | 0 | 0 | 0 | 112 | L747 R748 H751 E759 W762 L778 Q779 | L747-I776 HydrophobicContact CB-CD1 3.94Å; R748-I776 HydrophobicContact CG-CD1 4Å; R748-I776 HydrophobicContact CG-CG1 3.7Å; H751-I776 HydrophobicContact CB-CD1 4.15Å; H751-I776 HydrophobicContact CB-CG2 4.38Å; H751-I776 WeakPolarHBondContact CE1-CG2 3.36Å; H751-I776 WeakPolarHBondContact ND1-CG2 3.47Å; E759-I776 HydrophobicContact CB-CG2 3.91Å; E759-I776 HydrophobicContact CG-CG2 4.47Å; E759-I776 WeakPolarHBondContact OE2-CB 3.34Å; E759-I776 WeakPolarHBondContact OE2-CG2 3.48Å; E759-I776 PolarHBondContact OE2-N 2.79Å; W762-I776 HydrophobicContact CB-CB 4.22Å; W762-I776 HydrophobicContact CB-CD1 3.63Å; W762-I776 HydrophobicContact CB-CG1 4.17Å; W762-I776 HydrophobicContact CD2-CB 3.62Å; W762-I776 HydrophobicContact CD2-CD1 4.26Å; W762-I776 HydrophobicContact CD2-CG1 3.8Å; W762-I776 HydrophobicContact CE3-CB 3.73Å; W762-I776 HydrophobicContact CE3-CG1 4.43Å; W762-I776 HydrophobicContact CG-CB 3.83Å; W762-I776 HydrophobicContact CG-CD1 3.55Å; W762-I776 HydrophobicContact CG-CG1 3.64Å; W762-I776 HydrophobicContact CZ3-CB 4.36Å; W762-I776 VanDerWaalsContact CZ3-N 3.34Å; I776-L778 PolarHBondContact O-N 3.29Å; I776-L778 VanDerWaalsContact O-N 3.13Å; I776-Q779 WeakPolarHBondContact O-CB 3.17Å; I776-Q779 PolarHBondContact O-N 3.28Å |
| 777 | M | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -71.7 | -11.5 | -170.7 | 79.8 | -179.8 | 74.5 | 0 | 0 | 114.1 | W18 Y23 F24 M68 H751 T775 | W18-M777 HydrophobicContact CB-CE 4.29Å; W18-M777 HydrophobicContact CD2-CE 3.6Å; W18-M777 HydrophobicContact CE3-CE 4.45Å; W18-M777 HydrophobicContact CG-CE 3.53Å; W18-M777 HydrophobicContact CZ2-CE 4.06Å; Y23-M777 HydrophobicContact CD2-CE 4.39Å; F24-M777 HydrophobicContact CD1-SD 3.91Å; F24-M777 HydrophobicContact CE1-CE 3.91Å; F24-M777 HydrophobicContact CE1-SD 3.74Å; M68-M777 VanDerWaalsContact CG-O 3.3Å; M68-M777 WeakPolarHBondContact CG-O 3.33Å; H751-M777 VanDerWaalsContact NE2-CB 3.28Å; H751-M777 WeakPolarHBondContact NE2-CB 3.31Å; T775-M777 HydrophobicContact CG2-CG 3.81Å; T775-M777 PolarHBondContact O-N 3.2Å; T775-M777 WeakPolarHBondContact OG1-CE 3.35Å; T775-M777 PolarHBondContact OG1-N 3.33Å |
| 778 | L | 95.7 | Very high | 96.2 | Very high | 91 Ų | 91 | 56.3 Ų | 56.3 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -106.9 | 2.9 | 175.2 | -59.3 | -179.3 | 0 | 0 | 0 | 112.1 | Y23 R67 T775 I776 | Y23-L778 HydrophobicContact CD1-CD1 4.03Å; Y23-L778 HydrophobicContact CE1-CD1 4.49Å; R67-L778 HydrophobicContact CG-CD2 4.18Å; T775-L778 HydrophobicContact CG2-CB 4.11Å; T775-L778 HydrophobicContact CG2-CD1 3.77Å; T775-L778 HydrophobicContact CG2-CG 3.67Å; I776-L778 PolarHBondContact O-N 3.29Å; I776-L778 VanDerWaalsContact O-N 3.13Å |
| 779 | Q | 97.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -79.8 | 147.2 | 174.3 | -63.5 | -50.7 | -76.6 | 0 | 0 | 111.2 | M68 R748 W762 I776 F781 | M68-Q779 WeakPolarHBondContact CB-O 3.45Å; R748-Q779 HydrophobicContact CG-CB 4.41Å; W762-Q779 HydrophobicContact CH2-CG 3.91Å; W762-Q779 HydrophobicContact CZ2-CG 3.47Å; W762-Q779 VanDerWaalsContact CZ2-CG 3.47Å; I776-Q779 WeakPolarHBondContact O-CB 3.17Å; I776-Q779 PolarHBondContact O-N 3.28Å; Q779-F781 PolarHBondContact O-N 3.22Å |
| 780 | P | 97.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 132.4 | 174.5 | -26.4 | 34.9 | 0 | 0 | 0 | 111.8 | M68 R748 | M68-P780 CarbonylContact O-C 3.53Å; M68-P780 WeakPolarHBondContact O-CA 3.32Å; R748-P780 PolarHBondContact NH1-O 2.82Å |
| 781 | F | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 140.2 | 174.4 | -156.6 | -100 | 0 | 0 | 0 | 110.4 | Y65 M68 Q69 Y688 R689 R748 L749 P752 Q779 Q783 | Y65-F781 AromaticContact CD2-CD1 3.93Å; Y65-F781 HydrophobicContact CD2-CD1 3.93Å; Y65-F781 HydrophobicContact CD2-CD2 4.01Å; Y65-F781 AromaticContact CD2-CE1 3.94Å; Y65-F781 HydrophobicContact CD2-CE1 3.94Å; Y65-F781 HydrophobicContact CD2-CE2 4.05Å; Y65-F781 AromaticContact CD2-CG 3.96Å; Y65-F781 HydrophobicContact CD2-CG 3.96Å; Y65-F781 HydrophobicContact CD2-CZ 4.01Å; Y65-F781 AromaticContact CE2-CD1 3.64Å; Y65-F781 HydrophobicContact CE2-CD1 3.64Å; Y65-F781 AromaticContact CE2-CE1 3.76Å; Y65-F781 HydrophobicContact CE2-CE1 3.76Å; Y65-F781 HydrophobicContact CE2-CG 4.06Å; Y65-F781 HydrophobicContact CE2-CZ 4.3Å; M68-F781 HydrophobicContact CB-CB 3.92Å; M68-F781 HydrophobicContact CB-CD2 3.94Å; M68-F781 HydrophobicContact CB-CG 4.42Å; M68-F781 HydrophobicContact CE-CD2 3.85Å; M68-F781 HydrophobicContact CE-CE2 4.45Å; M68-F781 PolarHBondContact O-N 3.15Å; M68-F781 HydrophobicContact SD-CD2 3.87Å; M68-F781 HydrophobicContact SD-CE2 4.33Å; Q69-F781 HydrophobicContact CG-CB 4.36Å; Y688-F781 HydrophobicContact CD1-CE1 4.23Å; Y688-F781 HydrophobicContact CD1-CZ 4Å; Y688-F781 HydrophobicContact CE1-CE1 4.41Å; Y688-F781 AromaticContact CE1-CZ 3.75Å; Y688-F781 HydrophobicContact CE1-CZ 3.75Å; R689-F781 HydrophobicContact CG-CD1 4.32Å; R689-F781 HydrophobicContact CG-CE1 4.06Å; R748-F781 WeakPolarHBondContact O-CE2 3.39Å; L749-F781 HydrophobicContact CD1-CE1 3.66Å; L749-F781 HydrophobicContact CD1-CZ 3.68Å; L749-F781 HydrophobicContact CG-CZ 4.38Å; P752-F781 HydrophobicContact CG-CD2 4.46Å; P752-F781 HydrophobicContact CG-CE2 3.67Å; P752-F781 HydrophobicContact CG-CZ 4.44Å; Q779-F781 PolarHBondContact O-N 3.22Å; F781-Q783 PolarHBondContact O-N 3.04Å |
| 782 | P | 98 | Very high | 96.7 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.032 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 140.3 | 177.4 | -25.8 | 32.7 | 0 | 0 | 0 | 112.6 | I685 R689 G745 R748 L749 | I685-P782 HydrophobicContact CD1-CB 3.65Å; I685-P782 HydrophobicContact CG1-CB 3.78Å; I685-P782 HydrophobicContact CG2-CB 4.08Å; I685-P782 WeakPolarHBondContact CG2-O 3.37Å; R689-P782 PolarHBondContact NH1-O 3.31Å; G745-P782 WeakPolarHBondContact O-CG 3.33Å; R748-P782 HydrophobicContact CB-CG 4.04Å; L749-P782 HydrophobicContact CB-CG 4.28Å; L749-P782 HydrophobicContact CD1-CB 4.36Å; L749-P782 HydrophobicContact CD1-CG 4.23Å |
| 783 | Q | 97.1 | Very high | 96.7 | Very high | 138 Ų | 138 | 56.4 Ų | 56.4 | 65% | 0.645 | 32% | 0.318 | S | S | * | . | trans | -120.4 | 146.4 | 180 | -66.6 | -172.7 | -1.6 | 0 | 0 | 110.5 | F781 | F781-Q783 PolarHBondContact O-N 3.04Š| ||
| 784 | Y | 97.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | trans | -66.6 | 133.5 | 172.9 | 172.3 | -100.7 | 0 | 0 | 0 | 109.9 | N682 K686 A786 V789 | N682-Y784 VanDerWaalsContact ND2-CE2 3.33Å; N682-Y784 WeakPolarHBondContact ND2-CE2 3.49Å; N682-Y784 WeakPolarHBondContact OD1-CA 3.44Å; N682-Y784 VanDerWaalsContact OD1-CD2 3.3Å; N682-Y784 WeakPolarHBondContact OD1-CD2 3.32Å; K686-Y784 HydrophobicContact CB-CD2 3.86Å; K686-Y784 HydrophobicContact CB-CG 4.22Å; K686-Y784 HydrophobicContact CD-CD2 4.12Å; K686-Y784 HydrophobicContact CD-CE2 4.23Å; K686-Y784 HydrophobicContact CD-CG 4.37Å; K686-Y784 HydrophobicContact CG-CD2 4.42Å; Y784-A786 HydrophobicContact CE1-CB 4.11Å; Y784-V789 HydrophobicContact CE2-CG2 4.37Å; Y784-V789 WeakPolarHBondContact OH-CG2 3.41Å | ||
| 785 | D | 97.5 | Very high | 96.8 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | trans | -122.8 | 111.5 | 179.1 | -178.5 | -6.3 | 0 | 0 | 0 | 109.6 | N682 S787 Q788 | N682-D785 PolarHBondContact ND2-O 2.85Å; N682-D785 PolarHBondContact OD1-N 3.42Å; D785-S787 PolarHBondContact O-N 3.48Å; D785-S787 VanDerWaalsContact O-N 3.13Å; D785-S787 VanDerWaalsContact OD1-CB 3.32Å; D785-S787 WeakPolarHBondContact OD1-CB 3.35Å; D785-S787 PolarHBondContact OD1-N 3.19Å; D785-S787 PolarHBondContact OD1-OG 3.04Å; D785-S787 PolarHBondContact OD2-OG 3.35Å; D785-S787 VanDerWaalsContact OD2-OG 3.06Å; D785-Q788 HydrophobicContact CB-CB 4.44Å; D785-Q788 HydrophobicContact CB-CG 4.04Å; D785-Q788 PolarHBondContact O-N 3.34Å; D785-Q788 PolarHBondContact OD2-NE2 2.54Å; D785-Q788 VanDerWaalsContact OD2-NE2 3.1Å | ||
| 786 | A | 96.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 54 Ų | 54 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -60.6 | -23.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y784 Q788 V789 | Y784-A786 HydrophobicContact CE1-CB 4.11Å; A786-Q788 VanDerWaalsContact C-N 3.27Å; A786-Q788 PolarHBondContact O-N 3.37Å; A786-V789 WeakPolarHBondContact O-CG2 3.42Å; A786-V789 PolarHBondContact O-N 3.46Å |
| 787 | S | 96 | Very high | 96.6 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 69% | 0.685 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -74.6 | -15.9 | 177.7 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | D785 | D785-S787 PolarHBondContact O-N 3.48Å; D785-S787 VanDerWaalsContact O-N 3.13Å; D785-S787 VanDerWaalsContact OD1-CB 3.32Å; D785-S787 WeakPolarHBondContact OD1-CB 3.35Å; D785-S787 PolarHBondContact OD1-N 3.19Å; D785-S787 PolarHBondContact OD1-OG 3.04Å; D785-S787 PolarHBondContact OD2-OG 3.35Å; D785-S787 VanDerWaalsContact OD2-OG 3.06Å |
| 788 | Q | 94.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 58.3 Ų | 58.3 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -92.3 | 8 | 177.7 | -63.7 | -177.7 | 34 | 0 | 0 | 113.3 | A679 N682 D785 A786 D790 | A679-Q788 WeakPolarHBondContact CA-O 3.49Å; N682-Q788 HydrophobicContact CB-CB 4.19Å; D785-Q788 HydrophobicContact CB-CB 4.44Å; D785-Q788 HydrophobicContact CB-CG 4.04Å; D785-Q788 PolarHBondContact O-N 3.34Å; D785-Q788 PolarHBondContact OD2-NE2 2.54Å; D785-Q788 VanDerWaalsContact OD2-NE2 3.1Å; A786-Q788 VanDerWaalsContact C-N 3.27Å; A786-Q788 PolarHBondContact O-N 3.37Å; Q788-D790 PolarHBondContact O-N 2.96Å |
| 789 | V | 95.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | trans | -74.6 | 120.8 | 173.4 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | Y784 A786 E791 | Y784-V789 HydrophobicContact CE2-CG2 4.37Å; Y784-V789 WeakPolarHBondContact OH-CG2 3.41Å; A786-V789 WeakPolarHBondContact O-CG2 3.42Å; A786-V789 PolarHBondContact O-N 3.46Å; V789-E791 HydrophobicContact CG1-CG 4.19Å | ||
| 790 | D | 97.5 | Very high | 96.4 | Very high | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | trans | -133.2 | 83.3 | 174.8 | -171.7 | -16.5 | 0 | 0 | 0 | 109.6 | R675 A679 Q788 A792 A793 L794 | R675-D790 IonicContact CZ-OD2 2.84Å; R675-D790 VanDerWaalsContact CZ-OD2 3.27Å; R675-D790 IonicContact NE-OD2 2.89Å; R675-D790 PolarHBondContact NE-OD2 2.98Å; R675-D790 IonicContact NH2-OD1 2.84Å; R675-D790 PolarHBondContact NH2-OD1 3.27Å; R675-D790 IonicContact NH2-OD2 2.82Å; R675-D790 PolarHBondContact NH2-OD2 2.88Å; A679-D790 HydrophobicContact CB-CB 4.13Å; Q788-D790 PolarHBondContact O-N 2.96Å; D790-A792 PolarHBondContact O-N 2.81Å; D790-A792 PolarHBondContact OD1-N 2.93Å; D790-A793 HydrophobicContact CB-CB 3.99Å; D790-A793 PolarHBondContact O-N 2.88Å; D790-A793 WeakPolarHBondContact OD1-CB 3.25Å; D790-A793 PolarHBondContact OD1-N 3.26Å; D790-A793 WeakPolarHBondContact OD2-CB 3.49Å; D790-L794 WeakPolarHBondContact O-CG 3.49Å; D790-L794 PolarHBondContact O-N 3.38Å; D790-L794 VanDerWaalsContact O-N 3.11Å | ||
| 791 | E | 96.4 | Very high | 96.2 | Very high | 151 Ų | 151 | 49.4 Ų | 49.4 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.8 | -30.5 | 179.7 | -69.6 | -151.4 | -174.7 | 0 | 0 | 112.8 | V789 L794 A795 | V789-E791 HydrophobicContact CG1-CG 4.19Å; E791-L794 PolarHBondContact O-N 3.24Å; E791-A795 WeakPolarHBondContact O-CB 3.26Å; E791-A795 PolarHBondContact O-N 3.08Å |
| 792 | A | 95.6 | Very high | 96 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D790 L794 A795 D796 | D790-A792 PolarHBondContact O-N 2.81Å; D790-A792 PolarHBondContact OD1-N 2.93Å; A792-L794 VanDerWaalsContact C-N 3.35Å; A792-L794 PolarHBondContact O-N 2.58Å; A792-A795 PolarHBondContact O-N 3.31Å; A792-D796 WeakPolarHBondContact O-CB 3.39Å; A792-D796 PolarHBondContact O-N 2.98Å |
| 793 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L672 R675 W676 D790 T797 | L672-A793 HydrophobicContact CD1-CB 3.93Å; R675-A793 HydrophobicContact CB-CB 3.86Å; W676-A793 HydrophobicContact CB-CB 4.22Å; D790-A793 HydrophobicContact CB-CB 3.99Å; D790-A793 PolarHBondContact O-N 2.88Å; D790-A793 WeakPolarHBondContact OD1-CB 3.25Å; D790-A793 PolarHBondContact OD1-N 3.26Å; D790-A793 WeakPolarHBondContact OD2-CB 3.49Å; A793-T797 VanDerWaalsContact O-CB 3.24Å; A793-T797 WeakPolarHBondContact O-CB 3.37Å; A793-T797 PolarHBondContact O-N 3.34Å; A793-T797 PolarHBondContact O-OG1 2.81Å |
| 794 | L | 96.7 | Very high | 95.7 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.199 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -52.8 | 174.7 | -69.2 | 165.8 | 0 | 0 | 0 | 111.3 | A679 E680 D790 E791 A792 E798 | A679-L794 HydrophobicContact CB-CD1 4.2Å; A679-L794 HydrophobicContact CB-CD2 4.21Å; A679-L794 HydrophobicContact CB-CG 4.05Å; E680-L794 HydrophobicContact CB-CD2 4.31Å; E680-L794 WeakPolarHBondContact OE2-CD2 3.44Å; D790-L794 WeakPolarHBondContact O-CG 3.49Å; D790-L794 PolarHBondContact O-N 3.38Å; D790-L794 VanDerWaalsContact O-N 3.11Å; E791-L794 PolarHBondContact O-N 3.24Å; A792-L794 VanDerWaalsContact C-N 3.35Å; A792-L794 PolarHBondContact O-N 2.58Å; L794-E798 WeakPolarHBondContact O-CB 3.35Å; L794-E798 PolarHBondContact O-N 2.91Å |
| 795 | A | 95.6 | Very high | 95.5 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 37% | 0.372 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E791 A792 W799 | E791-A795 WeakPolarHBondContact O-CB 3.26Å; E791-A795 PolarHBondContact O-N 3.08Å; A792-A795 PolarHBondContact O-N 3.31Å; A795-W799 WeakPolarHBondContact O-CB 3.42Å; A795-W799 PolarHBondContact O-N 2.86Å |
| 796 | D | 96.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | -179.3 | -71.3 | -7.5 | 0 | 0 | 0 | 111.4 | L672 A792 W799 L800 R835 R836 | L672-D796 HydrophobicContact CD1-CB 3.97Å; L672-D796 HydrophobicContact CD2-CB 3.92Å; A792-D796 WeakPolarHBondContact O-CB 3.39Å; A792-D796 PolarHBondContact O-N 2.98Å; D796-W799 PolarHBondContact O-N 2.9Å; D796-L800 WeakPolarHBondContact O-CG 3.47Å; D796-L800 PolarHBondContact O-N 2.87Å; D796-R835 IonicContact OD1-CZ 2.76Å; D796-R835 IonicContact OD1-NH2 3.77Å; D796-R835 PolarHBondContact OD1-NH2 2.92Å; D796-R835 IonicContact OD2-CZ 3.21Å; D796-R835 VanDerWaalsContact OD2-CZ 3.24Å; D796-R835 IonicContact OD2-NH1 3.82Å; D796-R835 PolarHBondContact OD2-NH1 3.45Å; D796-R835 IonicContact OD2-NH2 3.14Å; D796-R835 PolarHBondContact OD2-NH2 3.14Å; D796-R836 HydrophobicContact CB-CG 4.13Å; D796-R836 WeakPolarHBondContact OD1-CG 3.38Å; D796-R836 IonicContact OD1-CZ 3.9Å; D796-R836 IonicContact OD1-NE 2.76Å; D796-R836 PolarHBondContact OD1-NE 3.4Å; D796-R836 IonicContact OD1-NH2 3.86Å |
| 797 | T | 95.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.9 | -38.3 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | W676 L719 A793 W799 L800 K801 | W676-T797 HydrophobicContact CB-CG2 4.22Å; W676-T797 VanDerWaalsContact CB-OG1 3.23Å; W676-T797 WeakPolarHBondContact CB-OG1 3.47Å; W676-T797 HydrophobicContact CD2-CG2 3.5Å; W676-T797 HydrophobicContact CE3-CG2 3.83Å; W676-T797 HydrophobicContact CG-CG2 3.61Å; L719-T797 HydrophobicContact CD1-CG2 4.44Å; A793-T797 VanDerWaalsContact O-CB 3.24Å; A793-T797 WeakPolarHBondContact O-CB 3.37Å; A793-T797 PolarHBondContact O-N 3.34Å; A793-T797 PolarHBondContact O-OG1 2.81Å; T797-W799 VanDerWaalsContact C-N 3.32Å; T797-W799 PolarHBondContact O-N 2.91Å; T797-L800 PolarHBondContact O-N 3.02Å; T797-K801 WeakPolarHBondContact O-CG 3.29Å; T797-K801 PolarHBondContact O-N 2.92Å |
| 798 | E | 95 | Very high | 94.9 | Very high | 88 Ų | 88 | 39.6 Ų | 39.6 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.7 | -179 | 51.3 | -148.7 | 0 | 0 | 111.4 | L794 L800 K801 Q802 | L794-E798 WeakPolarHBondContact O-CB 3.35Å; L794-E798 PolarHBondContact O-N 2.91Å; E798-L800 PolarHBondContact O-N 2.82Å; E798-K801 WeakPolarHBondContact O-CB 3.28Å; E798-K801 PolarHBondContact O-N 3.3Å; E798-Q802 WeakPolarHBondContact O-CG 3.39Å; E798-Q802 PolarHBondContact O-N 2.77Å; E798-Q802 PolarHBondContact OE1-NE2 3.02Å |
| 799 | W | 95.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 173.4 | -170.5 | 94.6 | 0 | 0 | 0 | 112.2 | A795 D796 T797 K801 Q802 A803 A833 R836 V837 I870 D871 A873 | A795-W799 WeakPolarHBondContact O-CB 3.42Å; A795-W799 PolarHBondContact O-N 2.86Å; D796-W799 PolarHBondContact O-N 2.9Å; T797-W799 VanDerWaalsContact C-N 3.32Å; T797-W799 PolarHBondContact O-N 2.91Å; W799-K801 PolarHBondContact O-N 3.18Å; W799-Q802 PolarHBondContact O-N 3.3Å; W799-A803 HydrophobicContact CE3-CB 4.34Å; W799-A803 HydrophobicContact CH2-CB 4.35Å; W799-A803 HydrophobicContact CZ3-CB 3.98Å; W799-A803 PolarHBondContact O-N 3.01Å; W799-A833 HydrophobicContact CZ2-CB 3.77Å; W799-R836 HydrophobicContact CE3-CB 4.11Å; W799-R836 HydrophobicContact CZ3-CB 4.46Å; W799-V837 HydrophobicContact CH2-CG2 3.33Å; W799-V837 HydrophobicContact CZ2-CG2 4.42Å; W799-V837 HydrophobicContact CZ3-CG2 3.53Å; W799-I870 HydrophobicContact CD2-CD1 4.18Å; W799-I870 VanDerWaalsContact CE2-CD1 3.48Å; W799-I870 HydrophobicContact CH2-CD1 3.81Å; W799-I870 HydrophobicContact CZ2-CD1 3.29Å; W799-I870 HydrophobicContact CZ2-CG1 4.25Å; W799-I870 HydrophobicContact CZ3-CD1 4.45Å; W799-D871 PolarHBondContact NE1-O 3.4Å; W799-A873 HydrophobicContact CZ2-CB 3.95Å |
| 800 | L | 94.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 176.6 | -67.1 | 176.4 | 0 | 0 | 0 | 111.9 | L672 D796 T797 E798 A803 I804 N840 L844 | L672-L800 HydrophobicContact CD2-CD1 3.51Å; D796-L800 WeakPolarHBondContact O-CG 3.47Å; D796-L800 PolarHBondContact O-N 2.87Å; T797-L800 PolarHBondContact O-N 3.02Å; E798-L800 PolarHBondContact O-N 2.82Å; L800-A803 PolarHBondContact O-N 2.86Å; L800-I804 WeakPolarHBondContact O-CB 3.17Å; L800-I804 WeakPolarHBondContact O-CD1 3.47Å; L800-I804 VanDerWaalsContact O-CG1 3.23Å; L800-I804 WeakPolarHBondContact O-CG1 3.38Å; L800-I804 PolarHBondContact O-N 2.68Å; L800-N840 HydrophobicContact CD1-CB 3.76Å; L800-N840 HydrophobicContact CD2-CB 4.06Å; L800-L844 HydrophobicContact CD2-CD1 3.78Å; L800-L844 HydrophobicContact CD2-CD2 3.65Å; L800-L844 HydrophobicContact CD2-CG 3.71Å |
| 801 | K | 94.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 174.6 | -73 | 177.6 | -177.6 | 169.3 | 0 | 110.8 | W715 T797 E798 W799 A803 I804 V805 | W715-K801 HydrophobicContact CD2-CD 3.98Å; W715-K801 HydrophobicContact CD2-CG 3.82Å; W715-K801 HydrophobicContact CE3-CG 3.87Å; W715-K801 HydrophobicContact CG-CD 4.17Å; W715-K801 HydrophobicContact CG-CG 4.47Å; W715-K801 HydrophobicContact CH2-CB 3.96Å; W715-K801 HydrophobicContact CH2-CG 3.89Å; W715-K801 HydrophobicContact CZ2-CB 3.96Å; W715-K801 HydrophobicContact CZ2-CD 4.27Å; W715-K801 HydrophobicContact CZ2-CG 3.85Å; W715-K801 HydrophobicContact CZ3-CB 4.4Å; W715-K801 HydrophobicContact CZ3-CG 3.9Å; T797-K801 WeakPolarHBondContact O-CG 3.29Å; T797-K801 PolarHBondContact O-N 2.92Å; E798-K801 WeakPolarHBondContact O-CB 3.28Å; E798-K801 PolarHBondContact O-N 3.3Å; W799-K801 PolarHBondContact O-N 3.18Å; K801-A803 VanDerWaalsContact C-N 3.34Å; K801-A803 PolarHBondContact O-N 2.84Å; K801-I804 PolarHBondContact O-N 3.14Å; K801-V805 WeakPolarHBondContact O-CB 3.48Å; K801-V805 VanDerWaalsContact O-CG2 3.29Å; K801-V805 WeakPolarHBondContact O-CG2 3.38Å; K801-V805 PolarHBondContact O-N 2.95Å |
| 802 | Q | 94.4 | Very high | 93.6 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 177 | -70.7 | 175.9 | 13.1 | 0 | 0 | 111.8 | E798 W799 V805 A806 I870 | E798-Q802 WeakPolarHBondContact O-CG 3.39Å; E798-Q802 PolarHBondContact O-N 2.77Å; E798-Q802 PolarHBondContact OE1-NE2 3.02Å; W799-Q802 PolarHBondContact O-N 3.3Å; Q802-V805 PolarHBondContact O-N 3.46Å; Q802-A806 VanDerWaalsContact O-CB 3.23Å; Q802-A806 WeakPolarHBondContact O-CB 3.29Å; Q802-A806 PolarHBondContact O-N 2.72Å; Q802-I870 HydrophobicContact CB-CG2 4.39Å |
| 803 | A | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | W799 L800 K801 A806 V807 L844 I870 L875 | W799-A803 HydrophobicContact CE3-CB 4.34Å; W799-A803 HydrophobicContact CH2-CB 4.35Å; W799-A803 HydrophobicContact CZ3-CB 3.98Å; W799-A803 PolarHBondContact O-N 3.01Å; L800-A803 PolarHBondContact O-N 2.86Å; K801-A803 VanDerWaalsContact C-N 3.34Å; K801-A803 PolarHBondContact O-N 2.84Å; A803-A806 PolarHBondContact O-N 2.74Å; A803-V807 WeakPolarHBondContact O-CG2 3.14Å; A803-V807 PolarHBondContact O-N 3.26Å; A803-L844 HydrophobicContact CB-CD2 4.25Å; A803-I870 HydrophobicContact CB-CD1 3.87Å; A803-L875 HydrophobicContact CB-CD1 4.35Å; A803-L875 HydrophobicContact CB-CD2 4.41Å |
| 804 | I | 93.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -45.3 | 178.5 | -68.2 | 162.4 | 0 | 0 | 0 | 111 | W715 L800 K801 V807 R808 L844 L847 A848 | W715-I804 HydrophobicContact CH2-CB 4.3Å; W715-I804 HydrophobicContact CH2-CG2 4.11Å; W715-I804 HydrophobicContact CZ3-CB 4.42Å; W715-I804 HydrophobicContact CZ3-CD1 4.1Å; W715-I804 HydrophobicContact CZ3-CG2 4.18Å; L800-I804 WeakPolarHBondContact O-CB 3.17Å; L800-I804 WeakPolarHBondContact O-CD1 3.47Å; L800-I804 VanDerWaalsContact O-CG1 3.23Å; L800-I804 WeakPolarHBondContact O-CG1 3.38Å; L800-I804 PolarHBondContact O-N 2.68Å; K801-I804 PolarHBondContact O-N 3.14Å; I804-V807 PolarHBondContact O-N 2.86Å; I804-R808 HydrophobicContact CG2-CG 4.47Å; I804-R808 WeakPolarHBondContact O-CB 3.48Å; I804-R808 VanDerWaalsContact O-CG 3.29Å; I804-R808 WeakPolarHBondContact O-CG 3.4Å; I804-R808 PolarHBondContact O-N 2.83Å; I804-L844 HydrophobicContact CD1-CD2 4.41Å; I804-L844 HydrophobicContact CG1-CD2 3.98Å; I804-L847 HydrophobicContact CD1-CB 3.82Å; I804-L847 HydrophobicContact CD1-CD1 3.84Å; I804-L847 HydrophobicContact CG1-CB 4.35Å; I804-A848 HydrophobicContact CG1-CB 4.35Å |
| 805 | V | 93.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 35% | 0.345 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | W715 K801 Q802 V807 R808 N809 | W715-V805 HydrophobicContact CH2-CG2 4.02Å; W715-V805 HydrophobicContact CZ2-CG2 3.93Å; K801-V805 WeakPolarHBondContact O-CB 3.48Å; K801-V805 VanDerWaalsContact O-CG2 3.29Å; K801-V805 WeakPolarHBondContact O-CG2 3.38Å; K801-V805 PolarHBondContact O-N 2.95Å; Q802-V805 PolarHBondContact O-N 3.46Å; V805-V807 PolarHBondContact O-N 3.23Å; V805-R808 PolarHBondContact O-N 3.39Å; V805-N809 WeakPolarHBondContact O-CB 3.49Å; V805-N809 VanDerWaalsContact O-CG 3.23Å; V805-N809 PolarHBondContact O-N 3.39Å; V805-N809 PolarHBondContact O-ND2 2.82Å |
| 806 | A | 93.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q802 A803 N809 I810 K868 I870 L875 | Q802-A806 VanDerWaalsContact O-CB 3.23Å; Q802-A806 WeakPolarHBondContact O-CB 3.29Å; Q802-A806 PolarHBondContact O-N 2.72Å; A803-A806 PolarHBondContact O-N 2.74Å; A806-N809 PolarHBondContact O-N 2.77Å; A806-I810 WeakPolarHBondContact O-CG1 3.37Å; A806-I810 PolarHBondContact O-N 2.91Å; A806-K868 HydrophobicContact CB-CB 4.05Å; A806-K868 HydrophobicContact CB-CG 4.38Å; A806-I870 HydrophobicContact CB-CG2 4.21Å; A806-L875 HydrophobicContact CB-CD1 3.46Å; A806-L875 VanDerWaalsContact CB-CD1 3.46Å |
| 807 | V | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | A803 I804 V805 N809 I810 R811 L822 L824 A848 L850 | A803-V807 WeakPolarHBondContact O-CG2 3.14Å; A803-V807 PolarHBondContact O-N 3.26Å; I804-V807 PolarHBondContact O-N 2.86Å; V805-V807 PolarHBondContact O-N 3.23Å; V807-N809 VanDerWaalsContact C-N 3.32Å; V807-N809 PolarHBondContact O-N 2.69Å; V807-I810 PolarHBondContact O-N 3.09Å; V807-R811 WeakPolarHBondContact O-CG 3.16Å; V807-R811 PolarHBondContact O-N 3.48Å; V807-L822 HydrophobicContact CG1-CD1 4.2Å; V807-L824 HydrophobicContact CG2-CD1 4.29Å; V807-L824 HydrophobicContact CG2-CD2 4.5Å; V807-A848 HydrophobicContact CB-CB 4.15Å; V807-A848 HydrophobicContact CG1-CB 4.01Å; V807-A848 HydrophobicContact CG2-CB 4.5Å; V807-L850 HydrophobicContact CG1-CD2 3.97Å |
| 808 | R | 91.8 | Very high | 90.2 | Very high | 109 Ų | 109 | 46.4 Ų | 46.4 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.6 | -74 | 174 | -179.9 | 176.5 | 2.2 | 112 | I804 V805 R811 A812 L847 | I804-R808 HydrophobicContact CG2-CG 4.47Å; I804-R808 WeakPolarHBondContact O-CB 3.48Å; I804-R808 VanDerWaalsContact O-CG 3.29Å; I804-R808 WeakPolarHBondContact O-CG 3.4Å; I804-R808 PolarHBondContact O-N 2.83Å; V805-R808 PolarHBondContact O-N 3.39Å; R808-R811 WeakPolarHBondContact O-CB 3.39Å; R808-R811 PolarHBondContact O-N 2.89Å; R808-A812 PolarHBondContact O-N 2.96Å; R808-L847 PolarHBondContact NH2-O 2.89Å |
| 809 | N | 90.5 | Very high | 89.8 | Confident | 76 Ų | 76 | 45 Ų | 45 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 175.3 | -70.8 | -16.1 | 0 | 0 | 0 | 111 | V805 A806 V807 R811 A812 E813 | V805-N809 WeakPolarHBondContact O-CB 3.49Å; V805-N809 VanDerWaalsContact O-CG 3.23Å; V805-N809 PolarHBondContact O-N 3.39Å; V805-N809 PolarHBondContact O-ND2 2.82Å; A806-N809 PolarHBondContact O-N 2.77Å; V807-N809 VanDerWaalsContact C-N 3.32Å; V807-N809 PolarHBondContact O-N 2.69Å; N809-R811 VanDerWaalsContact C-N 3.28Å; N809-R811 PolarHBondContact O-N 3.05Å; N809-A812 PolarHBondContact O-N 2.95Å; N809-A812 VanDerWaalsContact O-N 3.16Å; N809-E813 WeakPolarHBondContact O-CB 3.41Å; N809-E813 VanDerWaalsContact O-CG 3.25Å; N809-E813 WeakPolarHBondContact O-CG 3.48Å; N809-E813 PolarHBondContact O-N 3.36Å |
| 810 | I | 89.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 173.5 | -66.2 | 169.4 | 0 | 0 | 0 | 110.3 | A806 V807 A812 E813 M814 V866 K868 I877 | A806-I810 WeakPolarHBondContact O-CG1 3.37Å; A806-I810 PolarHBondContact O-N 2.91Å; V807-I810 PolarHBondContact O-N 3.09Å; I810-A812 PolarHBondContact O-N 3.34Å; I810-E813 PolarHBondContact O-N 2.98Å; I810-M814 HydrophobicContact CG2-CG 4.16Å; I810-M814 VanDerWaalsContact O-CB 3.22Å; I810-M814 WeakPolarHBondContact O-CB 3.33Å; I810-M814 VanDerWaalsContact O-CG 3.23Å; I810-M814 WeakPolarHBondContact O-CG 3.47Å; I810-M814 PolarHBondContact O-N 2.96Å; I810-V866 HydrophobicContact CD1-CG1 4.3Å; I810-V866 HydrophobicContact CG1-CG1 3.93Å; I810-V866 HydrophobicContact CG2-CB 4.06Å; I810-V866 HydrophobicContact CG2-CG1 4.01Å; I810-K868 HydrophobicContact CD1-CB 4.25Å; I810-K868 HydrophobicContact CD1-CG 3.67Å; I810-K868 HydrophobicContact CG1-CG 3.65Å; I810-I877 HydrophobicContact CD1-CB 4.49Å; I810-I877 HydrophobicContact CD1-CG1 3.72Å; I810-I877 HydrophobicContact CG2-CB 4.1Å; I810-I877 HydrophobicContact CG2-CG1 3.98Å; I810-I877 HydrophobicContact CG2-CG2 4.45Å |
| 811 | R | 89.6 | Confident | 89.4 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 6% | 0.06 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 176.4 | -74.3 | 173.6 | 178.7 | -76.2 | 1.6 | 112.4 | V807 R808 N809 M814 N815 I816 A817 K820 L822 A848 R849 | V807-R811 WeakPolarHBondContact O-CG 3.16Å; V807-R811 PolarHBondContact O-N 3.48Å; R808-R811 WeakPolarHBondContact O-CB 3.39Å; R808-R811 PolarHBondContact O-N 2.89Å; N809-R811 VanDerWaalsContact C-N 3.28Å; N809-R811 PolarHBondContact O-N 3.05Å; R811-M814 CarbonylContact O-C 3.47Å; R811-N815 CarbonylContact O-C 3.43Å; R811-N815 WeakPolarHBondContact O-CA 3.09Å; R811-N815 PolarHBondContact O-N 2.9Å; R811-I816 HydrophobicContact CB-CB 4.29Å; R811-I816 HydrophobicContact CG-CB 4.32Å; R811-I816 PolarHBondContact O-N 2.78Å; R811-A817 PolarHBondContact NH1-O 3.34Å; R811-K820 VanDerWaalsContact CZ-O 3.28Å; R811-K820 PolarHBondContact NH1-O 3.44Å; R811-K820 PolarHBondContact NH2-O 2.96Å; R811-L822 HydrophobicContact CG-CD1 3.66Å; R811-L822 VanDerWaalsContact CZ-CG 3.47Å; R811-L822 VanDerWaalsContact NH2-CG 3.26Å; R811-A848 PolarHBondContact NE-O 2.62Å; R811-A848 PolarHBondContact NH2-O 3.25Å; R811-R849 PolarHBondContact NH2-O 2.81Å |
| 812 | A | 87.1 | Confident | 89.4 | Confident | 76 Ų | 76 | 51 Ų | 51 | 63% | 0.628 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.9 | -46.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | R808 N809 I810 M814 N815 | R808-A812 PolarHBondContact O-N 2.96Å; N809-A812 PolarHBondContact O-N 2.95Å; N809-A812 VanDerWaalsContact O-N 3.16Å; I810-A812 PolarHBondContact O-N 3.34Å; A812-M814 VanDerWaalsContact C-N 3.27Å; A812-M814 PolarHBondContact O-N 2.83Å; A812-N815 PolarHBondContact O-N 3.02Å; A812-N815 VanDerWaalsContact O-N 3.12Å |
| 813 | E | 84 | Confident | 89.3 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 177.2 | -73.2 | 169.8 | -168.5 | 0 | 0 | 111.6 | N809 I810 K868 | N809-E813 WeakPolarHBondContact O-CB 3.41Å; N809-E813 VanDerWaalsContact O-CG 3.25Å; N809-E813 WeakPolarHBondContact O-CG 3.48Å; N809-E813 PolarHBondContact O-N 3.36Å; I810-E813 PolarHBondContact O-N 2.98Å; E813-K868 IonicContact OE1-NZ 3.59Å; E813-K868 PolarHBondContact OE1-NZ 3.09Å; E813-K868 WeakPolarHBondContact OE2-CE 3.35Å; E813-K868 IonicContact OE2-NZ 2.9Å; E813-K868 PolarHBondContact OE2-NZ 3.48Å |
| 814 | M | 82.8 | Confident | 89.4 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7.4 | -179.9 | -58.9 | -52.4 | -70.2 | 0 | 0 | 113.4 | I810 R811 A812 I816 V866 M879 I883 I948 | I810-M814 HydrophobicContact CG2-CG 4.16Å; I810-M814 VanDerWaalsContact O-CB 3.22Å; I810-M814 WeakPolarHBondContact O-CB 3.33Å; I810-M814 VanDerWaalsContact O-CG 3.23Å; I810-M814 WeakPolarHBondContact O-CG 3.47Å; I810-M814 PolarHBondContact O-N 2.96Å; R811-M814 CarbonylContact O-C 3.47Å; A812-M814 VanDerWaalsContact C-N 3.27Å; A812-M814 PolarHBondContact O-N 2.83Å; M814-I816 HydrophobicContact CB-CD1 3.81Å; M814-I816 HydrophobicContact CB-CG1 3.72Å; M814-I816 PolarHBondContact O-N 2.91Å; M814-I816 VanDerWaalsContact O-N 3.11Å; M814-V866 HydrophobicContact CE-CG2 4.14Å; M814-V866 HydrophobicContact CG-CG2 4.05Å; M814-V866 HydrophobicContact SD-CG2 3.89Å; M814-M879 HydrophobicContact CE-SD 4.3Å; M814-I883 HydrophobicContact CE-CD1 3.13Å; M814-I883 HydrophobicContact CE-CG1 4.06Å; M814-I948 HydrophobicContact CE-CD1 4.15Å |
| 815 | N | 82.5 | Confident | 89.4 | Confident | 136 Ų | 136 | 51.8 Ų | 51.8 | 73% | 0.727 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 38.3 | -178.1 | -163.8 | 33 | 0 | 0 | 0 | 114.1 | R811 A812 | R811-N815 CarbonylContact O-C 3.43Å; R811-N815 WeakPolarHBondContact O-CA 3.09Å; R811-N815 PolarHBondContact O-N 2.9Å; A812-N815 PolarHBondContact O-N 3.02Å; A812-N815 VanDerWaalsContact O-N 3.12Å |
| 816 | I | 85.7 | Confident | 89.4 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | trans | -79.8 | 132.1 | -179.8 | -57.1 | 175.8 | 0 | 0 | 0 | 108.8 | R811 M814 K820 L822 L882 | R811-I816 HydrophobicContact CB-CB 4.29Å; R811-I816 HydrophobicContact CG-CB 4.32Å; R811-I816 PolarHBondContact O-N 2.78Å; M814-I816 HydrophobicContact CB-CD1 3.81Å; M814-I816 HydrophobicContact CB-CG1 3.72Å; M814-I816 PolarHBondContact O-N 2.91Å; M814-I816 VanDerWaalsContact O-N 3.11Å; I816-K820 HydrophobicContact CG2-CB 3.96Å; I816-K820 HydrophobicContact CG2-CD 4.05Å; I816-K820 HydrophobicContact CG2-CG 4.42Å; I816-L822 HydrophobicContact CD1-CD1 4.43Å; I816-L822 HydrophobicContact CD1-CD2 4.13Å; I816-L822 HydrophobicContact CG2-CD2 4.34Å; I816-L882 HydrophobicContact CD1-CD1 4.08Å | ||
| 817 | A | 86 | Confident | 89.3 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | trans | -53.2 | 133.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R811 G819 K820 | R811-A817 PolarHBondContact NH1-O 3.34Å; A817-G819 PolarHBondContact O-N 3.29Å; A817-K820 HydrophobicContact CB-CB 4.4Å; A817-K820 WeakPolarHBondContact O-CB 3.31Å; A817-K820 PolarHBondContact O-N 3.14Å | ||
| 818 | P | 84.4 | Confident | 89.1 | Confident | 113 Ų | 113 | 54.3 Ų | 54.3 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.3 | -176.5 | -28.3 | 34.1 | 0 | 0 | 0 | 114.8 | ||
| 819 | G | 86.8 | Confident | 89 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -7.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A817 P821 | A817-G819 PolarHBondContact O-N 3.29Å; G819-P821 WeakPolarHBondContact O-CD 3.3Å |
| 820 | K | 89.4 | Confident | 89 | Confident | 77 Ų | 77 | 49 Ų | 49 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -72.2 | 121.5 | -177.2 | -172.5 | 173.1 | -177 | 177.4 | 0 | 109.9 | R811 I816 A817 G881 L882 | R811-K820 VanDerWaalsContact CZ-O 3.28Å; R811-K820 PolarHBondContact NH1-O 3.44Å; R811-K820 PolarHBondContact NH2-O 2.96Å; I816-K820 HydrophobicContact CG2-CB 3.96Å; I816-K820 HydrophobicContact CG2-CD 4.05Å; I816-K820 HydrophobicContact CG2-CG 4.42Å; A817-K820 HydrophobicContact CB-CB 4.4Å; A817-K820 WeakPolarHBondContact O-CB 3.31Å; A817-K820 PolarHBondContact O-N 3.14Å; K820-G881 PolarHBondContact NZ-O 3.1Å; K820-G881 VanDerWaalsContact NZ-O 3.14Å; K820-L882 HydrophobicContact CD-CD2 4.03Å; K820-L882 VanDerWaalsContact CE-CD2 3.44Å |
| 821 | P | 91.7 | Very high | 89.1 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | trans | -59.9 | 141.8 | 173.8 | -22.7 | 34.8 | 0 | 0 | 0 | 111.3 | G819 R849 E851 | G819-P821 WeakPolarHBondContact O-CD 3.3Å; P821-R849 VanDerWaalsContact CA-O 3.31Å; P821-R849 WeakPolarHBondContact CA-O 3.49Å; P821-E851 HydrophobicContact CB-CB 3.87Å | ||
| 822 | L | 92.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.7 | 177.5 | -69.2 | -178.9 | 0 | 0 | 0 | 111.9 | V807 R811 I816 R849 L850 E851 I877 L882 | V807-L822 HydrophobicContact CG1-CD1 4.2Å; R811-L822 HydrophobicContact CG-CD1 3.66Å; R811-L822 VanDerWaalsContact CZ-CG 3.47Å; R811-L822 VanDerWaalsContact NH2-CG 3.26Å; I816-L822 HydrophobicContact CD1-CD1 4.43Å; I816-L822 HydrophobicContact CD1-CD2 4.13Å; I816-L822 HydrophobicContact CG2-CD2 4.34Å; L822-R849 PolarHBondContact N-O 3Å; L822-R849 VanDerWaalsContact N-O 3.14Å; L822-L850 HydrophobicContact CB-CD2 3.92Å; L822-L850 CarbonylContact O-C 3.54Å; L822-L850 WeakPolarHBondContact O-CA 3.16Å; L822-L850 WeakPolarHBondContact O-CB 3.19Å; L822-E851 PolarHBondContact O-N 3.26Å; L822-I877 HydrophobicContact CB-CD1 4.44Å; L822-I877 HydrophobicContact CD1-CD1 4.31Å; L822-I877 HydrophobicContact CD1-CG2 4.18Å; L822-I877 HydrophobicContact CD2-CG2 4.21Å; L822-L882 HydrophobicContact CD2-CD1 3.45Å; L822-L882 VanDerWaalsContact CD2-CD1 3.45Å; L822-L882 HydrophobicContact CD2-CD2 3.52Å; L822-L882 HydrophobicContact CD2-CG 4.15Å |
| 823 | E | 93.5 | Very high | 89.4 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.4 | 162.5 | 173.2 | 167.1 | -149.2 | 0 | 0 | 109.5 | L825 S852 I877 P878 | E823-L825 HydrophobicContact CG-CD2 3.96Å; E823-L825 HydrophobicContact CG-CG 4.25Å; E823-S852 WeakPolarHBondContact CG-OG 3.49Å; E823-I877 VanDerWaalsContact O-CD1 3.31Å; E823-I877 WeakPolarHBondContact O-CD1 3.48Å; E823-P878 HydrophobicContact CB-CG 4.49Å; E823-P878 HydrophobicContact CG-CG 4.12Å; E823-P878 VanDerWaalsContact O-CD 3.3Å; E823-P878 WeakPolarHBondContact O-CD 3.14Å |
| 824 | L | 94.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122 | 172.4 | 177.5 | 64.9 | 0 | 0 | 0 | 109.9 | V807 L850 S852 I853 T854 L875 I877 | V807-L824 HydrophobicContact CG2-CD1 4.29Å; V807-L824 HydrophobicContact CG2-CD2 4.5Å; L824-L850 HydrophobicContact CB-CD1 3.9Å; L824-L850 HydrophobicContact CB-CD2 4.09Å; L824-L850 HydrophobicContact CD2-CD1 3.63Å; L824-L850 HydrophobicContact CG-CD1 4.41Å; L824-S852 PolarHBondContact N-O 3.09Å; L824-I853 HydrophobicContact CB-CG1 4.45Å; L824-I853 HydrophobicContact CD2-CG1 4.46Å; L824-I853 HydrophobicContact CD2-CG2 4.28Å; L824-I853 CarbonylContact O-C 3.55Å; L824-I853 VanDerWaalsContact O-CA 3.27Å; L824-I853 WeakPolarHBondContact O-CA 3.48Å; L824-T854 PolarHBondContact O-N 3.06Å; L824-L875 HydrophobicContact CD1-CB 3.99Å; L824-L875 HydrophobicContact CD1-CD2 3.7Å; L824-L875 HydrophobicContact CD1-CG 4.47Å; L824-L875 HydrophobicContact CD2-CD2 3.84Å; L824-L875 HydrophobicContact CG-CD2 4.25Å; L824-I877 HydrophobicContact CB-CD1 4.2Å; L824-I877 HydrophobicContact CD1-CD1 3.67Å |
| 825 | L | 94.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.1 | 170.9 | -52.8 | 177.9 | 0 | 0 | 0 | 109.2 | E823 T854 L856 P863 L876 P878 | E823-L825 HydrophobicContact CG-CD2 3.96Å; E823-L825 HydrophobicContact CG-CG 4.25Å; L825-T854 CarbonylContact C-O 3.52Å; L825-T854 WeakPolarHBondContact CA-O 3.46Å; L825-T854 HydrophobicContact CD2-CG2 4.34Å; L825-L856 HydrophobicContact CB-CD1 4.15Å; L825-L856 HydrophobicContact CB-CG 4.22Å; L825-L856 HydrophobicContact CD1-CD1 4.48Å; L825-L856 HydrophobicContact CD1-CD2 4.44Å; L825-L856 HydrophobicContact CD2-CD2 4.45Å; L825-P863 HydrophobicContact CD1-CG 3.65Å; L825-L876 HydrophobicContact CB-CB 3.98Å; L825-L876 PolarHBondContact N-O 3.1Å; L825-L876 PolarHBondContact O-N 2.82Å; L825-P878 HydrophobicContact CD1-CG 3.65Å; L825-P878 HydrophobicContact CG-CG 3.98Å |
| 826 | L | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.5 | 179.7 | -70.4 | 160.8 | 0 | 0 | 0 | 109.2 | C829 V837 I853 T854 V855 L856 A873 E874 L875 | L826-C829 VanDerWaalsContact CB-SG 3.6Å; L826-V837 HydrophobicContact CD1-CB 4.15Å; L826-V837 HydrophobicContact CD1-CG1 3.73Å; L826-V837 HydrophobicContact CD1-CG2 3.66Å; L826-I853 HydrophobicContact CD1-CG2 3.66Å; L826-I853 HydrophobicContact CG-CG2 4.43Å; L826-T854 PolarHBondContact N-O 3.2Å; L826-V855 HydrophobicContact CB-CG2 4.35Å; L826-V855 HydrophobicContact CD1-CG2 4.02Å; L826-L856 WeakPolarHBondContact O-CB 3.29Å; L826-L856 PolarHBondContact O-N 2.87Å; L826-A873 HydrophobicContact CD2-CB 4.24Å; L826-E874 CarbonylContact C-O 3.59Å; L826-E874 WeakPolarHBondContact CA-O 3.49Å; L826-L875 HydrophobicContact CD2-CD2 3.45Å; L826-L875 VanDerWaalsContact CD2-CD2 3.45Å; L826-L875 HydrophobicContact CD2-CG 4.39Å |
| 827 | R | 91.6 | Very high | 91.3 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.7 | 178.5 | -169.5 | 172.9 | 65.9 | -170.9 | 4.4 | 110.4 | C829 L856 D860 K861 E874 L876 | R827-C829 VanDerWaalsContact C-N 3.29Å; R827-C829 PolarHBondContact O-N 2.74Å; R827-L856 HydrophobicContact CB-CD1 4.28Å; R827-D860 VanDerWaalsContact CD-O 3.25Å; R827-D860 WeakPolarHBondContact CD-O 3.45Å; R827-K861 PolarHBondContact NH1-O 2.85Å; R827-E874 HydrophobicContact CB-CB 4.2Å; R827-E874 IonicContact CZ-OE2 3.06Å; R827-E874 PolarHBondContact N-O 3.39Å; R827-E874 IonicContact NE-OE2 2.74Å; R827-E874 PolarHBondContact NE-OE2 3.48Å; R827-E874 IonicContact NH2-OE2 2.62Å; R827-E874 PolarHBondContact NH2-OE2 3.48Å; R827-E874 PolarHBondContact O-N 3.2Å; R827-L876 HydrophobicContact CB-CD1 3.56Å |
| 828 | G | 88 | Confident | 91.6 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 56% | 0.557 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 63.3 | 32.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S830 | G828-S830 PolarHBondContact O-N 3.39Š|
| 829 | C | 89.4 | Confident | 91.9 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | trans | -63 | 130 | 179.7 | -81 | 0 | 0 | 0 | 0 | 112.2 | L826 R827 A833 E834 V855 G872 | L826-C829 VanDerWaalsContact CB-SG 3.6Å; R827-C829 VanDerWaalsContact C-N 3.29Å; R827-C829 PolarHBondContact O-N 2.74Å; C829-A833 HydrophobicContact CB-CB 4.39Å; C829-E834 HydrophobicContact CB-CB 4.38Å; C829-V855 HydrophobicContact CB-CG1 4.22Å; C829-G872 CarbonylContact C-O 3.5Å; C829-G872 VanDerWaalsContact CA-O 3.26Å; C829-G872 WeakPolarHBondContact CA-O 3.29Å | ||
| 830 | S | 90.8 | Very high | 92.2 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 30% | 0.301 | 27% | 0.268 | S | S | . | . | trans | -67 | 160.6 | 159.5 | 71.8 | 0 | 0 | 0 | 0 | 110.4 | G828 D832 A833 E834 G872 | G828-S830 PolarHBondContact O-N 3.39Å; S830-D832 PolarHBondContact O-N 3.24Å; S830-A833 PolarHBondContact O-N 3.17Å; S830-A833 VanDerWaalsContact O-N 3.16Å; S830-A833 WeakPolarHBondContact OG-CB 3.37Å; S830-A833 PolarHBondContact OG-N 3.15Å; S830-A833 VanDerWaalsContact OG-N 3.14Å; S830-E834 PolarHBondContact O-N 2.99Å; S830-G872 PolarHBondContact N-O 3.04Å | ||
| 831 | A | 91.5 | Very high | 92.2 | Very high | 81 Ų | 81 | 50 Ų | 50 | 67% | 0.669 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.7 | -36.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R835 | A831-R835 WeakPolarHBondContact O-CB 3.27Å; A831-R835 PolarHBondContact O-N 3.35Å |
| 832 | D | 92.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 176.7 | -68.2 | -40.8 | 0 | 0 | 0 | 112.2 | S830 R835 R836 | S830-D832 PolarHBondContact O-N 3.24Å; D832-R835 PolarHBondContact O-N 2.95Å; D832-R836 WeakPolarHBondContact O-CB 3.37Å; D832-R836 WeakPolarHBondContact O-CD 3.46Å; D832-R836 WeakPolarHBondContact O-CG 3.35Å; D832-R836 PolarHBondContact O-N 2.95Å |
| 833 | A | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W799 C829 S830 R836 V837 A873 | W799-A833 HydrophobicContact CZ2-CB 3.77Å; C829-A833 HydrophobicContact CB-CB 4.39Å; S830-A833 PolarHBondContact O-N 3.17Å; S830-A833 VanDerWaalsContact O-N 3.16Å; S830-A833 WeakPolarHBondContact OG-CB 3.37Å; S830-A833 PolarHBondContact OG-N 3.15Å; S830-A833 VanDerWaalsContact OG-N 3.14Å; A833-R836 PolarHBondContact O-N 3.31Å; A833-V837 VanDerWaalsContact O-CG2 3.32Å; A833-V837 WeakPolarHBondContact O-CG2 3.26Å; A833-V837 PolarHBondContact O-N 3.08Å; A833-A873 HydrophobicContact CB-CB 4.18Å |
| 834 | E | 92.7 | Very high | 91.4 | Very high | 85 Ų | 85 | 46.1 Ų | 46.1 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.5 | -176.5 | 170.3 | -167.9 | 0 | 0 | 111.6 | C829 S830 V837 N838 V855 | C829-E834 HydrophobicContact CB-CB 4.38Å; S830-E834 PolarHBondContact O-N 2.99Å; E834-V837 PolarHBondContact O-N 2.83Å; E834-N838 WeakPolarHBondContact CG-ND2 3.45Å; E834-N838 VanDerWaalsContact O-CB 3.32Å; E834-N838 WeakPolarHBondContact O-CB 3.28Å; E834-N838 VanDerWaalsContact O-CG 3.26Å; E834-N838 PolarHBondContact O-N 3.37Å; E834-N838 PolarHBondContact O-ND2 2.75Å; E834-N838 VanDerWaalsContact O-ND2 3.17Å; E834-V855 HydrophobicContact CG-CG2 4.5Å |
| 835 | R | 94.3 | Very high | 91.3 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 31% | 0.306 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.5 | -52.5 | 173.2 | -178.5 | -172.1 | 63 | 86.9 | -1.6 | 111.4 | D796 A831 D832 V837 N838 E839 | D796-R835 IonicContact OD1-CZ 2.76Å; D796-R835 IonicContact OD1-NH2 3.77Å; D796-R835 PolarHBondContact OD1-NH2 2.92Å; D796-R835 IonicContact OD2-CZ 3.21Å; D796-R835 VanDerWaalsContact OD2-CZ 3.24Å; D796-R835 IonicContact OD2-NH1 3.82Å; D796-R835 PolarHBondContact OD2-NH1 3.45Å; D796-R835 IonicContact OD2-NH2 3.14Å; D796-R835 PolarHBondContact OD2-NH2 3.14Å; A831-R835 WeakPolarHBondContact O-CB 3.27Å; A831-R835 PolarHBondContact O-N 3.35Å; D832-R835 PolarHBondContact O-N 2.95Å; R835-V837 VanDerWaalsContact C-N 3.28Å; R835-V837 PolarHBondContact O-N 3.48Å; R835-N838 PolarHBondContact O-N 2.77Å; R835-E839 WeakPolarHBondContact CD-OE1 3.27Å; R835-E839 VanDerWaalsContact CG-CD 3.41Å; R835-E839 HydrophobicContact CG-CG 4.16Å; R835-E839 WeakPolarHBondContact CG-OE1 3.42Å; R835-E839 IonicContact CZ-OE2 2.71Å; R835-E839 IonicContact NH1-OE2 3.24Å; R835-E839 PolarHBondContact NH1-OE2 3.14Å; R835-E839 WeakPolarHBondContact O-CB 3.28Å; R835-E839 WeakPolarHBondContact O-CG 3.27Å; R835-E839 PolarHBondContact O-N 3.32Å |
| 836 | R | 94.3 | Very high | 91 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.2 | -44.7 | -178.9 | -75.7 | 165.7 | -179.4 | 160.8 | 3.9 | 111.7 | D796 W799 D832 A833 N840 D871 | D796-R836 HydrophobicContact CB-CG 4.13Å; D796-R836 WeakPolarHBondContact OD1-CG 3.38Å; D796-R836 IonicContact OD1-CZ 3.9Å; D796-R836 IonicContact OD1-NE 2.76Å; D796-R836 PolarHBondContact OD1-NE 3.4Å; D796-R836 IonicContact OD1-NH2 3.86Å; W799-R836 HydrophobicContact CE3-CB 4.11Å; W799-R836 HydrophobicContact CZ3-CB 4.46Å; D832-R836 WeakPolarHBondContact O-CB 3.37Å; D832-R836 WeakPolarHBondContact O-CD 3.46Å; D832-R836 WeakPolarHBondContact O-CG 3.35Å; D832-R836 PolarHBondContact O-N 2.95Å; A833-R836 PolarHBondContact O-N 3.31Å; R836-N840 VanDerWaalsContact O-CB 3.3Å; R836-N840 WeakPolarHBondContact O-CB 3.47Å; R836-N840 PolarHBondContact O-N 3.1Å; R836-N840 PolarHBondContact O-ND2 3.45Å; R836-D871 IonicContact NH1-OD2 2.74Å |
| 837 | V | 93.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | W799 L826 A833 E834 R835 E839 N840 R841 L844 I853 | W799-V837 HydrophobicContact CH2-CG2 3.33Å; W799-V837 HydrophobicContact CZ2-CG2 4.42Å; W799-V837 HydrophobicContact CZ3-CG2 3.53Å; L826-V837 HydrophobicContact CD1-CB 4.15Å; L826-V837 HydrophobicContact CD1-CG1 3.73Å; L826-V837 HydrophobicContact CD1-CG2 3.66Å; A833-V837 VanDerWaalsContact O-CG2 3.32Å; A833-V837 WeakPolarHBondContact O-CG2 3.26Å; A833-V837 PolarHBondContact O-N 3.08Å; E834-V837 PolarHBondContact O-N 2.83Å; R835-V837 VanDerWaalsContact C-N 3.28Å; R835-V837 PolarHBondContact O-N 3.48Å; V837-E839 PolarHBondContact O-N 3.1Å; V837-N840 CarbonylContact O-C 3.58Å; V837-N840 PolarHBondContact O-N 3.29Å; V837-R841 WeakPolarHBondContact O-CA 3.43Å; V837-R841 PolarHBondContact O-N 2.72Å; V837-L844 HydrophobicContact CB-CD1 4.38Å; V837-L844 HydrophobicContact CG1-CD1 4.27Å; V837-L844 HydrophobicContact CG2-CD1 4.04Å; V837-I853 HydrophobicContact CG1-CG2 3.61Å |
| 838 | N | 92.5 | Very high | 90.8 | Very high | 87 Ų | 87 | 48.5 Ų | 48.5 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | -177.5 | -75.6 | -30.3 | 0 | 0 | 0 | 111.9 | E834 R835 N840 | E834-N838 WeakPolarHBondContact CG-ND2 3.45Å; E834-N838 VanDerWaalsContact O-CB 3.32Å; E834-N838 WeakPolarHBondContact O-CB 3.28Å; E834-N838 VanDerWaalsContact O-CG 3.26Å; E834-N838 PolarHBondContact O-N 3.37Å; E834-N838 PolarHBondContact O-ND2 2.75Å; E834-N838 VanDerWaalsContact O-ND2 3.17Å; R835-N838 PolarHBondContact O-N 2.77Å; N838-N840 VanDerWaalsContact C-N 3.33Å; N838-N840 PolarHBondContact O-N 2.69Å |
| 839 | E | 91.2 | Very high | 91 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -71.6 | -24.8 | 177.6 | -69.6 | 176.1 | 175.6 | 0 | 0 | 112.9 | R835 V837 | R835-E839 WeakPolarHBondContact CD-OE1 3.27Å; R835-E839 VanDerWaalsContact CG-CD 3.41Å; R835-E839 HydrophobicContact CG-CG 4.16Å; R835-E839 WeakPolarHBondContact CG-OE1 3.42Å; R835-E839 IonicContact CZ-OE2 2.71Å; R835-E839 IonicContact NH1-OE2 3.24Å; R835-E839 PolarHBondContact NH1-OE2 3.14Å; R835-E839 WeakPolarHBondContact O-CB 3.28Å; R835-E839 WeakPolarHBondContact O-CG 3.27Å; R835-E839 PolarHBondContact O-N 3.32Å; V837-E839 PolarHBondContact O-N 3.1Å |
| 840 | N | 91.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 22.8 | -171.9 | -58.7 | -81.9 | 0 | 0 | 0 | 114.2 | L672 L800 R836 V837 N838 G842 F843 L844 | L672-N840 WeakPolarHBondContact CD2-ND2 3.38Å; L672-N840 VanDerWaalsContact CD2-OD1 3.29Å; L672-N840 WeakPolarHBondContact CD2-OD1 3.19Å; L800-N840 HydrophobicContact CD1-CB 3.76Å; L800-N840 HydrophobicContact CD2-CB 4.06Å; R836-N840 VanDerWaalsContact O-CB 3.3Å; R836-N840 WeakPolarHBondContact O-CB 3.47Å; R836-N840 PolarHBondContact O-N 3.1Å; R836-N840 PolarHBondContact O-ND2 3.45Å; V837-N840 CarbonylContact O-C 3.58Å; V837-N840 PolarHBondContact O-N 3.29Å; N838-N840 VanDerWaalsContact C-N 3.33Å; N838-N840 PolarHBondContact O-N 2.69Å; N840-G842 VanDerWaalsContact C-N 3.3Å; N840-G842 PolarHBondContact O-N 2.83Å; N840-F843 HydrophobicContact CB-CB 4.49Å; N840-F843 HydrophobicContact CB-CD2 4.22Å; N840-F843 WeakPolarHBondContact O-CB 3.49Å; N840-F843 PolarHBondContact O-N 2.99Å; N840-L844 PolarHBondContact O-N 2.85Å; N840-L844 VanDerWaalsContact O-N 3.12Å |
| 841 | R | 90 | Very high | 91.3 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 39% | 0.389 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.6 | -43.9 | -174.4 | -164.5 | 176.8 | 178.7 | 144.5 | -1.7 | 112.9 | V837 F843 L844 Q845 I853 | V837-R841 WeakPolarHBondContact O-CA 3.43Å; V837-R841 PolarHBondContact O-N 2.72Å; R841-F843 PolarHBondContact O-N 2.84Å; R841-L844 PolarHBondContact O-N 3.11Å; R841-Q845 WeakPolarHBondContact O-CB 3.47Å; R841-Q845 WeakPolarHBondContact O-CG 3.46Å; R841-Q845 PolarHBondContact O-N 3.47Å; R841-I853 HydrophobicContact CG-CD1 4.05Å; R841-I853 PolarHBondContact NH2-O 3.01Å |
| 842 | G | 84.4 | Confident | 91.4 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 43% | 0.433 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N840 T846 | N840-G842 VanDerWaalsContact C-N 3.3Å; N840-G842 PolarHBondContact O-N 2.83Å; G842-T846 WeakPolarHBondContact O-CB 3.18Å; G842-T846 PolarHBondContact O-N 3.06Å; G842-T846 PolarHBondContact O-OG1 2.84Å |
| 843 | F | 85.9 | Confident | 91.5 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -49.6 | 175.3 | -74.1 | -67.7 | 0 | 0 | 0 | 111.2 | L719 P722 V723 N840 R841 Q845 T846 L847 | L719-F843 HydrophobicContact CD2-CD1 4.39Å; L719-F843 WeakPolarHBondContact O-CE1 3.44Å; P722-F843 HydrophobicContact CB-CD1 4.19Å; P722-F843 HydrophobicContact CB-CE1 4.07Å; P722-F843 HydrophobicContact CG-CD1 3.83Å; P722-F843 HydrophobicContact CG-CE1 4.03Å; V723-F843 HydrophobicContact CG2-CE1 4.16Å; V723-F843 HydrophobicContact CG2-CZ 3.83Å; N840-F843 HydrophobicContact CB-CB 4.49Å; N840-F843 HydrophobicContact CB-CD2 4.22Å; N840-F843 WeakPolarHBondContact O-CB 3.49Å; N840-F843 PolarHBondContact O-N 2.99Å; R841-F843 PolarHBondContact O-N 2.84Å; F843-Q845 PolarHBondContact O-N 2.66Å; F843-T846 PolarHBondContact O-N 2.74Å; F843-L847 WeakPolarHBondContact O-CB 3.36Å; F843-L847 PolarHBondContact O-N 2.93Å |
| 844 | L | 91.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 178.4 | -73.6 | 171.3 | 0 | 0 | 0 | 111.7 | L800 A803 I804 V837 N840 R841 T846 A848 L850 I853 | L800-L844 HydrophobicContact CD2-CD1 3.78Å; L800-L844 HydrophobicContact CD2-CD2 3.65Å; L800-L844 HydrophobicContact CD2-CG 3.71Å; A803-L844 HydrophobicContact CB-CD2 4.25Å; I804-L844 HydrophobicContact CD1-CD2 4.41Å; I804-L844 HydrophobicContact CG1-CD2 3.98Å; V837-L844 HydrophobicContact CB-CD1 4.38Å; V837-L844 HydrophobicContact CG1-CD1 4.27Å; V837-L844 HydrophobicContact CG2-CD1 4.04Å; N840-L844 PolarHBondContact O-N 2.85Å; N840-L844 VanDerWaalsContact O-N 3.12Å; R841-L844 PolarHBondContact O-N 3.11Å; L844-T846 VanDerWaalsContact C-N 3.29Å; L844-T846 PolarHBondContact O-N 3.26Å; L844-A848 WeakPolarHBondContact O-CB 3.44Å; L844-A848 PolarHBondContact O-N 2.72Å; L844-L850 HydrophobicContact CB-CD1 4.48Å; L844-I853 HydrophobicContact CB-CD1 3.52Å; L844-I853 HydrophobicContact CD1-CD1 4.01Å; L844-I853 HydrophobicContact CG-CD1 4.43Å |
| 845 | Q | 91.7 | Very high | 91.6 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 177.9 | -75.1 | 176.6 | -56.4 | 0 | 0 | 111.9 | R841 F843 R849 L850 E851 I853 | R841-Q845 WeakPolarHBondContact O-CB 3.47Å; R841-Q845 WeakPolarHBondContact O-CG 3.46Å; R841-Q845 PolarHBondContact O-N 3.47Å; F843-Q845 PolarHBondContact O-N 2.66Å; Q845-R849 CarbonylContact O-C 3.53Å; Q845-R849 WeakPolarHBondContact O-CA 3.19Å; Q845-R849 PolarHBondContact O-N 2.75Å; Q845-R849 VanDerWaalsContact O-N 3.09Å; Q845-L850 HydrophobicContact CB-CB 4.5Å; Q845-L850 HydrophobicContact CG-CB 4.2Å; Q845-L850 PolarHBondContact O-N 3.42Å; Q845-E851 PolarHBondContact NE2-O 3.48Å; Q845-I853 HydrophobicContact CG-CD1 3.9Å; Q845-I853 HydrophobicContact CG-CG1 4.07Å |
| 846 | T | 88.5 | Confident | 91.5 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 31% | 0.307 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.9 | -50.1 | -178.5 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | P722 G842 F843 L844 R849 | P722-T846 HydrophobicContact CG-CG2 4.02Å; G842-T846 WeakPolarHBondContact O-CB 3.18Å; G842-T846 PolarHBondContact O-N 3.06Å; G842-T846 PolarHBondContact O-OG1 2.84Å; F843-T846 PolarHBondContact O-N 2.74Å; L844-T846 VanDerWaalsContact C-N 3.29Å; L844-T846 PolarHBondContact O-N 3.26Å; T846-R849 PolarHBondContact O-N 3.09Å; T846-R849 PolarHBondContact O-NH1 3.07Å |
| 847 | L | 89.4 | Confident | 91.2 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.6 | -29.2 | -170.7 | -71.6 | 175.1 | 0 | 0 | 0 | 114.4 | E718 L719 I804 R808 F843 | E718-L847 HydrophobicContact CB-CD2 4.02Å; L719-L847 HydrophobicContact CD2-CD1 3.28Å; L719-L847 HydrophobicContact CG-CD1 3.88Å; I804-L847 HydrophobicContact CD1-CB 3.82Å; I804-L847 HydrophobicContact CD1-CD1 3.84Å; I804-L847 HydrophobicContact CG1-CB 4.35Å; R808-L847 PolarHBondContact NH2-O 2.89Å; F843-L847 WeakPolarHBondContact O-CB 3.36Å; F843-L847 PolarHBondContact O-N 2.93Å |
| 848 | A | 92.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I804 V807 R811 L844 L850 | I804-A848 HydrophobicContact CG1-CB 4.35Å; V807-A848 HydrophobicContact CB-CB 4.15Å; V807-A848 HydrophobicContact CG1-CB 4.01Å; V807-A848 HydrophobicContact CG2-CB 4.5Å; R811-A848 PolarHBondContact NE-O 2.62Å; R811-A848 PolarHBondContact NH2-O 3.25Å; L844-A848 WeakPolarHBondContact O-CB 3.44Å; L844-A848 PolarHBondContact O-N 2.72Å; A848-L850 HydrophobicContact CB-CD1 4.04Å; A848-L850 HydrophobicContact CB-CD2 4.14Å; A848-L850 HydrophobicContact CB-CG 3.84Å |
| 849 | R | 92 | Very high | 90 | Very high | 135 Ų | 135 | 58.7 Ų | 58.7 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 52.8 | -178.8 | -63.3 | -67.7 | -174.3 | -136.1 | 8.2 | 111.9 | R811 P821 L822 Q845 T846 | R811-R849 PolarHBondContact NH2-O 2.81Å; P821-R849 VanDerWaalsContact CA-O 3.31Å; P821-R849 WeakPolarHBondContact CA-O 3.49Å; L822-R849 PolarHBondContact N-O 3Å; L822-R849 VanDerWaalsContact N-O 3.14Å; Q845-R849 CarbonylContact O-C 3.53Å; Q845-R849 WeakPolarHBondContact O-CA 3.19Å; Q845-R849 PolarHBondContact O-N 2.75Å; Q845-R849 VanDerWaalsContact O-N 3.09Å; T846-R849 PolarHBondContact O-N 3.09Å; T846-R849 PolarHBondContact O-NH1 3.07Å |
| 850 | L | 93.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.7 | -178.5 | -48.8 | 170.2 | 0 | 0 | 0 | 110.6 | V807 L822 L824 L844 Q845 A848 I853 | V807-L850 HydrophobicContact CG1-CD2 3.97Å; L822-L850 HydrophobicContact CB-CD2 3.92Å; L822-L850 CarbonylContact O-C 3.54Å; L822-L850 WeakPolarHBondContact O-CA 3.16Å; L822-L850 WeakPolarHBondContact O-CB 3.19Å; L824-L850 HydrophobicContact CB-CD1 3.9Å; L824-L850 HydrophobicContact CB-CD2 4.09Å; L824-L850 HydrophobicContact CD2-CD1 3.63Å; L824-L850 HydrophobicContact CG-CD1 4.41Å; L844-L850 HydrophobicContact CB-CD1 4.48Å; Q845-L850 HydrophobicContact CB-CB 4.5Å; Q845-L850 HydrophobicContact CG-CB 4.2Å; Q845-L850 PolarHBondContact O-N 3.42Å; A848-L850 HydrophobicContact CB-CD1 4.04Å; A848-L850 HydrophobicContact CB-CD2 4.14Å; A848-L850 HydrophobicContact CB-CG 3.84Å; L850-I853 HydrophobicContact CB-CG1 4.48Å; L850-I853 HydrophobicContact CD1-CD1 3.82Å; L850-I853 HydrophobicContact CD1-CG1 3.82Å |
| 851 | E | 93.4 | Very high | 89.1 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 65% | 0.654 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -48.1 | 169.7 | -176.6 | 171.1 | -176.9 | 0 | 0 | 110.2 | P821 L822 Q845 | P821-E851 HydrophobicContact CB-CB 3.87Å; L822-E851 PolarHBondContact O-N 3.26Å; Q845-E851 PolarHBondContact NE2-O 3.48Å |
| 852 | S | 93.5 | Very high | 88.8 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.9 | -177 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | E823 L824 | E823-S852 WeakPolarHBondContact CG-OG 3.49Å; L824-S852 PolarHBondContact N-O 3.09Å |
| 853 | I | 95 | Very high | 88.8 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120.9 | 171.8 | -53.7 | 178.3 | 0 | 0 | 0 | 107.2 | L824 L826 V837 R841 L844 Q845 L850 | L824-I853 HydrophobicContact CB-CG1 4.45Å; L824-I853 HydrophobicContact CD2-CG1 4.46Å; L824-I853 HydrophobicContact CD2-CG2 4.28Å; L824-I853 CarbonylContact O-C 3.55Å; L824-I853 VanDerWaalsContact O-CA 3.27Å; L824-I853 WeakPolarHBondContact O-CA 3.48Å; L826-I853 HydrophobicContact CD1-CG2 3.66Å; L826-I853 HydrophobicContact CG-CG2 4.43Å; V837-I853 HydrophobicContact CG1-CG2 3.61Å; R841-I853 HydrophobicContact CG-CD1 4.05Å; R841-I853 PolarHBondContact NH2-O 3.01Å; L844-I853 HydrophobicContact CB-CD1 3.52Å; L844-I853 HydrophobicContact CD1-CD1 4.01Å; L844-I853 HydrophobicContact CG-CD1 4.43Å; Q845-I853 HydrophobicContact CG-CD1 3.9Å; Q845-I853 HydrophobicContact CG-CG1 4.07Å; L850-I853 HydrophobicContact CB-CG1 4.48Å; L850-I853 HydrophobicContact CD1-CD1 3.82Å; L850-I853 HydrophobicContact CD1-CG1 3.82Å |
| 854 | T | 94.1 | Very high | 88.6 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.7 | -175.8 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | L824 L825 L826 | L824-T854 PolarHBondContact O-N 3.06Å; L825-T854 CarbonylContact C-O 3.52Å; L825-T854 WeakPolarHBondContact CA-O 3.46Å; L825-T854 HydrophobicContact CD2-CG2 4.34Å; L826-T854 PolarHBondContact N-O 3.2Å |
| 855 | V | 92.2 | Very high | 88.4 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121.7 | 170.6 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | L826 C829 E834 | L826-V855 HydrophobicContact CB-CG2 4.35Å; L826-V855 HydrophobicContact CD1-CG2 4.02Å; C829-V855 HydrophobicContact CB-CG1 4.22Å; E834-V855 HydrophobicContact CG-CG2 4.5Å |
| 856 | L | 91.8 | Very high | 88.2 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 143.7 | 178.6 | -66.3 | -179.4 | 0 | 0 | 0 | 110.6 | L825 L826 R827 D860 | L825-L856 HydrophobicContact CB-CD1 4.15Å; L825-L856 HydrophobicContact CB-CG 4.22Å; L825-L856 HydrophobicContact CD1-CD1 4.48Å; L825-L856 HydrophobicContact CD1-CD2 4.44Å; L825-L856 HydrophobicContact CD2-CD2 4.45Å; L826-L856 WeakPolarHBondContact O-CB 3.29Å; L826-L856 PolarHBondContact O-N 2.87Å; R827-L856 HydrophobicContact CB-CD1 4.28Å; L856-D860 HydrophobicContact CB-CB 4.29Å |
| 857 | P | 87.5 | Confident | 88.1 | Confident | 86 Ų | 86 | 63 Ų | 63 | 56% | 0.558 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 152.5 | 169.4 | -22.7 | 32.7 | 0 | 0 | 0 | 112.1 | D859 D860 | P857-D859 PolarHBondContact O-N 3.14Å; P857-D860 HydrophobicContact CB-CB 4.26Å; P857-D860 HydrophobicContact CG-CB 4.33Å; P857-D860 WeakPolarHBondContact O-CB 3.33Å; P857-D860 PolarHBondContact O-N 2.82Å |
| 858 | A | 79.1 | Confident | 88.2 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 82% | 0.818 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 859 | D | 81.2 | Confident | 88 | Confident | 163 Ų | 163 | 71.1 Ų | 71.1 | 87% | 0.872 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.5 | -179 | -61.1 | -44.7 | 0 | 0 | 0 | 113.8 | P857 | P857-D859 PolarHBondContact O-N 3.14Š|
| 860 | D | 84.5 | Confident | 88 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | trans | -87.2 | 118 | -178 | -167.9 | -10.3 | 0 | 0 | 0 | 110.7 | R827 L856 P857 G862 | R827-D860 VanDerWaalsContact CD-O 3.25Å; R827-D860 WeakPolarHBondContact CD-O 3.45Å; L856-D860 HydrophobicContact CB-CB 4.29Å; P857-D860 HydrophobicContact CB-CB 4.26Å; P857-D860 HydrophobicContact CG-CB 4.33Å; P857-D860 WeakPolarHBondContact O-CB 3.33Å; P857-D860 PolarHBondContact O-N 2.82Å; D860-G862 PolarHBondContact O-N 3.1Å; D860-G862 PolarHBondContact OD1-N 2.87Å | ||
| 861 | K | 80.6 | Confident | 87.7 | Confident | 167 Ų | 167 | 70 Ų | 70 | 73% | 0.726 | 40% | 0.398 | S | S | * | . | trans | -74.7 | -15.8 | 177.3 | -66.3 | -172.1 | 178.2 | -176.5 | 0 | 112.3 | R827 | R827-K861 PolarHBondContact NH1-O 2.85Š| ||
| 862 | G | 82.4 | Confident | 87.5 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | trans | 69 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D860 | D860-G862 PolarHBondContact O-N 3.1Å; D860-G862 PolarHBondContact OD1-N 2.87Å | ||
| 863 | P | 84.9 | Confident | 87.4 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -71.4 | 169.5 | 175.8 | 32.1 | -35.3 | 0 | 0 | 0 | 111.6 | L825 S865 P878 | L825-P863 HydrophobicContact CD1-CG 3.65Å; P863-S865 PolarHBondContact O-N 3.01Å; P863-S865 PolarHBondContact O-OG 3.38Å; P863-P878 HydrophobicContact CG-CB 3.91Å; P863-P878 HydrophobicContact CG-CG 3.85Å |
| 864 | V | 81.6 | Confident | 87.3 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -59.2 | 113.6 | 172.3 | -166.8 | 0 | 0 | 0 | 0 | 109.4 | M879 V947 L951 | V864-M879 HydrophobicContact CB-CE 4.3Å; V864-M879 HydrophobicContact CG1-CE 3.4Å; V864-M879 PolarHBondContact O-N 3.43Å; V864-V947 HydrophobicContact CG1-CG1 4.39Å; V864-L951 HydrophobicContact CB-CD2 3.93Å; V864-L951 HydrophobicContact CG1-CD2 4.01Å |
| 865 | S | 86.8 | Confident | 87.2 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.3 | -168.4 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | P863 T867 I877 P878 | P863-S865 PolarHBondContact O-N 3.01Å; P863-S865 PolarHBondContact O-OG 3.38Å; S865-T867 PolarHBondContact O-N 3.48Å; S865-I877 VanDerWaalsContact CA-O 3.26Å; S865-I877 WeakPolarHBondContact CA-O 3.4Å; S865-I877 WeakPolarHBondContact CB-O 3.4Å; S865-P878 WeakPolarHBondContact OG-CA 3.4Å |
| 866 | V | 87.4 | Confident | 87.3 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.1 | 160.4 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | I810 M814 L876 I877 M879 | I810-V866 HydrophobicContact CD1-CG1 4.3Å; I810-V866 HydrophobicContact CG1-CG1 3.93Å; I810-V866 HydrophobicContact CG2-CB 4.06Å; I810-V866 HydrophobicContact CG2-CG1 4.01Å; M814-V866 HydrophobicContact CE-CG2 4.14Å; M814-V866 HydrophobicContact CG-CG2 4.05Å; M814-V866 HydrophobicContact SD-CG2 3.89Å; V866-L876 WeakPolarHBondContact O-CA 3.31Å; V866-I877 PolarHBondContact N-O 2.91Å; V866-I877 PolarHBondContact O-N 3.45Å; V866-M879 HydrophobicContact CG2-CG 3.91Å; V866-M879 HydrophobicContact CG2-SD 3.79Å |
| 867 | T | 87.3 | Confident | 87.3 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.2 | -176.1 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | S865 E874 L875 L876 | S865-T867 PolarHBondContact O-N 3.48Å; T867-E874 HydrophobicContact CG2-CB 4.05Å; T867-L875 CarbonylContact C-O 3.54Å; T867-L875 VanDerWaalsContact CA-O 3.27Å; T867-L875 WeakPolarHBondContact CA-O 3.34Å; T867-L876 HydrophobicContact CG2-CD1 4.3Å; T867-L876 HydrophobicContact CG2-CG 4.25Å |
| 868 | K | 90.9 | Very high | 87.4 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 26% | 0.261 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135 | 165.6 | -71.1 | -72.2 | -174.4 | -178 | 0 | 108.9 | A806 I810 E813 L875 | A806-K868 HydrophobicContact CB-CB 4.05Å; A806-K868 HydrophobicContact CB-CG 4.38Å; I810-K868 HydrophobicContact CD1-CB 4.25Å; I810-K868 HydrophobicContact CD1-CG 3.67Å; I810-K868 HydrophobicContact CG1-CG 3.65Å; E813-K868 IonicContact OE1-NZ 3.59Å; E813-K868 PolarHBondContact OE1-NZ 3.09Å; E813-K868 WeakPolarHBondContact OE2-CE 3.35Å; E813-K868 IonicContact OE2-NZ 2.9Å; E813-K868 PolarHBondContact OE2-NZ 3.48Å; K868-L875 PolarHBondContact N-O 2.65Å; K868-L875 PolarHBondContact O-N 3.38Å |
| 869 | I | 89.5 | Confident | 87.5 | Confident | 134 Ų | 134 | 52.4 Ų | 52.4 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.4 | 178 | -53.6 | 178.7 | 0 | 0 | 0 | 108 | E874 | I869-E874 HydrophobicContact CG1-CG 4.32Å |
| 870 | I | 91.6 | Very high | 87 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 173.2 | 169.5 | 60.2 | 165.2 | 0 | 0 | 0 | 108.9 | W799 Q802 A803 A806 G872 A873 L875 | W799-I870 HydrophobicContact CD2-CD1 4.18Å; W799-I870 VanDerWaalsContact CE2-CD1 3.48Å; W799-I870 HydrophobicContact CH2-CD1 3.81Å; W799-I870 HydrophobicContact CZ2-CD1 3.29Å; W799-I870 HydrophobicContact CZ2-CG1 4.25Å; W799-I870 HydrophobicContact CZ3-CD1 4.45Å; Q802-I870 HydrophobicContact CB-CG2 4.39Å; A803-I870 HydrophobicContact CB-CD1 3.87Å; A806-I870 HydrophobicContact CB-CG2 4.21Å; I870-G872 PolarHBondContact O-N 2.9Å; I870-G872 VanDerWaalsContact O-N 3.08Å; I870-A873 HydrophobicContact CD1-CB 4.49Å; I870-A873 HydrophobicContact CG1-CB 4.14Å; I870-A873 WeakPolarHBondContact CG1-O 3.45Å; I870-A873 PolarHBondContact N-O 3.11Å; I870-A873 PolarHBondContact O-N 3.24Å; I870-A873 VanDerWaalsContact O-N 3.15Å; I870-L875 HydrophobicContact CD1-CD1 3.82Å; I870-L875 HydrophobicContact CD1-CD2 4.28Å; I870-L875 HydrophobicContact CD1-CG 4.07Å; I870-L875 HydrophobicContact CG1-CD1 4Å; I870-L875 HydrophobicContact CG1-CG 4.15Å; I870-L875 HydrophobicContact CG2-CD1 3.76Å |
| 871 | D | 86.8 | Confident | 86.4 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 118.5 | -179.1 | 179 | 46.3 | 0 | 0 | 0 | 111.6 | W799 R836 A873 | W799-D871 PolarHBondContact NE1-O 3.4Å; R836-D871 IonicContact NH1-OD2 2.74Å; D871-A873 PolarHBondContact O-N 3.14Å; D871-A873 VanDerWaalsContact O-N 3.16Å |
| 872 | G | 89 | Confident | 85.9 | Confident | 29 Ų | 29 | 42.5 Ų | 42.5 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 14.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | C829 S830 I870 | C829-G872 CarbonylContact C-O 3.5Å; C829-G872 VanDerWaalsContact CA-O 3.26Å; C829-G872 WeakPolarHBondContact CA-O 3.29Å; S830-G872 PolarHBondContact N-O 3.04Å; I870-G872 PolarHBondContact O-N 2.9Å; I870-G872 VanDerWaalsContact O-N 3.08Å |
| 873 | A | 92.1 | Very high | 85.1 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 149.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W799 L826 A833 I870 D871 | W799-A873 HydrophobicContact CZ2-CB 3.95Å; L826-A873 HydrophobicContact CD2-CB 4.24Å; A833-A873 HydrophobicContact CB-CB 4.18Å; I870-A873 HydrophobicContact CD1-CB 4.49Å; I870-A873 HydrophobicContact CG1-CB 4.14Å; I870-A873 WeakPolarHBondContact CG1-O 3.45Å; I870-A873 PolarHBondContact N-O 3.11Å; I870-A873 PolarHBondContact O-N 3.24Å; I870-A873 VanDerWaalsContact O-N 3.15Å; D871-A873 PolarHBondContact O-N 3.14Å; D871-A873 VanDerWaalsContact O-N 3.16Å |
| 874 | E | 91.5 | Very high | 84.5 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.6 | 165.3 | -57.2 | 179.6 | 179.1 | 0 | 0 | 109.6 | L826 R827 T867 I869 L876 | L826-E874 CarbonylContact C-O 3.59Å; L826-E874 WeakPolarHBondContact CA-O 3.49Å; R827-E874 HydrophobicContact CB-CB 4.2Å; R827-E874 IonicContact CZ-OE2 3.06Å; R827-E874 PolarHBondContact N-O 3.39Å; R827-E874 IonicContact NE-OE2 2.74Å; R827-E874 PolarHBondContact NE-OE2 3.48Å; R827-E874 IonicContact NH2-OE2 2.62Å; R827-E874 PolarHBondContact NH2-OE2 3.48Å; R827-E874 PolarHBondContact O-N 3.2Å; T867-E874 HydrophobicContact CG2-CB 4.05Å; I869-E874 HydrophobicContact CG1-CG 4.32Å; E874-L876 HydrophobicContact CB-CD1 3.84Å; E874-L876 VanDerWaalsContact O-CD1 3.31Å; E874-L876 WeakPolarHBondContact O-CD1 3.49Å |
| 875 | L | 93.5 | Very high | 84 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.8 | 175.9 | -63.3 | 161.7 | 0 | 0 | 0 | 109.1 | A803 A806 L824 L826 T867 K868 I870 | A803-L875 HydrophobicContact CB-CD1 4.35Å; A803-L875 HydrophobicContact CB-CD2 4.41Å; A806-L875 HydrophobicContact CB-CD1 3.46Å; A806-L875 VanDerWaalsContact CB-CD1 3.46Å; L824-L875 HydrophobicContact CD1-CB 3.99Å; L824-L875 HydrophobicContact CD1-CD2 3.7Å; L824-L875 HydrophobicContact CD1-CG 4.47Å; L824-L875 HydrophobicContact CD2-CD2 3.84Å; L824-L875 HydrophobicContact CG-CD2 4.25Å; L826-L875 HydrophobicContact CD2-CD2 3.45Å; L826-L875 VanDerWaalsContact CD2-CD2 3.45Å; L826-L875 HydrophobicContact CD2-CG 4.39Å; T867-L875 CarbonylContact C-O 3.54Å; T867-L875 VanDerWaalsContact CA-O 3.27Å; T867-L875 WeakPolarHBondContact CA-O 3.34Å; K868-L875 PolarHBondContact N-O 2.65Å; K868-L875 PolarHBondContact O-N 3.38Å; I870-L875 HydrophobicContact CD1-CD1 3.82Å; I870-L875 HydrophobicContact CD1-CD2 4.28Å; I870-L875 HydrophobicContact CD1-CG 4.07Å; I870-L875 HydrophobicContact CG1-CD1 4Å; I870-L875 HydrophobicContact CG1-CG 4.15Å; I870-L875 HydrophobicContact CG2-CD1 3.76Å |
| 876 | L | 93 | Very high | 83.6 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.9 | -179.2 | -71.1 | 82.9 | 0 | 0 | 0 | 109 | L825 R827 V866 T867 E874 | L825-L876 HydrophobicContact CB-CB 3.98Å; L825-L876 PolarHBondContact N-O 3.1Å; L825-L876 PolarHBondContact O-N 2.82Å; R827-L876 HydrophobicContact CB-CD1 3.56Å; V866-L876 WeakPolarHBondContact O-CA 3.31Å; T867-L876 HydrophobicContact CG2-CD1 4.3Å; T867-L876 HydrophobicContact CG2-CG 4.25Å; E874-L876 HydrophobicContact CB-CD1 3.84Å; E874-L876 VanDerWaalsContact O-CD1 3.31Å; E874-L876 WeakPolarHBondContact O-CD1 3.49Å |
| 877 | I | 91.8 | Very high | 83.1 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 109.4 | 168.9 | -59.2 | -61.5 | 0 | 0 | 0 | 108.1 | I810 L822 E823 L824 S865 V866 M879 L882 | I810-I877 HydrophobicContact CD1-CB 4.49Å; I810-I877 HydrophobicContact CD1-CG1 3.72Å; I810-I877 HydrophobicContact CG2-CB 4.1Å; I810-I877 HydrophobicContact CG2-CG1 3.98Å; I810-I877 HydrophobicContact CG2-CG2 4.45Å; L822-I877 HydrophobicContact CB-CD1 4.44Å; L822-I877 HydrophobicContact CD1-CD1 4.31Å; L822-I877 HydrophobicContact CD1-CG2 4.18Å; L822-I877 HydrophobicContact CD2-CG2 4.21Å; E823-I877 VanDerWaalsContact O-CD1 3.31Å; E823-I877 WeakPolarHBondContact O-CD1 3.48Å; L824-I877 HydrophobicContact CB-CD1 4.2Å; L824-I877 HydrophobicContact CD1-CD1 3.67Å; S865-I877 VanDerWaalsContact CA-O 3.26Å; S865-I877 WeakPolarHBondContact CA-O 3.4Å; S865-I877 WeakPolarHBondContact CB-O 3.4Å; V866-I877 PolarHBondContact N-O 2.91Å; V866-I877 PolarHBondContact O-N 3.45Å; I877-M879 PolarHBondContact O-N 2.85Å; I877-L882 HydrophobicContact CG2-CD1 3.62Å |
| 878 | P | 89.7 | Confident | 82.5 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 128.6 | 177.9 | -24.6 | 35.3 | 0 | 0 | 0 | 111.1 | E823 L825 P863 S865 A880 L882 | E823-P878 HydrophobicContact CB-CG 4.49Å; E823-P878 HydrophobicContact CG-CG 4.12Å; E823-P878 VanDerWaalsContact O-CD 3.3Å; E823-P878 WeakPolarHBondContact O-CD 3.14Å; L825-P878 HydrophobicContact CD1-CG 3.65Å; L825-P878 HydrophobicContact CG-CG 3.98Å; P863-P878 HydrophobicContact CG-CB 3.91Å; P863-P878 HydrophobicContact CG-CG 3.85Å; S865-P878 WeakPolarHBondContact OG-CA 3.4Å; P878-A880 VanDerWaalsContact C-N 3.33Å; P878-L882 WeakPolarHBondContact O-CD1 3.35Å |
| 879 | M | 80.7 | Confident | 82.2 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | trans | -79.8 | -18.2 | -177 | -68.1 | -171 | -70.7 | 0 | 0 | 113.4 | M814 V864 V866 I877 G881 L882 I883 V947 I948 L951 | M814-M879 HydrophobicContact CE-SD 4.3Å; V864-M879 HydrophobicContact CB-CE 4.3Å; V864-M879 HydrophobicContact CG1-CE 3.4Å; V864-M879 PolarHBondContact O-N 3.43Å; V866-M879 HydrophobicContact CG2-CG 3.91Å; V866-M879 HydrophobicContact CG2-SD 3.79Å; I877-M879 PolarHBondContact O-N 2.85Å; M879-G881 PolarHBondContact O-N 3.01Å; M879-L882 PolarHBondContact O-N 3.15Å; M879-L882 VanDerWaalsContact O-N 3.08Å; M879-I883 HydrophobicContact CB-CD1 3.88Å; M879-I883 HydrophobicContact CG-CD1 3.97Å; M879-I883 HydrophobicContact SD-CD1 3.94Å; M879-V947 HydrophobicContact CE-CG1 3.43Å; M879-V947 VanDerWaalsContact CE-CG1 3.43Å; M879-V947 HydrophobicContact SD-CG1 4.35Å; M879-I948 HydrophobicContact CE-CD1 4.43Å; M879-I948 HydrophobicContact SD-CD1 3.59Å; M879-I948 VanDerWaalsContact SD-CD1 3.59Å; M879-L951 HydrophobicContact CB-CD1 3.89Å; M879-L951 HydrophobicContact CB-CD2 3.91Å; M879-L951 HydrophobicContact CE-CD1 3.99Å; M879-L951 HydrophobicContact CE-CD2 3.83Å; M879-L951 HydrophobicContact CE-CG 4.03Å; M879-L951 HydrophobicContact SD-CD1 4.19Å | ||
| 880 | A | 72.7 | Confident | 81.8 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 122.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P878 L882 | P878-A880 VanDerWaalsContact C-N 3.33Å; A880-L882 PolarHBondContact O-N 2.81Å |
| 881 | G | 70.7 | Confident | 81.4 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 75% | 0.753 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -4.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K820 M879 | K820-G881 PolarHBondContact NZ-O 3.1Å; K820-G881 VanDerWaalsContact NZ-O 3.14Å; M879-G881 PolarHBondContact O-N 3.01Å |
| 882 | L | 70.5 | Confident | 81.2 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -26.9 | 174.9 | -63.2 | -179.3 | 0 | 0 | 0 | 113.1 | I816 K820 L822 I877 P878 M879 A880 | I816-L882 HydrophobicContact CD1-CD1 4.08Å; K820-L882 HydrophobicContact CD-CD2 4.03Å; K820-L882 VanDerWaalsContact CE-CD2 3.44Å; L822-L882 HydrophobicContact CD2-CD1 3.45Å; L822-L882 VanDerWaalsContact CD2-CD1 3.45Å; L822-L882 HydrophobicContact CD2-CD2 3.52Å; L822-L882 HydrophobicContact CD2-CG 4.15Å; I877-L882 HydrophobicContact CG2-CD1 3.62Å; P878-L882 WeakPolarHBondContact O-CD1 3.35Å; M879-L882 PolarHBondContact O-N 3.15Å; M879-L882 VanDerWaalsContact O-N 3.08Å; A880-L882 PolarHBondContact O-N 2.81Å |
| 883 | I | 65.8 | Low | 81.1 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -127.3 | 132.1 | -167.7 | -51.8 | 171.7 | 0 | 0 | 0 | 108.8 | M814 M879 K885 E888 I948 | M814-I883 HydrophobicContact CE-CD1 3.13Å; M814-I883 HydrophobicContact CE-CG1 4.06Å; M879-I883 HydrophobicContact CB-CD1 3.88Å; M879-I883 HydrophobicContact CG-CD1 3.97Å; M879-I883 HydrophobicContact SD-CD1 3.94Å; I883-K885 PolarHBondContact O-N 2.91Å; I883-E888 HydrophobicContact CG2-CB 3.24Å; I883-E888 HydrophobicContact CG2-CG 3.56Å; I883-I948 HydrophobicContact CD1-CD1 3.56Å |
| 884 | N | 71.2 | Confident | 80.9 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | trans | -77.9 | 108.6 | 159.8 | 179.4 | -9.7 | 0 | 0 | 0 | 107.4 | E886 D887 E888 | N884-E886 PolarHBondContact O-N 3.46Å; N884-E886 PolarHBondContact OD1-N 2.84Å; N884-E886 VanDerWaalsContact OD1-N 3.1Å; N884-D887 HydrophobicContact CB-CB 3.99Å; N884-D887 WeakPolarHBondContact CB-OD2 3.26Å; N884-D887 VanDerWaalsContact CG-OD2 3.31Å; N884-D887 VanDerWaalsContact ND2-CG 3.26Å; N884-D887 PolarHBondContact ND2-OD2 2.56Å; N884-D887 PolarHBondContact O-N 3.01Å; N884-D887 VanDerWaalsContact O-N 3.15Å; N884-E888 WeakPolarHBondContact O-CB 3.33Å; N884-E888 PolarHBondContact O-N 3.4Å | ||
| 885 | K | 72.3 | Confident | 80.6 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -50.1 | -42 | -177.6 | -177.1 | -179.8 | -179.2 | 175.8 | 0 | 112.3 | I883 L889 I948 A949 L951 | I883-K885 PolarHBondContact O-N 2.91Å; K885-L889 HydrophobicContact CG-CD1 3.92Å; K885-L889 HydrophobicContact CG-CG 4.44Å; K885-L889 VanDerWaalsContact O-CB 3.31Å; K885-L889 WeakPolarHBondContact O-CB 3.3Å; K885-L889 VanDerWaalsContact O-CG 3.22Å; K885-L889 WeakPolarHBondContact O-CG 3.26Å; K885-L889 PolarHBondContact O-N 3.43Å; K885-I948 WeakPolarHBondContact CE-O 3.03Å; K885-I948 HydrophobicContact CG-CG2 4.35Å; K885-A949 WeakPolarHBondContact CE-O 3.41Å; K885-A949 PolarHBondContact NZ-O 3.1Å; K885-L951 WeakPolarHBondContact CD-OXT 3.48Å; K885-L951 VanDerWaalsContact CE-OXT 3.29Å; K885-L951 WeakPolarHBondContact CE-OXT 3.33Å; K885-L951 PolarHBondContact NZ-OXT 3.23Å |
| 886 | E | 76.9 | Confident | 80.5 | Confident | 155 Ų | 155 | 55.7 Ų | 55.7 | 72% | 0.724 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.8 | -46.7 | -178.8 | -65.9 | -176.5 | 175.3 | 0 | 0 | 111.7 | N884 E888 A890 | N884-E886 PolarHBondContact O-N 3.46Å; N884-E886 PolarHBondContact OD1-N 2.84Å; N884-E886 VanDerWaalsContact OD1-N 3.1Å; E886-E888 VanDerWaalsContact C-N 3.32Å; E886-E888 PolarHBondContact O-N 2.95Å; E886-A890 VanDerWaalsContact O-CB 3.27Å; E886-A890 WeakPolarHBondContact O-CB 3.41Å; E886-A890 PolarHBondContact O-N 3.36Å |
| 887 | D | 77.1 | Confident | 80.4 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.5 | -38.6 | 179.2 | -66.3 | -27 | 0 | 0 | 0 | 111.5 | N884 A890 R891 | N884-D887 HydrophobicContact CB-CB 3.99Å; N884-D887 WeakPolarHBondContact CB-OD2 3.26Å; N884-D887 VanDerWaalsContact CG-OD2 3.31Å; N884-D887 VanDerWaalsContact ND2-CG 3.26Å; N884-D887 PolarHBondContact ND2-OD2 2.56Å; N884-D887 PolarHBondContact O-N 3.01Å; N884-D887 VanDerWaalsContact O-N 3.15Å; D887-A890 PolarHBondContact O-N 3.43Å; D887-R891 WeakPolarHBondContact O-CB 3.41Å; D887-R891 PolarHBondContact O-N 2.7Å |
| 888 | E | 76.1 | Confident | 80.4 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.2 | -40.2 | -178.1 | -173.2 | 64.9 | -176.3 | 0 | 0 | 112.3 | I883 N884 E886 A890 R891 L892 I948 | I883-E888 HydrophobicContact CG2-CB 3.24Å; I883-E888 HydrophobicContact CG2-CG 3.56Å; N884-E888 WeakPolarHBondContact O-CB 3.33Å; N884-E888 PolarHBondContact O-N 3.4Å; E886-E888 VanDerWaalsContact C-N 3.32Å; E886-E888 PolarHBondContact O-N 2.95Å; E888-A890 VanDerWaalsContact C-N 3.26Å; E888-A890 PolarHBondContact O-N 3.33Å; E888-R891 PolarHBondContact O-N 3.31Å; E888-R891 IonicContact OE1-CZ 3.39Å; E888-R891 IonicContact OE1-NE 3.24Å; E888-R891 PolarHBondContact OE1-NE 2.88Å; E888-R891 IonicContact OE1-NH2 2.7Å; E888-R891 PolarHBondContact OE1-NH2 3.5Å; E888-R891 IonicContact OE2-CZ 3.82Å; E888-R891 IonicContact OE2-NE 2.88Å; E888-R891 PolarHBondContact OE2-NE 2.76Å; E888-R891 IonicContact OE2-NH2 3.87Å; E888-L892 HydrophobicContact CG-CD1 4.19Å; E888-L892 HydrophobicContact CG-CG 4.47Å; E888-L892 WeakPolarHBondContact O-CB 3.35Å; E888-L892 VanDerWaalsContact O-CG 3.31Å; E888-L892 WeakPolarHBondContact O-CG 3.36Å; E888-L892 PolarHBondContact O-N 2.85Å; E888-I948 HydrophobicContact CB-CG2 4.33Å; E888-I948 HydrophobicContact CG-CD1 4.37Å; E888-I948 HydrophobicContact CG-CG1 4.23Å; E888-I948 HydrophobicContact CG-CG2 4.21Å |
| 889 | L | 82.8 | Confident | 80.4 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 169.9 | -73.9 | 173.8 | 0 | 0 | 0 | 110.8 | K885 A893 I948 A949 | K885-L889 HydrophobicContact CG-CD1 3.92Å; K885-L889 HydrophobicContact CG-CG 4.44Å; K885-L889 VanDerWaalsContact O-CB 3.31Å; K885-L889 WeakPolarHBondContact O-CB 3.3Å; K885-L889 VanDerWaalsContact O-CG 3.22Å; K885-L889 WeakPolarHBondContact O-CG 3.26Å; K885-L889 PolarHBondContact O-N 3.43Å; L889-A893 WeakPolarHBondContact O-CB 3.37Å; L889-A893 PolarHBondContact O-N 3.38Å; L889-I948 HydrophobicContact CD2-CB 4.18Å; L889-I948 HydrophobicContact CD2-CG2 3.92Å; L889-I948 HydrophobicContact CG-CG2 3.89Å; L889-A949 HydrophobicContact CD2-CB 4.25Å |
| 890 | A | 82.6 | Confident | 81 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E886 D887 E888 A893 K894 | E886-A890 VanDerWaalsContact O-CB 3.27Å; E886-A890 WeakPolarHBondContact O-CB 3.41Å; E886-A890 PolarHBondContact O-N 3.36Å; D887-A890 PolarHBondContact O-N 3.43Å; E888-A890 VanDerWaalsContact C-N 3.26Å; E888-A890 PolarHBondContact O-N 3.33Å; A890-A893 PolarHBondContact O-N 3.24Å; A890-K894 WeakPolarHBondContact O-CB 3.34Å; A890-K894 PolarHBondContact O-N 2.95Å |
| 891 | R | 82.2 | Confident | 81.9 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 24% | 0.242 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -52.3 | 175.5 | -171.8 | -168.3 | 72.1 | 74.8 | 1.7 | 111.1 | D887 E888 A893 K894 E895 | D887-R891 WeakPolarHBondContact O-CB 3.41Å; D887-R891 PolarHBondContact O-N 2.7Å; E888-R891 PolarHBondContact O-N 3.31Å; E888-R891 IonicContact OE1-CZ 3.39Å; E888-R891 IonicContact OE1-NE 3.24Å; E888-R891 PolarHBondContact OE1-NE 2.88Å; E888-R891 IonicContact OE1-NH2 2.7Å; E888-R891 PolarHBondContact OE1-NH2 3.5Å; E888-R891 IonicContact OE2-CZ 3.82Å; E888-R891 IonicContact OE2-NE 2.88Å; E888-R891 PolarHBondContact OE2-NE 2.76Å; E888-R891 IonicContact OE2-NH2 3.87Å; R891-A893 VanDerWaalsContact C-N 3.31Å; R891-A893 PolarHBondContact O-N 3.07Å; R891-K894 WeakPolarHBondContact O-CB 3.38Å; R891-K894 PolarHBondContact O-N 3.08Å; R891-K894 VanDerWaalsContact O-N 3.13Å; R891-E895 IonicContact CZ-OE2 3.87Å; R891-E895 IonicContact NH1-OE1 3.35Å; R891-E895 PolarHBondContact NH1-OE1 2.7Å; R891-E895 IonicContact NH1-OE2 2.65Å; R891-E895 PolarHBondContact NH1-OE2 2.97Å; R891-E895 PolarHBondContact O-N 3.26Å |
| 892 | L | 84 | Confident | 82.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.9 | -69.9 | 170.9 | 0 | 0 | 0 | 111 | E888 K894 E895 V896 L941 Q944 Q945 I948 | E888-L892 HydrophobicContact CG-CD1 4.19Å; E888-L892 HydrophobicContact CG-CG 4.47Å; E888-L892 WeakPolarHBondContact O-CB 3.35Å; E888-L892 VanDerWaalsContact O-CG 3.31Å; E888-L892 WeakPolarHBondContact O-CG 3.36Å; E888-L892 PolarHBondContact O-N 2.85Å; L892-K894 VanDerWaalsContact C-N 3.3Å; L892-K894 PolarHBondContact O-N 2.75Å; L892-E895 PolarHBondContact O-N 3.12Å; L892-V896 WeakPolarHBondContact O-CB 3.46Å; L892-V896 VanDerWaalsContact O-CG2 3.31Å; L892-V896 WeakPolarHBondContact O-CG2 3.29Å; L892-V896 PolarHBondContact O-N 3.41Å; L892-L941 HydrophobicContact CD2-CD2 3.76Å; L892-Q944 HydrophobicContact CD1-CB 4.45Å; L892-Q944 HydrophobicContact CD1-CG 4.05Å; L892-Q944 HydrophobicContact CD2-CB 4.49Å; L892-Q944 HydrophobicContact CD2-CG 4.23Å; L892-Q945 HydrophobicContact CB-CG 3.5Å; L892-Q945 VanDerWaalsContact CB-CG 3.5Å; L892-Q945 HydrophobicContact CD1-CG 3.84Å; L892-Q945 HydrophobicContact CG-CG 4.27Å; L892-I948 HydrophobicContact CD1-CB 4.46Å; L892-I948 HydrophobicContact CD1-CG1 4.03Å |
| 893 | A | 86.7 | Confident | 83.9 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L889 A890 R891 A897 | L889-A893 WeakPolarHBondContact O-CB 3.37Å; L889-A893 PolarHBondContact O-N 3.38Å; A890-A893 PolarHBondContact O-N 3.24Å; R891-A893 VanDerWaalsContact C-N 3.31Å; R891-A893 PolarHBondContact O-N 3.07Å; A893-A897 VanDerWaalsContact O-CB 3.28Å; A893-A897 WeakPolarHBondContact O-CB 3.42Å; A893-A897 PolarHBondContact O-N 2.8Å |
| 894 | K | 87.6 | Confident | 85.2 | Confident | 167 Ų | 167 | 66.6 Ų | 66.6 | 73% | 0.726 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.8 | -38.1 | 174.7 | -170.4 | 179.3 | -179.5 | -179.5 | 0 | 112.2 | A890 R891 L892 K898 | A890-K894 WeakPolarHBondContact O-CB 3.34Å; A890-K894 PolarHBondContact O-N 2.95Å; R891-K894 WeakPolarHBondContact O-CB 3.38Å; R891-K894 PolarHBondContact O-N 3.08Å; R891-K894 VanDerWaalsContact O-N 3.13Å; L892-K894 VanDerWaalsContact C-N 3.3Å; L892-K894 PolarHBondContact O-N 2.75Å; K894-K898 WeakPolarHBondContact O-CB 3.38Å; K894-K898 PolarHBondContact O-N 3.28Å |
| 895 | E | 85.8 | Confident | 86.2 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.5 | -44 | 174.9 | -75 | -172.3 | 167.8 | 0 | 0 | 112.3 | R891 L892 A897 K898 I899 L941 | R891-E895 IonicContact CZ-OE2 3.87Å; R891-E895 IonicContact NH1-OE1 3.35Å; R891-E895 PolarHBondContact NH1-OE1 2.7Å; R891-E895 IonicContact NH1-OE2 2.65Å; R891-E895 PolarHBondContact NH1-OE2 2.97Å; R891-E895 PolarHBondContact O-N 3.26Å; L892-E895 PolarHBondContact O-N 3.12Å; E895-A897 VanDerWaalsContact C-N 3.35Å; E895-A897 PolarHBondContact O-N 2.76Å; E895-K898 WeakPolarHBondContact O-CB 3.25Å; E895-K898 PolarHBondContact O-N 2.88Å; E895-K898 VanDerWaalsContact O-N 3.15Å; E895-I899 WeakPolarHBondContact O-CG1 3.34Å; E895-I899 PolarHBondContact O-N 2.93Å; E895-L941 HydrophobicContact CB-CD1 3.79Å |
| 896 | V | 90.3 | Very high | 87.1 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 110 | L892 K898 I899 E900 L941 I942 | L892-V896 WeakPolarHBondContact O-CB 3.46Å; L892-V896 VanDerWaalsContact O-CG2 3.31Å; L892-V896 WeakPolarHBondContact O-CG2 3.29Å; L892-V896 PolarHBondContact O-N 3.41Å; V896-K898 VanDerWaalsContact C-N 3.27Å; V896-K898 PolarHBondContact O-N 2.71Å; V896-I899 PolarHBondContact O-N 3.36Å; V896-I899 VanDerWaalsContact O-N 3.16Å; V896-E900 HydrophobicContact CG1-CG 4.26Å; V896-E900 WeakPolarHBondContact O-CB 3.2Å; V896-E900 VanDerWaalsContact O-CG 3.32Å; V896-E900 WeakPolarHBondContact O-CG 3.42Å; V896-E900 PolarHBondContact O-N 3.13Å; V896-L941 HydrophobicContact CG2-CB 3.66Å; V896-L941 HydrophobicContact CG2-CD1 4.11Å; V896-I942 HydrophobicContact CG2-CG1 4.35Å |
| 897 | A | 90.9 | Very high | 87.8 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -35.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A893 E895 G901 | A893-A897 VanDerWaalsContact O-CB 3.28Å; A893-A897 WeakPolarHBondContact O-CB 3.42Å; A893-A897 PolarHBondContact O-N 2.8Å; E895-A897 VanDerWaalsContact C-N 3.35Å; E895-A897 PolarHBondContact O-N 2.76Å; A897-G901 PolarHBondContact O-N 3.44Å |
| 898 | K | 91 | Very high | 88.4 | Confident | 151 Ų | 151 | 64.4 Ų | 64.4 | 66% | 0.657 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.3 | -47.3 | 174.7 | -175.9 | -174.8 | 175.8 | -172.1 | 0 | 111.3 | K894 E895 V896 E900 G901 E902 | K894-K898 WeakPolarHBondContact O-CB 3.38Å; K894-K898 PolarHBondContact O-N 3.28Å; E895-K898 WeakPolarHBondContact O-CB 3.25Å; E895-K898 PolarHBondContact O-N 2.88Å; E895-K898 VanDerWaalsContact O-N 3.15Å; V896-K898 VanDerWaalsContact C-N 3.27Å; V896-K898 PolarHBondContact O-N 2.71Å; K898-E900 VanDerWaalsContact C-N 3.35Å; K898-G901 PolarHBondContact O-N 3.1Å; K898-E902 PolarHBondContact O-N 3.2Å; K898-E902 VanDerWaalsContact O-N 3.17Å |
| 899 | I | 90.7 | Very high | 89 | Confident | 25 Ų | 25 | 67.3 Ų | 67.3 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 178 | -66 | -174 | 0 | 0 | 0 | 110.6 | E895 V896 G901 E902 I903 Y934 A937 K938 L941 | E895-I899 WeakPolarHBondContact O-CG1 3.34Å; E895-I899 PolarHBondContact O-N 2.93Å; V896-I899 PolarHBondContact O-N 3.36Å; V896-I899 VanDerWaalsContact O-N 3.16Å; I899-G901 VanDerWaalsContact C-N 3.29Å; I899-G901 PolarHBondContact O-N 3.05Å; I899-E902 PolarHBondContact O-N 3.25Å; I899-E902 VanDerWaalsContact O-N 3.12Å; I899-I903 HydrophobicContact CG2-CD1 3.81Å; I899-I903 HydrophobicContact CG2-CG1 4.19Å; I899-I903 WeakPolarHBondContact O-CG1 3.26Å; I899-I903 PolarHBondContact O-N 2.77Å; I899-Y934 HydrophobicContact CG2-CD1 4.08Å; I899-Y934 HydrophobicContact CG2-CG 4.37Å; I899-Y934 WeakPolarHBondContact CG2-O 3.29Å; I899-A937 HydrophobicContact CD1-CB 3.8Å; I899-K938 HydrophobicContact CG2-CB 3.96Å; I899-L941 HydrophobicContact CD1-CD1 3.54Å; I899-L941 HydrophobicContact CG1-CD1 4.44Å |
| 900 | E | 92.6 | Very high | 89.3 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 173.8 | -75.2 | -179.4 | 153.6 | 0 | 0 | 112.6 | V896 K898 I903 S904 K938 | V896-E900 HydrophobicContact CG1-CG 4.26Å; V896-E900 WeakPolarHBondContact O-CB 3.2Å; V896-E900 VanDerWaalsContact O-CG 3.32Å; V896-E900 WeakPolarHBondContact O-CG 3.42Å; V896-E900 PolarHBondContact O-N 3.13Å; K898-E900 VanDerWaalsContact C-N 3.35Å; E900-I903 PolarHBondContact O-N 3.36Å; E900-S904 WeakPolarHBondContact O-CB 3.17Å; E900-S904 PolarHBondContact O-N 3.18Å; E900-K938 HydrophobicContact CG-CD 4.05Å; E900-K938 WeakPolarHBondContact OE1-CE 3.35Å; E900-K938 IonicContact OE1-NZ 2.66Å; E900-K938 PolarHBondContact OE1-NZ 3.46Å |
| 901 | G | 92.4 | Very high | 89.5 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A897 K898 I899 R905 | A897-G901 PolarHBondContact O-N 3.44Å; K898-G901 PolarHBondContact O-N 3.1Å; I899-G901 VanDerWaalsContact C-N 3.29Å; I899-G901 PolarHBondContact O-N 3.05Å; G901-R905 WeakPolarHBondContact O-CG 3.27Å; G901-R905 PolarHBondContact O-N 3.22Å; G901-R905 VanDerWaalsContact O-N 3.07Å |
| 902 | E | 91.5 | Very high | 89.9 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 26% | 0.257 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72 | -42.5 | 176.1 | -65.5 | -57.1 | 155.5 | 0 | 0 | 112.3 | K898 I899 S904 R905 I906 Y934 | K898-E902 PolarHBondContact O-N 3.2Å; K898-E902 VanDerWaalsContact O-N 3.17Å; I899-E902 PolarHBondContact O-N 3.25Å; I899-E902 VanDerWaalsContact O-N 3.12Å; E902-S904 VanDerWaalsContact C-N 3.34Å; E902-S904 PolarHBondContact O-N 3.35Å; E902-R905 PolarHBondContact O-N 3.03Å; E902-R905 IonicContact OE1-NH1 2.85Å; E902-R905 PolarHBondContact OE1-NH1 3.2Å; E902-R905 IonicContact OE2-NH1 2.88Å; E902-I906 WeakPolarHBondContact O-CG1 2.88Å; E902-I906 PolarHBondContact O-N 3.3Å; E902-Y934 HydrophobicContact CB-CD2 4.35Å; E902-Y934 HydrophobicContact CB-CE1 4.47Å; E902-Y934 HydrophobicContact CB-CE2 4.12Å |
| 903 | I | 92.6 | Very high | 89.8 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -54.6 | -52.3 | 172.4 | -72.9 | 173.7 | 0 | 0 | 0 | 109.4 | I899 E900 R905 I906 E907 L931 K938 | I899-I903 HydrophobicContact CG2-CD1 3.81Å; I899-I903 HydrophobicContact CG2-CG1 4.19Å; I899-I903 WeakPolarHBondContact O-CG1 3.26Å; I899-I903 PolarHBondContact O-N 2.77Å; E900-I903 PolarHBondContact O-N 3.36Å; I903-R905 VanDerWaalsContact C-N 3.31Å; I903-R905 PolarHBondContact O-N 3.29Å; I903-I906 PolarHBondContact O-N 2.96Å; I903-I906 VanDerWaalsContact O-N 3.12Å; I903-E907 HydrophobicContact CG2-CG 4.15Å; I903-E907 WeakPolarHBondContact O-CB 3.45Å; I903-E907 VanDerWaalsContact O-CG 3.32Å; I903-E907 WeakPolarHBondContact O-CG 3.33Å; I903-E907 PolarHBondContact O-N 3.15Å; I903-L931 HydrophobicContact CB-CD1 4.3Å; I903-L931 HydrophobicContact CG1-CD1 4.31Å; I903-L931 HydrophobicContact CG2-CD1 3.89Å; I903-K938 HydrophobicContact CD1-CB 4.38Å; I903-K938 HydrophobicContact CD1-CD 4.01Å |
| 904 | S | 92.3 | Very high | 89.6 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.1 | -36.7 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | E900 E902 N908 | E900-S904 WeakPolarHBondContact O-CB 3.17Å; E900-S904 PolarHBondContact O-N 3.18Å; E902-S904 VanDerWaalsContact C-N 3.34Å; E902-S904 PolarHBondContact O-N 3.35Å; S904-N908 VanDerWaalsContact O-CB 3.27Å; S904-N908 WeakPolarHBondContact O-CB 3.42Å; S904-N908 PolarHBondContact O-N 2.96Å; S904-N908 PolarHBondContact O-ND2 2.65Å; S904-N908 PolarHBondContact OG-ND2 3.42Å |
| 905 | R | 91.6 | Very high | 89.5 | Confident | 165 Ų | 165 | 70.6 Ų | 70.6 | 62% | 0.623 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 173.7 | -81.1 | 177.1 | -178.6 | 161.1 | 1.3 | 112.1 | G901 E902 I903 K909 | G901-R905 WeakPolarHBondContact O-CG 3.27Å; G901-R905 PolarHBondContact O-N 3.22Å; G901-R905 VanDerWaalsContact O-N 3.07Å; E902-R905 PolarHBondContact O-N 3.03Å; E902-R905 IonicContact OE1-NH1 2.85Å; E902-R905 PolarHBondContact OE1-NH1 3.2Å; E902-R905 IonicContact OE2-NH1 2.88Å; I903-R905 VanDerWaalsContact C-N 3.31Å; I903-R905 PolarHBondContact O-N 3.29Å; R905-K909 VanDerWaalsContact O-CB 3.31Å; R905-K909 WeakPolarHBondContact O-CB 3.37Å; R905-K909 PolarHBondContact O-N 2.95Å |
| 906 | I | 90.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.5 | -43.7 | -179.8 | -66 | 166.6 | 0 | 0 | 0 | 110.2 | E902 I903 N908 K909 L910 E927 K930 L931 Y934 | E902-I906 WeakPolarHBondContact O-CG1 2.88Å; E902-I906 PolarHBondContact O-N 3.3Å; I903-I906 PolarHBondContact O-N 2.96Å; I903-I906 VanDerWaalsContact O-N 3.12Å; I906-N908 PolarHBondContact O-N 3.47Å; I906-K909 WeakPolarHBondContact O-CB 3.42Å; I906-K909 PolarHBondContact O-N 3.46Å; I906-L910 HydrophobicContact CG2-CD1 3.76Å; I906-L910 HydrophobicContact CG2-CG 4.23Å; I906-L910 WeakPolarHBondContact O-CB 3.29Å; I906-L910 VanDerWaalsContact O-CG 3.32Å; I906-L910 WeakPolarHBondContact O-CG 3.34Å; I906-L910 PolarHBondContact O-N 2.82Å; I906-E927 HydrophobicContact CG2-CB 4.27Å; I906-E927 WeakPolarHBondContact CG2-O 3.25Å; I906-K930 HydrophobicContact CD1-CB 4.01Å; I906-L931 HydrophobicContact CB-CD1 4.31Å; I906-L931 HydrophobicContact CG2-CB 3.99Å; I906-L931 HydrophobicContact CG2-CD1 4.17Å; I906-Y934 HydrophobicContact CD1-CD2 3.66Å; I906-Y934 HydrophobicContact CD1-CE2 3.7Å |
| 907 | E | 92.3 | Very high | 88.8 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 46% | 0.458 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 175.2 | -73.9 | 176.6 | 158 | 0 | 0 | 111.6 | I903 K909 L910 A911 L931 | I903-E907 HydrophobicContact CG2-CG 4.15Å; I903-E907 WeakPolarHBondContact O-CB 3.45Å; I903-E907 VanDerWaalsContact O-CG 3.32Å; I903-E907 WeakPolarHBondContact O-CG 3.33Å; I903-E907 PolarHBondContact O-N 3.15Å; E907-K909 VanDerWaalsContact C-N 3.29Å; E907-K909 PolarHBondContact O-N 2.95Å; E907-L910 CarbonylContact O-C 3.54Å; E907-L910 PolarHBondContact O-N 3.31Å; E907-A911 VanDerWaalsContact O-CB 3.24Å; E907-A911 WeakPolarHBondContact O-CB 3.27Å; E907-A911 PolarHBondContact O-N 3.48Å; E907-L931 HydrophobicContact CG-CD1 3.91Å; E907-L931 HydrophobicContact CG-CD2 4.36Å |
| 908 | N | 91.1 | Very high | 88.5 | Confident | 107 Ų | 107 | 81.7 Ų | 81.7 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.7 | -36.9 | 176.3 | -76.2 | -44.2 | 0 | 0 | 0 | 112.2 | S904 I906 N912 | S904-N908 VanDerWaalsContact O-CB 3.27Å; S904-N908 WeakPolarHBondContact O-CB 3.42Å; S904-N908 PolarHBondContact O-N 2.96Å; S904-N908 PolarHBondContact O-ND2 2.65Å; S904-N908 PolarHBondContact OG-ND2 3.42Å; I906-N908 PolarHBondContact O-N 3.47Å; N908-N912 PolarHBondContact O-N 2.89Å |
| 909 | K | 87.1 | Confident | 88 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.9 | -169.2 | 179.5 | -178.3 | -175.1 | 0 | 111.1 | R905 I906 E907 F915 E927 | R905-K909 VanDerWaalsContact O-CB 3.31Å; R905-K909 WeakPolarHBondContact O-CB 3.37Å; R905-K909 PolarHBondContact O-N 2.95Å; I906-K909 WeakPolarHBondContact O-CB 3.42Å; I906-K909 PolarHBondContact O-N 3.46Å; E907-K909 VanDerWaalsContact C-N 3.29Å; E907-K909 PolarHBondContact O-N 2.95Å; K909-F915 HydrophobicContact CD-CE1 4.33Å; K909-F915 HydrophobicContact CD-CE2 4.41Å; K909-F915 HydrophobicContact CD-CZ 4.14Å; K909-F915 VanDerWaalsContact CE-CE2 3.42Å; K909-F915 HydrophobicContact CG-CD1 3.87Å; K909-F915 HydrophobicContact CG-CD2 4.27Å; K909-F915 HydrophobicContact CG-CE1 3.83Å; K909-F915 HydrophobicContact CG-CE2 4.24Å; K909-F915 HydrophobicContact CG-CG 4.1Å; K909-F915 HydrophobicContact CG-CZ 4.03Å; K909-F915 WeakPolarHBondContact O-CD1 3.32Å; K909-E927 IonicContact NZ-OE1 2.93Å; K909-E927 PolarHBondContact NZ-OE1 3.45Å |
| 910 | L | 88.9 | Confident | 87.6 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 19% | 0.194 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -76.5 | -23.8 | 177.7 | -68.6 | 174.5 | 0 | 0 | 0 | 113.4 | I906 E907 F915 V916 I924 E927 R928 L931 | I906-L910 HydrophobicContact CG2-CD1 3.76Å; I906-L910 HydrophobicContact CG2-CG 4.23Å; I906-L910 WeakPolarHBondContact O-CB 3.29Å; I906-L910 VanDerWaalsContact O-CG 3.32Å; I906-L910 WeakPolarHBondContact O-CG 3.34Å; I906-L910 PolarHBondContact O-N 2.82Å; E907-L910 CarbonylContact O-C 3.54Å; E907-L910 PolarHBondContact O-N 3.31Å; L910-F915 HydrophobicContact CD2-CE1 4.49Å; L910-V916 WeakPolarHBondContact O-CG2 3.46Å; L910-I924 HydrophobicContact CD2-CG2 4.13Å; L910-E927 HydrophobicContact CD2-CB 4.24Å; L910-R928 HydrophobicContact CD1-CG 4.19Å; L910-L931 HydrophobicContact CD1-CD2 4.18Å |
| 911 | A | 88.4 | Confident | 87.1 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 62% | 0.62 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -81.7 | -18.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E907 E913 | E907-A911 VanDerWaalsContact O-CB 3.24Å; E907-A911 WeakPolarHBondContact O-CB 3.27Å; E907-A911 PolarHBondContact O-N 3.48Å; A911-E913 PolarHBondContact O-N 2.66Å; A911-E913 VanDerWaalsContact O-N 3.08Å |
| 912 | N | 88.7 | Confident | 86.6 | Confident | 93 Ų | 93 | 84.3 Ų | 84.3 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | trans | -72.2 | 102.4 | 175 | -174.4 | -28.5 | 0 | 0 | 0 | 110.1 | N908 G914 F915 V916 | N908-N912 PolarHBondContact O-N 2.89Å; N912-G914 PolarHBondContact O-N 2.63Å; N912-G914 VanDerWaalsContact O-N 3.1Å; N912-G914 WeakPolarHBondContact OD1-CA 3.48Å; N912-G914 PolarHBondContact OD1-N 2.88Å; N912-F915 HydrophobicContact CB-CB 4.11Å; N912-F915 WeakPolarHBondContact O-CB 3.48Å; N912-F915 PolarHBondContact O-N 2.88Å; N912-F915 PolarHBondContact OD1-N 3.42Å; N912-V916 PolarHBondContact O-N 2.96Å; N912-V916 VanDerWaalsContact O-N 3.11Å | ||
| 913 | E | 82.3 | Confident | 86.3 | Confident | 169 Ų | 169 | 84.5 Ų | 84.5 | 79% | 0.79 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -51.6 | -35.8 | 178 | -66.5 | -175.2 | 168.4 | 0 | 0 | 112.5 | A911 F915 V916 A917 | A911-E913 PolarHBondContact O-N 2.66Å; A911-E913 VanDerWaalsContact O-N 3.08Å; E913-F915 PolarHBondContact O-N 3.01Å; E913-V916 PolarHBondContact O-N 2.98Å; E913-A917 WeakPolarHBondContact O-CB 3.23Å; E913-A917 PolarHBondContact O-N 3.32Å |
| 914 | G | 83 | Confident | 85.9 | Confident | 36 Ų | 36 | 84.8 Ų | 84.8 | 37% | 0.371 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.9 | -30.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N912 R918 | N912-G914 PolarHBondContact O-N 2.63Å; N912-G914 VanDerWaalsContact O-N 3.1Å; N912-G914 WeakPolarHBondContact OD1-CA 3.48Å; N912-G914 PolarHBondContact OD1-N 2.88Å; G914-R918 WeakPolarHBondContact O-CB 3.49Å; G914-R918 WeakPolarHBondContact O-CG 3.48Å |
| 915 | F | 85.1 | Confident | 85.6 | Confident | 47 Ų | 47 | 85 Ų | 85 | 21% | 0.206 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -75.1 | -47.8 | 173.2 | 172.2 | -99.7 | 0 | 0 | 0 | 110.7 | K909 L910 N912 E913 A917 R918 A919 V923 | K909-F915 HydrophobicContact CD-CE1 4.33Å; K909-F915 HydrophobicContact CD-CE2 4.41Å; K909-F915 HydrophobicContact CD-CZ 4.14Å; K909-F915 VanDerWaalsContact CE-CE2 3.42Å; K909-F915 HydrophobicContact CG-CD1 3.87Å; K909-F915 HydrophobicContact CG-CD2 4.27Å; K909-F915 HydrophobicContact CG-CE1 3.83Å; K909-F915 HydrophobicContact CG-CE2 4.24Å; K909-F915 HydrophobicContact CG-CG 4.1Å; K909-F915 HydrophobicContact CG-CZ 4.03Å; K909-F915 WeakPolarHBondContact O-CD1 3.32Å; L910-F915 HydrophobicContact CD2-CE1 4.49Å; N912-F915 HydrophobicContact CB-CB 4.11Å; N912-F915 WeakPolarHBondContact O-CB 3.48Å; N912-F915 PolarHBondContact O-N 2.88Å; N912-F915 PolarHBondContact OD1-N 3.42Å; E913-F915 PolarHBondContact O-N 3.01Å; F915-A917 VanDerWaalsContact C-N 3.29Å; F915-A917 PolarHBondContact O-N 2.9Å; F915-R918 PolarHBondContact O-N 3.32Å; F915-R918 VanDerWaalsContact O-N 3.15Å; F915-A919 HydrophobicContact CD2-CB 4.28Å; F915-A919 HydrophobicContact CE1-CB 4.21Å; F915-A919 HydrophobicContact CE2-CB 3.85Å; F915-A919 HydrophobicContact CZ-CB 3.81Å; F915-A919 VanDerWaalsContact O-CB 3.28Å; F915-A919 WeakPolarHBondContact O-CB 3.12Å; F915-A919 PolarHBondContact O-N 2.88Å; F915-V923 HydrophobicContact CZ-CG1 4.38Å |
| 916 | V | 81.7 | Confident | 85.4 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 37% | 0.37 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | -179.5 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | L910 N912 E913 R918 I924 | L910-V916 WeakPolarHBondContact O-CG2 3.46Å; N912-V916 PolarHBondContact O-N 2.96Å; N912-V916 VanDerWaalsContact O-N 3.11Å; E913-V916 PolarHBondContact O-N 2.98Å; V916-R918 VanDerWaalsContact C-N 3.31Å; V916-R918 PolarHBondContact O-N 2.97Å; V916-I924 HydrophobicContact CG1-CD1 4.3Å |
| 917 | A | 80.4 | Confident | 85.4 | Confident | 89 Ų | 89 | 83.7 Ų | 83.7 | 74% | 0.736 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E913 F915 | E913-A917 WeakPolarHBondContact O-CB 3.23Å; E913-A917 PolarHBondContact O-N 3.32Å; F915-A917 VanDerWaalsContact C-N 3.29Å; F915-A917 PolarHBondContact O-N 2.9Å |
| 918 | R | 83.6 | Confident | 85.3 | Confident | 227 Ų | 227 | 86.9 Ų | 86.9 | 86% | 0.857 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -21.9 | -173.3 | -67.8 | -178.1 | -178.9 | -179 | 2.1 | 114.6 | G914 F915 V916 | G914-R918 WeakPolarHBondContact O-CB 3.49Å; G914-R918 WeakPolarHBondContact O-CG 3.48Å; F915-R918 PolarHBondContact O-N 3.32Å; F915-R918 VanDerWaalsContact O-N 3.15Å; V916-R918 VanDerWaalsContact C-N 3.31Å; V916-R918 PolarHBondContact O-N 2.97Å |
| 919 | A | 81.7 | Confident | 85.2 | Confident | 20 Ų | 20 | 88.1 Ų | 88.1 | 17% | 0.165 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -80.1 | 142.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F915 I924 | F915-A919 HydrophobicContact CD2-CB 4.28Å; F915-A919 HydrophobicContact CE1-CB 4.21Å; F915-A919 HydrophobicContact CE2-CB 3.85Å; F915-A919 HydrophobicContact CZ-CB 3.81Å; F915-A919 VanDerWaalsContact O-CB 3.28Å; F915-A919 WeakPolarHBondContact O-CB 3.12Å; F915-A919 PolarHBondContact O-N 2.88Å; A919-I924 HydrophobicContact CB-CD1 4.36Å; A919-I924 HydrophobicContact CB-CG1 4.08Å |
| 920 | P | 81.1 | Confident | 85.3 | Confident | 86 Ų | 86 | 88.4 Ų | 88.4 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | trans | -60.4 | 145.7 | 171.4 | -21.5 | 32.1 | 0 | 0 | 0 | 112.3 | A922 V923 I924 | P920-A922 VanDerWaalsContact C-N 3.3Å; P920-A922 PolarHBondContact O-N 2.85Å; P920-V923 HydrophobicContact CB-CG2 4.23Å; P920-V923 HydrophobicContact CG-CG2 4.26Å; P920-V923 WeakPolarHBondContact O-CA 3.13Å; P920-V923 WeakPolarHBondContact O-CB 3.39Å; P920-V923 PolarHBondContact O-N 3.13Å; P920-I924 PolarHBondContact O-N 2.88Å | ||
| 921 | E | 83.2 | Confident | 85.4 | Confident | 168 Ų | 168 | 88.6 Ų | 88.6 | 79% | 0.785 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -56.2 | -40.3 | -176.2 | -169.2 | 174.4 | -168.3 | 0 | 0 | 113.2 | V923 I924 A925 | E921-V923 PolarHBondContact O-N 2.74Å; E921-I924 PolarHBondContact O-N 2.73Å; E921-I924 VanDerWaalsContact O-N 3.11Å; E921-A925 WeakPolarHBondContact O-CB 3.31Å; E921-A925 PolarHBondContact O-N 3.48Å |
| 922 | A | 80.9 | Confident | 85.5 | Confident | 77 Ų | 77 | 91.1 Ų | 91.1 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.7 | -31.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | P920 K926 | P920-A922 VanDerWaalsContact C-N 3.3Å; P920-A922 PolarHBondContact O-N 2.85Å; A922-K926 WeakPolarHBondContact O-CB 3.33Å; A922-K926 PolarHBondContact O-N 3.02Å; A922-K926 VanDerWaalsContact O-N 3.09Å |
| 923 | V | 84.8 | Confident | 85.3 | Confident | 59 Ų | 59 | 88.5 Ų | 88.5 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.2 | -41.5 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 110 | F915 P920 E921 K926 E927 | F915-V923 HydrophobicContact CZ-CG1 4.38Å; P920-V923 HydrophobicContact CB-CG2 4.23Å; P920-V923 HydrophobicContact CG-CG2 4.26Å; P920-V923 WeakPolarHBondContact O-CA 3.13Å; P920-V923 WeakPolarHBondContact O-CB 3.39Å; P920-V923 PolarHBondContact O-N 3.13Å; E921-V923 PolarHBondContact O-N 2.74Å; V923-K926 PolarHBondContact O-N 2.78Å; V923-E927 WeakPolarHBondContact O-CG 3.47Å; V923-E927 PolarHBondContact O-N 3.02Å |
| 924 | I | 84.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 84.4 Ų | 84.4 | 13% | 0.128 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.9 | -60.8 | 172.6 | 0 | 0 | 0 | 110.4 | L910 V916 A919 P920 E921 K926 E927 R928 | L910-I924 HydrophobicContact CD2-CG2 4.13Å; V916-I924 HydrophobicContact CG1-CD1 4.3Å; A919-I924 HydrophobicContact CB-CD1 4.36Å; A919-I924 HydrophobicContact CB-CG1 4.08Å; P920-I924 PolarHBondContact O-N 2.88Å; E921-I924 PolarHBondContact O-N 2.73Å; E921-I924 VanDerWaalsContact O-N 3.11Å; I924-K926 VanDerWaalsContact C-N 3.34Å; I924-K926 PolarHBondContact O-N 3.16Å; I924-E927 PolarHBondContact O-N 2.57Å; I924-R928 PolarHBondContact O-N 2.72Å |
| 925 | A | 86 | Confident | 86 | Confident | 55 Ų | 55 | 85.1 Ų | 85.1 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E921 E927 R928 E929 | E921-A925 WeakPolarHBondContact O-CB 3.31Å; E921-A925 PolarHBondContact O-N 3.48Å; A925-E927 VanDerWaalsContact C-N 3.34Å; A925-E927 PolarHBondContact O-N 2.93Å; A925-R928 PolarHBondContact O-N 2.79Å; A925-R928 VanDerWaalsContact O-N 3.17Å; A925-E929 WeakPolarHBondContact O-CB 3.49Å; A925-E929 PolarHBondContact O-N 2.96Å |
| 926 | K | 88 | Confident | 86 | Confident | 131 Ų | 131 | 88.1 Ų | 88.1 | 57% | 0.57 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.9 | -36.5 | 176.9 | -169.6 | 173.7 | -173.4 | 171.4 | 0 | 113.2 | A922 V923 I924 K930 | A922-K926 WeakPolarHBondContact O-CB 3.33Å; A922-K926 PolarHBondContact O-N 3.02Å; A922-K926 VanDerWaalsContact O-N 3.09Å; V923-K926 PolarHBondContact O-N 2.78Å; I924-K926 VanDerWaalsContact C-N 3.34Å; I924-K926 PolarHBondContact O-N 3.16Å; K926-K930 VanDerWaalsContact O-CG 3.31Å; K926-K930 WeakPolarHBondContact O-CG 3.46Å; K926-K930 PolarHBondContact O-N 2.72Å; K926-K930 VanDerWaalsContact O-N 3.1Å |
| 927 | E | 89.5 | Confident | 86 | Confident | 19 Ų | 19 | 87 Ų | 87 | 9% | 0.089 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -72.3 | -33.7 | 175 | -62.6 | -64 | -174.2 | 0 | 0 | 112 | I906 K909 L910 V923 I924 A925 K930 L931 | I906-E927 HydrophobicContact CG2-CB 4.27Å; I906-E927 WeakPolarHBondContact CG2-O 3.25Å; K909-E927 IonicContact NZ-OE1 2.93Å; K909-E927 PolarHBondContact NZ-OE1 3.45Å; L910-E927 HydrophobicContact CD2-CB 4.24Å; V923-E927 WeakPolarHBondContact O-CG 3.47Å; V923-E927 PolarHBondContact O-N 3.02Å; I924-E927 PolarHBondContact O-N 2.57Å; A925-E927 VanDerWaalsContact C-N 3.34Å; A925-E927 PolarHBondContact O-N 2.93Å; E927-K930 IonicContact OE1-NZ 2.74Å; E927-K930 WeakPolarHBondContact OE2-CD 3.32Å; E927-K930 IonicContact OE2-NZ 3.43Å; E927-K930 PolarHBondContact OE2-NZ 3.13Å; E927-K930 VanDerWaalsContact OE2-NZ 3.14Å; E927-L931 WeakPolarHBondContact O-CB 3.31Å; E927-L931 PolarHBondContact O-N 2.84Å |
| 928 | R | 90.1 | Very high | 86.4 | Confident | 164 Ų | 164 | 85.2 Ų | 85.2 | 62% | 0.619 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.1 | -43.1 | 172.5 | -73.8 | -178.8 | 177.2 | 178.7 | 0.1 | 112.4 | L910 I924 A925 K930 L931 E932 | L910-R928 HydrophobicContact CD1-CG 4.19Å; I924-R928 PolarHBondContact O-N 2.72Å; A925-R928 PolarHBondContact O-N 2.79Å; A925-R928 VanDerWaalsContact O-N 3.17Å; R928-K930 VanDerWaalsContact C-N 3.32Å; R928-K930 PolarHBondContact O-N 3.31Å; R928-L931 WeakPolarHBondContact O-CB 3.49Å; R928-L931 PolarHBondContact O-N 2.95Å; R928-L931 VanDerWaalsContact O-N 3.11Å; R928-E932 PolarHBondContact O-N 3.24Å |
| 929 | E | 88.8 | Confident | 86.4 | Confident | 134 Ų | 134 | 77.2 Ų | 77.2 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 175.2 | -175.3 | -174 | -172.3 | 0 | 0 | 111.1 | A925 L931 E932 G933 | A925-E929 WeakPolarHBondContact O-CB 3.49Å; A925-E929 PolarHBondContact O-N 2.96Å; E929-L931 PolarHBondContact O-N 2.92Å; E929-E932 PolarHBondContact O-N 3.18Å; E929-G933 PolarHBondContact O-N 2.83Å |
| 930 | K | 89.8 | Confident | 86.4 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 37% | 0.37 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 172 | -74.9 | 174.3 | -174.1 | 173.9 | 0 | 112.4 | I906 K926 E927 R928 E932 G933 Y934 | I906-K930 HydrophobicContact CD1-CB 4.01Å; K926-K930 VanDerWaalsContact O-CG 3.31Å; K926-K930 WeakPolarHBondContact O-CG 3.46Å; K926-K930 PolarHBondContact O-N 2.72Å; K926-K930 VanDerWaalsContact O-N 3.1Å; E927-K930 IonicContact OE1-NZ 2.74Å; E927-K930 WeakPolarHBondContact OE2-CD 3.32Å; E927-K930 IonicContact OE2-NZ 3.43Å; E927-K930 PolarHBondContact OE2-NZ 3.13Å; E927-K930 VanDerWaalsContact OE2-NZ 3.14Å; R928-K930 VanDerWaalsContact C-N 3.32Å; R928-K930 PolarHBondContact O-N 3.31Å; K930-E932 VanDerWaalsContact C-N 3.31Å; K930-E932 PolarHBondContact O-N 2.84Å; K930-G933 PolarHBondContact O-N 2.76Å; K930-Y934 HydrophobicContact CB-CD2 4.36Å; K930-Y934 HydrophobicContact CB-CE2 4.28Å; K930-Y934 WeakPolarHBondContact O-CB 3.5Å; K930-Y934 WeakPolarHBondContact O-CD2 3.18Å; K930-Y934 PolarHBondContact O-N 3.37Å |
| 931 | L | 91.6 | Very high | 86.4 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 178.7 | -175.4 | 66.3 | 0 | 0 | 0 | 110.8 | I903 I906 E907 L910 E927 R928 E929 Y934 A935 | I903-L931 HydrophobicContact CB-CD1 4.3Å; I903-L931 HydrophobicContact CG1-CD1 4.31Å; I903-L931 HydrophobicContact CG2-CD1 3.89Å; I906-L931 HydrophobicContact CB-CD1 4.31Å; I906-L931 HydrophobicContact CG2-CB 3.99Å; I906-L931 HydrophobicContact CG2-CD1 4.17Å; E907-L931 HydrophobicContact CG-CD1 3.91Å; E907-L931 HydrophobicContact CG-CD2 4.36Å; L910-L931 HydrophobicContact CD1-CD2 4.18Å; E927-L931 WeakPolarHBondContact O-CB 3.31Å; E927-L931 PolarHBondContact O-N 2.84Å; R928-L931 WeakPolarHBondContact O-CB 3.49Å; R928-L931 PolarHBondContact O-N 2.95Å; R928-L931 VanDerWaalsContact O-N 3.11Å; E929-L931 PolarHBondContact O-N 2.92Å; L931-Y934 PolarHBondContact O-N 3.43Å; L931-A935 WeakPolarHBondContact O-CB 3.15Å; L931-A935 PolarHBondContact O-N 2.86Å |
| 932 | E | 89.3 | Confident | 86.5 | Confident | 129 Ų | 129 | 75.2 Ų | 75.2 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.8 | -48 | 175.6 | -171.9 | 169.8 | -158.2 | 0 | 0 | 111.5 | R928 E929 K930 Y934 A935 E936 | R928-E932 PolarHBondContact O-N 3.24Å; E929-E932 PolarHBondContact O-N 3.18Å; K930-E932 VanDerWaalsContact C-N 3.31Å; K930-E932 PolarHBondContact O-N 2.84Å; E932-Y934 VanDerWaalsContact C-N 3.33Å; E932-Y934 PolarHBondContact O-N 3.32Å; E932-A935 WeakPolarHBondContact O-CB 3.31Å; E932-A935 PolarHBondContact O-N 3.25Å; E932-A935 VanDerWaalsContact O-N 3.08Å; E932-E936 PolarHBondContact O-N 2.85Å |
| 933 | G | 85.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 38% | 0.381 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E929 K930 A937 | E929-G933 PolarHBondContact O-N 2.83Å; K930-G933 PolarHBondContact O-N 2.76Å; G933-A937 WeakPolarHBondContact O-CB 3.2Å; G933-A937 PolarHBondContact O-N 3.21Å |
| 934 | Y | 91.2 | Very high | 85.9 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 33% | 0.329 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 173.3 | -76.3 | -53.2 | 0 | 0 | 0 | 112.4 | I899 E902 I906 K930 L931 E932 A937 K938 | I899-Y934 HydrophobicContact CG2-CD1 4.08Å; I899-Y934 HydrophobicContact CG2-CG 4.37Å; I899-Y934 WeakPolarHBondContact CG2-O 3.29Å; E902-Y934 HydrophobicContact CB-CD2 4.35Å; E902-Y934 HydrophobicContact CB-CE1 4.47Å; E902-Y934 HydrophobicContact CB-CE2 4.12Å; I906-Y934 HydrophobicContact CD1-CD2 3.66Å; I906-Y934 HydrophobicContact CD1-CE2 3.7Å; K930-Y934 HydrophobicContact CB-CD2 4.36Å; K930-Y934 HydrophobicContact CB-CE2 4.28Å; K930-Y934 WeakPolarHBondContact O-CB 3.5Å; K930-Y934 WeakPolarHBondContact O-CD2 3.18Å; K930-Y934 PolarHBondContact O-N 3.37Å; L931-Y934 PolarHBondContact O-N 3.43Å; E932-Y934 VanDerWaalsContact C-N 3.33Å; E932-Y934 PolarHBondContact O-N 3.32Å; Y934-A937 PolarHBondContact O-N 2.82Å; Y934-K938 VanDerWaalsContact O-CB 3.32Å; Y934-K938 WeakPolarHBondContact O-CB 3.16Å; Y934-K938 PolarHBondContact O-N 2.88Å |
| 935 | A | 87.9 | Confident | 85.6 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L931 E932 K938 A939 | L931-A935 WeakPolarHBondContact O-CB 3.15Å; L931-A935 PolarHBondContact O-N 2.86Å; E932-A935 WeakPolarHBondContact O-CB 3.31Å; E932-A935 PolarHBondContact O-N 3.25Å; E932-A935 VanDerWaalsContact O-N 3.08Å; A935-K938 PolarHBondContact O-N 3.42Å; A935-A939 PolarHBondContact O-N 3.26Å |
| 936 | E | 85.6 | Confident | 85.2 | Confident | 111 Ų | 111 | 78.7 Ų | 78.7 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 173.1 | -73.4 | -169.8 | 171.1 | 0 | 0 | 112.1 | E932 K938 A939 K940 | E932-E936 PolarHBondContact O-N 2.85Å; E936-K938 VanDerWaalsContact C-N 3.31Å; E936-K938 PolarHBondContact O-N 3.49Å; E936-A939 PolarHBondContact O-N 2.83Å; E936-K940 WeakPolarHBondContact O-CG 3.48Å; E936-K940 PolarHBondContact O-N 2.9Å |
| 937 | A | 82.5 | Confident | 84.4 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I899 G933 Y934 K940 L941 | I899-A937 HydrophobicContact CD1-CB 3.8Å; G933-A937 WeakPolarHBondContact O-CB 3.2Å; G933-A937 PolarHBondContact O-N 3.21Å; Y934-A937 PolarHBondContact O-N 2.82Å; A937-K940 PolarHBondContact O-N 2.97Å; A937-L941 WeakPolarHBondContact O-CG 3.47Å; A937-L941 PolarHBondContact O-N 2.93Å |
| 938 | K | 88 | Confident | 83.5 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 174 | -176.8 | -178.5 | 177 | 178.3 | 0 | 111.3 | I899 E900 I903 Y934 A935 E936 K940 L941 I942 | I899-K938 HydrophobicContact CG2-CB 3.96Å; E900-K938 HydrophobicContact CG-CD 4.05Å; E900-K938 WeakPolarHBondContact OE1-CE 3.35Å; E900-K938 IonicContact OE1-NZ 2.66Å; E900-K938 PolarHBondContact OE1-NZ 3.46Å; I903-K938 HydrophobicContact CD1-CB 4.38Å; I903-K938 HydrophobicContact CD1-CD 4.01Å; Y934-K938 VanDerWaalsContact O-CB 3.32Å; Y934-K938 WeakPolarHBondContact O-CB 3.16Å; Y934-K938 PolarHBondContact O-N 2.88Å; A935-K938 PolarHBondContact O-N 3.42Å; E936-K938 VanDerWaalsContact C-N 3.31Å; E936-K938 PolarHBondContact O-N 3.49Å; K938-K940 VanDerWaalsContact C-N 3.32Å; K938-K940 PolarHBondContact O-N 3.04Å; K938-L941 PolarHBondContact O-N 3.47Å; K938-I942 HydrophobicContact CD-CD1 4.41Å; K938-I942 PolarHBondContact O-N 3.2Å; K938-I942 WeakPolarHBondContact O-CG1 3.33Å; K938-I942 HydrophobicContact CG-CD1 3.87Å; K938-I942 HydrophobicContact CG-CG1 4.45Å |
| 939 | A | 84.8 | Confident | 82.8 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A935 E936 I942 E943 | A935-A939 PolarHBondContact O-N 3.26Å; E936-A939 PolarHBondContact O-N 2.83Å; A939-I942 PolarHBondContact O-N 3.01Å; A939-E943 WeakPolarHBondContact O-CB 3.33Å; A939-E943 PolarHBondContact O-N 3.24Å |
| 940 | K | 80.1 | Confident | 81.9 | Confident | 137 Ų | 137 | 66 Ų | 66 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 175.7 | -71.2 | 177.4 | -177.1 | 172.2 | 0 | 112.7 | E936 A937 K938 I942 E943 Q944 | E936-K940 WeakPolarHBondContact O-CG 3.48Å; E936-K940 PolarHBondContact O-N 2.9Å; A937-K940 PolarHBondContact O-N 2.97Å; K938-K940 VanDerWaalsContact C-N 3.32Å; K938-K940 PolarHBondContact O-N 3.04Å; K940-I942 VanDerWaalsContact C-N 3.35Å; K940-E943 PolarHBondContact O-N 2.69Å; K940-Q944 WeakPolarHBondContact O-CB 3.47Å; K940-Q944 PolarHBondContact O-N 3.05Å |
| 941 | L | 82.5 | Confident | 80.6 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 176.4 | -71.7 | 176.7 | 0 | 0 | 0 | 112.3 | L892 E895 V896 I899 A937 K938 Q944 Q945 | L892-L941 HydrophobicContact CD2-CD2 3.76Å; E895-L941 HydrophobicContact CB-CD1 3.79Å; V896-L941 HydrophobicContact CG2-CB 3.66Å; V896-L941 HydrophobicContact CG2-CD1 4.11Å; I899-L941 HydrophobicContact CD1-CD1 3.54Å; I899-L941 HydrophobicContact CG1-CD1 4.44Å; A937-L941 WeakPolarHBondContact O-CG 3.47Å; A937-L941 PolarHBondContact O-N 2.93Å; K938-L941 PolarHBondContact O-N 3.47Å; L941-Q944 PolarHBondContact O-N 3.07Å; L941-Q945 WeakPolarHBondContact O-CG 3.36Å; L941-Q945 PolarHBondContact O-N 3.33Å |
| 942 | I | 85.1 | Confident | 80.1 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 176.3 | -70.5 | 172.2 | 0 | 0 | 0 | 110.9 | V896 K938 A939 K940 Q944 Q945 A946 | V896-I942 HydrophobicContact CG2-CG1 4.35Å; K938-I942 HydrophobicContact CD-CD1 4.41Å; K938-I942 PolarHBondContact O-N 3.2Å; K938-I942 WeakPolarHBondContact O-CG1 3.33Å; K938-I942 HydrophobicContact CG-CD1 3.87Å; K938-I942 HydrophobicContact CG-CG1 4.45Å; A939-I942 PolarHBondContact O-N 3.01Å; K940-I942 VanDerWaalsContact C-N 3.35Å; I942-Q944 VanDerWaalsContact C-N 3.32Å; I942-Q945 WeakPolarHBondContact O-CB 3.46Å; I942-Q945 PolarHBondContact O-N 3.21Å; I942-A946 PolarHBondContact O-N 2.91Å |
| 943 | E | 78.5 | Confident | 79.6 | Confident | 132 Ų | 132 | 63.8 Ų | 63.8 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.3 | -46 | 172.7 | -175.1 | 179.2 | -169.3 | 0 | 0 | 110.6 | A939 K940 Q945 A946 V947 | A939-E943 WeakPolarHBondContact O-CB 3.33Å; A939-E943 PolarHBondContact O-N 3.24Å; K940-E943 PolarHBondContact O-N 2.69Å; E943-Q945 PolarHBondContact O-N 2.84Å; E943-A946 WeakPolarHBondContact O-CB 3.34Å; E943-A946 PolarHBondContact O-N 2.89Å; E943-A946 VanDerWaalsContact O-N 3.16Å; E943-V947 WeakPolarHBondContact O-CG2 3.48Å; E943-V947 PolarHBondContact O-N 2.79Å |
| 944 | Q | 74 | Confident | 79.2 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 174.8 | -167.3 | 176.9 | 9.1 | 0 | 0 | 111.8 | L892 K940 L941 I942 A946 V947 I948 | L892-Q944 HydrophobicContact CD1-CB 4.45Å; L892-Q944 HydrophobicContact CD1-CG 4.05Å; L892-Q944 HydrophobicContact CD2-CB 4.49Å; L892-Q944 HydrophobicContact CD2-CG 4.23Å; K940-Q944 WeakPolarHBondContact O-CB 3.47Å; K940-Q944 PolarHBondContact O-N 3.05Å; L941-Q944 PolarHBondContact O-N 3.07Å; I942-Q944 VanDerWaalsContact C-N 3.32Å; Q944-A946 VanDerWaalsContact C-N 3.33Å; Q944-A946 PolarHBondContact O-N 3.18Å; Q944-V947 PolarHBondContact O-N 2.83Å; Q944-I948 HydrophobicContact CG-CG1 4.48Å; Q944-I948 VanDerWaalsContact O-CG1 3.3Å; Q944-I948 WeakPolarHBondContact O-CG1 3.35Å; Q944-I948 PolarHBondContact O-N 2.73Å |
| 945 | Q | 78.8 | Confident | 78.5 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 20% | 0.201 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 173.2 | -81 | -176.2 | -24.8 | 0 | 0 | 112.1 | L892 L941 I942 E943 V947 I948 A949 | L892-Q945 HydrophobicContact CB-CG 3.5Å; L892-Q945 VanDerWaalsContact CB-CG 3.5Å; L892-Q945 HydrophobicContact CD1-CG 3.84Å; L892-Q945 HydrophobicContact CG-CG 4.27Å; L941-Q945 WeakPolarHBondContact O-CG 3.36Å; L941-Q945 PolarHBondContact O-N 3.33Å; I942-Q945 WeakPolarHBondContact O-CB 3.46Å; I942-Q945 PolarHBondContact O-N 3.21Å; E943-Q945 PolarHBondContact O-N 2.84Å; Q945-V947 VanDerWaalsContact C-N 3.33Å; Q945-V947 PolarHBondContact O-N 3.38Å; Q945-I948 PolarHBondContact O-N 2.93Å; Q945-A949 WeakPolarHBondContact O-CB 3.39Å; Q945-A949 PolarHBondContact O-N 3.4Å |
| 946 | A | 77.8 | Confident | 78 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I942 E943 Q944 A949 A950 | I942-A946 PolarHBondContact O-N 2.91Å; E943-A946 WeakPolarHBondContact O-CB 3.34Å; E943-A946 PolarHBondContact O-N 2.89Å; E943-A946 VanDerWaalsContact O-N 3.16Å; Q944-A946 VanDerWaalsContact C-N 3.33Å; Q944-A946 PolarHBondContact O-N 3.18Å; A946-A949 PolarHBondContact O-N 3.4Å; A946-A950 WeakPolarHBondContact O-CB 3.39Å; A946-A950 PolarHBondContact O-N 3Å; A946-A950 VanDerWaalsContact O-N 3.1Å |
| 947 | V | 70.7 | Confident | 77.5 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | V864 M879 E943 Q944 Q945 A950 | V864-V947 HydrophobicContact CG1-CG1 4.39Å; M879-V947 HydrophobicContact CE-CG1 3.43Å; M879-V947 VanDerWaalsContact CE-CG1 3.43Å; M879-V947 HydrophobicContact SD-CG1 4.35Å; E943-V947 WeakPolarHBondContact O-CG2 3.48Å; E943-V947 PolarHBondContact O-N 2.79Å; Q944-V947 PolarHBondContact O-N 2.83Å; Q945-V947 VanDerWaalsContact C-N 3.33Å; Q945-V947 PolarHBondContact O-N 3.38Å; V947-A950 PolarHBondContact O-N 2.86Å |
| 948 | I | 71.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 176.9 | -62.8 | -62 | 0 | 0 | 0 | 111.7 | M814 M879 I883 K885 E888 L889 L892 Q944 Q945 A950 L951 | M814-I948 HydrophobicContact CE-CD1 4.15Å; M879-I948 HydrophobicContact CE-CD1 4.43Å; M879-I948 HydrophobicContact SD-CD1 3.59Å; M879-I948 VanDerWaalsContact SD-CD1 3.59Å; I883-I948 HydrophobicContact CD1-CD1 3.56Å; K885-I948 WeakPolarHBondContact CE-O 3.03Å; K885-I948 HydrophobicContact CG-CG2 4.35Å; E888-I948 HydrophobicContact CB-CG2 4.33Å; E888-I948 HydrophobicContact CG-CD1 4.37Å; E888-I948 HydrophobicContact CG-CG1 4.23Å; E888-I948 HydrophobicContact CG-CG2 4.21Å; L889-I948 HydrophobicContact CD2-CB 4.18Å; L889-I948 HydrophobicContact CD2-CG2 3.92Å; L889-I948 HydrophobicContact CG-CG2 3.89Å; L892-I948 HydrophobicContact CD1-CB 4.46Å; L892-I948 HydrophobicContact CD1-CG1 4.03Å; Q944-I948 HydrophobicContact CG-CG1 4.48Å; Q944-I948 VanDerWaalsContact O-CG1 3.3Å; Q944-I948 WeakPolarHBondContact O-CG1 3.35Å; Q944-I948 PolarHBondContact O-N 2.73Å; Q945-I948 PolarHBondContact O-N 2.93Å; I948-A950 PolarHBondContact O-N 3.27Å; I948-L951 HydrophobicContact CD1-CD1 3.83Å; I948-L951 HydrophobicContact CG2-CD1 4.43Å; I948-L951 WeakPolarHBondContact O-CB 3.31Å; I948-L951 PolarHBondContact O-N 3.13Å |
| 949 | A | 75.7 | Confident | 76.3 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 40% | 0.397 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -28.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K885 L889 Q945 A946 | K885-A949 WeakPolarHBondContact CE-O 3.41Å; K885-A949 PolarHBondContact NZ-O 3.1Å; L889-A949 HydrophobicContact CD2-CB 4.25Å; Q945-A949 WeakPolarHBondContact O-CB 3.39Å; Q945-A949 PolarHBondContact O-N 3.4Å; A946-A949 PolarHBondContact O-N 3.4Å |
| 950 | A | 69.6 | Low | 75.5 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A946 V947 I948 | A946-A950 WeakPolarHBondContact O-CB 3.39Å; A946-A950 PolarHBondContact O-N 3Å; A946-A950 VanDerWaalsContact O-N 3.1Å; V947-A950 PolarHBondContact O-N 2.86Å; I948-A950 PolarHBondContact O-N 3.27Å |
| 951 | L | 62.5 | Low | 75.1 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | trans | -64.2 | 0 | 168.9 | -68.1 | 169.9 | 0 | 0 | 0 | 111.3 | V864 M879 K885 I948 | V864-L951 HydrophobicContact CB-CD2 3.93Å; V864-L951 HydrophobicContact CG1-CD2 4.01Å; M879-L951 HydrophobicContact CB-CD1 3.89Å; M879-L951 HydrophobicContact CB-CD2 3.91Å; M879-L951 HydrophobicContact CE-CD1 3.99Å; M879-L951 HydrophobicContact CE-CD2 3.83Å; M879-L951 HydrophobicContact CE-CG 4.03Å; M879-L951 HydrophobicContact SD-CD1 4.19Å; K885-L951 WeakPolarHBondContact CD-OXT 3.48Å; K885-L951 VanDerWaalsContact CE-OXT 3.29Å; K885-L951 WeakPolarHBondContact CE-OXT 3.33Å; K885-L951 PolarHBondContact NZ-OXT 3.23Å; I948-L951 HydrophobicContact CD1-CD1 3.83Å; I948-L951 HydrophobicContact CG2-CD1 4.43Å; I948-L951 WeakPolarHBondContact O-CB 3.31Å; I948-L951 PolarHBondContact O-N 3.13Å |
Retrieved 951 of 951 residues in 5838.7 ms
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