| 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 | 58.1 | Low | 88 | Confident | 205 Ų | 205 | 96.4 Ų | 96.4 | 100% | 1.01 | 50% | 0.504 | S | S | * | . | 0 | 125.7 | 0 | -150.5 | 176.8 | -75.2 | 0 | 0 | 107.1 | |||||
| 2 | N | 83.2 | Confident | 88.6 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -72.6 | 129.5 | -178 | -175.5 | -18.5 | 0 | 0 | 0 | 108.7 | N4 E5 A6 | N2-N4 PolarHBondContact O-N 3.04Å; N2-N4 VanDerWaalsContact O-N 3.11Å; N2-N4 PolarHBondContact OD1-N 3.21Å; N2-N4 VanDerWaalsContact OD1-N 3.14Å; N2-E5 HydrophobicContact CB-CB 4.44Å; N2-E5 HydrophobicContact CB-CG 4.01Å; N2-E5 PolarHBondContact N-OE2 3.33Å; N2-E5 WeakPolarHBondContact O-CB 3.23Å; N2-E5 PolarHBondContact O-N 3.36Å; N2-A6 PolarHBondContact O-N 3.11Å | ||
| 3 | Q | 88.3 | Confident | 89.4 | Confident | 170 Ų | 170 | 101 Ų | 101 | 79% | 0.794 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.1 | -30.4 | -179 | -69.8 | 179 | -16.1 | 0 | 0 | 112.3 | A6 A7 | Q3-A6 PolarHBondContact O-N 3.07Å; Q3-A7 WeakPolarHBondContact O-CB 3.27Å; Q3-A7 PolarHBondContact O-N 3.15Å |
| 4 | N | 86 | Confident | 90 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.9 | -37.8 | 176.2 | -68.1 | -16.9 | 0 | 0 | 0 | 112.6 | N2 A7 E8 | N2-N4 PolarHBondContact O-N 3.04Å; N2-N4 VanDerWaalsContact O-N 3.11Å; N2-N4 PolarHBondContact OD1-N 3.21Å; N2-N4 VanDerWaalsContact OD1-N 3.14Å; N4-A7 PolarHBondContact O-N 3.4Å; N4-E8 WeakPolarHBondContact O-CB 3.37Å; N4-E8 PolarHBondContact O-N 2.87Å |
| 5 | E | 90.3 | Very high | 90.4 | Very high | 120 Ų | 120 | 94.6 Ų | 94.6 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 177.9 | -69.3 | 168.7 | 169.6 | 0 | 0 | 110.7 | N2 A7 E8 E9 | N2-E5 HydrophobicContact CB-CB 4.44Å; N2-E5 HydrophobicContact CB-CG 4.01Å; N2-E5 PolarHBondContact N-OE2 3.33Å; N2-E5 WeakPolarHBondContact O-CB 3.23Å; N2-E5 PolarHBondContact O-N 3.36Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 2.91Å; E5-E8 PolarHBondContact O-N 3.08Å; E5-E9 WeakPolarHBondContact O-CB 3.46Å; E5-E9 PolarHBondContact O-N 3.19Å |
| 6 | A | 92.4 | Very high | 90.8 | Very high | 45 Ų | 45 | 97.2 Ų | 97.2 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N2 Q3 E9 L10 | N2-A6 PolarHBondContact O-N 3.11Å; Q3-A6 PolarHBondContact O-N 3.07Å; A6-E9 PolarHBondContact O-N 2.83Å; A6-L10 PolarHBondContact O-N 3.05Å |
| 7 | A | 91 | Very high | 91.2 | Very high | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q3 N4 E5 E9 L10 M11 | Q3-A7 WeakPolarHBondContact O-CB 3.27Å; Q3-A7 PolarHBondContact O-N 3.15Å; N4-A7 PolarHBondContact O-N 3.4Å; E5-A7 VanDerWaalsContact C-N 3.33Å; E5-A7 PolarHBondContact O-N 2.91Å; A7-E9 VanDerWaalsContact C-N 3.33Å; A7-E9 PolarHBondContact O-N 3.26Å; A7-L10 WeakPolarHBondContact O-CB 3.46Å; A7-L10 PolarHBondContact O-N 3.39Å; A7-M11 WeakPolarHBondContact O-CG 3.38Å; A7-M11 PolarHBondContact O-N 3.13Å |
| 8 | E | 92 | Very high | 91.5 | Very high | 59 Ų | 59 | 92.6 Ų | 92.6 | 28% | 0.276 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 178.8 | -165 | 67.2 | -152.9 | 0 | 0 | 111.4 | N4 E5 M11 R12 R56 | N4-E8 WeakPolarHBondContact O-CB 3.37Å; N4-E8 PolarHBondContact O-N 2.87Å; E5-E8 PolarHBondContact O-N 3.08Å; E8-M11 PolarHBondContact O-N 3.46Å; E8-R12 WeakPolarHBondContact O-CG 3.37Å; E8-R12 PolarHBondContact O-N 2.94Å; E8-R56 IonicContact OE2-CZ 2.82Å; E8-R56 IonicContact OE2-NH2 2.72Å; E8-R56 PolarHBondContact OE2-NH2 2.87Å |
| 9 | E | 95.1 | Very high | 91.7 | Very high | 94 Ų | 94 | 92.3 Ų | 92.3 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 172.5 | -164.4 | -166.4 | 148.8 | 0 | 0 | 111.7 | E5 A6 A7 R12 K13 | E5-E9 WeakPolarHBondContact O-CB 3.46Å; E5-E9 PolarHBondContact O-N 3.19Å; A6-E9 PolarHBondContact O-N 2.83Å; A7-E9 VanDerWaalsContact C-N 3.33Å; A7-E9 PolarHBondContact O-N 3.26Å; E9-R12 PolarHBondContact O-N 3.23Å; E9-K13 WeakPolarHBondContact O-CG 3.48Å; E9-K13 PolarHBondContact O-N 2.93Å; E9-K13 WeakPolarHBondContact OE1-CE 3.42Å; E9-K13 IonicContact OE1-NZ 2.75Å; E9-K13 PolarHBondContact OE1-NZ 3.08Å |
| 10 | L | 95.2 | Very high | 91.9 | Very high | 110 Ų | 110 | 93.3 Ų | 93.3 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 175.2 | -176.9 | 63.3 | 0 | 0 | 0 | 111.4 | A6 A7 R12 K13 V14 | A6-L10 PolarHBondContact O-N 3.05Å; A7-L10 WeakPolarHBondContact O-CB 3.46Å; A7-L10 PolarHBondContact O-N 3.39Å; L10-R12 VanDerWaalsContact C-N 3.34Å; L10-R12 PolarHBondContact O-N 3.28Å; L10-K13 WeakPolarHBondContact O-CB 3.47Å; L10-K13 PolarHBondContact O-N 3.33Å; L10-K13 VanDerWaalsContact O-N 3.14Å; L10-V14 PolarHBondContact O-N 3.21Å |
| 11 | M | 96 | Very high | 92 | Very high | 13 Ų | 13 | 92.7 Ų | 92.7 | 6% | 0.064 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.1 | -70.7 | -176.4 | 67.5 | 0 | 0 | 112.1 | A7 E8 K13 V14 E15 L33 I36 N37 I40 | A7-M11 WeakPolarHBondContact O-CG 3.38Å; A7-M11 PolarHBondContact O-N 3.13Å; E8-M11 PolarHBondContact O-N 3.46Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 2.84Å; M11-V14 PolarHBondContact O-N 3.48Å; M11-E15 PolarHBondContact O-N 3.32Å; M11-L33 HydrophobicContact CE-CD1 4.03Å; M11-I36 HydrophobicContact CE-CG2 3.82Å; M11-I36 HydrophobicContact CG-CG2 3.96Å; M11-I36 HydrophobicContact SD-CG2 3.95Å; M11-N37 WeakPolarHBondContact CE-OD1 3.43Å; M11-I40 HydrophobicContact CE-CD1 4.15Å; M11-I40 HydrophobicContact SD-CD1 3.64Å |
| 12 | R | 96.3 | Very high | 93.7 | Very high | 142 Ų | 142 | 85.5 Ų | 85.5 | 54% | 0.536 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63 | -33.7 | 174.7 | -73.1 | 174.7 | -174.5 | 168.4 | 1.5 | 112.7 | E8 E9 L10 K16 | E8-R12 WeakPolarHBondContact O-CG 3.37Å; E8-R12 PolarHBondContact O-N 2.94Å; E9-R12 PolarHBondContact O-N 3.23Å; L10-R12 VanDerWaalsContact C-N 3.34Å; L10-R12 PolarHBondContact O-N 3.28Å; R12-K16 VanDerWaalsContact O-CG 3.3Å; R12-K16 WeakPolarHBondContact O-CG 3.27Å; R12-K16 PolarHBondContact O-N 3.31Å; R12-K16 VanDerWaalsContact O-N 3.09Å |
| 13 | K | 98 | Very high | 94.2 | Very high | 111 Ų | 111 | 88.5 Ų | 88.5 | 48% | 0.483 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 173.6 | -72.5 | 170.5 | -175.5 | 165.6 | 0 | 110.4 | E9 L10 M11 E15 K16 E17 | E9-K13 WeakPolarHBondContact O-CG 3.48Å; E9-K13 PolarHBondContact O-N 2.93Å; E9-K13 WeakPolarHBondContact OE1-CE 3.42Å; E9-K13 IonicContact OE1-NZ 2.75Å; E9-K13 PolarHBondContact OE1-NZ 3.08Å; L10-K13 WeakPolarHBondContact O-CB 3.47Å; L10-K13 PolarHBondContact O-N 3.33Å; L10-K13 VanDerWaalsContact O-N 3.14Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 2.84Å; K13-E15 PolarHBondContact O-N 2.74Å; K13-K16 PolarHBondContact O-N 2.9Å; K13-E17 WeakPolarHBondContact O-CG 3.44Å; K13-E17 PolarHBondContact O-N 2.89Å |
| 14 | V | 97.8 | Very high | 94.5 | Very high | 33 Ų | 33 | 86.2 Ų | 86.2 | 20% | 0.2 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 176.5 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | L10 M11 K16 E17 E18 H32 L33 I36 | L10-V14 PolarHBondContact O-N 3.21Å; M11-V14 PolarHBondContact O-N 3.48Å; V14-K16 PolarHBondContact O-N 3.35Å; V14-E17 PolarHBondContact O-N 3.48Å; V14-E18 HydrophobicContact CG1-CG 4.36Å; V14-E18 PolarHBondContact O-N 3.45Å; V14-H32 HydrophobicContact CG1-CB 3.83Å; V14-L33 HydrophobicContact CG1-CB 4.28Å; V14-I36 HydrophobicContact CB-CD1 4.47Å; V14-I36 HydrophobicContact CG1-CD1 4.23Å; V14-I36 HydrophobicContact CG2-CD1 4.08Å |
| 15 | E | 96.5 | Very high | 94.9 | Very high | 73 Ų | 73 | 84.5 Ų | 84.5 | 34% | 0.341 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.3 | -48 | 177.8 | -172.8 | 169 | -143.1 | 0 | 0 | 111.7 | M11 K13 E17 E18 D19 L33 | M11-E15 PolarHBondContact O-N 3.32Å; K13-E15 PolarHBondContact O-N 2.74Å; E15-E17 PolarHBondContact O-N 2.64Å; E15-E18 PolarHBondContact O-N 2.89Å; E15-D19 VanDerWaalsContact O-CG 3.3Å; E15-D19 PolarHBondContact O-N 2.97Å; E15-L33 HydrophobicContact CB-CD2 3.89Å; E15-L33 HydrophobicContact CG-CD2 3.88Å |
| 16 | K | 97.3 | Very high | 95 | Very high | 136 Ų | 136 | 82.7 Ų | 82.7 | 59% | 0.591 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 177.4 | -74.5 | 176.6 | -179.5 | -175.4 | 0 | 113.7 | R12 K13 V14 K20 | R12-K16 VanDerWaalsContact O-CG 3.3Å; R12-K16 WeakPolarHBondContact O-CG 3.27Å; R12-K16 PolarHBondContact O-N 3.31Å; R12-K16 VanDerWaalsContact O-N 3.09Å; K13-K16 PolarHBondContact O-N 2.9Å; V14-K16 PolarHBondContact O-N 3.35Å; K16-K20 VanDerWaalsContact O-CG 3.32Å; K16-K20 WeakPolarHBondContact O-CG 3.43Å; K16-K20 PolarHBondContact O-N 3.34Å; K16-K20 VanDerWaalsContact O-N 3.12Å |
| 17 | E | 97.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 87.1 Ų | 87.1 | 46% | 0.458 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.9 | -36.9 | 177.6 | -63.8 | -48.5 | 130.2 | 0 | 0 | 111.5 | K13 V14 E15 D19 K20 L21 | K13-E17 WeakPolarHBondContact O-CG 3.44Å; K13-E17 PolarHBondContact O-N 2.89Å; V14-E17 PolarHBondContact O-N 3.48Å; E15-E17 PolarHBondContact O-N 2.64Å; E17-D19 VanDerWaalsContact C-N 3.35Å; E17-K20 PolarHBondContact O-N 3Å; E17-K20 IonicContact OE1-NZ 2.67Å; E17-K20 PolarHBondContact OE1-NZ 3.43Å; E17-K20 WeakPolarHBondContact OE2-CD 3.29Å; E17-K20 IonicContact OE2-NZ 3.33Å; E17-K20 PolarHBondContact OE2-NZ 3.38Å; E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 2.9Å; E17-L21 VanDerWaalsContact O-N 3.14Å |
| 18 | E | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 87.9 Ų | 87.9 | 6% | 0.061 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 171.8 | -72.4 | -168 | 162.7 | 0 | 0 | 111.2 | V14 E15 K20 L21 L22 L30 H32 L33 | V14-E18 HydrophobicContact CG1-CG 4.36Å; V14-E18 PolarHBondContact O-N 3.45Å; E15-E18 PolarHBondContact O-N 2.89Å; E18-K20 PolarHBondContact O-N 3.39Å; E18-L21 PolarHBondContact O-N 2.88Å; E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 3.08Å; E18-L30 HydrophobicContact CB-CB 4.5Å; E18-L30 HydrophobicContact CB-CD1 3.71Å; E18-L30 HydrophobicContact CG-CB 4.09Å; E18-L30 HydrophobicContact CG-CD1 3.97Å; E18-L30 VanDerWaalsContact O-CD1 3.3Å; E18-L30 WeakPolarHBondContact O-CD1 3.49Å; E18-H32 WeakPolarHBondContact OE1-CA 3.47Å; E18-H32 VanDerWaalsContact OE1-CB 3.26Å; E18-H32 WeakPolarHBondContact OE1-CB 3.29Å; E18-H32 IonicContact OE1-CG 2.7Å; E18-H32 PolarHBondContact OE1-N 3.29Å; E18-H32 IonicContact OE1-ND1 3.06Å; E18-L33 PolarHBondContact OE1-N 3.13Å; E18-L33 WeakPolarHBondContact OE2-CB 3.36Å |
| 19 | D | 95 | Very high | 94.8 | Very high | 88 Ų | 88 | 92.3 Ų | 92.3 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.2 | -72 | -20.4 | 0 | 0 | 0 | 112.4 | E15 E17 L21 L22 L23 | E15-D19 VanDerWaalsContact O-CG 3.3Å; E15-D19 PolarHBondContact O-N 2.97Å; E17-D19 VanDerWaalsContact C-N 3.35Å; D19-L21 VanDerWaalsContact C-N 3.31Å; D19-L21 PolarHBondContact O-N 3.13Å; D19-L22 PolarHBondContact O-N 2.96Å; D19-L23 WeakPolarHBondContact O-CG 3.34Å; D19-L23 PolarHBondContact O-N 2.97Å |
| 20 | K | 96.6 | Very high | 94.7 | Very high | 112 Ų | 112 | 88.7 Ų | 88.7 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 176 | -74.1 | 171.7 | -173.5 | 172 | 0 | 112.6 | K16 E17 E18 L23 T24 | K16-K20 VanDerWaalsContact O-CG 3.32Å; K16-K20 WeakPolarHBondContact O-CG 3.43Å; K16-K20 PolarHBondContact O-N 3.34Å; K16-K20 VanDerWaalsContact O-N 3.12Å; E17-K20 PolarHBondContact O-N 3Å; E17-K20 IonicContact OE1-NZ 2.67Å; E17-K20 PolarHBondContact OE1-NZ 3.43Å; E17-K20 WeakPolarHBondContact OE2-CD 3.29Å; E17-K20 IonicContact OE2-NZ 3.33Å; E17-K20 PolarHBondContact OE2-NZ 3.38Å; E18-K20 PolarHBondContact O-N 3.39Å; K20-L23 PolarHBondContact O-N 3.06Å; K20-T24 PolarHBondContact O-N 3.21Å; K20-T24 PolarHBondContact O-OG1 3.35Å |
| 21 | L | 94.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 86.3 Ų | 86.3 | 42% | 0.424 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 176.8 | -72.8 | 173.3 | 0 | 0 | 0 | 110.7 | E17 E18 D19 L23 T24 D25 L30 | E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 2.9Å; E17-L21 VanDerWaalsContact O-N 3.14Å; E18-L21 PolarHBondContact O-N 2.88Å; D19-L21 VanDerWaalsContact C-N 3.31Å; D19-L21 PolarHBondContact O-N 3.13Å; L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 2.96Å; L21-T24 WeakPolarHBondContact O-CA 3.41Å; L21-T24 WeakPolarHBondContact O-CB 3.3Å; L21-T24 PolarHBondContact O-N 3.44Å; L21-D25 PolarHBondContact O-N 2.94Å; L21-L30 HydrophobicContact CB-CD1 3.96Å; L21-L30 HydrophobicContact CD1-CD1 4.41Å; L21-L30 HydrophobicContact CD1-CD2 4.16Å |
| 22 | L | 92.7 | Very high | 94.7 | Very high | 54 Ų | 54 | 91.8 Ų | 91.8 | 28% | 0.283 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.6 | -26.3 | 176 | -69.1 | 172.2 | 0 | 0 | 0 | 113.9 | E18 D19 T24 D25 P26 Q28 L30 | E18-L22 WeakPolarHBondContact O-CG 3.37Å; E18-L22 PolarHBondContact O-N 3.08Å; D19-L22 PolarHBondContact O-N 2.96Å; L22-T24 VanDerWaalsContact C-N 3.26Å; L22-D25 CarbonylContact O-C 3.45Å; L22-P26 VanDerWaalsContact O-CA 3.26Å; L22-P26 WeakPolarHBondContact O-CA 3.34Å; L22-Q28 WeakPolarHBondContact CD2-O 3.47Å; L22-L30 HydrophobicContact CD1-CD1 4.38Å; L22-L30 HydrophobicContact CD2-CD1 4.08Å; L22-L30 HydrophobicContact CG-CD1 3.8Å |
| 23 | L | 94.7 | Very high | 94.7 | Very high | 148 Ų | 148 | 85.8 Ų | 85.8 | 78% | 0.775 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.2 | -28.8 | 170.1 | -67.2 | 174.8 | 0 | 0 | 0 | 112.3 | D19 K20 L21 | D19-L23 WeakPolarHBondContact O-CG 3.34Å; D19-L23 PolarHBondContact O-N 2.97Å; K20-L23 PolarHBondContact O-N 3.06Å; L21-L23 VanDerWaalsContact C-N 3.28Å; L21-L23 PolarHBondContact O-N 2.96Å |
| 24 | T | 94.8 | Very high | 94.6 | Very high | 122 Ų | 122 | 80.5 Ų | 80.5 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -86 | -44.9 | -180 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | K20 L21 L22 | K20-T24 PolarHBondContact O-N 3.21Å; K20-T24 PolarHBondContact O-OG1 3.35Å; L21-T24 WeakPolarHBondContact O-CA 3.41Å; L21-T24 WeakPolarHBondContact O-CB 3.3Å; L21-T24 PolarHBondContact O-N 3.44Å; L22-T24 VanDerWaalsContact C-N 3.26Å |
| 25 | D | 94 | Very high | 94.6 | Very high | 72 Ų | 72 | 83.4 Ų | 83.4 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | trans | -132.5 | 93.5 | 177.3 | 179.9 | 1.9 | 0 | 0 | 0 | 109.4 | L21 L22 D27 Q28 | L21-D25 PolarHBondContact O-N 2.94Å; L22-D25 CarbonylContact O-C 3.45Å; D25-D27 PolarHBondContact O-N 3.18Å; D25-D27 VanDerWaalsContact O-N 3.17Å; D25-D27 PolarHBondContact OD1-N 3.48Å; D25-Q28 HydrophobicContact CB-CB 4.05Å; D25-Q28 WeakPolarHBondContact O-CB 3.49Å; D25-Q28 PolarHBondContact O-N 3.47Å; D25-Q28 PolarHBondContact OD1-N 3.32Å | ||
| 26 | P | 91.2 | Very high | 94.7 | Very high | 82 Ų | 82 | 82.4 Ų | 82.4 | 53% | 0.532 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18 | -179.9 | -24.6 | 34.8 | 0 | 0 | 0 | 114.2 | L22 K66 | L22-P26 VanDerWaalsContact O-CA 3.26Å; L22-P26 WeakPolarHBondContact O-CA 3.34Å; P26-K66 PolarHBondContact O-NZ 3.21Å |
| 27 | D | 90.2 | Very high | 94.7 | Very high | 138 Ų | 138 | 76 Ų | 76 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -7 | -179.1 | -70.7 | -41.5 | 0 | 0 | 0 | 112.6 | D25 R29 | D25-D27 PolarHBondContact O-N 3.18Å; D25-D27 VanDerWaalsContact O-N 3.17Å; D25-D27 PolarHBondContact OD1-N 3.48Å; D27-R29 PolarHBondContact O-N 3Å |
| 28 | Q | 92.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 71.9 Ų | 71.9 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | trans | -57.1 | 136 | 176.6 | -161.3 | 174.7 | 25.1 | 0 | 0 | 111.3 | L22 D25 L30 | L22-Q28 WeakPolarHBondContact CD2-O 3.47Å; D25-Q28 HydrophobicContact CB-CB 4.05Å; D25-Q28 WeakPolarHBondContact O-CB 3.49Å; D25-Q28 PolarHBondContact O-N 3.47Å; D25-Q28 PolarHBondContact OD1-N 3.32Å; Q28-L30 HydrophobicContact CG-CD2 3.94Å; Q28-L30 HydrophobicContact CG-CG 4.27Å | ||
| 29 | R | 89 | Confident | 94.9 | Very high | 151 Ų | 151 | 75.6 Ų | 75.6 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | trans | -96.3 | 115.9 | 173.6 | -60.9 | -173.7 | -175.7 | -177.6 | 0.9 | 109.5 | D27 F31 H69 | D27-R29 PolarHBondContact O-N 3Å; R29-F31 HydrophobicContact CB-CD2 4.46Å; R29-F31 HydrophobicContact CB-CE2 3.65Å; R29-F31 HydrophobicContact CB-CZ 4.2Å; R29-H69 PolarHBondContact NH1-NE2 2.87Å | ||
| 30 | L | 93.2 | Very high | 95 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | trans | -115.7 | 131.5 | -178 | -60.4 | 174.4 | 0 | 0 | 0 | 110.1 | E18 L21 L22 Q28 | E18-L30 HydrophobicContact CB-CB 4.5Å; E18-L30 HydrophobicContact CB-CD1 3.71Å; E18-L30 HydrophobicContact CG-CB 4.09Å; E18-L30 HydrophobicContact CG-CD1 3.97Å; E18-L30 VanDerWaalsContact O-CD1 3.3Å; E18-L30 WeakPolarHBondContact O-CD1 3.49Å; L21-L30 HydrophobicContact CB-CD1 3.96Å; L21-L30 HydrophobicContact CD1-CD1 4.41Å; L21-L30 HydrophobicContact CD1-CD2 4.16Å; L22-L30 HydrophobicContact CD1-CD1 4.38Å; L22-L30 HydrophobicContact CD2-CD1 4.08Å; L22-L30 HydrophobicContact CG-CD1 3.8Å; Q28-L30 HydrophobicContact CG-CD2 3.94Å; Q28-L30 HydrophobicContact CG-CG 4.27Å | ||
| 31 | F | 94.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 68 Ų | 68 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | trans | -126.2 | 0.3 | -170.8 | -67.9 | -82.7 | 0 | 0 | 0 | 113.9 | R29 C34 I35 K67 T72 | R29-F31 HydrophobicContact CB-CD2 4.46Å; R29-F31 HydrophobicContact CB-CE2 3.65Å; R29-F31 HydrophobicContact CB-CZ 4.2Å; F31-C34 HydrophobicContact CB-CB 4.48Å; F31-C34 HydrophobicContact CD1-CB 4.37Å; F31-C34 WeakPolarHBondContact O-CB 3.32Å; F31-C34 PolarHBondContact O-N 2.99Å; F31-I35 HydrophobicContact CB-CD1 4.04Å; F31-I35 HydrophobicContact CB-CG1 4.39Å; F31-I35 WeakPolarHBondContact O-CB 3.43Å; F31-I35 WeakPolarHBondContact O-CD1 3.26Å; F31-I35 WeakPolarHBondContact O-CG1 3.44Å; F31-I35 PolarHBondContact O-N 3.47Å; F31-K67 HydrophobicContact CE1-CG 4.5Å; F31-T72 HydrophobicContact CD1-CG2 4.42Å; F31-T72 HydrophobicContact CE1-CG2 4.38Å | ||
| 32 | H | 96.5 | Very high | 95.2 | Very high | 128 Ų | 128 | 66.9 Ų | 66.9 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.6 | -50.2 | -176.2 | -61.5 | 91.4 | 0 | 0 | 0 | 110.4 | V14 E18 C34 I35 I36 | V14-H32 HydrophobicContact CG1-CB 3.83Å; E18-H32 WeakPolarHBondContact OE1-CA 3.47Å; E18-H32 VanDerWaalsContact OE1-CB 3.26Å; E18-H32 WeakPolarHBondContact OE1-CB 3.29Å; E18-H32 IonicContact OE1-CG 2.7Å; E18-H32 PolarHBondContact OE1-N 3.29Å; E18-H32 IonicContact OE1-ND1 3.06Å; H32-C34 VanDerWaalsContact C-N 3.28Å; H32-C34 PolarHBondContact O-N 3.24Å; H32-I35 PolarHBondContact O-N 3.43Å; H32-I36 WeakPolarHBondContact O-CD1 3.38Å; H32-I36 VanDerWaalsContact O-CG1 3.24Å; H32-I36 WeakPolarHBondContact O-CG1 3.47Å; H32-I36 PolarHBondContact O-N 2.91Å |
| 33 | L | 96.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 177.2 | -171.9 | 61.2 | 0 | 0 | 0 | 112 | M11 V14 E15 E18 N37 | M11-L33 HydrophobicContact CE-CD1 4.03Å; V14-L33 HydrophobicContact CG1-CB 4.28Å; E15-L33 HydrophobicContact CB-CD2 3.89Å; E15-L33 HydrophobicContact CG-CD2 3.88Å; E18-L33 PolarHBondContact OE1-N 3.13Å; E18-L33 WeakPolarHBondContact OE2-CB 3.36Å; L33-N37 WeakPolarHBondContact O-CB 3.27Å; L33-N37 PolarHBondContact O-N 2.8Å; L33-N37 VanDerWaalsContact O-N 3.09Å; L33-N37 PolarHBondContact O-ND2 3.44Å |
| 34 | C | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.9 | -54.8 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 111 | F31 H32 I36 N37 L38 S60 K67 | F31-C34 HydrophobicContact CB-CB 4.48Å; F31-C34 HydrophobicContact CD1-CB 4.37Å; F31-C34 WeakPolarHBondContact O-CB 3.32Å; F31-C34 PolarHBondContact O-N 2.99Å; H32-C34 VanDerWaalsContact C-N 3.28Å; H32-C34 PolarHBondContact O-N 3.24Å; C34-I36 PolarHBondContact O-N 2.67Å; C34-N37 PolarHBondContact O-N 3.44Å; C34-L38 WeakPolarHBondContact O-CG 3.46Å; C34-L38 PolarHBondContact O-N 3.48Å; C34-S60 WeakPolarHBondContact CB-O 3.29Å; C34-S60 WeakPolarHBondContact O-CB 3.24Å; C34-S60 PolarHBondContact SG-O 2.72Å; C34-K67 HydrophobicContact CB-CD 4.08Å |
| 35 | I | 97.6 | Very high | 95.8 | Very high | 95 Ų | 95 | 59.3 Ų | 59.3 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | -178 | -69.3 | 163.7 | 0 | 0 | 0 | 110.5 | F31 H32 N37 L38 V39 | F31-I35 HydrophobicContact CB-CD1 4.04Å; F31-I35 HydrophobicContact CB-CG1 4.39Å; F31-I35 WeakPolarHBondContact O-CB 3.43Å; F31-I35 WeakPolarHBondContact O-CD1 3.26Å; F31-I35 WeakPolarHBondContact O-CG1 3.44Å; F31-I35 PolarHBondContact O-N 3.47Å; H32-I35 PolarHBondContact O-N 3.43Å; I35-N37 VanDerWaalsContact C-N 3.34Å; I35-N37 PolarHBondContact O-N 3.01Å; I35-L38 PolarHBondContact O-N 2.83Å; I35-V39 HydrophobicContact CG2-CG2 4.24Å; I35-V39 WeakPolarHBondContact O-CB 3.31Å; I35-V39 VanDerWaalsContact O-CG2 3.31Å; I35-V39 WeakPolarHBondContact O-CG2 3.21Å; I35-V39 PolarHBondContact O-N 3.22Å |
| 36 | I | 97.7 | Very high | 95.9 | Very high | 52 Ų | 52 | 60 Ų | 60 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 177.3 | -68 | 164 | 0 | 0 | 0 | 110.5 | M11 V14 H32 C34 L38 V39 I40 | M11-I36 HydrophobicContact CE-CG2 3.82Å; M11-I36 HydrophobicContact CG-CG2 3.96Å; M11-I36 HydrophobicContact SD-CG2 3.95Å; V14-I36 HydrophobicContact CB-CD1 4.47Å; V14-I36 HydrophobicContact CG1-CD1 4.23Å; V14-I36 HydrophobicContact CG2-CD1 4.08Å; H32-I36 WeakPolarHBondContact O-CD1 3.38Å; H32-I36 VanDerWaalsContact O-CG1 3.24Å; H32-I36 WeakPolarHBondContact O-CG1 3.47Å; H32-I36 PolarHBondContact O-N 2.91Å; C34-I36 PolarHBondContact O-N 2.67Å; I36-L38 PolarHBondContact O-N 3.21Å; I36-V39 PolarHBondContact O-N 3.41Å; I36-I40 HydrophobicContact CG2-CD1 3.74Å; I36-I40 HydrophobicContact CG2-CG1 4.48Å; I36-I40 VanDerWaalsContact O-CG1 3.29Å; I36-I40 WeakPolarHBondContact O-CG1 3.46Å; I36-I40 PolarHBondContact O-N 3.33Å |
| 37 | N | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.011 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 178.3 | -78.7 | -61.7 | 0 | 0 | 0 | 112.5 | M11 L33 C34 I35 G41 R56 | M11-N37 WeakPolarHBondContact CE-OD1 3.43Å; L33-N37 WeakPolarHBondContact O-CB 3.27Å; L33-N37 PolarHBondContact O-N 2.8Å; L33-N37 VanDerWaalsContact O-N 3.09Å; L33-N37 PolarHBondContact O-ND2 3.44Å; C34-N37 PolarHBondContact O-N 3.44Å; I35-N37 VanDerWaalsContact C-N 3.34Å; I35-N37 PolarHBondContact O-N 3.01Å; N37-G41 PolarHBondContact O-N 2.9Å; N37-R56 WeakPolarHBondContact OD1-CD 3.12Å; N37-R56 PolarHBondContact OD1-NH1 3.21Å |
| 38 | L | 98.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 175.1 | -75.2 | 175 | 0 | 0 | 0 | 112.1 | C34 I35 I36 G41 T42 V57 S60 T72 V76 | C34-L38 WeakPolarHBondContact O-CG 3.46Å; C34-L38 PolarHBondContact O-N 3.48Å; I35-L38 PolarHBondContact O-N 2.83Å; I36-L38 PolarHBondContact O-N 3.21Å; L38-G41 PolarHBondContact O-N 3.01Å; L38-T42 VanDerWaalsContact O-CB 3.26Å; L38-T42 WeakPolarHBondContact O-CB 3.21Å; L38-T42 PolarHBondContact O-N 3.11Å; L38-T42 PolarHBondContact O-OG1 2.96Å; L38-V57 HydrophobicContact CD2-CG1 4.46Å; L38-S60 WeakPolarHBondContact CD2-OG 3.41Å; L38-S60 WeakPolarHBondContact CG-OG 3.42Å; L38-T72 HydrophobicContact CD1-CG2 4.18Å; L38-V76 HydrophobicContact CD2-CG2 3.77Å |
| 39 | V | 97.9 | Very high | 96.5 | Very high | 91 Ų | 91 | 64 Ų | 64 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.5 | -48.3 | 178.1 | 170 | 0 | 0 | 0 | 0 | 110.5 | I35 I36 T42 L43 | I35-V39 HydrophobicContact CG2-CG2 4.24Å; I35-V39 WeakPolarHBondContact O-CB 3.31Å; I35-V39 VanDerWaalsContact O-CG2 3.31Å; I35-V39 WeakPolarHBondContact O-CG2 3.21Å; I35-V39 PolarHBondContact O-N 3.22Å; I36-V39 PolarHBondContact O-N 3.41Å; V39-T42 PolarHBondContact O-N 3.15Å; V39-L43 WeakPolarHBondContact O-CB 3.37Å; V39-L43 PolarHBondContact O-N 2.8Å |
| 40 | I | 97.2 | Very high | 96.9 | Very high | 40 Ų | 40 | 57 Ų | 57 | 21% | 0.205 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 176.7 | -65.7 | 168.7 | 0 | 0 | 0 | 110 | M11 I36 T42 L43 Y44 F52 R56 | M11-I40 HydrophobicContact CE-CD1 4.15Å; M11-I40 HydrophobicContact SD-CD1 3.64Å; I36-I40 HydrophobicContact CG2-CD1 3.74Å; I36-I40 HydrophobicContact CG2-CG1 4.48Å; I36-I40 VanDerWaalsContact O-CG1 3.29Å; I36-I40 WeakPolarHBondContact O-CG1 3.46Å; I36-I40 PolarHBondContact O-N 3.33Å; I40-T42 PolarHBondContact O-N 2.98Å; I40-L43 PolarHBondContact O-N 2.93Å; I40-Y44 HydrophobicContact CG2-CD2 3.92Å; I40-Y44 HydrophobicContact CG2-CE2 4.03Å; I40-Y44 WeakPolarHBondContact O-CD2 3.48Å; I40-Y44 PolarHBondContact O-N 3.41Å; I40-F52 HydrophobicContact CG2-CE1 3.97Å; I40-R56 HydrophobicContact CG2-CG 4.04Å |
| 41 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N37 L38 L43 Y44 C45 G53 | N37-G41 PolarHBondContact O-N 2.9Å; L38-G41 PolarHBondContact O-N 3.01Å; G41-L43 PolarHBondContact O-N 2.93Å; G41-Y44 PolarHBondContact O-N 3.37Å; G41-C45 PolarHBondContact O-N 3.39Å; G41-C45 PolarHBondContact O-SG 2.94Å; G41-G53 VanDerWaalsContact CA-O 3.22Å; G41-G53 WeakPolarHBondContact CA-O 3.34Å |
| 42 | T | 98.2 | Very high | 97.2 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | L38 V39 I40 Y44 C45 S46 | L38-T42 VanDerWaalsContact O-CB 3.26Å; L38-T42 WeakPolarHBondContact O-CB 3.21Å; L38-T42 PolarHBondContact O-N 3.11Å; L38-T42 PolarHBondContact O-OG1 2.96Å; V39-T42 PolarHBondContact O-N 3.15Å; I40-T42 PolarHBondContact O-N 2.98Å; T42-Y44 VanDerWaalsContact C-N 3.34Å; T42-Y44 PolarHBondContact O-N 3.43Å; T42-C45 PolarHBondContact O-N 3.04Å; T42-S46 PolarHBondContact O-N 3.37Å |
| 43 | L | 97.8 | Very high | 97.3 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.7 | 177.3 | 63.5 | 0 | 0 | 0 | 112.3 | V39 I40 G41 S46 K47 | V39-L43 WeakPolarHBondContact O-CB 3.37Å; V39-L43 PolarHBondContact O-N 2.8Å; I40-L43 PolarHBondContact O-N 2.93Å; G41-L43 PolarHBondContact O-N 2.93Å; L43-S46 PolarHBondContact O-OG 2.78Å; L43-K47 PolarHBondContact O-N 2.95Å |
| 44 | Y | 97.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 53 Ų | 53 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.8 | -37.1 | 177.9 | -88.3 | -98.9 | 0 | 0 | 0 | 112.1 | I40 G41 T42 S46 K47 R48 N49 F52 | I40-Y44 HydrophobicContact CG2-CD2 3.92Å; I40-Y44 HydrophobicContact CG2-CE2 4.03Å; I40-Y44 WeakPolarHBondContact O-CD2 3.48Å; I40-Y44 PolarHBondContact O-N 3.41Å; G41-Y44 PolarHBondContact O-N 3.37Å; T42-Y44 VanDerWaalsContact C-N 3.34Å; T42-Y44 PolarHBondContact O-N 3.43Å; Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 3.47Å; Y44-K47 CarbonylContact O-C 3.54Å; Y44-K47 PolarHBondContact O-N 3.31Å; Y44-R48 PolarHBondContact O-N 3.25Å; Y44-N49 CarbonylContact C-O 3.57Å; Y44-N49 HydrophobicContact CD1-CB 3.93Å; Y44-N49 WeakPolarHBondContact CD1-ND2 3.48Å; Y44-N49 PolarHBondContact O-N 2.95Å; Y44-F52 HydrophobicContact CD1-CB 4.26Å; Y44-F52 AromaticContact CD1-CD1 3.47Å; Y44-F52 HydrophobicContact CD1-CD1 3.47Å; Y44-F52 VanDerWaalsContact CD1-CD1 3.47Å; Y44-F52 HydrophobicContact CD1-CE1 4.19Å; Y44-F52 HydrophobicContact CD1-CG 4.22Å; Y44-F52 AromaticContact CD2-CD1 3.8Å; Y44-F52 HydrophobicContact CD2-CD1 3.8Å; Y44-F52 AromaticContact CD2-CE1 3.86Å; Y44-F52 HydrophobicContact CD2-CE1 3.86Å; Y44-F52 AromaticContact CE1-CD1 3.63Å; Y44-F52 HydrophobicContact CE1-CD1 3.63Å; Y44-F52 HydrophobicContact CE1-CE1 4.03Å; Y44-F52 HydrophobicContact CE1-CG 4.34Å; Y44-F52 AromaticContact CE2-CD1 3.95Å; Y44-F52 HydrophobicContact CE2-CD1 3.95Å; Y44-F52 AromaticContact CE2-CE1 3.67Å; Y44-F52 HydrophobicContact CE2-CE1 3.67Å; Y44-F52 AromaticContact CG-CD1 3.55Å; Y44-F52 HydrophobicContact CG-CD1 3.55Å; Y44-F52 HydrophobicContact CG-CE1 4.11Å; Y44-F52 AromaticContact CZ-CD1 3.86Å; Y44-F52 AromaticContact CZ-CE1 3.76Å |
| 45 | C | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 172.4 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | G41 T42 K47 R48 Y50 | G41-C45 PolarHBondContact O-N 3.39Å; G41-C45 PolarHBondContact O-SG 2.94Å; T42-C45 PolarHBondContact O-N 3.04Å; C45-K47 PolarHBondContact O-N 3.17Å; C45-R48 WeakPolarHBondContact O-CA 3.43Å; C45-R48 PolarHBondContact O-N 3.37Å; C45-Y50 HydrophobicContact CB-CD1 4Å; C45-Y50 HydrophobicContact CB-CE1 3.82Å |
| 46 | S | 96.4 | Very high | 97.4 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.4 | -24.4 | 177.6 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | T42 L43 Y44 R48 | T42-S46 PolarHBondContact O-N 3.37Å; L43-S46 PolarHBondContact O-OG 2.78Å; Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 3.47Å; S46-R48 VanDerWaalsContact C-N 3.3Å |
| 47 | K | 96.2 | Very high | 97.4 | Very high | 152 Ų | 152 | 50.4 Ų | 50.4 | 66% | 0.661 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 11.1 | 172.4 | -64.7 | -175.8 | 179.4 | -175.4 | 0 | 113.5 | L43 Y44 C45 N49 | L43-K47 PolarHBondContact O-N 2.95Å; Y44-K47 CarbonylContact O-C 3.54Å; Y44-K47 PolarHBondContact O-N 3.31Å; C45-K47 PolarHBondContact O-N 3.17Å; K47-N49 PolarHBondContact O-N 3.18Å |
| 48 | R | 94.4 | Very high | 97.5 | Very high | 152 Ų | 152 | 51.7 Ų | 51.7 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 15.2 | -175.9 | -53.9 | -178.3 | 178.6 | -179.4 | -1.6 | 115.1 | Y44 C45 S46 Y50 I92 | Y44-R48 PolarHBondContact O-N 3.25Å; C45-R48 WeakPolarHBondContact O-CA 3.43Å; C45-R48 PolarHBondContact O-N 3.37Å; S46-R48 VanDerWaalsContact C-N 3.3Å; R48-Y50 VanDerWaalsContact C-N 3.33Å; R48-Y50 HydrophobicContact CB-CE2 4.11Å; R48-Y50 HydrophobicContact CG-CE2 4.44Å; R48-Y50 WeakPolarHBondContact O-CD2 3.38Å; R48-Y50 PolarHBondContact O-N 2.73Å; R48-I92 HydrophobicContact CB-CG2 4.38Å |
| 49 | N | 96.2 | Very high | 97.4 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | trans | -90.7 | 74.7 | 171.5 | -174.6 | -9.1 | 0 | 0 | 0 | 109.2 | Y44 K47 G53 | Y44-N49 CarbonylContact C-O 3.57Å; Y44-N49 HydrophobicContact CD1-CB 3.93Å; Y44-N49 WeakPolarHBondContact CD1-ND2 3.48Å; Y44-N49 PolarHBondContact O-N 2.95Å; K47-N49 PolarHBondContact O-N 3.18Å; N49-G53 PolarHBondContact O-N 3.41Å | ||
| 50 | Y | 97.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.7 | -33.8 | -173.7 | -70 | -82.2 | 0 | 0 | 0 | 113.3 | C45 R48 F52 G53 I54 S82 M83 N86 I92 | C45-Y50 HydrophobicContact CB-CD1 4Å; C45-Y50 HydrophobicContact CB-CE1 3.82Å; R48-Y50 VanDerWaalsContact C-N 3.33Å; R48-Y50 HydrophobicContact CB-CE2 4.11Å; R48-Y50 HydrophobicContact CG-CE2 4.44Å; R48-Y50 WeakPolarHBondContact O-CD2 3.38Å; R48-Y50 PolarHBondContact O-N 2.73Å; Y50-F52 PolarHBondContact O-N 3.28Å; Y50-G53 PolarHBondContact O-N 3.29Å; Y50-I54 HydrophobicContact CD1-CG1 4.41Å; Y50-I54 WeakPolarHBondContact O-CB 3.45Å; Y50-I54 WeakPolarHBondContact O-CG1 3.44Å; Y50-I54 PolarHBondContact O-N 3.49Å; Y50-S82 PolarHBondContact OH-O 3.24Å; Y50-S82 PolarHBondContact OH-OG 3.48Å; Y50-M83 HydrophobicContact CD1-CB 3.51Å; Y50-M83 HydrophobicContact CD1-CG 3.79Å; Y50-M83 HydrophobicContact CD1-SD 4.49Å; Y50-M83 VanDerWaalsContact CE1-CA 3.44Å; Y50-M83 HydrophobicContact CE1-CB 3.61Å; Y50-M83 HydrophobicContact CE1-CG 4.3Å; Y50-M83 HydrophobicContact CG-CB 4.2Å; Y50-M83 HydrophobicContact CG-CG 3.99Å; Y50-N86 HydrophobicContact CE2-CB 4.23Å; Y50-N86 PolarHBondContact OH-ND2 3.06Å; Y50-I92 HydrophobicContact CD2-CD1 3.28Å; Y50-I92 HydrophobicContact CD2-CG2 4.29Å; Y50-I92 HydrophobicContact CE2-CD1 3.54Å; Y50-I92 HydrophobicContact CE2-CG2 4.22Å; Y50-I92 HydrophobicContact CG-CD1 4.01Å |
| 51 | E | 97.1 | Very high | 97.3 | Very high | 65 Ų | 65 | 49 Ų | 49 | 30% | 0.304 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.4 | -52 | 179.9 | -61.4 | -164.7 | 157.3 | 0 | 0 | 110.9 | S55 L94 K95 V98 | E51-S55 PolarHBondContact O-N 3.42Å; E51-L94 HydrophobicContact CG-CD2 3.83Å; E51-K95 WeakPolarHBondContact OE1-CD 3.15Å; E51-K95 WeakPolarHBondContact OE1-CE 3.13Å; E51-K95 WeakPolarHBondContact OE1-CG 3.28Å; E51-K95 IonicContact OE1-NZ 3.33Å; E51-K95 PolarHBondContact OE1-NZ 3.05Å; E51-K95 IonicContact OE2-NZ 2.84Å; E51-K95 PolarHBondContact OE2-NZ 3.23Å; E51-V98 HydrophobicContact CB-CG2 4.41Å; E51-V98 HydrophobicContact CG-CG2 4.07Å |
| 52 | F | 96.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.8 | -44.5 | 176.8 | -174.8 | -95.8 | 0 | 0 | 0 | 111.7 | I40 Y44 Y50 I54 S55 R56 | I40-F52 HydrophobicContact CG2-CE1 3.97Å; Y44-F52 HydrophobicContact CD1-CB 4.26Å; Y44-F52 AromaticContact CD1-CD1 3.47Å; Y44-F52 HydrophobicContact CD1-CD1 3.47Å; Y44-F52 VanDerWaalsContact CD1-CD1 3.47Å; Y44-F52 HydrophobicContact CD1-CE1 4.19Å; Y44-F52 HydrophobicContact CD1-CG 4.22Å; Y44-F52 AromaticContact CD2-CD1 3.8Å; Y44-F52 HydrophobicContact CD2-CD1 3.8Å; Y44-F52 AromaticContact CD2-CE1 3.86Å; Y44-F52 HydrophobicContact CD2-CE1 3.86Å; Y44-F52 AromaticContact CE1-CD1 3.63Å; Y44-F52 HydrophobicContact CE1-CD1 3.63Å; Y44-F52 HydrophobicContact CE1-CE1 4.03Å; Y44-F52 HydrophobicContact CE1-CG 4.34Å; Y44-F52 AromaticContact CE2-CD1 3.95Å; Y44-F52 HydrophobicContact CE2-CD1 3.95Å; Y44-F52 AromaticContact CE2-CE1 3.67Å; Y44-F52 HydrophobicContact CE2-CE1 3.67Å; Y44-F52 AromaticContact CG-CD1 3.55Å; Y44-F52 HydrophobicContact CG-CD1 3.55Å; Y44-F52 HydrophobicContact CG-CE1 4.11Å; Y44-F52 AromaticContact CZ-CD1 3.86Å; Y44-F52 AromaticContact CZ-CE1 3.76Å; Y50-F52 PolarHBondContact O-N 3.28Å; F52-I54 PolarHBondContact O-N 3.44Å; F52-S55 PolarHBondContact O-N 3.4Å; F52-S55 PolarHBondContact O-OG 3.21Å; F52-R56 HydrophobicContact CD1-CG 4.28Å; F52-R56 HydrophobicContact CE1-CG 3.85Å; F52-R56 HydrophobicContact CZ-CG 4.07Å; F52-R56 PolarHBondContact O-N 3.18Å |
| 53 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57 | -48.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G41 N49 Y50 R56 V57 | G41-G53 VanDerWaalsContact CA-O 3.22Å; G41-G53 WeakPolarHBondContact CA-O 3.34Å; N49-G53 PolarHBondContact O-N 3.41Å; Y50-G53 PolarHBondContact O-N 3.29Å; G53-R56 PolarHBondContact O-N 3.03Å; G53-V57 WeakPolarHBondContact O-CG2 3.26Å; G53-V57 PolarHBondContact O-N 2.71Å |
| 54 | I | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | -179.8 | -63.3 | -66.7 | 0 | 0 | 0 | 111.4 | Y50 F52 R56 V57 I58 C79 F80 M83 C102 | Y50-I54 HydrophobicContact CD1-CG1 4.41Å; Y50-I54 WeakPolarHBondContact O-CB 3.45Å; Y50-I54 WeakPolarHBondContact O-CG1 3.44Å; Y50-I54 PolarHBondContact O-N 3.49Å; F52-I54 PolarHBondContact O-N 3.44Å; I54-R56 PolarHBondContact O-N 3.17Å; I54-V57 PolarHBondContact O-N 2.85Å; I54-I58 HydrophobicContact CG2-CD1 3.8Å; I54-I58 HydrophobicContact CG2-CG1 4.07Å; I54-I58 WeakPolarHBondContact O-CG1 3.38Å; I54-I58 PolarHBondContact O-N 3.38Å; I54-C79 HydrophobicContact CD1-CB 4.1Å; I54-F80 HydrophobicContact CD1-CD2 4.21Å; I54-F80 HydrophobicContact CD1-CE2 4.17Å; I54-F80 HydrophobicContact CG2-CE2 4.32Å; I54-F80 HydrophobicContact CG2-CZ 3.95Å; I54-M83 HydrophobicContact CD1-CE 4.46Å; I54-M83 HydrophobicContact CD1-SD 4.14Å; I54-M83 HydrophobicContact CG1-SD 3.74Å; I54-C102 VanDerWaalsContact CG2-SG 3.57Å |
| 55 | S | 97.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 53 Ų | 53 | 43% | 0.427 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57 | -38.1 | 174.4 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | E51 F52 K59 | E51-S55 PolarHBondContact O-N 3.42Å; F52-S55 PolarHBondContact O-N 3.4Å; F52-S55 PolarHBondContact O-OG 3.21Å; S55-K59 WeakPolarHBondContact O-CB 3.47Å; S55-K59 PolarHBondContact O-N 3.35Å |
| 56 | R | 97.6 | Very high | 96.2 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 174.6 | -68.8 | -69 | -175.2 | 168.6 | 2.4 | 112 | E8 N37 I40 F52 G53 I54 K59 S60 | E8-R56 IonicContact OE2-CZ 2.82Å; E8-R56 IonicContact OE2-NH2 2.72Å; E8-R56 PolarHBondContact OE2-NH2 2.87Å; N37-R56 WeakPolarHBondContact OD1-CD 3.12Å; N37-R56 PolarHBondContact OD1-NH1 3.21Å; I40-R56 HydrophobicContact CG2-CG 4.04Å; F52-R56 HydrophobicContact CD1-CG 4.28Å; F52-R56 HydrophobicContact CE1-CG 3.85Å; F52-R56 HydrophobicContact CZ-CG 4.07Å; F52-R56 PolarHBondContact O-N 3.18Å; G53-R56 PolarHBondContact O-N 3.03Å; I54-R56 PolarHBondContact O-N 3.17Å; R56-K59 PolarHBondContact O-N 3.22Å; R56-S60 PolarHBondContact O-N 3.27Å |
| 57 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 174 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | L38 G53 I54 S60 V76 C79 F80 | L38-V57 HydrophobicContact CD2-CG1 4.46Å; G53-V57 WeakPolarHBondContact O-CG2 3.26Å; G53-V57 PolarHBondContact O-N 2.71Å; I54-V57 PolarHBondContact O-N 2.85Å; V57-S60 WeakPolarHBondContact O-CB 3.37Å; V57-S60 PolarHBondContact O-N 3.48Å; V57-S60 PolarHBondContact O-OG 3.16Å; V57-V76 HydrophobicContact CG1-CB 4.01Å; V57-V76 HydrophobicContact CG1-CG1 3.85Å; V57-V76 HydrophobicContact CG1-CG2 3.69Å; V57-C79 HydrophobicContact CG2-CB 4.12Å; V57-F80 HydrophobicContact CG1-CE2 4.09Å |
| 58 | I | 98.4 | Very high | 96.1 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 177.8 | -68.5 | 174.9 | 0 | 0 | 0 | 110.4 | I54 S60 L61 F80 F105 | I54-I58 HydrophobicContact CG2-CD1 3.8Å; I54-I58 HydrophobicContact CG2-CG1 4.07Å; I54-I58 WeakPolarHBondContact O-CG1 3.38Å; I54-I58 PolarHBondContact O-N 3.38Å; I58-S60 PolarHBondContact O-N 3.43Å; I58-L61 PolarHBondContact O-N 2.92Å; I58-F80 HydrophobicContact CG1-CZ 4.44Å; I58-F105 HydrophobicContact CB-CD2 4.04Å; I58-F105 HydrophobicContact CB-CE2 4.36Å; I58-F105 HydrophobicContact CB-CG 4.4Å; I58-F105 HydrophobicContact CD1-CB 3.97Å; I58-F105 HydrophobicContact CD1-CG 4.25Å; I58-F105 HydrophobicContact CG1-CB 3.94Å; I58-F105 HydrophobicContact CG1-CD1 4.09Å; I58-F105 HydrophobicContact CG1-CD2 3.81Å; I58-F105 HydrophobicContact CG1-CE2 4.27Å; I58-F105 HydrophobicContact CG1-CG 3.67Å; I58-F105 HydrophobicContact CG2-CB 4.32Å; I58-F105 HydrophobicContact CG2-CD2 3.77Å; I58-F105 HydrophobicContact CG2-CE2 4.41Å; I58-F105 HydrophobicContact CG2-CG 4.27Å |
| 59 | K | 96.7 | Very high | 96 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 37% | 0.37 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.2 | -31.8 | 178.8 | -172.7 | 173.9 | -178.9 | 178.8 | 0 | 112.5 | S55 R56 L61 Q62 | S55-K59 WeakPolarHBondContact O-CB 3.47Å; S55-K59 PolarHBondContact O-N 3.35Å; R56-K59 PolarHBondContact O-N 3.22Å; K59-L61 PolarHBondContact O-N 3.15Å; K59-Q62 PolarHBondContact O-N 2.96Å |
| 60 | S | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -31 | -176.4 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | C34 L38 R56 V57 I58 K67 | C34-S60 WeakPolarHBondContact CB-O 3.29Å; C34-S60 WeakPolarHBondContact O-CB 3.24Å; C34-S60 PolarHBondContact SG-O 2.72Å; L38-S60 WeakPolarHBondContact CD2-OG 3.41Å; L38-S60 WeakPolarHBondContact CG-OG 3.42Å; R56-S60 PolarHBondContact O-N 3.27Å; V57-S60 WeakPolarHBondContact O-CB 3.37Å; V57-S60 PolarHBondContact O-N 3.48Å; V57-S60 PolarHBondContact O-OG 3.16Å; I58-S60 PolarHBondContact O-N 3.43Å; S60-K67 WeakPolarHBondContact O-CD 3.47Å |
| 61 | L | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 1.9 | -174.4 | -59.7 | -166.5 | 0 | 0 | 0 | 114.1 | I58 K59 P63 Y64 L68 V76 F105 | I58-L61 PolarHBondContact O-N 2.92Å; K59-L61 PolarHBondContact O-N 3.15Å; L61-P63 CarbonylContact O-C 2.99Å; L61-Y64 HydrophobicContact CB-CD1 3.95Å; L61-Y64 HydrophobicContact CB-CE1 4.09Å; L61-Y64 WeakPolarHBondContact O-CA 3.32Å; L61-Y64 PolarHBondContact O-N 3.37Å; L61-L68 HydrophobicContact CD1-CD1 3.59Å; L61-V76 HydrophobicContact CD1-CG1 4.49Å; L61-V76 HydrophobicContact CD1-CG2 3.72Å; L61-V76 HydrophobicContact CD2-CG2 4.04Å; L61-V76 HydrophobicContact CG-CG2 3.99Å; L61-F105 HydrophobicContact CB-CE2 4.29Å; L61-F105 HydrophobicContact CD1-CE2 3.85Å; L61-F105 HydrophobicContact CD1-CZ 3.61Å; L61-F105 HydrophobicContact CG-CE2 4.28Å; L61-F105 HydrophobicContact CG-CZ 4.32Å |
| 62 | Q | 93.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 38.5 Ų | 38.5 | 45% | 0.453 | 20% | 0.197 | S | C | . | . | trans | -86.1 | 130.1 | 179.4 | -67.8 | 178.5 | -20.9 | 0 | 0 | 111.4 | K59 Y64 K67 | K59-Q62 PolarHBondContact O-N 2.96Å; Q62-Y64 HydrophobicContact CG-CE2 4.28Å; Q62-K67 VanDerWaalsContact O-CD 3.31Å; Q62-K67 WeakPolarHBondContact O-CD 3.38Å; Q62-K67 WeakPolarHBondContact O-CE 3.43Å; Q62-K67 PolarHBondContact O-NZ 3.06Å | ||
| 63 | P | 94.3 | Very high | 95.6 | Very high | 64 Ų | 64 | 35.1 Ų | 35.1 | 42% | 0.416 | 18% | 0.181 | S | C | . | . | S | Bend | cis | -78 | 138.5 | -6.2 | 32.4 | -34.6 | 0 | 0 | 0 | 112.7 | L61 Q65 K66 K67 | L61-P63 CarbonylContact O-C 2.99Å; P63-Q65 VanDerWaalsContact C-N 3.29Å; P63-Q65 PolarHBondContact O-N 3.21Å; P63-K66 HydrophobicContact CG-CB 4.4Å; P63-K66 HydrophobicContact CG-CD 4.4Å; P63-K66 HydrophobicContact CG-CG 4.49Å; P63-K66 PolarHBondContact O-N 2.82Å; P63-K67 PolarHBondContact O-N 3.38Å |
| 64 | Y | 94.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.5 | -39 | -170.7 | -58.4 | -76.3 | 0 | 0 | 0 | 113 | L61 Q62 K66 K67 L68 F105 E108 F112 | L61-Y64 HydrophobicContact CB-CD1 3.95Å; L61-Y64 HydrophobicContact CB-CE1 4.09Å; L61-Y64 WeakPolarHBondContact O-CA 3.32Å; L61-Y64 PolarHBondContact O-N 3.37Å; Q62-Y64 HydrophobicContact CG-CE2 4.28Å; Y64-K66 PolarHBondContact O-N 2.59Å; Y64-K66 VanDerWaalsContact O-N 3.08Å; Y64-K67 PolarHBondContact O-N 3.33Å; Y64-L68 WeakPolarHBondContact O-CB 3.22Å; Y64-L68 PolarHBondContact O-N 3.04Å; Y64-F105 AromaticContact CE1-CD2 3.85Å; Y64-F105 HydrophobicContact CE1-CD2 3.85Å; Y64-F105 AromaticContact CE1-CE2 3.82Å; Y64-F105 HydrophobicContact CE1-CE2 3.82Å; Y64-E108 HydrophobicContact CD2-CB 4.36Å; Y64-E108 HydrophobicContact CE1-CB 4.37Å; Y64-E108 HydrophobicContact CE2-CB 4Å; Y64-E108 HydrophobicContact CE2-CG 4.22Å; Y64-F112 AromaticContact CD2-CD2 3.86Å; Y64-F112 HydrophobicContact CD2-CD2 3.86Å; Y64-F112 AromaticContact CD2-CE2 3.79Å; Y64-F112 HydrophobicContact CD2-CE2 3.79Å; Y64-F112 AromaticContact CG-CD2 3.79Å; Y64-F112 HydrophobicContact CG-CD2 3.79Å; Y64-F112 HydrophobicContact CG-CE2 4.2Å |
| 65 | Q | 91.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 42.8 Ų | 42.8 | 54% | 0.542 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.8 | -25.9 | -177.2 | -55.8 | 83.3 | -8.1 | 0 | 0 | 113.5 | P63 F112 | P63-Q65 VanDerWaalsContact C-N 3.29Å; P63-Q65 PolarHBondContact O-N 3.21Å; Q65-F112 HydrophobicContact CG-CD1 3.68Å; Q65-F112 HydrophobicContact CG-CE1 3.56Å; Q65-F112 HydrophobicContact CG-CZ 4.41Å |
| 66 | K | 91.8 | Very high | 95.4 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -105.8 | -20.7 | -177.4 | -68.2 | -170.1 | 172.8 | -170.3 | 0 | 114.1 | P26 P63 Y64 H69 | P26-K66 PolarHBondContact O-NZ 3.21Å; P63-K66 HydrophobicContact CG-CB 4.4Å; P63-K66 HydrophobicContact CG-CD 4.4Å; P63-K66 HydrophobicContact CG-CG 4.49Å; P63-K66 PolarHBondContact O-N 2.82Å; Y64-K66 PolarHBondContact O-N 2.59Å; Y64-K66 VanDerWaalsContact O-N 3.08Å; K66-H69 PolarHBondContact O-NE2 3.46Å |
| 67 | K | 94.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 10% | 0.1 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -117.9 | -20.9 | -167.5 | -64.9 | -176 | -179.7 | 172.8 | 0 | 113.6 | F31 C34 S60 Q62 P63 Y64 H69 T72 | F31-K67 HydrophobicContact CE1-CG 4.5Å; C34-K67 HydrophobicContact CB-CD 4.08Å; S60-K67 WeakPolarHBondContact O-CD 3.47Å; Q62-K67 VanDerWaalsContact O-CD 3.31Å; Q62-K67 WeakPolarHBondContact O-CD 3.38Å; Q62-K67 WeakPolarHBondContact O-CE 3.43Å; Q62-K67 PolarHBondContact O-NZ 3.06Å; P63-K67 PolarHBondContact O-N 3.38Å; Y64-K67 PolarHBondContact O-N 3.33Å; K67-H69 PolarHBondContact O-N 3.23Å; K67-T72 WeakPolarHBondContact O-CB 3.44Å; K67-T72 WeakPolarHBondContact O-CG2 3.36Å; K67-T72 PolarHBondContact O-OG1 2.88Å |
| 68 | L | 95.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | trans | -82.1 | 102.2 | 179 | -176.3 | 69.3 | 0 | 0 | 0 | 110.4 | L61 Y64 W73 C109 F112 I136 | L61-L68 HydrophobicContact CD1-CD1 3.59Å; Y64-L68 WeakPolarHBondContact O-CB 3.22Å; Y64-L68 PolarHBondContact O-N 3.04Å; L68-W73 HydrophobicContact CD1-CE3 4.04Å; L68-C109 HydrophobicContact CD1-CB 4.42Å; L68-C109 HydrophobicContact CD2-CB 4.23Å; L68-F112 HydrophobicContact CD2-CB 3.82Å; L68-I136 HydrophobicContact CD1-CD1 4.19Å; L68-I136 HydrophobicContact CD1-CG2 3.94Å; L68-I136 HydrophobicContact CD2-CG2 4.03Å; L68-I136 HydrophobicContact CG-CD1 3.99Å; L68-I136 HydrophobicContact CG-CG2 4.13Å | ||
| 69 | H | 92.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 46 Ų | 46 | 13% | 0.125 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -143 | 170.3 | 178.1 | -62.8 | -60.5 | 0 | 0 | 0 | 109.8 | R29 K66 K67 V71 T72 W73 E116 | R29-H69 PolarHBondContact NH1-NE2 2.87Å; K66-H69 PolarHBondContact O-NE2 3.46Å; K67-H69 PolarHBondContact O-N 3.23Å; H69-V71 PolarHBondContact O-N 3.42Å; H69-V71 VanDerWaalsContact O-N 3.07Å; H69-T72 PolarHBondContact N-OG1 3.28Å; H69-T72 PolarHBondContact O-N 3.28Å; H69-T72 PolarHBondContact O-OG1 2.96Å; H69-T72 VanDerWaalsContact O-OG1 3.08Å; H69-W73 WeakPolarHBondContact O-CB 3.35Å; H69-W73 PolarHBondContact O-N 3.23Å; H69-E116 IonicContact CE1-OE1 3.96Å; H69-E116 IonicContact CE1-OE2 3.62Å; H69-E116 IonicContact CG-OE2 3.81Å; H69-E116 VanDerWaalsContact ND1-CD 3.29Å; H69-E116 IonicContact ND1-OE1 2.7Å; H69-E116 PolarHBondContact ND1-OE1 3.35Å; H69-E116 IonicContact ND1-OE2 3.4Å; H69-E116 PolarHBondContact ND1-OE2 3.21Å |
| 70 | A | 92.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 42 Ų | 42 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -46.8 | -43.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | H74 S117 K119 L120 | A70-H74 WeakPolarHBondContact O-CB 3.26Å; A70-H74 PolarHBondContact O-N 3.02Å; A70-S117 WeakPolarHBondContact CA-O 3.32Å; A70-S117 VanDerWaalsContact CB-O 3.27Å; A70-S117 WeakPolarHBondContact CB-O 3.35Å; A70-K119 WeakPolarHBondContact CB-O 3.16Å; A70-L120 HydrophobicContact CB-CD2 4.43Å |
| 71 | V | 93.1 | Very high | 95.5 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 54% | 0.539 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.2 | -53.2 | -178 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | H69 W73 H74 Y75 L120 | H69-V71 PolarHBondContact O-N 3.42Å; H69-V71 VanDerWaalsContact O-N 3.07Å; V71-W73 VanDerWaalsContact C-N 3.35Å; V71-H74 WeakPolarHBondContact O-CB 3.35Å; V71-H74 PolarHBondContact O-N 2.81Å; V71-Y75 HydrophobicContact CG1-CE2 4.15Å; V71-Y75 WeakPolarHBondContact O-CD2 3.44Å; V71-L120 HydrophobicContact CB-CD2 4.21Å; V71-L120 HydrophobicContact CG2-CD2 3.86Å |
| 72 | T | 96.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | -179.1 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | F31 L38 K67 H69 H74 Y75 V76 | F31-T72 HydrophobicContact CD1-CG2 4.42Å; F31-T72 HydrophobicContact CE1-CG2 4.38Å; L38-T72 HydrophobicContact CD1-CG2 4.18Å; K67-T72 WeakPolarHBondContact O-CB 3.44Å; K67-T72 WeakPolarHBondContact O-CG2 3.36Å; K67-T72 PolarHBondContact O-OG1 2.88Å; H69-T72 PolarHBondContact N-OG1 3.28Å; H69-T72 PolarHBondContact O-N 3.28Å; H69-T72 PolarHBondContact O-OG1 2.96Å; H69-T72 VanDerWaalsContact O-OG1 3.08Å; T72-H74 VanDerWaalsContact C-N 3.31Å; T72-H74 PolarHBondContact O-N 2.99Å; T72-Y75 PolarHBondContact O-N 3.46Å; T72-Y75 VanDerWaalsContact O-N 3.17Å; T72-V76 VanDerWaalsContact O-CG2 3.28Å; T72-V76 WeakPolarHBondContact O-CG2 3.46Å; T72-V76 PolarHBondContact O-N 2.97Å; T72-V76 VanDerWaalsContact O-N 3.07Å |
| 73 | W | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -39 | 175 | -179.6 | -116.2 | 0 | 0 | 0 | 112.7 | L68 H69 V71 Y75 V76 K77 L106 C109 I136 E139 S140 L143 | L68-W73 HydrophobicContact CD1-CE3 4.04Å; H69-W73 WeakPolarHBondContact O-CB 3.35Å; H69-W73 PolarHBondContact O-N 3.23Å; V71-W73 VanDerWaalsContact C-N 3.35Å; W73-Y75 VanDerWaalsContact C-N 3.28Å; W73-Y75 PolarHBondContact O-N 3.47Å; W73-V76 HydrophobicContact CE3-CB 4.09Å; W73-V76 HydrophobicContact CE3-CG1 3.86Å; W73-V76 HydrophobicContact CZ3-CB 4.42Å; W73-V76 HydrophobicContact CZ3-CG1 3.69Å; W73-V76 PolarHBondContact O-N 3.42Å; W73-K77 HydrophobicContact CD2-CB 4.41Å; W73-K77 HydrophobicContact CZ2-CB 4.01Å; W73-K77 WeakPolarHBondContact O-CB 3.38Å; W73-K77 WeakPolarHBondContact O-CG 3.38Å; W73-K77 PolarHBondContact O-N 3.06Å; W73-L106 HydrophobicContact CH2-CD2 3.89Å; W73-L106 HydrophobicContact CZ3-CD2 4.42Å; W73-C109 HydrophobicContact CZ3-CB 4.08Å; W73-I136 HydrophobicContact CB-CD1 3.68Å; W73-I136 HydrophobicContact CB-CG1 4.04Å; W73-I136 HydrophobicContact CD2-CG1 4.39Å; W73-I136 HydrophobicContact CD2-CG2 3.74Å; W73-I136 HydrophobicContact CE3-CG2 4.01Å; W73-I136 HydrophobicContact CG-CB 4.39Å; W73-I136 HydrophobicContact CG-CD1 3.94Å; W73-I136 HydrophobicContact CG-CG1 3.76Å; W73-I136 HydrophobicContact CG-CG2 4.01Å; W73-I136 HydrophobicContact CZ2-CG2 4.49Å; W73-I136 HydrophobicContact CZ3-CG2 4.48Å; W73-E139 HydrophobicContact CZ2-CB 3.92Å; W73-E139 PolarHBondContact NE1-OE2 2.87Å; W73-S140 WeakPolarHBondContact CH2-OG 3.43Å; W73-S140 WeakPolarHBondContact CZ2-OG 3.48Å; W73-L143 HydrophobicContact CH2-CD1 3.91Å; W73-L143 HydrophobicContact CZ2-CD1 3.91Å |
| 74 | H | 95.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 41 Ų | 41 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.8 | -42.1 | 175.8 | 177.6 | 90.2 | 0 | 0 | 0 | 112.4 | A70 V71 T72 R78 L120 | A70-H74 WeakPolarHBondContact O-CB 3.26Å; A70-H74 PolarHBondContact O-N 3.02Å; V71-H74 WeakPolarHBondContact O-CB 3.35Å; V71-H74 PolarHBondContact O-N 2.81Å; T72-H74 VanDerWaalsContact C-N 3.31Å; T72-H74 PolarHBondContact O-N 2.99Å; H74-R78 WeakPolarHBondContact NE2-CD 3.38Å; H74-R78 VanDerWaalsContact O-CG 3.27Å; H74-R78 WeakPolarHBondContact O-CG 3.4Å; H74-R78 PolarHBondContact O-N 3.14Å; H74-L120 HydrophobicContact CB-CD1 4.43Å; H74-L120 HydrophobicContact CB-CD2 4.08Å; H74-L120 HydrophobicContact CB-CG 4.38Å |
| 75 | Y | 96.5 | Very high | 96.1 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 45% | 0.447 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.1 | -38.8 | 177.7 | -67.1 | -77.2 | 0 | 0 | 0 | 112.4 | V71 T72 W73 C79 | V71-Y75 HydrophobicContact CG1-CE2 4.15Å; V71-Y75 WeakPolarHBondContact O-CD2 3.44Å; T72-Y75 PolarHBondContact O-N 3.46Å; T72-Y75 VanDerWaalsContact O-N 3.17Å; W73-Y75 VanDerWaalsContact C-N 3.28Å; W73-Y75 PolarHBondContact O-N 3.47Å; Y75-C79 PolarHBondContact O-N 3.49Å; Y75-C79 PolarHBondContact O-SG 2.97Å; Y75-C79 VanDerWaalsContact O-SG 3.38Å |
| 76 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -56.4 | 176.8 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L38 V57 L61 T72 W73 R78 C79 F80 F105 | L38-V76 HydrophobicContact CD2-CG2 3.77Å; V57-V76 HydrophobicContact CG1-CB 4.01Å; V57-V76 HydrophobicContact CG1-CG1 3.85Å; V57-V76 HydrophobicContact CG1-CG2 3.69Å; L61-V76 HydrophobicContact CD1-CG1 4.49Å; L61-V76 HydrophobicContact CD1-CG2 3.72Å; L61-V76 HydrophobicContact CD2-CG2 4.04Å; L61-V76 HydrophobicContact CG-CG2 3.99Å; T72-V76 VanDerWaalsContact O-CG2 3.28Å; T72-V76 WeakPolarHBondContact O-CG2 3.46Å; T72-V76 PolarHBondContact O-N 2.97Å; T72-V76 VanDerWaalsContact O-N 3.07Å; W73-V76 HydrophobicContact CE3-CB 4.09Å; W73-V76 HydrophobicContact CE3-CG1 3.86Å; W73-V76 HydrophobicContact CZ3-CB 4.42Å; W73-V76 HydrophobicContact CZ3-CG1 3.69Å; W73-V76 PolarHBondContact O-N 3.42Å; V76-R78 PolarHBondContact O-N 3.05Å; V76-R78 VanDerWaalsContact O-N 3.16Å; V76-C79 WeakPolarHBondContact O-CB 3.49Å; V76-C79 PolarHBondContact O-N 3.31Å; V76-F80 HydrophobicContact CG1-CD2 3.92Å; V76-F80 HydrophobicContact CG1-CE2 3.94Å; V76-F80 WeakPolarHBondContact O-CD2 3.45Å; V76-F80 PolarHBondContact O-N 3.45Å; V76-F80 VanDerWaalsContact O-N 3.15Å; V76-F105 HydrophobicContact CG1-CE1 3.62Å; V76-F105 HydrophobicContact CG1-CZ 3.65Å |
| 77 | K | 97.5 | Very high | 96.5 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 13% | 0.13 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -32.9 | -175.4 | 75 | -171.8 | -175.3 | -176.5 | 0 | 112.7 | W73 F80 L81 S118 E139 L143 | W73-K77 HydrophobicContact CD2-CB 4.41Å; W73-K77 HydrophobicContact CZ2-CB 4.01Å; W73-K77 WeakPolarHBondContact O-CB 3.38Å; W73-K77 WeakPolarHBondContact O-CG 3.38Å; W73-K77 PolarHBondContact O-N 3.06Å; K77-F80 PolarHBondContact O-N 2.98Å; K77-L81 WeakPolarHBondContact O-CB 3.02Å; K77-L81 VanDerWaalsContact O-CG 3.24Å; K77-L81 WeakPolarHBondContact O-CG 3.23Å; K77-L81 PolarHBondContact O-N 3.48Å; K77-S118 PolarHBondContact NZ-O 3.11Å; K77-E139 WeakPolarHBondContact CD-OE2 3.3Å; K77-E139 WeakPolarHBondContact CE-OE2 3.42Å; K77-E139 VanDerWaalsContact NZ-CD 3.33Å; K77-E139 IonicContact NZ-OE1 3.77Å; K77-E139 PolarHBondContact NZ-OE1 3.22Å; K77-E139 IonicContact NZ-OE2 2.84Å; K77-E139 PolarHBondContact NZ-OE2 3.01Å; K77-L143 HydrophobicContact CB-CD1 4.24Å |
| 78 | R | 97.5 | Very high | 96.5 | Very high | 154 Ų | 154 | 39.4 Ų | 39.4 | 58% | 0.581 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.1 | -39.9 | 174.6 | -74.9 | -178.7 | 69.3 | -175 | 1 | 112.6 | H74 V76 S82 | H74-R78 WeakPolarHBondContact NE2-CD 3.38Å; H74-R78 VanDerWaalsContact O-CG 3.27Å; H74-R78 WeakPolarHBondContact O-CG 3.4Å; H74-R78 PolarHBondContact O-N 3.14Å; V76-R78 PolarHBondContact O-N 3.05Å; V76-R78 VanDerWaalsContact O-N 3.16Å; R78-S82 VanDerWaalsContact O-CB 3.29Å; R78-S82 WeakPolarHBondContact O-CB 3.31Å; R78-S82 PolarHBondContact O-N 2.79Å |
| 79 | C | 98.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 175.8 | -64.1 | 0 | 0 | 0 | 0 | 111 | I54 V57 Y75 V76 S82 M83 | I54-C79 HydrophobicContact CD1-CB 4.1Å; V57-C79 HydrophobicContact CG2-CB 4.12Å; Y75-C79 PolarHBondContact O-N 3.49Å; Y75-C79 PolarHBondContact O-SG 2.97Å; Y75-C79 VanDerWaalsContact O-SG 3.38Å; V76-C79 WeakPolarHBondContact O-CB 3.49Å; V76-C79 PolarHBondContact O-N 3.31Å; C79-S82 PolarHBondContact O-N 3.41Å; C79-M83 WeakPolarHBondContact O-CB 3.49Å; C79-M83 PolarHBondContact O-N 3.2Å |
| 80 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 177.7 | -82.9 | -101.4 | 0 | 0 | 0 | 112.7 | I54 V57 I58 V76 K77 S82 M83 I84 C102 F105 L106 L143 | I54-F80 HydrophobicContact CD1-CD2 4.21Å; I54-F80 HydrophobicContact CD1-CE2 4.17Å; I54-F80 HydrophobicContact CG2-CE2 4.32Å; I54-F80 HydrophobicContact CG2-CZ 3.95Å; V57-F80 HydrophobicContact CG1-CE2 4.09Å; I58-F80 HydrophobicContact CG1-CZ 4.44Å; V76-F80 HydrophobicContact CG1-CD2 3.92Å; V76-F80 HydrophobicContact CG1-CE2 3.94Å; V76-F80 WeakPolarHBondContact O-CD2 3.45Å; V76-F80 PolarHBondContact O-N 3.45Å; V76-F80 VanDerWaalsContact O-N 3.15Å; K77-F80 PolarHBondContact O-N 2.98Å; F80-S82 VanDerWaalsContact C-N 3.33Å; F80-S82 PolarHBondContact O-N 3.08Å; F80-M83 HydrophobicContact CD1-CE 3.94Å; F80-M83 HydrophobicContact CE1-CE 4.31Å; F80-M83 WeakPolarHBondContact O-CB 3.14Å; F80-M83 PolarHBondContact O-N 3.28Å; F80-I84 WeakPolarHBondContact O-CB 3.46Å; F80-I84 VanDerWaalsContact O-CG1 3.3Å; F80-I84 WeakPolarHBondContact O-CG1 3.3Å; F80-I84 PolarHBondContact O-N 2.96Å; F80-C102 HydrophobicContact CE1-CB 3.76Å; F80-C102 HydrophobicContact CZ-CB 4.49Å; F80-F105 HydrophobicContact CD2-CE1 4.42Å; F80-F105 HydrophobicContact CE1-CD1 4.08Å; F80-F105 HydrophobicContact CE1-CE1 4.46Å; F80-F105 AromaticContact CE2-CD1 3.84Å; F80-F105 HydrophobicContact CE2-CD1 3.84Å; F80-F105 AromaticContact CE2-CE1 3.48Å; F80-F105 HydrophobicContact CE2-CE1 3.48Å; F80-F105 VanDerWaalsContact CE2-CE1 3.48Å; F80-F105 HydrophobicContact CE2-CZ 4.43Å; F80-F105 AromaticContact CZ-CD1 3.32Å; F80-F105 HydrophobicContact CZ-CD1 3.32Å; F80-F105 AromaticContact CZ-CE1 3.51Å; F80-F105 HydrophobicContact CZ-CE1 3.51Å; F80-F105 HydrophobicContact CZ-CG 4.38Å; F80-L106 HydrophobicContact CD1-CD1 3.97Å; F80-L106 HydrophobicContact CD1-CD2 4.19Å; F80-L106 HydrophobicContact CD1-CG 4.26Å; F80-L106 HydrophobicContact CE1-CD1 4Å; F80-L106 HydrophobicContact CE1-CD2 4.22Å; F80-L106 HydrophobicContact CE1-CG 3.99Å; F80-L143 HydrophobicContact CB-CD1 4.3Å |
| 81 | L | 98.4 | Very high | 96.8 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.9 | -75.4 | 168.7 | 0 | 0 | 0 | 111.6 | K77 M83 I84 E85 L143 | K77-L81 WeakPolarHBondContact O-CB 3.02Å; K77-L81 VanDerWaalsContact O-CG 3.24Å; K77-L81 WeakPolarHBondContact O-CG 3.23Å; K77-L81 PolarHBondContact O-N 3.48Å; L81-M83 VanDerWaalsContact C-N 3.34Å; L81-M83 PolarHBondContact O-N 3.26Å; L81-I84 PolarHBondContact O-N 3.3Å; L81-E85 WeakPolarHBondContact O-CB 3.49Å; L81-E85 PolarHBondContact O-N 2.76Å; L81-L143 HydrophobicContact CD2-CD2 3.66Å; L81-L143 HydrophobicContact CG-CD2 4Å |
| 82 | S | 98.2 | Very high | 96.9 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 176 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | Y50 R78 C79 F80 E85 N86 | Y50-S82 PolarHBondContact OH-O 3.24Å; Y50-S82 PolarHBondContact OH-OG 3.48Å; R78-S82 VanDerWaalsContact O-CB 3.29Å; R78-S82 WeakPolarHBondContact O-CB 3.31Å; R78-S82 PolarHBondContact O-N 2.79Å; C79-S82 PolarHBondContact O-N 3.41Å; F80-S82 VanDerWaalsContact C-N 3.33Å; F80-S82 PolarHBondContact O-N 3.08Å; S82-E85 PolarHBondContact O-N 2.7Å; S82-N86 PolarHBondContact O-N 3.49Å; S82-N86 VanDerWaalsContact O-N 3.08Å; S82-N86 PolarHBondContact O-ND2 3.06Å |
| 83 | M | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 175.6 | -177.2 | -178 | 61 | 0 | 0 | 111.4 | Y50 I54 C79 F80 L81 E85 N86 L87 I92 L94 M147 | Y50-M83 HydrophobicContact CD1-CB 3.51Å; Y50-M83 HydrophobicContact CD1-CG 3.79Å; Y50-M83 HydrophobicContact CD1-SD 4.49Å; Y50-M83 VanDerWaalsContact CE1-CA 3.44Å; Y50-M83 HydrophobicContact CE1-CB 3.61Å; Y50-M83 HydrophobicContact CE1-CG 4.3Å; Y50-M83 HydrophobicContact CG-CB 4.2Å; Y50-M83 HydrophobicContact CG-CG 3.99Å; I54-M83 HydrophobicContact CD1-CE 4.46Å; I54-M83 HydrophobicContact CD1-SD 4.14Å; I54-M83 HydrophobicContact CG1-SD 3.74Å; C79-M83 WeakPolarHBondContact O-CB 3.49Å; C79-M83 PolarHBondContact O-N 3.2Å; F80-M83 HydrophobicContact CD1-CE 3.94Å; F80-M83 HydrophobicContact CE1-CE 4.31Å; F80-M83 WeakPolarHBondContact O-CB 3.14Å; F80-M83 PolarHBondContact O-N 3.28Å; L81-M83 VanDerWaalsContact C-N 3.34Å; L81-M83 PolarHBondContact O-N 3.26Å; M83-E85 VanDerWaalsContact C-N 3.3Å; M83-E85 PolarHBondContact O-N 3.06Å; M83-N86 PolarHBondContact O-N 3.03Å; M83-N86 VanDerWaalsContact O-N 3.13Å; M83-L87 HydrophobicContact CG-CD1 4.13Å; M83-L87 WeakPolarHBondContact O-CG 3.18Å; M83-L87 PolarHBondContact O-N 3.02Å; M83-I92 HydrophobicContact CG-CD1 4.24Å; M83-L94 HydrophobicContact CG-CD1 3.77Å; M83-L94 HydrophobicContact SD-CD1 3.47Å; M83-L94 WeakPolarHBondContact SD-CD1 3.45Å; M83-M147 HydrophobicContact CE-CE 3.46Å; M83-M147 VanDerWaalsContact CE-CE 3.46Å; M83-M147 HydrophobicContact CE-SD 3.65Å |
| 84 | I | 97.4 | Very high | 96.6 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.087 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 178.2 | -70.9 | 164 | 0 | 0 | 0 | 110.7 | F80 L81 N86 L87 S88 L143 L146 M147 F150 | F80-I84 WeakPolarHBondContact O-CB 3.46Å; F80-I84 VanDerWaalsContact O-CG1 3.3Å; F80-I84 WeakPolarHBondContact O-CG1 3.3Å; F80-I84 PolarHBondContact O-N 2.96Å; L81-I84 PolarHBondContact O-N 3.3Å; I84-N86 VanDerWaalsContact C-N 3.35Å; I84-N86 PolarHBondContact O-N 2.75Å; I84-L87 PolarHBondContact O-N 3.01Å; I84-S88 WeakPolarHBondContact O-CB 3.27Å; I84-S88 PolarHBondContact O-N 2.85Å; I84-S88 PolarHBondContact O-OG 3.38Å; I84-L143 HydrophobicContact CD1-CD2 3.79Å; I84-L146 HydrophobicContact CD1-CB 4.19Å; I84-L146 HydrophobicContact CD1-CD1 4.47Å; I84-M147 HydrophobicContact CD1-CG 4.14Å; I84-M147 HydrophobicContact CD1-SD 3.83Å; I84-M147 HydrophobicContact CG1-CG 4.35Å; I84-M147 HydrophobicContact CG1-SD 3.41Å; I84-M147 WeakPolarHBondContact CG1-SD 3.24Å; I84-F150 HydrophobicContact CG2-CE2 4.18Å; I84-F150 HydrophobicContact CG2-CZ 4.47Å |
| 85 | E | 97.5 | Very high | 96.5 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 176.1 | -175.2 | -171.3 | 177.5 | 0 | 0 | 111.2 | L81 S82 M83 S88 K89 | L81-E85 WeakPolarHBondContact O-CB 3.49Å; L81-E85 PolarHBondContact O-N 2.76Å; S82-E85 PolarHBondContact O-N 2.7Å; M83-E85 VanDerWaalsContact C-N 3.3Å; M83-E85 PolarHBondContact O-N 3.06Å; E85-S88 PolarHBondContact O-N 2.96Å; E85-S88 PolarHBondContact O-OG 3.31Å; E85-K89 HydrophobicContact CG-CD 4.19Å; E85-K89 WeakPolarHBondContact O-CG 3.47Å; E85-K89 PolarHBondContact O-N 3.2Å; E85-K89 VanDerWaalsContact O-N 3.08Å; E85-K89 IonicContact OE1-NZ 2.64Å; E85-K89 PolarHBondContact OE1-NZ 3.3Å |
| 86 | N | 97.3 | Very high | 96.4 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.3 | -33.2 | -179.2 | -78.5 | -90.5 | 0 | 0 | 0 | 112.9 | Y50 S82 M83 I84 H90 V91 I92 | Y50-N86 HydrophobicContact CE2-CB 4.23Å; Y50-N86 PolarHBondContact OH-ND2 3.06Å; S82-N86 PolarHBondContact O-N 3.49Å; S82-N86 VanDerWaalsContact O-N 3.08Å; S82-N86 PolarHBondContact O-ND2 3.06Å; M83-N86 PolarHBondContact O-N 3.03Å; M83-N86 VanDerWaalsContact O-N 3.13Å; I84-N86 VanDerWaalsContact C-N 3.35Å; I84-N86 PolarHBondContact O-N 2.75Å; N86-H90 PolarHBondContact O-N 2.98Å; N86-V91 HydrophobicContact CB-CB 4.43Å; N86-V91 PolarHBondContact O-N 2.7Å; N86-I92 HydrophobicContact CB-CD1 3.73Å; N86-I92 HydrophobicContact CB-CG1 3.86Å; N86-I92 HydrophobicContact CB-CG2 4.15Å; N86-I92 PolarHBondContact O-N 2.67Å |
| 87 | L | 95.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 171 | -75.7 | 167.3 | 0 | 0 | 0 | 110.9 | M83 I84 K89 H90 I92 L94 L99 F150 | M83-L87 HydrophobicContact CG-CD1 4.13Å; M83-L87 WeakPolarHBondContact O-CG 3.18Å; M83-L87 PolarHBondContact O-N 3.02Å; I84-L87 PolarHBondContact O-N 3.01Å; L87-K89 PolarHBondContact O-N 3.48Å; L87-H90 WeakPolarHBondContact O-CA 3.36Å; L87-H90 PolarHBondContact O-N 3.38Å; L87-I92 HydrophobicContact CD2-CD1 4.31Å; L87-I92 HydrophobicContact CD2-CG1 3.9Å; L87-I92 HydrophobicContact CG-CD1 4.05Å; L87-I92 HydrophobicContact CG-CG1 3.99Å; L87-L94 HydrophobicContact CD1-CD1 4.16Å; L87-L94 HydrophobicContact CD2-CB 4.43Å; L87-L94 HydrophobicContact CD2-CD1 4.2Å; L87-L94 HydrophobicContact CD2-CG 4.07Å; L87-L94 HydrophobicContact CG-CD1 4.41Å; L87-L99 HydrophobicContact CD1-CD2 3.96Å; L87-F150 HydrophobicContact CB-CD1 4.1Å; L87-F150 HydrophobicContact CB-CE1 3.59Å; L87-F150 HydrophobicContact CB-CE2 4.19Å; L87-F150 HydrophobicContact CB-CZ 3.63Å; L87-F150 HydrophobicContact CD1-CD2 4.15Å; L87-F150 HydrophobicContact CD1-CE2 4.21Å; L87-F150 HydrophobicContact CD1-CG 4.35Å; L87-F150 HydrophobicContact CD1-CZ 4.48Å |
| 88 | S | 95.1 | Very high | 96.2 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -28.4 | -179.2 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | I84 E85 H90 | I84-S88 WeakPolarHBondContact O-CB 3.27Å; I84-S88 PolarHBondContact O-N 2.85Å; I84-S88 PolarHBondContact O-OG 3.38Å; E85-S88 PolarHBondContact O-N 2.96Å; E85-S88 PolarHBondContact O-OG 3.31Å; S88-H90 VanDerWaalsContact C-N 3.29Å |
| 89 | K | 96.4 | Very high | 96.1 | Very high | 125 Ų | 125 | 57.7 Ų | 57.7 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2.6 | 174.6 | -68.6 | 175 | 175.9 | 176 | 0 | 113 | E85 L87 V91 | E85-K89 HydrophobicContact CG-CD 4.19Å; E85-K89 WeakPolarHBondContact O-CG 3.47Å; E85-K89 PolarHBondContact O-N 3.2Å; E85-K89 VanDerWaalsContact O-N 3.08Å; E85-K89 IonicContact OE1-NZ 2.64Å; E85-K89 PolarHBondContact OE1-NZ 3.3Å; L87-K89 PolarHBondContact O-N 3.48Å; K89-V91 HydrophobicContact CB-CG2 3.73Å; K89-V91 PolarHBondContact O-N 2.83Å; K89-V91 VanDerWaalsContact O-N 3.13Å |
| 90 | H | 93.5 | Very high | 96 | Very high | 169 Ų | 169 | 61.9 Ų | 61.9 | 78% | 0.782 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 27.3 | -173.9 | -54.9 | -74.9 | 0 | 0 | 0 | 113.9 | N86 L87 S88 | N86-H90 PolarHBondContact O-N 2.98Å; L87-H90 WeakPolarHBondContact O-CA 3.36Å; L87-H90 PolarHBondContact O-N 3.38Å; S88-H90 VanDerWaalsContact C-N 3.29Å |
| 91 | V | 96 | Very high | 95.9 | Very high | 65 Ų | 65 | 66.4 Ų | 66.4 | 39% | 0.394 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -80.6 | -28.2 | 179.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | N86 K89 | N86-V91 HydrophobicContact CB-CB 4.43Å; N86-V91 PolarHBondContact O-N 2.7Å; K89-V91 HydrophobicContact CB-CG2 3.73Å; K89-V91 PolarHBondContact O-N 2.83Å; K89-V91 VanDerWaalsContact O-N 3.13Å |
| 92 | I | 94.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | trans | -128.5 | 156.6 | 176.4 | 68 | 178.4 | 0 | 0 | 0 | 109.8 | R48 Y50 M83 N86 L87 L94 | R48-I92 HydrophobicContact CB-CG2 4.38Å; Y50-I92 HydrophobicContact CD2-CD1 3.28Å; Y50-I92 HydrophobicContact CD2-CG2 4.29Å; Y50-I92 HydrophobicContact CE2-CD1 3.54Å; Y50-I92 HydrophobicContact CE2-CG2 4.22Å; Y50-I92 HydrophobicContact CG-CD1 4.01Å; M83-I92 HydrophobicContact CG-CD1 4.24Å; N86-I92 HydrophobicContact CB-CD1 3.73Å; N86-I92 HydrophobicContact CB-CG1 3.86Å; N86-I92 HydrophobicContact CB-CG2 4.15Å; N86-I92 PolarHBondContact O-N 2.67Å; L87-I92 HydrophobicContact CD2-CD1 4.31Å; L87-I92 HydrophobicContact CD2-CG1 3.9Å; L87-I92 HydrophobicContact CG-CD1 4.05Å; L87-I92 HydrophobicContact CG-CG1 3.99Å; I92-L94 HydrophobicContact CD1-CD1 4.38Å; I92-L94 HydrophobicContact CD1-CG 4.36Å | ||
| 93 | I | 92.7 | Very high | 95.9 | Very high | 159 Ų | 159 | 61.6 Ų | 61.6 | 82% | 0.815 | 32% | 0.319 | S | S | * | . | trans | -126.7 | 134.3 | 170 | -58.6 | 173.1 | 0 | 0 | 0 | 105.9 | ||||
| 94 | L | 95.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | trans | -120 | 152 | 177.8 | -62.4 | 179.2 | 0 | 0 | 0 | 109.5 | E51 M83 L87 I92 L99 | E51-L94 HydrophobicContact CG-CD2 3.83Å; M83-L94 HydrophobicContact CG-CD1 3.77Å; M83-L94 HydrophobicContact SD-CD1 3.47Å; M83-L94 WeakPolarHBondContact SD-CD1 3.45Å; L87-L94 HydrophobicContact CD1-CD1 4.16Å; L87-L94 HydrophobicContact CD2-CB 4.43Å; L87-L94 HydrophobicContact CD2-CD1 4.2Å; L87-L94 HydrophobicContact CD2-CG 4.07Å; L87-L94 HydrophobicContact CG-CD1 4.41Å; I92-L94 HydrophobicContact CD1-CD1 4.38Å; I92-L94 HydrophobicContact CD1-CG 4.36Å; L94-L99 HydrophobicContact CB-CD2 4.31Å; L94-L99 HydrophobicContact CD1-CD2 4.21Å | ||
| 95 | K | 93.8 | Very high | 95.9 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | trans | -67.3 | 145.4 | 171.4 | -63.1 | 165.4 | -169.7 | 136.6 | 0 | 110.4 | E51 S97 V98 L99 | E51-K95 WeakPolarHBondContact OE1-CD 3.15Å; E51-K95 WeakPolarHBondContact OE1-CE 3.13Å; E51-K95 WeakPolarHBondContact OE1-CG 3.28Å; E51-K95 IonicContact OE1-NZ 3.33Å; E51-K95 PolarHBondContact OE1-NZ 3.05Å; E51-K95 IonicContact OE2-NZ 2.84Å; E51-K95 PolarHBondContact OE2-NZ 3.23Å; K95-S97 PolarHBondContact O-N 3.47Å; K95-V98 HydrophobicContact CB-CG2 4.25Å; K95-V98 WeakPolarHBondContact O-CB 3.22Å; K95-V98 PolarHBondContact O-N 3.07Å; K95-L99 PolarHBondContact O-N 3.17Å | ||
| 96 | D | 93.8 | Very high | 95.9 | Very high | 106 Ų | 106 | 59 Ų | 59 | 57% | 0.567 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55.4 | -38 | 176.5 | -59.3 | -7.3 | 0 | 0 | 0 | 112.3 | V98 L99 I100 | D96-V98 PolarHBondContact O-N 2.7Å; D96-L99 WeakPolarHBondContact O-CB 3.45Å; D96-L99 PolarHBondContact O-N 2.87Å; D96-I100 VanDerWaalsContact O-CG1 3.27Å; D96-I100 WeakPolarHBondContact O-CG1 3.44Å; D96-I100 PolarHBondContact O-N 3.35Å |
| 97 | S | 95.1 | Very high | 96 | Very high | 66 Ų | 66 | 60.2 Ų | 60.2 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.9 | -39.1 | 176.4 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | K95 I100 D101 | K95-S97 PolarHBondContact O-N 3.47Å; S97-I100 PolarHBondContact O-N 2.91Å; S97-D101 VanDerWaalsContact O-CG 3.22Å; S97-D101 PolarHBondContact O-N 3.26Å |
| 98 | V | 95.9 | Very high | 96.1 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | E51 K95 D96 I100 D101 C102 | E51-V98 HydrophobicContact CB-CG2 4.41Å; E51-V98 HydrophobicContact CG-CG2 4.07Å; K95-V98 HydrophobicContact CB-CG2 4.25Å; K95-V98 WeakPolarHBondContact O-CB 3.22Å; K95-V98 PolarHBondContact O-N 3.07Å; D96-V98 PolarHBondContact O-N 2.7Å; V98-I100 VanDerWaalsContact C-N 3.35Å; V98-D101 PolarHBondContact O-N 3.09Å; V98-C102 WeakPolarHBondContact O-CB 3.37Å; V98-C102 PolarHBondContact O-N 3.33Å; V98-C102 PolarHBondContact O-SG 2.86Å |
| 99 | L | 96.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 176.1 | -59.5 | 176.4 | 0 | 0 | 0 | 111.5 | L87 L94 K95 D96 C102 I103 M147 F150 I151 | L87-L99 HydrophobicContact CD1-CD2 3.96Å; L94-L99 HydrophobicContact CB-CD2 4.31Å; L94-L99 HydrophobicContact CD1-CD2 4.21Å; K95-L99 PolarHBondContact O-N 3.17Å; D96-L99 WeakPolarHBondContact O-CB 3.45Å; D96-L99 PolarHBondContact O-N 2.87Å; L99-C102 WeakPolarHBondContact O-CB 3.48Å; L99-C102 PolarHBondContact O-N 3.48Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.21Å; L99-M147 HydrophobicContact CB-CE 4.47Å; L99-M147 HydrophobicContact CD2-CE 3.44Å; L99-M147 VanDerWaalsContact CD2-CE 3.44Å; L99-F150 HydrophobicContact CD1-CB 4Å; L99-I151 HydrophobicContact CB-CD1 3.72Å; L99-I151 HydrophobicContact CB-CG1 3.82Å; L99-I151 HydrophobicContact CD1-CG1 3.95Å |
| 100 | I | 96.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.5 | -67.8 | 166.7 | 0 | 0 | 0 | 110.4 | D96 S97 V98 C102 I103 A104 I151 | D96-I100 VanDerWaalsContact O-CG1 3.27Å; D96-I100 WeakPolarHBondContact O-CG1 3.44Å; D96-I100 PolarHBondContact O-N 3.35Å; S97-I100 PolarHBondContact O-N 2.91Å; V98-I100 VanDerWaalsContact C-N 3.35Å; I100-C102 VanDerWaalsContact C-N 3.27Å; I100-C102 PolarHBondContact O-N 3.42Å; I100-I103 PolarHBondContact O-N 2.96Å; I100-I103 VanDerWaalsContact O-N 3.15Å; I100-A104 PolarHBondContact O-N 3.47Å; I100-I151 HydrophobicContact CG1-CD1 3.86Å |
| 101 | D | 97 | Very high | 96.4 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 176.8 | -71.6 | -17.2 | 0 | 0 | 0 | 111.6 | S97 V98 F105 | S97-D101 VanDerWaalsContact O-CG 3.22Å; S97-D101 PolarHBondContact O-N 3.26Å; V98-D101 PolarHBondContact O-N 3.09Å; D101-F105 VanDerWaalsContact O-CB 3.31Å; D101-F105 WeakPolarHBondContact O-CB 3.49Å; D101-F105 PolarHBondContact O-N 3.43Å |
| 102 | C | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.5 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | I54 F80 V98 L99 I100 F105 L106 M147 | I54-C102 VanDerWaalsContact CG2-SG 3.57Å; F80-C102 HydrophobicContact CE1-CB 3.76Å; F80-C102 HydrophobicContact CZ-CB 4.49Å; V98-C102 WeakPolarHBondContact O-CB 3.37Å; V98-C102 PolarHBondContact O-N 3.33Å; V98-C102 PolarHBondContact O-SG 2.86Å; L99-C102 WeakPolarHBondContact O-CB 3.48Å; L99-C102 PolarHBondContact O-N 3.48Å; I100-C102 VanDerWaalsContact C-N 3.27Å; I100-C102 PolarHBondContact O-N 3.42Å; C102-F105 PolarHBondContact O-N 2.98Å; C102-L106 VanDerWaalsContact O-CG 3.27Å; C102-L106 WeakPolarHBondContact O-CG 3.5Å; C102-L106 PolarHBondContact O-N 3.35Å; C102-M147 HydrophobicContact CB-CE 3.72Å |
| 103 | I | 97.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 179.2 | -69.6 | 163.1 | 0 | 0 | 0 | 109.8 | L99 I100 F105 L106 E107 M147 K148 I151 | L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 3.21Å; I100-I103 PolarHBondContact O-N 2.96Å; I100-I103 VanDerWaalsContact O-N 3.15Å; I103-F105 VanDerWaalsContact C-N 3.31Å; I103-F105 PolarHBondContact O-N 3.33Å; I103-L106 PolarHBondContact O-N 2.93Å; I103-L106 VanDerWaalsContact O-N 3.11Å; I103-E107 HydrophobicContact CG2-CG 4.25Å; I103-E107 VanDerWaalsContact O-CG 3.26Å; I103-E107 WeakPolarHBondContact O-CG 3.44Å; I103-E107 PolarHBondContact O-N 3.22Å; I103-M147 HydrophobicContact CD1-CB 4.27Å; I103-M147 HydrophobicContact CG1-CB 3.72Å; I103-K148 HydrophobicContact CD1-CG 3.79Å; I103-K148 HydrophobicContact CG1-CG 4.36Å; I103-I151 HydrophobicContact CD1-CD1 3.37Å; I103-I151 HydrophobicContact CD1-CG1 4.34Å |
| 104 | A | 97.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.1 | -46.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | I100 L106 E107 E108 | I100-A104 PolarHBondContact O-N 3.47Å; A104-L106 PolarHBondContact O-N 3.46Å; A104-E107 PolarHBondContact O-N 3.49Å; A104-E108 WeakPolarHBondContact O-CG 3.29Å; A104-E108 PolarHBondContact O-N 2.9Å |
| 105 | F | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 175.2 | 166.3 | -100.2 | 0 | 0 | 0 | 113.4 | I58 L61 Y64 V76 F80 D101 C102 I103 E107 E108 C109 | I58-F105 HydrophobicContact CB-CD2 4.04Å; I58-F105 HydrophobicContact CB-CE2 4.36Å; I58-F105 HydrophobicContact CB-CG 4.4Å; I58-F105 HydrophobicContact CD1-CB 3.97Å; I58-F105 HydrophobicContact CD1-CG 4.25Å; I58-F105 HydrophobicContact CG1-CB 3.94Å; I58-F105 HydrophobicContact CG1-CD1 4.09Å; I58-F105 HydrophobicContact CG1-CD2 3.81Å; I58-F105 HydrophobicContact CG1-CE2 4.27Å; I58-F105 HydrophobicContact CG1-CG 3.67Å; I58-F105 HydrophobicContact CG2-CB 4.32Å; I58-F105 HydrophobicContact CG2-CD2 3.77Å; I58-F105 HydrophobicContact CG2-CE2 4.41Å; I58-F105 HydrophobicContact CG2-CG 4.27Å; L61-F105 HydrophobicContact CB-CE2 4.29Å; L61-F105 HydrophobicContact CD1-CE2 3.85Å; L61-F105 HydrophobicContact CD1-CZ 3.61Å; L61-F105 HydrophobicContact CG-CE2 4.28Å; L61-F105 HydrophobicContact CG-CZ 4.32Å; Y64-F105 AromaticContact CE1-CD2 3.85Å; Y64-F105 HydrophobicContact CE1-CD2 3.85Å; Y64-F105 AromaticContact CE1-CE2 3.82Å; Y64-F105 HydrophobicContact CE1-CE2 3.82Å; V76-F105 HydrophobicContact CG1-CE1 3.62Å; V76-F105 HydrophobicContact CG1-CZ 3.65Å; F80-F105 HydrophobicContact CD2-CE1 4.42Å; F80-F105 HydrophobicContact CE1-CD1 4.08Å; F80-F105 HydrophobicContact CE1-CE1 4.46Å; F80-F105 AromaticContact CE2-CD1 3.84Å; F80-F105 HydrophobicContact CE2-CD1 3.84Å; F80-F105 AromaticContact CE2-CE1 3.48Å; F80-F105 HydrophobicContact CE2-CE1 3.48Å; F80-F105 VanDerWaalsContact CE2-CE1 3.48Å; F80-F105 HydrophobicContact CE2-CZ 4.43Å; F80-F105 AromaticContact CZ-CD1 3.32Å; F80-F105 HydrophobicContact CZ-CD1 3.32Å; F80-F105 AromaticContact CZ-CE1 3.51Å; F80-F105 HydrophobicContact CZ-CE1 3.51Å; F80-F105 HydrophobicContact CZ-CG 4.38Å; D101-F105 VanDerWaalsContact O-CB 3.31Å; D101-F105 WeakPolarHBondContact O-CB 3.49Å; D101-F105 PolarHBondContact O-N 3.43Å; C102-F105 PolarHBondContact O-N 2.98Å; I103-F105 VanDerWaalsContact C-N 3.31Å; I103-F105 PolarHBondContact O-N 3.33Å; F105-E107 VanDerWaalsContact C-N 3.33Å; F105-E108 PolarHBondContact O-N 2.96Å; F105-C109 WeakPolarHBondContact CZ-SG 3.33Å; F105-C109 PolarHBondContact O-N 3.18Å; F105-C109 PolarHBondContact O-SG 2.94Å |
| 106 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | 178.8 | -70.2 | 168.4 | 0 | 0 | 0 | 111.9 | W73 F80 C102 I103 A104 C109 R110 S140 L143 A144 M147 | W73-L106 HydrophobicContact CH2-CD2 3.89Å; W73-L106 HydrophobicContact CZ3-CD2 4.42Å; F80-L106 HydrophobicContact CD1-CD1 3.97Å; F80-L106 HydrophobicContact CD1-CD2 4.19Å; F80-L106 HydrophobicContact CD1-CG 4.26Å; F80-L106 HydrophobicContact CE1-CD1 4Å; F80-L106 HydrophobicContact CE1-CD2 4.22Å; F80-L106 HydrophobicContact CE1-CG 3.99Å; C102-L106 VanDerWaalsContact O-CG 3.27Å; C102-L106 WeakPolarHBondContact O-CG 3.5Å; C102-L106 PolarHBondContact O-N 3.35Å; I103-L106 PolarHBondContact O-N 2.93Å; I103-L106 VanDerWaalsContact O-N 3.11Å; A104-L106 PolarHBondContact O-N 3.46Å; L106-C109 PolarHBondContact O-N 3.22Å; L106-R110 WeakPolarHBondContact O-CB 3.49Å; L106-R110 PolarHBondContact O-N 3.07Å; L106-S140 WeakPolarHBondContact O-CB 3.17Å; L106-L143 HydrophobicContact CD1-CB 3.82Å; L106-L143 HydrophobicContact CD2-CB 4Å; L106-L143 HydrophobicContact CD2-CD1 4.07Å; L106-A144 HydrophobicContact CB-CB 4.02Å; L106-A144 HydrophobicContact CD1-CB 4.25Å; L106-M147 HydrophobicContact CD1-CG 3.98Å |
| 107 | E | 97.6 | Very high | 95.7 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 173.6 | -63.7 | -75.8 | 163.9 | 0 | 0 | 111.3 | I103 A104 F105 R110 E111 K148 | I103-E107 HydrophobicContact CG2-CG 4.25Å; I103-E107 VanDerWaalsContact O-CG 3.26Å; I103-E107 WeakPolarHBondContact O-CG 3.44Å; I103-E107 PolarHBondContact O-N 3.22Å; A104-E107 PolarHBondContact O-N 3.49Å; F105-E107 VanDerWaalsContact C-N 3.33Å; E107-R110 WeakPolarHBondContact O-CB 3.46Å; E107-R110 PolarHBondContact O-N 3.31Å; E107-R110 IonicContact OE1-NH1 3.67Å; E107-R110 IonicContact OE2-CZ 3Å; E107-R110 IonicContact OE2-NE 3.82Å; E107-R110 IonicContact OE2-NH1 2.67Å; E107-R110 PolarHBondContact OE2-NH1 2.94Å; E107-R110 IonicContact OE2-NH2 2.73Å; E107-R110 PolarHBondContact OE2-NH2 3Å; E107-E111 PolarHBondContact O-N 2.84Å; E107-K148 IonicContact OE1-NZ 2.89Å; E107-K148 PolarHBondContact OE1-NZ 2.84Å |
| 108 | E | 98.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 40% | 0.402 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 171 | -67.2 | -63.5 | 135.2 | 0 | 0 | 111.4 | Y64 A104 F105 R110 E111 F112 | Y64-E108 HydrophobicContact CD2-CB 4.36Å; Y64-E108 HydrophobicContact CE1-CB 4.37Å; Y64-E108 HydrophobicContact CE2-CB 4Å; Y64-E108 HydrophobicContact CE2-CG 4.22Å; A104-E108 WeakPolarHBondContact O-CG 3.29Å; A104-E108 PolarHBondContact O-N 2.9Å; F105-E108 PolarHBondContact O-N 2.96Å; E108-R110 PolarHBondContact O-N 3.06Å; E108-E111 PolarHBondContact O-N 3.08Å; E108-F112 VanDerWaalsContact O-CD2 3.22Å; E108-F112 WeakPolarHBondContact O-CD2 3.36Å; E108-F112 PolarHBondContact O-N 2.62Å; E108-F112 WeakPolarHBondContact OE2-CE2 3.37Å |
| 109 | C | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -32.1 | 174.6 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | L68 W73 F105 L106 G113 S140 | L68-C109 HydrophobicContact CD1-CB 4.42Å; L68-C109 HydrophobicContact CD2-CB 4.23Å; W73-C109 HydrophobicContact CZ3-CB 4.08Å; F105-C109 WeakPolarHBondContact CZ-SG 3.33Å; F105-C109 PolarHBondContact O-N 3.18Å; F105-C109 PolarHBondContact O-SG 2.94Å; L106-C109 PolarHBondContact O-N 3.22Å; C109-G113 VanDerWaalsContact O-CA 3.24Å; C109-G113 WeakPolarHBondContact O-CA 2.94Å; C109-G113 PolarHBondContact O-N 3.2Å; C109-S140 WeakPolarHBondContact CB-OG 3.38Å |
| 110 | R | 96.7 | Very high | 94.4 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 172.7 | -170.3 | -170.7 | 73.2 | -155.3 | -8.7 | 112.1 | L106 E107 E108 K114 A137 | L106-R110 WeakPolarHBondContact O-CB 3.49Å; L106-R110 PolarHBondContact O-N 3.07Å; E107-R110 WeakPolarHBondContact O-CB 3.46Å; E107-R110 PolarHBondContact O-N 3.31Å; E107-R110 IonicContact OE1-NH1 3.67Å; E107-R110 IonicContact OE2-CZ 3Å; E107-R110 IonicContact OE2-NE 3.82Å; E107-R110 IonicContact OE2-NH1 2.67Å; E107-R110 PolarHBondContact OE2-NH1 2.94Å; E107-R110 IonicContact OE2-NH2 2.73Å; E107-R110 PolarHBondContact OE2-NH2 3Å; E108-R110 PolarHBondContact O-N 3.06Å; R110-K114 WeakPolarHBondContact O-CG 3.42Å; R110-A137 HydrophobicContact CG-CB 4.06Å; R110-A137 VanDerWaalsContact O-CB 3.3Å; R110-A137 WeakPolarHBondContact O-CB 3.36Å |
| 111 | E | 96.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 54.3 Ų | 54.3 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.8 | -47.7 | -179.2 | -173 | 54.6 | -145.3 | 0 | 0 | 111.7 | E107 E108 K114 | E107-E111 PolarHBondContact O-N 2.84Å; E108-E111 PolarHBondContact O-N 3.08Å; E111-K114 WeakPolarHBondContact O-CG 3.19Å; E111-K114 IonicContact OE1-NZ 3.96Å; E111-K114 PolarHBondContact OE1-NZ 3.24Å; E111-K114 VanDerWaalsContact OE2-CE 3.23Å; E111-K114 WeakPolarHBondContact OE2-CE 3.27Å; E111-K114 IonicContact OE2-NZ 3.72Å; E111-K114 PolarHBondContact OE2-NZ 3.26Å |
| 112 | F | 96.4 | Very high | 91.7 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -81.4 | -20.3 | -178.6 | -66 | -66.4 | 0 | 0 | 0 | 114 | Y64 Q65 L68 E108 | Y64-F112 AromaticContact CD2-CD2 3.86Å; Y64-F112 HydrophobicContact CD2-CD2 3.86Å; Y64-F112 AromaticContact CD2-CE2 3.79Å; Y64-F112 HydrophobicContact CD2-CE2 3.79Å; Y64-F112 AromaticContact CG-CD2 3.79Å; Y64-F112 HydrophobicContact CG-CD2 3.79Å; Y64-F112 HydrophobicContact CG-CE2 4.2Å; Q65-F112 HydrophobicContact CG-CD1 3.68Å; Q65-F112 HydrophobicContact CG-CE1 3.56Å; Q65-F112 HydrophobicContact CG-CZ 4.41Å; L68-F112 HydrophobicContact CD2-CB 3.82Å; E108-F112 VanDerWaalsContact O-CD2 3.22Å; E108-F112 WeakPolarHBondContact O-CD2 3.36Å; E108-F112 PolarHBondContact O-N 2.62Å; E108-F112 WeakPolarHBondContact OE2-CE2 3.37Å |
| 113 | G | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 11.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C109 L115 E116 A137 | C109-G113 VanDerWaalsContact O-CA 3.24Å; C109-G113 WeakPolarHBondContact O-CA 2.94Å; C109-G113 PolarHBondContact O-N 3.2Å; G113-L115 VanDerWaalsContact C-N 3.31Å; G113-L115 PolarHBondContact O-N 3.08Å; G113-E116 PolarHBondContact O-N 3.18Å; G113-A137 WeakPolarHBondContact O-CB 3.49Å; G113-A137 PolarHBondContact O-N 3.35Å |
| 114 | K | 92.1 | Very high | 88.2 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -60.9 | -38.1 | -175.5 | -71.3 | 174.8 | -177.6 | 165.1 | 0 | 113.3 | R110 E111 A137 | R110-K114 WeakPolarHBondContact O-CG 3.42Å; E111-K114 WeakPolarHBondContact O-CG 3.19Å; E111-K114 IonicContact OE1-NZ 3.96Å; E111-K114 PolarHBondContact OE1-NZ 3.24Å; E111-K114 VanDerWaalsContact OE2-CE 3.23Å; E111-K114 WeakPolarHBondContact OE2-CE 3.27Å; E111-K114 IonicContact OE2-NZ 3.72Å; E111-K114 PolarHBondContact OE2-NZ 3.26Å; K114-A137 HydrophobicContact CG-CB 4.22Å |
| 115 | L | 88.3 | Confident | 86.4 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 80% | 0.796 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -107.4 | -2.8 | -176.3 | -58.6 | 179.9 | 0 | 0 | 0 | 113 | G113 | G113-L115 VanDerWaalsContact C-N 3.31Å; G113-L115 PolarHBondContact O-N 3.08Å |
| 116 | E | 90 | Very high | 84.5 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 29% | 0.29 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -91.4 | 129.7 | -178.9 | -67.6 | -71.1 | 152.5 | 0 | 0 | 110.2 | H69 G113 T135 I136 | H69-E116 IonicContact CE1-OE1 3.96Å; H69-E116 IonicContact CE1-OE2 3.62Å; H69-E116 IonicContact CG-OE2 3.81Å; H69-E116 VanDerWaalsContact ND1-CD 3.29Å; H69-E116 IonicContact ND1-OE1 2.7Å; H69-E116 PolarHBondContact ND1-OE1 3.35Å; H69-E116 IonicContact ND1-OE2 3.4Å; H69-E116 PolarHBondContact ND1-OE2 3.21Å; G113-E116 PolarHBondContact O-N 3.18Å; E116-T135 WeakPolarHBondContact O-CA 3.32Å; E116-I136 HydrophobicContact CB-CB 4.44Å; E116-I136 HydrophobicContact CB-CD1 3.56Å; E116-I136 HydrophobicContact CB-CG1 4.05Å; E116-I136 PolarHBondContact O-N 3.14Å |
| 117 | S | 90.7 | Very high | 82.6 | Confident | 30 Ų | 30 | 81.1 Ų | 81.1 | 21% | 0.21 | 44% | 0.436 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 140 | 174.6 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | A70 K119 T134 I136 | A70-S117 WeakPolarHBondContact CA-O 3.32Å; A70-S117 VanDerWaalsContact CB-O 3.27Å; A70-S117 WeakPolarHBondContact CB-O 3.35Å; S117-K119 VanDerWaalsContact C-N 3.32Å; S117-K119 PolarHBondContact OG-N 2.77Å; S117-T134 WeakPolarHBondContact CA-O 3.31Å; S117-I136 WeakPolarHBondContact O-CG1 3.38Å |
| 118 | S | 90.6 | Very high | 80.8 | Confident | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.007 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -86.2 | -5.7 | 173.1 | 69.2 | 0 | 0 | 0 | 0 | 114 | K77 T134 E139 | K77-S118 PolarHBondContact NZ-O 3.11Å; S118-T134 PolarHBondContact N-O 3.4Å; S118-T134 PolarHBondContact OG-O 3.45Å; S118-E139 WeakPolarHBondContact CB-OE1 3.42Å; S118-E139 VanDerWaalsContact OG-CD 3.3Å; S118-E139 PolarHBondContact OG-OE1 2.6Å |
| 119 | K | 86.5 | Confident | 78.9 | Confident | 88 Ų | 88 | 86.7 Ų | 86.7 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -103.2 | 139.8 | -177.2 | -69.3 | -176.8 | 174.5 | 173.5 | 0 | 111.5 | A70 S117 G121 E128 T134 | A70-K119 WeakPolarHBondContact CB-O 3.16Å; S117-K119 VanDerWaalsContact C-N 3.32Å; S117-K119 PolarHBondContact OG-N 2.77Å; K119-G121 PolarHBondContact O-N 3.32Å; K119-E128 WeakPolarHBondContact CD-OE1 3.4Å; K119-E128 WeakPolarHBondContact CD-OE2 3.15Å; K119-E128 IonicContact NZ-OE1 2.97Å; K119-E128 PolarHBondContact NZ-OE1 3.38Å; K119-T134 HydrophobicContact CD-CG2 4.03Å; K119-T134 VanDerWaalsContact CE-CG2 3.45Å |
| 120 | L | 83.2 | Confident | 77.2 | Confident | 86 Ų | 86 | 92.1 Ų | 92.1 | 45% | 0.45 | 49% | 0.489 | S | S | . | . | trans | -69.4 | 114.8 | 168.4 | -56.4 | 176.9 | 0 | 0 | 0 | 106.8 | A70 V71 H74 N122 | A70-L120 HydrophobicContact CB-CD2 4.43Å; V71-L120 HydrophobicContact CB-CD2 4.21Å; V71-L120 HydrophobicContact CG2-CD2 3.86Å; H74-L120 HydrophobicContact CB-CD1 4.43Å; H74-L120 HydrophobicContact CB-CD2 4.08Å; H74-L120 HydrophobicContact CB-CG 4.38Å; L120-N122 PolarHBondContact O-N 3.03Å | ||
| 121 | G | 68.8 | Low | 75.9 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | trans | -53.6 | 138.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K119 | K119-G121 PolarHBondContact O-N 3.32Š| ||
| 122 | N | 66.2 | Low | 74.6 | Confident | 101 Ų | 101 | 89.4 Ų | 89.4 | 54% | 0.54 | 49% | 0.493 | S | S | . | . | trans | -87.4 | 121.2 | 170.4 | -180 | -1.4 | 0 | 0 | 0 | 108.1 | L120 F124 G125 | L120-N122 PolarHBondContact O-N 3.03Å; N122-F124 PolarHBondContact O-N 2.81Å; N122-F124 VanDerWaalsContact O-N 3.09Å; N122-F124 PolarHBondContact OD1-N 2.94Å; N122-G125 VanDerWaalsContact CG-N 3.35Å; N122-G125 PolarHBondContact O-N 3.29Å | ||
| 123 | P | 59.1 | Low | 73.6 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 78% | 0.779 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25 | 175.7 | -21.8 | 31.2 | 0 | 0 | 0 | 113.6 | ||
| 124 | F | 65.1 | Low | 73.1 | Confident | 194 Ų | 194 | 92.9 Ų | 92.9 | 85% | 0.851 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 3.4 | -179.3 | -52.4 | -76 | 0 | 0 | 0 | 113.1 | N122 | N122-F124 PolarHBondContact O-N 2.81Å; N122-F124 VanDerWaalsContact O-N 3.09Å; N122-F124 PolarHBondContact OD1-N 2.94Å |
| 125 | G | 59.2 | Low | 73.1 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 38% | 0.381 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -86.5 | 152.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N122 | N122-G125 VanDerWaalsContact CG-N 3.35Å; N122-G125 PolarHBondContact O-N 3.29Å |
| 126 | E | 58 | Low | 73.5 | Confident | 185 Ų | 185 | 81.2 Ų | 81.2 | 86% | 0.864 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 152.8 | 165.4 | -66 | 179 | 176.4 | 0 | 0 | 110.4 | E128 | E126-E128 PolarHBondContact O-N 2.89Š|
| 127 | A | 58.8 | Low | 73.8 | Confident | 99 Ų | 99 | 78.9 Ų | 78.9 | 82% | 0.818 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 116.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I129 | A127-I129 PolarHBondContact O-N 3.25Š|
| 128 | E | 59.2 | Low | 74 | Confident | 92 Ų | 92 | 81 Ų | 81 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 129.1 | -176.6 | -68.7 | -161.8 | 125.2 | 0 | 0 | 110.5 | K119 E126 F130 | K119-E128 WeakPolarHBondContact CD-OE1 3.4Å; K119-E128 WeakPolarHBondContact CD-OE2 3.15Å; K119-E128 IonicContact NZ-OE1 2.97Å; K119-E128 PolarHBondContact NZ-OE1 3.38Å; E126-E128 PolarHBondContact O-N 2.89Å; E128-F130 PolarHBondContact O-N 3.39Å |
| 129 | I | 59 | Low | 74.3 | Confident | 152 Ų | 152 | 83.1 Ų | 83.1 | 78% | 0.779 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 117.5 | 171.3 | -57.5 | 173.6 | 0 | 0 | 0 | 107.3 | A127 D131 | A127-I129 PolarHBondContact O-N 3.25Å; I129-D131 VanDerWaalsContact C-N 3.34Å; I129-D131 PolarHBondContact O-N 3.09Å |
| 130 | F | 62.1 | Low | 74.9 | Confident | 114 Ų | 114 | 79 Ų | 79 | 50% | 0.5 | 44% | 0.44 | S | S | . | . | trans | -72.5 | 88.9 | 175.1 | -145.4 | -96.8 | 0 | 0 | 0 | 108.8 | E128 G132 T135 | E128-F130 PolarHBondContact O-N 3.39Å; F130-G132 PolarHBondContact O-N 3.35Å; F130-T135 HydrophobicContact CD1-CG2 4.39Å; F130-T135 HydrophobicContact CE1-CG2 3.45Å; F130-T135 VanDerWaalsContact CE1-CG2 3.45Å; F130-T135 HydrophobicContact CE2-CG2 4.39Å; F130-T135 HydrophobicContact CZ-CG2 3.46Å; F130-T135 VanDerWaalsContact CZ-CG2 3.46Å | ||
| 131 | D | 68.7 | Low | 75.5 | Confident | 94 Ų | 94 | 79.8 Ų | 79.8 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | trans | -83.6 | 1.8 | -178.2 | 73.4 | -6.9 | 0 | 0 | 0 | 113.4 | I129 K133 T134 | I129-D131 VanDerWaalsContact C-N 3.34Å; I129-D131 PolarHBondContact O-N 3.09Å; D131-K133 PolarHBondContact O-N 3.43Å; D131-K133 WeakPolarHBondContact OD1-CA 3.39Å; D131-K133 WeakPolarHBondContact OD1-CB 3.17Å; D131-K133 PolarHBondContact OD1-N 3.49Å; D131-T134 PolarHBondContact OD1-N 3.04Å; D131-T134 VanDerWaalsContact OD1-N 3.08Å | ||
| 132 | G | 68.4 | Low | 76.8 | Confident | 38 Ų | 38 | 80.4 Ų | 80.4 | 39% | 0.392 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 77.6 | -11.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F130 T135 | F130-G132 PolarHBondContact O-N 3.35Å; G132-T135 PolarHBondContact O-OG1 2.93Å |
| 133 | K | 76.2 | Confident | 78.3 | Confident | 127 Ų | 127 | 76.1 Ų | 76.1 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -92.4 | -21.5 | 175.9 | -61.6 | -178.7 | 178.8 | 176.7 | 0 | 112.5 | D131 T135 Y138 | D131-K133 PolarHBondContact O-N 3.43Å; D131-K133 WeakPolarHBondContact OD1-CA 3.39Å; D131-K133 WeakPolarHBondContact OD1-CB 3.17Å; D131-K133 PolarHBondContact OD1-N 3.49Å; K133-T135 PolarHBondContact O-N 3.2Å; K133-Y138 HydrophobicContact CB-CD1 4.47Å; K133-Y138 HydrophobicContact CB-CD2 4.48Å; K133-Y138 HydrophobicContact CB-CE1 4.46Å; K133-Y138 HydrophobicContact CB-CE2 4.42Å; K133-Y138 HydrophobicContact CG-CD2 4.37Å; K133-Y138 HydrophobicContact CG-CE2 4Å; K133-Y138 WeakPolarHBondContact O-CD1 3.24Å |
| 134 | T | 84.9 | Confident | 80.1 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -88.8 | 38.1 | 176.6 | 63 | 0 | 0 | 0 | 0 | 113 | S117 S118 K119 D131 | S117-T134 WeakPolarHBondContact CA-O 3.31Å; S118-T134 PolarHBondContact N-O 3.4Å; S118-T134 PolarHBondContact OG-O 3.45Å; K119-T134 HydrophobicContact CD-CG2 4.03Å; K119-T134 VanDerWaalsContact CE-CG2 3.45Å; D131-T134 PolarHBondContact OD1-N 3.04Å; D131-T134 VanDerWaalsContact OD1-N 3.08Å |
| 135 | T | 92.8 | Very high | 81.5 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -112.1 | 148.9 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 111 | E116 F130 G132 K133 A137 Y138 E139 | E116-T135 WeakPolarHBondContact O-CA 3.32Å; F130-T135 HydrophobicContact CD1-CG2 4.39Å; F130-T135 HydrophobicContact CE1-CG2 3.45Å; F130-T135 VanDerWaalsContact CE1-CG2 3.45Å; F130-T135 HydrophobicContact CE2-CG2 4.39Å; F130-T135 HydrophobicContact CZ-CG2 3.46Å; F130-T135 VanDerWaalsContact CZ-CG2 3.46Å; G132-T135 PolarHBondContact O-OG1 2.93Å; K133-T135 PolarHBondContact O-N 3.2Å; T135-A137 PolarHBondContact O-N 3.03Å; T135-Y138 PolarHBondContact O-N 2.73Å; T135-Y138 VanDerWaalsContact OG1-CB 3.31Å; T135-Y138 WeakPolarHBondContact OG1-CB 3.31Å; T135-Y138 PolarHBondContact OG1-N 3.29Å; T135-E139 PolarHBondContact O-N 2.84Å; T135-E139 VanDerWaalsContact O-N 3.17Å |
| 136 | I | 96 | Very high | 83.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.6 | -37.6 | 172.5 | -65.6 | -178 | 0 | 0 | 0 | 109.7 | L68 W73 E116 S117 Y138 E139 S140 | L68-I136 HydrophobicContact CD1-CD1 4.19Å; L68-I136 HydrophobicContact CD1-CG2 3.94Å; L68-I136 HydrophobicContact CD2-CG2 4.03Å; L68-I136 HydrophobicContact CG-CD1 3.99Å; L68-I136 HydrophobicContact CG-CG2 4.13Å; W73-I136 HydrophobicContact CB-CD1 3.68Å; W73-I136 HydrophobicContact CB-CG1 4.04Å; W73-I136 HydrophobicContact CD2-CG1 4.39Å; W73-I136 HydrophobicContact CD2-CG2 3.74Å; W73-I136 HydrophobicContact CE3-CG2 4.01Å; W73-I136 HydrophobicContact CG-CB 4.39Å; W73-I136 HydrophobicContact CG-CD1 3.94Å; W73-I136 HydrophobicContact CG-CG1 3.76Å; W73-I136 HydrophobicContact CG-CG2 4.01Å; W73-I136 HydrophobicContact CZ2-CG2 4.49Å; W73-I136 HydrophobicContact CZ3-CG2 4.48Å; E116-I136 HydrophobicContact CB-CB 4.44Å; E116-I136 HydrophobicContact CB-CD1 3.56Å; E116-I136 HydrophobicContact CB-CG1 4.05Å; E116-I136 PolarHBondContact O-N 3.14Å; S117-I136 WeakPolarHBondContact O-CG1 3.38Å; I136-Y138 PolarHBondContact O-N 3.21Å; I136-E139 PolarHBondContact O-N 3.4Å; I136-S140 VanDerWaalsContact O-CB 3.26Å; I136-S140 WeakPolarHBondContact O-CB 3.42Å; I136-S140 PolarHBondContact O-N 3.24Å; I136-S140 PolarHBondContact O-OG 3.45Å |
| 137 | A | 96 | Very high | 85 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R110 G113 K114 T135 S140 R141 | R110-A137 HydrophobicContact CG-CB 4.06Å; R110-A137 VanDerWaalsContact O-CB 3.3Å; R110-A137 WeakPolarHBondContact O-CB 3.36Å; G113-A137 WeakPolarHBondContact O-CB 3.49Å; G113-A137 PolarHBondContact O-N 3.35Å; K114-A137 HydrophobicContact CG-CB 4.22Å; T135-A137 PolarHBondContact O-N 3.03Å; A137-S140 PolarHBondContact O-N 3.45Å; A137-R141 WeakPolarHBondContact O-CB 3.38Å; A137-R141 PolarHBondContact O-N 3.04Å |
| 138 | Y | 95.8 | Very high | 86.7 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -52.3 | 177 | -175.9 | -86 | 0 | 0 | 0 | 110.9 | K133 T135 I136 S140 R141 E142 | K133-Y138 HydrophobicContact CB-CD1 4.47Å; K133-Y138 HydrophobicContact CB-CD2 4.48Å; K133-Y138 HydrophobicContact CB-CE1 4.46Å; K133-Y138 HydrophobicContact CB-CE2 4.42Å; K133-Y138 HydrophobicContact CG-CD2 4.37Å; K133-Y138 HydrophobicContact CG-CE2 4Å; K133-Y138 WeakPolarHBondContact O-CD1 3.24Å; T135-Y138 PolarHBondContact O-N 2.73Å; T135-Y138 VanDerWaalsContact OG1-CB 3.31Å; T135-Y138 WeakPolarHBondContact OG1-CB 3.31Å; T135-Y138 PolarHBondContact OG1-N 3.29Å; I136-Y138 PolarHBondContact O-N 3.21Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 3.05Å; Y138-R141 WeakPolarHBondContact O-CB 3.3Å; Y138-R141 PolarHBondContact O-N 3.42Å; Y138-E142 HydrophobicContact CD1-CG 4.17Å; Y138-E142 HydrophobicContact CE1-CG 3.79Å; Y138-E142 WeakPolarHBondContact O-CG 3.26Å; Y138-E142 PolarHBondContact O-N 3.41Å; Y138-E142 VanDerWaalsContact O-N 3.13Å |
| 139 | E | 96.5 | Very high | 88.3 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | -179.5 | -68.8 | -174.1 | -172.7 | 0 | 0 | 112.5 | W73 K77 S118 T135 I136 R141 E142 L143 | W73-E139 HydrophobicContact CZ2-CB 3.92Å; W73-E139 PolarHBondContact NE1-OE2 2.87Å; K77-E139 WeakPolarHBondContact CD-OE2 3.3Å; K77-E139 WeakPolarHBondContact CE-OE2 3.42Å; K77-E139 VanDerWaalsContact NZ-CD 3.33Å; K77-E139 IonicContact NZ-OE1 3.77Å; K77-E139 PolarHBondContact NZ-OE1 3.22Å; K77-E139 IonicContact NZ-OE2 2.84Å; K77-E139 PolarHBondContact NZ-OE2 3.01Å; S118-E139 WeakPolarHBondContact CB-OE1 3.42Å; S118-E139 VanDerWaalsContact OG-CD 3.3Å; S118-E139 PolarHBondContact OG-OE1 2.6Å; T135-E139 PolarHBondContact O-N 2.84Å; T135-E139 VanDerWaalsContact O-N 3.17Å; I136-E139 PolarHBondContact O-N 3.4Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.47Å; E139-E142 PolarHBondContact O-N 3.12Å; E139-L143 WeakPolarHBondContact O-CG 3.2Å; E139-L143 PolarHBondContact O-N 3.22Å |
| 140 | S | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | W73 L106 C109 I136 A137 Y138 L143 A144 | W73-S140 WeakPolarHBondContact CH2-OG 3.43Å; W73-S140 WeakPolarHBondContact CZ2-OG 3.48Å; L106-S140 WeakPolarHBondContact O-CB 3.17Å; C109-S140 WeakPolarHBondContact CB-OG 3.38Å; I136-S140 VanDerWaalsContact O-CB 3.26Å; I136-S140 WeakPolarHBondContact O-CB 3.42Å; I136-S140 PolarHBondContact O-N 3.24Å; I136-S140 PolarHBondContact O-OG 3.45Å; A137-S140 PolarHBondContact O-N 3.45Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 3.05Å; S140-L143 PolarHBondContact O-N 3.06Å; S140-A144 WeakPolarHBondContact O-CB 3.46Å; S140-A144 PolarHBondContact O-N 3.04Å |
| 141 | R | 96.5 | Very high | 90.8 | Very high | 104 Ų | 104 | 51.1 Ų | 51.1 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 175.4 | -175.8 | -168.2 | 71.3 | -167.9 | 1.4 | 111.5 | A137 Y138 E139 L143 A144 V145 | A137-R141 WeakPolarHBondContact O-CB 3.38Å; A137-R141 PolarHBondContact O-N 3.04Å; Y138-R141 WeakPolarHBondContact O-CB 3.3Å; Y138-R141 PolarHBondContact O-N 3.42Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.47Å; R141-L143 VanDerWaalsContact C-N 3.35Å; R141-L143 PolarHBondContact O-N 2.7Å; R141-A144 PolarHBondContact O-N 3.06Å; R141-V145 WeakPolarHBondContact O-CG2 3.32Å; R141-V145 PolarHBondContact O-N 3.43Å |
| 142 | E | 96.3 | Very high | 90.9 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 179.7 | -61.7 | -55 | 117.4 | 0 | 0 | 111.3 | Y138 E139 A144 V145 L146 | Y138-E142 HydrophobicContact CD1-CG 4.17Å; Y138-E142 HydrophobicContact CE1-CG 3.79Å; Y138-E142 WeakPolarHBondContact O-CG 3.26Å; Y138-E142 PolarHBondContact O-N 3.41Å; Y138-E142 VanDerWaalsContact O-N 3.13Å; E139-E142 PolarHBondContact O-N 3.12Å; E142-A144 PolarHBondContact O-N 3.14Å; E142-V145 PolarHBondContact O-N 2.89Å; E142-L146 WeakPolarHBondContact O-CG 3.43Å; E142-L146 PolarHBondContact O-N 3.28Å; E142-L146 VanDerWaalsContact O-N 3.08Å |
| 143 | L | 97.9 | Very high | 90.1 | Very high | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.9 | -69.4 | 174.6 | 0 | 0 | 0 | 111.7 | W73 K77 F80 L81 I84 L106 E139 S140 R141 V145 L146 M147 | W73-L143 HydrophobicContact CH2-CD1 3.91Å; W73-L143 HydrophobicContact CZ2-CD1 3.91Å; K77-L143 HydrophobicContact CB-CD1 4.24Å; F80-L143 HydrophobicContact CB-CD1 4.3Å; L81-L143 HydrophobicContact CD2-CD2 3.66Å; L81-L143 HydrophobicContact CG-CD2 4Å; I84-L143 HydrophobicContact CD1-CD2 3.79Å; L106-L143 HydrophobicContact CD1-CB 3.82Å; L106-L143 HydrophobicContact CD2-CB 4Å; L106-L143 HydrophobicContact CD2-CD1 4.07Å; E139-L143 WeakPolarHBondContact O-CG 3.2Å; E139-L143 PolarHBondContact O-N 3.22Å; S140-L143 PolarHBondContact O-N 3.06Å; R141-L143 VanDerWaalsContact C-N 3.35Å; R141-L143 PolarHBondContact O-N 2.7Å; L143-V145 VanDerWaalsContact C-N 3.32Å; L143-V145 PolarHBondContact O-N 2.93Å; L143-L146 PolarHBondContact O-N 3.18Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 3.41Å |
| 144 | A | 96.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L106 S140 R141 E142 M147 K148 | L106-A144 HydrophobicContact CB-CB 4.02Å; L106-A144 HydrophobicContact CD1-CB 4.25Å; S140-A144 WeakPolarHBondContact O-CB 3.46Å; S140-A144 PolarHBondContact O-N 3.04Å; R141-A144 PolarHBondContact O-N 3.06Å; E142-A144 PolarHBondContact O-N 3.14Å; A144-M147 PolarHBondContact O-N 3.06Å; A144-K148 VanDerWaalsContact O-CG 3.29Å; A144-K148 WeakPolarHBondContact O-CG 3.26Å; A144-K148 PolarHBondContact O-N 3.17Å |
| 145 | V | 95.8 | Very high | 91.1 | Very high | 65 Ų | 65 | 61 Ų | 61 | 39% | 0.394 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | R141 E142 L143 M147 K148 | R141-V145 WeakPolarHBondContact O-CG2 3.32Å; R141-V145 PolarHBondContact O-N 3.43Å; E142-V145 PolarHBondContact O-N 2.89Å; L143-V145 VanDerWaalsContact C-N 3.32Å; L143-V145 PolarHBondContact O-N 2.93Å; V145-M147 VanDerWaalsContact C-N 3.34Å; V145-K148 PolarHBondContact O-N 3.09Å |
| 146 | L | 95.7 | Very high | 91 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.5 | -67 | 175.2 | 0 | 0 | 0 | 111.8 | I84 E142 L143 R149 F150 | I84-L146 HydrophobicContact CD1-CB 4.19Å; I84-L146 HydrophobicContact CD1-CD1 4.47Å; E142-L146 WeakPolarHBondContact O-CG 3.43Å; E142-L146 PolarHBondContact O-N 3.28Å; E142-L146 VanDerWaalsContact O-N 3.08Å; L143-L146 PolarHBondContact O-N 3.18Å; L146-R149 WeakPolarHBondContact O-CB 3.41Å; L146-R149 PolarHBondContact O-N 2.96Å; L146-F150 WeakPolarHBondContact O-CD2 3.47Å |
| 147 | M | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 178.8 | -71.5 | -60.8 | -64.4 | 0 | 0 | 112.6 | M83 I84 L99 C102 I103 L106 L143 A144 V145 R149 F150 | M83-M147 HydrophobicContact CE-CE 3.46Å; M83-M147 VanDerWaalsContact CE-CE 3.46Å; M83-M147 HydrophobicContact CE-SD 3.65Å; I84-M147 HydrophobicContact CD1-CG 4.14Å; I84-M147 HydrophobicContact CD1-SD 3.83Å; I84-M147 HydrophobicContact CG1-CG 4.35Å; I84-M147 HydrophobicContact CG1-SD 3.41Å; I84-M147 WeakPolarHBondContact CG1-SD 3.24Å; L99-M147 HydrophobicContact CB-CE 4.47Å; L99-M147 HydrophobicContact CD2-CE 3.44Å; L99-M147 VanDerWaalsContact CD2-CE 3.44Å; C102-M147 HydrophobicContact CB-CE 3.72Å; I103-M147 HydrophobicContact CD1-CB 4.27Å; I103-M147 HydrophobicContact CG1-CB 3.72Å; L106-M147 HydrophobicContact CD1-CG 3.98Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 3.41Å; A144-M147 PolarHBondContact O-N 3.06Å; V145-M147 VanDerWaalsContact C-N 3.34Å; M147-R149 PolarHBondContact O-N 3.34Å; M147-F150 PolarHBondContact O-N 3.24Å |
| 148 | K | 93.9 | Very high | 90.4 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.5 | -31 | 179.2 | -76 | 168.9 | -172.5 | 172.6 | 0 | 112.9 | I103 E107 A144 V145 F150 I151 E152 | I103-K148 HydrophobicContact CD1-CG 3.79Å; I103-K148 HydrophobicContact CG1-CG 4.36Å; E107-K148 IonicContact OE1-NZ 2.89Å; E107-K148 PolarHBondContact OE1-NZ 2.84Å; A144-K148 VanDerWaalsContact O-CG 3.29Å; A144-K148 WeakPolarHBondContact O-CG 3.26Å; A144-K148 PolarHBondContact O-N 3.17Å; V145-K148 PolarHBondContact O-N 3.09Å; K148-F150 PolarHBondContact O-N 3.44Å; K148-F150 VanDerWaalsContact O-N 3.15Å; K148-I151 PolarHBondContact O-N 3.37Å; K148-E152 PolarHBondContact O-N 3.26Å; K148-E152 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 92.7 | Very high | 90 | Very high | 152 Ų | 152 | 70.8 Ų | 70.8 | 57% | 0.574 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.3 | 176.3 | -63.5 | 178.9 | 179.4 | -169.6 | -1.3 | 114.1 | L146 M147 L153 | L146-R149 WeakPolarHBondContact O-CB 3.41Å; L146-R149 PolarHBondContact O-N 2.96Å; M147-R149 PolarHBondContact O-N 3.34Å; R149-L153 VanDerWaalsContact O-CD1 3.23Å; R149-L153 WeakPolarHBondContact O-CD1 3.49Å; R149-L153 VanDerWaalsContact O-CG 3.27Å; R149-L153 WeakPolarHBondContact O-CG 3.4Å |
| 150 | F | 91.1 | Very high | 89.5 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 23% | 0.232 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.4 | 177.6 | -62.9 | -74.1 | 0 | 0 | 0 | 113.5 | I84 L87 L99 L146 M147 K148 | I84-F150 HydrophobicContact CG2-CE2 4.18Å; I84-F150 HydrophobicContact CG2-CZ 4.47Å; L87-F150 HydrophobicContact CB-CD1 4.1Å; L87-F150 HydrophobicContact CB-CE1 3.59Å; L87-F150 HydrophobicContact CB-CE2 4.19Å; L87-F150 HydrophobicContact CB-CZ 3.63Å; L87-F150 HydrophobicContact CD1-CD2 4.15Å; L87-F150 HydrophobicContact CD1-CE2 4.21Å; L87-F150 HydrophobicContact CD1-CG 4.35Å; L87-F150 HydrophobicContact CD1-CZ 4.48Å; L99-F150 HydrophobicContact CD1-CB 4Å; L146-F150 WeakPolarHBondContact O-CD2 3.47Å; M147-F150 PolarHBondContact O-N 3.24Å; K148-F150 PolarHBondContact O-N 3.44Å; K148-F150 VanDerWaalsContact O-N 3.15Å |
| 151 | I | 83.1 | Confident | 88.9 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -31.5 | 176.2 | -58.6 | -177.5 | 0 | 0 | 0 | 110.9 | L99 I100 I103 K148 L153 | L99-I151 HydrophobicContact CB-CD1 3.72Å; L99-I151 HydrophobicContact CB-CG1 3.82Å; L99-I151 HydrophobicContact CD1-CG1 3.95Å; I100-I151 HydrophobicContact CG1-CD1 3.86Å; I103-I151 HydrophobicContact CD1-CD1 3.37Å; I103-I151 HydrophobicContact CD1-CG1 4.34Å; K148-I151 PolarHBondContact O-N 3.37Å; I151-L153 PolarHBondContact O-N 3.33Å |
| 152 | E | 70.1 | Confident | 88.3 | Confident | 162 Ų | 162 | 76 Ų | 76 | 76% | 0.757 | 36% | 0.363 | S | S | * | . | trans | -74.7 | -4.6 | 177.6 | -68 | 174.8 | -175.9 | 0 | 0 | 113.6 | K148 | K148-E152 PolarHBondContact O-N 3.26Å; K148-E152 VanDerWaalsContact O-N 3.11Å | ||
| 153 | L | 52 | Low | 87.5 | Confident | 197 Ų | 197 | 76.1 Ų | 76.1 | 100% | 1.031 | 37% | 0.365 | S | S | * | . | trans | -103.6 | 0 | 176.4 | -69.7 | 174.5 | 0 | 0 | 0 | 111.1 | R149 I151 | R149-L153 VanDerWaalsContact O-CD1 3.23Å; R149-L153 WeakPolarHBondContact O-CD1 3.49Å; R149-L153 VanDerWaalsContact O-CG 3.27Å; R149-L153 WeakPolarHBondContact O-CG 3.4Å; I151-L153 PolarHBondContact O-N 3.33Å |
Retrieved 153 of 153 residues in 138.9 ms
(Link to these results)