| 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 | 44.8 | Very low | 68.9 | Low | 236 Ų | 236 | 135.4 Ų | 135.4 | 100% | 1.163 | 68% | 0.681 | S | S | * | * | 0 | 114.3 | 0 | -65.1 | 176.1 | -178.7 | 0 | 0 | 107 | T3 | M1-T3 PolarHBondContact O-N 3.3Š| |||
| 2 | V | 42.4 | Very low | 71 | Confident | 131 Ų | 131 | 126.6 Ų | 126.6 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | trans | -81.1 | 103 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | M4 | V2-M4 HydrophobicContact CG1-CE 4.19Å; V2-M4 PolarHBondContact O-N 3.22Å; V2-M4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | T | 60.3 | Low | 72.7 | Confident | 128 Ų | 128 | 121 Ų | 121 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | trans | -64.1 | 109.8 | 176.2 | -48 | 0 | 0 | 0 | 0 | 108.2 | M1 | M1-T3 PolarHBondContact O-N 3.3Š| ||
| 4 | M | 48.8 | Very low | 74.4 | Confident | 139 Ų | 139 | 113 Ų | 113 | 69% | 0.685 | 57% | 0.571 | S | S | * | * | trans | -54.5 | 139.8 | 173.4 | -73 | -72.9 | 105.7 | 0 | 0 | 109.7 | V2 V6 | V2-M4 HydrophobicContact CG1-CE 4.19Å; V2-M4 PolarHBondContact O-N 3.22Å; V2-M4 VanDerWaalsContact O-N 3.11Å; M4-V6 PolarHBondContact O-N 2.87Å | ||
| 5 | P | 58.3 | Low | 75.8 | Confident | 123 Ų | 123 | 105.5 Ų | 105.5 | 80% | 0.799 | 53% | 0.533 | S | S | * | . | trans | -62.9 | 108.9 | 176.9 | -14.9 | 27.4 | 0 | 0 | 0 | 109 | E7 | P5-E7 PolarHBondContact O-N 3.16Š| ||
| 6 | V | 65.1 | Low | 76.9 | Confident | 120 Ų | 120 | 101.3 Ų | 101.3 | 73% | 0.727 | 51% | 0.511 | S | S | * | . | trans | -64 | 117.7 | 168.7 | 176.8 | 0 | 0 | 0 | 0 | 106.7 | M4 R8 | M4-V6 PolarHBondContact O-N 2.87Å; V6-R8 PolarHBondContact O-N 3.45Å | ||
| 7 | E | 76 | Confident | 78 | Confident | 175 Ų | 175 | 101.6 Ų | 101.6 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | trans | -56.8 | 114.1 | 173.1 | 180 | 57.9 | -157.9 | 0 | 0 | 108.1 | P5 M9 | P5-E7 PolarHBondContact O-N 3.16Å; E7-M9 PolarHBondContact O-N 3.4Å | ||
| 8 | R | 83.3 | Confident | 79 | Confident | 164 Ų | 164 | 97.4 Ų | 97.4 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -76 | 118.5 | -174.7 | -69.3 | -170 | -175.4 | 86.8 | -1.8 | 109 | V6 R10 | V6-R8 PolarHBondContact O-N 3.45Å; R8-R10 PolarHBondContact O-N 3.45Å |
| 9 | M | 91.1 | Very high | 79.9 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 27% | 0.266 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 137 | 174.9 | -177.4 | 166.5 | 51.5 | 0 | 0 | 111.4 | E7 P13 W14 E17 H64 | E7-M9 PolarHBondContact O-N 3.4Å; M9-P13 HydrophobicContact CG-CB 4.09Å; M9-P13 HydrophobicContact CG-CG 3.73Å; M9-P13 HydrophobicContact SD-CB 3.84Å; M9-P13 HydrophobicContact SD-CG 4.17Å; M9-W14 HydrophobicContact CE-CB 3.65Å; M9-W14 HydrophobicContact CE-CG 4.07Å; M9-W14 HydrophobicContact CG-CB 4.16Å; M9-W14 HydrophobicContact SD-CB 4.38Å; M9-E17 VanDerWaalsContact CE-CD 3.5Å; M9-E17 HydrophobicContact CE-CG 4.45Å; M9-E17 WeakPolarHBondContact CE-OE2 3.43Å; M9-H64 PolarHBondContact O-NE2 3.25Å |
| 10 | R | 92.9 | Very high | 80.7 | Confident | 207 Ų | 207 | 92.1 Ų | 92.1 | 78% | 0.781 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 158.3 | 178.8 | -57.7 | -177.1 | 95.5 | 133.3 | 3 | 111.1 | R8 R12 P13 W14 | R8-R10 PolarHBondContact O-N 3.45Å; R10-R12 PolarHBondContact O-N 3.46Å; R10-P13 HydrophobicContact CB-CG 4.14Å; R10-P13 VanDerWaalsContact O-CD 3.23Å; R10-P13 WeakPolarHBondContact O-CD 3.49Å; R10-P13 VanDerWaalsContact O-CG 3.32Å; R10-P13 WeakPolarHBondContact O-CG 3.49Å; R10-W14 VanDerWaalsContact O-CB 3.25Å; R10-W14 WeakPolarHBondContact O-CB 3.28Å; R10-W14 PolarHBondContact O-N 3.47Å; R10-W14 VanDerWaalsContact O-N 3.1Å |
| 11 | M | 94.5 | Very high | 81.3 | Confident | 12 Ų | 12 | 89.7 Ų | 89.7 | 6% | 0.059 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -55.8 | -46.1 | -175.3 | 174.7 | 43.8 | -170.5 | 0 | 0 | 113.9 | W14 L15 W61 F84 A87 M88 L91 | M11-W14 HydrophobicContact CE-CE3 4.43Å; M11-W14 HydrophobicContact CE-CZ3 4.44Å; M11-W14 PolarHBondContact O-N 3.49Å; M11-W14 HydrophobicContact SD-CE3 3.67Å; M11-W14 HydrophobicContact SD-CZ3 4.1Å; M11-L15 HydrophobicContact CE-CB 3.73Å; M11-L15 HydrophobicContact CE-CD1 4.11Å; M11-L15 HydrophobicContact CE-CD2 3.6Å; M11-L15 HydrophobicContact CE-CG 4Å; M11-L15 WeakPolarHBondContact O-CB 3.39Å; M11-L15 PolarHBondContact O-N 2.72Å; M11-L15 HydrophobicContact SD-CB 4.16Å; M11-W61 HydrophobicContact CB-CH2 3.5Å; M11-W61 HydrophobicContact CB-CZ2 3.92Å; M11-W61 HydrophobicContact CB-CZ3 4.13Å; M11-W61 HydrophobicContact CG-CH2 4.11Å; M11-W61 HydrophobicContact CG-CZ2 4.25Å; M11-W61 HydrophobicContact CG-CZ3 4.49Å; M11-W61 HydrophobicContact SD-CD2 4.1Å; M11-W61 HydrophobicContact SD-CE3 3.83Å; M11-W61 HydrophobicContact SD-CH2 3.88Å; M11-W61 HydrophobicContact SD-CZ2 4.11Å; M11-W61 HydrophobicContact SD-CZ3 3.71Å; M11-F84 HydrophobicContact CE-CD2 4.12Å; M11-F84 HydrophobicContact CE-CE2 3.34Å; M11-F84 HydrophobicContact CE-CZ 3.6Å; M11-F84 HydrophobicContact SD-CE2 4.31Å; M11-A87 HydrophobicContact CG-CB 4.26Å; M11-M88 HydrophobicContact CE-CG 3.62Å; M11-M88 HydrophobicContact CE-SD 4.22Å; M11-L91 HydrophobicContact CB-CD1 4.09Å; M11-L91 HydrophobicContact CG-CD1 3.74Å |
| 12 | R | 93.9 | Very high | 83.5 | Confident | 30 Ų | 30 | 83 Ų | 83 | 11% | 0.113 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.8 | -60 | -178.7 | 174.9 | 174.6 | 176.4 | 156.9 | 5.2 | 113.4 | R10 W14 L15 E16 L91 D93 M114 L115 | R10-R12 PolarHBondContact O-N 3.46Å; R12-W14 PolarHBondContact O-N 3Å; R12-L15 PolarHBondContact O-N 3.28Å; R12-L15 VanDerWaalsContact O-N 3.15Å; R12-E16 IonicContact CZ-OE1 3.04Å; R12-E16 IonicContact NE-OE1 3.61Å; R12-E16 PolarHBondContact NE-OE1 3.34Å; R12-E16 IonicContact NH2-OE1 3.13Å; R12-E16 PolarHBondContact O-N 2.92Å; R12-L91 HydrophobicContact CB-CD1 4.25Å; R12-D93 WeakPolarHBondContact CD-OD2 3.45Å; R12-D93 IonicContact CZ-OD2 3.75Å; R12-D93 IonicContact NE-OD2 2.59Å; R12-D93 VanDerWaalsContact NH1-CB 3.3Å; R12-D93 IonicContact NH1-OD2 2.68Å; R12-D93 PolarHBondContact NH1-OD2 2.96Å; R12-M114 HydrophobicContact CG-SD 4.38Å; R12-L115 PolarHBondContact NH1-O 3.25Å; R12-L115 PolarHBondContact NH2-O 3.26Å; R12-L115 VanDerWaalsContact NH2-O 3.11Å |
| 13 | P | 94.1 | Very high | 85.8 | Confident | 54 Ų | 54 | 82.6 Ų | 82.6 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 179.7 | 22.6 | -32.6 | 0 | 0 | 0 | 111.9 | M9 R10 L15 E16 E17 | M9-P13 HydrophobicContact CG-CB 4.09Å; M9-P13 HydrophobicContact CG-CG 3.73Å; M9-P13 HydrophobicContact SD-CB 3.84Å; M9-P13 HydrophobicContact SD-CG 4.17Å; R10-P13 HydrophobicContact CB-CG 4.14Å; R10-P13 VanDerWaalsContact O-CD 3.23Å; R10-P13 WeakPolarHBondContact O-CD 3.49Å; R10-P13 VanDerWaalsContact O-CG 3.32Å; R10-P13 WeakPolarHBondContact O-CG 3.49Å; P13-L15 PolarHBondContact O-N 3.18Å; P13-E16 PolarHBondContact O-N 3.35Å; P13-E17 PolarHBondContact O-N 2.96Å |
| 14 | W | 95.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 3% | 0.034 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 173.1 | 179.9 | 90.4 | 0 | 0 | 0 | 112.9 | M9 R10 M11 R12 E17 Q18 L57 R60 W61 H64 F84 | M9-W14 HydrophobicContact CE-CB 3.65Å; M9-W14 HydrophobicContact CE-CG 4.07Å; M9-W14 HydrophobicContact CG-CB 4.16Å; M9-W14 HydrophobicContact SD-CB 4.38Å; R10-W14 VanDerWaalsContact O-CB 3.25Å; R10-W14 WeakPolarHBondContact O-CB 3.28Å; R10-W14 PolarHBondContact O-N 3.47Å; R10-W14 VanDerWaalsContact O-N 3.1Å; M11-W14 HydrophobicContact CE-CE3 4.43Å; M11-W14 HydrophobicContact CE-CZ3 4.44Å; M11-W14 PolarHBondContact O-N 3.49Å; M11-W14 HydrophobicContact SD-CE3 3.67Å; M11-W14 HydrophobicContact SD-CZ3 4.1Å; R12-W14 PolarHBondContact O-N 3Å; W14-E17 PolarHBondContact O-N 3.17Å; W14-Q18 HydrophobicContact CD2-CG 3.98Å; W14-Q18 HydrophobicContact CE3-CG 4.06Å; W14-Q18 HydrophobicContact CH2-CG 3.7Å; W14-Q18 HydrophobicContact CZ2-CG 3.61Å; W14-Q18 HydrophobicContact CZ3-CG 3.91Å; W14-Q18 WeakPolarHBondContact O-CG 3.42Å; W14-Q18 PolarHBondContact O-N 3.42Å; W14-L57 HydrophobicContact CH2-CD1 3.8Å; W14-L57 HydrophobicContact CZ3-CD1 3.99Å; W14-R60 HydrophobicContact CH2-CB 4.39Å; W14-R60 HydrophobicContact CZ2-CB 3.91Å; W14-W61 HydrophobicContact CB-CZ3 4.14Å; W14-W61 AromaticContact CD2-CE3 3.45Å; W14-W61 HydrophobicContact CD2-CE3 3.45Å; W14-W61 VanDerWaalsContact CD2-CE3 3.45Å; W14-W61 AromaticContact CD2-CZ3 3.71Å; W14-W61 HydrophobicContact CD2-CZ3 3.71Å; W14-W61 AromaticContact CE2-CE3 3.75Å; W14-W61 HydrophobicContact CE3-CD2 4.35Å; W14-W61 AromaticContact CE3-CE3 3.4Å; W14-W61 HydrophobicContact CE3-CE3 3.4Å; W14-W61 AromaticContact CE3-CZ3 3.83Å; W14-W61 HydrophobicContact CE3-CZ3 3.83Å; W14-W61 HydrophobicContact CG-CE3 4.07Å; W14-W61 AromaticContact CG-CZ3 3.85Å; W14-W61 HydrophobicContact CG-CZ3 3.85Å; W14-W61 HydrophobicContact CH2-CB 3.54Å; W14-W61 HydrophobicContact CH2-CD2 4.46Å; W14-W61 AromaticContact CH2-CE3 3.97Å; W14-W61 HydrophobicContact CH2-CE3 3.97Å; W14-W61 HydrophobicContact CH2-CG 4.35Å; W14-W61 HydrophobicContact CZ2-CB 4.01Å; W14-W61 HydrophobicContact CZ2-CE3 4Å; W14-W61 HydrophobicContact CZ3-CB 4.06Å; W14-W61 HydrophobicContact CZ3-CD2 4.27Å; W14-W61 AromaticContact CZ3-CE3 3.69Å; W14-W61 HydrophobicContact CZ3-CE3 3.69Å; W14-W61 HydrophobicContact CZ3-CG 4.46Å; W14-H64 AromaticContact CD1-CD2 3.57Å; W14-H64 AromaticContact CD1-CE1 3.55Å; W14-H64 AromaticContact CD1-CG 3.41Å; W14-H64 VanDerWaalsContact CD1-CG 3.41Å; W14-H64 AromaticContact CD1-ND1 3.42Å; W14-H64 AromaticContact CD1-NE2 3.63Å; W14-H64 AromaticContact NE1-CD2 3.86Å; W14-H64 AromaticContact NE1-CG 3.34Å; W14-H64 VanDerWaalsContact NE1-CG 3.34Å; W14-H64 AromaticContact NE1-ND1 3.57Å; W14-F84 HydrophobicContact CZ3-CE2 4.02Å |
| 15 | L | 95.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | 179 | -176.4 | 62 | 0 | 0 | 0 | 111.3 | M11 R12 P13 E17 Q18 I19 F37 L57 F84 M88 I94 M114 | M11-L15 HydrophobicContact CE-CB 3.73Å; M11-L15 HydrophobicContact CE-CD1 4.11Å; M11-L15 HydrophobicContact CE-CD2 3.6Å; M11-L15 HydrophobicContact CE-CG 4Å; M11-L15 WeakPolarHBondContact O-CB 3.39Å; M11-L15 PolarHBondContact O-N 2.72Å; M11-L15 HydrophobicContact SD-CB 4.16Å; R12-L15 PolarHBondContact O-N 3.28Å; R12-L15 VanDerWaalsContact O-N 3.15Å; P13-L15 PolarHBondContact O-N 3.18Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.03Å; L15-Q18 PolarHBondContact O-N 3.36Å; L15-I19 HydrophobicContact CD1-CD1 4.36Å; L15-I19 HydrophobicContact CD1-CG1 4.38Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 HydrophobicContact CG-CG1 4.43Å; L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.08Å; L15-I19 PolarHBondContact O-N 3.13Å; L15-F37 HydrophobicContact CD2-CE2 3.69Å; L15-F37 HydrophobicContact CD2-CZ 3.65Å; L15-F37 HydrophobicContact CG-CE2 4.43Å; L15-L57 HydrophobicContact CD1-CD1 4.25Å; L15-F84 HydrophobicContact CD1-CE2 4.47Å; L15-F84 HydrophobicContact CD1-CZ 4.18Å; L15-M88 HydrophobicContact CD2-SD 4.07Å; L15-I94 HydrophobicContact CD2-CD1 4.24Å; L15-M114 HydrophobicContact CB-CE 4.49Å; L15-M114 HydrophobicContact CD2-CE 4.07Å; L15-M114 HydrophobicContact CG-CE 4.17Å |
| 16 | E | 94.3 | Very high | 91 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.1 | -46 | 174.2 | -71.9 | -174.6 | -161.6 | 0 | 0 | 111 | R12 P13 I19 N20 W29 R35 M114 | R12-E16 IonicContact CZ-OE1 3.04Å; R12-E16 IonicContact NE-OE1 3.61Å; R12-E16 PolarHBondContact NE-OE1 3.34Å; R12-E16 IonicContact NH2-OE1 3.13Å; R12-E16 PolarHBondContact O-N 2.92Å; P13-E16 PolarHBondContact O-N 3.35Å; E16-I19 PolarHBondContact O-N 3.07Å; E16-N20 WeakPolarHBondContact O-CB 3.23Å; E16-N20 PolarHBondContact O-N 2.9Å; E16-N20 PolarHBondContact O-ND2 3.42Å; E16-N20 VanDerWaalsContact O-ND2 3.13Å; E16-W29 HydrophobicContact CG-CH2 4.47Å; E16-R35 IonicContact OE1-NH1 2.71Å; E16-R35 PolarHBondContact OE1-NH1 3.36Å; E16-R35 VanDerWaalsContact OE1-NH1 3.13Å; E16-R35 IonicContact OE2-NH1 3.64Å; E16-R35 PolarHBondContact OE2-NH1 3.11Å; E16-M114 HydrophobicContact CG-CE 3.57Å; E16-M114 HydrophobicContact CG-SD 3.3Å; E16-M114 WeakPolarHBondContact CG-SD 3.32Å |
| 17 | E | 95.4 | Very high | 92.5 | Very high | 106 Ų | 106 | 64.6 Ų | 64.6 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175 | -74.2 | -178 | -168.2 | 0 | 0 | 112.7 | M9 P13 W14 L15 I19 N20 S21 | M9-E17 VanDerWaalsContact CE-CD 3.5Å; M9-E17 HydrophobicContact CE-CG 4.45Å; M9-E17 WeakPolarHBondContact CE-OE2 3.43Å; P13-E17 PolarHBondContact O-N 2.96Å; W14-E17 PolarHBondContact O-N 3.17Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 3.03Å; E17-I19 VanDerWaalsContact C-N 3.31Å; E17-I19 PolarHBondContact O-N 3.28Å; E17-N20 PolarHBondContact O-N 3.11Å; E17-S21 WeakPolarHBondContact O-CB 3.34Å; E17-S21 PolarHBondContact O-N 3.46Å |
| 18 | Q | 95.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 178.5 | -66.5 | -46.3 | -70.8 | 0 | 0 | 111.9 | W14 L15 S21 L27 L57 | W14-Q18 HydrophobicContact CD2-CG 3.98Å; W14-Q18 HydrophobicContact CE3-CG 4.06Å; W14-Q18 HydrophobicContact CH2-CG 3.7Å; W14-Q18 HydrophobicContact CZ2-CG 3.61Å; W14-Q18 HydrophobicContact CZ3-CG 3.91Å; W14-Q18 WeakPolarHBondContact O-CG 3.42Å; W14-Q18 PolarHBondContact O-N 3.42Å; L15-Q18 PolarHBondContact O-N 3.36Å; Q18-S21 PolarHBondContact O-N 3.08Å; Q18-S21 PolarHBondContact O-OG 3.04Å; Q18-L27 HydrophobicContact CB-CD2 4.1Å; Q18-L57 HydrophobicContact CB-CD1 4.35Å |
| 19 | I | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 176.5 | -58.4 | 156.9 | 0 | 0 | 0 | 110.6 | L15 E16 E17 S21 C22 L27 W29 F37 M114 | L15-I19 HydrophobicContact CD1-CD1 4.36Å; L15-I19 HydrophobicContact CD1-CG1 4.38Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 HydrophobicContact CG-CG1 4.43Å; L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.08Å; L15-I19 PolarHBondContact O-N 3.13Å; E16-I19 PolarHBondContact O-N 3.07Å; E17-I19 VanDerWaalsContact C-N 3.31Å; E17-I19 PolarHBondContact O-N 3.28Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 3.16Å; I19-C22 PolarHBondContact O-N 2.71Å; I19-L27 HydrophobicContact CB-CG 4.48Å; I19-L27 HydrophobicContact CG1-CD1 3.76Å; I19-L27 HydrophobicContact CG1-CD2 4.15Å; I19-L27 HydrophobicContact CG1-CG 3.88Å; I19-W29 HydrophobicContact CB-CZ2 4.21Å; I19-W29 HydrophobicContact CD1-CH2 4.14Å; I19-W29 HydrophobicContact CD1-CZ2 4.15Å; I19-W29 HydrophobicContact CG2-CD2 3.79Å; I19-W29 HydrophobicContact CG2-CG 3.8Å; I19-W29 HydrophobicContact CG2-CZ2 4.11Å; I19-F37 HydrophobicContact CD1-CB 3.88Å; I19-F37 HydrophobicContact CD1-CD1 4.05Å; I19-F37 HydrophobicContact CD1-CD2 3.51Å; I19-F37 HydrophobicContact CD1-CE1 4.5Å; I19-F37 HydrophobicContact CD1-CE2 3.99Å; I19-F37 HydrophobicContact CD1-CG 3.53Å; I19-F37 HydrophobicContact CD1-CZ 4.44Å; I19-F37 HydrophobicContact CG1-CD2 4.33Å; I19-F37 HydrophobicContact CG2-CB 4.42Å; I19-M114 HydrophobicContact CD1-CE 3.79Å |
| 20 | N | 95.1 | Very high | 94.2 | Very high | 89 Ų | 89 | 57.1 Ų | 57.1 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -30.3 | 178.4 | -71.4 | -29 | 0 | 0 | 0 | 112.9 | E16 E17 C22 W29 | E16-N20 WeakPolarHBondContact O-CB 3.23Å; E16-N20 PolarHBondContact O-N 2.9Å; E16-N20 PolarHBondContact O-ND2 3.42Å; E16-N20 VanDerWaalsContact O-ND2 3.13Å; E17-N20 PolarHBondContact O-N 3.11Å; N20-C22 PolarHBondContact O-N 2.86Å; N20-W29 PolarHBondContact OD1-NE1 2.68Å |
| 21 | S | 93.8 | Very high | 94.3 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.8 | -21.4 | 178.4 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | E17 Q18 I19 Q23 | E17-S21 WeakPolarHBondContact O-CB 3.34Å; E17-S21 PolarHBondContact O-N 3.46Å; Q18-S21 PolarHBondContact O-N 3.08Å; Q18-S21 PolarHBondContact O-OG 3.04Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 3.16Å; S21-Q23 WeakPolarHBondContact O-CG 3.5Å; S21-Q23 PolarHBondContact O-N 2.79Å |
| 22 | C | 91.3 | Very high | 94.2 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 19.2 | -177.5 | -63.8 | 0 | 0 | 0 | 0 | 114.9 | I19 N20 I24 | I19-C22 PolarHBondContact O-N 2.71Å; N20-C22 PolarHBondContact O-N 2.86Å; C22-I24 VanDerWaalsContact C-N 3.34Å |
| 23 | Q | 90.6 | Very high | 94.1 | Very high | 123 Ų | 123 | 63.2 Ų | 63.2 | 58% | 0.575 | 33% | 0.334 | S | S | * | . | trans | -78.4 | -20.4 | -176 | -66.2 | 178.7 | 23.6 | 0 | 0 | 113.1 | S21 R60 | S21-Q23 WeakPolarHBondContact O-CG 3.5Å; S21-Q23 PolarHBondContact O-N 2.79Å; Q23-R60 VanDerWaalsContact OE1-CZ 3.27Å | ||
| 24 | I | 92.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -101.2 | 120.5 | -176.4 | -64.7 | 155.8 | 0 | 0 | 0 | 108.6 | C22 G26 L27 P56 L57 | C22-I24 VanDerWaalsContact C-N 3.34Å; I24-G26 PolarHBondContact O-N 2.68Å; I24-L27 HydrophobicContact CB-CB 3.91Å; I24-L27 HydrophobicContact CB-CD2 4.08Å; I24-L27 HydrophobicContact CD1-CD2 3.7Å; I24-L27 HydrophobicContact CG2-CB 3.86Å; I24-L27 HydrophobicContact CG2-CD2 4.48Å; I24-L27 PolarHBondContact O-N 3.02Å; I24-P56 HydrophobicContact CG1-CB 4.46Å; I24-P56 HydrophobicContact CG1-CG 4.46Å; I24-P56 HydrophobicContact CG2-CG 4.04Å; I24-L57 HydrophobicContact CD1-CB 3.87Å; I24-L57 HydrophobicContact CD1-CD1 3.71Å; I24-L57 HydrophobicContact CD1-CG 4.37Å; I24-L57 HydrophobicContact CG2-CB 4.34Å |
| 25 | P | 92.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 71.2 Ų | 71.2 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 131 | -178.2 | 24.6 | -33.3 | 0 | 0 | 0 | 110.5 | L27 P40 | P25-L27 PolarHBondContact O-N 3.29Å; P25-P40 VanDerWaalsContact O-CG 3.29Å; P25-P40 WeakPolarHBondContact O-CG 3.45Å |
| 26 | G | 92.1 | Very high | 93.8 | Very high | 35 Ų | 35 | 72 Ų | 72 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -9.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I24 K28 Q38 P40 | I24-G26 PolarHBondContact O-N 2.68Å; G26-K28 PolarHBondContact O-N 3.28Å; G26-Q38 PolarHBondContact O-NE2 2.59Å; G26-Q38 VanDerWaalsContact O-NE2 3.16Å; G26-P40 VanDerWaalsContact C-CG 3.47Å |
| 27 | L | 95.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | trans | -82.6 | 105.4 | 166.8 | 179.5 | 68.9 | 0 | 0 | 0 | 109 | Q18 I19 I24 P25 Q38 I39 L57 | Q18-L27 HydrophobicContact CB-CD2 4.1Å; I19-L27 HydrophobicContact CB-CG 4.48Å; I19-L27 HydrophobicContact CG1-CD1 3.76Å; I19-L27 HydrophobicContact CG1-CD2 4.15Å; I19-L27 HydrophobicContact CG1-CG 3.88Å; I24-L27 HydrophobicContact CB-CB 3.91Å; I24-L27 HydrophobicContact CB-CD2 4.08Å; I24-L27 HydrophobicContact CD1-CD2 3.7Å; I24-L27 HydrophobicContact CG2-CB 3.86Å; I24-L27 HydrophobicContact CG2-CD2 4.48Å; I24-L27 PolarHBondContact O-N 3.02Å; P25-L27 PolarHBondContact O-N 3.29Å; L27-Q38 WeakPolarHBondContact CD1-O 3.39Å; L27-I39 HydrophobicContact CD1-CB 4.43Å; L27-I39 HydrophobicContact CD1-CG1 3.72Å; L27-L57 HydrophobicContact CD1-CD2 4.12Å; L27-L57 HydrophobicContact CD2-CD1 3.88Å; L27-L57 HydrophobicContact CD2-CD2 4.34Å | ||
| 28 | K | 95.4 | Very high | 94 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 48% | 0.478 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 157.6 | -175.3 | 61.6 | -178.3 | 178.6 | -180 | 0 | 113.2 | G26 V30 F37 Q38 | G26-K28 PolarHBondContact O-N 3.28Å; K28-V30 PolarHBondContact O-N 3.13Å; K28-F37 VanDerWaalsContact O-CA 3.28Å; K28-F37 WeakPolarHBondContact O-CA 3.44Å; K28-F37 WeakPolarHBondContact O-CB 3.42Å; K28-Q38 HydrophobicContact CG-CG 3.7Å; K28-Q38 PolarHBondContact N-O 3.45Å; K28-Q38 PolarHBondContact O-N 3.15Å |
| 29 | W | 96.3 | Very high | 94 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 121.7 | 165.5 | -65.2 | 109.7 | 0 | 0 | 0 | 109.6 | E16 I19 N20 K32 R35 F37 M114 | E16-W29 HydrophobicContact CG-CH2 4.47Å; I19-W29 HydrophobicContact CB-CZ2 4.21Å; I19-W29 HydrophobicContact CD1-CH2 4.14Å; I19-W29 HydrophobicContact CD1-CZ2 4.15Å; I19-W29 HydrophobicContact CG2-CD2 3.79Å; I19-W29 HydrophobicContact CG2-CG 3.8Å; I19-W29 HydrophobicContact CG2-CZ2 4.11Å; N20-W29 PolarHBondContact OD1-NE1 2.68Å; W29-K32 HydrophobicContact CB-CB 4.3Å; W29-K32 HydrophobicContact CG-CB 4.36Å; W29-K32 HydrophobicContact CG-CG 4.36Å; W29-R35 HydrophobicContact CH2-CB 4.34Å; W29-R35 HydrophobicContact CZ3-CB 3.84Å; W29-R35 HydrophobicContact CZ3-CG 4.48Å; W29-F37 HydrophobicContact CD2-CB 4.4Å; W29-F37 HydrophobicContact CE3-CB 3.76Å; W29-F37 HydrophobicContact CE3-CD1 4.47Å; W29-F37 HydrophobicContact CH2-CD1 4.45Å; W29-F37 HydrophobicContact CZ3-CB 3.97Å; W29-F37 AromaticContact CZ3-CD1 3.84Å; W29-F37 HydrophobicContact CZ3-CD1 3.84Å; W29-F37 HydrophobicContact CZ3-CG 4.27Å; W29-M114 HydrophobicContact CH2-CE 4.06Å; W29-M114 HydrophobicContact CH2-SD 4.1Å |
| 30 | V | 94.8 | Very high | 94 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 46% | 0.461 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -38.2 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | K28 I36 Q38 | K28-V30 PolarHBondContact O-N 3.13Å; V30-I36 HydrophobicContact CB-CG2 4.19Å; V30-I36 PolarHBondContact N-O 2.83Å; V30-Q38 HydrophobicContact CG2-CB 3.85Å; V30-Q38 HydrophobicContact CG2-CG 3.77Å |
| 31 | N | 94.7 | Very high | 94 | Very high | 50 Ų | 50 | 64 Ų | 64 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 108.8 | 171.5 | -176.5 | -47.5 | 0 | 0 | 0 | 108.7 | E33 K34 R35 I36 | N31-E33 WeakPolarHBondContact OD1-CB 3.36Å; N31-E33 PolarHBondContact OD1-N 3.34Å; N31-E33 VanDerWaalsContact OD1-N 3.11Å; N31-K34 HydrophobicContact CB-CB 4.41Å; N31-K34 PolarHBondContact OD1-N 2.97Å; N31-R35 PolarHBondContact O-N 3.38Å; N31-R35 VanDerWaalsContact O-N 3.16Å; N31-I36 HydrophobicContact CB-CB 4.18Å; N31-I36 HydrophobicContact CB-CD1 4.46Å; N31-I36 PolarHBondContact N-O 3.32Å; N31-I36 PolarHBondContact O-N 2.81Å |
| 32 | K | 92.7 | Very high | 94 | Very high | 151 Ų | 151 | 62.6 Ų | 62.6 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -36.9 | -176.6 | -168.3 | 175.9 | -178.7 | -179.3 | 0 | 112.3 | W29 R35 | W29-K32 HydrophobicContact CB-CB 4.3Å; W29-K32 HydrophobicContact CG-CB 4.36Å; W29-K32 HydrophobicContact CG-CG 4.36Å; K32-R35 PolarHBondContact O-N 3.46Å |
| 33 | E | 91.3 | Very high | 94 | Very high | 177 Ų | 177 | 63.5 Ų | 63.5 | 83% | 0.827 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -45 | -179.6 | -58.2 | 176.2 | 177.9 | 0 | 0 | 111.8 | N31 R35 | N31-E33 WeakPolarHBondContact OD1-CB 3.36Å; N31-E33 PolarHBondContact OD1-N 3.34Å; N31-E33 VanDerWaalsContact OD1-N 3.11Å; E33-R35 PolarHBondContact O-N 3.01Å |
| 34 | K | 90.6 | Very high | 94 | Very high | 126 Ų | 126 | 60.1 Ų | 60.1 | 55% | 0.548 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 4.3 | 177.8 | -62.8 | -177.1 | 178.9 | 177.8 | 0 | 113 | N31 I36 | N31-K34 HydrophobicContact CB-CB 4.41Å; N31-K34 PolarHBondContact OD1-N 2.97Å; K34-I36 HydrophobicContact CB-CD1 3.82Å; K34-I36 HydrophobicContact CB-CG1 3.85Å; K34-I36 HydrophobicContact CD-CD1 4.36Å; K34-I36 PolarHBondContact O-N 3.43Å |
| 35 | R | 94.1 | Very high | 93.9 | Very high | 105 Ų | 105 | 63.9 Ų | 63.9 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 46.4 | -171.6 | -57.8 | -159.7 | -172.4 | -179.6 | 6.3 | 113.5 | E16 W29 N31 K32 E33 M114 | E16-R35 IonicContact OE1-NH1 2.71Å; E16-R35 PolarHBondContact OE1-NH1 3.36Å; E16-R35 VanDerWaalsContact OE1-NH1 3.13Å; E16-R35 IonicContact OE2-NH1 3.64Å; E16-R35 PolarHBondContact OE2-NH1 3.11Å; W29-R35 HydrophobicContact CH2-CB 4.34Å; W29-R35 HydrophobicContact CZ3-CB 3.84Å; W29-R35 HydrophobicContact CZ3-CG 4.48Å; N31-R35 PolarHBondContact O-N 3.38Å; N31-R35 VanDerWaalsContact O-N 3.16Å; K32-R35 PolarHBondContact O-N 3.46Å; E33-R35 PolarHBondContact O-N 3.01Å; R35-M114 HydrophobicContact CB-CB 3.9Å; R35-M114 HydrophobicContact CB-CG 4.44Å; R35-M114 PolarHBondContact O-N 2.93Å |
| 36 | I | 95.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 64.9 Ų | 64.9 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.8 | 173.9 | -56.5 | 174.4 | 0 | 0 | 0 | 108 | V30 N31 K34 V111 Y112 K113 | V30-I36 HydrophobicContact CB-CG2 4.19Å; V30-I36 PolarHBondContact N-O 2.83Å; N31-I36 HydrophobicContact CB-CB 4.18Å; N31-I36 HydrophobicContact CB-CD1 4.46Å; N31-I36 PolarHBondContact N-O 3.32Å; N31-I36 PolarHBondContact O-N 2.81Å; K34-I36 HydrophobicContact CB-CD1 3.82Å; K34-I36 HydrophobicContact CB-CG1 3.85Å; K34-I36 HydrophobicContact CD-CD1 4.36Å; K34-I36 PolarHBondContact O-N 3.43Å; I36-V111 HydrophobicContact CG2-CG1 3.47Å; I36-V111 VanDerWaalsContact CG2-CG1 3.47Å; I36-Y112 WeakPolarHBondContact CA-O 3.16Å; I36-K113 HydrophobicContact CG1-CB 4.2Å; I36-K113 HydrophobicContact CG1-CD 4.29Å; I36-K113 HydrophobicContact CG1-CG 3.95Å |
| 37 | F | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 160.8 | -179 | 63.4 | -81.1 | 0 | 0 | 0 | 110.2 | L15 I19 K28 W29 I39 I94 V111 Y112 M114 | L15-F37 HydrophobicContact CD2-CE2 3.69Å; L15-F37 HydrophobicContact CD2-CZ 3.65Å; L15-F37 HydrophobicContact CG-CE2 4.43Å; I19-F37 HydrophobicContact CD1-CB 3.88Å; I19-F37 HydrophobicContact CD1-CD1 4.05Å; I19-F37 HydrophobicContact CD1-CD2 3.51Å; I19-F37 HydrophobicContact CD1-CE1 4.5Å; I19-F37 HydrophobicContact CD1-CE2 3.99Å; I19-F37 HydrophobicContact CD1-CG 3.53Å; I19-F37 HydrophobicContact CD1-CZ 4.44Å; I19-F37 HydrophobicContact CG1-CD2 4.33Å; I19-F37 HydrophobicContact CG2-CB 4.42Å; K28-F37 VanDerWaalsContact O-CA 3.28Å; K28-F37 WeakPolarHBondContact O-CA 3.44Å; K28-F37 WeakPolarHBondContact O-CB 3.42Å; W29-F37 HydrophobicContact CD2-CB 4.4Å; W29-F37 HydrophobicContact CE3-CB 3.76Å; W29-F37 HydrophobicContact CE3-CD1 4.47Å; W29-F37 HydrophobicContact CH2-CD1 4.45Å; W29-F37 HydrophobicContact CZ3-CB 3.97Å; W29-F37 AromaticContact CZ3-CD1 3.84Å; W29-F37 HydrophobicContact CZ3-CD1 3.84Å; W29-F37 HydrophobicContact CZ3-CG 4.27Å; F37-I39 HydrophobicContact CD2-CD1 4.36Å; F37-I39 HydrophobicContact CD2-CG1 3.99Å; F37-I39 HydrophobicContact CE2-CD1 3.71Å; F37-I39 HydrophobicContact CE2-CG1 3.85Å; F37-I94 HydrophobicContact CZ-CG2 4.24Å; F37-V111 WeakPolarHBondContact O-CA 3.47Å; F37-Y112 WeakPolarHBondContact CD1-O 3.25Å; F37-Y112 HydrophobicContact CE2-CD2 4.16Å; F37-Y112 HydrophobicContact CE2-CG 4.22Å; F37-Y112 HydrophobicContact CZ-CD2 4.49Å; F37-Y112 HydrophobicContact CZ-CG 4.1Å; F37-Y112 PolarHBondContact N-O 3.1Å; F37-Y112 PolarHBondContact O-N 3.44Å; F37-M114 HydrophobicContact CD1-CE 3.87Å; F37-M114 HydrophobicContact CD1-CG 4.04Å; F37-M114 HydrophobicContact CE1-CE 3.39Å; F37-M114 HydrophobicContact CE1-CG 3.43Å; F37-M114 VanDerWaalsContact CE1-CG 3.43Å; F37-M114 HydrophobicContact CE1-SD 4.23Å; F37-M114 HydrophobicContact CZ-CE 3.73Å; F37-M114 HydrophobicContact CZ-CG 4.38Å |
| 38 | Q | 96.5 | Very high | 93.5 | Very high | 30 Ų | 30 | 74.9 Ų | 74.9 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.6 | 176.1 | 58.3 | 170.5 | 84.9 | 0 | 0 | 110.6 | G26 L27 K28 V30 F109 R110 V111 | G26-Q38 PolarHBondContact O-NE2 2.59Å; G26-Q38 VanDerWaalsContact O-NE2 3.16Å; L27-Q38 WeakPolarHBondContact CD1-O 3.39Å; K28-Q38 HydrophobicContact CG-CG 3.7Å; K28-Q38 PolarHBondContact N-O 3.45Å; K28-Q38 PolarHBondContact O-N 3.15Å; V30-Q38 HydrophobicContact CG2-CB 3.85Å; V30-Q38 HydrophobicContact CG2-CG 3.77Å; Q38-F109 HydrophobicContact CB-CD2 4.22Å; Q38-R110 CarbonylContact C-O 3.54Å; Q38-R110 VanDerWaalsContact CA-O 3.31Å; Q38-R110 WeakPolarHBondContact CA-O 3.32Å; Q38-V111 HydrophobicContact CB-CG2 4.34Å |
| 39 | I | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126 | 173.9 | -58.3 | 175 | 0 | 0 | 0 | 108.7 | L27 F37 W41 L57 F84 M88 F109 R110 Y112 | L27-I39 HydrophobicContact CD1-CB 4.43Å; L27-I39 HydrophobicContact CD1-CG1 3.72Å; F37-I39 HydrophobicContact CD2-CD1 4.36Å; F37-I39 HydrophobicContact CD2-CG1 3.99Å; F37-I39 HydrophobicContact CE2-CD1 3.71Å; F37-I39 HydrophobicContact CE2-CG1 3.85Å; I39-W41 HydrophobicContact CB-CE3 4.11Å; I39-W41 HydrophobicContact CB-CZ3 4.24Å; I39-W41 HydrophobicContact CD1-CZ3 4.34Å; I39-W41 HydrophobicContact CG2-CE3 3.7Å; I39-W41 HydrophobicContact CG2-CZ3 3.78Å; I39-W41 PolarHBondContact O-N 3.35Å; I39-L57 HydrophobicContact CD1-CD2 4.36Å; I39-L57 HydrophobicContact CG1-CD2 4.37Å; I39-L57 HydrophobicContact CG2-CD2 3.48Å; I39-L57 VanDerWaalsContact CG2-CD2 3.48Å; I39-F84 HydrophobicContact CD1-CE1 3.94Å; I39-F84 HydrophobicContact CD1-CZ 3.95Å; I39-M88 HydrophobicContact CD1-CE 3.9Å; I39-M88 HydrophobicContact CD1-SD 3.61Å; I39-F109 CarbonylContact O-C 3.44Å; I39-F109 VanDerWaalsContact O-CA 3.26Å; I39-F109 WeakPolarHBondContact O-CA 3.3Å; I39-F109 WeakPolarHBondContact O-CB 3.47Å; I39-R110 PolarHBondContact N-O 2.83Å; I39-R110 PolarHBondContact O-N 3.05Å; I39-Y112 HydrophobicContact CD1-CD2 3.9Å; I39-Y112 HydrophobicContact CD1-CE2 4.01Å; I39-Y112 HydrophobicContact CG1-CD2 4.27Å |
| 40 | P | 94.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 73.3 Ų | 73.3 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 132.7 | 169.5 | -21.5 | 32.6 | 0 | 0 | 0 | 111.2 | P25 G26 | P25-P40 VanDerWaalsContact O-CG 3.29Å; P25-P40 WeakPolarHBondContact O-CG 3.45Å; G26-P40 VanDerWaalsContact C-CG 3.47Å |
| 41 | W | 94.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 72.2 Ų | 72.2 | 11% | 0.106 | 37% | 0.367 | C | S | . | . | trans | -134.3 | 35.8 | -171.6 | -143.2 | -86.8 | 0 | 0 | 0 | 113.6 | I39 F58 K81 F84 R85 M88 A108 R110 | I39-W41 HydrophobicContact CB-CE3 4.11Å; I39-W41 HydrophobicContact CB-CZ3 4.24Å; I39-W41 HydrophobicContact CD1-CZ3 4.34Å; I39-W41 HydrophobicContact CG2-CE3 3.7Å; I39-W41 HydrophobicContact CG2-CZ3 3.78Å; I39-W41 PolarHBondContact O-N 3.35Å; W41-F58 HydrophobicContact CE3-CE1 4.49Å; W41-F58 HydrophobicContact CE3-CZ 4.2Å; W41-F58 HydrophobicContact CH2-CE1 4.1Å; W41-F58 HydrophobicContact CH2-CZ 4.45Å; W41-F58 AromaticContact CZ3-CE1 4Å; W41-F58 HydrophobicContact CZ3-CE1 4Å; W41-F58 HydrophobicContact CZ3-CZ 4.16Å; W41-K81 VanDerWaalsContact NE1-CE 3.33Å; W41-F84 AromaticContact CH2-CD1 3.78Å; W41-F84 HydrophobicContact CH2-CD1 3.78Å; W41-F84 AromaticContact CH2-CE1 3.93Å; W41-F84 HydrophobicContact CH2-CE1 3.93Å; W41-F84 HydrophobicContact CZ3-CD1 4.17Å; W41-F84 AromaticContact CZ3-CE1 3.89Å; W41-F84 HydrophobicContact CZ3-CE1 3.89Å; W41-R85 HydrophobicContact CZ2-CB 4.23Å; W41-R85 HydrophobicContact CZ2-CG 4.45Å; W41-M88 HydrophobicContact CH2-CE 3.89Å; W41-M88 HydrophobicContact CZ3-CE 3.95Å; W41-A108 PolarHBondContact N-O 2.58Å; W41-R110 HydrophobicContact CB-CG 4Å; W41-R110 HydrophobicContact CD2-CG 4.13Å; W41-R110 HydrophobicContact CE3-CB 4.43Å; W41-R110 HydrophobicContact CE3-CG 4.35Å; W41-R110 HydrophobicContact CG-CG 3.96Å | ||
| 42 | M | 93.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 77.2 Ų | 77.2 | 6% | 0.059 | 39% | 0.389 | C | S | . | . | trans | -58.5 | 144.4 | 179.9 | -164.9 | 156 | 77.7 | 0 | 0 | 112.1 | W49 D54 K81 T106 | M42-W49 VanDerWaalsContact CE-CA 3.45Å; M42-W49 HydrophobicContact CE-CB 3.82Å; M42-W49 HydrophobicContact CE-CG 4.14Å; M42-D54 VanDerWaalsContact CE-OD1 3.24Å; M42-D54 WeakPolarHBondContact CE-OD1 3.41Å; M42-D54 WeakPolarHBondContact CE-OD2 3.49Å; M42-K81 PolarHBondContact O-NZ 2.83Å; M42-T106 HydrophobicContact SD-CG2 3.88Å | ||
| 43 | H | 92.3 | Very high | 92.9 | Very high | 114 Ų | 114 | 76.8 Ų | 76.8 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | trans | -83.8 | 130.6 | -178.9 | -170.9 | -74.9 | 0 | 0 | 0 | 110 | A45 R46 | H43-A45 WeakPolarHBondContact ND1-CB 3.32Å; H43-A45 PolarHBondContact ND1-N 3.11Å; H43-A45 VanDerWaalsContact ND1-N 3.15Å; H43-A45 PolarHBondContact O-N 3.41Å; H43-A45 VanDerWaalsContact O-N 3.16Å; H43-R46 HydrophobicContact CB-CG 4.11Å; H43-R46 WeakPolarHBondContact O-CB 3.36Å; H43-R46 PolarHBondContact O-N 3.27Å | ||
| 44 | A | 90.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 70 Ų | 70 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R46 W49 | A44-R46 VanDerWaalsContact C-N 3.26Å; A44-R46 PolarHBondContact O-N 2.98Å; A44-W49 HydrophobicContact CB-CD2 3.99Å; A44-W49 HydrophobicContact CB-CE3 4.32Å; A44-W49 HydrophobicContact CB-CG 4.47Å; A44-W49 HydrophobicContact CB-CZ2 4.19Å |
| 45 | A | 91.1 | Very high | 93.1 | Very high | 86 Ų | 86 | 64.1 Ų | 64.1 | 71% | 0.711 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 5.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H43 | H43-A45 WeakPolarHBondContact ND1-CB 3.32Å; H43-A45 PolarHBondContact ND1-N 3.11Å; H43-A45 VanDerWaalsContact ND1-N 3.15Å; H43-A45 PolarHBondContact O-N 3.41Å; H43-A45 VanDerWaalsContact O-N 3.16Å |
| 46 | R | 91 | Very high | 93.2 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -80.7 | 146.2 | 175.3 | -77.8 | -178.7 | 176.3 | -76.1 | -5.2 | 110.2 | H43 A44 W49 | H43-R46 HydrophobicContact CB-CG 4.11Å; H43-R46 WeakPolarHBondContact O-CB 3.36Å; H43-R46 PolarHBondContact O-N 3.27Å; A44-R46 VanDerWaalsContact C-N 3.26Å; A44-R46 PolarHBondContact O-N 2.98Å; R46-W49 VanDerWaalsContact O-CB 3.31Å; R46-W49 WeakPolarHBondContact O-CB 3.47Å; R46-W49 PolarHBondContact O-N 3.19Å |
| 47 | H | 90.6 | Very high | 93.2 | Very high | 191 Ų | 191 | 59.3 Ų | 59.3 | 88% | 0.884 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 137.7 | 170.2 | -175.8 | 68 | 0 | 0 | 0 | 110.4 | W49 | H47-W49 VanDerWaalsContact C-N 3.32Š|
| 48 | G | 88.9 | Confident | 93.2 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 8.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 49 | W | 93.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 60.6 Ų | 60.6 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -74.6 | 131.4 | 169.8 | -172.9 | 88.3 | 0 | 0 | 0 | 111.2 | M42 A44 R46 H47 L51 D54 A55 P77 | M42-W49 VanDerWaalsContact CE-CA 3.45Å; M42-W49 HydrophobicContact CE-CB 3.82Å; M42-W49 HydrophobicContact CE-CG 4.14Å; A44-W49 HydrophobicContact CB-CD2 3.99Å; A44-W49 HydrophobicContact CB-CE3 4.32Å; A44-W49 HydrophobicContact CB-CG 4.47Å; A44-W49 HydrophobicContact CB-CZ2 4.19Å; R46-W49 VanDerWaalsContact O-CB 3.31Å; R46-W49 WeakPolarHBondContact O-CB 3.47Å; R46-W49 PolarHBondContact O-N 3.19Å; H47-W49 VanDerWaalsContact C-N 3.32Å; W49-L51 HydrophobicContact CH2-CB 4.43Å; W49-D54 WeakPolarHBondContact CA-OD2 3.32Å; W49-D54 HydrophobicContact CG-CB 4.4Å; W49-D54 HydrophobicContact CZ2-CB 4.42Å; W49-A55 HydrophobicContact CH2-CB 4.36Å; W49-A55 HydrophobicContact CZ2-CB 4.07Å; W49-P77 HydrophobicContact CH2-CB 3.6Å; W49-P77 HydrophobicContact CH2-CG 3.59Å; W49-P77 HydrophobicContact CZ2-CB 4.06Å; W49-P77 HydrophobicContact CZ2-CG 4.46Å; W49-P77 HydrophobicContact CZ3-CG 4.31Å | ||
| 50 | D | 93.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | trans | -135.9 | 142.4 | -175.9 | -177.6 | 26.7 | 0 | 0 | 0 | 111.6 | K53 D54 | D50-K53 HydrophobicContact CB-CB 4.31Å; D50-K53 HydrophobicContact CB-CD 4.45Å; D50-K53 HydrophobicContact CB-CG 4.44Å; D50-K53 PolarHBondContact O-N 3.16Å; D50-D54 PolarHBondContact N-OD2 2.86Å; D50-D54 VanDerWaalsContact O-CB 3.26Å; D50-D54 WeakPolarHBondContact O-CB 3.44Å; D50-D54 PolarHBondContact O-N 2.94Å | ||
| 51 | L | 91.7 | Very high | 93.2 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | -177.5 | -177.1 | 126 | 0 | 0 | 0 | 111.5 | W49 K53 A55 P75 P77 W80 | W49-L51 HydrophobicContact CH2-CB 4.43Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.23Å; L51-A55 HydrophobicContact CG-CB 4.37Å; L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 2.83Å; L51-A55 VanDerWaalsContact O-N 3.16Å; L51-P75 HydrophobicContact CD1-CB 4.07Å; L51-P77 HydrophobicContact CD1-CB 4.13Å; L51-P77 HydrophobicContact CD1-CG 3.95Å; L51-W80 HydrophobicContact CD1-CZ3 4.25Å |
| 52 | E | 92.1 | Very high | 93.2 | Very high | 155 Ų | 155 | 62.4 Ų | 62.4 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.4 | -38.4 | -178.1 | -162 | 89.7 | -157.9 | 0 | 0 | 111.5 | P56 | E52-P56 WeakPolarHBondContact O-CD 3.38Å; E52-P56 WeakPolarHBondContact O-CG 3.5Å |
| 53 | K | 91.6 | Very high | 93.3 | Very high | 143 Ų | 143 | 65.2 Ų | 65.2 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -91.2 | -43.5 | -172.9 | -63.1 | -179.8 | -176.4 | 173.2 | 0 | 112.9 | D50 L51 P56 | D50-K53 HydrophobicContact CB-CB 4.31Å; D50-K53 HydrophobicContact CB-CD 4.45Å; D50-K53 HydrophobicContact CB-CG 4.44Å; D50-K53 PolarHBondContact O-N 3.16Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.23Å; K53-P56 VanDerWaalsContact C-CD 3.46Å; K53-P56 VanDerWaalsContact O-CD 3.29Å; K53-P56 WeakPolarHBondContact O-CD 3.2Å |
| 54 | D | 92.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -102.8 | -21.8 | -168.7 | -60.8 | -68.7 | 0 | 0 | 0 | 114.2 | M42 W49 D50 | M42-D54 VanDerWaalsContact CE-OD1 3.24Å; M42-D54 WeakPolarHBondContact CE-OD1 3.41Å; M42-D54 WeakPolarHBondContact CE-OD2 3.49Å; W49-D54 WeakPolarHBondContact CA-OD2 3.32Å; W49-D54 HydrophobicContact CG-CB 4.4Å; W49-D54 HydrophobicContact CZ2-CB 4.42Å; D50-D54 PolarHBondContact N-OD2 2.86Å; D50-D54 VanDerWaalsContact O-CB 3.26Å; D50-D54 WeakPolarHBondContact O-CB 3.44Å; D50-D54 PolarHBondContact O-N 2.94Å |
| 55 | A | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -102.8 | 1.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | W49 L51 L57 F58 M59 P77 | W49-A55 HydrophobicContact CH2-CB 4.36Å; W49-A55 HydrophobicContact CZ2-CB 4.07Å; L51-A55 HydrophobicContact CG-CB 4.37Å; L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 2.83Å; L51-A55 VanDerWaalsContact O-N 3.16Å; A55-L57 VanDerWaalsContact C-N 3.3Å; A55-L57 PolarHBondContact O-N 3.04Å; A55-F58 HydrophobicContact CB-CD2 4.47Å; A55-F58 PolarHBondContact O-N 3.29Å; A55-M59 WeakPolarHBondContact O-CB 3.32Å; A55-M59 PolarHBondContact O-N 3.3Å; A55-P77 HydrophobicContact CB-CB 4.05Å |
| 56 | P | 95.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -33.6 | -170.2 | 25.8 | -34.3 | 0 | 0 | 0 | 112.6 | I24 E52 K53 R60 | I24-P56 HydrophobicContact CG1-CB 4.46Å; I24-P56 HydrophobicContact CG1-CG 4.46Å; I24-P56 HydrophobicContact CG2-CG 4.04Å; E52-P56 WeakPolarHBondContact O-CD 3.38Å; E52-P56 WeakPolarHBondContact O-CG 3.5Å; K53-P56 VanDerWaalsContact C-CD 3.46Å; K53-P56 VanDerWaalsContact O-CD 3.29Å; K53-P56 WeakPolarHBondContact O-CD 3.2Å; P56-R60 WeakPolarHBondContact O-CB 3.45Å; P56-R60 WeakPolarHBondContact O-CG 3.49Å; P56-R60 PolarHBondContact O-N 3.4Å |
| 57 | L | 96 | Very high | 93.7 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 173.8 | -179 | 58.3 | 0 | 0 | 0 | 112.2 | W14 L15 Q18 I24 L27 I39 A55 R60 W61 F84 | W14-L57 HydrophobicContact CH2-CD1 3.8Å; W14-L57 HydrophobicContact CZ3-CD1 3.99Å; L15-L57 HydrophobicContact CD1-CD1 4.25Å; Q18-L57 HydrophobicContact CB-CD1 4.35Å; I24-L57 HydrophobicContact CD1-CB 3.87Å; I24-L57 HydrophobicContact CD1-CD1 3.71Å; I24-L57 HydrophobicContact CD1-CG 4.37Å; I24-L57 HydrophobicContact CG2-CB 4.34Å; L27-L57 HydrophobicContact CD1-CD2 4.12Å; L27-L57 HydrophobicContact CD2-CD1 3.88Å; L27-L57 HydrophobicContact CD2-CD2 4.34Å; I39-L57 HydrophobicContact CD1-CD2 4.36Å; I39-L57 HydrophobicContact CG1-CD2 4.37Å; I39-L57 HydrophobicContact CG2-CD2 3.48Å; I39-L57 VanDerWaalsContact CG2-CD2 3.48Å; A55-L57 VanDerWaalsContact C-N 3.3Å; A55-L57 PolarHBondContact O-N 3.04Å; L57-R60 PolarHBondContact O-N 2.97Å; L57-W61 PolarHBondContact O-N 3.24Å; L57-W61 VanDerWaalsContact O-N 3.1Å; L57-F84 HydrophobicContact CD1-CE2 4.39Å; L57-F84 HydrophobicContact CD2-CE1 4.37Å; L57-F84 HydrophobicContact CD2-CE2 4.25Å; L57-F84 HydrophobicContact CD2-CZ 3.82Å; L57-F84 HydrophobicContact CG-CE2 4.11Å; L57-F84 HydrophobicContact CG-CZ 4.19Å |
| 58 | F | 96.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.1 | -38.9 | -177.1 | -49.9 | -52 | 0 | 0 | 0 | 110.9 | W41 A55 W61 A62 W80 K81 F84 | W41-F58 HydrophobicContact CE3-CE1 4.49Å; W41-F58 HydrophobicContact CE3-CZ 4.2Å; W41-F58 HydrophobicContact CH2-CE1 4.1Å; W41-F58 HydrophobicContact CH2-CZ 4.45Å; W41-F58 AromaticContact CZ3-CE1 4Å; W41-F58 HydrophobicContact CZ3-CE1 4Å; W41-F58 HydrophobicContact CZ3-CZ 4.16Å; A55-F58 HydrophobicContact CB-CD2 4.47Å; A55-F58 PolarHBondContact O-N 3.29Å; F58-W61 PolarHBondContact O-N 2.94Å; F58-A62 PolarHBondContact O-N 3.35Å; F58-W80 HydrophobicContact CB-CB 3.87Å; F58-K81 HydrophobicContact CD2-CB 4.07Å; F58-K81 HydrophobicContact CD2-CG 4.21Å; F58-K81 HydrophobicContact CE1-CG 4.31Å; F58-K81 HydrophobicContact CE2-CB 4.38Å; F58-K81 HydrophobicContact CE2-CD 4.09Å; F58-K81 HydrophobicContact CE2-CG 4.01Å; F58-K81 HydrophobicContact CG-CB 4.16Å; F58-K81 HydrophobicContact CG-CG 4.48Å; F58-K81 HydrophobicContact CZ-CD 4.4Å; F58-K81 HydrophobicContact CZ-CG 4.07Å; F58-F84 HydrophobicContact CD1-CB 3.76Å; F58-F84 AromaticContact CD1-CD1 3.71Å; F58-F84 HydrophobicContact CD1-CD1 3.71Å; F58-F84 HydrophobicContact CD1-CD2 4.2Å; F58-F84 HydrophobicContact CD1-CE1 4.36Å; F58-F84 AromaticContact CD1-CG 3.61Å; F58-F84 HydrophobicContact CD1-CG 3.61Å; F58-F84 HydrophobicContact CE1-CB 4.38Å; F58-F84 AromaticContact CE1-CD1 3.54Å; F58-F84 HydrophobicContact CE1-CD1 3.54Å; F58-F84 AromaticContact CE1-CE1 3.96Å; F58-F84 HydrophobicContact CE1-CE1 3.96Å; F58-F84 AromaticContact CE1-CG 3.98Å; F58-F84 HydrophobicContact CE1-CG 3.98Å |
| 59 | M | 95.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 174.1 | -175.3 | 176.5 | 69.8 | 0 | 0 | 111.1 | A55 W61 A62 I63 Y68 W80 | A55-M59 WeakPolarHBondContact O-CB 3.32Å; A55-M59 PolarHBondContact O-N 3.3Å; M59-W61 VanDerWaalsContact C-N 3.27Å; M59-W61 PolarHBondContact O-N 3.49Å; M59-A62 WeakPolarHBondContact O-CA 3.42Å; M59-A62 WeakPolarHBondContact O-CB 3.42Å; M59-A62 PolarHBondContact O-N 2.97Å; M59-I63 HydrophobicContact CG-CD1 4.08Å; M59-I63 WeakPolarHBondContact O-CG1 3.28Å; M59-I63 PolarHBondContact O-N 2.83Å; M59-Y68 HydrophobicContact CG-CD1 3.95Å; M59-Y68 HydrophobicContact CG-CE1 3.77Å; M59-Y68 HydrophobicContact SD-CE1 4.04Å; M59-W80 HydrophobicContact CB-CE3 3.81Å; M59-W80 HydrophobicContact CB-CH2 4.47Å; M59-W80 HydrophobicContact CB-CZ3 3.68Å; M59-W80 HydrophobicContact CG-CE3 4.22Å; M59-W80 HydrophobicContact CG-CH2 4.01Å; M59-W80 HydrophobicContact CG-CZ3 3.7Å; M59-W80 HydrophobicContact SD-CH2 4.4Å; M59-W80 HydrophobicContact SD-CZ3 4.21Å |
| 60 | R | 96 | Very high | 94.1 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -37.4 | 178.2 | -72.1 | 170.1 | -175.6 | -136.1 | -1.7 | 112.4 | W14 Q23 P56 L57 I63 H64 | W14-R60 HydrophobicContact CH2-CB 4.39Å; W14-R60 HydrophobicContact CZ2-CB 3.91Å; Q23-R60 VanDerWaalsContact OE1-CZ 3.27Å; P56-R60 WeakPolarHBondContact O-CB 3.45Å; P56-R60 WeakPolarHBondContact O-CG 3.49Å; P56-R60 PolarHBondContact O-N 3.4Å; L57-R60 PolarHBondContact O-N 2.97Å; R60-I63 PolarHBondContact O-N 3.49Å; R60-H64 VanDerWaalsContact O-CB 3.32Å; R60-H64 WeakPolarHBondContact O-CB 3.5Å; R60-H64 PolarHBondContact O-N 3.31Å |
| 61 | W | 95.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.4 | -41 | 174.2 | -179 | -117 | 0 | 0 | 0 | 112.4 | M11 W14 L57 F58 M59 I63 H64 T65 F84 A87 | M11-W61 HydrophobicContact CB-CH2 3.5Å; M11-W61 HydrophobicContact CB-CZ2 3.92Å; M11-W61 HydrophobicContact CB-CZ3 4.13Å; M11-W61 HydrophobicContact CG-CH2 4.11Å; M11-W61 HydrophobicContact CG-CZ2 4.25Å; M11-W61 HydrophobicContact CG-CZ3 4.49Å; M11-W61 HydrophobicContact SD-CD2 4.1Å; M11-W61 HydrophobicContact SD-CE3 3.83Å; M11-W61 HydrophobicContact SD-CH2 3.88Å; M11-W61 HydrophobicContact SD-CZ2 4.11Å; M11-W61 HydrophobicContact SD-CZ3 3.71Å; W14-W61 HydrophobicContact CB-CZ3 4.14Å; W14-W61 AromaticContact CD2-CE3 3.45Å; W14-W61 HydrophobicContact CD2-CE3 3.45Å; W14-W61 VanDerWaalsContact CD2-CE3 3.45Å; W14-W61 AromaticContact CD2-CZ3 3.71Å; W14-W61 HydrophobicContact CD2-CZ3 3.71Å; W14-W61 AromaticContact CE2-CE3 3.75Å; W14-W61 HydrophobicContact CE3-CD2 4.35Å; W14-W61 AromaticContact CE3-CE3 3.4Å; W14-W61 HydrophobicContact CE3-CE3 3.4Å; W14-W61 AromaticContact CE3-CZ3 3.83Å; W14-W61 HydrophobicContact CE3-CZ3 3.83Å; W14-W61 HydrophobicContact CG-CE3 4.07Å; W14-W61 AromaticContact CG-CZ3 3.85Å; W14-W61 HydrophobicContact CG-CZ3 3.85Å; W14-W61 HydrophobicContact CH2-CB 3.54Å; W14-W61 HydrophobicContact CH2-CD2 4.46Å; W14-W61 AromaticContact CH2-CE3 3.97Å; W14-W61 HydrophobicContact CH2-CE3 3.97Å; W14-W61 HydrophobicContact CH2-CG 4.35Å; W14-W61 HydrophobicContact CZ2-CB 4.01Å; W14-W61 HydrophobicContact CZ2-CE3 4Å; W14-W61 HydrophobicContact CZ3-CB 4.06Å; W14-W61 HydrophobicContact CZ3-CD2 4.27Å; W14-W61 AromaticContact CZ3-CE3 3.69Å; W14-W61 HydrophobicContact CZ3-CE3 3.69Å; W14-W61 HydrophobicContact CZ3-CG 4.46Å; L57-W61 PolarHBondContact O-N 3.24Å; L57-W61 VanDerWaalsContact O-N 3.1Å; F58-W61 PolarHBondContact O-N 2.94Å; M59-W61 VanDerWaalsContact C-N 3.27Å; M59-W61 PolarHBondContact O-N 3.49Å; W61-I63 VanDerWaalsContact C-N 3.34Å; W61-H64 HydrophobicContact CE3-CB 4.4Å; W61-H64 AromaticContact CE3-CD2 3.94Å; W61-H64 AromaticContact CZ3-CD2 3.47Å; W61-H64 VanDerWaalsContact CZ3-CD2 3.47Å; W61-H64 WeakPolarHBondContact CZ3-CD2 3.5Å; W61-H64 PolarHBondContact O-N 2.94Å; W61-T65 HydrophobicContact CD2-CG2 3.94Å; W61-T65 VanDerWaalsContact CE2-CG2 3.49Å; W61-T65 HydrophobicContact CE3-CG2 4.28Å; W61-T65 HydrophobicContact CH2-CG2 3.84Å; W61-T65 HydrophobicContact CZ2-CG2 3.45Å; W61-T65 VanDerWaalsContact CZ2-CG2 3.45Å; W61-T65 HydrophobicContact CZ3-CG2 4.25Å; W61-T65 WeakPolarHBondContact O-CB 3.42Å; W61-T65 WeakPolarHBondContact O-CG2 3.45Å; W61-T65 PolarHBondContact O-N 3.42Å; W61-T65 PolarHBondContact O-OG1 2.85Å; W61-F84 HydrophobicContact CB-CD2 3.91Å; W61-F84 AromaticContact CD1-CD2 3.88Å; W61-F84 AromaticContact CG-CD2 3.82Å; W61-F84 HydrophobicContact CG-CD2 3.82Å; W61-A87 HydrophobicContact CZ2-CB 4.13Å |
| 62 | A | 96.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F58 M59 T65 G66 K67 Y68 W80 | F58-A62 PolarHBondContact O-N 3.35Å; M59-A62 WeakPolarHBondContact O-CA 3.42Å; M59-A62 WeakPolarHBondContact O-CB 3.42Å; M59-A62 PolarHBondContact O-N 2.97Å; A62-T65 PolarHBondContact O-OG1 3.22Å; A62-G66 PolarHBondContact O-N 3.29Å; A62-G66 VanDerWaalsContact O-N 3.13Å; A62-K67 PolarHBondContact O-N 2.73Å; A62-Y68 PolarHBondContact O-N 3.49Å; A62-W80 HydrophobicContact CB-CB 4.22Å; A62-W80 VanDerWaalsContact CB-CD1 3.41Å; A62-W80 HydrophobicContact CB-CD2 4.13Å; A62-W80 HydrophobicContact CB-CG 3.66Å |
| 63 | I | 94.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 36% | 0.359 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 173.1 | -62.9 | 170.4 | 0 | 0 | 0 | 110.2 | M59 R60 W61 T65 G66 Y68 P70 | M59-I63 HydrophobicContact CG-CD1 4.08Å; M59-I63 WeakPolarHBondContact O-CG1 3.28Å; M59-I63 PolarHBondContact O-N 2.83Å; R60-I63 PolarHBondContact O-N 3.49Å; W61-I63 VanDerWaalsContact C-N 3.34Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 2.94Å; I63-G66 PolarHBondContact O-N 3.21Å; I63-Y68 WeakPolarHBondContact CA-O 3.19Å; I63-Y68 HydrophobicContact CD1-CD1 4.23Å; I63-Y68 HydrophobicContact CD1-CE1 4.41Å; I63-Y68 HydrophobicContact CG1-CD1 3.66Å; I63-Y68 HydrophobicContact CG1-CE1 4.3Å; I63-P70 HydrophobicContact CD1-CG 3.7Å; I63-P70 HydrophobicContact CG1-CG 4.04Å |
| 64 | H | 93.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 60 Ų | 60 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59 | -39.7 | -179.4 | -176.9 | 72.5 | 0 | 0 | 0 | 113 | M9 W14 R60 W61 G66 | M9-H64 PolarHBondContact O-NE2 3.25Å; W14-H64 AromaticContact CD1-CD2 3.57Å; W14-H64 AromaticContact CD1-CE1 3.55Å; W14-H64 AromaticContact CD1-CG 3.41Å; W14-H64 VanDerWaalsContact CD1-CG 3.41Å; W14-H64 AromaticContact CD1-ND1 3.42Å; W14-H64 AromaticContact CD1-NE2 3.63Å; W14-H64 AromaticContact NE1-CD2 3.86Å; W14-H64 AromaticContact NE1-CG 3.34Å; W14-H64 VanDerWaalsContact NE1-CG 3.34Å; W14-H64 AromaticContact NE1-ND1 3.57Å; R60-H64 VanDerWaalsContact O-CB 3.32Å; R60-H64 WeakPolarHBondContact O-CB 3.5Å; R60-H64 PolarHBondContact O-N 3.31Å; W61-H64 HydrophobicContact CE3-CB 4.4Å; W61-H64 AromaticContact CE3-CD2 3.94Å; W61-H64 AromaticContact CZ3-CD2 3.47Å; W61-H64 VanDerWaalsContact CZ3-CD2 3.47Å; W61-H64 WeakPolarHBondContact CZ3-CD2 3.5Å; W61-H64 PolarHBondContact O-N 2.94Å; H64-G66 VanDerWaalsContact C-N 3.25Å; H64-G66 PolarHBondContact O-N 3.01Å |
| 65 | T | 93.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 23% | 0.233 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | W61 A62 I63 K67 | W61-T65 HydrophobicContact CD2-CG2 3.94Å; W61-T65 VanDerWaalsContact CE2-CG2 3.49Å; W61-T65 HydrophobicContact CE3-CG2 4.28Å; W61-T65 HydrophobicContact CH2-CG2 3.84Å; W61-T65 HydrophobicContact CZ2-CG2 3.45Å; W61-T65 VanDerWaalsContact CZ2-CG2 3.45Å; W61-T65 HydrophobicContact CZ3-CG2 4.25Å; W61-T65 WeakPolarHBondContact O-CB 3.42Å; W61-T65 WeakPolarHBondContact O-CG2 3.45Å; W61-T65 PolarHBondContact O-N 3.42Å; W61-T65 PolarHBondContact O-OG1 2.85Å; A62-T65 PolarHBondContact O-OG1 3.22Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 2.94Å; T65-K67 PolarHBondContact O-N 3.44Å; T65-K67 WeakPolarHBondContact OG1-CG 3.37Å |
| 66 | G | 92.7 | Very high | 94.4 | Very high | 41 Ų | 41 | 65 Ų | 65 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 19.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A62 I63 H64 Y68 | A62-G66 PolarHBondContact O-N 3.29Å; A62-G66 VanDerWaalsContact O-N 3.13Å; I63-G66 PolarHBondContact O-N 3.21Å; H64-G66 VanDerWaalsContact C-N 3.25Å; H64-G66 PolarHBondContact O-N 3.01Å; G66-Y68 VanDerWaalsContact C-N 3.33Å |
| 67 | K | 93.4 | Very high | 94.4 | Very high | 147 Ų | 147 | 65.6 Ų | 65.6 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -84 | -12.1 | 175.7 | -62.9 | -59.4 | -177.3 | -172.8 | 0 | 113 | A62 T65 | A62-K67 PolarHBondContact O-N 2.73Å; T65-K67 PolarHBondContact O-N 3.44Å; T65-K67 WeakPolarHBondContact OG1-CG 3.37Å |
| 68 | Y | 94.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 73.5 Ų | 73.5 | 9% | 0.09 | 39% | 0.39 | C | S | . | . | trans | -142 | 126.4 | 175.7 | 172.9 | -122.9 | 0 | 0 | 0 | 109.5 | M59 A62 I63 G66 P70 D73 W80 | M59-Y68 HydrophobicContact CG-CD1 3.95Å; M59-Y68 HydrophobicContact CG-CE1 3.77Å; M59-Y68 HydrophobicContact SD-CE1 4.04Å; A62-Y68 PolarHBondContact O-N 3.49Å; I63-Y68 WeakPolarHBondContact CA-O 3.19Å; I63-Y68 HydrophobicContact CD1-CD1 4.23Å; I63-Y68 HydrophobicContact CD1-CE1 4.41Å; I63-Y68 HydrophobicContact CG1-CD1 3.66Å; I63-Y68 HydrophobicContact CG1-CE1 4.3Å; G66-Y68 VanDerWaalsContact C-N 3.33Å; Y68-P70 HydrophobicContact CD1-CG 4.39Å; Y68-P70 HydrophobicContact CE1-CB 4.41Å; Y68-P70 HydrophobicContact CE1-CG 3.92Å; Y68-D73 HydrophobicContact CD2-CB 3.74Å; Y68-D73 HydrophobicContact CE2-CB 4.06Å; Y68-D73 WeakPolarHBondContact CE2-O 3.46Å; Y68-W80 AromaticContact CD1-CH2 3.88Å; Y68-W80 HydrophobicContact CD1-CH2 3.88Å; Y68-W80 AromaticContact CD1-CZ2 3.55Å; Y68-W80 HydrophobicContact CD1-CZ2 3.55Å; Y68-W80 HydrophobicContact CD2-CH2 4.24Å; Y68-W80 AromaticContact CD2-CZ2 3.4Å; Y68-W80 HydrophobicContact CD2-CZ2 3.4Å; Y68-W80 AromaticContact CE1-CH2 3.69Å; Y68-W80 HydrophobicContact CE1-CH2 3.69Å; Y68-W80 AromaticContact CE1-CZ2 3.77Å; Y68-W80 HydrophobicContact CE1-CZ2 3.77Å; Y68-W80 HydrophobicContact CE2-CH2 4.05Å; Y68-W80 AromaticContact CE2-CZ2 3.61Å; Y68-W80 HydrophobicContact CE2-CZ2 3.61Å; Y68-W80 AromaticContact CG-CE2 3.85Å; Y68-W80 HydrophobicContact CG-CH2 4.15Å; Y68-W80 AromaticContact CG-CZ2 3.36Å; Y68-W80 HydrophobicContact CG-CZ2 3.36Å; Y68-W80 AromaticContact CZ-CH2 3.78Å; Y68-W80 AromaticContact CZ-CZ2 3.8Å | ||
| 69 | Q | 93.8 | Very high | 94.2 | Very high | 110 Ų | 110 | 76 Ų | 76 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | trans | -110.6 | 112.4 | 171.3 | -71.9 | 177.4 | 76.6 | 0 | 0 | 109.7 | G71 V72 D73 | Q69-G71 PolarHBondContact O-N 3.35Å; Q69-V72 HydrophobicContact CB-CB 4.04Å; Q69-V72 HydrophobicContact CB-CG2 4.33Å; Q69-V72 PolarHBondContact O-N 2.83Å; Q69-V72 VanDerWaalsContact O-N 3.14Å; Q69-D73 PolarHBondContact N-OD2 3.18Å; Q69-D73 PolarHBondContact O-N 3.38Å | ||
| 70 | P | 93.2 | Very high | 94.3 | Very high | 79 Ų | 79 | 74.1 Ų | 74.1 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 129.9 | 176.4 | -24.3 | 34 | 0 | 0 | 0 | 111.2 | I63 Y68 V72 | I63-P70 HydrophobicContact CD1-CG 3.7Å; I63-P70 HydrophobicContact CG1-CG 4.04Å; Y68-P70 HydrophobicContact CD1-CG 4.39Å; Y68-P70 HydrophobicContact CE1-CB 4.41Å; Y68-P70 HydrophobicContact CE1-CG 3.92Å; P70-V72 VanDerWaalsContact C-N 3.29Å; P70-V72 PolarHBondContact O-N 3.13Å |
| 71 | G | 92.3 | Very high | 94.3 | Very high | 84 Ų | 84 | 72.7 Ų | 72.7 | 87% | 0.866 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -16.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q69 | Q69-G71 PolarHBondContact O-N 3.35Š|
| 72 | V | 93.7 | Very high | 94.3 | Very high | 109 Ų | 109 | 73.7 Ų | 73.7 | 66% | 0.661 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -52.2 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | Q69 P70 | Q69-V72 HydrophobicContact CB-CB 4.04Å; Q69-V72 HydrophobicContact CB-CG2 4.33Å; Q69-V72 PolarHBondContact O-N 2.83Å; Q69-V72 VanDerWaalsContact O-N 3.14Å; P70-V72 VanDerWaalsContact C-N 3.29Å; P70-V72 PolarHBondContact O-N 3.13Å |
| 73 | D | 93.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 77 Ų | 77 | 35% | 0.353 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -91.4 | 150.8 | -177.3 | -63.9 | -40.7 | 0 | 0 | 0 | 111 | Y68 Q69 | Y68-D73 HydrophobicContact CD2-CB 3.74Å; Y68-D73 HydrophobicContact CE2-CB 4.06Å; Y68-D73 WeakPolarHBondContact CE2-O 3.46Å; Q69-D73 PolarHBondContact N-OD2 3.18Å; Q69-D73 PolarHBondContact O-N 3.38Å |
| 74 | R | 93.7 | Very high | 94.4 | Very high | 230 Ų | 230 | 73.7 Ų | 73.7 | 87% | 0.868 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -75 | 138.8 | 171.2 | -70 | -178.7 | 174.1 | 168.4 | -1.7 | 110.3 | D76 | R74-D76 PolarHBondContact O-N 2.83Š|
| 75 | P | 94.5 | Very high | 94.5 | Very high | 73 Ų | 73 | 76.5 Ų | 76.5 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 125 | 179.8 | 26.5 | -33.8 | 0 | 0 | 0 | 111.6 | L51 W80 | L51-P75 HydrophobicContact CD1-CB 4.07Å; P75-W80 VanDerWaalsContact CA-CH2 3.5Å; P75-W80 HydrophobicContact CB-CH2 3.51Å; P75-W80 HydrophobicContact CB-CZ2 4.09Å; P75-W80 HydrophobicContact CB-CZ3 4.39Å |
| 76 | D | 94.5 | Very high | 94.7 | Very high | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | trans | -127 | 82.1 | 175.7 | -174.2 | -7.9 | 0 | 0 | 0 | 110.9 | R74 K78 T79 W80 | R74-D76 PolarHBondContact O-N 2.83Å; D76-K78 PolarHBondContact O-N 2.93Å; D76-K78 WeakPolarHBondContact OD1-CB 3.35Å; D76-K78 PolarHBondContact OD1-N 2.89Å; D76-T79 VanDerWaalsContact CG-CB 3.5Å; D76-T79 VanDerWaalsContact CG-OG1 3.25Å; D76-T79 PolarHBondContact O-N 3.34Å; D76-T79 PolarHBondContact OD1-N 3.19Å; D76-T79 VanDerWaalsContact OD2-CB 3.23Å; D76-T79 WeakPolarHBondContact OD2-CB 3.19Å; D76-T79 PolarHBondContact OD2-OG1 3.04Å; D76-W80 VanDerWaalsContact O-CD1 3.32Å; D76-W80 VanDerWaalsContact O-CD2 3.23Å; D76-W80 PolarHBondContact O-N 3Å; D76-W80 VanDerWaalsContact O-N 3.1Å; D76-W80 PolarHBondContact O-NE1 2.85Å | ||
| 77 | P | 93.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 76.9 Ų | 76.9 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.1 | -25.7 | -178 | 26.9 | -36.5 | 0 | 0 | 0 | 113 | W49 L51 A55 W80 K81 | W49-P77 HydrophobicContact CH2-CB 3.6Å; W49-P77 HydrophobicContact CH2-CG 3.59Å; W49-P77 HydrophobicContact CZ2-CB 4.06Å; W49-P77 HydrophobicContact CZ2-CG 4.46Å; W49-P77 HydrophobicContact CZ3-CG 4.31Å; L51-P77 HydrophobicContact CD1-CB 4.13Å; L51-P77 HydrophobicContact CD1-CG 3.95Å; A55-P77 HydrophobicContact CB-CB 4.05Å; P77-W80 HydrophobicContact CB-CE3 4.27Å; P77-K81 VanDerWaalsContact O-CB 3.27Å; P77-K81 WeakPolarHBondContact O-CB 3.45Å; P77-K81 PolarHBondContact O-N 2.92Å |
| 78 | K | 94 | Very high | 94.9 | Very high | 170 Ų | 170 | 70 Ų | 70 | 74% | 0.739 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.1 | -47.6 | 178.3 | -176.8 | -177.6 | 178.3 | -175.9 | 0 | 110.1 | D76 A82 | D76-K78 PolarHBondContact O-N 2.93Å; D76-K78 WeakPolarHBondContact OD1-CB 3.35Å; D76-K78 PolarHBondContact OD1-N 2.89Å; K78-A82 PolarHBondContact O-N 3.39Å; K78-A82 VanDerWaalsContact O-N 3.09Å |
| 79 | T | 95.8 | Very high | 94.8 | Very high | 61 Ų | 61 | 73.4 Ų | 73.4 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 177.4 | -68 | 0 | 0 | 0 | 0 | 111.5 | D76 K81 A82 N83 | D76-T79 VanDerWaalsContact CG-CB 3.5Å; D76-T79 VanDerWaalsContact CG-OG1 3.25Å; D76-T79 PolarHBondContact O-N 3.34Å; D76-T79 PolarHBondContact OD1-N 3.19Å; D76-T79 VanDerWaalsContact OD2-CB 3.23Å; D76-T79 WeakPolarHBondContact OD2-CB 3.19Å; D76-T79 PolarHBondContact OD2-OG1 3.04Å; T79-K81 PolarHBondContact O-N 2.96Å; T79-A82 PolarHBondContact O-N 2.96Å; T79-N83 WeakPolarHBondContact O-CB 3.4Å; T79-N83 PolarHBondContact O-N 3.43Å |
| 80 | W | 96.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 72.2 Ų | 72.2 | 3% | 0.034 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.8 | -53.7 | -23.4 | 0 | 0 | 0 | 112.2 | L51 F58 M59 A62 Y68 P75 D76 P77 A82 N83 F84 | L51-W80 HydrophobicContact CD1-CZ3 4.25Å; F58-W80 HydrophobicContact CB-CB 3.87Å; M59-W80 HydrophobicContact CB-CE3 3.81Å; M59-W80 HydrophobicContact CB-CH2 4.47Å; M59-W80 HydrophobicContact CB-CZ3 3.68Å; M59-W80 HydrophobicContact CG-CE3 4.22Å; M59-W80 HydrophobicContact CG-CH2 4.01Å; M59-W80 HydrophobicContact CG-CZ3 3.7Å; M59-W80 HydrophobicContact SD-CH2 4.4Å; M59-W80 HydrophobicContact SD-CZ3 4.21Å; A62-W80 HydrophobicContact CB-CB 4.22Å; A62-W80 VanDerWaalsContact CB-CD1 3.41Å; A62-W80 HydrophobicContact CB-CD2 4.13Å; A62-W80 HydrophobicContact CB-CG 3.66Å; Y68-W80 AromaticContact CD1-CH2 3.88Å; Y68-W80 HydrophobicContact CD1-CH2 3.88Å; Y68-W80 AromaticContact CD1-CZ2 3.55Å; Y68-W80 HydrophobicContact CD1-CZ2 3.55Å; Y68-W80 HydrophobicContact CD2-CH2 4.24Å; Y68-W80 AromaticContact CD2-CZ2 3.4Å; Y68-W80 HydrophobicContact CD2-CZ2 3.4Å; Y68-W80 AromaticContact CE1-CH2 3.69Å; Y68-W80 HydrophobicContact CE1-CH2 3.69Å; Y68-W80 AromaticContact CE1-CZ2 3.77Å; Y68-W80 HydrophobicContact CE1-CZ2 3.77Å; Y68-W80 HydrophobicContact CE2-CH2 4.05Å; Y68-W80 AromaticContact CE2-CZ2 3.61Å; Y68-W80 HydrophobicContact CE2-CZ2 3.61Å; Y68-W80 AromaticContact CG-CE2 3.85Å; Y68-W80 HydrophobicContact CG-CH2 4.15Å; Y68-W80 AromaticContact CG-CZ2 3.36Å; Y68-W80 HydrophobicContact CG-CZ2 3.36Å; Y68-W80 AromaticContact CZ-CH2 3.78Å; Y68-W80 AromaticContact CZ-CZ2 3.8Å; P75-W80 VanDerWaalsContact CA-CH2 3.5Å; P75-W80 HydrophobicContact CB-CH2 3.51Å; P75-W80 HydrophobicContact CB-CZ2 4.09Å; P75-W80 HydrophobicContact CB-CZ3 4.39Å; D76-W80 VanDerWaalsContact O-CD1 3.32Å; D76-W80 VanDerWaalsContact O-CD2 3.23Å; D76-W80 PolarHBondContact O-N 3Å; D76-W80 VanDerWaalsContact O-N 3.1Å; D76-W80 PolarHBondContact O-NE1 2.85Å; P77-W80 HydrophobicContact CB-CE3 4.27Å; W80-A82 PolarHBondContact O-N 3.42Å; W80-N83 PolarHBondContact O-N 2.97Å; W80-F84 VanDerWaalsContact O-CB 3.32Å; W80-F84 WeakPolarHBondContact O-CB 3.48Å; W80-F84 PolarHBondContact O-N 2.96Å |
| 81 | K | 95.7 | Very high | 94.8 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 19% | 0.187 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.6 | -174.4 | 174.5 | -175.2 | 175.8 | 0 | 112.2 | W41 M42 F58 P77 T79 R85 | W41-K81 VanDerWaalsContact NE1-CE 3.33Å; M42-K81 PolarHBondContact O-NZ 2.83Å; F58-K81 HydrophobicContact CD2-CB 4.07Å; F58-K81 HydrophobicContact CD2-CG 4.21Å; F58-K81 HydrophobicContact CE1-CG 4.31Å; F58-K81 HydrophobicContact CE2-CB 4.38Å; F58-K81 HydrophobicContact CE2-CD 4.09Å; F58-K81 HydrophobicContact CE2-CG 4.01Å; F58-K81 HydrophobicContact CG-CB 4.16Å; F58-K81 HydrophobicContact CG-CG 4.48Å; F58-K81 HydrophobicContact CZ-CD 4.4Å; F58-K81 HydrophobicContact CZ-CG 4.07Å; P77-K81 VanDerWaalsContact O-CB 3.27Å; P77-K81 WeakPolarHBondContact O-CB 3.45Å; P77-K81 PolarHBondContact O-N 2.92Å; T79-K81 PolarHBondContact O-N 2.96Å; K81-R85 WeakPolarHBondContact O-CB 3.23Å; K81-R85 PolarHBondContact O-N 3.26Å |
| 82 | A | 95.9 | Very high | 94.7 | Very high | 44 Ų | 44 | 71.7 Ų | 71.7 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K78 T79 W80 R85 C86 | K78-A82 PolarHBondContact O-N 3.39Å; K78-A82 VanDerWaalsContact O-N 3.09Å; T79-A82 PolarHBondContact O-N 2.96Å; W80-A82 PolarHBondContact O-N 3.42Å; A82-R85 WeakPolarHBondContact O-CB 3.42Å; A82-R85 PolarHBondContact O-N 3.36Å; A82-C86 PolarHBondContact O-N 3.06Å; A82-C86 PolarHBondContact O-SG 3.32Å; A82-C86 VanDerWaalsContact O-SG 3.36Å |
| 83 | N | 96.8 | Very high | 94.6 | Very high | 75 Ų | 75 | 67.3 Ų | 67.3 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 178.4 | -72.7 | -14.8 | 0 | 0 | 0 | 112.1 | T79 W80 R85 C86 A87 | T79-N83 WeakPolarHBondContact O-CB 3.4Å; T79-N83 PolarHBondContact O-N 3.43Å; W80-N83 PolarHBondContact O-N 2.97Å; N83-R85 PolarHBondContact O-N 3.48Å; N83-C86 PolarHBondContact O-N 3.06Å; N83-A87 PolarHBondContact O-N 2.82Å |
| 84 | F | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.3 | -178.9 | -90.1 | 0 | 0 | 0 | 111.9 | M11 W14 L15 I39 W41 L57 F58 W61 W80 C86 A87 M88 | M11-F84 HydrophobicContact CE-CD2 4.12Å; M11-F84 HydrophobicContact CE-CE2 3.34Å; M11-F84 HydrophobicContact CE-CZ 3.6Å; M11-F84 HydrophobicContact SD-CE2 4.31Å; W14-F84 HydrophobicContact CZ3-CE2 4.02Å; L15-F84 HydrophobicContact CD1-CE2 4.47Å; L15-F84 HydrophobicContact CD1-CZ 4.18Å; I39-F84 HydrophobicContact CD1-CE1 3.94Å; I39-F84 HydrophobicContact CD1-CZ 3.95Å; W41-F84 AromaticContact CH2-CD1 3.78Å; W41-F84 HydrophobicContact CH2-CD1 3.78Å; W41-F84 AromaticContact CH2-CE1 3.93Å; W41-F84 HydrophobicContact CH2-CE1 3.93Å; W41-F84 HydrophobicContact CZ3-CD1 4.17Å; W41-F84 AromaticContact CZ3-CE1 3.89Å; W41-F84 HydrophobicContact CZ3-CE1 3.89Å; L57-F84 HydrophobicContact CD1-CE2 4.39Å; L57-F84 HydrophobicContact CD2-CE1 4.37Å; L57-F84 HydrophobicContact CD2-CE2 4.25Å; L57-F84 HydrophobicContact CD2-CZ 3.82Å; L57-F84 HydrophobicContact CG-CE2 4.11Å; L57-F84 HydrophobicContact CG-CZ 4.19Å; F58-F84 HydrophobicContact CD1-CB 3.76Å; F58-F84 AromaticContact CD1-CD1 3.71Å; F58-F84 HydrophobicContact CD1-CD1 3.71Å; F58-F84 HydrophobicContact CD1-CD2 4.2Å; F58-F84 HydrophobicContact CD1-CE1 4.36Å; F58-F84 AromaticContact CD1-CG 3.61Å; F58-F84 HydrophobicContact CD1-CG 3.61Å; F58-F84 HydrophobicContact CE1-CB 4.38Å; F58-F84 AromaticContact CE1-CD1 3.54Å; F58-F84 HydrophobicContact CE1-CD1 3.54Å; F58-F84 AromaticContact CE1-CE1 3.96Å; F58-F84 HydrophobicContact CE1-CE1 3.96Å; F58-F84 AromaticContact CE1-CG 3.98Å; F58-F84 HydrophobicContact CE1-CG 3.98Å; W61-F84 HydrophobicContact CB-CD2 3.91Å; W61-F84 AromaticContact CD1-CD2 3.88Å; W61-F84 AromaticContact CG-CD2 3.82Å; W61-F84 HydrophobicContact CG-CD2 3.82Å; W80-F84 VanDerWaalsContact O-CB 3.32Å; W80-F84 WeakPolarHBondContact O-CB 3.48Å; W80-F84 PolarHBondContact O-N 2.96Å; F84-C86 VanDerWaalsContact C-N 3.34Å; F84-C86 PolarHBondContact O-N 2.97Å; F84-A87 PolarHBondContact O-N 3.32Å; F84-M88 HydrophobicContact CD1-CE 4.28Å; F84-M88 HydrophobicContact CD1-CG 4.28Å; F84-M88 HydrophobicContact CD1-SD 4.42Å; F84-M88 HydrophobicContact CE1-CE 3.6Å; F84-M88 HydrophobicContact CE1-CG 3.79Å; F84-M88 HydrophobicContact CE1-SD 3.45Å; F84-M88 WeakPolarHBondContact CE1-SD 3.31Å; F84-M88 HydrophobicContact CZ-CE 4.41Å; F84-M88 HydrophobicContact CZ-CG 4.01Å; F84-M88 HydrophobicContact CZ-SD 3.67Å; F84-M88 PolarHBondContact O-N 3.46Å |
| 85 | R | 96.1 | Very high | 94.6 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 175.8 | -177.5 | -171.6 | 65.5 | 98.6 | 2.4 | 111.6 | W41 K81 A82 N83 M88 N89 | W41-R85 HydrophobicContact CZ2-CB 4.23Å; W41-R85 HydrophobicContact CZ2-CG 4.45Å; K81-R85 WeakPolarHBondContact O-CB 3.23Å; K81-R85 PolarHBondContact O-N 3.26Å; A82-R85 WeakPolarHBondContact O-CB 3.42Å; A82-R85 PolarHBondContact O-N 3.36Å; N83-R85 PolarHBondContact O-N 3.48Å; R85-M88 PolarHBondContact O-N 3.31Å; R85-N89 WeakPolarHBondContact O-CB 3.27Å; R85-N89 VanDerWaalsContact O-CG 3.23Å; R85-N89 PolarHBondContact O-N 3.25Å |
| 86 | C | 96.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 46% | 0.459 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 177.6 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | A82 N83 F84 M88 N89 S90 | A82-C86 PolarHBondContact O-N 3.06Å; A82-C86 PolarHBondContact O-SG 3.32Å; A82-C86 VanDerWaalsContact O-SG 3.36Å; N83-C86 PolarHBondContact O-N 3.06Å; F84-C86 VanDerWaalsContact C-N 3.34Å; F84-C86 PolarHBondContact O-N 2.97Å; C86-M88 PolarHBondContact O-N 3.31Å; C86-N89 PolarHBondContact O-N 2.81Å; C86-S90 WeakPolarHBondContact O-CB 3.26Å; C86-S90 PolarHBondContact O-N 3.15Å |
| 87 | A | 95.4 | Very high | 94.7 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M11 W61 N83 F84 N89 S90 | M11-A87 HydrophobicContact CG-CB 4.26Å; W61-A87 HydrophobicContact CZ2-CB 4.13Å; N83-A87 PolarHBondContact O-N 2.82Å; F84-A87 PolarHBondContact O-N 3.32Å; A87-N89 PolarHBondContact O-N 2.8Å; A87-S90 PolarHBondContact O-N 2.93Å; A87-S90 PolarHBondContact O-OG 2.91Å |
| 88 | M | 95.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64 | -42 | 177.4 | -70.5 | -150.5 | -49.8 | 0 | 0 | 113.3 | M11 L15 I39 W41 F84 R85 C86 S90 L91 Y112 | M11-M88 HydrophobicContact CE-CG 3.62Å; M11-M88 HydrophobicContact CE-SD 4.22Å; L15-M88 HydrophobicContact CD2-SD 4.07Å; I39-M88 HydrophobicContact CD1-CE 3.9Å; I39-M88 HydrophobicContact CD1-SD 3.61Å; W41-M88 HydrophobicContact CH2-CE 3.89Å; W41-M88 HydrophobicContact CZ3-CE 3.95Å; F84-M88 HydrophobicContact CD1-CE 4.28Å; F84-M88 HydrophobicContact CD1-CG 4.28Å; F84-M88 HydrophobicContact CD1-SD 4.42Å; F84-M88 HydrophobicContact CE1-CE 3.6Å; F84-M88 HydrophobicContact CE1-CG 3.79Å; F84-M88 HydrophobicContact CE1-SD 3.45Å; F84-M88 WeakPolarHBondContact CE1-SD 3.31Å; F84-M88 HydrophobicContact CZ-CE 4.41Å; F84-M88 HydrophobicContact CZ-CG 4.01Å; F84-M88 HydrophobicContact CZ-SD 3.67Å; F84-M88 PolarHBondContact O-N 3.46Å; R85-M88 PolarHBondContact O-N 3.31Å; C86-M88 PolarHBondContact O-N 3.31Å; M88-S90 PolarHBondContact O-N 2.9Å; M88-L91 WeakPolarHBondContact O-CB 3.29Å; M88-L91 PolarHBondContact O-N 3.29Å; M88-L91 VanDerWaalsContact O-N 3.16Å; M88-Y112 HydrophobicContact CE-CD1 4.31Å; M88-Y112 HydrophobicContact CE-CD2 4.1Å; M88-Y112 HydrophobicContact CE-CE1 3.67Å; M88-Y112 HydrophobicContact CE-CE2 3.41Å; M88-Y112 VanDerWaalsContact CE-CE2 3.41Å; M88-Y112 WeakPolarHBondContact CE-OH 3.26Å; M88-Y112 HydrophobicContact SD-CE2 4.42Å |
| 89 | N | 94.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 59.1 Ų | 59.1 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.4 | -23.4 | 179.7 | -71.5 | -9.9 | 0 | 0 | 0 | 113 | R85 C86 A87 L91 | R85-N89 WeakPolarHBondContact O-CB 3.27Å; R85-N89 VanDerWaalsContact O-CG 3.23Å; R85-N89 PolarHBondContact O-N 3.25Å; C86-N89 PolarHBondContact O-N 2.81Å; A87-N89 PolarHBondContact O-N 2.8Å; N89-L91 VanDerWaalsContact C-N 3.28Å |
| 90 | S | 93.1 | Very high | 94.5 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -77.5 | -14.6 | 176.5 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | C86 A87 M88 P92 | C86-S90 WeakPolarHBondContact O-CB 3.26Å; C86-S90 PolarHBondContact O-N 3.15Å; A87-S90 PolarHBondContact O-N 2.93Å; A87-S90 PolarHBondContact O-OG 2.91Å; M88-S90 PolarHBondContact O-N 2.9Å; S90-P92 WeakPolarHBondContact O-CD 3.43Å |
| 91 | L | 92.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | trans | -82.6 | 114.9 | -177.8 | -70.8 | 178.2 | 0 | 0 | 0 | 110.2 | M11 R12 M88 N89 D93 I94 | M11-L91 HydrophobicContact CB-CD1 4.09Å; M11-L91 HydrophobicContact CG-CD1 3.74Å; R12-L91 HydrophobicContact CB-CD1 4.25Å; M88-L91 WeakPolarHBondContact O-CB 3.29Å; M88-L91 PolarHBondContact O-N 3.29Å; M88-L91 VanDerWaalsContact O-N 3.16Å; N89-L91 VanDerWaalsContact C-N 3.28Å; L91-D93 WeakPolarHBondContact CB-OD1 3.28Å; L91-D93 PolarHBondContact O-N 3.1Å; L91-D93 VanDerWaalsContact O-N 3.08Å; L91-I94 HydrophobicContact CB-CB 4.25Å; L91-I94 HydrophobicContact CB-CG1 4.2Å; L91-I94 HydrophobicContact CD1-CD1 3.49Å; L91-I94 VanDerWaalsContact CD1-CD1 3.49Å; L91-I94 HydrophobicContact CD1-CG1 4.01Å; L91-I94 PolarHBondContact O-N 3.37Å | ||
| 92 | P | 90.8 | Very high | 94.3 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -5.5 | 179 | 31 | -36.6 | 0 | 0 | 0 | 112.8 | S90 | S90-P92 WeakPolarHBondContact O-CD 3.43Š|
| 93 | D | 91.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 68.5 Ų | 68.5 | 10% | 0.096 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 6.8 | -172.8 | 65 | -12 | 0 | 0 | 0 | 114.6 | R12 L91 M114 L115 K120 | R12-D93 WeakPolarHBondContact CD-OD2 3.45Å; R12-D93 IonicContact CZ-OD2 3.75Å; R12-D93 IonicContact NE-OD2 2.59Å; R12-D93 VanDerWaalsContact NH1-CB 3.3Å; R12-D93 IonicContact NH1-OD2 2.68Å; R12-D93 PolarHBondContact NH1-OD2 2.96Å; L91-D93 WeakPolarHBondContact CB-OD1 3.28Å; L91-D93 PolarHBondContact O-N 3.1Å; L91-D93 VanDerWaalsContact O-N 3.08Å; D93-M114 CarbonylContact O-C 3.53Å; D93-M114 WeakPolarHBondContact O-CA 3.33Å; D93-L115 PolarHBondContact O-N 3.45Å; D93-K120 HydrophobicContact CB-CD 4.18Å; D93-K120 IonicContact OD2-NZ 3Å; D93-K120 PolarHBondContact OD2-NZ 3.2Å |
| 94 | I | 94.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.087 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.3 | 168.2 | -58.5 | -169.6 | 0 | 0 | 0 | 107.6 | L15 F37 L91 Y112 K113 M114 | L15-I94 HydrophobicContact CD2-CD1 4.24Å; F37-I94 HydrophobicContact CZ-CG2 4.24Å; L91-I94 HydrophobicContact CB-CB 4.25Å; L91-I94 HydrophobicContact CB-CG1 4.2Å; L91-I94 HydrophobicContact CD1-CD1 3.49Å; L91-I94 VanDerWaalsContact CD1-CD1 3.49Å; L91-I94 HydrophobicContact CD1-CG1 4.01Å; L91-I94 PolarHBondContact O-N 3.37Å; I94-Y112 HydrophobicContact CG2-CD1 3.89Å; I94-Y112 HydrophobicContact CG2-CG 4.28Å; I94-K113 WeakPolarHBondContact CA-O 3.45Å; I94-M114 HydrophobicContact CD1-CE 4.44Å; I94-M114 HydrophobicContact CG1-CG 4.35Å |
| 95 | E | 93.3 | Very high | 93.4 | Very high | 80 Ų | 80 | 74.6 Ų | 74.6 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.8 | -179.6 | -176.8 | 176.5 | -167.9 | 0 | 0 | 110.3 | V97 Y112 K113 K123 | E95-V97 PolarHBondContact O-N 3.21Å; E95-Y112 CarbonylContact O-C 3.57Å; E95-Y112 VanDerWaalsContact O-CA 3.32Å; E95-Y112 WeakPolarHBondContact O-CA 3.43Å; E95-K113 PolarHBondContact N-O 2.88Å; E95-K113 PolarHBondContact O-N 3.25Å; E95-K123 IonicContact OE1-NZ 3.77Å; E95-K123 PolarHBondContact OE1-NZ 3.46Å; E95-K123 IonicContact OE2-NZ 3.36Å; E95-K123 PolarHBondContact OE2-NZ 2.79Å |
| 96 | E | 95.2 | Very high | 93 | Very high | 39 Ų | 39 | 74 Ų | 74 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.9 | 174.3 | -168.9 | 175.4 | 133.6 | 0 | 0 | 110.1 | K98 R110 Y112 | E96-K98 HydrophobicContact CG-CG 4.26Å; E96-K98 PolarHBondContact O-N 3.18Å; E96-R110 IonicContact OE1-NH1 3.32Å; E96-R110 PolarHBondContact OE1-NH1 3.45Å; E96-R110 IonicContact OE2-CZ 3.94Å; E96-R110 IonicContact OE2-NH1 2.82Å; E96-R110 PolarHBondContact OE2-NH1 3.42Å; E96-Y112 HydrophobicContact CB-CD1 3.87Å; E96-Y112 HydrophobicContact CB-CE1 3.53Å; E96-Y112 HydrophobicContact CG-CD1 4.21Å; E96-Y112 HydrophobicContact CG-CE1 3.7Å; E96-Y112 PolarHBondContact OE2-OH 2.9Å |
| 97 | V | 95.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 77.4 Ų | 77.4 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | trans | -87.6 | 86.2 | 173.6 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | E95 D99 K100 S101 V111 K113 | E95-V97 PolarHBondContact O-N 3.21Å; V97-D99 VanDerWaalsContact C-N 3.27Å; V97-D99 PolarHBondContact O-N 3.48Å; V97-K100 HydrophobicContact CG1-CB 4.16Å; V97-K100 HydrophobicContact CG1-CD 4.1Å; V97-K100 HydrophobicContact CG1-CG 3.91Å; V97-K100 PolarHBondContact O-N 3.47Å; V97-S101 PolarHBondContact O-N 3.37Å; V97-S101 PolarHBondContact O-OG 2.91Å; V97-V111 HydrophobicContact CB-CB 4.38Å; V97-V111 HydrophobicContact CB-CG1 4.16Å; V97-V111 PolarHBondContact N-O 3.45Å; V97-K113 HydrophobicContact CG2-CB 3.93Å | ||
| 98 | K | 93.9 | Very high | 92.6 | Very high | 132 Ų | 132 | 76.8 Ų | 76.8 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -60.7 | -35.5 | -174.7 | -67.9 | 178.2 | -177 | 173.9 | 0 | 112.9 | E96 K100 S101 | E96-K98 HydrophobicContact CG-CG 4.26Å; E96-K98 PolarHBondContact O-N 3.18Å; K98-K100 PolarHBondContact O-N 3.1Å; K98-S101 WeakPolarHBondContact O-CB 3.29Å; K98-S101 PolarHBondContact O-N 2.82Å |
| 99 | D | 94 | Very high | 92.7 | Very high | 161 Ų | 161 | 78.8 Ų | 78.8 | 86% | 0.861 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -64.7 | -27 | -176 | -51.8 | -31.9 | 0 | 0 | 0 | 113 | V97 | V97-D99 VanDerWaalsContact C-N 3.27Å; V97-D99 PolarHBondContact O-N 3.48Å |
| 100 | K | 92.1 | Very high | 92.8 | Very high | 125 Ų | 125 | 77 Ų | 77 | 54% | 0.543 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -98.3 | -2.7 | 178.4 | -59.8 | -172.5 | 179.8 | -167 | 0 | 112.9 | V97 K98 F109 V111 | V97-K100 HydrophobicContact CG1-CB 4.16Å; V97-K100 HydrophobicContact CG1-CD 4.1Å; V97-K100 HydrophobicContact CG1-CG 3.91Å; V97-K100 PolarHBondContact O-N 3.47Å; K98-K100 PolarHBondContact O-N 3.1Å; K100-F109 VanDerWaalsContact O-CE2 3.28Å; K100-F109 WeakPolarHBondContact O-CE2 3.42Å; K100-V111 HydrophobicContact CB-CB 4.06Å; K100-V111 HydrophobicContact CB-CG1 4.21Å; K100-V111 HydrophobicContact CB-CG2 3.9Å; K100-V111 VanDerWaalsContact O-CG2 3.29Å; K100-V111 WeakPolarHBondContact O-CG2 3.31Å |
| 101 | S | 94.7 | Very high | 93 | Very high | 16 Ų | 16 | 73.1 Ų | 73.1 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | trans | -92.1 | 132.2 | -173 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | V97 K98 V111 | V97-S101 PolarHBondContact O-N 3.37Å; V97-S101 PolarHBondContact O-OG 2.91Å; K98-S101 WeakPolarHBondContact O-CB 3.29Å; K98-S101 PolarHBondContact O-N 2.82Å; S101-V111 PolarHBondContact OG-N 2.85Å | ||
| 102 | I | 94.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 71.6 Ų | 71.6 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -105.5 | 109.3 | 177.5 | -58.4 | -175.5 | 0 | 0 | 0 | 109.5 | K104 A108 F109 | I102-K104 WeakPolarHBondContact CG2-O 3.43Å; I102-A108 CarbonylContact O-C 3.49Å; I102-A108 VanDerWaalsContact O-CA 3.31Å; I102-A108 WeakPolarHBondContact O-CA 3.41Å; I102-F109 CarbonylContact C-O 3.54Å; I102-F109 HydrophobicContact CB-CD1 4.31Å; I102-F109 HydrophobicContact CB-CE1 3.97Å; I102-F109 HydrophobicContact CB-CZ 4.09Å; I102-F109 HydrophobicContact CD1-CE1 3.61Å; I102-F109 HydrophobicContact CD1-CZ 3.57Å; I102-F109 HydrophobicContact CG1-CE1 3.87Å; I102-F109 HydrophobicContact CG1-CE2 4.24Å; I102-F109 HydrophobicContact CG1-CZ 3.61Å; I102-F109 PolarHBondContact N-O 3.42Å; I102-F109 PolarHBondContact O-N 3.26Å |
| 103 | K | 91.7 | Very high | 93.4 | Very high | 128 Ų | 128 | 68.2 Ų | 68.2 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | trans | -90.7 | -8.9 | -173.3 | -60.2 | 175.4 | -175.1 | 170.8 | 0 | 114.4 | ||||
| 104 | K | 89.8 | Confident | 93.5 | Very high | 170 Ų | 170 | 67.4 Ų | 67.4 | 74% | 0.739 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -123.2 | 157 | -172.6 | -64.2 | -175.5 | 179.3 | -178.6 | 0 | 110.6 | I102 | I102-K104 WeakPolarHBondContact CG2-O 3.43Š|
| 105 | G | 89.4 | Confident | 93.4 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 90.8 | 178.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 106 | T | 87.3 | Confident | 93.1 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -39.6 | 178.1 | -45.3 | 0 | 0 | 0 | 0 | 110.9 | M42 A108 | M42-T106 HydrophobicContact SD-CG2 3.88Å; T106-A108 PolarHBondContact O-N 3.16Å; T106-A108 VanDerWaalsContact O-N 3.13Å |
| 107 | N | 89.1 | Confident | 92.1 | Very high | 140 Ų | 140 | 68.1 Ų | 68.1 | 75% | 0.749 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 38.9 | 178.1 | -60.9 | -30.6 | 0 | 0 | 0 | 112.3 | F109 | N107-F109 VanDerWaalsContact O-CD1 3.26Å; N107-F109 WeakPolarHBondContact O-CD1 3.29Å; N107-F109 PolarHBondContact O-N 3.09Å |
| 108 | A | 94 | Very high | 90.9 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 5% | 0.05 | 37% | 0.372 | C | S | . | . | trans | -66.2 | 133.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | W41 I102 T106 | W41-A108 PolarHBondContact N-O 2.58Å; I102-A108 CarbonylContact O-C 3.49Å; I102-A108 VanDerWaalsContact O-CA 3.31Å; I102-A108 WeakPolarHBondContact O-CA 3.41Å; T106-A108 PolarHBondContact O-N 3.16Å; T106-A108 VanDerWaalsContact O-N 3.13Å | ||
| 109 | F | 96.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.4 | 177.5 | 63.4 | -97.8 | 0 | 0 | 0 | 112.1 | Q38 I39 K100 I102 N107 V111 | Q38-F109 HydrophobicContact CB-CD2 4.22Å; I39-F109 CarbonylContact O-C 3.44Å; I39-F109 VanDerWaalsContact O-CA 3.26Å; I39-F109 WeakPolarHBondContact O-CA 3.3Å; I39-F109 WeakPolarHBondContact O-CB 3.47Å; K100-F109 VanDerWaalsContact O-CE2 3.28Å; K100-F109 WeakPolarHBondContact O-CE2 3.42Å; I102-F109 CarbonylContact C-O 3.54Å; I102-F109 HydrophobicContact CB-CD1 4.31Å; I102-F109 HydrophobicContact CB-CE1 3.97Å; I102-F109 HydrophobicContact CB-CZ 4.09Å; I102-F109 HydrophobicContact CD1-CE1 3.61Å; I102-F109 HydrophobicContact CD1-CZ 3.57Å; I102-F109 HydrophobicContact CG1-CE1 3.87Å; I102-F109 HydrophobicContact CG1-CE2 4.24Å; I102-F109 HydrophobicContact CG1-CZ 3.61Å; I102-F109 PolarHBondContact N-O 3.42Å; I102-F109 PolarHBondContact O-N 3.26Å; N107-F109 VanDerWaalsContact O-CD1 3.26Å; N107-F109 WeakPolarHBondContact O-CD1 3.29Å; N107-F109 PolarHBondContact O-N 3.09Å; F109-V111 HydrophobicContact CD2-CG2 3.79Å; F109-V111 HydrophobicContact CE2-CG2 3.65Å |
| 110 | R | 96.6 | Very high | 88.5 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137 | 172.5 | -67.9 | -173.4 | -178.4 | -135.3 | -0.1 | 110.1 | Q38 I39 W41 E96 Y112 | Q38-R110 CarbonylContact C-O 3.54Å; Q38-R110 VanDerWaalsContact CA-O 3.31Å; Q38-R110 WeakPolarHBondContact CA-O 3.32Å; I39-R110 PolarHBondContact N-O 2.83Å; I39-R110 PolarHBondContact O-N 3.05Å; W41-R110 HydrophobicContact CB-CG 4Å; W41-R110 HydrophobicContact CD2-CG 4.13Å; W41-R110 HydrophobicContact CE3-CB 4.43Å; W41-R110 HydrophobicContact CE3-CG 4.35Å; W41-R110 HydrophobicContact CG-CG 3.96Å; E96-R110 IonicContact OE1-NH1 3.32Å; E96-R110 PolarHBondContact OE1-NH1 3.45Å; E96-R110 IonicContact OE2-CZ 3.94Å; E96-R110 IonicContact OE2-NH1 2.82Å; E96-R110 PolarHBondContact OE2-NH1 3.42Å; R110-Y112 HydrophobicContact CB-CD2 4.22Å; R110-Y112 HydrophobicContact CB-CE2 3.45Å; R110-Y112 VanDerWaalsContact CB-CE2 3.45Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å |
| 111 | V | 97.1 | Very high | 87 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.3 | 178 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I36 F37 Q38 V97 K100 S101 F109 | I36-V111 HydrophobicContact CG2-CG1 3.47Å; I36-V111 VanDerWaalsContact CG2-CG1 3.47Å; F37-V111 WeakPolarHBondContact O-CA 3.47Å; Q38-V111 HydrophobicContact CB-CG2 4.34Å; V97-V111 HydrophobicContact CB-CB 4.38Å; V97-V111 HydrophobicContact CB-CG1 4.16Å; V97-V111 PolarHBondContact N-O 3.45Å; K100-V111 HydrophobicContact CB-CB 4.06Å; K100-V111 HydrophobicContact CB-CG1 4.21Å; K100-V111 HydrophobicContact CB-CG2 3.9Å; K100-V111 VanDerWaalsContact O-CG2 3.29Å; K100-V111 WeakPolarHBondContact O-CG2 3.31Å; S101-V111 PolarHBondContact OG-N 2.85Å; F109-V111 HydrophobicContact CD2-CG2 3.79Å; F109-V111 HydrophobicContact CE2-CG2 3.65Å |
| 112 | Y | 96.6 | Very high | 85.4 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.3 | 178.9 | -68.7 | -85 | 0 | 0 | 0 | 110.1 | I36 F37 I39 M88 I94 E95 E96 R110 | I36-Y112 WeakPolarHBondContact CA-O 3.16Å; F37-Y112 WeakPolarHBondContact CD1-O 3.25Å; F37-Y112 HydrophobicContact CE2-CD2 4.16Å; F37-Y112 HydrophobicContact CE2-CG 4.22Å; F37-Y112 HydrophobicContact CZ-CD2 4.49Å; F37-Y112 HydrophobicContact CZ-CG 4.1Å; F37-Y112 PolarHBondContact N-O 3.1Å; F37-Y112 PolarHBondContact O-N 3.44Å; I39-Y112 HydrophobicContact CD1-CD2 3.9Å; I39-Y112 HydrophobicContact CD1-CE2 4.01Å; I39-Y112 HydrophobicContact CG1-CD2 4.27Å; M88-Y112 HydrophobicContact CE-CD1 4.31Å; M88-Y112 HydrophobicContact CE-CD2 4.1Å; M88-Y112 HydrophobicContact CE-CE1 3.67Å; M88-Y112 HydrophobicContact CE-CE2 3.41Å; M88-Y112 VanDerWaalsContact CE-CE2 3.41Å; M88-Y112 WeakPolarHBondContact CE-OH 3.26Å; M88-Y112 HydrophobicContact SD-CE2 4.42Å; I94-Y112 HydrophobicContact CG2-CD1 3.89Å; I94-Y112 HydrophobicContact CG2-CG 4.28Å; E95-Y112 CarbonylContact O-C 3.57Å; E95-Y112 VanDerWaalsContact O-CA 3.32Å; E95-Y112 WeakPolarHBondContact O-CA 3.43Å; E96-Y112 HydrophobicContact CB-CD1 3.87Å; E96-Y112 HydrophobicContact CB-CE1 3.53Å; E96-Y112 HydrophobicContact CG-CD1 4.21Å; E96-Y112 HydrophobicContact CG-CE1 3.7Å; E96-Y112 PolarHBondContact OE2-OH 2.9Å; R110-Y112 HydrophobicContact CB-CD2 4.22Å; R110-Y112 HydrophobicContact CB-CE2 3.45Å; R110-Y112 VanDerWaalsContact CB-CE2 3.45Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å |
| 113 | K | 95.7 | Very high | 83.8 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.2 | 174.5 | -177.3 | -179.8 | 176.5 | -167.9 | 0 | 109.4 | I36 I94 E95 V97 L115 E119 | I36-K113 HydrophobicContact CG1-CB 4.2Å; I36-K113 HydrophobicContact CG1-CD 4.29Å; I36-K113 HydrophobicContact CG1-CG 3.95Å; I94-K113 WeakPolarHBondContact CA-O 3.45Å; E95-K113 PolarHBondContact N-O 2.88Å; E95-K113 PolarHBondContact O-N 3.25Å; V97-K113 HydrophobicContact CG2-CB 3.93Å; K113-L115 HydrophobicContact CD-CD2 4.38Å; K113-E119 WeakPolarHBondContact CE-OE1 3.33Å; K113-E119 IonicContact NZ-OE1 3.02Å; K113-E119 PolarHBondContact NZ-OE1 3.24Å |
| 114 | M | 94.6 | Very high | 82.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.8 | 169.7 | -50.9 | -167.7 | -179.8 | 0 | 0 | 109.5 | R12 L15 E16 I19 W29 R35 F37 D93 I94 | R12-M114 HydrophobicContact CG-SD 4.38Å; L15-M114 HydrophobicContact CB-CE 4.49Å; L15-M114 HydrophobicContact CD2-CE 4.07Å; L15-M114 HydrophobicContact CG-CE 4.17Å; E16-M114 HydrophobicContact CG-CE 3.57Å; E16-M114 HydrophobicContact CG-SD 3.3Å; E16-M114 WeakPolarHBondContact CG-SD 3.32Å; I19-M114 HydrophobicContact CD1-CE 3.79Å; W29-M114 HydrophobicContact CH2-CE 4.06Å; W29-M114 HydrophobicContact CH2-SD 4.1Å; R35-M114 HydrophobicContact CB-CB 3.9Å; R35-M114 HydrophobicContact CB-CG 4.44Å; R35-M114 PolarHBondContact O-N 2.93Å; F37-M114 HydrophobicContact CD1-CE 3.87Å; F37-M114 HydrophobicContact CD1-CG 4.04Å; F37-M114 HydrophobicContact CE1-CE 3.39Å; F37-M114 HydrophobicContact CE1-CG 3.43Å; F37-M114 VanDerWaalsContact CE1-CG 3.43Å; F37-M114 HydrophobicContact CE1-SD 4.23Å; F37-M114 HydrophobicContact CZ-CE 3.73Å; F37-M114 HydrophobicContact CZ-CG 4.38Å; D93-M114 CarbonylContact O-C 3.53Å; D93-M114 WeakPolarHBondContact O-CA 3.33Å; I94-M114 HydrophobicContact CD1-CE 4.44Å; I94-M114 HydrophobicContact CG1-CG 4.35Å |
| 115 | L | 91.6 | Very high | 80.4 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 130.5 | 176.8 | -58.4 | 177.9 | 0 | 0 | 0 | 109.6 | R12 D93 K113 E119 K120 K123 | R12-L115 PolarHBondContact NH1-O 3.25Å; R12-L115 PolarHBondContact NH2-O 3.26Å; R12-L115 VanDerWaalsContact NH2-O 3.11Å; D93-L115 PolarHBondContact O-N 3.45Å; K113-L115 HydrophobicContact CD-CD2 4.38Å; L115-E119 HydrophobicContact CB-CB 4.38Å; L115-E119 HydrophobicContact CD2-CB 4.38Å; L115-K120 HydrophobicContact CB-CG 4.13Å; L115-K120 WeakPolarHBondContact O-CE 3.49Å; L115-K123 HydrophobicContact CD1-CD 4.42Å |
| 116 | S | 85.9 | Confident | 78.6 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 158.2 | 166.4 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | T118 E119 K120 | S116-T118 PolarHBondContact O-N 3Å; S116-T118 VanDerWaalsContact O-N 3.16Å; S116-E119 WeakPolarHBondContact CB-OE2 3.26Å; S116-E119 PolarHBondContact N-OE2 3.06Å; S116-E119 PolarHBondContact O-N 3.24Å; S116-E119 VanDerWaalsContact OG-CG 3.28Å; S116-E119 WeakPolarHBondContact OG-CG 3.06Å; S116-E119 PolarHBondContact OG-N 3.39Å; S116-E119 PolarHBondContact OG-OE2 3.14Å; S116-K120 WeakPolarHBondContact O-CG 3.45Å; S116-K120 PolarHBondContact O-N 3.36Å |
| 117 | S | 75.4 | Confident | 76.7 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -53.1 | -36.3 | 177 | -49.4 | 0 | 0 | 0 | 0 | 112.3 | K120 | S117-K120 WeakPolarHBondContact O-CB 3.24Å; S117-K120 PolarHBondContact O-N 3.32Å |
| 118 | T | 69.8 | Low | 74.7 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 60% | 0.595 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.9 | -36 | 178.1 | -44.4 | 0 | 0 | 0 | 0 | 112.9 | S116 K120 S121 L122 | S116-T118 PolarHBondContact O-N 3Å; S116-T118 VanDerWaalsContact O-N 3.16Å; T118-K120 VanDerWaalsContact C-N 3.29Å; T118-K120 PolarHBondContact O-N 3.07Å; T118-S121 PolarHBondContact O-N 3.07Å; T118-S121 PolarHBondContact O-OG 2.71Å; T118-L122 PolarHBondContact O-N 3.31Å |
| 119 | E | 72.2 | Confident | 72.5 | Confident | 62 Ų | 62 | 82.5 Ų | 82.5 | 29% | 0.29 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.8 | -27.4 | 175.9 | -72.8 | 167.3 | 112.7 | 0 | 0 | 112.4 | K113 L115 S116 K123 | K113-E119 WeakPolarHBondContact CE-OE1 3.33Å; K113-E119 IonicContact NZ-OE1 3.02Å; K113-E119 PolarHBondContact NZ-OE1 3.24Å; L115-E119 HydrophobicContact CB-CB 4.38Å; L115-E119 HydrophobicContact CD2-CB 4.38Å; S116-E119 WeakPolarHBondContact CB-OE2 3.26Å; S116-E119 PolarHBondContact N-OE2 3.06Å; S116-E119 PolarHBondContact O-N 3.24Å; S116-E119 VanDerWaalsContact OG-CG 3.28Å; S116-E119 WeakPolarHBondContact OG-CG 3.06Å; S116-E119 PolarHBondContact OG-N 3.39Å; S116-E119 PolarHBondContact OG-OE2 3.14Å; E119-K123 PolarHBondContact O-N 3.33Å |
| 120 | K | 65.3 | Low | 70.2 | Confident | 72 Ų | 72 | 88 Ų | 88 | 31% | 0.313 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174.3 | -61.6 | 172.9 | -162.4 | -169.2 | 0 | 111.8 | D93 L115 S116 S117 T118 K124 | D93-K120 HydrophobicContact CB-CD 4.18Å; D93-K120 IonicContact OD2-NZ 3Å; D93-K120 PolarHBondContact OD2-NZ 3.2Å; L115-K120 HydrophobicContact CB-CG 4.13Å; L115-K120 WeakPolarHBondContact O-CE 3.49Å; S116-K120 WeakPolarHBondContact O-CG 3.45Å; S116-K120 PolarHBondContact O-N 3.36Å; S117-K120 WeakPolarHBondContact O-CB 3.24Å; S117-K120 PolarHBondContact O-N 3.32Å; T118-K120 VanDerWaalsContact C-N 3.29Å; T118-K120 PolarHBondContact O-N 3.07Å; K120-K124 PolarHBondContact O-N 3.16Å |
| 121 | S | 61 | Low | 67.8 | Low | 72 Ų | 72 | 94.3 Ų | 94.3 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.4 | -38.5 | -178.6 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | T118 K123 K124 G125 | T118-S121 PolarHBondContact O-N 3.07Å; T118-S121 PolarHBondContact O-OG 2.71Å; S121-K123 PolarHBondContact O-N 3.17Å; S121-K124 PolarHBondContact O-N 3.44Å; S121-G125 PolarHBondContact O-N 3.49Å |
| 122 | L | 61.3 | Low | 64.8 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -38.4 | 177.7 | -67 | 171.9 | 0 | 0 | 0 | 112.9 | T118 K124 G125 K126 | T118-L122 PolarHBondContact O-N 3.31Å; L122-K124 VanDerWaalsContact C-N 3.35Å; L122-G125 PolarHBondContact O-N 2.88Å; L122-K126 PolarHBondContact O-N 2.84Å |
| 123 | K | 58.5 | Low | 61.9 | Low | 114 Ų | 114 | 106.8 Ų | 106.8 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.5 | -30.7 | 175.3 | -74.2 | -166.2 | 170.7 | -164.7 | 0 | 112.9 | E95 L115 E119 S121 | E95-K123 IonicContact OE1-NZ 3.77Å; E95-K123 PolarHBondContact OE1-NZ 3.46Å; E95-K123 IonicContact OE2-NZ 3.36Å; E95-K123 PolarHBondContact OE2-NZ 2.79Å; L115-K123 HydrophobicContact CD1-CD 4.42Å; E119-K123 PolarHBondContact O-N 3.33Å; S121-K123 PolarHBondContact O-N 3.17Å |
| 124 | K | 56.9 | Low | 59.3 | Low | 175 Ų | 175 | 114.6 Ų | 114.6 | 76% | 0.761 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.2 | -30.1 | 175.9 | -161 | 172.1 | -178.3 | -178.6 | 0 | 112.6 | K120 S121 L122 | K120-K124 PolarHBondContact O-N 3.16Å; S121-K124 PolarHBondContact O-N 3.44Å; L122-K124 VanDerWaalsContact C-N 3.35Å |
| 125 | G | 53.5 | Low | 56.6 | Low | 44 Ų | 44 | 120.2 Ų | 120.2 | 45% | 0.454 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -70.3 | -27.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | S121 L122 K127 K128 | S121-G125 PolarHBondContact O-N 3.49Å; L122-G125 PolarHBondContact O-N 2.88Å; G125-K127 PolarHBondContact O-N 2.86Å; G125-K128 PolarHBondContact O-N 3.39Å |
| 126 | K | 52.7 | Low | 53.8 | Low | 189 Ų | 189 | 129.8 Ų | 129.8 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -7.8 | -179.9 | -113.8 | -178.1 | 176.3 | -177.6 | 0 | 115.6 | L122 | L122-K126 PolarHBondContact O-N 2.84Š|
| 127 | K | 47.6 | Very low | 51.2 | Low | 198 Ų | 198 | 131.3 Ų | 131.3 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 4.1 | 174.4 | -86.8 | -165.4 | 173.6 | -172.3 | 0 | 114.3 | G125 | G125-K127 PolarHBondContact O-N 2.86Š|
| 128 | K | 47.1 | Very low | 49 | Very low | 191 Ų | 191 | 132 Ų | 132 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -125.7 | 13.9 | -174.3 | -76.3 | -81.8 | -172.1 | 174.3 | 0 | 113.9 | G125 | G125-K128 PolarHBondContact O-N 3.39Š|
| 129 | A | 48.1 | Very low | 47.3 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | -109.7 | 27.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 130 | D | 46.5 | Very low | 45.2 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -137.2 | 71.6 | 173.3 | -157 | -98.2 | 0 | 0 | 0 | 109.9 | ||||
| 131 | K | 45.9 | Very low | 43.5 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -166.1 | 117.5 | 153.7 | -129.9 | -177.4 | 176.6 | -172.9 | 0 | 110.5 | ||
| 132 | E | 35.1 | Very low | 42 | Very low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | 65.6 | 135.3 | 170.3 | -75.4 | -179.2 | 105 | 0 | 0 | 118.2 | ||||
| 133 | G | 36.3 | Very low | 40.5 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -168.4 | 148.1 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 134 | K | 39.5 | Very low | 39.3 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -90.2 | 123 | -179.3 | 173.4 | 154.5 | 179.5 | 163.6 | 0 | 109.8 | ||||
| 135 | S | 37.9 | Very low | 38.3 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -138.6 | 110.6 | 158.6 | 53 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 136 | K | 34 | Very low | 37.8 | Very low | 212 Ų | 212 | 141.9 Ų | 141.9 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -39.9 | 143.6 | 154.6 | -149.7 | 176.3 | -174.5 | -180 | 0 | 110.3 | ||||
| 137 | G | 30.2 | Very low | 36.9 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | cis | 164.4 | 154.5 | 2.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 138 | S | 30.1 | Very low | 36.1 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 175 | 112.8 | 148.8 | -172.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 139 | K | 33.7 | Very low | 35.3 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 70% | 0.7 | 79% | 0.792 | S | S | * | * | 42.1 | 129.2 | 95.8 | -102 | -169.9 | 171.7 | -124.1 | 0 | 112.6 | |||||
| 140 | E | 28.7 | Very low | 34.4 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | cis | -177.2 | 158.1 | 12.2 | -142.5 | 163.1 | -175.7 | 0 | 0 | 105.5 | ||||
| 141 | G | 29.1 | Very low | 33.6 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 152.1 | 93.6 | 162 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 142 | A | 30.3 | Very low | 32.8 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 35.8 | 111.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 143 | A | 29.8 | Very low | 32.7 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | 72.4 | 112.9 | 77.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 144 | L | 32.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | 148.3 | 120.8 | 123.1 | -78.3 | 166.1 | 0 | 0 | 0 | 112.5 | |||||
| 145 | S | 36 | Very low | 32 | Very low | 89 Ų | 89 | 128 Ų | 128 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | trans | -72.7 | 160.7 | 152 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 146 | P | 44 | Very low | 31.5 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -147.5 | 163.4 | 102 | 34.5 | -15.9 | 0 | 0 | 0 | 116.2 | |||||
| 147 | N | 33.8 | Very low | 32.3 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -71 | 158.3 | 177.3 | -41.7 | -34.9 | 0 | 0 | 0 | 112.3 | ||||
| 148 | T | 29.3 | Very low | 32.4 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | -154.8 | 136.1 | 147.6 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 149 | T | 31.2 | Very low | 32.5 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | trans | -115.3 | 156.7 | -177.1 | -45.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 150 | F | 28.7 | Very low | 32.6 | Very low | 190 Ų | 190 | 122.2 Ų | 122.2 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | 76.7 | 146.3 | 165.9 | -59.7 | -75.6 | 0 | 0 | 0 | 116.5 | ||||
| 151 | S | 30.5 | Very low | 33.1 | Very low | 87 Ų | 87 | 118.6 Ų | 118.6 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | cis | -166.2 | 147 | 3.8 | -110 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 152 | E | 28.1 | Very low | 33.4 | Very low | 184 Ų | 184 | 123.8 Ų | 123.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | 63 | 133.5 | 99.4 | -151 | 158.9 | -174.8 | 0 | 0 | 114.1 | |||||
| 153 | A | 33.6 | Very low | 33.6 | Very low | 60 Ų | 60 | 127.1 Ų | 127.1 | 50% | 0.496 | 75% | 0.745 | S | S | . | * | cis | -170.5 | -178.8 | 12.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 154 | H | 29.8 | Very low | 33.5 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | trans | 86.8 | 129.5 | 156.6 | -45.2 | -71.4 | 0 | 0 | 0 | 116.4 | ||||
| 155 | S | 31.7 | Very low | 33.3 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | cis | -159.1 | 141.3 | 37 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 156 | G | 27.6 | Very low | 32.9 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | -81.2 | -152.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 157 | P | 49.1 | Very low | 32.3 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | cis | -127.4 | 179 | 8 | 32 | -8.4 | 0 | 0 | 0 | 112.5 | ||||
| 158 | V | 32.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | -169.3 | 114.8 | 79.4 | -168.2 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 159 | D | 32.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | 57.9 | 136.8 | 98 | -133.8 | 19.8 | 0 | 0 | 0 | 115.2 | |||||
| 160 | C | 34.8 | Very low | 31.7 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 63% | 0.628 | 74% | 0.744 | S | S | * | * | cis | -170.4 | 136.2 | 42.4 | -154.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 161 | S | 39.5 | Very low | 31.9 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 57% | 0.573 | 74% | 0.742 | S | S | * | * | 62.6 | 143 | 128.4 | -73 | 0 | 0 | 0 | 0 | 123 | |||||
| 162 | K | 36.6 | Very low | 31.8 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | cis | -164.2 | 137.3 | 7.2 | -93.7 | 149.7 | -171.9 | 177.7 | 0 | 106.9 | ||||
| 163 | Q | 34.4 | Very low | 32 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | 60.4 | 140.7 | 83.2 | -100.1 | -156.1 | 9.7 | 0 | 0 | 115.1 | |||||
| 164 | L | 28.5 | Very low | 31.9 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | cis | -158.2 | 151.8 | 32.4 | -86.9 | 116 | 0 | 0 | 0 | 108.6 | ||||
| 165 | A | 27.6 | Very low | 32 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | 80 | 132.2 | 61.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 166 | L | 27.1 | Very low | 32.1 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | 73.3 | 143.2 | 165 | -67.3 | 149.1 | 0 | 0 | 0 | 116.1 | ||||
| 167 | K | 30.5 | Very low | 32.2 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | cis | -168 | 160.5 | 27 | -142.6 | 172.4 | 179.4 | -172.1 | 0 | 110.6 | ||||
| 168 | E | 31.4 | Very low | 31.6 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -33.9 | 145 | 158.8 | -173.8 | -177.2 | 173.9 | 0 | 0 | 117.3 | ||||
| 169 | E | 27.7 | Very low | 31.5 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -179.5 | 161.2 | 131.1 | -158.4 | 166.2 | 136.1 | 0 | 0 | 113.4 | ||||
| 170 | T | 23.6 | Very low | 31.5 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 61% | 0.613 | 77% | 0.766 | S | S | * | * | trans | -99.5 | 161.3 | -167.5 | -75.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 171 | R | 31.8 | Very low | 31.5 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 76.7 | 118.3 | 157.7 | -84.8 | 166.8 | -169.4 | 169.3 | 1.3 | 119.9 | ||||
| 172 | E | 29.9 | Very low | 31.6 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | 71.8 | 124.4 | 98.6 | -79.8 | -170.5 | 122.1 | 0 | 0 | 115.7 | |||||
| 173 | L | 31.3 | Very low | 31.4 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | -174.4 | 136.2 | 125.4 | -158.5 | 63.5 | 0 | 0 | 0 | 113.7 | |||||
| 174 | T | 31.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -51.4 | 152.7 | 163 | 13 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 175 | V | 33.2 | Very low | 32.8 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -154.5 | 127.3 | 137.2 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 176 | S | 33.3 | Very low | 33.1 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -91.1 | 154.1 | 167.5 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 177 | N | 29.6 | Very low | 33.5 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -165.7 | 155.6 | 133.3 | -147.8 | 51.4 | 0 | 0 | 0 | 114 | ||||
| 178 | S | 36.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -99.6 | 167.4 | -159.1 | -42.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 179 | G | 30.7 | Very low | 34.6 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | 123.7 | 137.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 180 | S | 33.7 | Very low | 35 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 98.3 | 103.5 | 165.4 | -160.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 181 | A | 34 | Very low | 36.1 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 66% | 0.661 | 81% | 0.805 | S | S | * | * | 71.7 | 114.9 | 61.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 182 | L | 40.4 | Very low | 36.2 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -169.3 | 148.5 | 137.8 | -88.3 | -176.1 | 0 | 0 | 0 | 110.1 | ||||
| 183 | H | 32.7 | Very low | 36.9 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -92.2 | 147.6 | -157.3 | -72.1 | -113.7 | 0 | 0 | 0 | 116.5 | ||||
| 184 | S | 35.6 | Very low | 37.6 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | 19.1 | 168.6 | 132.8 | -108.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 185 | P | 57.1 | Low | 38.5 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -144.7 | 177.9 | 11.4 | 37.2 | -14.6 | 0 | 0 | 0 | 119.3 | ||||
| 186 | A | 34.5 | Very low | 39.4 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | 96.8 | 115.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 187 | G | 35.8 | Very low | 40.2 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 163.4 | 73 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 188 | D | 38.7 | Very low | 41.1 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -67.1 | 120.2 | -177.1 | -71.8 | -41 | 0 | 0 | 0 | 114.3 | ||||
| 189 | H | 45.5 | Very low | 41.8 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -149.1 | 96.8 | 144.2 | -41.9 | -71.8 | 0 | 0 | 0 | 110.3 | ||||
| 190 | L | 37.4 | Very low | 42.5 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -82.7 | 119.9 | 174.9 | 179.7 | 74.3 | 0 | 0 | 0 | 109.6 | ||||
| 191 | I | 45.6 | Very low | 43.5 | Very low | 154 Ų | 154 | 140 Ų | 140 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -114.7 | 125.5 | 160.7 | -62.5 | -69.5 | 0 | 0 | 0 | 108.4 | ||||
| 192 | H | 35 | Very low | 44.6 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -74 | 122.1 | -171.3 | -159.9 | -100.6 | 0 | 0 | 0 | 111.1 | ||||
| 193 | C | 42.9 | Very low | 45.7 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -99.2 | 82.7 | 172.3 | -69.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 194 | E | 46.6 | Very low | 47 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -126.7 | 107.4 | 163.5 | -76.8 | -93.1 | 136.8 | 0 | 0 | 105.9 | ||||
| 195 | Q | 50.4 | Low | 47.9 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 151.6 | 77.4 | 153.7 | -160 | 78.8 | 3.5 | 0 | 0 | 110.6 | ||||
| 196 | L | 51.6 | Low | 47.3 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -124.9 | 117.5 | 157 | -73.9 | 175.8 | 0 | 0 | 0 | 107.5 | D198 | L196-D198 PolarHBondContact O-N 2.93Š| ||
| 197 | P | 50.3 | Low | 48.5 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -79.9 | 112.8 | 172.1 | 29.5 | -27.6 | 0 | 0 | 0 | 109.3 | ||||
| 198 | D | 48.5 | Very low | 49.4 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -82.7 | 135.7 | 161.4 | -163.1 | 10.5 | 0 | 0 | 0 | 108.5 | L196 | L196-D198 PolarHBondContact O-N 2.93Š| ||
| 199 | V | 50.1 | Low | 49.6 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -178 | 100 | 151.5 | 146.7 | 0 | 0 | 0 | 0 | 107.9 | Q201 | V199-Q201 HydrophobicContact CG1-CB 4.14Š| ||
| 200 | C | 45.8 | Very low | 49.8 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -77.5 | 108.6 | 154.3 | -62.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 201 | Q | 54.9 | Low | 50.2 | Low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -102.2 | 99.6 | 168.7 | -166.1 | 148.2 | 22.2 | 0 | 0 | 109.6 | V199 I203 | V199-Q201 HydrophobicContact CG1-CB 4.14Å; Q201-I203 PolarHBondContact O-N 3.16Å | ||
| 202 | T | 58.2 | Low | 50 | Low | 125 Ų | 125 | 145.6 Ų | 145.6 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 115.4 | 168.9 | -55.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 203 | I | 63 | Low | 50.7 | Low | 145 Ų | 145 | 145.1 Ų | 145.1 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -94.8 | 113.4 | 172.4 | 27.8 | 168.4 | 0 | 0 | 0 | 108.7 | Q201 | Q201-I203 PolarHBondContact O-N 3.16Š| ||
| 204 | E | 58.8 | Low | 50.4 | Low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -79 | 120.9 | 167.3 | -62.3 | -174.7 | 155.8 | 0 | 0 | 108.3 | ||||
| 205 | V | 56 | Low | 50.7 | Low | 123 Ų | 123 | 143.3 Ų | 143.3 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -98.7 | 98.6 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | T207 | V205-T207 HydrophobicContact CG1-CG2 4.12Š| ||
| 206 | T | 44.3 | Very low | 50.4 | Low | 112 Ų | 112 | 140.6 Ų | 140.6 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -87.4 | 127.2 | 160.7 | 48.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 207 | T | 60.1 | Low | 50.3 | Low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -121.7 | 93.1 | 163.2 | 56.2 | 0 | 0 | 0 | 0 | 107.9 | V205 | V205-T207 HydrophobicContact CG1-CG2 4.12Š| ||
| 208 | E | 53.9 | Low | 49.9 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -103.5 | 97 | 167.1 | 42.6 | 166.8 | -178.1 | 0 | 0 | 108.3 | ||||
| 209 | N | 43.8 | Very low | 49.5 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -143.7 | 96.6 | 168.4 | -68.1 | 93 | 0 | 0 | 0 | 110.3 | ||||
| 210 | E | 49.1 | Very low | 49.2 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -64.7 | 143.2 | 161.4 | 169.4 | 176.7 | 103.5 | 0 | 0 | 110.5 | ||||
| 211 | D | 46.1 | Very low | 49.2 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | 60 | 98.1 | 161.7 | -56.3 | -23.7 | 0 | 0 | 0 | 120.5 | ||||
| 212 | Q | 41.7 | Very low | 48.9 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -160 | 115.5 | 127.3 | -108.1 | 164.8 | 92.9 | 0 | 0 | 112 | |||||
| 213 | T | 49 | Very low | 48.8 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 117.2 | 172.3 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 214 | V | 37.3 | Very low | 48 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -140.2 | 106 | 151.6 | -160.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 215 | S | 51.1 | Low | 47.4 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -63.2 | 128.1 | 165.3 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 216 | S | 45.7 | Very low | 47.2 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -148.2 | 115 | 149.2 | 67 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 217 | S | 48.2 | Very low | 47 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 128.4 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 218 | H | 41.8 | Very low | 46.4 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -139.9 | 105.2 | 154.9 | -104.4 | -54 | 0 | 0 | 0 | 111.1 | ||||
| 219 | S | 41.5 | Very low | 46 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -73.8 | 121.6 | 174.6 | -56 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 220 | Y | 43.5 | Very low | 45.9 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -101.1 | 130.6 | 163.5 | -87 | -87.1 | 0 | 0 | 0 | 109.9 | L222 | Y220-L222 PolarHBondContact O-N 3.13Š| ||
| 221 | P | 45.7 | Very low | 45.6 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 100.2 | 177.7 | 30.7 | -29.8 | 0 | 0 | 0 | 109.5 | Q223 | P221-Q223 PolarHBondContact O-N 3.15Š| ||
| 222 | L | 49 | Very low | 45.3 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 112.5 | 168.4 | -66.2 | 176 | 0 | 0 | 0 | 108.7 | Y220 I224 | Y220-L222 PolarHBondContact O-N 3.13Å; L222-I224 PolarHBondContact O-N 2.83Å | ||
| 223 | Q | 55.2 | Low | 45.3 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124 | 173.7 | -65.7 | -170 | -91.5 | 0 | 0 | 110.1 | P221 | P221-Q223 PolarHBondContact O-N 3.15Š|
| 224 | I | 46.7 | Very low | 45 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79 | 127.6 | -176.1 | -57.1 | 157.9 | 0 | 0 | 0 | 108.7 | L222 | L222-I224 PolarHBondContact O-N 2.83Š|
| 225 | S | 44.8 | Very low | 45.1 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.6 | 166.9 | -86.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 226 | P | 51.8 | Low | 44.3 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 132.2 | -179.8 | -10.4 | 25.7 | 0 | 0 | 0 | 111.8 | ||
| 227 | V | 41.5 | Very low | 44 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -107 | 135.7 | 169.6 | -124.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 228 | S | 46.3 | Very low | 43.3 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 51.8 | 122.5 | 159.3 | 70.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 229 | S | 46.4 | Very low | 43.2 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -109.6 | 104.1 | 147.1 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 230 | C | 41 | Very low | 43 | Very low | 121 Ų | 121 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 120.4 | 158.3 | -63.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 231 | C | 43.6 | Very low | 42.6 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -116.2 | 110.1 | 161.9 | -170.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 232 | G | 39.6 | Very low | 42.1 | Very low | 57 Ų | 57 | 130.1 Ų | 130.1 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | trans | -88.2 | 158.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 233 | S | 41.7 | Very low | 41.5 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | -171.2 | 129.7 | 129 | -75.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 234 | D | 41.5 | Very low | 40.4 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -76.5 | -177.8 | 172 | -63.6 | -74.4 | 0 | 0 | 0 | 112.8 | ||||
| 235 | T | 41.1 | Very low | 39.7 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 101.2 | 134.1 | 168.8 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 236 | E | 34.3 | Very low | 39.1 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | cis | -176.1 | 147.2 | 9.7 | 159.1 | -173 | 125.8 | 0 | 0 | 109.5 | ||||
| 237 | S | 39.3 | Very low | 38.2 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | trans | 48.5 | 126.8 | 147.3 | -48.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 238 | D | 33.6 | Very low | 38.3 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | 79.2 | 142.9 | 107.2 | -82.7 | -62 | 0 | 0 | 0 | 113.9 | |||||
| 239 | T | 38.1 | Very low | 37.8 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | cis | -165.7 | 151.4 | 15.9 | -6.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 240 | E | 38.4 | Very low | 37.1 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | 34.9 | 151.5 | 141 | -8.1 | -161.8 | 145.2 | 0 | 0 | 120.2 | ||||
| 241 | D | 35.3 | Very low | 37 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | cis | 176.7 | 133.5 | 36.7 | 172.3 | -110.3 | 0 | 0 | 0 | 108 | ||||
| 242 | N | 34.1 | Very low | 36.4 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | trans | 71 | 155.2 | 138.2 | -152.9 | -16.1 | 0 | 0 | 0 | 123.9 | ||||
| 243 | R | 36.7 | Very low | 36.2 | Very low | 202 Ų | 202 | 148 Ų | 148 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 99.3 | 127.1 | 144.6 | 58.7 | -179.6 | 176.5 | -69 | -6.2 | 121.5 | ||||
| 244 | E | 33.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 166.9 | 177.4 | -55.1 | 172.5 | 116.1 | 0 | 0 | 112.3 | ||||
| 245 | A | 30.9 | Very low | 36.1 | Very low | 84 Ų | 84 | 149.7 Ų | 149.7 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | trans | 79.3 | 121.1 | 141.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 246 | L | 32.2 | Very low | 35.9 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | 79.1 | 136.8 | 143.4 | -59.3 | 162.9 | 0 | 0 | 0 | 118.4 | ||||
| 247 | G | 33.6 | Very low | 36.4 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -69.5 | -159.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 248 | P | 42.7 | Very low | 36.7 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | cis | -131.7 | 175.4 | 18.1 | 40.3 | -21.8 | 0 | 0 | 0 | 115.6 | ||||
| 249 | T | 36.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 155 Ų | 155 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -12.4 | 128.9 | 159.4 | 40.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 250 | W | 32.4 | Very low | 37.9 | Very low | 258 Ų | 258 | 157.5 Ų | 157.5 | 98% | 0.977 | 79% | 0.791 | S | S | * | * | trans | -142.3 | 130.7 | 136.1 | -77.1 | -17.1 | 0 | 0 | 0 | 110.4 | ||||
| 251 | K | 37.5 | Very low | 38.3 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -68.4 | 138 | 174.5 | -84.7 | -157.5 | 170.3 | -162.4 | 0 | 111 | ||||
| 252 | R | 31.1 | Very low | 38.9 | Very low | 219 Ų | 219 | 153.8 Ų | 153.8 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -149.5 | 119.4 | 147.2 | -168.3 | 151 | -74.6 | 171.1 | -3.5 | 110 | Y254 | R252-Y254 HydrophobicContact CG-CD2 4.32Å; R252-Y254 HydrophobicContact CG-CE2 4.01Å | ||
| 253 | E | 35.2 | Very low | 39.5 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 130.6 | 176.7 | -65.9 | 178.9 | 171.5 | 0 | 0 | 110.2 | ||||
| 254 | Y | 39.6 | Very low | 40.5 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -144.8 | 147.9 | 153.9 | -82.1 | -72.4 | 0 | 0 | 0 | 109.3 | R252 | R252-Y254 HydrophobicContact CG-CD2 4.32Å; R252-Y254 HydrophobicContact CG-CE2 4.01Å | ||
| 255 | P | 42.9 | Very low | 41.4 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 135.9 | -158 | 29.8 | -34.8 | 0 | 0 | 0 | 113.5 | V257 | P255-V257 PolarHBondContact O-N 3.24Š| ||
| 256 | S | 36.4 | Very low | 42.4 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -64.2 | 116 | 166.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 257 | V | 45.5 | Very low | 43.5 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -133.5 | 76.1 | 166.7 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | P255 | P255-V257 PolarHBondContact O-N 3.24Š| ||
| 258 | L | 44.4 | Very low | 44.5 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -144.8 | 80.1 | 153.7 | -75.5 | -177.9 | 0 | 0 | 0 | 108.4 | I260 | L258-I260 PolarHBondContact O-N 3.16Š| ||
| 259 | R | 46 | Very low | 44.9 | Very low | 241 Ų | 241 | 150 Ų | 150 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 99.8 | 166.2 | -179.2 | 176.1 | -73 | 160.4 | -2.2 | 107.5 | P261 | R259-P261 WeakPolarHBondContact O-CD 3.31Š| ||
| 260 | I | 51.5 | Low | 45.7 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 120.6 | 170.8 | -58.5 | 169.3 | 0 | 0 | 0 | 107.5 | L258 | L258-I260 PolarHBondContact O-N 3.16Š| ||
| 261 | P | 46.9 | Very low | 46.4 | Very low | 90 Ų | 90 | 146 Ų | 146 | 58% | 0.584 | 79% | 0.794 | S | S | * | * | trans | -70.6 | 144 | 174 | -11.3 | 26.6 | 0 | 0 | 0 | 110.5 | R259 C263 | R259-P261 WeakPolarHBondContact O-CD 3.31Å; P261-C263 PolarHBondContact O-N 3.37Å; P261-C263 VanDerWaalsContact O-N 3.15Å | ||
| 262 | P | 47.8 | Very low | 47.3 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -73 | 106.2 | 166.2 | 29.4 | -29.1 | 0 | 0 | 0 | 108.5 | S264 | P262-S264 PolarHBondContact O-N 3.33Š| ||
| 263 | C | 46.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -73.9 | 108.3 | 173.2 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | P261 | P261-C263 PolarHBondContact O-N 3.37Å; P261-C263 VanDerWaalsContact O-N 3.15Å | ||
| 264 | S | 56.5 | Low | 49.2 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 129.2 | 164 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | P262 | P262-S264 PolarHBondContact O-N 3.33Š|
| 265 | L | 52.9 | Low | 49.9 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 140.3 | 175.3 | -65.9 | 167.8 | 0 | 0 | 0 | 110.6 | G267 | L265-G267 PolarHBondContact O-N 3.17Š|
| 266 | P | 52.6 | Low | 50.3 | Low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 125.5 | 175.3 | 24.1 | -26.3 | 0 | 0 | 0 | 110.4 | ||
| 267 | G | 54.2 | Low | 51.3 | Low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 153.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L265 A269 | L265-G267 PolarHBondContact O-N 3.17Å; G267-A269 PolarHBondContact O-N 3.03Å |
| 268 | M | 54.4 | Low | 51.6 | Low | 197 Ų | 197 | 136.8 Ų | 136.8 | 97% | 0.97 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -69.6 | 27.6 | -176.2 | -66.7 | 180 | 60.2 | 0 | 0 | 115.4 | ||
| 269 | A | 52.2 | Low | 51.9 | Low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -112.2 | 65.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G267 | G267-A269 PolarHBondContact O-N 3.03Š| ||
| 270 | S | 52 | Low | 52.6 | Low | 92 Ų | 92 | 136.4 Ų | 136.4 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -161.2 | 71.3 | 161 | -150.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 271 | F | 48.8 | Very low | 52.7 | Low | 206 Ų | 206 | 134.7 Ų | 134.7 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -137.3 | 38.5 | 166.8 | -73.9 | -72.1 | 0 | 0 | 0 | 112.3 | ||
| 272 | V | 55.4 | Low | 53 | Low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -148.7 | 102.2 | 156.5 | -167.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 273 | N | 50.5 | Low | 53.4 | Low | 125 Ų | 125 | 135.3 Ų | 135.3 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | -107.1 | 112.9 | 173.3 | -133.1 | -16.7 | 0 | 0 | 0 | 107 | S275 | N273-S275 PolarHBondContact O-N 3.42Å; N273-S275 VanDerWaalsContact O-N 3.16Å | ||
| 274 | P | 56.1 | Low | 54.1 | Low | 126 Ų | 126 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 10 | -172 | 29.4 | -32.7 | 0 | 0 | 0 | 114.5 | ||
| 275 | S | 54 | Low | 54.3 | Low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 17.7 | -170.1 | 59.2 | 0 | 0 | 0 | 0 | 116 | N273 | N273-S275 PolarHBondContact O-N 3.42Å; N273-S275 VanDerWaalsContact O-N 3.16Å |
| 276 | K | 50.7 | Low | 54.3 | Low | 174 Ų | 174 | 138.5 Ų | 138.5 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -101.5 | 116.1 | 169.8 | -84.2 | -179.2 | 174.5 | 176.5 | 0 | 111.1 | N278 | K276-N278 PolarHBondContact O-N 3.08Š| ||
| 277 | P | 58 | Low | 54.8 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 11.2 | -176.6 | 29.2 | -34.2 | 0 | 0 | 0 | 115.6 | ||
| 278 | N | 51.6 | Low | 55.3 | Low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 14.9 | -172.9 | -67.3 | -41.2 | 0 | 0 | 0 | 115.4 | K276 | K276-N278 PolarHBondContact O-N 3.08Š|
| 279 | F | 51.6 | Low | 55.7 | Low | 172 Ų | 172 | 134.5 Ų | 134.5 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | -117.5 | 99.7 | 173.4 | -163.3 | -102.4 | 0 | 0 | 0 | 110.3 | V281 | F279-V281 HydrophobicContact CD1-CG2 3.94Å; F279-V281 HydrophobicContact CE1-CG2 3.38Å; F279-V281 HydrophobicContact CZ-CG2 4.23Å | ||
| 280 | R | 61.3 | Low | 56.1 | Low | 221 Ų | 221 | 138.8 Ų | 138.8 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -104.3 | 115 | 170.2 | -63.7 | -172.6 | 173.9 | -137.1 | -1.6 | 107.5 | T282 | R280-T282 PolarHBondContact O-N 3.35Å; R280-T282 VanDerWaalsContact O-N 3.15Å | ||
| 281 | V | 52.9 | Low | 56.2 | Low | 114 Ų | 114 | 139.8 Ų | 139.8 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -74.1 | 100.2 | 169.8 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | F279 S283 | F279-V281 HydrophobicContact CD1-CG2 3.94Å; F279-V281 HydrophobicContact CE1-CG2 3.38Å; F279-V281 HydrophobicContact CZ-CG2 4.23Å; V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 3.15Å | ||
| 282 | T | 52.6 | Low | 56.6 | Low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | -91.4 | 69.2 | 172.8 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | R280 | R280-T282 PolarHBondContact O-N 3.35Å; R280-T282 VanDerWaalsContact O-N 3.15Å | ||
| 283 | S | 57.1 | Low | 56.8 | Low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -101.8 | 78.5 | 160.6 | -169.3 | 0 | 0 | 0 | 0 | 107.2 | V281 | V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 3.15Å | ||
| 284 | L | 61.3 | Low | 56.9 | Low | 162 Ų | 162 | 138.1 Ų | 138.1 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 122.7 | 163.1 | -72.3 | 169.9 | 0 | 0 | 0 | 106.3 | D286 | L284-D286 PolarHBondContact O-N 3.49Š|
| 285 | K | 60.4 | Low | 57 | Low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.2 | 170.1 | -175.7 | 149.1 | 178 | 166.3 | 0 | 107.4 | P287 | K285-P287 WeakPolarHBondContact O-CD 3.44Š|
| 286 | D | 52.6 | Low | 56.9 | Low | 102 Ų | 102 | 140.6 Ų | 140.6 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 120.9 | 178.3 | -167.1 | -10.4 | 0 | 0 | 0 | 109.2 | L284 T288 | L284-D286 PolarHBondContact O-N 3.49Å; D286-T288 PolarHBondContact O-N 3.3Å; D286-T288 PolarHBondContact OD1-N 3.5Å |
| 287 | P | 63 | Low | 56.8 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -68.9 | -11.6 | -177.9 | 25.6 | -32.8 | 0 | 0 | 0 | 113.4 | K285 | K285-P287 WeakPolarHBondContact O-CD 3.44Š|
| 288 | T | 64.9 | Low | 56.1 | Low | 112 Ų | 112 | 143.9 Ų | 143.9 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -146.5 | 79.8 | 178 | 44.9 | 0 | 0 | 0 | 0 | 112 | D286 L290 | D286-T288 PolarHBondContact O-N 3.3Å; D286-T288 PolarHBondContact OD1-N 3.5Å; T288-L290 PolarHBondContact O-N 2.95Å |
| 289 | P | 61.8 | Low | 55.9 | Low | 73 Ų | 73 | 142.8 Ų | 142.8 | 47% | 0.474 | 74% | 0.741 | S | S | . | * | trans | -69.5 | 133.6 | 174.4 | 29.7 | -33.8 | 0 | 0 | 0 | 110.2 | I291 | P289-I291 PolarHBondContact O-N 3.46Š| ||
| 290 | L | 60.6 | Low | 55.5 | Low | 185 Ų | 185 | 140.7 Ų | 140.7 | 97% | 0.969 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -63.6 | -10 | 177.8 | -140.1 | 83.3 | 0 | 0 | 0 | 113.3 | T288 | T288-L290 PolarHBondContact O-N 2.95Š|
| 291 | I | 55.9 | Low | 54.3 | Low | 114 Ų | 114 | 135.1 Ų | 135.1 | 59% | 0.585 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -129.6 | 117.4 | 174.8 | -60 | 172.7 | 0 | 0 | 0 | 107.5 | P289 Y293 | P289-I291 PolarHBondContact O-N 3.46Å; I291-Y293 PolarHBondContact O-N 3.27Å |
| 292 | S | 55.3 | Low | 53.4 | Low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -72.8 | 117 | 176.1 | -173.7 | 0 | 0 | 0 | 0 | 110 | H294 | S292-H294 PolarHBondContact O-N 3.44Š| ||
| 293 | Y | 60.1 | Low | 52.6 | Low | 187 Ų | 187 | 133 Ų | 133 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -89.9 | 89.7 | 165.7 | -65.3 | -83.3 | 0 | 0 | 0 | 108.1 | I291 I295 | I291-Y293 PolarHBondContact O-N 3.27Å; Y293-I295 PolarHBondContact O-N 3.36Å | ||
| 294 | H | 52.8 | Low | 51.7 | Low | 150 Ų | 150 | 136.9 Ų | 136.9 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | -65.3 | 119.6 | 165.3 | -110.7 | -74.8 | 0 | 0 | 0 | 108.4 | S292 D296 | S292-H294 PolarHBondContact O-N 3.44Å; H294-D296 IonicContact CE1-OD2 3.55Å; H294-D296 IonicContact ND1-OD2 2.95Å; H294-D296 PolarHBondContact ND1-OD2 3.35Å; H294-D296 PolarHBondContact O-N 3.27Å | ||
| 295 | I | 57.7 | Low | 50.3 | Low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -90.1 | 23.7 | 172.9 | -83.4 | 173.9 | 0 | 0 | 0 | 110.3 | Y293 | Y293-I295 PolarHBondContact O-N 3.36Š| ||
| 296 | D | 52.2 | Low | 49.1 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -115.6 | 77.9 | -173.7 | -54.6 | -49.6 | 0 | 0 | 0 | 110.7 | H294 | H294-D296 IonicContact CE1-OD2 3.55Å; H294-D296 IonicContact ND1-OD2 2.95Å; H294-D296 PolarHBondContact ND1-OD2 3.35Å; H294-D296 PolarHBondContact O-N 3.27Å | ||
| 297 | S | 48.1 | Very low | 48.3 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -151.8 | 1.9 | 164.7 | -70.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 298 | W | 44.7 | Very low | 47.3 | Very low | 249 Ų | 249 | 136.8 Ų | 136.8 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | trans | -127.5 | 72.5 | 176.7 | -85.7 | 64.7 | 0 | 0 | 0 | 111.6 | ||||
| 299 | T | 47.5 | Very low | 46.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | -134.2 | 122 | 151.2 | 50.7 | 0 | 0 | 0 | 0 | 108.6 | A301 | T299-A301 PolarHBondContact O-N 3.04Š| ||
| 300 | P | 42.5 | Very low | 45.2 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -71.3 | 127.6 | 166.8 | -10.3 | 26.2 | 0 | 0 | 0 | 108.5 | C302 | P300-C302 PolarHBondContact O-N 3.36Å; P300-C302 VanDerWaalsContact O-N 3.08Å | ||
| 301 | A | 36.1 | Very low | 44 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -59.9 | 109.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T299 G303 | T299-A301 PolarHBondContact O-N 3.04Å; A301-G303 PolarHBondContact O-N 3.49Å | ||
| 302 | C | 34.2 | Very low | 43.1 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -82.9 | 99.4 | 164.3 | -170 | 0 | 0 | 0 | 0 | 107.5 | P300 | P300-C302 PolarHBondContact O-N 3.36Å; P300-C302 VanDerWaalsContact O-N 3.08Å | ||
| 303 | G | 35.6 | Very low | 42.3 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -65 | 130.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A301 N305 | A301-G303 PolarHBondContact O-N 3.49Å; G303-N305 PolarHBondContact O-N 3.24Å | ||
| 304 | Q | 39.1 | Very low | 41.3 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -58.5 | 125.9 | 165.2 | -66.7 | 179.8 | -35.7 | 0 | 0 | 109.4 | ||||
| 305 | N | 31.3 | Very low | 40.9 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -148.3 | 106.4 | 150.3 | -94.6 | -16.2 | 0 | 0 | 0 | 107.9 | G303 | G303-N305 PolarHBondContact O-N 3.24Š| ||
| 306 | S | 34.9 | Very low | 40 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -79 | 111.6 | 175.1 | 47.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 307 | H | 35.4 | Very low | 39.3 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -136.8 | 124.1 | 156 | -75.1 | -72.2 | 0 | 0 | 0 | 109.7 | ||||
| 308 | T | 42.7 | Very low | 39.5 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -57.7 | 143.3 | 175.7 | 45.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 309 | P | 40.2 | Very low | 39.7 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -109.3 | 143.9 | 158.3 | 35.5 | -25.4 | 0 | 0 | 0 | 111.5 | ||||
| 310 | P | 42.5 | Very low | 39.8 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -84.5 | 147.5 | 164.2 | 33.1 | -28.5 | 0 | 0 | 0 | 111 | ||||
| 311 | S | 35.3 | Very low | 40.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -43.5 | 130.9 | 168.7 | 50.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 312 | S | 36.4 | Very low | 40.9 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -149 | 143.6 | 143.4 | 76.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 313 | S | 39.4 | Very low | 41.8 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -68.8 | 134.9 | -170.5 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 314 | H | 39.8 | Very low | 42.4 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | -164.1 | 115.6 | 129.7 | -122.3 | -77.9 | 0 | 0 | 0 | 110.9 | |||||
| 315 | A | 43.7 | Very low | 43 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | trans | -79.4 | 170.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 316 | H | 39.5 | Very low | 44.4 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | 105.2 | 123.8 | -173.8 | -72.8 | -96.1 | 0 | 0 | 0 | 111.8 | ||||
| 317 | E | 36.6 | Very low | 45.3 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | cis | -165.3 | 142.6 | 12 | -151.1 | 163.3 | 128.2 | 0 | 0 | 109.4 | ||||
| 318 | V | 52.9 | Low | 45.8 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -105.3 | 117.7 | 163.5 | -136 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 319 | R | 49 | Very low | 46.3 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | trans | -175.3 | 123.7 | 141.8 | -112.2 | 170.8 | 174.6 | 167.8 | -1.1 | 114 | ||||
| 320 | A | 48.2 | Very low | 47 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -61 | 137.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 321 | S | 55.3 | Low | 47.4 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -131.3 | 113.3 | 166.6 | -70.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 322 | V | 46.8 | Very low | 48.2 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -93.5 | 109.3 | 165.7 | 167.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 323 | I | 53.5 | Low | 48.8 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -155.6 | 113.2 | 158.2 | -31.1 | 169.6 | 0 | 0 | 0 | 114.1 | ||||
| 324 | R | 47.3 | Very low | 49.3 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 36 | 126.8 | 135.1 | -46.2 | 173.9 | -166.2 | 147.5 | 2.4 | 123.1 | ||||
| 325 | K | 51.6 | Low | 49.8 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | 17.7 | 122.2 | 124.4 | -172.2 | 169.2 | 172.6 | 175.3 | 0 | 119.7 | |||||
| 326 | T | 60.8 | Low | 50.1 | Low | 123 Ų | 123 | 149.2 Ų | 149.2 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -147.6 | 105.5 | 152.6 | 55.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 327 | S | 53.9 | Low | 50.8 | Low | 107 Ų | 107 | 148.1 Ų | 148.1 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | 66.5 | 122.8 | 93.7 | 64 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 328 | D | 47.2 | Very low | 51.8 | Low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 83% | 0.83 | S | S | * | * | trans | -31.6 | 144.3 | 165.5 | -83.3 | -92.9 | 0 | 0 | 0 | 117 | ||||
| 329 | V | 53 | Low | 51.7 | Low | 139 Ų | 139 | 147.4 Ų | 147.4 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | -138.8 | 118.5 | 145.4 | 155.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 330 | T | 54.2 | Low | 51.9 | Low | 117 Ų | 117 | 141.5 Ų | 141.5 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | trans | -82.3 | 140.4 | 160 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 331 | S | 51.1 | Low | 52.2 | Low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | trans | -158.3 | 111.9 | 149.3 | -82.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 332 | S | 51.5 | Low | 51.9 | Low | 191 Ų | 191 | 148.5 Ų | 148.5 | 100% | 1.336 | 84% | 0.837 | S | S | * | * | 71.2 | 0 | 85.8 | -76.5 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 332 of 332 residues in 96.9 ms
(Link to these results)