| 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 | 74.9 | Confident | 81.9 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 44% | 0.438 | 32% | 0.321 | S | S | . | . | 0 | 154.1 | 0 | -153.7 | 162.2 | -166.2 | 0 | 0 | 108 | L90 Y186 W188 | M1-L90 HydrophobicContact CE-CD1 4Å; M1-L90 HydrophobicContact CE-CD2 3.63Å; M1-L90 HydrophobicContact CE-CG 4.36Å; M1-L90 HydrophobicContact SD-CD2 3.89Å; M1-Y186 CarbonylContact C-O 3.56Å; M1-Y186 WeakPolarHBondContact CA-O 3.22Å; M1-Y186 WeakPolarHBondContact CG-O 3.49Å; M1-W188 HydrophobicContact CE-CD2 3.38Å; M1-W188 VanDerWaalsContact CE-CE2 3.45Å; M1-W188 HydrophobicContact CE-CE3 3.58Å; M1-W188 HydrophobicContact CE-CG 3.87Å; M1-W188 HydrophobicContact CE-CH2 3.78Å; M1-W188 HydrophobicContact CE-CZ2 3.66Å; M1-W188 HydrophobicContact CE-CZ3 3.77Å; M1-W188 HydrophobicContact SD-CD2 3.92Å; M1-W188 HydrophobicContact SD-CG 4.32Å; M1-W188 HydrophobicContact SD-CH2 4.05Å; M1-W188 HydrophobicContact SD-CZ2 3.4Å; M1-W188 WeakPolarHBondContact SD-CZ2 3.4Å; M1-W188 PolarHBondContact SD-NE1 3.38Å | |||
| 2 | K | 83.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 150.7 | 173.6 | -61.5 | -170.9 | -154.1 | 159.5 | 0 | 111.1 | S145 Y186 E187 | K2-S145 PolarHBondContact NZ-OG 3.4Å; K2-Y186 PolarHBondContact N-O 3.35Å; K2-E187 HydrophobicContact CB-CB 4.29Å; K2-E187 HydrophobicContact CB-CG 4.24Å; K2-E187 HydrophobicContact CD-CB 4.21Å; K2-E187 HydrophobicContact CD-CG 4.32Å; K2-E187 VanDerWaalsContact CD-OE2 3.29Å; K2-E187 WeakPolarHBondContact CD-OE2 3.33Å; K2-E187 WeakPolarHBondContact CE-OE2 3.48Å; K2-E187 HydrophobicContact CG-CB 4.36Å; K2-E187 IonicContact NZ-OE2 3.94Å; K2-E187 PolarHBondContact NZ-OE2 2.78Å |
| 3 | V | 82.7 | Confident | 82.2 | Confident | 35 Ų | 35 | 77.8 Ų | 77.8 | 21% | 0.212 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 129.2 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | C7 F8 I20 I54 L58 M64 | V3-C7 HydrophobicContact CG1-CB 4.17Å; V3-F8 HydrophobicContact CB-CE2 4.05Å; V3-F8 HydrophobicContact CG1-CE2 3.76Å; V3-F8 HydrophobicContact CG1-CZ 4.32Å; V3-I20 HydrophobicContact CG1-CD1 4.29Å; V3-I54 HydrophobicContact CG2-CG2 4.3Å; V3-L58 HydrophobicContact CG1-CD1 3.81Å; V3-M64 HydrophobicContact CG1-CE 4.2Å |
| 4 | P | 79.9 | Confident | 82.3 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 8% | 0.078 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 138.1 | -177.7 | -26.8 | 36.6 | 0 | 0 | 0 | 113.3 | K6 C7 M64 | P4-K6 HydrophobicContact CB-CG 3.85Å; P4-K6 PolarHBondContact O-N 3.41Å; P4-K6 VanDerWaalsContact O-N 3.13Å; P4-C7 WeakPolarHBondContact O-CB 3.43Å; P4-C7 PolarHBondContact O-N 3.1Å; P4-M64 HydrophobicContact CG-CE 4.42Å; P4-M64 HydrophobicContact CG-CG 4.25Å; P4-M64 HydrophobicContact CG-SD 4.05Å |
| 5 | F | 81 | Confident | 82.7 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 25% | 0.25 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -54.6 | -34.3 | 177.4 | -176.1 | -106 | 0 | 0 | 0 | 112.8 | C7 F8 M9 A144 | F5-C7 PolarHBondContact O-N 3.34Å; F5-F8 PolarHBondContact O-N 3.37Å; F5-M9 HydrophobicContact CD1-CG 4.07Å; F5-M9 HydrophobicContact CE1-CG 3.56Å; F5-M9 HydrophobicContact CE1-SD 3.9Å; F5-M9 HydrophobicContact CZ-CE 4.18Å; F5-M9 HydrophobicContact CZ-CG 3.9Å; F5-M9 HydrophobicContact CZ-SD 3.75Å; F5-M9 PolarHBondContact O-N 2.91Å; F5-A144 HydrophobicContact CB-CB 3.84Å |
| 6 | K | 78.7 | Confident | 83.1 | Confident | 105 Ų | 105 | 66.1 Ų | 66.1 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -54.9 | -32.9 | 175.6 | 60.2 | -172.8 | 174.9 | -165.6 | 0 | 113.7 | P4 F8 M9 D10 E191 | P4-K6 HydrophobicContact CB-CG 3.85Å; P4-K6 PolarHBondContact O-N 3.41Å; P4-K6 VanDerWaalsContact O-N 3.13Å; K6-F8 VanDerWaalsContact C-N 3.27Å; K6-F8 PolarHBondContact O-N 3.08Å; K6-M9 PolarHBondContact O-N 3.31Å; K6-D10 PolarHBondContact O-N 3.16Å; K6-E191 IonicContact NZ-OE1 2.77Å; K6-E191 PolarHBondContact NZ-OE1 3.14Å; K6-E191 VanDerWaalsContact NZ-OE1 3.09Å |
| 7 | C | 85 | Confident | 83.7 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -69.9 | -21.5 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | V3 P4 F5 G16 L17 I20 L58 C63 | V3-C7 HydrophobicContact CG1-CB 4.17Å; P4-C7 WeakPolarHBondContact O-CB 3.43Å; P4-C7 PolarHBondContact O-N 3.1Å; F5-C7 PolarHBondContact O-N 3.34Å; C7-G16 CarbonylContact O-C 3.56Å; C7-L17 PolarHBondContact O-N 3.43Å; C7-I20 HydrophobicContact CB-CD1 4.08Å; C7-L58 HydrophobicContact CB-CD1 4.35Å; C7-C63 PolarHBondContact SG-O 2.83Å; C7-C63 VanDerWaalsContact SG-O 3.36Å |
| 8 | F | 86.5 | Confident | 84.1 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -88 | -15.1 | 175.8 | -67.2 | -89.4 | 0 | 0 | 0 | 113.5 | V3 F5 K6 L17 I20 | V3-F8 HydrophobicContact CB-CE2 4.05Å; V3-F8 HydrophobicContact CG1-CE2 3.76Å; V3-F8 HydrophobicContact CG1-CZ 4.32Å; F5-F8 PolarHBondContact O-N 3.37Å; K6-F8 VanDerWaalsContact C-N 3.27Å; K6-F8 PolarHBondContact O-N 3.08Å; F8-L17 HydrophobicContact CD1-CD1 4.13Å; F8-I20 HydrophobicContact CD1-CD1 4.07Å; F8-I20 HydrophobicContact CD2-CD1 4.39Å; F8-I20 HydrophobicContact CE1-CD1 3.93Å; F8-I20 HydrophobicContact CE1-CG2 4.04Å; F8-I20 HydrophobicContact CE2-CD1 4.26Å; F8-I20 HydrophobicContact CG-CD1 4.31Å; F8-I20 HydrophobicContact CZ-CD1 4.03Å |
| 9 | M | 80.2 | Confident | 84.6 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 39% | 0.389 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -97.6 | 0.7 | 178.4 | -61 | -72.5 | 89 | 0 | 0 | 113 | F5 K6 F11 | F5-M9 HydrophobicContact CD1-CG 4.07Å; F5-M9 HydrophobicContact CE1-CG 3.56Å; F5-M9 HydrophobicContact CE1-SD 3.9Å; F5-M9 HydrophobicContact CZ-CE 4.18Å; F5-M9 HydrophobicContact CZ-CG 3.9Å; F5-M9 HydrophobicContact CZ-SD 3.75Å; F5-M9 PolarHBondContact O-N 2.91Å; K6-M9 PolarHBondContact O-N 3.31Å; M9-F11 HydrophobicContact CE-CE2 4.31Å; M9-F11 HydrophobicContact CE-CZ 4.09Å; M9-F11 WeakPolarHBondContact O-CD2 3.49Å; M9-F11 WeakPolarHBondContact O-CE2 3.39Å; M9-F11 PolarHBondContact O-N 2.83Å |
| 10 | D | 83.6 | Confident | 85 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | trans | -88.4 | 90.1 | 176.3 | -176.3 | 16.6 | 0 | 0 | 0 | 111.3 | K6 K12 G15 G16 L17 | K6-D10 PolarHBondContact O-N 3.16Å; D10-K12 VanDerWaalsContact C-N 3.29Å; D10-K12 PolarHBondContact O-N 3.38Å; D10-K12 VanDerWaalsContact OD1-CB 3.29Å; D10-K12 WeakPolarHBondContact OD1-CB 3.28Å; D10-K12 WeakPolarHBondContact OD1-CD 3.28Å; D10-K12 WeakPolarHBondContact OD1-CG 3.3Å; D10-K12 PolarHBondContact OD1-N 2.86Å; D10-G15 WeakPolarHBondContact OD2-CA 3.48Å; D10-G16 PolarHBondContact OD2-N 3.36Å; D10-L17 WeakPolarHBondContact O-CB 3.46Å | ||
| 11 | F | 85 | Confident | 85.4 | Confident | 153 Ų | 153 | 61.9 Ų | 61.9 | 67% | 0.671 | 32% | 0.317 | S | S | * | . | trans | -84.6 | 8.4 | 178.5 | -58.7 | -84.4 | 0 | 0 | 0 | 113.8 | M9 L17 | M9-F11 HydrophobicContact CE-CE2 4.31Å; M9-F11 HydrophobicContact CE-CZ 4.09Å; M9-F11 WeakPolarHBondContact O-CD2 3.49Å; M9-F11 WeakPolarHBondContact O-CE2 3.39Å; M9-F11 PolarHBondContact O-N 2.83Å; F11-L17 HydrophobicContact CD1-CD2 3.57Å; F11-L17 HydrophobicContact CE1-CD2 3.48Å; F11-L17 VanDerWaalsContact CE1-CD2 3.48Å; F11-L17 HydrophobicContact CG-CD2 4.49Å; F11-L17 HydrophobicContact CZ-CD2 4.35Å | ||
| 12 | K | 84 | Confident | 86.2 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -61.1 | 147.3 | 174.2 | -65.5 | 171.5 | -175.6 | 175.4 | 0 | 109.9 | D10 G14 G15 E167 | D10-K12 VanDerWaalsContact C-N 3.29Å; D10-K12 PolarHBondContact O-N 3.38Å; D10-K12 VanDerWaalsContact OD1-CB 3.29Å; D10-K12 WeakPolarHBondContact OD1-CB 3.28Å; D10-K12 WeakPolarHBondContact OD1-CD 3.28Å; D10-K12 WeakPolarHBondContact OD1-CG 3.3Å; D10-K12 PolarHBondContact OD1-N 2.86Å; K12-G14 PolarHBondContact O-N 2.96Å; K12-G15 WeakPolarHBondContact O-CA 3.37Å; K12-G15 PolarHBondContact O-N 3.44Å; K12-E167 IonicContact NZ-OE1 3.85Å; K12-E167 PolarHBondContact NZ-OE1 3.45Å |
| 13 | P | 84.3 | Confident | 86.6 | Confident | 137 Ų | 137 | 56.7 Ų | 56.7 | 89% | 0.89 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 125.5 | 167.2 | 27.5 | -33.2 | 0 | 0 | 0 | 109.2 | G15 | P13-G15 VanDerWaalsContact C-N 3.26Š|
| 14 | G | 83.3 | Confident | 87 | Confident | 43 Ų | 43 | 56 Ų | 56 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 7.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K12 H19 | K12-G14 PolarHBondContact O-N 2.96Å; G14-H19 PolarHBondContact O-CD2 2.91Å; G14-H19 VanDerWaalsContact O-CD2 3.3Å; G14-H19 PolarHBondContact O-NE2 3.39Å |
| 15 | G | 87.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -74.6 | 172.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D10 K12 P13 L17 C18 H19 | D10-G15 WeakPolarHBondContact OD2-CA 3.48Å; K12-G15 WeakPolarHBondContact O-CA 3.37Å; K12-G15 PolarHBondContact O-N 3.44Å; P13-G15 VanDerWaalsContact C-N 3.26Å; G15-L17 VanDerWaalsContact C-N 3.27Å; G15-L17 PolarHBondContact O-N 3.29Å; G15-L17 VanDerWaalsContact O-N 3.15Å; G15-C18 WeakPolarHBondContact O-CA 3.3Å; G15-C18 VanDerWaalsContact O-CB 3.23Å; G15-C18 WeakPolarHBondContact O-CB 3.38Å; G15-C18 PolarHBondContact O-N 3.29Å; G15-H19 PolarHBondContact O-N 2.6Å |
| 16 | G | 89.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.5 | -40.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C7 D10 C18 H19 I20 | C7-G16 CarbonylContact O-C 3.56Å; D10-G16 PolarHBondContact OD2-N 3.36Å; G16-C18 VanDerWaalsContact C-N 3.3Å; G16-C18 PolarHBondContact O-N 2.88Å; G16-H19 PolarHBondContact O-N 2.8Å; G16-I20 WeakPolarHBondContact O-CD1 3.48Å; G16-I20 VanDerWaalsContact O-CG1 3.31Å; G16-I20 WeakPolarHBondContact O-CG1 3.28Å; G16-I20 PolarHBondContact O-N 2.86Å |
| 17 | L | 92.5 | Very high | 88.7 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 179.8 | -175.3 | 64.4 | 0 | 0 | 0 | 111.8 | C7 F8 D10 F11 G15 I20 F21 | C7-L17 PolarHBondContact O-N 3.43Å; F8-L17 HydrophobicContact CD1-CD1 4.13Å; D10-L17 WeakPolarHBondContact O-CB 3.46Å; F11-L17 HydrophobicContact CD1-CD2 3.57Å; F11-L17 HydrophobicContact CE1-CD2 3.48Å; F11-L17 VanDerWaalsContact CE1-CD2 3.48Å; F11-L17 HydrophobicContact CG-CD2 4.49Å; F11-L17 HydrophobicContact CZ-CD2 4.35Å; G15-L17 VanDerWaalsContact C-N 3.27Å; G15-L17 PolarHBondContact O-N 3.29Å; G15-L17 VanDerWaalsContact O-N 3.15Å; L17-I20 PolarHBondContact O-N 3.49Å; L17-F21 HydrophobicContact CD1-CD2 3.91Å; L17-F21 HydrophobicContact CD1-CE2 3.56Å; L17-F21 HydrophobicContact CD1-CZ 4.4Å; L17-F21 HydrophobicContact CD2-CE2 4.21Å; L17-F21 HydrophobicContact CG-CD2 3.85Å; L17-F21 HydrophobicContact CG-CE2 3.75Å; L17-F21 WeakPolarHBondContact O-CD2 3.5Å; L17-F21 PolarHBondContact O-N 2.95Å |
| 18 | C | 92.1 | Very high | 89 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 176.6 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | G15 G16 F21 L22 | G15-C18 WeakPolarHBondContact O-CA 3.3Å; G15-C18 VanDerWaalsContact O-CB 3.23Å; G15-C18 WeakPolarHBondContact O-CB 3.38Å; G15-C18 PolarHBondContact O-N 3.29Å; G16-C18 VanDerWaalsContact C-N 3.3Å; G16-C18 PolarHBondContact O-N 2.88Å; C18-F21 PolarHBondContact O-N 2.71Å; C18-L22 VanDerWaalsContact O-CB 3.23Å; C18-L22 WeakPolarHBondContact O-CB 3.42Å; C18-L22 PolarHBondContact O-N 2.77Å |
| 19 | H | 92.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 177.4 | -76.6 | -83.9 | 0 | 0 | 0 | 112.7 | G14 G15 G16 T23 L58 Y61 | G14-H19 PolarHBondContact O-CD2 2.91Å; G14-H19 VanDerWaalsContact O-CD2 3.3Å; G14-H19 PolarHBondContact O-NE2 3.39Å; G15-H19 PolarHBondContact O-N 2.6Å; G16-H19 PolarHBondContact O-N 2.8Å; H19-T23 WeakPolarHBondContact O-CB 3.45Å; H19-T23 PolarHBondContact O-N 3.44Å; H19-T23 PolarHBondContact O-OG1 3.23Å; H19-L58 HydrophobicContact CB-CD2 4.18Å; H19-Y61 AromaticContact CE1-CD1 3.56Å; H19-Y61 AromaticContact CE1-CD2 3.22Å; H19-Y61 WeakPolarHBondContact CE1-CD2 3.34Å; H19-Y61 AromaticContact CE1-CE1 3.77Å; H19-Y61 AromaticContact CE1-CE2 3.45Å; H19-Y61 VanDerWaalsContact CE1-CE2 3.45Å; H19-Y61 WeakPolarHBondContact CE1-CE2 3.27Å; H19-Y61 AromaticContact CE1-CG 3.29Å; H19-Y61 AromaticContact CE1-CZ 3.72Å; H19-Y61 AromaticContact ND1-CD2 3.35Å; H19-Y61 WeakPolarHBondContact ND1-CD2 3.29Å; H19-Y61 AromaticContact ND1-CE2 3.66Å; H19-Y61 AromaticContact ND1-CG 3.82Å; H19-Y61 AromaticContact NE2-CD1 3.91Å; H19-Y61 AromaticContact NE2-CG 3.71Å |
| 20 | I | 93.5 | Very high | 89.6 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -52.7 | 173.4 | -67.7 | 161.5 | 0 | 0 | 0 | 110.5 | V3 C7 F8 G16 L17 T23 C24 I54 L58 | V3-I20 HydrophobicContact CG1-CD1 4.29Å; C7-I20 HydrophobicContact CB-CD1 4.08Å; F8-I20 HydrophobicContact CD1-CD1 4.07Å; F8-I20 HydrophobicContact CD2-CD1 4.39Å; F8-I20 HydrophobicContact CE1-CD1 3.93Å; F8-I20 HydrophobicContact CE1-CG2 4.04Å; F8-I20 HydrophobicContact CE2-CD1 4.26Å; F8-I20 HydrophobicContact CG-CD1 4.31Å; F8-I20 HydrophobicContact CZ-CD1 4.03Å; G16-I20 WeakPolarHBondContact O-CD1 3.48Å; G16-I20 VanDerWaalsContact O-CG1 3.31Å; G16-I20 WeakPolarHBondContact O-CG1 3.28Å; G16-I20 PolarHBondContact O-N 2.86Å; L17-I20 PolarHBondContact O-N 3.49Å; I20-T23 PolarHBondContact O-N 2.88Å; I20-C24 WeakPolarHBondContact O-CB 3.49Å; I20-C24 PolarHBondContact O-N 2.92Å; I20-C24 PolarHBondContact O-SG 2.87Å; I20-C24 VanDerWaalsContact O-SG 3.37Å; I20-I54 HydrophobicContact CG1-CG2 3.89Å; I20-L58 HydrophobicContact CD1-CD1 4.18Å; I20-L58 HydrophobicContact CG1-CD1 3.97Å; I20-L58 HydrophobicContact CG1-CD2 4.24Å; I20-L58 HydrophobicContact CG1-CG 4.44Å |
| 21 | F | 92.9 | Very high | 89.8 | Confident | 124 Ų | 124 | 67.1 Ų | 67.1 | 54% | 0.544 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 179.4 | -83.5 | -57.1 | 0 | 0 | 0 | 112.9 | L17 C18 T23 C24 L25 | L17-F21 HydrophobicContact CD1-CD2 3.91Å; L17-F21 HydrophobicContact CD1-CE2 3.56Å; L17-F21 HydrophobicContact CD1-CZ 4.4Å; L17-F21 HydrophobicContact CD2-CE2 4.21Å; L17-F21 HydrophobicContact CG-CD2 3.85Å; L17-F21 HydrophobicContact CG-CE2 3.75Å; L17-F21 WeakPolarHBondContact O-CD2 3.5Å; L17-F21 PolarHBondContact O-N 2.95Å; C18-F21 PolarHBondContact O-N 2.71Å; F21-T23 VanDerWaalsContact C-N 3.32Å; F21-T23 PolarHBondContact O-N 2.94Å; F21-C24 PolarHBondContact O-N 3.3Å; F21-L25 WeakPolarHBondContact O-CB 3.22Å; F21-L25 VanDerWaalsContact O-CG 3.29Å; F21-L25 WeakPolarHBondContact O-CG 3.47Å; F21-L25 PolarHBondContact O-N 3.12Å |
| 22 | L | 91.9 | Very high | 89.9 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 41% | 0.408 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.4 | 179.2 | 60.6 | 0 | 0 | 0 | 111.5 | C18 L25 K26 | C18-L22 VanDerWaalsContact O-CB 3.23Å; C18-L22 WeakPolarHBondContact O-CB 3.42Å; C18-L22 PolarHBondContact O-N 2.77Å; L22-L25 PolarHBondContact O-N 3.3Å; L22-K26 WeakPolarHBondContact O-CG 3.31Å; L22-K26 PolarHBondContact O-N 3.45Å |
| 23 | T | 91.4 | Very high | 90 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 177.4 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | H19 I20 F21 L25 K26 F27 V53 I54 | H19-T23 WeakPolarHBondContact O-CB 3.45Å; H19-T23 PolarHBondContact O-N 3.44Å; H19-T23 PolarHBondContact O-OG1 3.23Å; I20-T23 PolarHBondContact O-N 2.88Å; F21-T23 VanDerWaalsContact C-N 3.32Å; F21-T23 PolarHBondContact O-N 2.94Å; T23-L25 VanDerWaalsContact C-N 3.29Å; T23-L25 PolarHBondContact O-N 2.91Å; T23-K26 PolarHBondContact O-N 2.93Å; T23-F27 WeakPolarHBondContact O-CB 3.47Å; T23-F27 PolarHBondContact O-N 2.78Å; T23-V53 HydrophobicContact CG2-CB 4.01Å; T23-V53 HydrophobicContact CG2-CG1 3.63Å; T23-I54 HydrophobicContact CG2-CG1 3.59Å |
| 24 | C | 92.7 | Very high | 90 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 14% | 0.142 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -38.1 | 174.2 | -75 | 0 | 0 | 0 | 0 | 112.8 | I20 F21 R28 I36 M50 | I20-C24 WeakPolarHBondContact O-CB 3.49Å; I20-C24 PolarHBondContact O-N 2.92Å; I20-C24 PolarHBondContact O-SG 2.87Å; I20-C24 VanDerWaalsContact O-SG 3.37Å; F21-C24 PolarHBondContact O-N 3.3Å; C24-R28 VanDerWaalsContact O-CB 3.26Å; C24-R28 WeakPolarHBondContact O-CB 3.49Å; C24-R28 PolarHBondContact O-N 3.43Å; C24-I36 HydrophobicContact CB-CD1 3.87Å; C24-I36 WeakPolarHBondContact O-CD1 3.4Å; C24-M50 HydrophobicContact CB-SD 4.44Å |
| 25 | L | 92 | Very high | 90 | Very high | 92 Ų | 92 | 70.7 Ų | 70.7 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.6 | -41.2 | 178.5 | -72.7 | 171.2 | 0 | 0 | 0 | 112.6 | F21 L22 T23 R28 H29 | F21-L25 WeakPolarHBondContact O-CB 3.22Å; F21-L25 VanDerWaalsContact O-CG 3.29Å; F21-L25 WeakPolarHBondContact O-CG 3.47Å; F21-L25 PolarHBondContact O-N 3.12Å; L22-L25 PolarHBondContact O-N 3.3Å; T23-L25 VanDerWaalsContact C-N 3.29Å; T23-L25 PolarHBondContact O-N 2.91Å; L25-R28 PolarHBondContact O-N 2.82Å; L25-H29 WeakPolarHBondContact O-CB 3.47Å; L25-H29 PolarHBondContact O-N 3.43Å |
| 26 | K | 91.9 | Very high | 89.8 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 39% | 0.391 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.3 | -53.6 | 169.8 | -73.8 | 171.2 | 179.9 | 173.8 | 0 | 110.4 | L22 T23 R28 H29 E30 | L22-K26 WeakPolarHBondContact O-CG 3.31Å; L22-K26 PolarHBondContact O-N 3.45Å; T23-K26 PolarHBondContact O-N 2.93Å; K26-R28 VanDerWaalsContact C-N 3.32Å; K26-R28 PolarHBondContact O-N 3.19Å; K26-H29 WeakPolarHBondContact O-CB 3.33Å; K26-H29 PolarHBondContact O-N 2.84Å; K26-E30 WeakPolarHBondContact O-CG 3.23Å; K26-E30 PolarHBondContact O-N 2.84Å |
| 27 | F | 90.5 | Very high | 89.6 | Confident | 10 Ų | 10 | 75.4 Ų | 75.4 | 4% | 0.044 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | -177.5 | -137.5 | -94.8 | 0 | 0 | 0 | 112.7 | T23 N31 W33 K46 E49 M50 | T23-F27 WeakPolarHBondContact O-CB 3.47Å; T23-F27 PolarHBondContact O-N 2.78Å; F27-N31 WeakPolarHBondContact CD1-ND2 3.3Å; F27-N31 VanDerWaalsContact CE1-ND2 3.33Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.43Å; F27-N31 WeakPolarHBondContact O-CB 3.5Å; F27-N31 PolarHBondContact O-N 3.33Å; F27-N31 PolarHBondContact O-ND2 2.79Å; F27-W33 HydrophobicContact CD1-CH2 4.21Å; F27-W33 HydrophobicContact CD1-CZ3 4.27Å; F27-W33 HydrophobicContact CE1-CH2 4.4Å; F27-K46 HydrophobicContact CE1-CB 4.25Å; F27-K46 HydrophobicContact CE1-CD 4.06Å; F27-K46 WeakPolarHBondContact CE1-O 3.49Å; F27-K46 HydrophobicContact CZ-CD 4.29Å; F27-E49 HydrophobicContact CE2-CG 4.14Å; F27-E49 HydrophobicContact CZ-CB 3.87Å; F27-E49 HydrophobicContact CZ-CG 3.75Å; F27-M50 HydrophobicContact CB-CB 4.45Å; F27-M50 HydrophobicContact CB-CG 3.81Å; F27-M50 HydrophobicContact CB-SD 3.93Å; F27-M50 HydrophobicContact CD1-CB 3.7Å; F27-M50 HydrophobicContact CD1-CG 3.98Å; F27-M50 HydrophobicContact CD1-SD 4.24Å; F27-M50 HydrophobicContact CD2-CB 4.05Å; F27-M50 HydrophobicContact CD2-CG 4.11Å; F27-M50 HydrophobicContact CE1-CB 3.87Å; F27-M50 HydrophobicContact CE2-CB 4.21Å; F27-M50 HydrophobicContact CG-CB 3.79Å; F27-M50 HydrophobicContact CG-CG 3.68Å; F27-M50 HydrophobicContact CG-SD 4.21Å; F27-M50 HydrophobicContact CZ-CB 4.12Å |
| 28 | R | 90.8 | Very high | 89.1 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 173.1 | -177.3 | -167.2 | 175.5 | -163 | -0.1 | 112.1 | C24 L25 K26 N32 W33 K34 I36 | C24-R28 VanDerWaalsContact O-CB 3.26Å; C24-R28 WeakPolarHBondContact O-CB 3.49Å; C24-R28 PolarHBondContact O-N 3.43Å; L25-R28 PolarHBondContact O-N 2.82Å; K26-R28 VanDerWaalsContact C-N 3.32Å; K26-R28 PolarHBondContact O-N 3.19Å; R28-N32 PolarHBondContact O-N 2.95Å; R28-W33 HydrophobicContact CG-CB 4.01Å; R28-W33 WeakPolarHBondContact CG-O 3.48Å; R28-W33 PolarHBondContact NE-O 3.07Å; R28-W33 PolarHBondContact O-N 2.74Å; R28-K34 PolarHBondContact NH2-O 3.41Å; R28-I36 HydrophobicContact CB-CD1 4.07Å; R28-I36 HydrophobicContact CB-CG1 3.94Å; R28-I36 HydrophobicContact CG-CG1 3.98Å |
| 29 | H | 89.8 | Confident | 88.8 | Confident | 154 Ų | 154 | 81.8 Ų | 81.8 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.3 | -52.5 | 178.7 | -178.2 | -88.9 | 0 | 0 | 0 | 111 | L25 K26 N31 N32 | L25-H29 WeakPolarHBondContact O-CB 3.47Å; L25-H29 PolarHBondContact O-N 3.43Å; K26-H29 WeakPolarHBondContact O-CB 3.33Å; K26-H29 PolarHBondContact O-N 2.84Å; H29-N31 VanDerWaalsContact C-N 3.29Å; H29-N31 PolarHBondContact O-N 3.43Å; H29-N32 PolarHBondContact O-N 2.9Å |
| 30 | E | 90.6 | Very high | 88.1 | Confident | 122 Ų | 122 | 82.1 Ų | 82.1 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57 | -38.7 | 179.8 | -70.2 | 159.2 | -175.3 | 0 | 0 | 112.8 | K26 | K26-E30 WeakPolarHBondContact O-CG 3.23Å; K26-E30 PolarHBondContact O-N 2.84Å |
| 31 | N | 88.1 | Confident | 87.4 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 23% | 0.225 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 8.7 | 179.1 | -63.1 | -97.1 | 0 | 0 | 0 | 113.5 | F27 H29 W33 K46 | F27-N31 WeakPolarHBondContact CD1-ND2 3.3Å; F27-N31 VanDerWaalsContact CE1-ND2 3.33Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.43Å; F27-N31 WeakPolarHBondContact O-CB 3.5Å; F27-N31 PolarHBondContact O-N 3.33Å; F27-N31 PolarHBondContact O-ND2 2.79Å; H29-N31 VanDerWaalsContact C-N 3.29Å; H29-N31 PolarHBondContact O-N 3.43Å; N31-W33 VanDerWaalsContact C-N 3.29Å; N31-W33 HydrophobicContact CB-CD2 4Å; N31-W33 HydrophobicContact CB-CG 4.16Å; N31-W33 HydrophobicContact CB-CZ2 4.02Å; N31-W33 PolarHBondContact O-N 3.31Å; N31-W33 PolarHBondContact O-NE1 2.93Å; N31-K46 WeakPolarHBondContact OD1-CD 3.32Å |
| 32 | N | 86.8 | Confident | 86.7 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 78% | 0.775 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 37.3 | 179.2 | -70.5 | -82.8 | 0 | 0 | 0 | 114.8 | R28 H29 K34 | R28-N32 PolarHBondContact O-N 2.95Å; H29-N32 PolarHBondContact O-N 2.9Å; N32-K34 PolarHBondContact O-N 3.41Å |
| 33 | W | 85.5 | Confident | 86.3 | Confident | 22 Ų | 22 | 86 Ų | 86 | 8% | 0.083 | 44% | 0.436 | C | S | . | . | trans | -83.9 | 110.1 | -175 | -70.7 | -6.5 | 0 | 0 | 0 | 112.9 | F27 R28 N31 K35 R43 K46 H47 | F27-W33 HydrophobicContact CD1-CH2 4.21Å; F27-W33 HydrophobicContact CD1-CZ3 4.27Å; F27-W33 HydrophobicContact CE1-CH2 4.4Å; R28-W33 HydrophobicContact CG-CB 4.01Å; R28-W33 WeakPolarHBondContact CG-O 3.48Å; R28-W33 PolarHBondContact NE-O 3.07Å; R28-W33 PolarHBondContact O-N 2.74Å; N31-W33 VanDerWaalsContact C-N 3.29Å; N31-W33 HydrophobicContact CB-CD2 4Å; N31-W33 HydrophobicContact CB-CG 4.16Å; N31-W33 HydrophobicContact CB-CZ2 4.02Å; N31-W33 PolarHBondContact O-N 3.31Å; N31-W33 PolarHBondContact O-NE1 2.93Å; W33-K35 PolarHBondContact O-N 2.79Å; W33-R43 HydrophobicContact CZ2-CB 4.42Å; W33-R43 HydrophobicContact CZ2-CG 4.4Å; W33-K46 HydrophobicContact CH2-CB 3.84Å; W33-K46 HydrophobicContact CZ2-CB 3.79Å; W33-K46 HydrophobicContact CZ2-CG 4.43Å; W33-H47 AromaticContact CH2-CD2 3.62Å; W33-H47 AromaticContact CH2-NE2 3.81Å; W33-H47 AromaticContact CZ3-CD2 3.86Å; W33-H47 AromaticContact CZ3-NE2 3.97Å | ||
| 34 | K | 84.2 | Confident | 86 | Confident | 199 Ų | 199 | 89.1 Ų | 89.1 | 87% | 0.865 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -50 | -41.6 | 172.4 | -68.8 | -173.3 | 178.5 | -178.5 | 0 | 112.6 | R28 N32 | R28-K34 PolarHBondContact NH2-O 3.41Å; N32-K34 PolarHBondContact O-N 3.41Å |
| 35 | K | 84.4 | Confident | 85.8 | Confident | 159 Ų | 159 | 96 Ų | 96 | 69% | 0.691 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -138.1 | 143.4 | 172.1 | -174.9 | -174.9 | 174.7 | -172.3 | 0 | 108.8 | W33 D37 | W33-K35 PolarHBondContact O-N 2.79Å; K35-D37 PolarHBondContact O-N 3.48Å |
| 36 | I | 83.1 | Confident | 85.6 | Confident | 49 Ų | 49 | 95.5 Ų | 95.5 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | trans | -75.9 | 118.2 | 165.8 | -54.2 | 176.1 | 0 | 0 | 0 | 106.9 | C24 R28 L38 | C24-I36 HydrophobicContact CB-CD1 3.87Å; C24-I36 WeakPolarHBondContact O-CD1 3.4Å; R28-I36 HydrophobicContact CB-CD1 4.07Å; R28-I36 HydrophobicContact CB-CG1 3.94Å; R28-I36 HydrophobicContact CG-CG1 3.98Å; I36-L38 HydrophobicContact CG2-CD2 4Å; I36-L38 HydrophobicContact CG2-CG 4.39Å | ||
| 37 | D | 83.8 | Confident | 85.4 | Confident | 54 Ų | 54 | 91.7 Ų | 91.7 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | trans | -127.6 | 93.1 | -178.4 | 174.1 | 20.4 | 0 | 0 | 0 | 109.9 | K35 T39 S40 H47 | K35-D37 PolarHBondContact O-N 3.48Å; D37-T39 PolarHBondContact O-N 3.26Å; D37-T39 WeakPolarHBondContact OD1-CB 3.43Å; D37-T39 PolarHBondContact OD1-N 3.1Å; D37-T39 PolarHBondContact OD1-OG1 2.87Å; D37-S40 VanDerWaalsContact O-CB 3.29Å; D37-S40 WeakPolarHBondContact O-CB 3.28Å; D37-S40 PolarHBondContact O-N 2.82Å; D37-S40 VanDerWaalsContact O-N 3.16Å; D37-H47 PolarHBondContact O-CE1 3.28Å; D37-H47 PolarHBondContact O-NE2 2.98Å | ||
| 38 | L | 83.5 | Confident | 85.4 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.7 | -178.7 | -57.5 | 178.9 | 0 | 0 | 0 | 113.2 | I36 S40 M50 F51 | I36-L38 HydrophobicContact CG2-CD2 4Å; I36-L38 HydrophobicContact CG2-CG 4.39Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-M50 HydrophobicContact CD2-CE 4.01Å; L38-F51 HydrophobicContact CD1-CZ 4.34Å; L38-F51 HydrophobicContact CD2-CZ 4.12Å |
| 39 | T | 84.2 | Confident | 85.4 | Confident | 124 Ų | 124 | 95.6 Ų | 95.6 | 76% | 0.761 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13 | 176.2 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | D37 S41 | D37-T39 PolarHBondContact O-N 3.26Å; D37-T39 WeakPolarHBondContact OD1-CB 3.43Å; D37-T39 PolarHBondContact OD1-N 3.1Å; D37-T39 PolarHBondContact OD1-OG1 2.87Å; T39-S41 PolarHBondContact O-N 2.87Å |
| 40 | S | 78.3 | Confident | 85.5 | Confident | 24 Ų | 24 | 88.3 Ų | 88.3 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | trans | -71.2 | 94.9 | -176.9 | -166.4 | 0 | 0 | 0 | 0 | 112 | D37 L38 S42 R43 | D37-S40 VanDerWaalsContact O-CB 3.29Å; D37-S40 WeakPolarHBondContact O-CB 3.28Å; D37-S40 PolarHBondContact O-N 2.82Å; D37-S40 VanDerWaalsContact O-N 3.16Å; L38-S40 VanDerWaalsContact C-N 3.32Å; S40-S42 PolarHBondContact O-N 3.3Å; S40-S42 PolarHBondContact OG-OG 2.9Å; S40-R43 PolarHBondContact O-N 2.98Å | ||
| 41 | S | 78.8 | Confident | 85.5 | Confident | 96 Ų | 96 | 86.6 Ų | 86.6 | 67% | 0.671 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -54.5 | -34.6 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 113.6 | T39 R43 T44 | T39-S41 PolarHBondContact O-N 2.87Å; S41-R43 PolarHBondContact O-N 2.78Å; S41-T44 WeakPolarHBondContact O-CB 3.46Å; S41-T44 PolarHBondContact O-N 3.25Å; S41-T44 PolarHBondContact O-OG1 3.33Å |
| 42 | S | 79.3 | Confident | 85.6 | Confident | 116 Ų | 116 | 87.7 Ų | 87.7 | 81% | 0.811 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -69.2 | -10.5 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 114.5 | S40 | S40-S42 PolarHBondContact O-N 3.3Å; S40-S42 PolarHBondContact OG-OG 2.9Å |
| 43 | R | 81.6 | Confident | 85.9 | Confident | 83 Ų | 83 | 82.6 Ų | 82.6 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -108.8 | 4.9 | 176.8 | -63.1 | -179.1 | 179.8 | -176.9 | 1.8 | 113.4 | W33 S40 S41 E45 K46 H47 | W33-R43 HydrophobicContact CZ2-CB 4.42Å; W33-R43 HydrophobicContact CZ2-CG 4.4Å; S40-R43 PolarHBondContact O-N 2.98Å; S41-R43 PolarHBondContact O-N 2.78Å; R43-E45 VanDerWaalsContact C-N 3.27Å; R43-E45 PolarHBondContact O-N 2.89Å; R43-E45 VanDerWaalsContact O-N 3.16Å; R43-K46 CarbonylContact O-C 3.46Å; R43-K46 WeakPolarHBondContact O-CA 3.43Å; R43-K46 PolarHBondContact O-N 3.41Å; R43-H47 VanDerWaalsContact CB-CE1 3.48Å; R43-H47 WeakPolarHBondContact CB-CE1 3.3Å; R43-H47 PolarHBondContact O-N 3.42Å |
| 44 | T | 85.9 | Confident | 86.2 | Confident | 69 Ų | 69 | 81.8 Ų | 81.8 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -50.8 | -43.3 | -175 | -55.8 | 0 | 0 | 0 | 0 | 113.1 | S41 K46 H47 L48 | S41-T44 WeakPolarHBondContact O-CB 3.46Å; S41-T44 PolarHBondContact O-N 3.25Å; S41-T44 PolarHBondContact O-OG1 3.33Å; T44-K46 PolarHBondContact O-N 2.84Å; T44-H47 PolarHBondContact O-N 2.88Å; T44-L48 HydrophobicContact CG2-CD1 4.2Å; T44-L48 WeakPolarHBondContact O-CG 3.4Å; T44-L48 PolarHBondContact O-N 3.41Å |
| 45 | E | 87.9 | Confident | 86.5 | Confident | 166 Ų | 166 | 75.4 Ų | 75.4 | 78% | 0.776 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.3 | -44.1 | 176.9 | -175.2 | 172.3 | -153.8 | 0 | 0 | 112.4 | R43 L48 E49 | R43-E45 VanDerWaalsContact C-N 3.27Å; R43-E45 PolarHBondContact O-N 2.89Å; R43-E45 VanDerWaalsContact O-N 3.16Å; E45-L48 PolarHBondContact O-N 2.85Å; E45-E49 PolarHBondContact O-N 2.85Å |
| 46 | K | 88.4 | Confident | 86.8 | Confident | 81 Ų | 81 | 75.8 Ų | 75.8 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.9 | -31.1 | 174.9 | -76.1 | -66.9 | 177.6 | -172 | 0 | 113.2 | F27 N31 W33 R43 T44 E49 M50 | F27-K46 HydrophobicContact CE1-CB 4.25Å; F27-K46 HydrophobicContact CE1-CD 4.06Å; F27-K46 WeakPolarHBondContact CE1-O 3.49Å; F27-K46 HydrophobicContact CZ-CD 4.29Å; N31-K46 WeakPolarHBondContact OD1-CD 3.32Å; W33-K46 HydrophobicContact CH2-CB 3.84Å; W33-K46 HydrophobicContact CZ2-CB 3.79Å; W33-K46 HydrophobicContact CZ2-CG 4.43Å; R43-K46 CarbonylContact O-C 3.46Å; R43-K46 WeakPolarHBondContact O-CA 3.43Å; R43-K46 PolarHBondContact O-N 3.41Å; T44-K46 PolarHBondContact O-N 2.84Å; K46-E49 WeakPolarHBondContact CD-OE2 3.2Å; K46-E49 WeakPolarHBondContact CE-OE2 3.23Å; K46-E49 IonicContact NZ-OE1 2.74Å; K46-E49 IonicContact NZ-OE2 3.67Å; K46-E49 PolarHBondContact NZ-OE2 2.84Å; K46-M50 WeakPolarHBondContact O-CB 3.31Å; K46-M50 PolarHBondContact O-N 2.94Å |
| 47 | H | 88.7 | Confident | 87.2 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 170.6 | -58.9 | 151.3 | 0 | 0 | 0 | 111.4 | W33 D37 R43 T44 M50 F51 | W33-H47 AromaticContact CH2-CD2 3.62Å; W33-H47 AromaticContact CH2-NE2 3.81Å; W33-H47 AromaticContact CZ3-CD2 3.86Å; W33-H47 AromaticContact CZ3-NE2 3.97Å; D37-H47 PolarHBondContact O-CE1 3.28Å; D37-H47 PolarHBondContact O-NE2 2.98Å; R43-H47 VanDerWaalsContact CB-CE1 3.48Å; R43-H47 WeakPolarHBondContact CB-CE1 3.3Å; R43-H47 PolarHBondContact O-N 3.42Å; T44-H47 PolarHBondContact O-N 2.88Å; H47-M50 WeakPolarHBondContact O-CB 3.36Å; H47-M50 PolarHBondContact O-N 3.4Å; H47-F51 HydrophobicContact CB-CD2 4.47Å; H47-F51 HydrophobicContact CB-CE2 4.16Å; H47-F51 WeakPolarHBondContact O-CD2 3.3Å; H47-F51 WeakPolarHBondContact O-CG 3.33Å; H47-F51 PolarHBondContact O-N 2.99Å |
| 48 | L | 89.5 | Confident | 87.6 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 56% | 0.56 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 175.7 | -70.3 | 168.6 | 0 | 0 | 0 | 112.2 | T44 E45 F51 S52 | T44-L48 HydrophobicContact CG2-CD1 4.2Å; T44-L48 WeakPolarHBondContact O-CG 3.4Å; T44-L48 PolarHBondContact O-N 3.41Å; E45-L48 PolarHBondContact O-N 2.85Å; L48-F51 PolarHBondContact O-N 3.3Å; L48-S52 WeakPolarHBondContact O-CB 3.46Å; L48-S52 PolarHBondContact O-N 2.9Å; L48-S52 PolarHBondContact O-OG 3.3Å |
| 49 | E | 91 | Very high | 87.8 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 172 | -171.4 | -179.4 | -170.2 | 0 | 0 | 111 | F27 E45 K46 F51 S52 V53 | F27-E49 HydrophobicContact CE2-CG 4.14Å; F27-E49 HydrophobicContact CZ-CB 3.87Å; F27-E49 HydrophobicContact CZ-CG 3.75Å; E45-E49 PolarHBondContact O-N 2.85Å; K46-E49 WeakPolarHBondContact CD-OE2 3.2Å; K46-E49 WeakPolarHBondContact CE-OE2 3.23Å; K46-E49 IonicContact NZ-OE1 2.74Å; K46-E49 IonicContact NZ-OE2 3.67Å; K46-E49 PolarHBondContact NZ-OE2 2.84Å; E49-F51 PolarHBondContact O-N 2.91Å; E49-S52 WeakPolarHBondContact O-CB 3.48Å; E49-S52 PolarHBondContact O-N 3.23Å; E49-S52 VanDerWaalsContact O-N 3.13Å; E49-V53 PolarHBondContact O-N 3.35Å |
| 50 | M | 91.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 176 | -172.3 | -177 | 71.4 | 0 | 0 | 112.4 | C24 F27 L38 K46 H47 S52 V53 I54 | C24-M50 HydrophobicContact CB-SD 4.44Å; F27-M50 HydrophobicContact CB-CB 4.45Å; F27-M50 HydrophobicContact CB-CG 3.81Å; F27-M50 HydrophobicContact CB-SD 3.93Å; F27-M50 HydrophobicContact CD1-CB 3.7Å; F27-M50 HydrophobicContact CD1-CG 3.98Å; F27-M50 HydrophobicContact CD1-SD 4.24Å; F27-M50 HydrophobicContact CD2-CB 4.05Å; F27-M50 HydrophobicContact CD2-CG 4.11Å; F27-M50 HydrophobicContact CE1-CB 3.87Å; F27-M50 HydrophobicContact CE2-CB 4.21Å; F27-M50 HydrophobicContact CG-CB 3.79Å; F27-M50 HydrophobicContact CG-CG 3.68Å; F27-M50 HydrophobicContact CG-SD 4.21Å; F27-M50 HydrophobicContact CZ-CB 4.12Å; L38-M50 HydrophobicContact CD2-CE 4.01Å; K46-M50 WeakPolarHBondContact O-CB 3.31Å; K46-M50 PolarHBondContact O-N 2.94Å; H47-M50 WeakPolarHBondContact O-CB 3.36Å; H47-M50 PolarHBondContact O-N 3.4Å; M50-S52 VanDerWaalsContact C-N 3.29Å; M50-S52 PolarHBondContact O-N 3.46Å; M50-V53 PolarHBondContact O-N 2.95Å; M50-I54 HydrophobicContact CG-CD1 4.18Å; M50-I54 WeakPolarHBondContact O-CG1 3.39Å; M50-I54 PolarHBondContact O-N 2.89Å |
| 51 | F | 90.9 | Very high | 88.6 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 37% | 0.373 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | 177.1 | -68.6 | -54.8 | 0 | 0 | 0 | 112.5 | L38 H47 L48 E49 V53 I54 E55 | L38-F51 HydrophobicContact CD1-CZ 4.34Å; L38-F51 HydrophobicContact CD2-CZ 4.12Å; H47-F51 HydrophobicContact CB-CD2 4.47Å; H47-F51 HydrophobicContact CB-CE2 4.16Å; H47-F51 WeakPolarHBondContact O-CD2 3.3Å; H47-F51 WeakPolarHBondContact O-CG 3.33Å; H47-F51 PolarHBondContact O-N 2.99Å; L48-F51 PolarHBondContact O-N 3.3Å; E49-F51 PolarHBondContact O-N 2.91Å; F51-V53 VanDerWaalsContact C-N 3.31Å; F51-V53 PolarHBondContact O-N 2.89Å; F51-I54 HydrophobicContact CD1-CD1 4.04Å; F51-I54 PolarHBondContact O-N 3.32Å; F51-E55 PolarHBondContact O-N 2.85Å |
| 52 | S | 90.3 | Very high | 88.9 | Confident | 66 Ų | 66 | 76.7 Ų | 76.7 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.5 | -27 | 175.3 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | L48 E49 M50 | L48-S52 WeakPolarHBondContact O-CB 3.46Å; L48-S52 PolarHBondContact O-N 2.9Å; L48-S52 PolarHBondContact O-OG 3.3Å; E49-S52 WeakPolarHBondContact O-CB 3.48Å; E49-S52 PolarHBondContact O-N 3.23Å; E49-S52 VanDerWaalsContact O-N 3.13Å; M50-S52 VanDerWaalsContact C-N 3.29Å; M50-S52 PolarHBondContact O-N 3.46Å |
| 53 | V | 92.2 | Very high | 89 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -76.9 | -41.6 | 169.5 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | T23 E49 M50 F51 E55 R56 E57 | T23-V53 HydrophobicContact CG2-CB 4.01Å; T23-V53 HydrophobicContact CG2-CG1 3.63Å; E49-V53 PolarHBondContact O-N 3.35Å; M50-V53 PolarHBondContact O-N 2.95Å; F51-V53 VanDerWaalsContact C-N 3.31Å; F51-V53 PolarHBondContact O-N 2.89Å; V53-E55 PolarHBondContact O-N 2.84Å; V53-R56 WeakPolarHBondContact O-CB 3.36Å; V53-R56 PolarHBondContact O-N 2.83Å; V53-R56 VanDerWaalsContact O-N 3.12Å; V53-E57 HydrophobicContact CG1-CG 4.14Å; V53-E57 WeakPolarHBondContact O-CG 3.43Å; V53-E57 PolarHBondContact O-N 2.84Å |
| 54 | I | 93.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.6 | -69.4 | 165.8 | 0 | 0 | 0 | 111.5 | V3 I20 T23 M50 F51 R56 E57 L58 | V3-I54 HydrophobicContact CG2-CG2 4.3Å; I20-I54 HydrophobicContact CG1-CG2 3.89Å; T23-I54 HydrophobicContact CG2-CG1 3.59Å; M50-I54 HydrophobicContact CG-CD1 4.18Å; M50-I54 WeakPolarHBondContact O-CG1 3.39Å; M50-I54 PolarHBondContact O-N 2.89Å; F51-I54 HydrophobicContact CD1-CD1 4.04Å; F51-I54 PolarHBondContact O-N 3.32Å; I54-R56 VanDerWaalsContact C-N 3.3Å; I54-R56 PolarHBondContact O-N 3.34Å; I54-E57 PolarHBondContact O-N 2.89Å; I54-L58 HydrophobicContact CG2-CD1 3.74Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CB 3.18Å; I54-L58 VanDerWaalsContact O-CG 3.28Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 3.27Å |
| 55 | E | 89.8 | Confident | 88.9 | Confident | 66 Ų | 66 | 72.3 Ų | 72.3 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 175.8 | -168.7 | -169.9 | 129.5 | 0 | 0 | 111.4 | F51 V53 I59 K66 | F51-E55 PolarHBondContact O-N 2.85Å; V53-E55 PolarHBondContact O-N 2.84Å; E55-I59 HydrophobicContact CG-CD1 3.96Å; E55-I59 WeakPolarHBondContact O-CD1 3.37Å; E55-I59 VanDerWaalsContact O-CG1 3.26Å; E55-I59 WeakPolarHBondContact O-CG1 3.24Å; E55-I59 PolarHBondContact O-N 3.1Å; E55-I59 VanDerWaalsContact O-N 3.11Å; E55-K66 VanDerWaalsContact OE1-CE 3.25Å; E55-K66 WeakPolarHBondContact OE1-CE 3.44Å; E55-K66 IonicContact OE1-NZ 2.69Å; E55-K66 PolarHBondContact OE1-NZ 2.68Å |
| 56 | R | 90.8 | Very high | 88.8 | Confident | 167 Ų | 167 | 68.7 Ų | 68.7 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67 | -44.8 | -178.8 | -166.5 | -171.8 | -51.9 | 158.4 | 8.4 | 112.6 | V53 I54 I59 A60 | V53-R56 WeakPolarHBondContact O-CB 3.36Å; V53-R56 PolarHBondContact O-N 2.83Å; V53-R56 VanDerWaalsContact O-N 3.12Å; I54-R56 VanDerWaalsContact C-N 3.3Å; I54-R56 PolarHBondContact O-N 3.34Å; R56-I59 PolarHBondContact O-N 2.94Å; R56-A60 WeakPolarHBondContact O-CB 3.41Å; R56-A60 PolarHBondContact O-N 3.28Å |
| 57 | E | 91.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 19% | 0.187 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 176.4 | -70.8 | -82.7 | 119.3 | 0 | 0 | 110.5 | V53 I54 I59 A60 Y61 | V53-E57 HydrophobicContact CG1-CG 4.14Å; V53-E57 WeakPolarHBondContact O-CG 3.43Å; V53-E57 PolarHBondContact O-N 2.84Å; I54-E57 PolarHBondContact O-N 2.89Å; E57-I59 PolarHBondContact O-N 3.35Å; E57-A60 PolarHBondContact O-N 3.42Å; E57-A60 VanDerWaalsContact O-N 3.11Å; E57-Y61 WeakPolarHBondContact O-CD2 3.4Å; E57-Y61 PolarHBondContact O-N 3.48Å |
| 58 | L | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 179.7 | -72.6 | 171.9 | 0 | 0 | 0 | 112.6 | V3 C7 H19 I20 I54 K62 C63 M64 | V3-L58 HydrophobicContact CG1-CD1 3.81Å; C7-L58 HydrophobicContact CB-CD1 4.35Å; H19-L58 HydrophobicContact CB-CD2 4.18Å; I20-L58 HydrophobicContact CD1-CD1 4.18Å; I20-L58 HydrophobicContact CG1-CD1 3.97Å; I20-L58 HydrophobicContact CG1-CD2 4.24Å; I20-L58 HydrophobicContact CG1-CG 4.44Å; I54-L58 HydrophobicContact CG2-CD1 3.74Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CB 3.18Å; I54-L58 VanDerWaalsContact O-CG 3.28Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 3.27Å; L58-K62 PolarHBondContact O-N 3.3Å; L58-C63 HydrophobicContact CB-CB 4.39Å; L58-C63 HydrophobicContact CD2-CB 3.56Å; L58-C63 CarbonylContact O-C 3.52Å; L58-C63 WeakPolarHBondContact O-CA 3.44Å; L58-C63 PolarHBondContact O-N 2.97Å; L58-M64 HydrophobicContact CB-CB 3.99Å; L58-M64 HydrophobicContact CB-CE 3.87Å; L58-M64 HydrophobicContact CD1-CE 3.53Å; L58-M64 HydrophobicContact CG-CE 4.36Å; L58-M64 PolarHBondContact O-N 2.87Å |
| 59 | I | 89.2 | Confident | 89.2 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73 | -43.6 | 173.7 | -66.5 | 166 | 0 | 0 | 0 | 111.5 | E55 R56 E57 Y61 K62 M64 K66 | E55-I59 HydrophobicContact CG-CD1 3.96Å; E55-I59 WeakPolarHBondContact O-CD1 3.37Å; E55-I59 VanDerWaalsContact O-CG1 3.26Å; E55-I59 WeakPolarHBondContact O-CG1 3.24Å; E55-I59 PolarHBondContact O-N 3.1Å; E55-I59 VanDerWaalsContact O-N 3.11Å; R56-I59 PolarHBondContact O-N 2.94Å; E57-I59 PolarHBondContact O-N 3.35Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 2.85Å; I59-K62 PolarHBondContact O-N 3.46Å; I59-K62 VanDerWaalsContact O-N 3.15Å; I59-M64 WeakPolarHBondContact CA-O 3.29Å; I59-M64 HydrophobicContact CG1-CB 4.48Å; I59-K66 HydrophobicContact CD1-CD 4.06Å; I59-K66 HydrophobicContact CD1-CG 4.24Å |
| 60 | A | 90.5 | Very high | 89.4 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 60% | 0.595 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.1 | -38.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | R56 E57 | R56-A60 WeakPolarHBondContact O-CB 3.41Å; R56-A60 PolarHBondContact O-N 3.28Å; E57-A60 PolarHBondContact O-N 3.42Å; E57-A60 VanDerWaalsContact O-N 3.11Å |
| 61 | Y | 88.4 | Confident | 89.5 | Confident | 136 Ų | 136 | 59.6 Ų | 59.6 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 15 | 177.7 | -68.5 | -82.5 | 0 | 0 | 0 | 113.8 | H19 E57 I59 C63 | H19-Y61 AromaticContact CE1-CD1 3.56Å; H19-Y61 AromaticContact CE1-CD2 3.22Å; H19-Y61 WeakPolarHBondContact CE1-CD2 3.34Å; H19-Y61 AromaticContact CE1-CE1 3.77Å; H19-Y61 AromaticContact CE1-CE2 3.45Å; H19-Y61 VanDerWaalsContact CE1-CE2 3.45Å; H19-Y61 WeakPolarHBondContact CE1-CE2 3.27Å; H19-Y61 AromaticContact CE1-CG 3.29Å; H19-Y61 AromaticContact CE1-CZ 3.72Å; H19-Y61 AromaticContact ND1-CD2 3.35Å; H19-Y61 WeakPolarHBondContact ND1-CD2 3.29Å; H19-Y61 AromaticContact ND1-CE2 3.66Å; H19-Y61 AromaticContact ND1-CG 3.82Å; H19-Y61 AromaticContact NE2-CD1 3.91Å; H19-Y61 AromaticContact NE2-CG 3.71Å; E57-Y61 WeakPolarHBondContact O-CD2 3.4Å; E57-Y61 PolarHBondContact O-N 3.48Å; I59-Y61 VanDerWaalsContact C-N 3.31Å; I59-Y61 PolarHBondContact O-N 2.85Å; Y61-C63 PolarHBondContact O-N 2.96Å |
| 62 | K | 85.3 | Confident | 89.6 | Confident | 154 Ų | 154 | 56 Ų | 56 | 67% | 0.67 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 16.5 | -179 | -62.4 | -169.4 | 165.4 | -133.5 | 0 | 116 | L58 I59 M64 E65 | L58-K62 PolarHBondContact O-N 3.3Å; I59-K62 PolarHBondContact O-N 3.46Å; I59-K62 VanDerWaalsContact O-N 3.15Å; K62-M64 PolarHBondContact O-N 3.3Å; K62-E65 IonicContact NZ-OE1 3.5Å |
| 63 | C | 81.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 58 Ų | 58 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -72.2 | -12.5 | 172.1 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | C7 L58 Y61 | C7-C63 PolarHBondContact SG-O 2.83Å; C7-C63 VanDerWaalsContact SG-O 3.36Å; L58-C63 HydrophobicContact CB-CB 4.39Å; L58-C63 HydrophobicContact CD2-CB 3.56Å; L58-C63 CarbonylContact O-C 3.52Å; L58-C63 WeakPolarHBondContact O-CA 3.44Å; L58-C63 PolarHBondContact O-N 2.97Å; Y61-C63 PolarHBondContact O-N 2.96Å |
| 64 | M | 82.6 | Confident | 89.4 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -147.9 | 128 | 170.5 | -168.7 | -169 | -37.8 | 0 | 0 | 109.2 | V3 P4 L58 I59 K62 | V3-M64 HydrophobicContact CG1-CE 4.2Å; P4-M64 HydrophobicContact CG-CE 4.42Å; P4-M64 HydrophobicContact CG-CG 4.25Å; P4-M64 HydrophobicContact CG-SD 4.05Å; L58-M64 HydrophobicContact CB-CB 3.99Å; L58-M64 HydrophobicContact CB-CE 3.87Å; L58-M64 HydrophobicContact CD1-CE 3.53Å; L58-M64 HydrophobicContact CG-CE 4.36Å; L58-M64 PolarHBondContact O-N 2.87Å; I59-M64 WeakPolarHBondContact CA-O 3.29Å; I59-M64 HydrophobicContact CG1-CB 4.48Å; K62-M64 PolarHBondContact O-N 3.3Å |
| 65 | E | 82.5 | Confident | 89.2 | Confident | 127 Ų | 127 | 62.5 Ų | 62.5 | 59% | 0.593 | 31% | 0.31 | S | S | * | . | trans | -108.6 | 146.7 | 169.3 | -63.3 | -166.6 | 154.4 | 0 | 0 | 109.8 | K62 | K62-E65 IonicContact NZ-OE1 3.5Š| ||
| 66 | K | 85.2 | Confident | 89.1 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 39% | 0.391 | 32% | 0.318 | S | S | . | . | trans | -86.2 | 130.9 | 176.8 | -81.2 | -179.6 | 170.1 | 166.8 | 0 | 109.6 | E55 I59 V68 | E55-K66 VanDerWaalsContact OE1-CE 3.25Å; E55-K66 WeakPolarHBondContact OE1-CE 3.44Å; E55-K66 IonicContact OE1-NZ 2.69Å; E55-K66 PolarHBondContact OE1-NZ 2.68Å; I59-K66 HydrophobicContact CD1-CD 4.06Å; I59-K66 HydrophobicContact CD1-CG 4.24Å; K66-V68 PolarHBondContact O-N 2.85Å | ||
| 67 | P | 89.1 | Confident | 89 | Confident | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.071 | 33% | 0.326 | C | S | . | . | trans | -67 | 135.2 | -176.9 | 26.6 | -32.9 | 0 | 0 | 0 | 111.1 | V92 W178 W188 | P67-V92 HydrophobicContact CG-CG2 4.23Å; P67-V92 WeakPolarHBondContact O-CG1 3.2Å; P67-W178 HydrophobicContact CB-CH2 3.83Å; P67-W178 HydrophobicContact CG-CH2 3.9Å; P67-W188 HydrophobicContact CG-CD2 4.24Å; P67-W188 HydrophobicContact CG-CE3 4.11Å; P67-W188 HydrophobicContact CG-CH2 3.35Å; P67-W188 HydrophobicContact CG-CZ2 3.42Å; P67-W188 VanDerWaalsContact CG-CZ2 3.42Å; P67-W188 HydrophobicContact CG-CZ3 3.68Å | ||
| 68 | V | 92.3 | Very high | 88.8 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.8 | 171.3 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | K66 V95 E100 T102 H103 | K66-V68 PolarHBondContact O-N 2.85Å; V68-V95 HydrophobicContact CG1-CB 4.42Å; V68-V95 HydrophobicContact CG1-CG2 3.37Å; V68-E100 WeakPolarHBondContact CG1-O 3.21Å; V68-T102 HydrophobicContact CB-CG2 4.29Å; V68-T102 HydrophobicContact CG2-CG2 4.45Å; V68-T102 PolarHBondContact N-OG1 2.87Å; V68-T102 PolarHBondContact O-N 3.38Å; V68-T102 PolarHBondContact O-OG1 3.25Å; V68-H103 PolarHBondContact O-N 2.96Å |
| 69 | V | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.4 | -165.7 | 166.2 | 0 | 0 | 0 | 0 | 112.2 | I71 V92 S93 V94 V95 H103 L105 W178 | V69-I71 HydrophobicContact CG1-CG1 4.04Å; V69-V92 HydrophobicContact CB-CG1 3.9Å; V69-V92 HydrophobicContact CG2-CG1 3.65Å; V69-S93 PolarHBondContact N-O 3.08Å; V69-V94 CarbonylContact O-C 3.59Å; V69-V94 VanDerWaalsContact O-CA 3.3Å; V69-V94 WeakPolarHBondContact O-CA 3.1Å; V69-V95 PolarHBondContact O-N 3.01Å; V69-H103 WeakPolarHBondContact CA-O 3.31Å; V69-H103 HydrophobicContact CG2-CB 4.31Å; V69-L105 HydrophobicContact CG1-CD1 3.53Å; V69-L105 HydrophobicContact CG1-CG 3.85Å; V69-W178 HydrophobicContact CG2-CZ3 4.33Å |
| 70 | Y | 94.6 | Very high | 88.9 | Confident | 39 Ų | 39 | 67 Ų | 67 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.6 | 163.2 | 174.9 | -109.9 | 0 | 0 | 0 | 109.3 | P73 V95 E96 P98 A101 H103 I104 L105 | Y70-P73 WeakPolarHBondContact OH-CD 3.25Å; Y70-P73 WeakPolarHBondContact OH-CG 3.5Å; Y70-V95 WeakPolarHBondContact CD2-O 3.46Å; Y70-E96 VanDerWaalsContact CE2-O 3.27Å; Y70-E96 WeakPolarHBondContact CE2-O 3.37Å; Y70-P98 HydrophobicContact CD1-CB 3.79Å; Y70-P98 HydrophobicContact CE1-CB 3.91Å; Y70-P98 HydrophobicContact CE1-CG 4.33Å; Y70-P98 HydrophobicContact CG-CB 4.22Å; Y70-A101 VanDerWaalsContact CB-CB 3.49Å; Y70-H103 PolarHBondContact N-O 3.37Å; Y70-I104 HydrophobicContact CD1-CD1 4.38Å; Y70-I104 HydrophobicContact CD1-CG1 4.12Å; Y70-I104 HydrophobicContact CD1-CG2 3.98Å; Y70-I104 WeakPolarHBondContact O-CA 3.31Å; Y70-L105 PolarHBondContact O-N 3.2Å |
| 71 | I | 94.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.5 | 177.8 | -52.1 | 172.8 | 0 | 0 | 0 | 108.5 | V69 V75 N80 L83 R84 V94 | V69-I71 HydrophobicContact CG1-CG1 4.04Å; I71-V75 HydrophobicContact CG2-CB 4.13Å; I71-V75 HydrophobicContact CG2-CG1 4.34Å; I71-V75 HydrophobicContact CG2-CG2 4.05Å; I71-N80 VanDerWaalsContact CG2-ND2 3.32Å; I71-N80 WeakPolarHBondContact CG2-ND2 3.41Å; I71-L83 HydrophobicContact CD1-CB 3.95Å; I71-L83 HydrophobicContact CG2-CD1 4.03Å; I71-R84 HydrophobicContact CD1-CG 3.71Å; I71-V94 HydrophobicContact CD1-CG1 3.87Å; I71-V94 HydrophobicContact CG1-CG1 4.08Å |
| 72 | S | 91.7 | Very high | 89.1 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | trans | -58.1 | 136.9 | -175.3 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | L74 V75 L105 | S72-L74 PolarHBondContact O-N 3.37Å; S72-V75 WeakPolarHBondContact O-CB 3.36Å; S72-V75 WeakPolarHBondContact O-CG2 3.31Å; S72-V75 PolarHBondContact O-N 3Å; S72-L105 WeakPolarHBondContact CB-O 3.46Å; S72-L105 PolarHBondContact N-O 2.92Å | ||
| 73 | P | 89.5 | Confident | 89.5 | Confident | 107 Ų | 107 | 59.5 Ų | 59.5 | 70% | 0.695 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -12.7 | 178.1 | -25.3 | 35.1 | 0 | 0 | 0 | 114.9 | Y70 V75 | Y70-P73 WeakPolarHBondContact OH-CD 3.25Å; Y70-P73 WeakPolarHBondContact OH-CG 3.5Å; P73-V75 VanDerWaalsContact C-N 3.34Å |
| 74 | L | 88.8 | Confident | 90.1 | Very high | 130 Ų | 130 | 63.6 Ų | 63.6 | 68% | 0.681 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -19 | 174.5 | -71.5 | 155.6 | 0 | 0 | 0 | 113 | S72 | S72-L74 PolarHBondContact O-N 3.37Š|
| 75 | V | 89.1 | Confident | 90.6 | Very high | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -67.7 | 131.8 | -178.6 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | I71 S72 P73 L79 N80 L83 | I71-V75 HydrophobicContact CG2-CB 4.13Å; I71-V75 HydrophobicContact CG2-CG1 4.34Å; I71-V75 HydrophobicContact CG2-CG2 4.05Å; S72-V75 WeakPolarHBondContact O-CB 3.36Å; S72-V75 WeakPolarHBondContact O-CG2 3.31Å; S72-V75 PolarHBondContact O-N 3Å; P73-V75 VanDerWaalsContact C-N 3.34Å; V75-L79 HydrophobicContact CG1-CB 4.06Å; V75-L79 HydrophobicContact CG1-CD2 3.94Å; V75-L79 HydrophobicContact CG1-CG 3.85Å; V75-N80 HydrophobicContact CG1-CB 4.47Å; V75-L83 HydrophobicContact CG1-CD1 3.93Å |
| 76 | E | 88.7 | Confident | 91.1 | Very high | 104 Ų | 104 | 62 Ų | 62 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | trans | -56.4 | 139.3 | -179.1 | -159.3 | -130.4 | 111.5 | 0 | 0 | 112 | T78 L79 N80 | E76-T78 VanDerWaalsContact C-N 3.29Å; E76-T78 PolarHBondContact O-N 3.5Å; E76-T78 WeakPolarHBondContact OE1-CB 3.37Å; E76-T78 PolarHBondContact OE1-N 2.92Å; E76-T78 PolarHBondContact OE1-OG1 3.01Å; E76-L79 HydrophobicContact CB-CB 4.4Å; E76-L79 CarbonylContact O-C 3.59Å; E76-L79 WeakPolarHBondContact O-CA 3.37Å; E76-L79 WeakPolarHBondContact O-CB 3.43Å; E76-L79 PolarHBondContact O-N 2.93Å; E76-N80 PolarHBondContact O-N 3.4Å | ||
| 77 | K | 87.8 | Confident | 91.4 | Very high | 181 Ų | 181 | 57.8 Ų | 57.8 | 79% | 0.787 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.2 | -36.5 | -171.1 | -65.3 | -176 | 179.3 | -177.4 | 0 | 113.4 | L79 N80 S81 | K77-L79 VanDerWaalsContact C-N 3.32Å; K77-N80 PolarHBondContact O-N 3.27Å; K77-S81 PolarHBondContact O-N 3.46Å; K77-S81 PolarHBondContact O-OG 3.26Å |
| 78 | T | 87.8 | Confident | 91.5 | Very high | 91 Ų | 91 | 65.6 Ų | 65.6 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.4 | -37 | 177.4 | -41.6 | 0 | 0 | 0 | 0 | 111.4 | E76 K82 | E76-T78 VanDerWaalsContact C-N 3.29Å; E76-T78 PolarHBondContact O-N 3.5Å; E76-T78 WeakPolarHBondContact OE1-CB 3.37Å; E76-T78 PolarHBondContact OE1-N 2.92Å; E76-T78 PolarHBondContact OE1-OG1 3.01Å; T78-K82 PolarHBondContact O-N 3.42Å |
| 79 | L | 90.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -74.7 | -38.2 | 176.1 | 179.8 | 56.9 | 0 | 0 | 0 | 111.9 | V75 E76 K77 S81 K82 L83 P108 A176 L180 | V75-L79 HydrophobicContact CG1-CB 4.06Å; V75-L79 HydrophobicContact CG1-CD2 3.94Å; V75-L79 HydrophobicContact CG1-CG 3.85Å; E76-L79 HydrophobicContact CB-CB 4.4Å; E76-L79 CarbonylContact O-C 3.59Å; E76-L79 WeakPolarHBondContact O-CA 3.37Å; E76-L79 WeakPolarHBondContact O-CB 3.43Å; E76-L79 PolarHBondContact O-N 2.93Å; K77-L79 VanDerWaalsContact C-N 3.32Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.07Å; L79-K82 WeakPolarHBondContact O-CB 3.3Å; L79-K82 PolarHBondContact O-N 2.86Å; L79-K82 VanDerWaalsContact O-N 3.09Å; L79-L83 HydrophobicContact CD1-CD1 4.41Å; L79-L83 HydrophobicContact CD1-CG 4.16Å; L79-L83 HydrophobicContact CG-CD1 4.07Å; L79-L83 HydrophobicContact CG-CG 4.31Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.35Å; L79-P108 VanDerWaalsContact CD2-CD 3.44Å; L79-P108 HydrophobicContact CD2-CG 3.79Å; L79-A176 HydrophobicContact CD2-CB 4.38Å; L79-L180 HydrophobicContact CD1-CD1 4.03Å |
| 80 | N | 91.9 | Very high | 91.2 | Very high | 33 Ų | 33 | 71.2 Ų | 71.2 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.8 | -41.8 | 175.3 | -161.1 | -72.8 | 0 | 0 | 0 | 111.5 | I71 V75 E76 K77 L83 R84 | I71-N80 VanDerWaalsContact CG2-ND2 3.32Å; I71-N80 WeakPolarHBondContact CG2-ND2 3.41Å; V75-N80 HydrophobicContact CG1-CB 4.47Å; E76-N80 PolarHBondContact O-N 3.4Å; K77-N80 PolarHBondContact O-N 3.27Å; N80-L83 PolarHBondContact O-N 3.44Å; N80-R84 WeakPolarHBondContact O-CG 3.33Å; N80-R84 PolarHBondContact O-N 3.26Å; N80-R84 PolarHBondContact OD1-NE 3.29Å |
| 81 | S | 91.7 | Very high | 91 | Very high | 80 Ų | 80 | 75.2 Ų | 75.2 | 56% | 0.559 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.6 | -47.8 | 173.1 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | K77 L79 R84 E85 | K77-S81 PolarHBondContact O-N 3.46Å; K77-S81 PolarHBondContact O-OG 3.26Å; L79-S81 VanDerWaalsContact C-N 3.28Å; L79-S81 PolarHBondContact O-N 3.07Å; S81-R84 PolarHBondContact O-N 2.95Å; S81-E85 PolarHBondContact O-N 3.15Å |
| 82 | K | 91.8 | Very high | 90.7 | Very high | 123 Ų | 123 | 75.6 Ų | 75.6 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 176.3 | -69.4 | -175.5 | 175.9 | -172.5 | 0 | 111.8 | T78 L79 R84 E85 S86 | T78-K82 PolarHBondContact O-N 3.42Å; L79-K82 WeakPolarHBondContact O-CB 3.3Å; L79-K82 PolarHBondContact O-N 2.86Å; L79-K82 VanDerWaalsContact O-N 3.09Å; K82-R84 PolarHBondContact O-N 3.23Å; K82-E85 WeakPolarHBondContact O-CB 3.46Å; K82-E85 PolarHBondContact O-N 3.4Å; K82-E85 VanDerWaalsContact O-N 3.1Å; K82-S86 PolarHBondContact O-N 3.2Å; K82-S86 PolarHBondContact O-OG 3.21Å |
| 83 | L | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 179.7 | -67.8 | 170.7 | 0 | 0 | 0 | 112.4 | I71 V75 L79 N80 E85 S86 A87 L105 A176 L179 L180 | I71-L83 HydrophobicContact CD1-CB 3.95Å; I71-L83 HydrophobicContact CG2-CD1 4.03Å; V75-L83 HydrophobicContact CG1-CD1 3.93Å; L79-L83 HydrophobicContact CD1-CD1 4.41Å; L79-L83 HydrophobicContact CD1-CG 4.16Å; L79-L83 HydrophobicContact CG-CD1 4.07Å; L79-L83 HydrophobicContact CG-CG 4.31Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.35Å; N80-L83 PolarHBondContact O-N 3.44Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 2.86Å; L83-S86 PolarHBondContact O-N 3.18Å; L83-A87 VanDerWaalsContact O-CB 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.32Å; L83-A87 PolarHBondContact O-N 3.42Å; L83-L105 HydrophobicContact CD2-CD1 4.35Å; L83-A176 HydrophobicContact CD1-CB 3.75Å; L83-A176 HydrophobicContact CD2-CB 3.94Å; L83-A176 HydrophobicContact CG-CB 4.43Å; L83-L179 HydrophobicContact CB-CD2 4.24Å; L83-L179 HydrophobicContact CD2-CB 4.15Å; L83-L179 HydrophobicContact CD2-CD2 4.02Å; L83-L179 HydrophobicContact CD2-CG 4.46Å; L83-L179 WeakPolarHBondContact O-CD2 3.37Å; L83-L180 HydrophobicContact CD2-CD2 3.85Å; L83-L180 HydrophobicContact CD2-CG 3.88Å |
| 84 | R | 93.9 | Very high | 90.9 | Very high | 117 Ų | 117 | 75 Ų | 75 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.2 | -31.7 | 173.6 | -72.4 | -179.9 | -179.9 | -98 | 2.7 | 112.4 | I71 N80 S81 K82 K88 | I71-R84 HydrophobicContact CD1-CG 3.71Å; N80-R84 WeakPolarHBondContact O-CG 3.33Å; N80-R84 PolarHBondContact O-N 3.26Å; N80-R84 PolarHBondContact OD1-NE 3.29Å; S81-R84 PolarHBondContact O-N 2.95Å; K82-R84 PolarHBondContact O-N 3.23Å; R84-K88 WeakPolarHBondContact O-CB 3.17Å; R84-K88 PolarHBondContact O-N 3.31Å; R84-K88 VanDerWaalsContact O-N 3.11Å |
| 85 | E | 93.2 | Very high | 91.1 | Very high | 110 Ų | 110 | 70.1 Ų | 70.1 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.4 | -46.4 | 173.7 | -161.9 | -173.2 | 138 | 0 | 0 | 111.9 | S81 K82 L83 K88 R89 | S81-E85 PolarHBondContact O-N 3.15Å; K82-E85 WeakPolarHBondContact O-CB 3.46Å; K82-E85 PolarHBondContact O-N 3.4Å; K82-E85 VanDerWaalsContact O-N 3.1Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-E85 PolarHBondContact O-N 2.86Å; E85-K88 WeakPolarHBondContact O-CB 3.18Å; E85-K88 PolarHBondContact O-N 3.19Å; E85-R89 PolarHBondContact O-N 3.28Å; E85-R89 IonicContact OE1-CZ 3.54Å; E85-R89 IonicContact OE1-NH1 3.52Å; E85-R89 PolarHBondContact OE1-NH1 3.2Å; E85-R89 IonicContact OE1-NH2 2.74Å |
| 86 | S | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 77.8 Ų | 77.8 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | K82 L83 K88 R89 L90 D183 | K82-S86 PolarHBondContact O-N 3.2Å; K82-S86 PolarHBondContact O-OG 3.21Å; L83-S86 PolarHBondContact O-N 3.18Å; S86-K88 VanDerWaalsContact C-N 3.26Å; S86-K88 PolarHBondContact O-N 2.61Å; S86-R89 PolarHBondContact O-N 3.47Å; S86-R89 VanDerWaalsContact O-N 3.15Å; S86-R89 PolarHBondContact OG-NH2 3.02Å; S86-L90 WeakPolarHBondContact O-CG 3.45Å; S86-L90 PolarHBondContact O-N 3.2Å; S86-D183 WeakPolarHBondContact CA-OD2 3.27Å; S86-D183 WeakPolarHBondContact CB-OD2 3.16Å; S86-D183 PolarHBondContact OG-OD2 3.33Å |
| 87 | A | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L83 L90 N91 V92 V94 L179 | L83-A87 VanDerWaalsContact O-CB 3.29Å; L83-A87 WeakPolarHBondContact O-CB 3.32Å; L83-A87 PolarHBondContact O-N 3.42Å; A87-L90 PolarHBondContact O-N 3.36Å; A87-N91 PolarHBondContact O-N 3.15Å; A87-V92 HydrophobicContact CB-CB 4.02Å; A87-V92 HydrophobicContact CB-CG1 4.09Å; A87-V92 PolarHBondContact O-N 3.21Å; A87-V94 HydrophobicContact CB-CG2 3.47Å; A87-V94 VanDerWaalsContact CB-CG2 3.47Å; A87-L179 HydrophobicContact CB-CD2 4.12Å |
| 88 | K | 91.7 | Very high | 91.1 | Very high | 176 Ų | 176 | 68.4 Ų | 68.4 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.9 | -36.8 | 176 | -172 | 179.2 | 178.3 | -175.8 | 0 | 112.7 | R84 E85 S86 N91 | R84-K88 WeakPolarHBondContact O-CB 3.17Å; R84-K88 PolarHBondContact O-N 3.31Å; R84-K88 VanDerWaalsContact O-N 3.11Å; E85-K88 WeakPolarHBondContact O-CB 3.18Å; E85-K88 PolarHBondContact O-N 3.19Å; S86-K88 VanDerWaalsContact C-N 3.26Å; S86-K88 PolarHBondContact O-N 2.61Å; K88-N91 PolarHBondContact O-N 2.93Å |
| 89 | R | 90.6 | Very high | 91 | Very high | 131 Ų | 131 | 68.7 Ų | 68.7 | 49% | 0.494 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 173 | -82.1 | -165.2 | -74.7 | -93.1 | -1.9 | 112.5 | E85 S86 N91 D183 | E85-R89 PolarHBondContact O-N 3.28Å; E85-R89 IonicContact OE1-CZ 3.54Å; E85-R89 IonicContact OE1-NH1 3.52Å; E85-R89 PolarHBondContact OE1-NH1 3.2Å; E85-R89 IonicContact OE1-NH2 2.74Å; S86-R89 PolarHBondContact O-N 3.47Å; S86-R89 VanDerWaalsContact O-N 3.15Å; S86-R89 PolarHBondContact OG-NH2 3.02Å; R89-N91 PolarHBondContact O-N 3.43Å; R89-D183 WeakPolarHBondContact CB-OD1 3.29Å; R89-D183 WeakPolarHBondContact CD-OD1 3.11Å; R89-D183 IonicContact CZ-OD1 3.35Å; R89-D183 IonicContact CZ-OD2 2.77Å; R89-D183 VanDerWaalsContact CZ-OD2 3.23Å; R89-D183 VanDerWaalsContact NE-CG 3.34Å; R89-D183 IonicContact NE-OD1 3.02Å; R89-D183 PolarHBondContact NE-OD1 3.17Å; R89-D183 IonicContact NE-OD2 3.88Å; R89-D183 PolarHBondContact NE-OD2 2.83Å; R89-D183 IonicContact NH2-OD2 3.98Å; R89-D183 PolarHBondContact NH2-OD2 3.36Å |
| 90 | L | 89.2 | Confident | 90.8 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.2 | 178.7 | -64.6 | -179.9 | 0 | 0 | 0 | 114.1 | M1 S86 A87 V92 L179 D183 W188 | M1-L90 HydrophobicContact CE-CD1 4Å; M1-L90 HydrophobicContact CE-CD2 3.63Å; M1-L90 HydrophobicContact CE-CG 4.36Å; M1-L90 HydrophobicContact SD-CD2 3.89Å; S86-L90 WeakPolarHBondContact O-CG 3.45Å; S86-L90 PolarHBondContact O-N 3.2Å; A87-L90 PolarHBondContact O-N 3.36Å; L90-V92 VanDerWaalsContact C-N 3.33Å; L90-V92 HydrophobicContact CB-CG2 4.04Å; L90-V92 PolarHBondContact O-N 2.88Å; L90-L179 HydrophobicContact CD1-CD1 3.85Å; L90-D183 HydrophobicContact CD1-CB 4Å; L90-D183 HydrophobicContact CG-CB 4.2Å; L90-W188 HydrophobicContact CB-CH2 4.17Å; L90-W188 HydrophobicContact CD1-CH2 3.93Å; L90-W188 HydrophobicContact CD1-CZ3 3.97Å |
| 91 | N | 88.9 | Confident | 90.7 | Very high | 124 Ų | 124 | 72.7 Ų | 72.7 | 66% | 0.663 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 44.5 | -178.2 | -162.1 | 82.1 | 0 | 0 | 0 | 113.2 | A87 K88 R89 | A87-N91 PolarHBondContact O-N 3.15Å; K88-N91 PolarHBondContact O-N 2.93Å; R89-N91 PolarHBondContact O-N 3.43Å |
| 92 | V | 89.7 | Confident | 90.6 | Very high | 18 Ų | 18 | 71.3 Ų | 71.3 | 11% | 0.109 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 138.9 | 177 | 164.4 | 0 | 0 | 0 | 0 | 110.8 | P67 V69 A87 L90 W188 | P67-V92 HydrophobicContact CG-CG2 4.23Å; P67-V92 WeakPolarHBondContact O-CG1 3.2Å; V69-V92 HydrophobicContact CB-CG1 3.9Å; V69-V92 HydrophobicContact CG2-CG1 3.65Å; A87-V92 HydrophobicContact CB-CB 4.02Å; A87-V92 HydrophobicContact CB-CG1 4.09Å; A87-V92 PolarHBondContact O-N 3.21Å; L90-V92 VanDerWaalsContact C-N 3.33Å; L90-V92 HydrophobicContact CB-CG2 4.04Å; L90-V92 PolarHBondContact O-N 2.88Å; V92-W188 HydrophobicContact CG2-CH2 3.53Å; V92-W188 HydrophobicContact CG2-CZ2 4.2Å |
| 93 | S | 91.1 | Very high | 90.6 | Very high | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.4 | 168.3 | 41.1 | 0 | 0 | 0 | 0 | 110.9 | V69 | V69-S93 PolarHBondContact N-O 3.08Å |
| 94 | V | 92.9 | Very high | 90.6 | Very high | 42 Ų | 42 | 66.8 Ų | 66.8 | 26% | 0.255 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.8 | 170.3 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | V69 I71 A87 | V69-V94 CarbonylContact O-C 3.59Å; V69-V94 VanDerWaalsContact O-CA 3.3Å; V69-V94 WeakPolarHBondContact O-CA 3.1Å; I71-V94 HydrophobicContact CD1-CG1 3.87Å; I71-V94 HydrophobicContact CG1-CG1 4.08Å; A87-V94 HydrophobicContact CB-CG2 3.47Å; A87-V94 VanDerWaalsContact CB-CG2 3.47Å |
| 95 | V | 93.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 61.2 Ų | 61.2 | 16% | 0.164 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 158 | -172.7 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | V68 V69 Y70 E100 | V68-V95 HydrophobicContact CG1-CB 4.42Å; V68-V95 HydrophobicContact CG1-CG2 3.37Å; V69-V95 PolarHBondContact O-N 3.01Å; Y70-V95 WeakPolarHBondContact CD2-O 3.46Å; V95-E100 HydrophobicContact CG1-CB 3.71Å; V95-E100 VanDerWaalsContact CG1-OE2 3.28Å; V95-E100 WeakPolarHBondContact CG1-OE2 3.38Å |
| 96 | E | 89 | Confident | 90.6 | Very high | 168 Ų | 168 | 58.1 Ų | 58.1 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -99.8 | -15.2 | -175.7 | -56.6 | -161.6 | 154.6 | 0 | 0 | 114.2 | Y70 | Y70-E96 VanDerWaalsContact CE2-O 3.27Å; Y70-E96 WeakPolarHBondContact CE2-O 3.37Å |
| 97 | S | 87.6 | Confident | 90.5 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | trans | -103.7 | 138.7 | 168.6 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | S99 | S97-S99 PolarHBondContact O-N 3.31Å; S97-S99 PolarHBondContact OG-N 2.94Å; S97-S99 VanDerWaalsContact OG-N 3.16Å; S97-S99 PolarHBondContact OG-OG 2.99Å | ||
| 98 | P | 89.1 | Confident | 90.4 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -64.8 | -27.7 | 167.4 | 27.3 | -33.5 | 0 | 0 | 0 | 112.3 | Y70 E100 A101 I104 Q171 | Y70-P98 HydrophobicContact CD1-CB 3.79Å; Y70-P98 HydrophobicContact CE1-CB 3.91Å; Y70-P98 HydrophobicContact CE1-CG 4.33Å; Y70-P98 HydrophobicContact CG-CB 4.22Å; P98-E100 PolarHBondContact O-N 3.27Å; P98-E100 VanDerWaalsContact O-N 3.1Å; P98-A101 PolarHBondContact O-N 2.88Å; P98-I104 HydrophobicContact CB-CD1 3.81Å; P98-Q171 PolarHBondContact O-NE2 3.21Å |
| 99 | S | 85.8 | Confident | 90.1 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -66.8 | -13.4 | -175.7 | 62.9 | 0 | 0 | 0 | 0 | 115 | S97 | S97-S99 PolarHBondContact O-N 3.31Å; S97-S99 PolarHBondContact OG-N 2.94Å; S97-S99 VanDerWaalsContact OG-N 3.16Å; S97-S99 PolarHBondContact OG-OG 2.99Å |
| 100 | E | 87.1 | Confident | 89.7 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -108.9 | -3.2 | -175.9 | -72.5 | 165.2 | -145.8 | 0 | 0 | 112.7 | V68 V95 P98 | V68-E100 WeakPolarHBondContact CG1-O 3.21Å; V95-E100 HydrophobicContact CG1-CB 3.71Å; V95-E100 VanDerWaalsContact CG1-OE2 3.28Å; V95-E100 WeakPolarHBondContact CG1-OE2 3.38Å; P98-E100 PolarHBondContact O-N 3.27Å; P98-E100 VanDerWaalsContact O-N 3.1Å |
| 101 | A | 89.9 | Confident | 89.1 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | trans | -99.2 | 134.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y70 P98 H103 Q171 | Y70-A101 VanDerWaalsContact CB-CB 3.49Å; P98-A101 PolarHBondContact O-N 2.88Å; A101-H103 VanDerWaalsContact C-N 3.29Å; A101-Q171 PolarHBondContact O-NE2 2.83Å | ||
| 102 | T | 88.9 | Confident | 88.6 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -69.4 | -28.5 | 167.9 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | V68 W172 | V68-T102 HydrophobicContact CB-CG2 4.29Å; V68-T102 HydrophobicContact CG2-CG2 4.45Å; V68-T102 PolarHBondContact N-OG1 2.87Å; V68-T102 PolarHBondContact O-N 3.38Å; V68-T102 PolarHBondContact O-OG1 3.25Å; T102-W172 PolarHBondContact O-N 3.37Å |
| 103 | H | 92.5 | Very high | 87.8 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128.7 | -175.9 | -63.6 | 74.4 | 0 | 0 | 0 | 110.4 | V68 V69 Y70 A101 W172 I174 W178 | V68-H103 PolarHBondContact O-N 2.96Å; V69-H103 WeakPolarHBondContact CA-O 3.31Å; V69-H103 HydrophobicContact CG2-CB 4.31Å; Y70-H103 PolarHBondContact N-O 3.37Å; A101-H103 VanDerWaalsContact C-N 3.29Å; H103-W172 WeakPolarHBondContact CA-O 3.42Å; H103-W172 AromaticContact CD2-CD1 3.99Å; H103-W172 AromaticContact CD2-CG 3.94Å; H103-W172 AromaticContact CE1-CD1 3.85Å; H103-W172 AromaticContact NE2-CD1 3.65Å; H103-W172 AromaticContact NE2-CG 3.93Å; H103-I174 HydrophobicContact CB-CD1 4.23Å; H103-I174 HydrophobicContact CB-CG1 4.43Å; H103-W178 AromaticContact CD2-CH2 3.83Å; H103-W178 AromaticContact CD2-CZ2 3.86Å; H103-W178 AromaticContact NE2-CH2 3.86Å; H103-W178 AromaticContact NE2-CZ2 3.65Å |
| 104 | I | 92.8 | Very high | 86.8 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123 | 169.4 | -63 | -176.5 | 0 | 0 | 0 | 108.6 | Y70 P98 H106 Q171 W172 I174 | Y70-I104 HydrophobicContact CD1-CD1 4.38Å; Y70-I104 HydrophobicContact CD1-CG1 4.12Å; Y70-I104 HydrophobicContact CD1-CG2 3.98Å; Y70-I104 WeakPolarHBondContact O-CA 3.31Å; P98-I104 HydrophobicContact CB-CD1 3.81Å; I104-H106 VanDerWaalsContact CG2-NE2 3.29Å; I104-H106 WeakPolarHBondContact CG2-NE2 3.48Å; I104-Q171 VanDerWaalsContact CD1-CD 3.4Å; I104-Q171 HydrophobicContact CD1-CG 4.19Å; I104-Q171 VanDerWaalsContact CD1-OE1 3.28Å; I104-Q171 HydrophobicContact CG1-CG 4.03Å; I104-W172 PolarHBondContact N-O 3.34Å; I104-I174 PolarHBondContact O-N 2.79Å |
| 105 | L | 94.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.3 | 175.7 | -61 | -178.9 | 0 | 0 | 0 | 111.8 | V69 Y70 S72 L83 I174 W178 L179 | V69-L105 HydrophobicContact CG1-CD1 3.53Å; V69-L105 HydrophobicContact CG1-CG 3.85Å; Y70-L105 PolarHBondContact O-N 3.2Å; S72-L105 WeakPolarHBondContact CB-O 3.46Å; S72-L105 PolarHBondContact N-O 2.92Å; L83-L105 HydrophobicContact CD2-CD1 4.35Å; L105-I174 WeakPolarHBondContact CA-O 3.35Å; L105-I174 HydrophobicContact CD2-CD1 3.56Å; L105-I174 HydrophobicContact CD2-CG1 3.93Å; L105-W178 HydrophobicContact CD2-CE3 4.09Å; L105-L179 HydrophobicContact CD1-CB 3.81Å; L105-L179 HydrophobicContact CD1-CD2 3.65Å; L105-L179 HydrophobicContact CD1-CG 4.34Å |
| 106 | H | 93.3 | Very high | 84.8 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -179.4 | 173.6 | -73.9 | -104.4 | 0 | 0 | 0 | 112.5 | I104 I174 A176 I196 | I104-H106 VanDerWaalsContact CG2-NE2 3.29Å; I104-H106 WeakPolarHBondContact CG2-NE2 3.48Å; H106-I174 PolarHBondContact N-O 2.82Å; H106-A176 WeakPolarHBondContact O-CB 3.44Å; H106-A176 PolarHBondContact O-N 3.39Å; H106-A176 VanDerWaalsContact O-N 3.14Å; H106-I196 HydrophobicContact CB-CD1 4.32Å; H106-I196 HydrophobicContact CB-CG2 4.15Å; H106-I196 VanDerWaalsContact CD2-CD1 3.43Å; H106-I196 WeakPolarHBondContact CD2-CD1 3.41Å |
| 107 | Q | 91.4 | Very high | 84.2 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -81 | 141.2 | 178.9 | -175 | 178.4 | 0.7 | 0 | 0 | 111.5 | D175 | Q107-D175 VanDerWaalsContact C-OD1 3.26Š|
| 108 | P | 90.1 | Very high | 83.5 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 10% | 0.104 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 150.2 | 177.9 | -30.9 | 38.1 | 0 | 0 | 0 | 115.2 | L79 W112 D175 A176 | L79-P108 VanDerWaalsContact CD2-CD 3.44Å; L79-P108 HydrophobicContact CD2-CG 3.79Å; P108-W112 HydrophobicContact CB-CB 4.2Å; P108-W112 HydrophobicContact CB-CD2 4.18Å; P108-W112 HydrophobicContact CB-CE3 3.62Å; P108-W112 HydrophobicContact CB-CG 4.44Å; P108-W112 HydrophobicContact CB-CZ3 4.36Å; P108-W112 HydrophobicContact CG-CE3 3.76Å; P108-W112 HydrophobicContact CG-CZ3 3.99Å; P108-D175 WeakPolarHBondContact CA-OD1 3.44Å; P108-D175 VanDerWaalsContact N-OD1 3.1Å; P108-A176 HydrophobicContact CG-CB 4.14Å |
| 109 | P | 86 | Confident | 83 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -47.6 | 137.9 | 169.4 | -29.2 | 35.1 | 0 | 0 | 0 | 111.8 | N111 W112 D175 | P109-N111 VanDerWaalsContact CB-OD1 3.25Å; P109-N111 WeakPolarHBondContact CB-OD1 3.39Å; P109-N111 PolarHBondContact O-N 2.77Å; P109-W112 WeakPolarHBondContact O-CB 3.26Å; P109-W112 PolarHBondContact O-N 3.44Å; P109-D175 WeakPolarHBondContact CD-OD2 3.46Å |
| 110 | P | 81.4 | Confident | 82.4 | Confident | 144 Ų | 144 | 62.2 Ų | 62.2 | 94% | 0.935 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -10.5 | -175.9 | -26.4 | 35.2 | 0 | 0 | 0 | 115.9 | ||
| 111 | N | 76.4 | Confident | 81.7 | Confident | 132 Ų | 132 | 60.8 Ų | 60.8 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 2.6 | 178.1 | 64.6 | -70.1 | 0 | 0 | 0 | 114 | P109 | P109-N111 VanDerWaalsContact CB-OD1 3.25Å; P109-N111 WeakPolarHBondContact CB-OD1 3.39Å; P109-N111 PolarHBondContact O-N 2.77Å |
| 112 | W | 79.4 | Confident | 80.8 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 19% | 0.193 | 34% | 0.343 | C | S | . | . | trans | -73.9 | 126.2 | 179.3 | -179.5 | 58.8 | 0 | 0 | 0 | 111.4 | P108 P109 G114 D115 R177 L180 Y181 | P108-W112 HydrophobicContact CB-CB 4.2Å; P108-W112 HydrophobicContact CB-CD2 4.18Å; P108-W112 HydrophobicContact CB-CE3 3.62Å; P108-W112 HydrophobicContact CB-CG 4.44Å; P108-W112 HydrophobicContact CB-CZ3 4.36Å; P108-W112 HydrophobicContact CG-CE3 3.76Å; P108-W112 HydrophobicContact CG-CZ3 3.99Å; P109-W112 WeakPolarHBondContact O-CB 3.26Å; P109-W112 PolarHBondContact O-N 3.44Å; W112-G114 VanDerWaalsContact C-N 3.28Å; W112-G114 VanDerWaalsContact CZ2-C 3.46Å; W112-G114 PolarHBondContact O-N 2.87Å; W112-D115 PolarHBondContact NE1-O 3.18Å; W112-D115 VanDerWaalsContact NE1-O 3.09Å; W112-R177 VanDerWaalsContact CD1-CD 3.45Å; W112-R177 HydrophobicContact CD2-CG 4Å; W112-R177 HydrophobicContact CE3-CG 4.49Å; W112-R177 HydrophobicContact CG-CG 4.32Å; W112-R177 HydrophobicContact CZ2-CG 4.12Å; W112-L180 HydrophobicContact CH2-CD1 3.58Å; W112-L180 HydrophobicContact CZ2-CD1 4.33Å; W112-L180 HydrophobicContact CZ3-CD1 4.29Å; W112-Y181 HydrophobicContact CZ2-CE1 4.18Å; W112-Y181 AromaticContact NE1-CZ 3.95Å; W112-Y181 PolarHBondContact NE1-OH 3.39Å | ||
| 113 | P | 71.4 | Confident | 80.2 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | trans | -75.7 | -9.9 | -174.6 | 29.9 | -37.2 | 0 | 0 | 0 | 114.7 | D118 | P113-D118 HydrophobicContact CG-CB 4.08Š| ||
| 114 | G | 70.5 | Confident | 80.1 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 93.8 | 7.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W112 | W112-G114 VanDerWaalsContact C-N 3.28Å; W112-G114 VanDerWaalsContact CZ2-C 3.46Å; W112-G114 PolarHBondContact O-N 2.87Å |
| 115 | D | 70.9 | Confident | 79.9 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -134.7 | 155.5 | -179.8 | -166.6 | -3.4 | 0 | 0 | 0 | 108.9 | W112 R117 Y181 | W112-D115 PolarHBondContact NE1-O 3.18Å; W112-D115 VanDerWaalsContact NE1-O 3.09Å; D115-R117 WeakPolarHBondContact OD2-CD 3.5Å; D115-Y181 PolarHBondContact O-OH 2.89Å |
| 116 | S | 74.1 | Confident | 79.6 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -78.2 | -28.3 | -177.7 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | D118 D119 F120 E184 | S116-D118 VanDerWaalsContact C-N 3.33Å; S116-D118 PolarHBondContact O-N 3.18Å; S116-D119 PolarHBondContact O-N 3.42Å; S116-D119 VanDerWaalsContact O-N 3.12Å; S116-F120 VanDerWaalsContact CB-CE2 3.43Å; S116-F120 WeakPolarHBondContact O-CD2 3.4Å; S116-F120 PolarHBondContact O-N 3.42Å; S116-F120 VanDerWaalsContact O-N 3.13Å; S116-F120 VanDerWaalsContact OG-CE2 3.32Å; S116-F120 WeakPolarHBondContact OG-CE2 3.38Å; S116-E184 WeakPolarHBondContact CB-OE1 3.36Å; S116-E184 WeakPolarHBondContact CB-OE2 3.3Å; S116-E184 PolarHBondContact OG-OE1 3.4Å; S116-E184 PolarHBondContact OG-OE2 2.78Å |
| 117 | R | 75.6 | Confident | 79.4 | Confident | 172 Ų | 172 | 66.9 Ų | 66.9 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -39 | -167.3 | -58.5 | 174.8 | 77.7 | 110.7 | 5.8 | 114.6 | D115 L121 | D115-R117 WeakPolarHBondContact OD2-CD 3.5Å; R117-L121 WeakPolarHBondContact O-CG 3.35Å; R117-L121 PolarHBondContact O-N 2.87Å |
| 118 | D | 72.2 | Confident | 79 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -29.1 | -177.2 | -69.6 | -22.3 | 0 | 0 | 0 | 112.5 | P113 S116 L121 | P113-D118 HydrophobicContact CG-CB 4.08Å; S116-D118 VanDerWaalsContact C-N 3.33Å; S116-D118 PolarHBondContact O-N 3.18Å; D118-L121 PolarHBondContact O-N 2.82Å |
| 119 | D | 79.1 | Confident | 78.5 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 10% | 0.096 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -38.7 | 171.9 | -79.4 | -29.9 | 0 | 0 | 0 | 110.6 | S116 L121 V122 Y141 R177 Y181 | S116-D119 PolarHBondContact O-N 3.42Å; S116-D119 VanDerWaalsContact O-N 3.12Å; D119-L121 PolarHBondContact O-N 2.88Å; D119-V122 WeakPolarHBondContact O-CB 3.39Å; D119-V122 WeakPolarHBondContact O-CG2 3.44Å; D119-V122 PolarHBondContact O-N 3.18Å; D119-V122 VanDerWaalsContact O-N 3.08Å; D119-Y141 HydrophobicContact CB-CD2 3.96Å; D119-Y141 HydrophobicContact CB-CG 4.09Å; D119-R177 IonicContact OD1-NH1 3.96Å; D119-R177 PolarHBondContact OD1-NH1 3.47Å; D119-R177 WeakPolarHBondContact OD2-CD 3.39Å; D119-R177 IonicContact OD2-CZ 2.93Å; D119-R177 IonicContact OD2-NE 2.71Å; D119-R177 IonicContact OD2-NH1 3.23Å; D119-R177 PolarHBondContact OD2-NH1 3.23Å; D119-Y181 HydrophobicContact CB-CE2 4.34Å; D119-Y181 PolarHBondContact OD2-OH 2.94Å |
| 120 | F | 74.1 | Confident | 78.3 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 28% | 0.281 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.5 | 173.9 | -67.1 | -48.1 | 0 | 0 | 0 | 113.9 | S116 V122 Y141 M185 | S116-F120 VanDerWaalsContact CB-CE2 3.43Å; S116-F120 WeakPolarHBondContact O-CD2 3.4Å; S116-F120 PolarHBondContact O-N 3.42Å; S116-F120 VanDerWaalsContact O-N 3.13Å; S116-F120 VanDerWaalsContact OG-CE2 3.32Å; S116-F120 WeakPolarHBondContact OG-CE2 3.38Å; F120-V122 VanDerWaalsContact C-N 3.26Å; F120-V122 PolarHBondContact O-N 2.94Å; F120-Y141 VanDerWaalsContact CE1-O 3.23Å; F120-Y141 WeakPolarHBondContact CE1-O 3.24Å; F120-M185 HydrophobicContact CE2-SD 4.48Å; F120-M185 HydrophobicContact CZ-CE 4.25Å; F120-M185 HydrophobicContact CZ-CG 4.35Å; F120-M185 HydrophobicContact CZ-SD 3.99Å |
| 121 | L | 71.6 | Confident | 78.2 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -7.8 | 174.7 | -73 | 170.7 | 0 | 0 | 0 | 113.2 | R117 D118 D119 Q123 I1394 | R117-L121 WeakPolarHBondContact O-CG 3.35Å; R117-L121 PolarHBondContact O-N 2.87Å; D118-L121 PolarHBondContact O-N 2.82Å; D119-L121 PolarHBondContact O-N 2.88Å; L121-Q123 PolarHBondContact O-N 3.39Å; L121-I1394 HydrophobicContact CD2-CD1 3.75Å |
| 122 | V | 70.2 | Confident | 78.3 | Confident | 60 Ų | 60 | 61 Ų | 61 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | trans | -75.7 | 92.7 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | D119 F120 R124 | D119-V122 WeakPolarHBondContact O-CB 3.39Å; D119-V122 WeakPolarHBondContact O-CG2 3.44Å; D119-V122 PolarHBondContact O-N 3.18Å; D119-V122 VanDerWaalsContact O-N 3.08Å; F120-V122 VanDerWaalsContact C-N 3.26Å; F120-V122 PolarHBondContact O-N 2.94Å; V122-R124 HydrophobicContact CG1-CB 4.42Å; V122-R124 HydrophobicContact CG1-CG 4.42Å; V122-R124 PolarHBondContact O-N 3.25Å | ||
| 123 | Q | 77.1 | Confident | 78.4 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | trans | -69.8 | 72.1 | 176.8 | -64.7 | -177.6 | 11 | 0 | 0 | 112.5 | L121 P209 | L121-Q123 PolarHBondContact O-N 3.39Å; Q123-P209 WeakPolarHBondContact O-CD 3.3Å | ||
| 124 | R | 89.4 | Confident | 79 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | trans | -129.9 | 154.3 | 167.6 | -75.8 | -172.9 | 168.3 | -82.8 | -13.4 | 109.9 | V122 L140 Y207 E211 | V122-R124 HydrophobicContact CG1-CB 4.42Å; V122-R124 HydrophobicContact CG1-CG 4.42Å; V122-R124 PolarHBondContact O-N 3.25Å; R124-L140 HydrophobicContact CB-CB 4.46Å; R124-L140 HydrophobicContact CB-CD2 4.37Å; R124-L140 PolarHBondContact O-N 2.82Å; R124-Y207 VanDerWaalsContact CA-O 3.28Å; R124-Y207 WeakPolarHBondContact CA-O 3.17Å; R124-E211 IonicContact CZ-OE1 3.88Å; R124-E211 IonicContact CZ-OE2 2.97Å; R124-E211 IonicContact NH1-OE1 2.67Å; R124-E211 IonicContact NH1-OE2 3.23Å; R124-E211 PolarHBondContact NH1-OE2 3.26Å; R124-E211 IonicContact NH2-OE1 3.36Å; R124-E211 PolarHBondContact NH2-OE1 3.11Å; R124-E211 IonicContact NH2-OE2 3.09Å; R124-E211 PolarHBondContact NH2-OE2 3.37Å | ||
| 125 | F | 90.1 | Very high | 79.8 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 161.7 | 179.8 | 54.6 | -97.2 | 0 | 0 | 0 | 112.6 | L137 H138 W139 T206 Y207 P209 F212 | F125-L137 HydrophobicContact CD2-CB 4.32Å; F125-L137 HydrophobicContact CD2-CD1 4.04Å; F125-L137 HydrophobicContact CD2-CD2 3.74Å; F125-L137 HydrophobicContact CD2-CG 4.25Å; F125-L137 HydrophobicContact CE2-CD1 3.91Å; F125-L137 HydrophobicContact CE2-CD2 3.81Å; F125-L137 HydrophobicContact CE2-CG 4.42Å; F125-L137 HydrophobicContact CG-CD1 4.46Å; F125-L137 HydrophobicContact CZ-CD1 4.23Å; F125-H138 CarbonylContact C-O 3.6Å; F125-H138 WeakPolarHBondContact CA-O 3.43Å; F125-H138 WeakPolarHBondContact CB-O 3.2Å; F125-W139 HydrophobicContact CB-CD2 4.45Å; F125-W139 HydrophobicContact CB-CE3 4.11Å; F125-W139 HydrophobicContact CD1-CE3 4.15Å; F125-W139 HydrophobicContact CD1-CH2 4.1Å; F125-W139 AromaticContact CD1-CZ3 3.69Å; F125-W139 HydrophobicContact CD1-CZ3 3.69Å; F125-W139 HydrophobicContact CE1-CZ3 4.43Å; F125-T206 CarbonylContact O-C 3.58Å; F125-T206 WeakPolarHBondContact O-CA 3.28Å; F125-Y207 PolarHBondContact N-O 2.72Å; F125-Y207 PolarHBondContact O-N 2.99Å; F125-P209 HydrophobicContact CE1-CG 4.23Å; F125-F212 HydrophobicContact CE2-CB 3.91Å; F125-F212 HydrophobicContact CE2-CD1 4.34Å; F125-F212 AromaticContact CE2-CD2 3.65Å; F125-F212 HydrophobicContact CE2-CD2 3.65Å; F125-F212 HydrophobicContact CE2-CE2 4.27Å; F125-F212 AromaticContact CE2-CG 3.69Å; F125-F212 HydrophobicContact CE2-CG 3.69Å; F125-F212 HydrophobicContact CZ-CB 3.53Å; F125-F212 HydrophobicContact CZ-CD1 4.02Å; F125-F212 HydrophobicContact CZ-CD2 4.07Å; F125-F212 AromaticContact CZ-CG 3.6Å; F125-F212 HydrophobicContact CZ-CG 3.6Å |
| 126 | R | 88.1 | Confident | 80.6 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 4% | 0.038 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.4 | 171.5 | -59.2 | 171.2 | -168.6 | -90.1 | -7.9 | 109.3 | L128 L137 H138 L140 E192 D193 R204 T206 | R126-L128 HydrophobicContact CB-CD2 4.4Å; R126-L137 WeakPolarHBondContact O-CA 3.23Å; R126-H138 HydrophobicContact CB-CB 4.47Å; R126-H138 PolarHBondContact N-O 3.38Å; R126-H138 PolarHBondContact O-N 2.86Å; R126-L140 HydrophobicContact CG-CD1 4.17Å; R126-E192 IonicContact CZ-OE2 3.91Å; R126-E192 IonicContact NE-OE2 3.7Å; R126-E192 IonicContact NH1-OE2 3.27Å; R126-E192 PolarHBondContact NH1-OE2 2.88Å; R126-E192 PolarHBondContact NH2-O 3.35Å; R126-D193 IonicContact CZ-OD1 3.53Å; R126-D193 IonicContact NE-OD1 3.54Å; R126-D193 PolarHBondContact NE-OD1 3.28Å; R126-D193 IonicContact NH2-OD1 2.61Å; R126-D193 PolarHBondContact NH2-OD1 2.9Å; R126-R204 PolarHBondContact NH1-O 3.43Å; R126-R204 VanDerWaalsContact NH1-O 3.15Å; R126-T206 HydrophobicContact CG-CG2 3.98Å |
| 127 | V | 87.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.2 | 164.1 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | V135 L137 W157 T161 Y207 F212 | V127-V135 HydrophobicContact CG1-CB 4.25Å; V127-L137 HydrophobicContact CG2-CD2 3.84Å; V127-W157 HydrophobicContact CG2-CH2 4.27Å; V127-W157 HydrophobicContact CG2-CZ2 3.83Å; V127-T161 HydrophobicContact CG1-CG2 4.16Å; V127-Y207 HydrophobicContact CG2-CD2 4.28Å; V127-Y207 HydrophobicContact CG2-CE2 3.97Å; V127-F212 HydrophobicContact CG2-CD2 4.43Å; V127-F212 HydrophobicContact CG2-CE2 4.01Å |
| 128 | L | 83.3 | Confident | 82 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -36 | 178.1 | -64.1 | -170.3 | 0 | 0 | 0 | 112.8 | R126 L136 H138 T147 | R126-L128 HydrophobicContact CB-CD2 4.4Å; L128-L136 PolarHBondContact N-O 2.81Å; L128-H138 HydrophobicContact CD1-CB 3.77Å; L128-H138 HydrophobicContact CD2-CB 4.1Å; L128-H138 HydrophobicContact CG-CB 3.78Å; L128-T147 HydrophobicContact CD1-CG2 3.98Å |
| 129 | F | 79.6 | Confident | 82.8 | Confident | 89 Ų | 89 | 49.5 Ų | 49.5 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 157.7 | -173.5 | -179.6 | -113.7 | 0 | 0 | 0 | 109.9 | E131 V135 L136 W149 | F129-E131 HydrophobicContact CE1-CB 3.89Å; F129-E131 HydrophobicContact CZ-CB 4.25Å; F129-V135 WeakPolarHBondContact O-CA 3.32Å; F129-L136 HydrophobicContact CB-CB 4.03Å; F129-L136 HydrophobicContact CB-CD2 4.2Å; F129-L136 PolarHBondContact O-N 3.33Å; F129-W149 AromaticContact CD1-CH2 3.65Å; F129-W149 HydrophobicContact CD1-CH2 3.65Å; F129-W149 HydrophobicContact CD1-CZ2 4.13Å; F129-W149 AromaticContact CE1-CH2 3.84Å; F129-W149 HydrophobicContact CE1-CH2 3.84Å; F129-W149 HydrophobicContact CE1-CZ2 4.38Å |
| 130 | H | 82.3 | Confident | 83.3 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 143.7 | 173.5 | 64.4 | 112 | 0 | 0 | 0 | 111 | G134 V135 W157 T161 | H130-G134 CarbonylContact C-O 3.59Å; H130-G134 WeakPolarHBondContact CA-O 3.45Å; H130-V135 HydrophobicContact CB-CG1 3.93Å; H130-W157 HydrophobicContact CB-CB 4.13Å; H130-W157 HydrophobicContact CB-CG 4.36Å; H130-W157 AromaticContact CD2-CD1 3.93Å; H130-W157 AromaticContact CG-CD1 3.77Å; H130-T161 PolarHBondContact CD2-OG1 3.48Å; H130-T161 VanDerWaalsContact CD2-OG1 3.3Å |
| 131 | E | 78.2 | Confident | 84 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 62% | 0.621 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 106.5 | 179.2 | -171 | 171.3 | -173.5 | 0 | 0 | 109 | F129 R133 G134 W149 | F129-E131 HydrophobicContact CE1-CB 3.89Å; F129-E131 HydrophobicContact CZ-CB 4.25Å; E131-R133 PolarHBondContact O-N 2.69Å; E131-R133 VanDerWaalsContact O-N 3.08Å; E131-G134 PolarHBondContact N-O 2.88Å; E131-G134 PolarHBondContact O-N 3.43Å; E131-W149 HydrophobicContact CB-CH2 4.28Å |
| 132 | G | 80.2 | Confident | 84.7 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -111.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E156 | G132-E156 WeakPolarHBondContact CA-OE1 2.97Å; G132-E156 WeakPolarHBondContact O-CG 3.36Å |
| 133 | R | 80.5 | Confident | 85.5 | Confident | 165 Ų | 165 | 41.5 Ų | 41.5 | 62% | 0.623 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 2.7 | 177.5 | -57.3 | -175.1 | -166.9 | 167.9 | 3.7 | 113.8 | E131 L153 | E131-R133 PolarHBondContact O-N 2.69Å; E131-R133 VanDerWaalsContact O-N 3.08Å; R133-L153 WeakPolarHBondContact O-CD1 3.35Å |
| 134 | G | 83.3 | Confident | 85.9 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | H130 E131 Y150 | H130-G134 CarbonylContact C-O 3.59Å; H130-G134 WeakPolarHBondContact CA-O 3.45Å; E131-G134 PolarHBondContact N-O 2.88Å; E131-G134 PolarHBondContact O-N 3.43Å; G134-Y150 WeakPolarHBondContact CA-O 3.31Å |
| 135 | V | 87.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.1 | 164.2 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | V127 F129 H130 L137 Y150 L153 W157 F212 | V127-V135 HydrophobicContact CG1-CB 4.25Å; F129-V135 WeakPolarHBondContact O-CA 3.32Å; H130-V135 HydrophobicContact CB-CG1 3.93Å; V135-L137 HydrophobicContact CB-CD2 4.3Å; V135-L137 HydrophobicContact CG2-CD2 3.55Å; V135-L137 HydrophobicContact CG2-CG 4.01Å; V135-Y150 HydrophobicContact CG2-CD1 4.25Å; V135-Y150 PolarHBondContact N-O 3.15Å; V135-Y150 PolarHBondContact O-N 3.25Å; V135-L153 HydrophobicContact CG1-CD1 4.1Å; V135-L153 HydrophobicContact CG1-CD2 4.03Å; V135-L153 HydrophobicContact CG2-CD1 3.95Å; V135-W157 HydrophobicContact CG1-CB 3.85Å; V135-W157 HydrophobicContact CG1-CD2 4.23Å; V135-W157 HydrophobicContact CG1-CG 3.95Å; V135-F212 HydrophobicContact CG2-CE2 4.28Å; V135-F212 HydrophobicContact CG2-CZ 3.76Å |
| 136 | L | 87.5 | Confident | 85.3 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114.5 | 176.9 | -175.6 | 62.7 | 0 | 0 | 0 | 109.3 | L128 F129 T147 W149 | L128-L136 PolarHBondContact N-O 2.81Å; F129-L136 HydrophobicContact CB-CB 4.03Å; F129-L136 HydrophobicContact CB-CD2 4.2Å; F129-L136 PolarHBondContact O-N 3.33Å; L136-T147 HydrophobicContact CD1-CG2 3.47Å; L136-T147 VanDerWaalsContact CD1-CG2 3.47Å; L136-T147 HydrophobicContact CD2-CG2 4.13Å; L136-T147 HydrophobicContact CG-CG2 3.48Å; L136-T147 VanDerWaalsContact CG-CG2 3.48Å; L136-W149 HydrophobicContact CB-CD2 4.4Å; L136-W149 HydrophobicContact CB-CE3 4.4Å; L136-W149 HydrophobicContact CB-CZ3 4.49Å; L136-W149 HydrophobicContact CD1-CD2 4.05Å; L136-W149 HydrophobicContact CD1-CG 3.99Å |
| 137 | L | 89.6 | Confident | 85.3 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.4 | -171.9 | -56 | -173.8 | 0 | 0 | 0 | 111.7 | F125 R126 V127 V135 T147 T148 Y150 F212 | F125-L137 HydrophobicContact CD2-CB 4.32Å; F125-L137 HydrophobicContact CD2-CD1 4.04Å; F125-L137 HydrophobicContact CD2-CD2 3.74Å; F125-L137 HydrophobicContact CD2-CG 4.25Å; F125-L137 HydrophobicContact CE2-CD1 3.91Å; F125-L137 HydrophobicContact CE2-CD2 3.81Å; F125-L137 HydrophobicContact CE2-CG 4.42Å; F125-L137 HydrophobicContact CG-CD1 4.46Å; F125-L137 HydrophobicContact CZ-CD1 4.23Å; R126-L137 WeakPolarHBondContact O-CA 3.23Å; V127-L137 HydrophobicContact CG2-CD2 3.84Å; V135-L137 HydrophobicContact CB-CD2 4.3Å; V135-L137 HydrophobicContact CG2-CD2 3.55Å; V135-L137 HydrophobicContact CG2-CG 4.01Å; L137-T147 CarbonylContact O-C 3.15Å; L137-T147 VanDerWaalsContact O-CA 3.32Å; L137-T147 WeakPolarHBondContact O-CA 3.27Å; L137-T147 VanDerWaalsContact O-CG2 3.3Å; L137-T147 WeakPolarHBondContact O-CG2 3.38Å; L137-T148 WeakPolarHBondContact CB-O 3.24Å; L137-T148 PolarHBondContact N-O 3.49Å; L137-T148 PolarHBondContact O-N 3.16Å; L137-Y150 HydrophobicContact CD1-CG 4.33Å; L137-F212 HydrophobicContact CD2-CE2 4.41Å |
| 138 | H | 89.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.7 | 170.9 | 172.6 | 74.8 | 0 | 0 | 0 | 110.3 | F125 R126 L128 S142 T147 V190 D193 | F125-H138 CarbonylContact C-O 3.6Å; F125-H138 WeakPolarHBondContact CA-O 3.43Å; F125-H138 WeakPolarHBondContact CB-O 3.2Å; R126-H138 HydrophobicContact CB-CB 4.47Å; R126-H138 PolarHBondContact N-O 3.38Å; R126-H138 PolarHBondContact O-N 2.86Å; L128-H138 HydrophobicContact CD1-CB 3.77Å; L128-H138 HydrophobicContact CD2-CB 4.1Å; L128-H138 HydrophobicContact CG-CB 3.78Å; H138-S142 PolarHBondContact CE1-O 2.6Å; H138-S142 VanDerWaalsContact CE1-O 3.27Å; H138-T147 HydrophobicContact CB-CG2 4.31Å; H138-V190 VanDerWaalsContact CE1-CG2 3.41Å; H138-V190 WeakPolarHBondContact CE1-CG2 3.47Å; H138-D193 IonicContact CD2-OD2 2.58Å; H138-D193 IonicContact CE1-OD2 2.57Å; H138-D193 IonicContact NE2-OD2 2.71Å; H138-D193 PolarHBondContact NE2-OD2 3.49Å |
| 139 | W | 90 | Very high | 85.5 | Confident | 83 Ų | 83 | 50.9 Ų | 50.9 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 131.1 | 178.2 | -64.5 | 101.4 | 0 | 0 | 0 | 111 | F125 S142 T148 | F125-W139 HydrophobicContact CB-CD2 4.45Å; F125-W139 HydrophobicContact CB-CE3 4.11Å; F125-W139 HydrophobicContact CD1-CE3 4.15Å; F125-W139 HydrophobicContact CD1-CH2 4.1Å; F125-W139 AromaticContact CD1-CZ3 3.69Å; F125-W139 HydrophobicContact CD1-CZ3 3.69Å; F125-W139 HydrophobicContact CE1-CZ3 4.43Å; W139-S142 VanDerWaalsContact O-CB 3.29Å; W139-S142 WeakPolarHBondContact O-CB 3.34Å; W139-S142 PolarHBondContact O-N 2.8Å; W139-S142 VanDerWaalsContact O-N 3.15Å; W139-S142 PolarHBondContact O-OG 3.05Å; W139-T148 PolarHBondContact NE1-OG1 3.19Å |
| 140 | L | 89.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 141.1 | -175.3 | -133.4 | 73 | 0 | 0 | 0 | 111.4 | R124 R126 S142 D193 T206 | R124-L140 HydrophobicContact CB-CB 4.46Å; R124-L140 HydrophobicContact CB-CD2 4.37Å; R124-L140 PolarHBondContact O-N 2.82Å; R126-L140 HydrophobicContact CG-CD1 4.17Å; L140-S142 PolarHBondContact O-N 2.94Å; L140-D193 WeakPolarHBondContact CD1-OD1 3.39Å; L140-T206 HydrophobicContact CD1-CG2 3.57Å; L140-T206 HydrophobicContact CD2-CG2 4.47Å |
| 141 | Y | 88.3 | Confident | 85.8 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 3.5 | -177.6 | -50.8 | -62.6 | 0 | 0 | 0 | 115.5 | D119 F120 M189 D193 F194 | D119-Y141 HydrophobicContact CB-CD2 3.96Å; D119-Y141 HydrophobicContact CB-CG 4.09Å; F120-Y141 VanDerWaalsContact CE1-O 3.23Å; F120-Y141 WeakPolarHBondContact CE1-O 3.24Å; Y141-M189 WeakPolarHBondContact O-CE 3.3Å; Y141-D193 HydrophobicContact CD1-CB 4.09Å; Y141-D193 HydrophobicContact CE1-CB 4.28Å; Y141-D193 VanDerWaalsContact CE1-O 3.22Å; Y141-D193 WeakPolarHBondContact CE1-O 3.29Å; Y141-D193 PolarHBondContact N-OD2 2.9Å; Y141-F194 HydrophobicContact CD1-CD1 4.45Å; Y141-F194 AromaticContact CD1-CE1 3.83Å; Y141-F194 HydrophobicContact CD1-CE1 3.83Å; Y141-F194 AromaticContact CD1-CZ 3.86Å; Y141-F194 HydrophobicContact CD1-CZ 3.86Å; Y141-F194 HydrophobicContact CE1-CE1 4.44Å |
| 142 | S | 87.5 | Confident | 85.7 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -87.8 | 156.8 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | H138 W139 L140 M189 | H138-S142 PolarHBondContact CE1-O 2.6Å; H138-S142 VanDerWaalsContact CE1-O 3.27Å; W139-S142 VanDerWaalsContact O-CB 3.29Å; W139-S142 WeakPolarHBondContact O-CB 3.34Å; W139-S142 PolarHBondContact O-N 2.8Å; W139-S142 VanDerWaalsContact O-N 3.15Å; W139-S142 PolarHBondContact O-OG 3.05Å; L140-S142 PolarHBondContact O-N 2.94Å; S142-M189 VanDerWaalsContact C-CE 3.47Å |
| 143 | P | 86.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 154.1 | 168.5 | -17.7 | 29.2 | 0 | 0 | 0 | 111.7 | S145 Y146 M185 E187 M189 | P143-S145 PolarHBondContact O-N 3.31Å; P143-S145 VanDerWaalsContact O-N 3.1Å; P143-Y146 HydrophobicContact CB-CD2 4.11Å; P143-Y146 HydrophobicContact CG-CD2 3.96Å; P143-Y146 HydrophobicContact CG-CE2 4Å; P143-Y146 WeakPolarHBondContact O-CB 3.38Å; P143-Y146 PolarHBondContact O-N 3.04Å; P143-M185 HydrophobicContact CG-CB 3.79Å; P143-M185 HydrophobicContact CG-CE 3.61Å; P143-M185 HydrophobicContact CG-CG 3.85Å; P143-E187 HydrophobicContact CB-CB 4.34Å; P143-E187 VanDerWaalsContact CB-CD 3.43Å; P143-E187 HydrophobicContact CB-CG 4.14Å; P143-E187 WeakPolarHBondContact CB-OE1 3.28Å; P143-M189 HydrophobicContact CB-SD 4.15Å; P143-M189 HydrophobicContact CG-CE 4.24Å; P143-M189 HydrophobicContact CG-SD 3.84Å |
| 144 | A | 84.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 13% | 0.132 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -59.6 | -25.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F5 Y146 T147 E187 V190 | F5-A144 HydrophobicContact CB-CB 3.84Å; A144-Y146 PolarHBondContact O-N 3.03Å; A144-T147 WeakPolarHBondContact O-CB 3.46Å; A144-T147 PolarHBondContact O-N 2.94Å; A144-T147 VanDerWaalsContact O-N 3.14Å; A144-T147 PolarHBondContact O-OG1 3.49Å; A144-E187 PolarHBondContact N-OE1 2.85Å; A144-V190 HydrophobicContact CB-CG2 3.96Å |
| 145 | S | 84.2 | Confident | 83.5 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -65 | -12.7 | 174.1 | 80.3 | 0 | 0 | 0 | 0 | 114.9 | K2 P143 E187 | K2-S145 PolarHBondContact NZ-OG 3.4Å; P143-S145 PolarHBondContact O-N 3.31Å; P143-S145 VanDerWaalsContact O-N 3.1Å; S145-E187 WeakPolarHBondContact CB-OE1 3.4Å; S145-E187 WeakPolarHBondContact CB-OE2 3.4Å; S145-E187 PolarHBondContact N-OE1 3.37Å; S145-E187 PolarHBondContact OG-OE2 2.94Å |
| 146 | Y | 84.7 | Confident | 82.6 | Confident | 123 Ų | 123 | 56.9 Ų | 56.9 | 48% | 0.482 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -89.3 | -1.8 | 175.4 | -75.1 | -107.6 | 0 | 0 | 0 | 112.9 | P143 A144 T148 M185 | P143-Y146 HydrophobicContact CB-CD2 4.11Å; P143-Y146 HydrophobicContact CG-CD2 3.96Å; P143-Y146 HydrophobicContact CG-CE2 4Å; P143-Y146 WeakPolarHBondContact O-CB 3.38Å; P143-Y146 PolarHBondContact O-N 3.04Å; A144-Y146 PolarHBondContact O-N 3.03Å; Y146-T148 PolarHBondContact O-N 3.37Å; Y146-T148 PolarHBondContact O-OG1 3.38Å; Y146-M185 HydrophobicContact CE2-CE 4.02Å |
| 147 | T | 87.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | trans | -59 | 121.6 | 178.6 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | L128 L136 L137 H138 A144 | L128-T147 HydrophobicContact CD1-CG2 3.98Å; L136-T147 HydrophobicContact CD1-CG2 3.47Å; L136-T147 VanDerWaalsContact CD1-CG2 3.47Å; L136-T147 HydrophobicContact CD2-CG2 4.13Å; L136-T147 HydrophobicContact CG-CG2 3.48Å; L136-T147 VanDerWaalsContact CG-CG2 3.48Å; L137-T147 CarbonylContact O-C 3.15Å; L137-T147 VanDerWaalsContact O-CA 3.32Å; L137-T147 WeakPolarHBondContact O-CA 3.27Å; L137-T147 VanDerWaalsContact O-CG2 3.3Å; L137-T147 WeakPolarHBondContact O-CG2 3.38Å; H138-T147 HydrophobicContact CB-CG2 4.31Å; A144-T147 WeakPolarHBondContact O-CB 3.46Å; A144-T147 PolarHBondContact O-N 2.94Å; A144-T147 VanDerWaalsContact O-N 3.14Å; A144-T147 PolarHBondContact O-OG1 3.49Å | ||
| 148 | T | 87.8 | Confident | 80.4 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.3 | -168.5 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | L137 W139 Y146 | L137-T148 WeakPolarHBondContact CB-O 3.24Å; L137-T148 PolarHBondContact N-O 3.49Å; L137-T148 PolarHBondContact O-N 3.16Å; W139-T148 PolarHBondContact NE1-OG1 3.19Å; Y146-T148 PolarHBondContact O-N 3.37Å; Y146-T148 PolarHBondContact O-OG1 3.38Å |
| 149 | W | 87.7 | Confident | 79.1 | Confident | 126 Ų | 126 | 63.7 Ų | 63.7 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.6 | 169.2 | -84.2 | 101.7 | 0 | 0 | 0 | 111.3 | F129 E131 L136 | F129-W149 AromaticContact CD1-CH2 3.65Å; F129-W149 HydrophobicContact CD1-CH2 3.65Å; F129-W149 HydrophobicContact CD1-CZ2 4.13Å; F129-W149 AromaticContact CE1-CH2 3.84Å; F129-W149 HydrophobicContact CE1-CH2 3.84Å; F129-W149 HydrophobicContact CE1-CZ2 4.38Å; E131-W149 HydrophobicContact CB-CH2 4.28Å; L136-W149 HydrophobicContact CB-CD2 4.4Å; L136-W149 HydrophobicContact CB-CE3 4.4Å; L136-W149 HydrophobicContact CB-CZ3 4.49Å; L136-W149 HydrophobicContact CD1-CD2 4.05Å; L136-W149 HydrophobicContact CD1-CG 3.99Å |
| 150 | Y | 85.1 | Confident | 77.5 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.6 | 172.4 | -178.2 | -98.7 | 0 | 0 | 0 | 110.2 | G134 V135 L137 L153 F212 | G134-Y150 WeakPolarHBondContact CA-O 3.31Å; V135-Y150 HydrophobicContact CG2-CD1 4.25Å; V135-Y150 PolarHBondContact N-O 3.15Å; V135-Y150 PolarHBondContact O-N 3.25Å; L137-Y150 HydrophobicContact CD1-CG 4.33Å; Y150-L153 HydrophobicContact CD1-CD1 3.51Å; Y150-L153 HydrophobicContact CE1-CD1 3.75Å; Y150-F212 AromaticContact CD1-CE1 3.95Å; Y150-F212 HydrophobicContact CD1-CE1 3.95Å; Y150-F212 HydrophobicContact CD1-CZ 4.31Å; Y150-F212 AromaticContact CE1-CE1 3.92Å; Y150-F212 HydrophobicContact CE1-CE1 3.92Å |
| 151 | T | 83.5 | Confident | 76.1 | Confident | 107 Ų | 107 | 67.7 Ų | 67.7 | 66% | 0.656 | 37% | 0.365 | S | S | * | . | trans | -108.8 | 6.6 | -173.4 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | L153 | T151-L153 VanDerWaalsContact C-N 3.28Å; T151-L153 PolarHBondContact O-N 2.91Å | ||
| 152 | G | 74.3 | Confident | 74.5 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 45% | 0.454 | 39% | 0.393 | S | S | . | . | trans | -80.5 | 8.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 153 | L | 73.1 | Confident | 72.6 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 6% | 0.063 | 42% | 0.417 | C | S | . | . | trans | -72.1 | 132.5 | -176.1 | -74.1 | 77.8 | 0 | 0 | 0 | 111.6 | R133 V135 Y150 T151 S155 W157 F212 | R133-L153 WeakPolarHBondContact O-CD1 3.35Å; V135-L153 HydrophobicContact CG1-CD1 4.1Å; V135-L153 HydrophobicContact CG1-CD2 4.03Å; V135-L153 HydrophobicContact CG2-CD1 3.95Å; Y150-L153 HydrophobicContact CD1-CD1 3.51Å; Y150-L153 HydrophobicContact CE1-CD1 3.75Å; T151-L153 VanDerWaalsContact C-N 3.28Å; T151-L153 PolarHBondContact O-N 2.91Å; L153-S155 VanDerWaalsContact C-N 3.33Å; L153-S155 VanDerWaalsContact CB-O 3.25Å; L153-S155 WeakPolarHBondContact CB-O 3.23Å; L153-W157 HydrophobicContact CD2-CB 3.98Å; L153-W157 HydrophobicContact CD2-CE3 3.98Å; L153-F212 HydrophobicContact CD1-CZ 4.2Å | ||
| 154 | Q | 64.2 | Low | 70.6 | Confident | 194 Ų | 194 | 79.6 Ų | 79.6 | 91% | 0.907 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -75.1 | -23.3 | 173.5 | -60 | -176.2 | 16.3 | 0 | 0 | 112.8 | ||
| 155 | S | 60.6 | Low | 68.8 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -129.2 | 156.1 | 179 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L153 | L153-S155 VanDerWaalsContact C-N 3.33Å; L153-S155 VanDerWaalsContact CB-O 3.25Å; L153-S155 WeakPolarHBondContact CB-O 3.23Å |
| 156 | E | 70 | Confident | 66.7 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | trans | -63.9 | 137 | 171.2 | 177.5 | 154.2 | -134.3 | 0 | 0 | 111 | G132 S158 | G132-E156 WeakPolarHBondContact CA-OE1 2.97Å; G132-E156 WeakPolarHBondContact O-CG 3.36Å; E156-S158 PolarHBondContact O-N 3.1Å; E156-S158 VanDerWaalsContact O-N 3.11Å; E156-S158 PolarHBondContact O-OG 3.2Å | ||
| 157 | W | 72.2 | Confident | 65 | Low | 6 Ų | 6 | 89.5 Ų | 89.5 | 2% | 0.023 | 47% | 0.474 | C | S | . | . | trans | -64.8 | 112.2 | -175.8 | -179.2 | -104.7 | 0 | 0 | 0 | 110.2 | V127 H130 V135 L153 T159 T161 Y207 F212 N216 | V127-W157 HydrophobicContact CG2-CH2 4.27Å; V127-W157 HydrophobicContact CG2-CZ2 3.83Å; H130-W157 HydrophobicContact CB-CB 4.13Å; H130-W157 HydrophobicContact CB-CG 4.36Å; H130-W157 AromaticContact CD2-CD1 3.93Å; H130-W157 AromaticContact CG-CD1 3.77Å; V135-W157 HydrophobicContact CG1-CB 3.85Å; V135-W157 HydrophobicContact CG1-CD2 4.23Å; V135-W157 HydrophobicContact CG1-CG 3.95Å; L153-W157 HydrophobicContact CD2-CB 3.98Å; L153-W157 HydrophobicContact CD2-CE3 3.98Å; W157-T159 PolarHBondContact NE1-O 3.21Å; W157-T161 PolarHBondContact NE1-OG1 2.81Å; W157-Y207 HydrophobicContact CH2-CE1 4.29Å; W157-Y207 HydrophobicContact CH2-CE2 4.48Å; W157-Y207 HydrophobicContact CZ2-CE2 4.35Å; W157-Y207 AromaticContact CZ2-CZ 3.99Å; W157-F212 AromaticContact CE3-CE2 3.91Å; W157-F212 HydrophobicContact CE3-CE2 3.91Å; W157-F212 HydrophobicContact CE3-CZ 4.34Å; W157-F212 AromaticContact CH2-CD2 3.66Å; W157-F212 HydrophobicContact CH2-CD2 3.66Å; W157-F212 AromaticContact CH2-CE2 3.53Å; W157-F212 HydrophobicContact CH2-CE2 3.53Å; W157-F212 HydrophobicContact CZ2-CE2 4.37Å; W157-F212 AromaticContact CZ3-CD2 3.67Å; W157-F212 HydrophobicContact CZ3-CD2 3.67Å; W157-F212 AromaticContact CZ3-CE2 3.26Å; W157-F212 HydrophobicContact CZ3-CE2 3.26Å; W157-F212 AromaticContact CZ3-CZ 3.99Å; W157-F212 HydrophobicContact CZ3-CZ 3.99Å; W157-N216 WeakPolarHBondContact CZ3-ND2 3.47Å | ||
| 158 | S | 57.5 | Low | 63.2 | Low | 86 Ų | 86 | 92.1 Ų | 92.1 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | trans | -95.1 | 3.8 | -164 | -39.9 | 0 | 0 | 0 | 0 | 114.7 | E156 | E156-S158 PolarHBondContact O-N 3.1Å; E156-S158 VanDerWaalsContact O-N 3.11Å; E156-S158 PolarHBondContact O-OG 3.2Å | ||
| 159 | T | 63 | Low | 61.6 | Low | 68 Ų | 68 | 98.6 Ų | 98.6 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -99.6 | 122.4 | -180 | -54.7 | 0 | 0 | 0 | 0 | 109.3 | W157 T161 | W157-T159 PolarHBondContact NE1-O 3.21Å; T159-T161 PolarHBondContact O-N 3.49Å; T159-T161 PolarHBondContact O-OG1 3.09Å |
| 160 | D | 57.2 | Low | 60.4 | Low | 159 Ų | 159 | 97 Ų | 97 | 85% | 0.85 | 51% | 0.514 | S | S | * | . | trans | -52.4 | 105.4 | 172.3 | -70.3 | -45.1 | 0 | 0 | 0 | 109.6 | E162 | D160-E162 PolarHBondContact O-N 3.05Š| ||
| 161 | T | 59.6 | Low | 60.3 | Low | 23 Ų | 23 | 96.1 Ų | 96.1 | 14% | 0.141 | 51% | 0.513 | C | S | . | . | trans | -83.4 | 103.9 | 179.7 | -59.2 | 0 | 0 | 0 | 0 | 107.1 | V127 H130 W157 T159 T163 | V127-T161 HydrophobicContact CG1-CG2 4.16Å; H130-T161 PolarHBondContact CD2-OG1 3.48Å; H130-T161 VanDerWaalsContact CD2-OG1 3.3Å; W157-T161 PolarHBondContact NE1-OG1 2.81Å; T159-T161 PolarHBondContact O-N 3.49Å; T159-T161 PolarHBondContact O-OG1 3.09Å; T161-T163 PolarHBondContact O-N 3.16Å | ||
| 162 | E | 53 | Low | 60.6 | Low | 157 Ų | 157 | 93.1 Ų | 93.1 | 73% | 0.734 | 49% | 0.489 | S | S | * | . | trans | -54.2 | 114 | -178.7 | -82.7 | -170.8 | 134.7 | 0 | 0 | 110.4 | D160 S164 R204 | D160-E162 PolarHBondContact O-N 3.05Å; E162-S164 PolarHBondContact O-N 3.28Å; E162-S164 PolarHBondContact O-OG 2.82Å; E162-R204 PolarHBondContact O-NE 3.4Å; E162-R204 PolarHBondContact O-NH2 3.36Å | ||
| 163 | T | 48.3 | Very low | 61.4 | Low | 102 Ų | 102 | 92.5 Ų | 92.5 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | trans | -77.9 | 53.3 | 175.6 | 41.3 | 0 | 0 | 0 | 0 | 110.4 | T161 Y165 | T161-T163 PolarHBondContact O-N 3.16Å; T163-Y165 PolarHBondContact O-N 3.46Å | ||
| 164 | S | 45.7 | Very low | 62.4 | Low | 50 Ų | 50 | 91.9 Ų | 91.9 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | trans | -67.6 | 66.3 | 163.1 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | E162 R204 | E162-S164 PolarHBondContact O-N 3.28Å; E162-S164 PolarHBondContact O-OG 2.82Å; S164-R204 PolarHBondContact O-NH1 2.89Å; S164-R204 PolarHBondContact O-NH2 2.79Å; S164-R204 VanDerWaalsContact O-NH2 3.1Å; S164-R204 PolarHBondContact OG-NH1 2.76Å; S164-R204 PolarHBondContact OG-NH2 2.8Å | ||
| 165 | Y | 45.9 | Very low | 63.8 | Low | 124 Ų | 124 | 82.9 Ų | 82.9 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | trans | -105.7 | 9 | 147.7 | -74.4 | -71 | 0 | 0 | 0 | 110.5 | T163 E167 | T163-Y165 PolarHBondContact O-N 3.46Å; Y165-E167 VanDerWaalsContact C-N 3.29Å; Y165-E167 PolarHBondContact O-N 2.93Å | ||
| 166 | L | 41.1 | Very low | 65.3 | Low | 135 Ų | 135 | 80.3 Ų | 80.3 | 71% | 0.707 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -63 | 90.8 | 164.7 | -77.2 | 165.9 | 0 | 0 | 0 | 109.5 | N168 | L166-N168 VanDerWaalsContact C-N 3.29Å; L166-N168 PolarHBondContact O-N 3.45Å |
| 167 | E | 48.6 | Very low | 66.4 | Low | 148 Ų | 148 | 75.4 Ų | 75.4 | 69% | 0.692 | 39% | 0.389 | S | S | * | . | trans | 27 | 62 | 130.8 | -66.6 | 160.9 | -150.7 | 0 | 0 | 114.3 | K12 Y165 E169 | K12-E167 IonicContact NZ-OE1 3.85Å; K12-E167 PolarHBondContact NZ-OE1 3.45Å; Y165-E167 VanDerWaalsContact C-N 3.29Å; Y165-E167 PolarHBondContact O-N 2.93Å; E167-E169 PolarHBondContact O-N 3.29Å; E167-E169 VanDerWaalsContact O-N 3.13Å | ||
| 168 | N | 49.4 | Very low | 67.4 | Low | 77 Ų | 77 | 75.2 Ų | 75.2 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | trans | -71.5 | 104.4 | 174.7 | -85.2 | -27.4 | 0 | 0 | 0 | 108.8 | L166 N170 | L166-N168 VanDerWaalsContact C-N 3.29Å; L166-N168 PolarHBondContact O-N 3.45Å; N168-N170 PolarHBondContact O-N 2.8Å; N168-N170 VanDerWaalsContact O-N 3.07Å | ||
| 169 | E | 53.4 | Low | 69.1 | Low | 201 Ų | 201 | 71.1 Ų | 71.1 | 94% | 0.939 | 36% | 0.359 | S | S | * | . | trans | -64.4 | -2.7 | 166.3 | -61.5 | -173.2 | 132.5 | 0 | 0 | 112.9 | E167 | E167-E169 PolarHBondContact O-N 3.29Å; E167-E169 VanDerWaalsContact O-N 3.13Å | ||
| 170 | N | 62.7 | Low | 70.5 | Confident | 93 Ų | 93 | 69 Ų | 69 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -86.3 | 141.5 | -175.5 | -63.2 | -38.4 | 0 | 0 | 0 | 112.5 | N168 | N168-N170 PolarHBondContact O-N 2.8Å; N168-N170 VanDerWaalsContact O-N 3.07Å |
| 171 | Q | 83.4 | Confident | 72.2 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | trans | -60.6 | 139.3 | 171.4 | 169.6 | 167.2 | 73 | 0 | 0 | 112.9 | P98 A101 I104 | P98-Q171 PolarHBondContact O-NE2 3.21Å; A101-Q171 PolarHBondContact O-NE2 2.83Å; I104-Q171 VanDerWaalsContact CD1-CD 3.4Å; I104-Q171 HydrophobicContact CD1-CG 4.19Å; I104-Q171 VanDerWaalsContact CD1-OE1 3.28Å; I104-Q171 HydrophobicContact CG1-CG 4.03Å | ||
| 172 | W | 89.4 | Confident | 73.7 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 17% | 0.167 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 106.1 | 178.7 | -64.6 | 94.7 | 0 | 0 | 0 | 111.7 | T102 H103 I104 I174 E191 L195 V201 | T102-W172 PolarHBondContact O-N 3.37Å; H103-W172 WeakPolarHBondContact CA-O 3.42Å; H103-W172 AromaticContact CD2-CD1 3.99Å; H103-W172 AromaticContact CD2-CG 3.94Å; H103-W172 AromaticContact CE1-CD1 3.85Å; H103-W172 AromaticContact NE2-CD1 3.65Å; H103-W172 AromaticContact NE2-CG 3.93Å; I104-W172 PolarHBondContact N-O 3.34Å; W172-I174 HydrophobicContact CB-CG1 4.48Å; W172-I174 HydrophobicContact CB-CG2 4.23Å; W172-I174 PolarHBondContact O-N 3.43Å; W172-E191 HydrophobicContact CD2-CB 3.84Å; W172-E191 HydrophobicContact CD2-CG 4.24Å; W172-E191 HydrophobicContact CE3-CB 3.57Å; W172-E191 HydrophobicContact CE3-CG 4.45Å; W172-E191 HydrophobicContact CH2-CB 4.17Å; W172-E191 HydrophobicContact CZ2-CB 4.41Å; W172-E191 HydrophobicContact CZ3-CB 3.74Å; W172-L195 HydrophobicContact CE3-CD2 3.93Å; W172-L195 HydrophobicContact CZ3-CD2 4.27Å; W172-V201 HydrophobicContact CE3-CG2 4.42Å; W172-V201 HydrophobicContact CZ3-CG1 4.01Å; W172-V201 HydrophobicContact CZ3-CG2 4.4Å |
| 173 | D | 91.8 | Very high | 75.5 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 98.7 | 169.3 | -50.9 | -67 | 0 | 0 | 0 | 110 | I196 S199 | D173-I196 HydrophobicContact CB-CD1 3.91Å; D173-I196 HydrophobicContact CB-CG1 3.88Å; D173-I196 PolarHBondContact O-N 3.5Å; D173-S199 WeakPolarHBondContact OD2-CA 3.29Å; D173-S199 PolarHBondContact OD2-OG 3.2Å |
| 174 | I | 93.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 166.2 | -171.1 | 51 | 150.3 | 0 | 0 | 0 | 113 | H103 I104 L105 H106 W172 W178 F194 L195 | H103-I174 HydrophobicContact CB-CD1 4.23Å; H103-I174 HydrophobicContact CB-CG1 4.43Å; I104-I174 PolarHBondContact O-N 2.79Å; L105-I174 WeakPolarHBondContact CA-O 3.35Å; L105-I174 HydrophobicContact CD2-CD1 3.56Å; L105-I174 HydrophobicContact CD2-CG1 3.93Å; H106-I174 PolarHBondContact N-O 2.82Å; W172-I174 HydrophobicContact CB-CG1 4.48Å; W172-I174 HydrophobicContact CB-CG2 4.23Å; W172-I174 PolarHBondContact O-N 3.43Å; I174-W178 HydrophobicContact CD1-CB 3.74Å; I174-W178 HydrophobicContact CD1-CD2 3.41Å; I174-W178 VanDerWaalsContact CD1-CD2 3.41Å; I174-W178 HydrophobicContact CD1-CE3 3.53Å; I174-W178 HydrophobicContact CD1-CG 3.51Å; I174-W178 HydrophobicContact CD1-CZ3 4.28Å; I174-F194 CarbonylContact C-O 3.58Å; I174-F194 VanDerWaalsContact CA-O 3.3Å; I174-F194 WeakPolarHBondContact CA-O 3.26Å; I174-F194 HydrophobicContact CB-CB 4.19Å; I174-F194 HydrophobicContact CG2-CB 4.33Å; I174-L195 HydrophobicContact CG2-CD2 4.05Å |
| 175 | D | 92.9 | Very high | 79.3 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 145.9 | 177.2 | 178.4 | 30.3 | 0 | 0 | 0 | 113.2 | Q107 P108 P109 R177 W178 F194 I196 | Q107-D175 VanDerWaalsContact C-OD1 3.26Å; P108-D175 WeakPolarHBondContact CA-OD1 3.44Å; P108-D175 VanDerWaalsContact N-OD1 3.1Å; P109-D175 WeakPolarHBondContact CD-OD2 3.46Å; D175-R177 PolarHBondContact O-N 3.32Å; D175-R177 WeakPolarHBondContact OD2-CG 3.47Å; D175-R177 IonicContact OD2-CZ 2.72Å; D175-R177 IonicContact OD2-NE 2.85Å; D175-R177 PolarHBondContact OD2-NE 2.77Å; D175-R177 IonicContact OD2-NH2 3.39Å; D175-R177 PolarHBondContact OD2-NH2 3.31Å; D175-W178 WeakPolarHBondContact O-CB 3.44Å; D175-W178 PolarHBondContact O-N 3.41Å; D175-F194 HydrophobicContact CB-CB 4.46Å; D175-F194 PolarHBondContact N-O 2.97Å; D175-I196 HydrophobicContact CB-CG2 4.41Å |
| 176 | A | 93.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -28.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L79 L83 H106 P108 W178 L179 L180 | L79-A176 HydrophobicContact CD2-CB 4.38Å; L83-A176 HydrophobicContact CD1-CB 3.75Å; L83-A176 HydrophobicContact CD2-CB 3.94Å; L83-A176 HydrophobicContact CG-CB 4.43Å; H106-A176 WeakPolarHBondContact O-CB 3.44Å; H106-A176 PolarHBondContact O-N 3.39Å; H106-A176 VanDerWaalsContact O-N 3.14Å; P108-A176 HydrophobicContact CG-CB 4.14Å; A176-W178 PolarHBondContact O-N 3.02Å; A176-L179 PolarHBondContact O-N 2.8Å; A176-L180 PolarHBondContact O-N 2.81Å |
| 177 | R | 92.7 | Very high | 83.6 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.9 | -34.3 | 174.2 | -74.7 | -177.4 | -63.4 | 150.1 | 8.9 | 112.7 | W112 D119 D175 L179 L180 Y181 F194 | W112-R177 VanDerWaalsContact CD1-CD 3.45Å; W112-R177 HydrophobicContact CD2-CG 4Å; W112-R177 HydrophobicContact CE3-CG 4.49Å; W112-R177 HydrophobicContact CG-CG 4.32Å; W112-R177 HydrophobicContact CZ2-CG 4.12Å; D119-R177 IonicContact OD1-NH1 3.96Å; D119-R177 PolarHBondContact OD1-NH1 3.47Å; D119-R177 WeakPolarHBondContact OD2-CD 3.39Å; D119-R177 IonicContact OD2-CZ 2.93Å; D119-R177 IonicContact OD2-NE 2.71Å; D119-R177 IonicContact OD2-NH1 3.23Å; D119-R177 PolarHBondContact OD2-NH1 3.23Å; D175-R177 PolarHBondContact O-N 3.32Å; D175-R177 WeakPolarHBondContact OD2-CG 3.47Å; D175-R177 IonicContact OD2-CZ 2.72Å; D175-R177 IonicContact OD2-NE 2.85Å; D175-R177 PolarHBondContact OD2-NE 2.77Å; D175-R177 IonicContact OD2-NH2 3.39Å; D175-R177 PolarHBondContact OD2-NH2 3.31Å; R177-L179 VanDerWaalsContact C-N 3.35Å; R177-L179 PolarHBondContact O-N 3.5Å; R177-L180 PolarHBondContact O-N 3.36Å; R177-Y181 HydrophobicContact CB-CE2 4.17Å; R177-Y181 WeakPolarHBondContact O-CB 3.31Å; R177-Y181 PolarHBondContact O-N 2.83Å; R177-F194 HydrophobicContact CB-CD1 3.79Å; R177-F194 HydrophobicContact CB-CE1 3.79Å |
| 178 | W | 93.6 | Very high | 85.4 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 178.5 | 176.5 | 84.8 | 0 | 0 | 0 | 112.7 | P67 V69 H103 L105 I174 D175 A176 S182 W188 M189 F194 | P67-W178 HydrophobicContact CB-CH2 3.83Å; P67-W178 HydrophobicContact CG-CH2 3.9Å; V69-W178 HydrophobicContact CG2-CZ3 4.33Å; H103-W178 AromaticContact CD2-CH2 3.83Å; H103-W178 AromaticContact CD2-CZ2 3.86Å; H103-W178 AromaticContact NE2-CH2 3.86Å; H103-W178 AromaticContact NE2-CZ2 3.65Å; L105-W178 HydrophobicContact CD2-CE3 4.09Å; I174-W178 HydrophobicContact CD1-CB 3.74Å; I174-W178 HydrophobicContact CD1-CD2 3.41Å; I174-W178 VanDerWaalsContact CD1-CD2 3.41Å; I174-W178 HydrophobicContact CD1-CE3 3.53Å; I174-W178 HydrophobicContact CD1-CG 3.51Å; I174-W178 HydrophobicContact CD1-CZ3 4.28Å; D175-W178 WeakPolarHBondContact O-CB 3.44Å; D175-W178 PolarHBondContact O-N 3.41Å; A176-W178 PolarHBondContact O-N 3.02Å; W178-S182 WeakPolarHBondContact O-CB 3.38Å; W178-S182 PolarHBondContact O-N 3.03Å; W178-S182 PolarHBondContact O-OG 2.82Å; W178-W188 AromaticContact CH2-CE3 3.67Å; W178-W188 HydrophobicContact CH2-CE3 3.67Å; W178-W188 AromaticContact CH2-CZ3 3.59Å; W178-W188 HydrophobicContact CH2-CZ3 3.59Å; W178-W188 AromaticContact CZ2-CE3 3.65Å; W178-W188 HydrophobicContact CZ2-CE3 3.65Å; W178-W188 HydrophobicContact CZ2-CZ3 4.07Å; W178-W188 HydrophobicContact CZ3-CE3 4.47Å; W178-W188 HydrophobicContact CZ3-CZ3 4.08Å; W178-M189 HydrophobicContact CG-CB 4.47Å; W178-M189 PolarHBondContact NE1-O 2.76Å; W178-F194 HydrophobicContact CB-CB 3.88Å; W178-F194 HydrophobicContact CB-CD1 4.07Å; W178-F194 HydrophobicContact CB-CD2 3.95Å; W178-F194 HydrophobicContact CB-CG 3.67Å; W178-F194 AromaticContact CD1-CD2 3.67Å; W178-F194 HydrophobicContact CG-CD2 4.23Å; W178-F194 HydrophobicContact CG-CG 4.39Å |
| 179 | L | 93.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.5 | -36.4 | -178.9 | -176.5 | 65.8 | 0 | 0 | 0 | 111.6 | L83 A87 L90 L105 A176 R177 S182 D183 | L83-L179 HydrophobicContact CB-CD2 4.24Å; L83-L179 HydrophobicContact CD2-CB 4.15Å; L83-L179 HydrophobicContact CD2-CD2 4.02Å; L83-L179 HydrophobicContact CD2-CG 4.46Å; L83-L179 WeakPolarHBondContact O-CD2 3.37Å; A87-L179 HydrophobicContact CB-CD2 4.12Å; L90-L179 HydrophobicContact CD1-CD1 3.85Å; L105-L179 HydrophobicContact CD1-CB 3.81Å; L105-L179 HydrophobicContact CD1-CD2 3.65Å; L105-L179 HydrophobicContact CD1-CG 4.34Å; A176-L179 PolarHBondContact O-N 2.8Å; R177-L179 VanDerWaalsContact C-N 3.35Å; R177-L179 PolarHBondContact O-N 3.5Å; L179-S182 PolarHBondContact O-N 3.26Å; L179-D183 WeakPolarHBondContact O-CB 3.41Å; L179-D183 PolarHBondContact O-N 2.81Å |
| 180 | L | 92.4 | Very high | 89 | Confident | 25 Ų | 25 | 30.4 Ų | 30.4 | 13% | 0.131 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.4 | -49.1 | 177.6 | -63.6 | 178.2 | 0 | 0 | 0 | 111.4 | L79 L83 W112 A176 R177 S182 D183 E184 | L79-L180 HydrophobicContact CD1-CD1 4.03Å; L83-L180 HydrophobicContact CD2-CD2 3.85Å; L83-L180 HydrophobicContact CD2-CG 3.88Å; W112-L180 HydrophobicContact CH2-CD1 3.58Å; W112-L180 HydrophobicContact CZ2-CD1 4.33Å; W112-L180 HydrophobicContact CZ3-CD1 4.29Å; A176-L180 PolarHBondContact O-N 2.81Å; R177-L180 PolarHBondContact O-N 3.36Å; L180-S182 VanDerWaalsContact C-N 3.28Å; L180-S182 PolarHBondContact O-N 2.95Å; L180-D183 WeakPolarHBondContact O-CB 3.49Å; L180-D183 PolarHBondContact O-N 3.08Å; L180-D183 VanDerWaalsContact O-N 3.16Å; L180-E184 WeakPolarHBondContact O-CB 3.21Å; L180-E184 PolarHBondContact O-N 2.73Å |
| 181 | Y | 91.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.4 | -28.5 | 178.6 | -62.3 | -6.9 | 0 | 0 | 0 | 111.5 | W112 D115 D119 R177 D183 E184 M185 F194 | W112-Y181 HydrophobicContact CZ2-CE1 4.18Å; W112-Y181 AromaticContact NE1-CZ 3.95Å; W112-Y181 PolarHBondContact NE1-OH 3.39Å; D115-Y181 PolarHBondContact O-OH 2.89Å; D119-Y181 HydrophobicContact CB-CE2 4.34Å; D119-Y181 PolarHBondContact OD2-OH 2.94Å; R177-Y181 HydrophobicContact CB-CE2 4.17Å; R177-Y181 WeakPolarHBondContact O-CB 3.31Å; R177-Y181 PolarHBondContact O-N 2.83Å; Y181-D183 VanDerWaalsContact C-N 3.33Å; Y181-D183 PolarHBondContact O-N 3.33Å; Y181-E184 PolarHBondContact O-N 3.29Å; Y181-M185 VanDerWaalsContact O-CB 3.3Å; Y181-M185 WeakPolarHBondContact O-CB 3.33Å; Y181-M185 VanDerWaalsContact O-CG 3.3Å; Y181-M185 WeakPolarHBondContact O-CG 3.37Å; Y181-M185 PolarHBondContact O-N 2.88Å; Y181-F194 AromaticContact CD2-CE1 3.69Å; Y181-F194 HydrophobicContact CD2-CE1 3.69Å; Y181-F194 AromaticContact CD2-CZ 3.74Å; Y181-F194 HydrophobicContact CD2-CZ 3.74Å; Y181-F194 AromaticContact CE2-CE1 3.91Å; Y181-F194 HydrophobicContact CE2-CE1 3.91Å; Y181-F194 HydrophobicContact CE2-CZ 4.3Å |
| 182 | S | 90.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.8 | -32.6 | 172.4 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | W178 L179 L180 Y186 E187 M189 | W178-S182 WeakPolarHBondContact O-CB 3.38Å; W178-S182 PolarHBondContact O-N 3.03Å; W178-S182 PolarHBondContact O-OG 2.82Å; L179-S182 PolarHBondContact O-N 3.26Å; L180-S182 VanDerWaalsContact C-N 3.28Å; L180-S182 PolarHBondContact O-N 2.95Å; S182-Y186 WeakPolarHBondContact O-CA 3.28Å; S182-Y186 PolarHBondContact O-N 3.13Å; S182-E187 VanDerWaalsContact CA-O 3.26Å; S182-E187 WeakPolarHBondContact CA-O 3.34Å; S182-E187 PolarHBondContact O-N 3.42Å; S182-M189 WeakPolarHBondContact OG-CG 3.15Å; S182-M189 PolarHBondContact OG-N 2.8Å |
| 183 | D | 91.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 8% | 0.075 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -79 | -35.7 | 177 | -175.6 | 43.6 | 0 | 0 | 0 | 111.2 | S86 R89 L90 L179 L180 Y181 | S86-D183 WeakPolarHBondContact CA-OD2 3.27Å; S86-D183 WeakPolarHBondContact CB-OD2 3.16Å; S86-D183 PolarHBondContact OG-OD2 3.33Å; R89-D183 WeakPolarHBondContact CB-OD1 3.29Å; R89-D183 WeakPolarHBondContact CD-OD1 3.11Å; R89-D183 IonicContact CZ-OD1 3.35Å; R89-D183 IonicContact CZ-OD2 2.77Å; R89-D183 VanDerWaalsContact CZ-OD2 3.23Å; R89-D183 VanDerWaalsContact NE-CG 3.34Å; R89-D183 IonicContact NE-OD1 3.02Å; R89-D183 PolarHBondContact NE-OD1 3.17Å; R89-D183 IonicContact NE-OD2 3.88Å; R89-D183 PolarHBondContact NE-OD2 2.83Å; R89-D183 IonicContact NH2-OD2 3.98Å; R89-D183 PolarHBondContact NH2-OD2 3.36Å; L90-D183 HydrophobicContact CD1-CB 4Å; L90-D183 HydrophobicContact CG-CB 4.2Å; L179-D183 WeakPolarHBondContact O-CB 3.41Å; L179-D183 PolarHBondContact O-N 2.81Å; L180-D183 WeakPolarHBondContact O-CB 3.49Å; L180-D183 PolarHBondContact O-N 3.08Å; L180-D183 VanDerWaalsContact O-N 3.16Å; Y181-D183 VanDerWaalsContact C-N 3.33Å; Y181-D183 PolarHBondContact O-N 3.33Å |
| 184 | E | 88.9 | Confident | 90.6 | Very high | 90 Ų | 90 | 22.5 Ų | 22.5 | 42% | 0.421 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -69.5 | -44.9 | 174.9 | -171.3 | -179.8 | 160.8 | 0 | 0 | 113 | S116 L180 Y181 | S116-E184 WeakPolarHBondContact CB-OE1 3.36Å; S116-E184 WeakPolarHBondContact CB-OE2 3.3Å; S116-E184 PolarHBondContact OG-OE1 3.4Å; S116-E184 PolarHBondContact OG-OE2 2.78Å; L180-E184 WeakPolarHBondContact O-CB 3.21Å; L180-E184 PolarHBondContact O-N 2.73Å; Y181-E184 PolarHBondContact O-N 3.29Å |
| 185 | M | 85.5 | Confident | 90.5 | Very high | 42 Ų | 42 | 24 Ų | 24 | 21% | 0.207 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -3.5 | -175.1 | -57.6 | -60.7 | -75.9 | 0 | 0 | 113.8 | F120 P143 Y146 Y181 E187 M189 | F120-M185 HydrophobicContact CE2-SD 4.48Å; F120-M185 HydrophobicContact CZ-CE 4.25Å; F120-M185 HydrophobicContact CZ-CG 4.35Å; F120-M185 HydrophobicContact CZ-SD 3.99Å; P143-M185 HydrophobicContact CG-CB 3.79Å; P143-M185 HydrophobicContact CG-CE 3.61Å; P143-M185 HydrophobicContact CG-CG 3.85Å; Y146-M185 HydrophobicContact CE2-CE 4.02Å; Y181-M185 VanDerWaalsContact O-CB 3.3Å; Y181-M185 WeakPolarHBondContact O-CB 3.33Å; Y181-M185 VanDerWaalsContact O-CG 3.3Å; Y181-M185 WeakPolarHBondContact O-CG 3.37Å; Y181-M185 PolarHBondContact O-N 2.88Å; M185-E187 PolarHBondContact O-N 3.43Å; M185-M189 HydrophobicContact CB-SD 4.39Å; M185-M189 HydrophobicContact CG-SD 4.31Å |
| 186 | Y | 88.3 | Confident | 90.3 | Very high | 149 Ų | 149 | 24.9 Ų | 24.9 | 58% | 0.584 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 28.6 | -176.6 | -64.3 | -82 | 0 | 0 | 0 | 115 | M1 K2 S182 | M1-Y186 CarbonylContact C-O 3.56Å; M1-Y186 WeakPolarHBondContact CA-O 3.22Å; M1-Y186 WeakPolarHBondContact CG-O 3.49Å; K2-Y186 PolarHBondContact N-O 3.35Å; S182-Y186 WeakPolarHBondContact O-CA 3.28Å; S182-Y186 PolarHBondContact O-N 3.13Å |
| 187 | E | 88.1 | Confident | 89.9 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -146.1 | 147 | -174.3 | -177.4 | 178.4 | 157.3 | 0 | 0 | 109.2 | K2 P143 A144 S145 S182 M185 M189 | K2-E187 HydrophobicContact CB-CB 4.29Å; K2-E187 HydrophobicContact CB-CG 4.24Å; K2-E187 HydrophobicContact CD-CB 4.21Å; K2-E187 HydrophobicContact CD-CG 4.32Å; K2-E187 VanDerWaalsContact CD-OE2 3.29Å; K2-E187 WeakPolarHBondContact CD-OE2 3.33Å; K2-E187 WeakPolarHBondContact CE-OE2 3.48Å; K2-E187 HydrophobicContact CG-CB 4.36Å; K2-E187 IonicContact NZ-OE2 3.94Å; K2-E187 PolarHBondContact NZ-OE2 2.78Å; P143-E187 HydrophobicContact CB-CB 4.34Å; P143-E187 VanDerWaalsContact CB-CD 3.43Å; P143-E187 HydrophobicContact CB-CG 4.14Å; P143-E187 WeakPolarHBondContact CB-OE1 3.28Å; A144-E187 PolarHBondContact N-OE1 2.85Å; S145-E187 WeakPolarHBondContact CB-OE1 3.4Å; S145-E187 WeakPolarHBondContact CB-OE2 3.4Å; S145-E187 PolarHBondContact N-OE1 3.37Å; S145-E187 PolarHBondContact OG-OE2 2.94Å; S182-E187 VanDerWaalsContact CA-O 3.26Å; S182-E187 WeakPolarHBondContact CA-O 3.34Å; S182-E187 PolarHBondContact O-N 3.42Å; M185-E187 PolarHBondContact O-N 3.43Å; E187-M189 PolarHBondContact O-N 3.35Å |
| 188 | W | 88.1 | Confident | 89.5 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 122.2 | 177.2 | -71.9 | 118 | 0 | 0 | 0 | 110.7 | M1 P67 L90 V92 W178 | M1-W188 HydrophobicContact CE-CD2 3.38Å; M1-W188 VanDerWaalsContact CE-CE2 3.45Å; M1-W188 HydrophobicContact CE-CE3 3.58Å; M1-W188 HydrophobicContact CE-CG 3.87Å; M1-W188 HydrophobicContact CE-CH2 3.78Å; M1-W188 HydrophobicContact CE-CZ2 3.66Å; M1-W188 HydrophobicContact CE-CZ3 3.77Å; M1-W188 HydrophobicContact SD-CD2 3.92Å; M1-W188 HydrophobicContact SD-CG 4.32Å; M1-W188 HydrophobicContact SD-CH2 4.05Å; M1-W188 HydrophobicContact SD-CZ2 3.4Å; M1-W188 WeakPolarHBondContact SD-CZ2 3.4Å; M1-W188 PolarHBondContact SD-NE1 3.38Å; P67-W188 HydrophobicContact CG-CD2 4.24Å; P67-W188 HydrophobicContact CG-CE3 4.11Å; P67-W188 HydrophobicContact CG-CH2 3.35Å; P67-W188 HydrophobicContact CG-CZ2 3.42Å; P67-W188 VanDerWaalsContact CG-CZ2 3.42Å; P67-W188 HydrophobicContact CG-CZ3 3.68Å; L90-W188 HydrophobicContact CB-CH2 4.17Å; L90-W188 HydrophobicContact CD1-CH2 3.93Å; L90-W188 HydrophobicContact CD1-CZ3 3.97Å; V92-W188 HydrophobicContact CG2-CH2 3.53Å; V92-W188 HydrophobicContact CG2-CZ2 4.2Å; W178-W188 AromaticContact CH2-CE3 3.67Å; W178-W188 HydrophobicContact CH2-CE3 3.67Å; W178-W188 AromaticContact CH2-CZ3 3.59Å; W178-W188 HydrophobicContact CH2-CZ3 3.59Å; W178-W188 AromaticContact CZ2-CE3 3.65Å; W178-W188 HydrophobicContact CZ2-CE3 3.65Å; W178-W188 HydrophobicContact CZ2-CZ3 4.07Å; W178-W188 HydrophobicContact CZ3-CE3 4.47Å; W178-W188 HydrophobicContact CZ3-CZ3 4.08Å |
| 189 | M | 89.2 | Confident | 89 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 149 | 175.6 | -59.4 | -56.9 | -66.5 | 0 | 0 | 111.1 | Y141 S142 P143 W178 S182 M185 E187 E191 F194 | Y141-M189 WeakPolarHBondContact O-CE 3.3Å; S142-M189 VanDerWaalsContact C-CE 3.47Å; P143-M189 HydrophobicContact CB-SD 4.15Å; P143-M189 HydrophobicContact CG-CE 4.24Å; P143-M189 HydrophobicContact CG-SD 3.84Å; W178-M189 HydrophobicContact CG-CB 4.47Å; W178-M189 PolarHBondContact NE1-O 2.76Å; S182-M189 WeakPolarHBondContact OG-CG 3.15Å; S182-M189 PolarHBondContact OG-N 2.8Å; M185-M189 HydrophobicContact CB-SD 4.39Å; M185-M189 HydrophobicContact CG-SD 4.31Å; E187-M189 PolarHBondContact O-N 3.35Å; M189-E191 PolarHBondContact O-N 3.32Å; M189-F194 HydrophobicContact CB-CE2 3.8Å; M189-F194 HydrophobicContact CB-CZ 4.34Å; M189-F194 HydrophobicContact CE-CE2 4.45Å; M189-F194 HydrophobicContact CE-CZ 4.21Å |
| 190 | V | 89 | Confident | 88.3 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 121.9 | -179.6 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | H138 A144 E192 D193 F194 | H138-V190 VanDerWaalsContact CE1-CG2 3.41Å; H138-V190 WeakPolarHBondContact CE1-CG2 3.47Å; A144-V190 HydrophobicContact CB-CG2 3.96Å; V190-E192 VanDerWaalsContact C-N 3.28Å; V190-E192 HydrophobicContact CG1-CB 4.23Å; V190-E192 PolarHBondContact O-N 3Å; V190-D193 PolarHBondContact O-N 3.41Å; V190-F194 WeakPolarHBondContact O-CD2 3.24Å |
| 191 | E | 90.1 | Very high | 87.6 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -61.4 | -35.5 | -170.5 | -55.2 | 88.5 | 154.6 | 0 | 0 | 111.8 | K6 W172 M189 D193 F194 | K6-E191 IonicContact NZ-OE1 2.77Å; K6-E191 PolarHBondContact NZ-OE1 3.14Å; K6-E191 VanDerWaalsContact NZ-OE1 3.09Å; W172-E191 HydrophobicContact CD2-CB 3.84Å; W172-E191 HydrophobicContact CD2-CG 4.24Å; W172-E191 HydrophobicContact CE3-CB 3.57Å; W172-E191 HydrophobicContact CE3-CG 4.45Å; W172-E191 HydrophobicContact CH2-CB 4.17Å; W172-E191 HydrophobicContact CZ2-CB 4.41Å; W172-E191 HydrophobicContact CZ3-CB 3.74Å; M189-E191 PolarHBondContact O-N 3.32Å; E191-D193 PolarHBondContact O-N 2.8Å; E191-D193 VanDerWaalsContact O-N 3.16Å; E191-F194 PolarHBondContact O-N 2.93Å |
| 192 | E | 88.3 | Confident | 87 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 9% | 0.093 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -59.3 | -23.8 | 179 | -76.1 | -164.1 | -163.3 | 0 | 0 | 115.5 | R126 V190 L195 R204 | R126-E192 IonicContact CZ-OE2 3.91Å; R126-E192 IonicContact NE-OE2 3.7Å; R126-E192 IonicContact NH1-OE2 3.27Å; R126-E192 PolarHBondContact NH1-OE2 2.88Å; R126-E192 PolarHBondContact NH2-O 3.35Å; V190-E192 VanDerWaalsContact C-N 3.28Å; V190-E192 HydrophobicContact CG1-CB 4.23Å; V190-E192 PolarHBondContact O-N 3Å; E192-L195 HydrophobicContact CB-CD1 4.49Å; E192-R204 IonicContact OE1-CZ 2.73Å; E192-R204 IonicContact OE1-NH1 3.92Å; E192-R204 PolarHBondContact OE1-NH1 3.32Å; E192-R204 WeakPolarHBondContact OE2-CB 3.29Å; E192-R204 WeakPolarHBondContact OE2-CG 3.21Å; E192-R204 PolarHBondContact OE2-N 3.05Å; E192-R204 VanDerWaalsContact OE2-N 3.13Å |
| 193 | D | 89 | Confident | 86.4 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -82.2 | -20.2 | -177 | -73.7 | -13.7 | 0 | 0 | 0 | 112.8 | R126 H138 L140 Y141 V190 E191 | R126-D193 IonicContact CZ-OD1 3.53Å; R126-D193 IonicContact NE-OD1 3.54Å; R126-D193 PolarHBondContact NE-OD1 3.28Å; R126-D193 IonicContact NH2-OD1 2.61Å; R126-D193 PolarHBondContact NH2-OD1 2.9Å; H138-D193 IonicContact CD2-OD2 2.58Å; H138-D193 IonicContact CE1-OD2 2.57Å; H138-D193 IonicContact NE2-OD2 2.71Å; H138-D193 PolarHBondContact NE2-OD2 3.49Å; L140-D193 WeakPolarHBondContact CD1-OD1 3.39Å; Y141-D193 HydrophobicContact CD1-CB 4.09Å; Y141-D193 HydrophobicContact CE1-CB 4.28Å; Y141-D193 VanDerWaalsContact CE1-O 3.22Å; Y141-D193 WeakPolarHBondContact CE1-O 3.29Å; Y141-D193 PolarHBondContact N-OD2 2.9Å; V190-D193 PolarHBondContact O-N 3.41Å; E191-D193 PolarHBondContact O-N 2.8Å; E191-D193 VanDerWaalsContact O-N 3.16Å |
| 194 | F | 91.9 | Very high | 86 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -109.7 | 4.4 | -175.1 | -56 | -89.2 | 0 | 0 | 0 | 113 | Y141 I174 D175 R177 W178 Y181 M189 V190 E191 I196 | Y141-F194 HydrophobicContact CD1-CD1 4.45Å; Y141-F194 AromaticContact CD1-CE1 3.83Å; Y141-F194 HydrophobicContact CD1-CE1 3.83Å; Y141-F194 AromaticContact CD1-CZ 3.86Å; Y141-F194 HydrophobicContact CD1-CZ 3.86Å; Y141-F194 HydrophobicContact CE1-CE1 4.44Å; I174-F194 CarbonylContact C-O 3.58Å; I174-F194 VanDerWaalsContact CA-O 3.3Å; I174-F194 WeakPolarHBondContact CA-O 3.26Å; I174-F194 HydrophobicContact CB-CB 4.19Å; I174-F194 HydrophobicContact CG2-CB 4.33Å; D175-F194 HydrophobicContact CB-CB 4.46Å; D175-F194 PolarHBondContact N-O 2.97Å; R177-F194 HydrophobicContact CB-CD1 3.79Å; R177-F194 HydrophobicContact CB-CE1 3.79Å; W178-F194 HydrophobicContact CB-CB 3.88Å; W178-F194 HydrophobicContact CB-CD1 4.07Å; W178-F194 HydrophobicContact CB-CD2 3.95Å; W178-F194 HydrophobicContact CB-CG 3.67Å; W178-F194 AromaticContact CD1-CD2 3.67Å; W178-F194 HydrophobicContact CG-CD2 4.23Å; W178-F194 HydrophobicContact CG-CG 4.39Å; Y181-F194 AromaticContact CD2-CE1 3.69Å; Y181-F194 HydrophobicContact CD2-CE1 3.69Å; Y181-F194 AromaticContact CD2-CZ 3.74Å; Y181-F194 HydrophobicContact CD2-CZ 3.74Å; Y181-F194 AromaticContact CE2-CE1 3.91Å; Y181-F194 HydrophobicContact CE2-CE1 3.91Å; Y181-F194 HydrophobicContact CE2-CZ 4.3Å; M189-F194 HydrophobicContact CB-CE2 3.8Å; M189-F194 HydrophobicContact CB-CZ 4.34Å; M189-F194 HydrophobicContact CE-CE2 4.45Å; M189-F194 HydrophobicContact CE-CZ 4.21Å; V190-F194 WeakPolarHBondContact O-CD2 3.24Å; E191-F194 PolarHBondContact O-N 2.93Å; F194-I196 PolarHBondContact O-N 3.13Å |
| 195 | L | 91.5 | Very high | 85.8 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -54.8 | 128.6 | 176 | -70.9 | 174.4 | 0 | 0 | 0 | 111.5 | W172 I174 E192 V201 P203 | W172-L195 HydrophobicContact CE3-CD2 3.93Å; W172-L195 HydrophobicContact CZ3-CD2 4.27Å; I174-L195 HydrophobicContact CG2-CD2 4.05Å; E192-L195 HydrophobicContact CB-CD1 4.49Å; L195-V201 HydrophobicContact CD1-CB 4.15Å; L195-V201 HydrophobicContact CD1-CG1 3.96Å; L195-V201 HydrophobicContact CD2-CB 4.02Å; L195-V201 HydrophobicContact CD2-CG1 4.45Å; L195-P203 HydrophobicContact CD1-CB 4.11Å |
| 196 | I | 90 | Very high | 85.9 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | trans | -81.1 | 155.3 | 175.8 | 66.8 | -178.8 | 0 | 0 | 0 | 111.3 | H106 D173 D175 F194 T198 S199 | H106-I196 HydrophobicContact CB-CD1 4.32Å; H106-I196 HydrophobicContact CB-CG2 4.15Å; H106-I196 VanDerWaalsContact CD2-CD1 3.43Å; H106-I196 WeakPolarHBondContact CD2-CD1 3.41Å; D173-I196 HydrophobicContact CB-CD1 3.91Å; D173-I196 HydrophobicContact CB-CG1 3.88Å; D173-I196 PolarHBondContact O-N 3.5Å; D175-I196 HydrophobicContact CB-CG2 4.41Å; F194-I196 PolarHBondContact O-N 3.13Å; I196-T198 WeakPolarHBondContact CD1-OG1 3.26Å; I196-T198 WeakPolarHBondContact CG1-OG1 3.36Å; I196-T198 PolarHBondContact O-N 3.41Å; I196-S199 WeakPolarHBondContact O-CB 3.44Å; I196-S199 PolarHBondContact O-N 3.3Å | ||
| 197 | P | 84.5 | Confident | 85.9 | Confident | 142 Ų | 142 | 49.3 Ų | 49.3 | 92% | 0.922 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.6 | -178.8 | -25.6 | 35.6 | 0 | 0 | 0 | 116.2 | ||
| 198 | T | 83 | Confident | 85.8 | Confident | 117 Ų | 117 | 50 Ų | 50 | 72% | 0.718 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 0.7 | 174.6 | 54 | 0 | 0 | 0 | 0 | 113.6 | I196 | I196-T198 WeakPolarHBondContact CD1-OG1 3.26Å; I196-T198 WeakPolarHBondContact CG1-OG1 3.36Å; I196-T198 PolarHBondContact O-N 3.41Å |
| 199 | S | 83.4 | Confident | 85.6 | Confident | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | trans | -64.1 | 146.9 | 179.4 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | D173 I196 V201 | D173-S199 WeakPolarHBondContact OD2-CA 3.29Å; D173-S199 PolarHBondContact OD2-OG 3.2Å; I196-S199 WeakPolarHBondContact O-CB 3.44Å; I196-S199 PolarHBondContact O-N 3.3Å; S199-V201 VanDerWaalsContact C-N 3.27Å; S199-V201 PolarHBondContact OG-N 3.48Å | ||
| 200 | S | 79.2 | Confident | 85.2 | Confident | 85 Ų | 85 | 58 Ų | 58 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70.2 | -22.9 | 169 | 64.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 201 | V | 77.8 | Confident | 85 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -82.4 | 129.4 | -177.7 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | W172 L195 S199 | W172-V201 HydrophobicContact CE3-CG2 4.42Å; W172-V201 HydrophobicContact CZ3-CG1 4.01Å; W172-V201 HydrophobicContact CZ3-CG2 4.4Å; L195-V201 HydrophobicContact CD1-CB 4.15Å; L195-V201 HydrophobicContact CD1-CG1 3.96Å; L195-V201 HydrophobicContact CD2-CB 4.02Å; L195-V201 HydrophobicContact CD2-CG1 4.45Å; S199-V201 VanDerWaalsContact C-N 3.27Å; S199-V201 PolarHBondContact OG-N 3.48Å |
| 202 | K | 78.7 | Confident | 84.6 | Confident | 177 Ų | 177 | 59.3 Ų | 59.3 | 77% | 0.77 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 122.5 | 173.1 | -67.1 | 177.8 | -176 | 170.9 | 0 | 109.8 | ||
| 203 | P | 79.3 | Confident | 84.1 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 149.9 | 173 | 26 | -32.5 | 0 | 0 | 0 | 111.6 | L195 | L195-P203 HydrophobicContact CD1-CB 4.11Š|
| 204 | R | 81.7 | Confident | 83.3 | Confident | 34 Ų | 34 | 68 Ų | 68 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 158.2 | 165 | -71.3 | 175.3 | 166.4 | 100.5 | -7.7 | 111.6 | R126 E162 S164 E192 T206 | R126-R204 PolarHBondContact NH1-O 3.43Å; R126-R204 VanDerWaalsContact NH1-O 3.15Å; E162-R204 PolarHBondContact O-NE 3.4Å; E162-R204 PolarHBondContact O-NH2 3.36Å; S164-R204 PolarHBondContact O-NH1 2.89Å; S164-R204 PolarHBondContact O-NH2 2.79Å; S164-R204 VanDerWaalsContact O-NH2 3.1Å; S164-R204 PolarHBondContact OG-NH1 2.76Å; S164-R204 PolarHBondContact OG-NH2 2.8Å; E192-R204 IonicContact OE1-CZ 2.73Å; E192-R204 IonicContact OE1-NH1 3.92Å; E192-R204 PolarHBondContact OE1-NH1 3.32Å; E192-R204 WeakPolarHBondContact OE2-CB 3.29Å; E192-R204 WeakPolarHBondContact OE2-CG 3.21Å; E192-R204 PolarHBondContact OE2-N 3.05Å; E192-R204 VanDerWaalsContact OE2-N 3.13Å; R204-T206 PolarHBondContact O-N 3.38Å |
| 205 | L | 84.8 | Confident | 81.9 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 63% | 0.628 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 134 | 174 | -172.8 | 56.8 | 0 | 0 | 0 | 110.5 | Y207 | L205-Y207 HydrophobicContact CB-CE2 4.49Å; L205-Y207 HydrophobicContact CD2-CE1 3.9Å; L205-Y207 HydrophobicContact CG-CE1 4.24Å; L205-Y207 HydrophobicContact CG-CE2 4.4Å |
| 206 | T | 87.4 | Confident | 80.1 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 147.2 | 172.4 | 68.7 | 0 | 0 | 0 | 0 | 110 | F125 R126 L140 R204 | F125-T206 CarbonylContact O-C 3.58Å; F125-T206 WeakPolarHBondContact O-CA 3.28Å; R126-T206 HydrophobicContact CG-CG2 3.98Å; L140-T206 HydrophobicContact CD1-CG2 3.57Å; L140-T206 HydrophobicContact CD2-CG2 4.47Å; R204-T206 PolarHBondContact O-N 3.38Å |
| 207 | Y | 88.2 | Confident | 77.8 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 9% | 0.086 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144 | 178.8 | -53.4 | -91.5 | 0 | 0 | 0 | 109.9 | R124 F125 V127 W157 L205 E211 F212 T215 | R124-Y207 VanDerWaalsContact CA-O 3.28Å; R124-Y207 WeakPolarHBondContact CA-O 3.17Å; F125-Y207 PolarHBondContact N-O 2.72Å; F125-Y207 PolarHBondContact O-N 2.99Å; V127-Y207 HydrophobicContact CG2-CD2 4.28Å; V127-Y207 HydrophobicContact CG2-CE2 3.97Å; W157-Y207 HydrophobicContact CH2-CE1 4.29Å; W157-Y207 HydrophobicContact CH2-CE2 4.48Å; W157-Y207 HydrophobicContact CZ2-CE2 4.35Å; W157-Y207 AromaticContact CZ2-CZ 3.99Å; L205-Y207 HydrophobicContact CB-CE2 4.49Å; L205-Y207 HydrophobicContact CD2-CE1 3.9Å; L205-Y207 HydrophobicContact CG-CE1 4.24Å; L205-Y207 HydrophobicContact CG-CE2 4.4Å; Y207-E211 WeakPolarHBondContact CA-OE2 3.48Å; Y207-F212 HydrophobicContact CG-CB 4.45Å; Y207-T215 HydrophobicContact CE1-CG2 4.26Å |
| 208 | S | 87.2 | Confident | 75.5 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | trans | -78 | 162.8 | 153.9 | 77.7 | 0 | 0 | 0 | 0 | 110.3 | E210 E211 F212 | S208-E210 PolarHBondContact O-N 3.33Å; S208-E210 PolarHBondContact OG-N 3.27Å; S208-E211 PolarHBondContact N-OE2 2.96Å; S208-E211 PolarHBondContact O-N 3.16Å; S208-E211 WeakPolarHBondContact OG-CB 3.32Å; S208-E211 VanDerWaalsContact OG-CD 3.25Å; S208-E211 VanDerWaalsContact OG-CG 3.23Å; S208-E211 WeakPolarHBondContact OG-CG 3.35Å; S208-E211 PolarHBondContact OG-N 2.92Å; S208-F212 WeakPolarHBondContact O-CB 3.36Å; S208-F212 PolarHBondContact O-N 3.3Å | ||
| 209 | P | 83.4 | Confident | 73.1 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.6 | -38 | 173 | -26.7 | 34.8 | 0 | 0 | 0 | 113.4 | Q123 F125 M213 | Q123-P209 WeakPolarHBondContact O-CD 3.3Å; F125-P209 HydrophobicContact CE1-CG 4.23Å; P209-M213 WeakPolarHBondContact O-CG 3.46Å; P209-M213 PolarHBondContact O-N 3.01Å |
| 210 | E | 80.5 | Confident | 70.5 | Confident | 150 Ų | 150 | 76.9 Ų | 76.9 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.9 | -44.5 | 176.7 | -63.2 | 177.8 | -166.7 | 0 | 0 | 112.1 | S208 F212 M213 N214 | S208-E210 PolarHBondContact O-N 3.33Å; S208-E210 PolarHBondContact OG-N 3.27Å; E210-F212 VanDerWaalsContact C-N 3.33Å; E210-F212 PolarHBondContact O-N 3.25Å; E210-M213 PolarHBondContact O-N 3.29Å; E210-N214 PolarHBondContact O-N 3.25Å; E210-N214 PolarHBondContact O-ND2 3.21Å |
| 211 | E | 84.9 | Confident | 68.2 | Low | 78 Ų | 78 | 76.9 Ų | 76.9 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 178.1 | -72.3 | 157.3 | -163.5 | 0 | 0 | 110.6 | R124 Y207 S208 N214 T215 | R124-E211 IonicContact CZ-OE1 3.88Å; R124-E211 IonicContact CZ-OE2 2.97Å; R124-E211 IonicContact NH1-OE1 2.67Å; R124-E211 IonicContact NH1-OE2 3.23Å; R124-E211 PolarHBondContact NH1-OE2 3.26Å; R124-E211 IonicContact NH2-OE1 3.36Å; R124-E211 PolarHBondContact NH2-OE1 3.11Å; R124-E211 IonicContact NH2-OE2 3.09Å; R124-E211 PolarHBondContact NH2-OE2 3.37Å; Y207-E211 WeakPolarHBondContact CA-OE2 3.48Å; S208-E211 PolarHBondContact N-OE2 2.96Å; S208-E211 PolarHBondContact O-N 3.16Å; S208-E211 WeakPolarHBondContact OG-CB 3.32Å; S208-E211 VanDerWaalsContact OG-CD 3.25Å; S208-E211 VanDerWaalsContact OG-CG 3.23Å; S208-E211 WeakPolarHBondContact OG-CG 3.35Å; S208-E211 PolarHBondContact OG-N 2.92Å; E211-N214 PolarHBondContact O-N 2.89Å; E211-T215 PolarHBondContact O-N 3.36Å |
| 212 | F | 82.7 | Confident | 66.1 | Low | 7 Ų | 7 | 82.3 Ų | 82.3 | 3% | 0.031 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -67 | -35.1 | -178.3 | 179.3 | -98.6 | 0 | 0 | 0 | 114.5 | F125 V127 V135 L137 Y150 L153 W157 Y207 S208 E210 T215 | F125-F212 HydrophobicContact CE2-CB 3.91Å; F125-F212 HydrophobicContact CE2-CD1 4.34Å; F125-F212 AromaticContact CE2-CD2 3.65Å; F125-F212 HydrophobicContact CE2-CD2 3.65Å; F125-F212 HydrophobicContact CE2-CE2 4.27Å; F125-F212 AromaticContact CE2-CG 3.69Å; F125-F212 HydrophobicContact CE2-CG 3.69Å; F125-F212 HydrophobicContact CZ-CB 3.53Å; F125-F212 HydrophobicContact CZ-CD1 4.02Å; F125-F212 HydrophobicContact CZ-CD2 4.07Å; F125-F212 AromaticContact CZ-CG 3.6Å; F125-F212 HydrophobicContact CZ-CG 3.6Å; V127-F212 HydrophobicContact CG2-CD2 4.43Å; V127-F212 HydrophobicContact CG2-CE2 4.01Å; V135-F212 HydrophobicContact CG2-CE2 4.28Å; V135-F212 HydrophobicContact CG2-CZ 3.76Å; L137-F212 HydrophobicContact CD2-CE2 4.41Å; Y150-F212 AromaticContact CD1-CE1 3.95Å; Y150-F212 HydrophobicContact CD1-CE1 3.95Å; Y150-F212 HydrophobicContact CD1-CZ 4.31Å; Y150-F212 AromaticContact CE1-CE1 3.92Å; Y150-F212 HydrophobicContact CE1-CE1 3.92Å; L153-F212 HydrophobicContact CD1-CZ 4.2Å; W157-F212 AromaticContact CE3-CE2 3.91Å; W157-F212 HydrophobicContact CE3-CE2 3.91Å; W157-F212 HydrophobicContact CE3-CZ 4.34Å; W157-F212 AromaticContact CH2-CD2 3.66Å; W157-F212 HydrophobicContact CH2-CD2 3.66Å; W157-F212 AromaticContact CH2-CE2 3.53Å; W157-F212 HydrophobicContact CH2-CE2 3.53Å; W157-F212 HydrophobicContact CZ2-CE2 4.37Å; W157-F212 AromaticContact CZ3-CD2 3.67Å; W157-F212 HydrophobicContact CZ3-CD2 3.67Å; W157-F212 AromaticContact CZ3-CE2 3.26Å; W157-F212 HydrophobicContact CZ3-CE2 3.26Å; W157-F212 AromaticContact CZ3-CZ 3.99Å; W157-F212 HydrophobicContact CZ3-CZ 3.99Å; Y207-F212 HydrophobicContact CG-CB 4.45Å; S208-F212 WeakPolarHBondContact O-CB 3.36Å; S208-F212 PolarHBondContact O-N 3.3Å; E210-F212 VanDerWaalsContact C-N 3.33Å; E210-F212 PolarHBondContact O-N 3.25Å; F212-T215 PolarHBondContact O-OG1 2.97Å |
| 213 | M | 76.1 | Confident | 63.9 | Low | 107 Ų | 107 | 79 Ų | 79 | 53% | 0.527 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.2 | -32.4 | 175.4 | -70.4 | -62.8 | -140.3 | 0 | 0 | 112.1 | P209 E210 T217 | P209-M213 WeakPolarHBondContact O-CG 3.46Å; P209-M213 PolarHBondContact O-N 3.01Å; E210-M213 PolarHBondContact O-N 3.29Å; M213-T217 PolarHBondContact O-OG1 2.97Å |
| 214 | N | 72.5 | Confident | 61.6 | Low | 104 Ų | 104 | 82.3 Ų | 82.3 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -76.8 | -30.8 | -177.3 | -76.5 | -54.2 | 0 | 0 | 0 | 113.8 | E210 E211 T217 S218 | E210-N214 PolarHBondContact O-N 3.25Å; E210-N214 PolarHBondContact O-ND2 3.21Å; E211-N214 PolarHBondContact O-N 2.89Å; N214-T217 PolarHBondContact O-N 3.13Å; N214-S218 PolarHBondContact O-OG 3.03Å |
| 215 | T | 63.6 | Low | 59.2 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 37% | 0.368 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | Y207 E211 F212 T217 S218 | Y207-T215 HydrophobicContact CE1-CG2 4.26Å; E211-T215 PolarHBondContact O-N 3.36Å; F212-T215 PolarHBondContact O-OG1 2.97Å; T215-T217 PolarHBondContact O-N 2.88Å; T215-T217 VanDerWaalsContact O-N 3.16Å; T215-S218 PolarHBondContact O-N 3.45Å |
| 216 | N | 53.2 | Low | 56.6 | Low | 38 Ų | 38 | 88.5 Ų | 88.5 | 20% | 0.203 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.6 | -179.6 | -74.2 | -53.4 | 0 | 0 | 0 | 114.1 | W157 | W157-N216 WeakPolarHBondContact CZ3-ND2 3.47Š|
| 217 | T | 42.1 | Very low | 54 | Low | 114 Ų | 114 | 92 Ų | 92 | 70% | 0.699 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -6.3 | -176.2 | -52.6 | 0 | 0 | 0 | 0 | 112.8 | M213 N214 T215 | M213-T217 PolarHBondContact O-OG1 2.97Å; N214-T217 PolarHBondContact O-N 3.13Å; T215-T217 PolarHBondContact O-N 2.88Å; T215-T217 VanDerWaalsContact O-N 3.16Å |
| 218 | S | 35.3 | Very low | 51.2 | Low | 94 Ų | 94 | 94.7 Ų | 94.7 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | trans | -109.2 | 13.7 | -164 | -59.5 | 0 | 0 | 0 | 0 | 115.9 | N214 T215 T220 | N214-S218 PolarHBondContact O-OG 3.03Å; T215-S218 PolarHBondContact O-N 3.45Å; S218-T220 VanDerWaalsContact C-N 3.3Å; S218-T220 PolarHBondContact O-N 3.33Å | ||
| 219 | A | 33.3 | Very low | 48.6 | Very low | 74 Ų | 74 | 102.2 Ų | 102.2 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | trans | -77.9 | 54.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 220 | T | 29.3 | Very low | 45.9 | Very low | 142 Ų | 142 | 109.6 Ų | 109.6 | 87% | 0.871 | 64% | 0.635 | S | S | * | * | trans | -150.6 | 38.3 | 173.8 | -32 | 0 | 0 | 0 | 0 | 115.2 | S218 | S218-T220 VanDerWaalsContact C-N 3.3Å; S218-T220 PolarHBondContact O-N 3.33Å | ||
| 221 | A | 30.9 | Very low | 43.6 | Very low | 86 Ų | 86 | 108.9 Ų | 108.9 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | trans | -146.1 | 107.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 222 | V | 33.4 | Very low | 41 | Very low | 133 Ų | 133 | 108.7 Ų | 108.7 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | trans | 51.4 | 96.7 | 137.5 | -168.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 223 | T | 32.6 | Very low | 38.5 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | trans | 7.7 | 139.5 | 134.7 | 59.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 224 | N | 31.2 | Very low | 36.3 | Very low | 145 Ų | 145 | 115.6 Ų | 115.6 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | 67.7 | 100.3 | 147.7 | -57.8 | -5 | 0 | 0 | 0 | 118.6 | ||||
| 225 | N | 31.7 | Very low | 34.2 | Very low | 167 Ų | 167 | 116.4 Ų | 116.4 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | -160.4 | 145.2 | 112.3 | -102.1 | -20.8 | 0 | 0 | 0 | 112.1 | |||||
| 226 | S | 28.5 | Very low | 32.6 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | -99 | -175 | 171.2 | 57 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 227 | S | 32.8 | Very low | 31.6 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 95.9 | 103.5 | 175.5 | -166 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 228 | A | 29.7 | Very low | 31.1 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | trans | -1.4 | 143 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 229 | H | 32.3 | Very low | 31.1 | Very low | 177 Ų | 177 | 126.3 Ų | 126.3 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | -165.7 | 142.8 | 92.6 | -108.8 | -85.2 | 0 | 0 | 0 | 113.8 | |||||
| 230 | Y | 27.2 | Very low | 31.2 | Very low | 212 Ų | 212 | 128.9 Ų | 128.9 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -84.9 | 119 | 164.1 | -121.8 | -108.4 | 0 | 0 | 0 | 108.7 | ||||
| 231 | T | 33.3 | Very low | 31.2 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -166.5 | 135.2 | 149.1 | 32 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 232 | G | 28.9 | Very low | 31.2 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -92 | -178.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 233 | S | 29.9 | Very low | 31.2 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 88.5 | 140.3 | 161.7 | -135.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 234 | F | 30.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | 61.4 | 86.7 | 166 | -63.2 | -64 | 0 | 0 | 0 | 121.2 | ||||
| 235 | T | 29.1 | Very low | 31.4 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | 55.2 | 138.8 | 118.5 | 53.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 236 | P | 30.1 | Very low | 31.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -97.5 | 159 | -163.7 | 38.9 | -37.2 | 0 | 0 | 0 | 115.7 | ||||
| 237 | T | 32.3 | Very low | 31.8 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -135.6 | 122 | 156.2 | -3.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 238 | S | 31.6 | Very low | 32 | Very low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 78% | 0.776 | S | S | * | * | trans | -66.6 | 155 | -176.7 | 41 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 239 | H | 35.7 | Very low | 32.3 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | 149.9 | 138.3 | 117 | -77.7 | -61.6 | 0 | 0 | 0 | 115.2 | |||||
| 240 | T | 34.5 | Very low | 32.3 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 54.1 | 116.4 | 152.7 | 54.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 241 | D | 30 | Very low | 33 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | cis | 95.3 | 138.4 | 38.9 | -171.5 | 36.1 | 0 | 0 | 0 | 115.2 | ||||
| 242 | S | 30 | Very low | 33.4 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 69.5 | 125.6 | 172.8 | 80.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 243 | G | 33.6 | Very low | 34.1 | Very low | 82 Ų | 82 | 145.3 Ų | 145.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -165 | 28.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 244 | S | 35.1 | Very low | 34.9 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -57.1 | 143.9 | -171.3 | 65.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 245 | K | 33.5 | Very low | 35.3 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | 151.2 | 106.4 | 124.5 | -79.3 | 149.8 | -166.4 | 163.6 | 0 | 115.3 | |||||
| 246 | K | 35.9 | Very low | 35.8 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | 162.8 | 162.9 | 127.5 | -89.6 | 159.2 | -176.7 | 172.5 | 0 | 111.1 | |||||
| 247 | K | 33.1 | Very low | 36.3 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | cis | 173.8 | 97.5 | -36.9 | 178.3 | 179.4 | -174.2 | -179.7 | 0 | 108.7 | ||||
| 248 | R | 35.2 | Very low | 36.4 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 158 | 122.9 | 158.7 | -90.2 | 156.6 | 82 | 120.8 | 3.2 | 107.7 | ||||
| 249 | R | 36.2 | Very low | 36.7 | Very low | 222 Ų | 222 | 141.5 Ų | 141.5 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | 68.1 | 137.4 | 74.7 | -81.5 | 179.1 | 141.6 | -109.8 | 5 | 112.7 | |||||
| 250 | R | 33.4 | Very low | 36.8 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | cis | 178.9 | 154.2 | -23.8 | -121.1 | -175.4 | -172.5 | -165.4 | 1.5 | 105.1 | ||||
| 251 | S | 40.4 | Very low | 37.2 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -65.5 | 170 | 174.8 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 252 | P | 43.5 | Very low | 37.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | -144.9 | 159.1 | 115 | 39.4 | -26.2 | 0 | 0 | 0 | 115.9 | |||||
| 253 | S | 42.9 | Very low | 37.8 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -95.5 | 162.5 | 162.3 | -36.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 254 | P | 46.1 | Very low | 38 | Very low | 129 Ų | 129 | 142 Ų | 142 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -91.4 | 168.1 | 159.3 | 35.9 | -30.6 | 0 | 0 | 0 | 112.1 | ||||
| 255 | S | 38.8 | Very low | 38 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -163.2 | 175.5 | -167.6 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 256 | A | 39.1 | Very low | 38.2 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | 76.4 | 149.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 257 | S | 41.1 | Very low | 38.1 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | cis | -170.9 | -179.4 | -18.9 | 55 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 258 | D | 34.9 | Very low | 38 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | cis | -156.2 | -173.7 | 6.9 | -156.2 | 42.4 | 0 | 0 | 0 | 106.7 | ||||
| 259 | S | 36.9 | Very low | 38 | Very low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | cis | -160 | 176.2 | 17 | -57 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 260 | T | 37.8 | Very low | 37.9 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | 48.6 | 133.1 | 132.9 | -66.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 261 | M | 43.4 | Very low | 38.1 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | cis | -163.7 | 176.6 | -8.3 | -102.3 | -52.5 | 159.9 | 0 | 0 | 108 | ||||
| 262 | P | 41.7 | Very low | 37.7 | Very low | 103 Ų | 103 | 126 Ų | 126 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | trans | -134.1 | -152.2 | -143.1 | 44.7 | -25 | 0 | 0 | 0 | 114.7 | ||||
| 263 | N | 31.9 | Very low | 37.3 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | 78.1 | 151 | 165 | -117 | -16.5 | 0 | 0 | 0 | 113.9 | ||||
| 264 | V | 38.2 | Very low | 36.8 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | cis | -140 | 120.4 | 21.3 | 172.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 265 | S | 34.1 | Very low | 36.3 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | 64.1 | 96.9 | 76.8 | 156.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 266 | G | 37.9 | Very low | 35.9 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | 170.5 | 106.7 | 159 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 267 | K | 33.3 | Very low | 35.6 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | 70.7 | 133.7 | 64.7 | -68.5 | 169.1 | -176.7 | 153.2 | 0 | 113.1 | |||||
| 268 | K | 32.5 | Very low | 35.1 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | cis | 179.9 | 164.2 | -6.6 | -165 | 175.6 | -174.1 | 169.7 | 0 | 108.8 | ||||
| 269 | R | 35.1 | Very low | 35.1 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 86.7 | 150.6 | 158 | -57.4 | 179.6 | 145.9 | 173.5 | -7.4 | 118.1 | ||||
| 270 | R | 32.5 | Very low | 34.7 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | cis | -162.1 | 162.3 | -22.6 | -113.3 | -172.7 | 171.2 | -180 | -7 | 110.3 | ||||
| 271 | P | 37.9 | Very low | 34.4 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -110.3 | 178.4 | -176.4 | 42.3 | -34.7 | 0 | 0 | 0 | 115.5 | ||||
| 272 | G | 31.9 | Very low | 33.9 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 122.7 | 152.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 273 | S | 35.4 | Very low | 33.7 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -166.8 | 147.4 | -4.9 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 274 | S | 32.5 | Very low | 33.7 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 43 | 126.8 | 147 | 61 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 275 | F | 34.9 | Very low | 33.5 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -154.8 | 158.3 | 119.8 | -160.4 | -114.4 | 0 | 0 | 0 | 112.2 | |||||
| 276 | T | 32 | Very low | 33.9 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -132.5 | 139.9 | 177.9 | 49.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 277 | G | 31.9 | Very low | 33.5 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -177.1 | 105.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 278 | S | 31.4 | Very low | 33.3 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -85 | 148.3 | 170.7 | -40.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 279 | H | 34.6 | Very low | 33.4 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -162.1 | 153.8 | 140.3 | -118.5 | -70.7 | 0 | 0 | 0 | 113.6 | ||||
| 280 | E | 28.2 | Very low | 33.1 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -87.7 | 156.3 | -173.5 | -28.9 | 150 | 108.6 | 0 | 0 | 113.8 | ||||
| 281 | R | 31.7 | Very low | 33.1 | Very low | 223 Ų | 223 | 129.5 Ų | 129.5 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | 163 | 117.7 | 123.9 | -87.4 | 155.4 | -171.5 | -141.3 | -1.9 | 109.6 | |||||
| 282 | S | 32.7 | Very low | 32.7 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | 71.7 | 94.9 | 70.7 | -171.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 283 | S | 37.2 | Very low | 32.5 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -164.4 | 110.2 | 148 | -85 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 284 | R | 32.5 | Very low | 32.2 | Very low | 236 Ų | 236 | 138.6 Ų | 138.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | 51 | 114.2 | 122.5 | -61.8 | 167.9 | 176.4 | 171.5 | -2.3 | 119 | |||||
| 285 | G | 34.2 | Very low | 32.1 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -87 | 178.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 286 | P | 41.5 | Very low | 32.1 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -131.2 | 124.8 | 135.8 | 37.9 | -27 | 0 | 0 | 0 | 110 | ||||
| 287 | S | 30.3 | Very low | 32 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 87.5 | 127.8 | 85 | 80.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 288 | N | 28.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -9.1 | 121.9 | 158 | -58.4 | -12.2 | 0 | 0 | 0 | 117.6 | ||||
| 289 | H | 34.9 | Very low | 32.5 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | -164.8 | 151.6 | 116 | -87.1 | -64.2 | 0 | 0 | 0 | 108.1 | |||||
| 290 | G | 27.8 | Very low | 32.3 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | cis | 150.7 | 64.7 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 291 | G | 32.2 | Very low | 32.6 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | trans | 157 | 112 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 292 | S | 30 | Very low | 32.4 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | cis | 65.9 | 85.4 | 10.1 | -163.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 293 | R | 28.8 | Very low | 32.1 | Very low | 225 Ų | 225 | 137.4 Ų | 137.4 | 85% | 0.849 | 74% | 0.737 | S | S | * | * | trans | 168 | 139.3 | 152.4 | -96.4 | 175.3 | -72.5 | 174.9 | 0.3 | 107.5 | ||||
| 294 | K | 27.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | cis | -164.7 | 154.3 | -7.1 | -134.9 | -179.2 | -175.9 | -164.4 | 0 | 110.2 | ||||
| 295 | I | 30.5 | Very low | 31.2 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | trans | 38.2 | 124.9 | 136.3 | -71.4 | 171.8 | 0 | 0 | 0 | 116.7 | ||||
| 296 | R | 34.4 | Very low | 30.7 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 75% | 0.751 | 72% | 0.722 | S | S | * | * | -141.2 | 141.1 | 61.8 | -155.5 | 156.5 | 178.6 | 169.4 | -9.3 | 115.6 | E298 | R296-E298 VanDerWaalsContact CG-OE1 3.28Å; R296-E298 WeakPolarHBondContact CG-OE1 3.43Å; R296-E298 IonicContact CZ-OE1 3.47Å; R296-E298 IonicContact CZ-OE2 3.16Å; R296-E298 IonicContact NE-OE1 2.72Å; R296-E298 PolarHBondContact NE-OE1 3.29Å; R296-E298 IonicContact NE-OE2 2.88Å; R296-E298 PolarHBondContact NE-OE2 2.76Å; R296-E298 IonicContact NH2-OE1 3.36Å; R296-E298 PolarHBondContact NH2-OE1 2.93Å; R296-E298 IonicContact NH2-OE2 2.68Å; R296-E298 PolarHBondContact NH2-OE2 2.89Å | |||
| 297 | K | 31.2 | Very low | 30 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 64% | 0.635 | 72% | 0.724 | S | S | * | * | trans | -120.8 | 124.8 | 170.4 | 168.7 | -171.7 | 174.8 | 177.8 | 0 | 106 | E300 | K297-E300 IonicContact NZ-OE1 2.73Å; K297-E300 PolarHBondContact NZ-OE1 3.1Å | ||
| 298 | E | 33.5 | Very low | 29.8 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 53% | 0.533 | 73% | 0.728 | S | S | . | * | trans | -163.6 | 125.6 | 171.4 | -95.8 | 135.7 | -109 | 0 | 0 | 103.7 | R296 | R296-E298 VanDerWaalsContact CG-OE1 3.28Å; R296-E298 WeakPolarHBondContact CG-OE1 3.43Å; R296-E298 IonicContact CZ-OE1 3.47Å; R296-E298 IonicContact CZ-OE2 3.16Å; R296-E298 IonicContact NE-OE1 2.72Å; R296-E298 PolarHBondContact NE-OE1 3.29Å; R296-E298 IonicContact NE-OE2 2.88Å; R296-E298 PolarHBondContact NE-OE2 2.76Å; R296-E298 IonicContact NH2-OE1 3.36Å; R296-E298 PolarHBondContact NH2-OE1 2.93Å; R296-E298 IonicContact NH2-OE2 2.68Å; R296-E298 PolarHBondContact NH2-OE2 2.89Å | ||
| 299 | D | 39.7 | Very low | 29.8 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | cis | -144.5 | 161.7 | 2.7 | -72.3 | -54.8 | 0 | 0 | 0 | 112.6 | ||||
| 300 | E | 31.5 | Very low | 29.8 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | trans | -108.1 | 133.2 | 154.9 | -76.8 | 161.4 | -146.7 | 0 | 0 | 106.4 | K297 | K297-E300 IonicContact NZ-OE1 2.73Å; K297-E300 PolarHBondContact NZ-OE1 3.1Å | ||
| 301 | D | 34.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -162.6 | 132.6 | 163.2 | -96.5 | -31.3 | 0 | 0 | 0 | 105.4 | ||||
| 302 | E | 27.1 | Very low | 29.7 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | 53.5 | 131.8 | 66.1 | -65.5 | -72.9 | 130.4 | 0 | 0 | 110.2 | |||||
| 303 | S | 26.8 | Very low | 30 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 53% | 0.531 | 71% | 0.709 | S | S | . | * | cis | 166.5 | -178.3 | 12.8 | 45.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 304 | F | 26 | Very low | 30.2 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | 61.4 | 129.7 | 170.9 | -67.5 | -92.4 | 0 | 0 | 0 | 117.2 | ||||
| 305 | S | 24.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 71% | 0.709 | S | S | * | * | 68.3 | 137.3 | 50.7 | -176.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 306 | C | 22.2 | Very low | 30.7 | Very low | 89 Ų | 89 | 135 Ų | 135 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | cis | -172.2 | 155.7 | -10.1 | -105.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 307 | Q | 27.5 | Very low | 30.7 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | 64.7 | 155.4 | 154.6 | -64.8 | 161.3 | 47.2 | 0 | 0 | 115.4 | ||||
| 308 | T | 27 | Very low | 31 | Very low | 136 Ų | 136 | 131 Ų | 131 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | cis | -157.1 | 141.2 | -5.9 | 9.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 309 | G | 28.1 | Very low | 30.9 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | 179.8 | 133 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 310 | P | 34.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | trans | -125.3 | 171.2 | -147 | 43.7 | -31.4 | 0 | 0 | 0 | 116.8 | ||||
| 311 | Q | 27.8 | Very low | 31.1 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 71.2 | 146.5 | 165.6 | -63.1 | -176.9 | -89.9 | 0 | 0 | 116.7 | ||||
| 312 | D | 31 | Very low | 31.3 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | cis | -151.3 | 168 | -9.3 | -111.4 | -22.1 | 0 | 0 | 0 | 110.6 | ||||
| 313 | P | 35 | Very low | 31.7 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | trans | -97.5 | 179.5 | -163.3 | 37.2 | -37 | 0 | 0 | 0 | 117.1 | ||||
| 314 | N | 32.8 | Very low | 32.6 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 92.6 | 101.6 | 165.4 | -46.4 | -62.9 | 0 | 0 | 0 | 118 | ||||
| 315 | K | 34.8 | Very low | 33.1 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | 179.2 | 171 | 99.8 | -103 | -172.7 | 165.3 | -91.1 | 0 | 115 | |||||
| 316 | E | 34.2 | Very low | 33.6 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -64.4 | 167 | -167.4 | -61.6 | 123.4 | 137.3 | 0 | 0 | 118.5 | ||||
| 317 | D | 36 | Very low | 34.4 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 80.7 | 108.2 | 147.4 | -66.2 | -19.1 | 0 | 0 | 0 | 124.6 | ||||
| 318 | T | 36.2 | Very low | 34.8 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 74.2 | 125.8 | 136.1 | 59.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 319 | N | 31.6 | Very low | 35.5 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | 57.2 | 101.9 | 145.8 | -57.5 | -19.3 | 0 | 0 | 0 | 119.4 | ||||
| 320 | D | 35.3 | Very low | 36 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 94% | 0.941 | 75% | 0.754 | S | S | * | * | trans | -105 | 138.8 | 149.1 | -90 | -55 | 0 | 0 | 0 | 110.4 | ||||
| 321 | T | 40.4 | Very low | 36.1 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | trans | -109.7 | 149.3 | -177 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | I323 | T321-I323 PolarHBondContact O-N 2.83Å; T321-I323 VanDerWaalsContact O-N 3.16Å | ||
| 322 | D | 37.9 | Very low | 36.6 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -72.7 | 106.4 | 169.2 | -170 | -2.5 | 0 | 0 | 0 | 109.5 | ||||
| 323 | I | 36.9 | Very low | 36.7 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 67% | 0.672 | 76% | 0.762 | S | S | * | * | trans | -89.1 | 106.8 | -178.7 | -70 | 176.4 | 0 | 0 | 0 | 109.3 | T321 | T321-I323 PolarHBondContact O-N 2.83Å; T321-I323 VanDerWaalsContact O-N 3.16Å | ||
| 324 | T | 44.1 | Very low | 36.6 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -132 | 86.9 | 155.3 | -65 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 325 | K | 37.2 | Very low | 36.4 | Very low | 180 Ų | 180 | 148 Ų | 148 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 69.2 | 98.6 | 147.7 | -63.3 | 173.4 | -177.1 | 168.6 | 0 | 118.5 | ||||
| 326 | D | 34.2 | Very low | 36.2 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -39.7 | 134.8 | 138.5 | -30 | -105.6 | 0 | 0 | 0 | 112.4 | ||||
| 327 | F | 40.3 | Very low | 35.9 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | -171.2 | 143.6 | 116.1 | -112.8 | -76.4 | 0 | 0 | 0 | 109.9 | |||||
| 328 | D | 34.5 | Very low | 35.4 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 142 | -172.4 | -50.3 | -109 | 0 | 0 | 0 | 114.5 | ||||
| 329 | D | 43.2 | Very low | 35 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -134.2 | 107.4 | 156.3 | -153.9 | 5.1 | 0 | 0 | 0 | 109 | ||||
| 330 | P | 37.5 | Very low | 34.7 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -85.8 | 139.8 | -170.1 | 32 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 331 | E | 36.8 | Very low | 34.4 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -54.5 | 130.3 | 168 | -71.1 | -168.7 | 123.8 | 0 | 0 | 111.1 | P333 | E331-P333 VanDerWaalsContact O-CD 3.24Å; E331-P333 WeakPolarHBondContact O-CD 3.19Å | ||
| 332 | P | 39.7 | Very low | 33.7 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -76.2 | 114.2 | 168.8 | 29.3 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 333 | P | 31.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -87.1 | 166.9 | -172.6 | 34.3 | -34.1 | 0 | 0 | 0 | 113.4 | E331 | E331-P333 VanDerWaalsContact O-CD 3.24Å; E331-P333 WeakPolarHBondContact O-CD 3.19Å | ||
| 334 | N | 33.7 | Very low | 32.6 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 100.3 | 115 | 161.5 | -54.4 | -60.8 | 0 | 0 | 0 | 118.6 | ||||
| 335 | K | 28.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -64.5 | 137.3 | 164.7 | -57.1 | 160.4 | 179.2 | 169.8 | 0 | 110.9 | ||||
| 336 | I | 31.2 | Very low | 31.4 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -129 | 89.9 | 147.5 | -63.1 | -173 | 0 | 0 | 0 | 110 | ||||
| 337 | T | 26.9 | Very low | 31.1 | Very low | 97 Ų | 97 | 141 Ų | 141 | 60% | 0.595 | 79% | 0.793 | S | S | * | * | trans | 5 | 127.2 | 136.9 | -51.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 338 | Q | 25.9 | Very low | 30.5 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 152.3 | 156.9 | -69.3 | 163.4 | 18.2 | 0 | 0 | 115.6 | ||||
| 339 | I | 27.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | cis | -130.8 | 148.7 | 35.9 | -69 | 162.3 | 0 | 0 | 0 | 112.9 | S341 | I339-S341 PolarHBondContact O-N 3.13Š| ||
| 340 | T | 24.9 | Very low | 29.4 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -72 | 108.5 | 166.6 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | S342 | T340-S342 PolarHBondContact O-N 3.07Š| ||
| 341 | S | 29.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -82.6 | 94 | 163.5 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | I339 | I339-S341 PolarHBondContact O-N 3.13Š| ||
| 342 | S | 25.7 | Very low | 28.5 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 156.4 | 177.8 | 47.1 | 0 | 0 | 0 | 0 | 113.2 | T340 | T340-S342 PolarHBondContact O-N 3.07Š| ||
| 343 | N | 26.3 | Very low | 28.2 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 2.1 | 128.9 | 160.3 | -55.3 | -5.7 | 0 | 0 | 0 | 119 | ||||
| 344 | S | 26.7 | Very low | 28.2 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -151.1 | 96.3 | 133.4 | 39.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 345 | S | 27.3 | Very low | 28.2 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -81.3 | 121.8 | 157 | 42.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 346 | T | 28.4 | Very low | 28.3 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -137.5 | 111.7 | 173 | -33.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 347 | T | 27.7 | Very low | 28.4 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -90.1 | 162.2 | 168.9 | 43.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 348 | S | 26.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | 68.1 | 151.6 | -171.6 | 84 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 349 | G | 26.4 | Very low | 28.7 | Very low | 59 Ų | 59 | 132.1 Ų | 132.1 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | cis | 176.9 | 169.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 350 | F | 28.3 | Very low | 29 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 69.4 | 114.2 | 175.3 | -63.8 | -86.1 | 0 | 0 | 0 | 118.8 | ||||
| 351 | N | 26.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 18.7 | 119.6 | 131.1 | -49.6 | -38.3 | 0 | 0 | 0 | 116.1 | ||||
| 352 | V | 29.3 | Very low | 29.3 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | -165.4 | 146.3 | 72.9 | 150.6 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 353 | S | 33.9 | Very low | 29.3 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -148.2 | -161.6 | 28.7 | -154.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 354 | R | 31 | Very low | 29.5 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -130.1 | 153.5 | 171.1 | -162.5 | 156.7 | 176.6 | -92.2 | 4.1 | 105.6 | T356 | R354-T356 HydrophobicContact CG-CG2 4.07Š| ||
| 355 | P | 34.7 | Very low | 29.6 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | -152.9 | 123.6 | 54.2 | 37.6 | -13.3 | 0 | 0 | 0 | 120.4 | |||||
| 356 | T | 29.5 | Very low | 29.6 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 49% | 0.491 | 76% | 0.762 | S | S | . | * | 23.2 | 134.3 | 125.8 | 54.9 | 0 | 0 | 0 | 0 | 121.9 | R354 | R354-T356 HydrophobicContact CG-CG2 4.07Š| |||
| 357 | R | 33.2 | Very low | 29.5 | Very low | 232 Ų | 232 | 134.3 Ų | 134.3 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | -153.8 | 119.1 | 109.7 | -93.2 | 167 | 83.1 | 165.8 | 3.8 | 107 | |||||
| 358 | T | 31.8 | Very low | 29.6 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | 52.7 | 134 | 69.7 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 359 | N | 27.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | -177.3 | 171.1 | -12.2 | -125.6 | 34.4 | 0 | 0 | 0 | 105.8 | ||||
| 360 | N | 33.8 | Very low | 29.9 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 70.6 | 128.9 | 166.3 | -52.1 | -12.2 | 0 | 0 | 0 | 114.6 | ||||
| 361 | S | 27.8 | Very low | 30 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | cis | 98.2 | 161.1 | 43.1 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 362 | I | 32.5 | Very low | 30.2 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | 98.6 | 127.3 | 173.5 | -55.1 | 168.6 | 0 | 0 | 0 | 116.2 | ||||
| 363 | N | 25.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -80.1 | 142 | 177.8 | -51.9 | -32.9 | 0 | 0 | 0 | 112.5 | ||||
| 364 | A | 31 | Very low | 30.3 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -170.1 | 133.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 365 | S | 27.7 | Very low | 30.3 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | cis | 125.8 | 117.5 | 6.1 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 366 | H | 27.8 | Very low | 30.5 | Very low | 181 Ų | 181 | 125.9 Ų | 125.9 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | 65.5 | 118.8 | 154 | -75.6 | -71.5 | 0 | 0 | 0 | 123.2 | ||||
| 367 | S | 26.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | 90.5 | 142.7 | 118.6 | 74.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 368 | G | 29.3 | Very low | 30.7 | Very low | 84 Ų | 84 | 121.4 Ų | 121.4 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | 89.6 | 139.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 369 | G | 28.2 | Very low | 30.9 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | cis | 161.4 | 149.5 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 370 | G | 31.9 | Very low | 31.1 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 93.8 | 116 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 371 | E | 29.7 | Very low | 31.5 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | 100.9 | 141.4 | 16.4 | -150.5 | -155.7 | 136.4 | 0 | 0 | 115.2 | ||||
| 372 | L | 31 | Very low | 32.1 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 75.9 | 132.4 | 173.2 | -54.4 | 171.9 | 0 | 0 | 0 | 117.3 | I374 | L372-I374 HydrophobicContact CD2-CD1 4.03Š| ||
| 373 | G | 33.9 | Very low | 32.3 | Very low | 60 Ų | 60 | 127.9 Ų | 127.9 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | cis | -157.8 | 151.1 | -3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 374 | I | 30.6 | Very low | 32.8 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | 60.1 | 112.9 | 97.7 | -53.9 | 159.7 | 0 | 0 | 0 | 111.7 | L372 | L372-I374 HydrophobicContact CD2-CD1 4.03Š| |||
| 375 | G | 31.4 | Very low | 32.9 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | cis | 177.5 | -164.5 | 15.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 376 | K | 39.8 | Very low | 33.1 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | cis | -151.6 | 153 | 12.9 | -53.4 | 171.9 | 178.5 | 171.5 | 0 | 110.6 | ||||
| 377 | S | 32.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | 48 | 113.5 | 130.5 | 73.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 378 | L | 33 | Very low | 33.6 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 63% | 0.634 | 77% | 0.768 | S | S | * | * | 78.3 | 118.3 | 75.9 | 176.4 | 74.9 | 0 | 0 | 0 | 112.5 | |||||
| 379 | F | 36.4 | Very low | 33.8 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | -170.8 | 128.9 | 121.8 | -91 | -62.3 | 0 | 0 | 0 | 108.9 | |||||
| 380 | D | 33.1 | Very low | 34 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -84.6 | -155.9 | 172 | -54 | -83.7 | 0 | 0 | 0 | 110.7 | ||||
| 381 | L | 41.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 83.1 | 132.8 | 177.6 | -47.1 | -177.7 | 0 | 0 | 0 | 114.1 | ||||
| 382 | D | 40.4 | Very low | 34.7 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | cis | -149.6 | 175.4 | -1 | -98.9 | -30.1 | 0 | 0 | 0 | 111.6 | ||||
| 383 | E | 37.1 | Very low | 34.7 | Very low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -77.6 | 174 | -178.6 | -65 | 171.5 | 116.6 | 0 | 0 | 114.7 | ||||
| 384 | D | 36 | Very low | 34.7 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 62.5 | 123.3 | 159.8 | -61.7 | -20.1 | 0 | 0 | 0 | 121.7 | ||||
| 385 | N | 33.2 | Very low | 34.7 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | 173.3 | 132.6 | 100.3 | -176.3 | 50.6 | 0 | 0 | 0 | 112.5 | T387 | N385-T387 PolarHBondContact ND2-OG1 2.85Å; N385-T387 VanDerWaalsContact ND2-OG1 3.13Å | |||
| 386 | E | 31.1 | Very low | 34.7 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -85.1 | 136.7 | 165.9 | -64 | -171.9 | 130 | 0 | 0 | 111 | ||||
| 387 | T | 34.4 | Very low | 34.2 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | -169.2 | 116.1 | 149.5 | 2.6 | 0 | 0 | 0 | 0 | 115.5 | N385 | N385-T387 PolarHBondContact ND2-OG1 2.85Å; N385-T387 VanDerWaalsContact ND2-OG1 3.13Å | ||
| 388 | T | 31.7 | Very low | 34.1 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | 34.2 | 138.1 | 133.6 | 61.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 389 | G | 33.4 | Very low | 34 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | 134.3 | 105.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 390 | D | 31.7 | Very low | 33.9 | Very low | 171 Ų | 171 | 136 Ų | 136 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | 87.2 | 137.4 | 62.9 | -77.8 | -46.3 | 0 | 0 | 0 | 115.3 | |||||
| 391 | A | 34.5 | Very low | 33.7 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -61.7 | 157.2 | -160.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 392 | M | 41.8 | Very low | 33.3 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -179.2 | 133.8 | 135.5 | -94.7 | 165.6 | -162.8 | 0 | 0 | 107.3 | ||||
| 393 | D | 30.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | cis | 89.3 | 142.5 | 40.2 | -166.9 | 35.8 | 0 | 0 | 0 | 114.6 | ||||
| 394 | G | 34.4 | Very low | 32.6 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 89 | 133.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 395 | G | 31.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | 107.7 | 141.7 | 18.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 396 | L | 31.9 | Very low | 32.2 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | cis | -156.9 | 155 | 3.2 | -91.9 | 166 | 0 | 0 | 0 | 110.3 | ||||
| 397 | N | 29.2 | Very low | 32.2 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | trans | 50.5 | 133.3 | 141.9 | -73.7 | 28.2 | 0 | 0 | 0 | 125.5 | ||||
| 398 | E | 28.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 58% | 0.584 | 77% | 0.774 | S | S | * | * | trans | 64.6 | 150.9 | 133.8 | -57.3 | 170 | 104.5 | 0 | 0 | 118.8 | ||||
| 399 | Y | 31.5 | Very low | 31.9 | Very low | 164 Ų | 164 | 117.2 Ų | 117.2 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -156 | 154 | 30.9 | -88.8 | -72.6 | 0 | 0 | 0 | 113.3 | ||||
| 400 | H | 33.7 | Very low | 31.7 | Very low | 165 Ų | 165 | 122 Ų | 122 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 60.6 | 153 | 145 | -70.3 | -44.5 | 0 | 0 | 0 | 122 | ||||
| 401 | T | 29.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | cis | -170.9 | 143 | -28.8 | -106.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 402 | S | 32.2 | Very low | 31.3 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | 64.3 | 161.6 | 163.9 | 72.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 403 | G | 31.6 | Very low | 30.6 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | trans | -176.9 | -95.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 404 | G | 30.6 | Very low | 30.5 | Very low | 72 Ų | 72 | 116.4 Ų | 116.4 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 98.6 | 149.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 405 | I | 31.3 | Very low | 30.4 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | 50.7 | 110.7 | 147.5 | 20.8 | 173.8 | 0 | 0 | 0 | 121.2 | ||||
| 406 | S | 30.6 | Very low | 30 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 158.7 | 143.3 | 99.6 | -68.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 407 | G | 30 | Very low | 30.2 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | trans | 66.8 | 117.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 408 | A | 27.9 | Very low | 30.3 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | cis | 77.8 | 140.6 | 44.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 409 | G | 32.4 | Very low | 30.2 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 100.9 | 95.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 410 | E | 30.5 | Very low | 30.3 | Very low | 166 Ų | 166 | 121.9 Ų | 121.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 92.7 | 100.4 | 56.2 | -72 | -167.1 | 135.8 | 0 | 0 | 115 | |||||
| 411 | M | 29 | Very low | 30.2 | Very low | 145 Ų | 145 | 121.6 Ų | 121.6 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | 39.4 | 135.1 | 139.9 | 53.4 | 173.1 | 158.2 | 0 | 0 | 124.1 | ||||
| 412 | N | 28.7 | Very low | 30.5 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | 79 | 102.5 | 140.4 | -92.2 | -32.9 | 0 | 0 | 0 | 122.1 | ||||
| 413 | S | 26.8 | Very low | 30.4 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | 72.8 | 141.4 | 109.2 | -66.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 414 | T | 28.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 59.9 | 118.3 | 156 | 50.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 415 | N | 31.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | -151.7 | 147.1 | 52.9 | -80.4 | -66 | 0 | 0 | 0 | 114.8 | |||||
| 416 | C | 24.1 | Very low | 30.6 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 177 | 151.8 | -72.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 417 | P | 36.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -129.7 | 175.1 | -41.2 | 35.9 | -22.2 | 0 | 0 | 0 | 111.1 | ||||
| 418 | Q | 31.1 | Very low | 30.9 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -156.1 | 150.8 | 147.2 | -119.4 | 163.7 | 20.5 | 0 | 0 | 113.8 | ||||
| 419 | N | 27.1 | Very low | 31.2 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 154.2 | -165.6 | -53.4 | -26.7 | 0 | 0 | 0 | 113.5 | ||||
| 420 | G | 32.8 | Very low | 31.1 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -168.3 | 124 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 421 | D | 31.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -63.9 | 154.3 | 175.4 | -54 | -89.6 | 0 | 0 | 0 | 110.9 | ||||
| 422 | E | 35.2 | Very low | 31.8 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | -167.2 | 159.2 | 70.2 | -78.6 | -166.6 | 129.9 | 0 | 0 | 113.6 | |||||
| 423 | N | 31.5 | Very low | 32.3 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -16.1 | 137.3 | 163.2 | -80.5 | -72.6 | 0 | 0 | 0 | 119.1 | ||||
| 424 | R | 33.3 | Very low | 33.1 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | -175.3 | 137.8 | 107.4 | -99.7 | 178.2 | -179.3 | -134.9 | 3.7 | 115.5 | |||||
| 425 | Q | 30 | Very low | 34.3 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | 39.3 | 120.4 | 156.8 | -76.8 | 86.3 | 57.8 | 0 | 0 | 120.7 | ||||
| 426 | G | 33.5 | Very low | 35.4 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 175.4 | 48.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | I428 | G426-I428 PolarHBondContact O-N 2.85Š| ||
| 427 | V | 30.8 | Very low | 37.2 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -73.4 | 118.2 | -178.5 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 428 | I | 36.1 | Very low | 38.9 | Very low | 158 Ų | 158 | 141 Ų | 141 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -148.7 | 125.6 | 135.8 | -63.6 | -165.5 | 0 | 0 | 0 | 109.3 | G426 | G426-I428 PolarHBondContact O-N 2.85Š| ||
| 429 | H | 33.6 | Very low | 41.1 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 26.9 | 115.6 | 164.3 | -91.5 | -77.6 | 0 | 0 | 0 | 122.4 | ||||
| 430 | T | 31.9 | Very low | 43.8 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | trans | -84.7 | -176.3 | 131.8 | 56 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 431 | D | 32.4 | Very low | 46.4 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | trans | 87.3 | 145.7 | 166.4 | -46.7 | -5.8 | 0 | 0 | 0 | 115.9 | ||||
| 432 | L | 42.1 | Very low | 49.1 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 90% | 0.901 | 70% | 0.698 | S | S | * | * | trans | 67.5 | 122.8 | -164.7 | -69.4 | 69.7 | 0 | 0 | 0 | 113.6 | ||||
| 433 | S | 38.3 | Very low | 51.8 | Low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | cis | -149.9 | 130 | -6.2 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | T435 | S433-T435 VanDerWaalsContact C-N 3.3Å; S433-T435 PolarHBondContact O-N 3.33Å | ||
| 434 | V | 44.5 | Very low | 54.7 | Low | 147 Ų | 147 | 115.1 Ų | 115.1 | 89% | 0.891 | 64% | 0.638 | S | S | * | * | trans | -75.8 | 92.7 | 162.9 | 179.2 | 0 | 0 | 0 | 0 | 105.7 | E436 | V434-E436 PolarHBondContact O-N 2.8Š| ||
| 435 | T | 52.3 | Low | 57.6 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | trans | -60 | 123 | 171.8 | 40 | 0 | 0 | 0 | 0 | 108.6 | S433 Q437 L492 | S433-T435 VanDerWaalsContact C-N 3.3Å; S433-T435 PolarHBondContact O-N 3.33Å; T435-Q437 PolarHBondContact O-N 3.29Å; T435-L492 HydrophobicContact CG2-CD2 4.38Å | ||
| 436 | E | 55.7 | Low | 60.7 | Low | 186 Ų | 186 | 108.3 Ų | 108.3 | 87% | 0.869 | 62% | 0.623 | S | S | * | * | trans | -58.7 | 124.5 | 177.6 | -170.2 | 168.1 | -150.1 | 0 | 0 | 108.7 | V434 A438 | V434-E436 PolarHBondContact O-N 2.8Å; E436-A438 VanDerWaalsContact C-N 3.27Å; E436-A438 PolarHBondContact O-N 2.8Å | ||
| 437 | Q | 62.1 | Low | 63.6 | Low | 107 Ų | 107 | 104.7 Ų | 104.7 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | trans | -73.4 | 79.3 | -167.3 | -167.3 | 83.8 | 80 | 0 | 0 | 110.7 | T435 H439 I441 R491 | T435-Q437 PolarHBondContact O-N 3.29Å; Q437-H439 PolarHBondContact O-N 3.46Å; Q437-I441 HydrophobicContact CG-CD1 4.3Å; Q437-R491 PolarHBondContact NE2-O 2.94Å | ||
| 438 | A | 71.3 | Confident | 66.6 | Low | 86 Ų | 86 | 102 Ų | 102 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | trans | -62.7 | -15.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E436 | E436-A438 VanDerWaalsContact C-N 3.27Å; E436-A438 PolarHBondContact O-N 2.8Å | ||
| 439 | H | 77.6 | Confident | 69.4 | Low | 81 Ų | 81 | 96.8 Ų | 96.8 | 38% | 0.375 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -126.5 | 137 | -177.3 | -61.6 | -63.9 | 0 | 0 | 0 | 111.7 | Q437 I441 L492 P494 | Q437-H439 PolarHBondContact O-N 3.46Å; H439-I441 PolarHBondContact O-N 2.99Å; H439-L492 PolarHBondContact CD2-O 2.76Å; H439-L492 VanDerWaalsContact CD2-O 3.29Å; H439-P494 HydrophobicContact CB-CG 3.87Å |
| 440 | C | 83.1 | Confident | 72.4 | Confident | 108 Ų | 108 | 90.3 Ų | 90.3 | 73% | 0.73 | 52% | 0.518 | S | S | * | . | trans | -68.8 | 115 | 170.2 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | Q530 | C440-Q530 PolarHBondContact O-NE2 2.87Š| ||
| 441 | I | 87.5 | Confident | 75.4 | Confident | 44 Ų | 44 | 88.4 Ų | 88.4 | 23% | 0.226 | 50% | 0.504 | C | S | . | . | trans | -82.1 | 130.6 | 174.6 | -53.1 | 158.2 | 0 | 0 | 0 | 108.5 | Q437 H439 I443 R491 | Q437-I441 HydrophobicContact CG-CD1 4.3Å; H439-I441 PolarHBondContact O-N 2.99Å; I441-I443 HydrophobicContact CG2-CD1 4.46Å; I441-I443 HydrophobicContact CG2-CG1 3.99Å; I441-R491 HydrophobicContact CD1-CB 4.18Å; I441-R491 HydrophobicContact CD1-CG 3.6Å; I441-R491 HydrophobicContact CG1-CG 4.08Å | ||
| 442 | V | 89.4 | Confident | 78.3 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | trans | -107.4 | 131.1 | 169.5 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | Y529 Q530 | V442-Y529 HydrophobicContact CB-CD1 4.47Å; V442-Y529 HydrophobicContact CG1-CD1 4.28Å; V442-Y529 HydrophobicContact CG1-CE1 3.87Å; V442-Q530 HydrophobicContact CB-CG 4.03Å; V442-Q530 HydrophobicContact CG2-CG 4.44Å; V442-Q530 VanDerWaalsContact N-CD 3.31Å | ||
| 443 | I | 90.7 | Very high | 80.8 | Confident | 73 Ų | 73 | 84 Ų | 84 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | trans | -122.4 | 136.4 | 178.2 | -57.6 | 179.5 | 0 | 0 | 0 | 108 | I441 L526 | I441-I443 HydrophobicContact CG2-CD1 4.46Å; I441-I443 HydrophobicContact CG2-CG1 3.99Å; I443-L526 HydrophobicContact CG2-CD2 4.15Å | ||
| 444 | P | 93.1 | Very high | 83.4 | Confident | 7 Ų | 7 | 81.6 Ų | 81.6 | 5% | 0.045 | 46% | 0.462 | C | S | . | . | trans | -63 | 148 | 176.8 | -19.5 | 30 | 0 | 0 | 0 | 113.2 | Y446 S447 G525 Y529 | P444-Y446 VanDerWaalsContact C-N 3.28Å; P444-Y446 HydrophobicContact CB-CD1 3.79Å; P444-Y446 HydrophobicContact CB-CD2 4.01Å; P444-Y446 HydrophobicContact CB-CE1 3.41Å; P444-Y446 VanDerWaalsContact CB-CE1 3.41Å; P444-Y446 HydrophobicContact CB-CE2 3.64Å; P444-Y446 HydrophobicContact CB-CG 4.08Å; P444-Y446 HydrophobicContact CG-CE1 4.21Å; P444-Y446 HydrophobicContact CG-CE2 3.96Å; P444-Y446 PolarHBondContact O-N 2.67Å; P444-S447 PolarHBondContact O-N 3.25Å; P444-G525 WeakPolarHBondContact CD-O 3.42Å; P444-Y529 HydrophobicContact CG-CD1 4.22Å; P444-Y529 HydrophobicContact CG-CD2 3.87Å; P444-Y529 HydrophobicContact CG-CE1 4.1Å; P444-Y529 HydrophobicContact CG-CE2 3.73Å; P444-Y529 HydrophobicContact CG-CG 4.12Å | ||
| 445 | S | 93.9 | Very high | 85.9 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 77% | 0.769 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -59.6 | -36.1 | 178.3 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | S447 A448 | S445-S447 PolarHBondContact O-N 3.33Å; S445-A448 WeakPolarHBondContact O-CB 3.2Å; S445-A448 PolarHBondContact O-N 3.16Å |
| 446 | Y | 94.7 | Very high | 87.9 | Confident | 121 Ų | 121 | 75.6 Ų | 75.6 | 48% | 0.475 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -67.9 | -11.4 | 176 | 55.7 | -103.2 | 0 | 0 | 0 | 113.9 | P444 W449 W524 | P444-Y446 VanDerWaalsContact C-N 3.28Å; P444-Y446 HydrophobicContact CB-CD1 3.79Å; P444-Y446 HydrophobicContact CB-CD2 4.01Å; P444-Y446 HydrophobicContact CB-CE1 3.41Å; P444-Y446 VanDerWaalsContact CB-CE1 3.41Å; P444-Y446 HydrophobicContact CB-CE2 3.64Å; P444-Y446 HydrophobicContact CB-CG 4.08Å; P444-Y446 HydrophobicContact CG-CE1 4.21Å; P444-Y446 HydrophobicContact CG-CE2 3.96Å; P444-Y446 PolarHBondContact O-N 2.67Å; Y446-W449 PolarHBondContact O-NE1 2.81Å; Y446-W524 AromaticContact CD2-CE3 3.88Å; Y446-W524 HydrophobicContact CD2-CE3 3.88Å; Y446-W524 HydrophobicContact CD2-CZ3 4.11Å; Y446-W524 HydrophobicContact CE2-CE3 4.43Å; Y446-W524 WeakPolarHBondContact O-CZ3 3.5Å |
| 447 | S | 94.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -105.7 | 9.7 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | P444 S445 W449 F450 W524 | P444-S447 PolarHBondContact O-N 3.25Å; S445-S447 PolarHBondContact O-N 3.33Å; S447-W449 PolarHBondContact O-N 3.4Å; S447-F450 WeakPolarHBondContact O-CB 3.42Å; S447-F450 PolarHBondContact O-N 2.84Å; S447-W524 WeakPolarHBondContact CB-O 3.25Å; S447-W524 PolarHBondContact OG-O 2.87Å |
| 448 | A | 93.5 | Very high | 91.4 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S445 F450 | S445-A448 WeakPolarHBondContact O-CB 3.2Å; S445-A448 PolarHBondContact O-N 3.16Å; A448-F450 VanDerWaalsContact C-N 3.3Å |
| 449 | W | 95.2 | Very high | 92.6 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.3 | 170.7 | 61.6 | -102.3 | 0 | 0 | 0 | 113.6 | Y446 S447 D451 H456 I458 E459 F520 W524 L526 | Y446-W449 PolarHBondContact O-NE1 2.81Å; S447-W449 PolarHBondContact O-N 3.4Å; W449-D451 PolarHBondContact O-N 2.77Å; W449-H456 AromaticContact CD2-ND1 3.4Å; W449-H456 HydrophobicContact CE3-CB 3.46Å; W449-H456 VanDerWaalsContact CE3-CB 3.46Å; W449-H456 AromaticContact CE3-CG 3.47Å; W449-H456 VanDerWaalsContact CE3-CG 3.47Å; W449-H456 AromaticContact CE3-ND1 3.13Å; W449-H456 AromaticContact CG-CE1 3.86Å; W449-H456 AromaticContact CG-ND1 3.7Å; W449-H456 HydrophobicContact CZ3-CB 3.7Å; W449-H456 AromaticContact CZ3-ND1 3.95Å; W449-I458 HydrophobicContact CD2-CD1 3.92Å; W449-I458 HydrophobicContact CG-CD1 3.87Å; W449-I458 HydrophobicContact CH2-CB 4.44Å; W449-I458 HydrophobicContact CH2-CG2 4.26Å; W449-I458 HydrophobicContact CZ2-CB 4.26Å; W449-I458 HydrophobicContact CZ2-CD1 4.42Å; W449-I458 HydrophobicContact CZ2-CG2 3.87Å; W449-E459 HydrophobicContact CH2-CG 3.72Å; W449-E459 HydrophobicContact CZ3-CG 3.59Å; W449-F520 HydrophobicContact CH2-CE1 4.23Å; W449-F520 AromaticContact CH2-CZ 3.85Å; W449-F520 HydrophobicContact CH2-CZ 3.85Å; W449-F520 HydrophobicContact CZ2-CZ 4.32Å; W449-W524 AromaticContact CE2-CE3 3.84Å; W449-W524 HydrophobicContact CZ2-CB 4.42Å; W449-W524 AromaticContact CZ2-CD2 3.63Å; W449-W524 HydrophobicContact CZ2-CD2 3.63Å; W449-W524 AromaticContact CZ2-CE3 3.79Å; W449-W524 HydrophobicContact CZ2-CE3 3.79Å; W449-W524 AromaticContact CZ2-CG 3.89Å; W449-W524 HydrophobicContact CZ2-CG 3.89Å; W449-W524 HydrophobicContact CZ2-CZ3 4.38Å; W449-W524 AromaticContact NE1-CE3 3.27Å; W449-W524 VanDerWaalsContact NE1-CE3 3.27Å; W449-W524 AromaticContact NE1-CH2 3.88Å; W449-W524 AromaticContact NE1-CZ3 3.19Å; W449-L526 HydrophobicContact CH2-CD1 4.42Å |
| 450 | F | 95.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | trans | -75.4 | 117.4 | -175.1 | 176 | -96 | 0 | 0 | 0 | 112 | S447 A448 R483 V487 L526 | S447-F450 WeakPolarHBondContact O-CB 3.42Å; S447-F450 PolarHBondContact O-N 2.84Å; A448-F450 VanDerWaalsContact C-N 3.3Å; F450-R483 HydrophobicContact CE2-CG 4.29Å; F450-V487 HydrophobicContact CZ-CG2 4.05Å; F450-L526 HydrophobicContact CB-CD1 4.12Å; F450-L526 HydrophobicContact CB-CD2 3.76Å; F450-L526 HydrophobicContact CD1-CD2 3.75Å; F450-L526 HydrophobicContact CD2-CD1 3.49Å; F450-L526 VanDerWaalsContact CD2-CD1 3.49Å; F450-L526 HydrophobicContact CD2-CD2 4.18Å; F450-L526 HydrophobicContact CD2-CG 4.47Å; F450-L526 HydrophobicContact CE1-CD2 4.41Å; F450-L526 HydrophobicContact CE2-CD1 4Å; F450-L526 HydrophobicContact CG-CD1 3.8Å; F450-L526 HydrophobicContact CG-CD2 3.62Å; F450-L526 HydrophobicContact CG-CG 4.37Å | ||
| 451 | D | 95.1 | Very high | 94 | Very high | 71 Ų | 71 | 66.6 Ų | 66.6 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | trans | -108.4 | 127.8 | 167.1 | 176.6 | 8.3 | 0 | 0 | 0 | 109.5 | W449 N453 A454 R483 | W449-D451 PolarHBondContact O-N 2.77Å; D451-N453 PolarHBondContact O-N 2.89Å; D451-N453 PolarHBondContact OD1-N 3.34Å; D451-N453 PolarHBondContact OD1-ND2 2.81Å; D451-N453 VanDerWaalsContact OD1-ND2 3.13Å; D451-A454 HydrophobicContact CB-CB 4.09Å; D451-A454 PolarHBondContact O-N 3.31Å; D451-A454 WeakPolarHBondContact OD2-CB 3.45Å; D451-R483 PolarHBondContact O-NH1 2.87Å; D451-R483 PolarHBondContact O-NH2 2.72Å | ||
| 452 | Y | 93.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -26.4 | 175.1 | 178.7 | -91.9 | 0 | 0 | 0 | 113.1 | R483 N484 D488 | Y452-R483 PolarHBondContact O-NH2 3.04Å; Y452-N484 HydrophobicContact CD2-CB 4.29Å; Y452-N484 WeakPolarHBondContact CE1-ND2 3.42Å; Y452-N484 HydrophobicContact CE2-CB 3.53Å; Y452-N484 VanDerWaalsContact CE2-CG 3.47Å; Y452-N484 WeakPolarHBondContact CE2-ND2 3.38Å; Y452-N484 PolarHBondContact O-ND2 3.44Å; Y452-N484 PolarHBondContact O-OD1 3.16Å; Y452-D488 WeakPolarHBondContact CE2-OD1 3.43Å; Y452-D488 WeakPolarHBondContact CE2-OD2 3.29Å; Y452-D488 PolarHBondContact OH-OD2 3.07Å |
| 453 | N | 94.2 | Very high | 94.6 | Very high | 123 Ų | 123 | 63.9 Ų | 63.9 | 66% | 0.658 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -13.6 | -175.6 | -52.7 | -79.8 | 0 | 0 | 0 | 114.2 | D451 | D451-N453 PolarHBondContact O-N 2.89Å; D451-N453 PolarHBondContact OD1-N 3.34Å; D451-N453 PolarHBondContact OD1-ND2 2.81Å; D451-N453 VanDerWaalsContact OD1-ND2 3.13Å |
| 454 | A | 94.2 | Very high | 94.7 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -127.3 | 155.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D451 R483 | D451-A454 HydrophobicContact CB-CB 4.09Å; D451-A454 PolarHBondContact O-N 3.31Å; D451-A454 WeakPolarHBondContact OD2-CB 3.45Å; A454-R483 PolarHBondContact O-NH1 2.9Å; A454-R483 PolarHBondContact O-NH2 2.91Å |
| 455 | I | 95.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | trans | -105.6 | 112.7 | -178.6 | -60.4 | 173.8 | 0 | 0 | 0 | 109.9 | E459 R460 F467 P476 Y479 L480 | I455-E459 WeakPolarHBondContact CA-OE2 3.15Å; I455-E459 HydrophobicContact CG2-CB 4.39Å; I455-E459 WeakPolarHBondContact CG2-OE2 3.31Å; I455-R460 HydrophobicContact CG2-CG 4.01Å; I455-R460 PolarHBondContact O-NE 3.49Å; I455-F467 HydrophobicContact CD1-CE1 4.17Å; I455-F467 HydrophobicContact CG2-CE1 3.65Å; I455-F467 HydrophobicContact CG2-CZ 3.6Å; I455-P476 HydrophobicContact CD1-CB 3.83Å; I455-P476 WeakPolarHBondContact CD1-O 3.34Å; I455-Y479 HydrophobicContact CD1-CD1 4.18Å; I455-Y479 HydrophobicContact CG1-CD1 4.36Å; I455-Y479 HydrophobicContact CG2-CD1 4.38Å; I455-Y479 HydrophobicContact CG2-CE1 4.22Å; I455-L480 HydrophobicContact CD1-CB 4.36Å; I455-L480 HydrophobicContact CG1-CD1 4.36Å | ||
| 456 | H | 95.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | trans | -83.2 | 160.1 | -168.9 | -171 | -122.4 | 0 | 0 | 0 | 113.7 | W449 I458 E459 R460 | W449-H456 AromaticContact CD2-ND1 3.4Å; W449-H456 HydrophobicContact CE3-CB 3.46Å; W449-H456 VanDerWaalsContact CE3-CB 3.46Å; W449-H456 AromaticContact CE3-CG 3.47Å; W449-H456 VanDerWaalsContact CE3-CG 3.47Å; W449-H456 AromaticContact CE3-ND1 3.13Å; W449-H456 AromaticContact CG-CE1 3.86Å; W449-H456 AromaticContact CG-ND1 3.7Å; W449-H456 HydrophobicContact CZ3-CB 3.7Å; W449-H456 AromaticContact CZ3-ND1 3.95Å; H456-I458 PolarHBondContact ND1-N 3.04Å; H456-I458 PolarHBondContact O-N 3.49Å; H456-E459 HydrophobicContact CB-CG 4.35Å; H456-E459 PolarHBondContact N-OE2 3.45Å; H456-E459 PolarHBondContact O-N 3.27Å; H456-R460 PolarHBondContact O-N 3.14Å | ||
| 457 | G | 94.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | R461 | G457-R461 WeakPolarHBondContact O-CG 3.23Å; G457-R461 PolarHBondContact O-NE 3.36Å; G457-R461 VanDerWaalsContact O-NE 3.08Å |
| 458 | I | 95.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 60 Ų | 60 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -49.6 | 170.3 | -70.2 | 170.1 | 0 | 0 | 0 | 110.1 | W449 H456 R460 R461 A462 F520 W524 | W449-I458 HydrophobicContact CD2-CD1 3.92Å; W449-I458 HydrophobicContact CG-CD1 3.87Å; W449-I458 HydrophobicContact CH2-CB 4.44Å; W449-I458 HydrophobicContact CH2-CG2 4.26Å; W449-I458 HydrophobicContact CZ2-CB 4.26Å; W449-I458 HydrophobicContact CZ2-CD1 4.42Å; W449-I458 HydrophobicContact CZ2-CG2 3.87Å; H456-I458 PolarHBondContact ND1-N 3.04Å; H456-I458 PolarHBondContact O-N 3.49Å; I458-R460 VanDerWaalsContact C-N 3.27Å; I458-R460 PolarHBondContact O-N 3.05Å; I458-R461 PolarHBondContact O-N 3.07Å; I458-A462 PolarHBondContact O-N 3.25Å; I458-F520 HydrophobicContact CG2-CE2 4.32Å; I458-F520 HydrophobicContact CG2-CZ 4.31Å; I458-W524 HydrophobicContact CD1-CH2 4.09Å; I458-W524 HydrophobicContact CD1-CZ2 4.47Å; I458-W524 HydrophobicContact CG2-CH2 4.26Å; I458-W524 HydrophobicContact CG2-CZ2 3.58Å |
| 459 | E | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.2 | -41.5 | 179.2 | -56.6 | 177.6 | 145.2 | 0 | 0 | 111.8 | W449 I455 H456 R461 A462 L463 Y479 R483 F520 | W449-E459 HydrophobicContact CH2-CG 3.72Å; W449-E459 HydrophobicContact CZ3-CG 3.59Å; I455-E459 WeakPolarHBondContact CA-OE2 3.15Å; I455-E459 HydrophobicContact CG2-CB 4.39Å; I455-E459 WeakPolarHBondContact CG2-OE2 3.31Å; H456-E459 HydrophobicContact CB-CG 4.35Å; H456-E459 PolarHBondContact N-OE2 3.45Å; H456-E459 PolarHBondContact O-N 3.27Å; E459-R461 VanDerWaalsContact C-N 3.29Å; E459-R461 PolarHBondContact O-N 3.12Å; E459-A462 PolarHBondContact O-N 2.64Å; E459-L463 PolarHBondContact O-N 2.92Å; E459-Y479 HydrophobicContact CB-CE1 4.13Å; E459-Y479 WeakPolarHBondContact CB-OH 3.46Å; E459-Y479 VanDerWaalsContact CD-OH 3.28Å; E459-Y479 HydrophobicContact CG-CE1 4.48Å; E459-Y479 WeakPolarHBondContact CG-OH 3.33Å; E459-Y479 PolarHBondContact OE1-OH 3.38Å; E459-R483 VanDerWaalsContact CD-NH1 3.3Å; E459-R483 VanDerWaalsContact OE1-CD 3.31Å; E459-R483 WeakPolarHBondContact OE1-CD 3.3Å; E459-R483 IonicContact OE1-CZ 3.89Å; E459-R483 IonicContact OE1-NE 3.1Å; E459-R483 IonicContact OE1-NH1 2.73Å; E459-R483 PolarHBondContact OE1-NH1 2.99Å; E459-R483 IonicContact OE2-NH1 3.77Å; E459-R483 PolarHBondContact OE2-NH1 2.74Å; E459-R483 VanDerWaalsContact OE2-NH1 3.1Å; E459-F520 HydrophobicContact CB-CE1 4.49Å; E459-F520 HydrophobicContact CB-CZ 4.28Å; E459-F520 HydrophobicContact CG-CE1 3.86Å; E459-F520 HydrophobicContact CG-CZ 3.76Å |
| 460 | R | 95.2 | Very high | 93.7 | Very high | 114 Ų | 114 | 64.5 Ų | 64.5 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -29 | 178.2 | -66.5 | 175.1 | -175.5 | -86.3 | 1.4 | 114 | I455 H456 I458 F467 | I455-R460 HydrophobicContact CG2-CG 4.01Å; I455-R460 PolarHBondContact O-NE 3.49Å; H456-R460 PolarHBondContact O-N 3.14Å; I458-R460 VanDerWaalsContact C-N 3.27Å; I458-R460 PolarHBondContact O-N 3.05Å; R460-F467 HydrophobicContact CB-CD2 4.15Å; R460-F467 HydrophobicContact CB-CE2 4.41Å; R460-F467 HydrophobicContact CB-CG 4.45Å; R460-F467 HydrophobicContact CG-CD1 4.14Å; R460-F467 HydrophobicContact CG-CD2 4.03Å; R460-F467 HydrophobicContact CG-CE1 4.2Å; R460-F467 HydrophobicContact CG-CE2 4.08Å; R460-F467 HydrophobicContact CG-CG 4.05Å; R460-F467 HydrophobicContact CG-CZ 4.16Å |
| 461 | R | 95 | Very high | 93.3 | Very high | 196 Ų | 196 | 66.2 Ų | 66.2 | 74% | 0.74 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -85 | -36.2 | 175.7 | -71.7 | -175.6 | -67.6 | 154.6 | 0.3 | 112.2 | G457 I458 E459 | G457-R461 WeakPolarHBondContact O-CG 3.23Å; G457-R461 PolarHBondContact O-NE 3.36Å; G457-R461 VanDerWaalsContact O-NE 3.08Å; I458-R461 PolarHBondContact O-N 3.07Å; E459-R461 VanDerWaalsContact C-N 3.29Å; E459-R461 PolarHBondContact O-N 3.12Å |
| 462 | A | 94.3 | Very high | 93 | Very high | 50 Ų | 50 | 72.6 Ų | 72.6 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -75.9 | -36.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I458 E459 P464 F520 | I458-A462 PolarHBondContact O-N 3.25Å; E459-A462 PolarHBondContact O-N 2.64Å; A462-P464 WeakPolarHBondContact O-CD 3.17Å; A462-F520 HydrophobicContact CB-CD2 3.56Å; A462-F520 HydrophobicContact CB-CE2 3.34Å; A462-F520 HydrophobicContact CB-CZ 4.35Å |
| 463 | L | 94.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.042 | 39% | 0.39 | C | S | . | . | trans | -126.6 | 55.8 | -174.3 | -62 | 172.5 | 0 | 0 | 0 | 112.2 | E459 E465 F466 F467 Y479 R516 V517 F520 | E459-L463 PolarHBondContact O-N 2.92Å; L463-E465 PolarHBondContact O-N 3.19Å; L463-F466 HydrophobicContact CB-CD2 4.27Å; L463-F466 PolarHBondContact O-N 2.77Å; L463-F467 WeakPolarHBondContact O-CD2 3.04Å; L463-F467 WeakPolarHBondContact O-CE2 3.47Å; L463-Y479 HydrophobicContact CD1-CD2 4.3Å; L463-Y479 HydrophobicContact CD1-CE2 3.5Å; L463-R516 HydrophobicContact CD2-CB 3.77Å; L463-V517 HydrophobicContact CD1-CG2 4.05Å; L463-F520 HydrophobicContact CD1-CB 3.96Å; L463-F520 HydrophobicContact CD1-CD1 3.96Å; L463-F520 HydrophobicContact CD1-CD2 4.47Å; L463-F520 HydrophobicContact CD1-CG 3.86Å; L463-F520 HydrophobicContact CG-CB 4.49Å; L463-F520 HydrophobicContact CG-CG 4.4Å | ||
| 464 | P | 94.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -62.3 | -16.5 | -172 | 27.4 | -36.6 | 0 | 0 | 0 | 114.2 | A462 F466 F467 N468 | A462-P464 WeakPolarHBondContact O-CD 3.17Å; P464-F466 PolarHBondContact O-N 3.07Å; P464-F467 PolarHBondContact O-N 3.45Å; P464-N468 WeakPolarHBondContact O-CB 3.15Å; P464-N468 PolarHBondContact O-N 3.48Å |
| 465 | E | 92.7 | Very high | 92.6 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -62.9 | -19.3 | 178.4 | 69.4 | 179 | 144.3 | 0 | 0 | 114.7 | L463 K474 S513 R516 | L463-E465 PolarHBondContact O-N 3.19Å; E465-K474 HydrophobicContact CB-CD 4.25Å; E465-K474 HydrophobicContact CG-CD 4.17Å; E465-K474 VanDerWaalsContact O-CB 3.24Å; E465-K474 WeakPolarHBondContact O-CB 3.36Å; E465-K474 IonicContact OE2-NZ 2.66Å; E465-K474 PolarHBondContact OE2-NZ 3.29Å; E465-S513 PolarHBondContact OE2-OG 2.84Å; E465-R516 IonicContact OE1-CZ 3.21Å; E465-R516 IonicContact OE1-NE 2.84Å; E465-R516 PolarHBondContact OE1-NE 2.87Å; E465-R516 IonicContact OE1-NH2 2.86Å; E465-R516 PolarHBondContact OE1-NH2 3.31Å; E465-R516 IonicContact OE2-CZ 3.8Å; E465-R516 IonicContact OE2-NH2 2.82Å; E465-R516 PolarHBondContact OE2-NH2 3.2Å |
| 466 | F | 94.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -93.6 | -4.6 | 174.1 | -66.3 | -88.2 | 0 | 0 | 0 | 113.8 | L463 P464 K474 T475 P476 V478 Y479 Y482 V517 | L463-F466 HydrophobicContact CB-CD2 4.27Å; L463-F466 PolarHBondContact O-N 2.77Å; P464-F466 PolarHBondContact O-N 3.07Å; F466-K474 CarbonylContact C-O 3.56Å; F466-K474 WeakPolarHBondContact CA-O 3.35Å; F466-K474 HydrophobicContact CD1-CB 3.88Å; F466-K474 HydrophobicContact CE1-CB 4.33Å; F466-K474 HydrophobicContact CG-CB 4.38Å; F466-T475 CarbonylContact O-C 3.52Å; F466-P476 WeakPolarHBondContact O-CD 3.35Å; F466-V478 HydrophobicContact CE1-CG1 4.35Å; F466-Y479 HydrophobicContact CB-CG 4.46Å; F466-Y479 HydrophobicContact CD2-CD2 4.01Å; F466-Y479 HydrophobicContact CE2-CD2 4.17Å; F466-Y479 HydrophobicContact CG-CD2 4.27Å; F466-Y479 HydrophobicContact CG-CG 4.32Å; F466-Y482 HydrophobicContact CE1-CD2 4.08Å; F466-Y482 AromaticContact CE1-CE2 3.94Å; F466-Y482 HydrophobicContact CE1-CE2 3.94Å; F466-Y482 AromaticContact CZ-CD2 3.99Å; F466-Y482 HydrophobicContact CZ-CD2 3.99Å; F466-Y482 HydrophobicContact CZ-CE2 4.05Å; F466-V517 HydrophobicContact CE2-CG2 3.7Å; F466-V517 HydrophobicContact CZ-CG2 3.82Å |
| 467 | F | 94.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 70.2 Ų | 70.2 | 19% | 0.193 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -12.8 | -169.2 | -53.4 | -64.3 | 0 | 0 | 0 | 114 | I455 R460 L463 P464 G469 P476 Y479 | I455-F467 HydrophobicContact CD1-CE1 4.17Å; I455-F467 HydrophobicContact CG2-CE1 3.65Å; I455-F467 HydrophobicContact CG2-CZ 3.6Å; R460-F467 HydrophobicContact CB-CD2 4.15Å; R460-F467 HydrophobicContact CB-CE2 4.41Å; R460-F467 HydrophobicContact CB-CG 4.45Å; R460-F467 HydrophobicContact CG-CD1 4.14Å; R460-F467 HydrophobicContact CG-CD2 4.03Å; R460-F467 HydrophobicContact CG-CE1 4.2Å; R460-F467 HydrophobicContact CG-CE2 4.08Å; R460-F467 HydrophobicContact CG-CG 4.05Å; R460-F467 HydrophobicContact CG-CZ 4.16Å; L463-F467 WeakPolarHBondContact O-CD2 3.04Å; L463-F467 WeakPolarHBondContact O-CE2 3.47Å; P464-F467 PolarHBondContact O-N 3.45Å; F467-G469 VanDerWaalsContact C-N 3.28Å; F467-G469 PolarHBondContact O-N 2.82Å; F467-P476 HydrophobicContact CD1-CB 4.23Å; F467-P476 HydrophobicContact CD1-CG 4.02Å; F467-P476 HydrophobicContact CE1-CB 3.98Å; F467-P476 HydrophobicContact CE1-CG 4.29Å; F467-Y479 HydrophobicContact CE1-CD1 4.33Å; F467-Y479 AromaticContact CZ-CD1 3.63Å; F467-Y479 HydrophobicContact CZ-CD1 3.63Å; F467-Y479 HydrophobicContact CZ-CE1 4.01Å; F467-Y479 AromaticContact CZ-CG 3.99Å; F467-Y479 HydrophobicContact CZ-CG 3.99Å |
| 468 | N | 89.9 | Confident | 92.5 | Very high | 82 Ų | 82 | 70.3 Ų | 70.3 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -77.8 | -6.1 | -178.9 | 69.6 | 15.9 | 0 | 0 | 0 | 114.9 | P464 Q470 | P464-N468 WeakPolarHBondContact O-CB 3.15Å; P464-N468 PolarHBondContact O-N 3.48Å; N468-Q470 HydrophobicContact CB-CG 4.24Å; N468-Q470 PolarHBondContact O-N 2.75Å; N468-Q470 VanDerWaalsContact O-N 3.09Å; N468-Q470 PolarHBondContact O-NE2 3.47Å; N468-Q470 WeakPolarHBondContact OD1-CB 3.24Å; N468-Q470 PolarHBondContact OD1-N 2.74Å |
| 469 | G | 86.5 | Confident | 92.5 | Very high | 71 Ų | 71 | 68.9 Ų | 68.9 | 73% | 0.732 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 68.1 | -0.4 | 180 | 0 | 0 | 0 | 0 | 0 | 116 | F467 | F467-G469 VanDerWaalsContact C-N 3.28Å; F467-G469 PolarHBondContact O-N 2.82Å |
| 470 | Q | 86.2 | Confident | 92.4 | Very high | 160 Ų | 160 | 71.1 Ų | 71.1 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | trans | -75.4 | -35.2 | -173.9 | -59.2 | -58.4 | -47.8 | 0 | 0 | 112.5 | N468 | N468-Q470 HydrophobicContact CB-CG 4.24Å; N468-Q470 PolarHBondContact O-N 2.75Å; N468-Q470 VanDerWaalsContact O-N 3.09Å; N468-Q470 PolarHBondContact O-NE2 3.47Å; N468-Q470 WeakPolarHBondContact OD1-CB 3.24Å; N468-Q470 PolarHBondContact OD1-N 2.74Å | ||
| 471 | N | 87.4 | Confident | 92.4 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 35% | 0.348 | 37% | 0.374 | S | S | . | . | trans | -110.3 | 115.7 | -175.7 | -171.6 | -13 | 0 | 0 | 0 | 111.9 | S473 K474 | N471-S473 PolarHBondContact O-N 3.02Å; N471-S473 VanDerWaalsContact O-N 3.1Å; N471-S473 PolarHBondContact OD1-N 2.99Å; N471-S473 PolarHBondContact OD1-OG 2.85Å; N471-K474 HydrophobicContact CB-CB 4.19Å; N471-K474 HydrophobicContact CB-CD 4.43Å; N471-K474 HydrophobicContact CB-CG 4.29Å; N471-K474 PolarHBondContact O-N 3.49Å | ||
| 472 | K | 88.8 | Confident | 92.4 | Very high | 205 Ų | 205 | 60 Ų | 60 | 89% | 0.891 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.9 | -179.1 | -61.5 | -179.6 | -178.4 | 178.1 | 0 | 114.7 | ||
| 473 | S | 88.2 | Confident | 92.5 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -5.6 | 175.3 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | N471 | N471-S473 PolarHBondContact O-N 3.02Å; N471-S473 VanDerWaalsContact O-N 3.1Å; N471-S473 PolarHBondContact OD1-N 2.99Å; N471-S473 PolarHBondContact OD1-OG 2.85Å |
| 474 | K | 91.7 | Very high | 92.6 | Very high | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | trans | -115.2 | 75.4 | 177.8 | -58.9 | -175.2 | -177.7 | -173.3 | 0 | 108.8 | E465 F466 N471 D510 S513 | E465-K474 HydrophobicContact CB-CD 4.25Å; E465-K474 HydrophobicContact CG-CD 4.17Å; E465-K474 VanDerWaalsContact O-CB 3.24Å; E465-K474 WeakPolarHBondContact O-CB 3.36Å; E465-K474 IonicContact OE2-NZ 2.66Å; E465-K474 PolarHBondContact OE2-NZ 3.29Å; F466-K474 CarbonylContact C-O 3.56Å; F466-K474 WeakPolarHBondContact CA-O 3.35Å; F466-K474 HydrophobicContact CD1-CB 3.88Å; F466-K474 HydrophobicContact CE1-CB 4.33Å; F466-K474 HydrophobicContact CG-CB 4.38Å; N471-K474 HydrophobicContact CB-CB 4.19Å; N471-K474 HydrophobicContact CB-CD 4.43Å; N471-K474 HydrophobicContact CB-CG 4.29Å; N471-K474 PolarHBondContact O-N 3.49Å; K474-D510 WeakPolarHBondContact CE-OD2 3.4Å; K474-D510 IonicContact NZ-OD2 2.76Å; K474-D510 PolarHBondContact NZ-OD2 3.28Å; K474-S513 WeakPolarHBondContact CE-OG 3.27Å; K474-S513 PolarHBondContact NZ-OG 2.83Å | ||
| 475 | T | 93.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 58 Ų | 58 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | trans | -101.1 | 163.3 | 178.5 | 78.7 | 0 | 0 | 0 | 0 | 110.8 | F466 E477 V478 Y479 | F466-T475 CarbonylContact O-C 3.52Å; T475-E477 WeakPolarHBondContact CB-OE2 3.45Å; T475-E477 PolarHBondContact O-N 3.15Å; T475-E477 PolarHBondContact OG1-OE2 2.87Å; T475-V478 PolarHBondContact O-N 2.73Å; T475-V478 PolarHBondContact OG1-N 2.92Å; T475-Y479 PolarHBondContact O-N 2.88Å | ||
| 476 | P | 94.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 56.4 Ų | 56.4 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -31.2 | 177.8 | -24.9 | 35.5 | 0 | 0 | 0 | 113.4 | I455 F466 F467 Y479 L480 | I455-P476 HydrophobicContact CD1-CB 3.83Å; I455-P476 WeakPolarHBondContact CD1-O 3.34Å; F466-P476 WeakPolarHBondContact O-CD 3.35Å; F467-P476 HydrophobicContact CD1-CB 4.23Å; F467-P476 HydrophobicContact CD1-CG 4.02Å; F467-P476 HydrophobicContact CE1-CB 3.98Å; F467-P476 HydrophobicContact CE1-CG 4.29Å; P476-Y479 WeakPolarHBondContact O-CB 3.36Å; P476-Y479 PolarHBondContact O-N 2.86Å; P476-L480 WeakPolarHBondContact O-CB 3.31Å; P476-L480 PolarHBondContact O-N 2.9Å |
| 477 | E | 93.5 | Very high | 92.9 | Very high | 127 Ų | 127 | 56.4 Ų | 56.4 | 59% | 0.593 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -73.2 | -38.2 | 179.8 | -51.9 | 70.1 | -146 | 0 | 0 | 111.1 | T475 L480 A481 | T475-E477 WeakPolarHBondContact CB-OE2 3.45Å; T475-E477 PolarHBondContact O-N 3.15Å; T475-E477 PolarHBondContact OG1-OE2 2.87Å; E477-L480 PolarHBondContact O-N 3.36Å; E477-A481 WeakPolarHBondContact O-CB 3.47Å; E477-A481 PolarHBondContact O-N 2.84Å |
| 478 | V | 94.2 | Very high | 92.9 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 173.4 | 176 | 0 | 0 | 0 | 0 | 110.6 | F466 T475 A481 Y482 | F466-V478 HydrophobicContact CE1-CG1 4.35Å; T475-V478 PolarHBondContact O-N 2.73Å; T475-V478 PolarHBondContact OG1-N 2.92Å; V478-A481 PolarHBondContact O-N 3.08Å; V478-Y482 HydrophobicContact CG1-CD1 4.38Å; V478-Y482 HydrophobicContact CG1-CD2 4.34Å; V478-Y482 HydrophobicContact CG1-CE1 3.74Å; V478-Y482 HydrophobicContact CG1-CE2 3.69Å; V478-Y482 WeakPolarHBondContact CG1-OH 3.23Å; V478-Y482 WeakPolarHBondContact O-CD1 3.44Å; V478-Y482 PolarHBondContact O-N 3.19Å |
| 479 | Y | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -51.6 | 171.4 | 172 | -107.1 | 0 | 0 | 0 | 111.6 | I455 E459 L463 F466 F467 T475 P476 A481 Y482 R483 V517 | I455-Y479 HydrophobicContact CD1-CD1 4.18Å; I455-Y479 HydrophobicContact CG1-CD1 4.36Å; I455-Y479 HydrophobicContact CG2-CD1 4.38Å; I455-Y479 HydrophobicContact CG2-CE1 4.22Å; E459-Y479 HydrophobicContact CB-CE1 4.13Å; E459-Y479 WeakPolarHBondContact CB-OH 3.46Å; E459-Y479 VanDerWaalsContact CD-OH 3.28Å; E459-Y479 HydrophobicContact CG-CE1 4.48Å; E459-Y479 WeakPolarHBondContact CG-OH 3.33Å; E459-Y479 PolarHBondContact OE1-OH 3.38Å; L463-Y479 HydrophobicContact CD1-CD2 4.3Å; L463-Y479 HydrophobicContact CD1-CE2 3.5Å; F466-Y479 HydrophobicContact CB-CG 4.46Å; F466-Y479 HydrophobicContact CD2-CD2 4.01Å; F466-Y479 HydrophobicContact CE2-CD2 4.17Å; F466-Y479 HydrophobicContact CG-CD2 4.27Å; F466-Y479 HydrophobicContact CG-CG 4.32Å; F467-Y479 HydrophobicContact CE1-CD1 4.33Å; F467-Y479 AromaticContact CZ-CD1 3.63Å; F467-Y479 HydrophobicContact CZ-CD1 3.63Å; F467-Y479 HydrophobicContact CZ-CE1 4.01Å; F467-Y479 AromaticContact CZ-CG 3.99Å; F467-Y479 HydrophobicContact CZ-CG 3.99Å; T475-Y479 PolarHBondContact O-N 2.88Å; P476-Y479 WeakPolarHBondContact O-CB 3.36Å; P476-Y479 PolarHBondContact O-N 2.86Å; Y479-A481 VanDerWaalsContact C-N 3.29Å; Y479-A481 PolarHBondContact O-N 2.68Å; Y479-Y482 PolarHBondContact O-N 3.39Å; Y479-R483 HydrophobicContact CE1-CB 4.49Å; Y479-R483 HydrophobicContact CE1-CG 4.48Å; Y479-R483 HydrophobicContact CE2-CB 4.42Å; Y479-R483 WeakPolarHBondContact O-CB 3.49Å; Y479-R483 PolarHBondContact O-N 3.31Å; Y479-R483 WeakPolarHBondContact OH-CD 3.45Å; Y479-V517 HydrophobicContact CD2-CG2 3.94Å; Y479-V517 HydrophobicContact CE2-CG1 4.26Å; Y479-V517 HydrophobicContact CE2-CG2 4.02Å |
| 480 | L | 94.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | -179.5 | -174.2 | 62.4 | 0 | 0 | 0 | 111.6 | I455 P476 E477 R483 N484 | I455-L480 HydrophobicContact CD1-CB 4.36Å; I455-L480 HydrophobicContact CG1-CD1 4.36Å; P476-L480 WeakPolarHBondContact O-CB 3.31Å; P476-L480 PolarHBondContact O-N 2.9Å; E477-L480 PolarHBondContact O-N 3.36Å; L480-R483 PolarHBondContact O-N 2.98Å; L480-N484 VanDerWaalsContact O-CB 3.26Å; L480-N484 WeakPolarHBondContact O-CB 3.25Å; L480-N484 VanDerWaalsContact O-CG 3.28Å; L480-N484 PolarHBondContact O-N 3.27Å; L480-N484 PolarHBondContact O-OD1 3.1Å |
| 481 | A | 94.4 | Very high | 93.8 | Very high | 58 Ų | 58 | 47 Ų | 47 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | E477 V478 Y479 F485 | E477-A481 WeakPolarHBondContact O-CB 3.47Å; E477-A481 PolarHBondContact O-N 2.84Å; V478-A481 PolarHBondContact O-N 3.08Å; Y479-A481 VanDerWaalsContact C-N 3.29Å; Y479-A481 PolarHBondContact O-N 2.68Å; A481-F485 VanDerWaalsContact O-CB 3.22Å; A481-F485 WeakPolarHBondContact O-CB 3.33Å; A481-F485 PolarHBondContact O-N 2.76Å |
| 482 | Y | 96.7 | Very high | 93.9 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 175.5 | -65.3 | -9.6 | 0 | 0 | 0 | 111.4 | F466 V478 Y479 F485 M486 L507 T508 G509 I514 V517 | F466-Y482 HydrophobicContact CE1-CD2 4.08Å; F466-Y482 AromaticContact CE1-CE2 3.94Å; F466-Y482 HydrophobicContact CE1-CE2 3.94Å; F466-Y482 AromaticContact CZ-CD2 3.99Å; F466-Y482 HydrophobicContact CZ-CD2 3.99Å; F466-Y482 HydrophobicContact CZ-CE2 4.05Å; V478-Y482 HydrophobicContact CG1-CD1 4.38Å; V478-Y482 HydrophobicContact CG1-CD2 4.34Å; V478-Y482 HydrophobicContact CG1-CE1 3.74Å; V478-Y482 HydrophobicContact CG1-CE2 3.69Å; V478-Y482 WeakPolarHBondContact CG1-OH 3.23Å; V478-Y482 WeakPolarHBondContact O-CD1 3.44Å; V478-Y482 PolarHBondContact O-N 3.19Å; Y479-Y482 PolarHBondContact O-N 3.39Å; Y482-F485 PolarHBondContact O-N 3.29Å; Y482-M486 VanDerWaalsContact O-CG 3.32Å; Y482-M486 WeakPolarHBondContact O-CG 3.33Å; Y482-M486 PolarHBondContact O-N 3.3Å; Y482-M486 VanDerWaalsContact O-N 3.07Å; Y482-L507 HydrophobicContact CD1-CB 4.31Å; Y482-L507 HydrophobicContact CD1-CD1 4.01Å; Y482-L507 HydrophobicContact CD1-CD2 3.95Å; Y482-L507 HydrophobicContact CD1-CG 4.33Å; Y482-L507 HydrophobicContact CE1-CB 4.44Å; Y482-L507 HydrophobicContact CG-CD1 4.13Å; Y482-T508 PolarHBondContact OH-O 3.26Å; Y482-G509 WeakPolarHBondContact OH-CA 3.45Å; Y482-I514 HydrophobicContact CD2-CG1 4.27Å; Y482-I514 HydrophobicContact CE2-CG1 4.05Å; Y482-V517 HydrophobicContact CD2-CG2 4.49Å |
| 483 | R | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -52.4 | -176.5 | -171.5 | -166.2 | 77.5 | 160.4 | 1.7 | 111.2 | F450 D451 Y452 A454 E459 Y479 L480 M486 V487 L521 | F450-R483 HydrophobicContact CE2-CG 4.29Å; D451-R483 PolarHBondContact O-NH1 2.87Å; D451-R483 PolarHBondContact O-NH2 2.72Å; Y452-R483 PolarHBondContact O-NH2 3.04Å; A454-R483 PolarHBondContact O-NH1 2.9Å; A454-R483 PolarHBondContact O-NH2 2.91Å; E459-R483 VanDerWaalsContact CD-NH1 3.3Å; E459-R483 VanDerWaalsContact OE1-CD 3.31Å; E459-R483 WeakPolarHBondContact OE1-CD 3.3Å; E459-R483 IonicContact OE1-CZ 3.89Å; E459-R483 IonicContact OE1-NE 3.1Å; E459-R483 IonicContact OE1-NH1 2.73Å; E459-R483 PolarHBondContact OE1-NH1 2.99Å; E459-R483 IonicContact OE2-NH1 3.77Å; E459-R483 PolarHBondContact OE2-NH1 2.74Å; E459-R483 VanDerWaalsContact OE2-NH1 3.1Å; Y479-R483 HydrophobicContact CE1-CB 4.49Å; Y479-R483 HydrophobicContact CE1-CG 4.48Å; Y479-R483 HydrophobicContact CE2-CB 4.42Å; Y479-R483 WeakPolarHBondContact O-CB 3.49Å; Y479-R483 PolarHBondContact O-N 3.31Å; Y479-R483 WeakPolarHBondContact OH-CD 3.45Å; L480-R483 PolarHBondContact O-N 2.98Å; R483-M486 PolarHBondContact O-N 2.85Å; R483-V487 WeakPolarHBondContact O-CG2 3.42Å; R483-V487 PolarHBondContact O-N 2.88Å; R483-V487 VanDerWaalsContact O-N 3.07Å; R483-L521 HydrophobicContact CG-CD1 4.18Å; R483-L521 HydrophobicContact CG-CD2 3.93Å; R483-L521 HydrophobicContact CG-CG 4.46Å |
| 484 | N | 96.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.2 | -41 | -177.2 | -70.5 | 16.9 | 0 | 0 | 0 | 111.1 | Y452 L480 M486 V487 D488 | Y452-N484 HydrophobicContact CD2-CB 4.29Å; Y452-N484 WeakPolarHBondContact CE1-ND2 3.42Å; Y452-N484 HydrophobicContact CE2-CB 3.53Å; Y452-N484 VanDerWaalsContact CE2-CG 3.47Å; Y452-N484 WeakPolarHBondContact CE2-ND2 3.38Å; Y452-N484 PolarHBondContact O-ND2 3.44Å; Y452-N484 PolarHBondContact O-OD1 3.16Å; L480-N484 VanDerWaalsContact O-CB 3.26Å; L480-N484 WeakPolarHBondContact O-CB 3.25Å; L480-N484 VanDerWaalsContact O-CG 3.28Å; L480-N484 PolarHBondContact O-N 3.27Å; L480-N484 PolarHBondContact O-OD1 3.1Å; N484-M486 VanDerWaalsContact C-N 3.33Å; N484-M486 PolarHBondContact O-N 3.5Å; N484-V487 PolarHBondContact O-N 3.34Å; N484-D488 WeakPolarHBondContact O-CB 3.37Å; N484-D488 PolarHBondContact O-N 3.09Å |
| 485 | F | 96 | Very high | 93.9 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 30% | 0.303 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.1 | -44.3 | 173.6 | 175.8 | -89 | 0 | 0 | 0 | 112.7 | A481 Y482 T489 N506 L507 | A481-F485 VanDerWaalsContact O-CB 3.22Å; A481-F485 WeakPolarHBondContact O-CB 3.33Å; A481-F485 PolarHBondContact O-N 2.76Å; Y482-F485 PolarHBondContact O-N 3.29Å; F485-T489 WeakPolarHBondContact CE1-OG1 3.48Å; F485-T489 WeakPolarHBondContact CZ-OG1 3.33Å; F485-T489 VanDerWaalsContact O-CB 3.24Å; F485-T489 WeakPolarHBondContact O-CB 3.46Å; F485-T489 PolarHBondContact O-N 3.34Å; F485-T489 PolarHBondContact O-OG1 3.3Å; F485-N506 HydrophobicContact CE1-CB 3.87Å; F485-N506 HydrophobicContact CE2-CB 4.16Å; F485-N506 HydrophobicContact CZ-CB 3.38Å; F485-L507 HydrophobicContact CB-CD2 3.9Å; F485-L507 HydrophobicContact CD1-CD1 3.91Å; F485-L507 HydrophobicContact CD1-CD2 3.62Å; F485-L507 HydrophobicContact CD1-CG 3.69Å; F485-L507 HydrophobicContact CD2-CD2 4.35Å; F485-L507 HydrophobicContact CE1-CD2 4.29Å; F485-L507 HydrophobicContact CE1-CG 4.11Å; F485-L507 HydrophobicContact CG-CD2 3.67Å; F485-L507 HydrophobicContact CG-CG 4.28Å |
| 486 | M | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 178 | -68.6 | -177.4 | -161.7 | 0 | 0 | 111.8 | Y482 R483 N484 T489 Y490 L498 C503 L507 I514 V517 H518 L521 | Y482-M486 VanDerWaalsContact O-CG 3.32Å; Y482-M486 WeakPolarHBondContact O-CG 3.33Å; Y482-M486 PolarHBondContact O-N 3.3Å; Y482-M486 VanDerWaalsContact O-N 3.07Å; R483-M486 PolarHBondContact O-N 2.85Å; N484-M486 VanDerWaalsContact C-N 3.33Å; N484-M486 PolarHBondContact O-N 3.5Å; M486-T489 PolarHBondContact O-N 3.25Å; M486-Y490 WeakPolarHBondContact O-CB 3.48Å; M486-Y490 PolarHBondContact O-N 2.66Å; M486-L498 HydrophobicContact CB-CD2 4.29Å; M486-L498 WeakPolarHBondContact O-CD2 3.34Å; M486-C503 HydrophobicContact CE-CB 4.12Å; M486-C503 HydrophobicContact CG-CB 4.35Å; M486-L507 HydrophobicContact CE-CD1 3.6Å; M486-L507 HydrophobicContact CG-CD1 4.3Å; M486-I514 HydrophobicContact CE-CG2 3.71Å; M486-V517 HydrophobicContact CE-CB 4.09Å; M486-V517 HydrophobicContact CE-CG1 3.94Å; M486-V517 HydrophobicContact SD-CG1 3.97Å; M486-H518 HydrophobicContact CE-CB 4.15Å; M486-H518 VanDerWaalsContact SD-CA 3.58Å; M486-H518 HydrophobicContact SD-CB 3.77Å; M486-L521 HydrophobicContact CB-CD1 3.77Å; M486-L521 HydrophobicContact CG-CD1 4.5Å; M486-L521 HydrophobicContact SD-CD1 4.05Å |
| 487 | V | 95 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 178.2 | 167.8 | 0 | 0 | 0 | 0 | 111 | F450 R483 N484 Y490 R491 L521 I527 | F450-V487 HydrophobicContact CZ-CG2 4.05Å; R483-V487 WeakPolarHBondContact O-CG2 3.42Å; R483-V487 PolarHBondContact O-N 2.88Å; R483-V487 VanDerWaalsContact O-N 3.07Å; N484-V487 PolarHBondContact O-N 3.34Å; V487-Y490 PolarHBondContact O-N 2.92Å; V487-R491 HydrophobicContact CG1-CG 4.45Å; V487-R491 VanDerWaalsContact CG1-NE 3.33Å; V487-R491 WeakPolarHBondContact O-CB 3.5Å; V487-R491 WeakPolarHBondContact O-CG 3.49Å; V487-R491 PolarHBondContact O-N 3.2Å; V487-L521 HydrophobicContact CG2-CD1 4.07Å; V487-L521 HydrophobicContact CG2-CD2 4.03Å; V487-I527 HydrophobicContact CG2-CG2 4.29Å |
| 488 | D | 94.5 | Very high | 93.5 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.5 | -40.1 | -179.3 | -66 | -25.1 | 0 | 0 | 0 | 112.3 | Y452 N484 Y490 R491 L492 | Y452-D488 WeakPolarHBondContact CE2-OD1 3.43Å; Y452-D488 WeakPolarHBondContact CE2-OD2 3.29Å; Y452-D488 PolarHBondContact OH-OD2 3.07Å; N484-D488 WeakPolarHBondContact O-CB 3.37Å; N484-D488 PolarHBondContact O-N 3.09Å; D488-Y490 VanDerWaalsContact C-N 3.31Å; D488-Y490 PolarHBondContact O-N 3.07Å; D488-R491 PolarHBondContact O-N 2.89Å; D488-R491 VanDerWaalsContact O-N 3.12Å; D488-L492 PolarHBondContact O-N 2.99Å; D488-L492 VanDerWaalsContact O-N 3.13Å |
| 489 | T | 93.1 | Very high | 93.5 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.4 | -41 | 176.2 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | F485 M486 L498 | F485-T489 WeakPolarHBondContact CE1-OG1 3.48Å; F485-T489 WeakPolarHBondContact CZ-OG1 3.33Å; F485-T489 VanDerWaalsContact O-CB 3.24Å; F485-T489 WeakPolarHBondContact O-CB 3.46Å; F485-T489 PolarHBondContact O-N 3.34Å; F485-T489 PolarHBondContact O-OG1 3.3Å; M486-T489 PolarHBondContact O-N 3.25Å; T489-L498 HydrophobicContact CG2-CD1 3.76Å; T489-L498 HydrophobicContact CG2-CD2 4.42Å |
| 490 | Y | 94 | Very high | 93.4 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.2 | -39.9 | 173.6 | 168.2 | -106.2 | 0 | 0 | 0 | 112.1 | M486 V487 D488 L492 N493 P494 I527 N528 Y529 Q530 V531 | M486-Y490 WeakPolarHBondContact O-CB 3.48Å; M486-Y490 PolarHBondContact O-N 2.66Å; V487-Y490 PolarHBondContact O-N 2.92Å; D488-Y490 VanDerWaalsContact C-N 3.31Å; D488-Y490 PolarHBondContact O-N 3.07Å; Y490-L492 PolarHBondContact O-N 2.97Å; Y490-N493 CarbonylContact O-C 3.51Å; Y490-N493 PolarHBondContact O-N 3.25Å; Y490-N493 VanDerWaalsContact O-N 3.11Å; Y490-P494 HydrophobicContact CE1-CB 4.37Å; Y490-P494 HydrophobicContact CE2-CB 4.3Å; Y490-P494 PolarHBondContact OH-O 3.39Å; Y490-I527 HydrophobicContact CD1-CB 4.1Å; Y490-I527 HydrophobicContact CD1-CG2 4.16Å; Y490-I527 HydrophobicContact CD2-CB 4.47Å; Y490-I527 HydrophobicContact CG-CB 3.95Å; Y490-I527 HydrophobicContact CG-CG2 4.12Å; Y490-N528 VanDerWaalsContact CE2-CA 3.46Å; Y490-N528 VanDerWaalsContact CZ-N 3.28Å; Y490-Y529 PolarHBondContact OH-N 3.25Å; Y490-Q530 WeakPolarHBondContact OH-CB 3.11Å; Y490-Q530 PolarHBondContact OH-N 2.94Å; Y490-V531 HydrophobicContact CE2-CG2 4.28Å |
| 491 | R | 93.2 | Very high | 93.3 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -17.6 | 179 | -75.7 | 171.5 | 172.8 | -171.8 | -5.3 | 114.5 | Q437 I441 V487 D488 | Q437-R491 PolarHBondContact NE2-O 2.94Å; I441-R491 HydrophobicContact CD1-CB 4.18Å; I441-R491 HydrophobicContact CD1-CG 3.6Å; I441-R491 HydrophobicContact CG1-CG 4.08Å; V487-R491 HydrophobicContact CG1-CG 4.45Å; V487-R491 VanDerWaalsContact CG1-NE 3.33Å; V487-R491 WeakPolarHBondContact O-CB 3.5Å; V487-R491 WeakPolarHBondContact O-CG 3.49Å; V487-R491 PolarHBondContact O-N 3.2Å; D488-R491 PolarHBondContact O-N 2.89Å; D488-R491 VanDerWaalsContact O-N 3.12Å |
| 492 | L | 91.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 44.9 Ų | 44.9 | 49% | 0.492 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 169.9 | -67 | 173.9 | 0 | 0 | 0 | 111.7 | T435 H439 D488 Y490 | T435-L492 HydrophobicContact CG2-CD2 4.38Å; H439-L492 PolarHBondContact CD2-O 2.76Å; H439-L492 VanDerWaalsContact CD2-O 3.29Å; D488-L492 PolarHBondContact O-N 2.99Å; D488-L492 VanDerWaalsContact O-N 3.13Å; Y490-L492 PolarHBondContact O-N 2.97Å |
| 493 | N | 89.4 | Confident | 93.1 | Very high | 82 Ų | 82 | 44 Ų | 44 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | trans | -134 | 75.3 | -179.6 | -75 | -8.2 | 0 | 0 | 0 | 111.2 | Y490 Q495 E496 | Y490-N493 CarbonylContact O-C 3.51Å; Y490-N493 PolarHBondContact O-N 3.25Å; Y490-N493 VanDerWaalsContact O-N 3.11Å; N493-Q495 PolarHBondContact O-N 3.03Å; N493-E496 HydrophobicContact CB-CB 3.96Å; N493-E496 PolarHBondContact ND2-OE2 3.23Å; N493-E496 PolarHBondContact O-N 3.33Å | ||
| 494 | P | 90.8 | Very high | 93 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -6 | -175.6 | -23.6 | 34.7 | 0 | 0 | 0 | 116 | H439 Y490 Q530 | H439-P494 HydrophobicContact CB-CG 3.87Å; Y490-P494 HydrophobicContact CE1-CB 4.37Å; Y490-P494 HydrophobicContact CE2-CB 4.3Å; Y490-P494 PolarHBondContact OH-O 3.39Å; P494-Q530 HydrophobicContact CB-CB 4.38Å; P494-Q530 CarbonylContact O-C 3.48Å; P494-Q530 WeakPolarHBondContact O-CB 3.28Å |
| 495 | Q | 87.8 | Confident | 92.9 | Very high | 124 Ų | 124 | 58.4 Ų | 58.4 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -11.4 | 174.7 | -64.1 | -64.5 | -86.5 | 0 | 0 | 113.2 | N493 Q530 | N493-Q495 PolarHBondContact O-N 3.03Å; Q495-Q530 PolarHBondContact NE2-O 3.26Å |
| 496 | E | 88.1 | Confident | 92.8 | Very high | 107 Ų | 107 | 60.2 Ų | 60.2 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -101.6 | 137.5 | -178.3 | -170.5 | 175.5 | -179.8 | 0 | 0 | 110.2 | N493 L498 | N493-E496 HydrophobicContact CB-CB 3.96Å; N493-E496 PolarHBondContact ND2-OE2 3.23Å; N493-E496 PolarHBondContact O-N 3.33Å; E496-L498 PolarHBondContact O-N 3.16Å |
| 497 | Y | 92.6 | Very high | 92.6 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | trans | -74.7 | 110.9 | 179.8 | -172 | -92.1 | 0 | 0 | 0 | 111 | T499 E522 N528 V531 | Y497-T499 HydrophobicContact CD1-CG2 3.77Å; Y497-T499 HydrophobicContact CE1-CG2 4.18Å; Y497-T499 PolarHBondContact O-N 3.42Å; Y497-E522 WeakPolarHBondContact CE2-OE1 3.39Å; Y497-E522 VanDerWaalsContact OH-CD 3.28Å; Y497-E522 PolarHBondContact OH-OE1 3.09Å; Y497-E522 PolarHBondContact OH-OE2 3.45Å; Y497-E522 VanDerWaalsContact OH-OE2 3.1Å; Y497-N528 HydrophobicContact CD2-CB 4.08Å; Y497-N528 HydrophobicContact CE2-CB 3.94Å; Y497-N528 WeakPolarHBondContact CE2-ND2 3.11Å; Y497-N528 VanDerWaalsContact CZ-ND2 3.27Å; Y497-V531 HydrophobicContact CD2-CG1 4.31Å; Y497-V531 HydrophobicContact CD2-CG2 4.46Å | ||
| 498 | L | 93.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | trans | -72.1 | 97.5 | 176.2 | 179.4 | 58.6 | 0 | 0 | 0 | 109.3 | M486 T489 E496 A502 H518 N528 | M486-L498 HydrophobicContact CB-CD2 4.29Å; M486-L498 WeakPolarHBondContact O-CD2 3.34Å; T489-L498 HydrophobicContact CG2-CD1 3.76Å; T489-L498 HydrophobicContact CG2-CD2 4.42Å; E496-L498 PolarHBondContact O-N 3.16Å; L498-A502 HydrophobicContact CD1-CB 4.15Å; L498-H518 PolarHBondContact O-NE2 3.46Å; L498-N528 WeakPolarHBondContact CB-OD1 3.15Å; L498-N528 PolarHBondContact N-OD1 3.49Å; L498-N528 PolarHBondContact O-ND2 3.36Å | ||
| 499 | T | 93.7 | Very high | 92.2 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | trans | -70.7 | 142.4 | 177.6 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | Y497 T501 A502 C503 | Y497-T499 HydrophobicContact CD1-CG2 3.77Å; Y497-T499 HydrophobicContact CE1-CG2 4.18Å; Y497-T499 PolarHBondContact O-N 3.42Å; T499-T501 PolarHBondContact O-N 3.1Å; T499-T501 VanDerWaalsContact O-N 3.11Å; T499-A502 WeakPolarHBondContact O-CB 3.42Å; T499-A502 PolarHBondContact O-N 2.88Å; T499-A502 PolarHBondContact OG1-N 2.99Å; T499-C503 PolarHBondContact O-N 2.91Å | ||
| 500 | F | 93.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 67.4 Ų | 67.4 | 16% | 0.158 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -48 | -37.5 | 167.3 | 163.9 | -114.2 | 0 | 0 | 0 | 113.1 | A502 C503 R504 V511 I514 L515 | F500-A502 VanDerWaalsContact C-N 3.34Å; F500-A502 PolarHBondContact O-N 2.99Å; F500-C503 WeakPolarHBondContact O-CB 3.29Å; F500-C503 PolarHBondContact O-N 2.97Å; F500-R504 HydrophobicContact CE2-CB 4.24Å; F500-R504 HydrophobicContact CZ-CB 4.29Å; F500-R504 HydrophobicContact CZ-CG 4.24Å; F500-R504 WeakPolarHBondContact O-CB 3.19Å; F500-R504 PolarHBondContact O-N 3.44Å; F500-V511 HydrophobicContact CE1-CG1 4.45Å; F500-V511 HydrophobicContact CZ-CG1 3.77Å; F500-I514 HydrophobicContact CD2-CG2 4.13Å; F500-I514 HydrophobicContact CE2-CB 4.07Å; F500-I514 HydrophobicContact CE2-CG2 3.78Å; F500-L515 HydrophobicContact CB-CD1 4.17Å; F500-L515 HydrophobicContact CD1-CD1 3.86Å; F500-L515 HydrophobicContact CD2-CB 4.04Å; F500-L515 HydrophobicContact CD2-CD1 3.81Å; F500-L515 HydrophobicContact CE1-CD1 4.15Å; F500-L515 HydrophobicContact CE2-CB 3.62Å; F500-L515 HydrophobicContact CE2-CD1 4.13Å; F500-L515 HydrophobicContact CE2-CG 4.47Å; F500-L515 HydrophobicContact CG-CD1 3.66Å; F500-L515 HydrophobicContact CZ-CB 3.87Å; F500-L515 HydrophobicContact CZ-CD1 4.26Å |
| 501 | T | 91.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 70.5 Ų | 70.5 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 178.7 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | T499 R505 | T499-T501 PolarHBondContact O-N 3.1Å; T499-T501 VanDerWaalsContact O-N 3.11Å; T501-R505 VanDerWaalsContact O-CG 3.26Å; T501-R505 WeakPolarHBondContact O-CG 3Å; T501-R505 PolarHBondContact O-N 3.49Å |
| 502 | A | 92.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 71.2 Ų | 71.2 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L498 T499 F500 R505 N506 | L498-A502 HydrophobicContact CD1-CB 4.15Å; T499-A502 WeakPolarHBondContact O-CB 3.42Å; T499-A502 PolarHBondContact O-N 2.88Å; T499-A502 PolarHBondContact OG1-N 2.99Å; F500-A502 VanDerWaalsContact C-N 3.34Å; F500-A502 PolarHBondContact O-N 2.99Å; A502-R505 PolarHBondContact O-N 3.41Å; A502-N506 PolarHBondContact O-ND2 3.46Å |
| 503 | C | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 174.4 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | M486 T499 F500 R505 N506 L507 I514 | M486-C503 HydrophobicContact CE-CB 4.12Å; M486-C503 HydrophobicContact CG-CB 4.35Å; T499-C503 PolarHBondContact O-N 2.91Å; F500-C503 WeakPolarHBondContact O-CB 3.29Å; F500-C503 PolarHBondContact O-N 2.97Å; C503-R505 PolarHBondContact O-N 2.89Å; C503-N506 PolarHBondContact O-N 3.28Å; C503-L507 HydrophobicContact CB-CD1 4.45Å; C503-L507 WeakPolarHBondContact O-CB 3.37Å; C503-L507 PolarHBondContact O-N 3.47Å; C503-I514 HydrophobicContact CB-CG2 4.27Å |
| 504 | R | 94.8 | Very high | 92.6 | Very high | 120 Ų | 120 | 63 Ų | 63 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -21.6 | 179.3 | -163.3 | -167.6 | 72.9 | -175.4 | 2.4 | 113.9 | F500 | F500-R504 HydrophobicContact CE2-CB 4.24Å; F500-R504 HydrophobicContact CZ-CB 4.29Å; F500-R504 HydrophobicContact CZ-CG 4.24Å; F500-R504 WeakPolarHBondContact O-CB 3.19Å; F500-R504 PolarHBondContact O-N 3.44Å |
| 505 | R | 94.3 | Very high | 92.8 | Very high | 199 Ų | 199 | 66.7 Ų | 66.7 | 75% | 0.751 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -77.9 | -23.7 | 174.5 | -79.9 | 169.1 | 177.6 | 168.3 | 0.6 | 113.2 | T501 A502 C503 | T501-R505 VanDerWaalsContact O-CG 3.26Å; T501-R505 WeakPolarHBondContact O-CG 3Å; T501-R505 PolarHBondContact O-N 3.49Å; A502-R505 PolarHBondContact O-N 3.41Å; C503-R505 PolarHBondContact O-N 2.89Å |
| 506 | N | 92.8 | Very high | 93.2 | Very high | 108 Ų | 108 | 65.9 Ų | 65.9 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -113.2 | -23.9 | -173.7 | -65.2 | -76 | 0 | 0 | 0 | 113.3 | F485 A502 C503 | F485-N506 HydrophobicContact CE1-CB 3.87Å; F485-N506 HydrophobicContact CE2-CB 4.16Å; F485-N506 HydrophobicContact CZ-CB 3.38Å; A502-N506 PolarHBondContact O-ND2 3.46Å; C503-N506 PolarHBondContact O-N 3.28Å |
| 507 | L | 93.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | trans | -98.3 | 123.3 | 178.3 | -65.6 | -179.8 | 0 | 0 | 0 | 111.9 | Y482 F485 M486 C503 I514 | Y482-L507 HydrophobicContact CD1-CB 4.31Å; Y482-L507 HydrophobicContact CD1-CD1 4.01Å; Y482-L507 HydrophobicContact CD1-CD2 3.95Å; Y482-L507 HydrophobicContact CD1-CG 4.33Å; Y482-L507 HydrophobicContact CE1-CB 4.44Å; Y482-L507 HydrophobicContact CG-CD1 4.13Å; F485-L507 HydrophobicContact CB-CD2 3.9Å; F485-L507 HydrophobicContact CD1-CD1 3.91Å; F485-L507 HydrophobicContact CD1-CD2 3.62Å; F485-L507 HydrophobicContact CD1-CG 3.69Å; F485-L507 HydrophobicContact CD2-CD2 4.35Å; F485-L507 HydrophobicContact CE1-CD2 4.29Å; F485-L507 HydrophobicContact CE1-CG 4.11Å; F485-L507 HydrophobicContact CG-CD2 3.67Å; F485-L507 HydrophobicContact CG-CG 4.28Å; M486-L507 HydrophobicContact CE-CD1 3.6Å; M486-L507 HydrophobicContact CG-CD1 4.3Å; C503-L507 HydrophobicContact CB-CD1 4.45Å; C503-L507 WeakPolarHBondContact O-CB 3.37Å; C503-L507 PolarHBondContact O-N 3.47Å; L507-I514 HydrophobicContact CB-CD1 3.97Å; L507-I514 HydrophobicContact CD1-CG2 4.31Å; L507-I514 WeakPolarHBondContact O-CD1 3.22Å | ||
| 508 | T | 92.1 | Very high | 93.9 | Very high | 130 Ų | 130 | 57.8 Ų | 57.8 | 80% | 0.798 | 30% | 0.304 | S | S | * | . | trans | -83.1 | 114.1 | 172.3 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | Y482 | Y482-T508 PolarHBondContact OH-O 3.26Š| ||
| 509 | G | 89 | Confident | 94 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -179.2 | -178.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y482 V511 | Y482-G509 WeakPolarHBondContact OH-CA 3.45Å; G509-V511 PolarHBondContact O-N 2.98Å |
| 510 | D | 91.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | trans | -63.7 | 118.8 | 165.7 | 165.4 | 23.9 | 0 | 0 | 0 | 109.6 | K474 C512 S513 I514 R516 | K474-D510 WeakPolarHBondContact CE-OD2 3.4Å; K474-D510 IonicContact NZ-OD2 2.76Å; K474-D510 PolarHBondContact NZ-OD2 3.28Å; D510-C512 PolarHBondContact O-N 2.84Å; D510-C512 WeakPolarHBondContact OD1-CB 3.45Å; D510-C512 PolarHBondContact OD1-N 3.37Å; D510-S513 WeakPolarHBondContact O-CB 3.09Å; D510-S513 PolarHBondContact O-N 2.95Å; D510-S513 PolarHBondContact OD2-N 2.91Å; D510-S513 PolarHBondContact OD2-OG 2.89Å; D510-I514 WeakPolarHBondContact O-CG1 3.43Å; D510-I514 PolarHBondContact O-N 2.82Å; D510-R516 IonicContact OD2-NH2 3.97Å | ||
| 511 | V | 93.4 | Very high | 94.3 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -50.7 | -41.1 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | F500 G509 L515 | F500-V511 HydrophobicContact CE1-CG1 4.45Å; F500-V511 HydrophobicContact CZ-CG1 3.77Å; G509-V511 PolarHBondContact O-N 2.98Å; V511-L515 WeakPolarHBondContact O-CB 3.47Å; V511-L515 PolarHBondContact O-N 3.24Å |
| 512 | C | 93.5 | Very high | 94.5 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.8 | -30.4 | -179.1 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | D510 R516 | D510-C512 PolarHBondContact O-N 2.84Å; D510-C512 WeakPolarHBondContact OD1-CB 3.45Å; D510-C512 PolarHBondContact OD1-N 3.37Å; C512-R516 WeakPolarHBondContact O-CG 3.44Å; C512-R516 PolarHBondContact O-N 3.25Å; C512-R516 VanDerWaalsContact O-N 3.15Å |
| 513 | S | 93.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.4 | -43.5 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | E465 K474 D510 L515 R516 V517 | E465-S513 PolarHBondContact OE2-OG 2.84Å; K474-S513 WeakPolarHBondContact CE-OG 3.27Å; K474-S513 PolarHBondContact NZ-OG 2.83Å; D510-S513 WeakPolarHBondContact O-CB 3.09Å; D510-S513 PolarHBondContact O-N 2.95Å; D510-S513 PolarHBondContact OD2-N 2.91Å; D510-S513 PolarHBondContact OD2-OG 2.89Å; S513-L515 VanDerWaalsContact C-N 3.25Å; S513-L515 PolarHBondContact O-N 3.16Å; S513-R516 PolarHBondContact O-N 3.28Å; S513-V517 WeakPolarHBondContact O-CG2 3.46Å; S513-V517 PolarHBondContact O-N 3.02Å |
| 514 | I | 96 | Very high | 94.6 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 175.5 | -63.6 | 168.4 | 0 | 0 | 0 | 109.9 | Y482 M486 F500 C503 L507 D510 V517 H518 | Y482-I514 HydrophobicContact CD2-CG1 4.27Å; Y482-I514 HydrophobicContact CE2-CG1 4.05Å; M486-I514 HydrophobicContact CE-CG2 3.71Å; F500-I514 HydrophobicContact CD2-CG2 4.13Å; F500-I514 HydrophobicContact CE2-CB 4.07Å; F500-I514 HydrophobicContact CE2-CG2 3.78Å; C503-I514 HydrophobicContact CB-CG2 4.27Å; L507-I514 HydrophobicContact CB-CD1 3.97Å; L507-I514 HydrophobicContact CD1-CG2 4.31Å; L507-I514 WeakPolarHBondContact O-CD1 3.22Å; D510-I514 WeakPolarHBondContact O-CG1 3.43Å; D510-I514 PolarHBondContact O-N 2.82Å; I514-V517 PolarHBondContact O-N 2.73Å; I514-H518 WeakPolarHBondContact O-CB 3.36Å; I514-H518 PolarHBondContact O-N 3.05Å |
| 515 | L | 95.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 58.6 Ų | 58.6 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.1 | -176.6 | 62.7 | 0 | 0 | 0 | 112.1 | F500 V511 S513 H518 A519 | F500-L515 HydrophobicContact CB-CD1 4.17Å; F500-L515 HydrophobicContact CD1-CD1 3.86Å; F500-L515 HydrophobicContact CD2-CB 4.04Å; F500-L515 HydrophobicContact CD2-CD1 3.81Å; F500-L515 HydrophobicContact CE1-CD1 4.15Å; F500-L515 HydrophobicContact CE2-CB 3.62Å; F500-L515 HydrophobicContact CE2-CD1 4.13Å; F500-L515 HydrophobicContact CE2-CG 4.47Å; F500-L515 HydrophobicContact CG-CD1 3.66Å; F500-L515 HydrophobicContact CZ-CB 3.87Å; F500-L515 HydrophobicContact CZ-CD1 4.26Å; V511-L515 WeakPolarHBondContact O-CB 3.47Å; V511-L515 PolarHBondContact O-N 3.24Å; S513-L515 VanDerWaalsContact C-N 3.25Å; S513-L515 PolarHBondContact O-N 3.16Å; L515-H518 PolarHBondContact O-N 2.87Å; L515-A519 WeakPolarHBondContact O-CB 3.5Å; L515-A519 PolarHBondContact O-N 3Å |
| 516 | R | 96.3 | Very high | 94.6 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 177.5 | -76.5 | -174.1 | -67.9 | -88.6 | -1.2 | 113.3 | L463 E465 D510 C512 S513 F520 | L463-R516 HydrophobicContact CD2-CB 3.77Å; E465-R516 IonicContact OE1-CZ 3.21Å; E465-R516 IonicContact OE1-NE 2.84Å; E465-R516 PolarHBondContact OE1-NE 2.87Å; E465-R516 IonicContact OE1-NH2 2.86Å; E465-R516 PolarHBondContact OE1-NH2 3.31Å; E465-R516 IonicContact OE2-CZ 3.8Å; E465-R516 IonicContact OE2-NH2 2.82Å; E465-R516 PolarHBondContact OE2-NH2 3.2Å; D510-R516 IonicContact OD2-NH2 3.97Å; C512-R516 WeakPolarHBondContact O-CG 3.44Å; C512-R516 PolarHBondContact O-N 3.25Å; C512-R516 VanDerWaalsContact O-N 3.15Å; S513-R516 PolarHBondContact O-N 3.28Å; R516-F520 WeakPolarHBondContact O-CB 3.44Å; R516-F520 PolarHBondContact O-N 2.92Å |
| 517 | V | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 173.9 | 175.6 | 0 | 0 | 0 | 0 | 111 | L463 F466 Y479 Y482 M486 S513 I514 L521 | L463-V517 HydrophobicContact CD1-CG2 4.05Å; F466-V517 HydrophobicContact CE2-CG2 3.7Å; F466-V517 HydrophobicContact CZ-CG2 3.82Å; Y479-V517 HydrophobicContact CD2-CG2 3.94Å; Y479-V517 HydrophobicContact CE2-CG1 4.26Å; Y479-V517 HydrophobicContact CE2-CG2 4.02Å; Y482-V517 HydrophobicContact CD2-CG2 4.49Å; M486-V517 HydrophobicContact CE-CB 4.09Å; M486-V517 HydrophobicContact CE-CG1 3.94Å; M486-V517 HydrophobicContact SD-CG1 3.97Å; S513-V517 WeakPolarHBondContact O-CG2 3.46Å; S513-V517 PolarHBondContact O-N 3.02Å; I514-V517 PolarHBondContact O-N 2.73Å; V517-L521 HydrophobicContact CG1-CD1 4.27Å; V517-L521 WeakPolarHBondContact O-CG 3.46Å; V517-L521 PolarHBondContact O-N 3.31Å; V517-L521 VanDerWaalsContact O-N 3.08Å |
| 518 | H | 97.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -54.2 | 176.6 | 174 | -93.6 | 0 | 0 | 0 | 111.5 | M486 L498 I514 L515 F520 L521 E522 I527 | M486-H518 HydrophobicContact CE-CB 4.15Å; M486-H518 VanDerWaalsContact SD-CA 3.58Å; M486-H518 HydrophobicContact SD-CB 3.77Å; L498-H518 PolarHBondContact O-NE2 3.46Å; I514-H518 WeakPolarHBondContact O-CB 3.36Å; I514-H518 PolarHBondContact O-N 3.05Å; L515-H518 PolarHBondContact O-N 2.87Å; H518-F520 VanDerWaalsContact C-N 3.31Å; H518-F520 PolarHBondContact O-N 3.14Å; H518-L521 PolarHBondContact O-N 2.89Å; H518-E522 IonicContact CE1-OE2 3.53Å; H518-E522 PolarHBondContact O-N 2.97Å; H518-I527 VanDerWaalsContact CD2-CD1 3.43Å; H518-I527 WeakPolarHBondContact CD2-CD1 3.22Å |
| 519 | A | 96 | Very high | 94.8 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L515 E522 Q523 | L515-A519 WeakPolarHBondContact O-CB 3.5Å; L515-A519 PolarHBondContact O-N 3Å; A519-E522 PolarHBondContact O-N 2.85Å; A519-Q523 WeakPolarHBondContact O-CB 3.28Å; A519-Q523 PolarHBondContact O-N 2.84Å |
| 520 | F | 97.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 174.3 | 171.4 | -96.8 | 0 | 0 | 0 | 112.2 | W449 I458 E459 A462 L463 R516 H518 E522 Q523 W524 | W449-F520 HydrophobicContact CH2-CE1 4.23Å; W449-F520 AromaticContact CH2-CZ 3.85Å; W449-F520 HydrophobicContact CH2-CZ 3.85Å; W449-F520 HydrophobicContact CZ2-CZ 4.32Å; I458-F520 HydrophobicContact CG2-CE2 4.32Å; I458-F520 HydrophobicContact CG2-CZ 4.31Å; E459-F520 HydrophobicContact CB-CE1 4.49Å; E459-F520 HydrophobicContact CB-CZ 4.28Å; E459-F520 HydrophobicContact CG-CE1 3.86Å; E459-F520 HydrophobicContact CG-CZ 3.76Å; A462-F520 HydrophobicContact CB-CD2 3.56Å; A462-F520 HydrophobicContact CB-CE2 3.34Å; A462-F520 HydrophobicContact CB-CZ 4.35Å; L463-F520 HydrophobicContact CD1-CB 3.96Å; L463-F520 HydrophobicContact CD1-CD1 3.96Å; L463-F520 HydrophobicContact CD1-CD2 4.47Å; L463-F520 HydrophobicContact CD1-CG 3.86Å; L463-F520 HydrophobicContact CG-CB 4.49Å; L463-F520 HydrophobicContact CG-CG 4.4Å; R516-F520 WeakPolarHBondContact O-CB 3.44Å; R516-F520 PolarHBondContact O-N 2.92Å; H518-F520 VanDerWaalsContact C-N 3.31Å; H518-F520 PolarHBondContact O-N 3.14Å; F520-E522 VanDerWaalsContact C-N 3.29Å; F520-E522 PolarHBondContact O-N 3.13Å; F520-Q523 PolarHBondContact O-N 2.77Å; F520-W524 AromaticContact CD2-CD1 3.74Å; F520-W524 AromaticContact CD2-NE1 3.9Å; F520-W524 AromaticContact CE2-CD1 3.4Å; F520-W524 VanDerWaalsContact CE2-CD1 3.4Å; F520-W524 AromaticContact CE2-NE1 3.33Å; F520-W524 VanDerWaalsContact CE2-NE1 3.33Å; F520-W524 AromaticContact CZ-CD1 3.72Å; F520-W524 AromaticContact CZ-NE1 3.91Å; F520-W524 VanDerWaalsContact O-CD1 3.32Å; F520-W524 PolarHBondContact O-N 2.91Å; F520-W524 VanDerWaalsContact O-N 3.12Å |
| 521 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -34 | 177.8 | -73.8 | 173.2 | 0 | 0 | 0 | 112.3 | R483 M486 V487 V517 H518 G525 L526 I527 | R483-L521 HydrophobicContact CG-CD1 4.18Å; R483-L521 HydrophobicContact CG-CD2 3.93Å; R483-L521 HydrophobicContact CG-CG 4.46Å; M486-L521 HydrophobicContact CB-CD1 3.77Å; M486-L521 HydrophobicContact CG-CD1 4.5Å; M486-L521 HydrophobicContact SD-CD1 4.05Å; V487-L521 HydrophobicContact CG2-CD1 4.07Å; V487-L521 HydrophobicContact CG2-CD2 4.03Å; V517-L521 HydrophobicContact CG1-CD1 4.27Å; V517-L521 WeakPolarHBondContact O-CG 3.46Å; V517-L521 PolarHBondContact O-N 3.31Å; V517-L521 VanDerWaalsContact O-N 3.08Å; H518-L521 PolarHBondContact O-N 2.89Å; L521-G525 PolarHBondContact O-N 3.48Å; L521-L526 HydrophobicContact CB-CB 4.43Å; L521-L526 HydrophobicContact CD2-CB 3.86Å; L521-L526 HydrophobicContact CD2-CD1 3.66Å; L521-L526 HydrophobicContact CD2-CG 4.42Å; L521-L526 PolarHBondContact O-N 2.97Å; L521-I527 HydrophobicContact CB-CD1 3.91Å; L521-I527 HydrophobicContact CB-CG1 3.86Å; L521-I527 HydrophobicContact CB-CG2 4.32Å; L521-I527 PolarHBondContact O-N 3.35Å |
| 522 | E | 95.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71 | -43.9 | 175.5 | -178.3 | 160.7 | -130 | 0 | 0 | 112.1 | Y497 H518 A519 F520 W524 G525 I527 N528 | Y497-E522 WeakPolarHBondContact CE2-OE1 3.39Å; Y497-E522 VanDerWaalsContact OH-CD 3.28Å; Y497-E522 PolarHBondContact OH-OE1 3.09Å; Y497-E522 PolarHBondContact OH-OE2 3.45Å; Y497-E522 VanDerWaalsContact OH-OE2 3.1Å; H518-E522 IonicContact CE1-OE2 3.53Å; H518-E522 PolarHBondContact O-N 2.97Å; A519-E522 PolarHBondContact O-N 2.85Å; F520-E522 VanDerWaalsContact C-N 3.29Å; F520-E522 PolarHBondContact O-N 3.13Å; E522-W524 VanDerWaalsContact C-N 3.27Å; E522-W524 PolarHBondContact O-N 2.94Å; E522-G525 PolarHBondContact O-N 3.27Å; E522-I527 HydrophobicContact CB-CD1 4.42Å; E522-I527 HydrophobicContact CB-CG1 4.06Å; E522-N528 HydrophobicContact CG-CB 4.41Å; E522-N528 WeakPolarHBondContact OE1-CB 3.44Å; E522-N528 PolarHBondContact OE1-ND2 3.45Å |
| 523 | Q | 94.6 | Very high | 92.2 | Very high | 148 Ų | 148 | 43.6 Ų | 43.6 | 69% | 0.692 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -57.6 | -39 | 174.5 | -176.1 | -177.6 | 8.3 | 0 | 0 | 112.2 | A519 F520 G525 | A519-Q523 WeakPolarHBondContact O-CB 3.28Å; A519-Q523 PolarHBondContact O-N 2.84Å; F520-Q523 PolarHBondContact O-N 2.77Å; Q523-G525 VanDerWaalsContact C-N 3.3Å |
| 524 | W | 96.2 | Very high | 90.4 | Very high | 62 Ų | 62 | 46.5 Ų | 46.5 | 24% | 0.235 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 7.4 | 174.8 | -72.1 | 93.5 | 0 | 0 | 0 | 113.6 | Y446 S447 W449 I458 F520 E522 L526 | Y446-W524 AromaticContact CD2-CE3 3.88Å; Y446-W524 HydrophobicContact CD2-CE3 3.88Å; Y446-W524 HydrophobicContact CD2-CZ3 4.11Å; Y446-W524 HydrophobicContact CE2-CE3 4.43Å; Y446-W524 WeakPolarHBondContact O-CZ3 3.5Å; S447-W524 WeakPolarHBondContact CB-O 3.25Å; S447-W524 PolarHBondContact OG-O 2.87Å; W449-W524 AromaticContact CE2-CE3 3.84Å; W449-W524 HydrophobicContact CZ2-CB 4.42Å; W449-W524 AromaticContact CZ2-CD2 3.63Å; W449-W524 HydrophobicContact CZ2-CD2 3.63Å; W449-W524 AromaticContact CZ2-CE3 3.79Å; W449-W524 HydrophobicContact CZ2-CE3 3.79Å; W449-W524 AromaticContact CZ2-CG 3.89Å; W449-W524 HydrophobicContact CZ2-CG 3.89Å; W449-W524 HydrophobicContact CZ2-CZ3 4.38Å; W449-W524 AromaticContact NE1-CE3 3.27Å; W449-W524 VanDerWaalsContact NE1-CE3 3.27Å; W449-W524 AromaticContact NE1-CH2 3.88Å; W449-W524 AromaticContact NE1-CZ3 3.19Å; I458-W524 HydrophobicContact CD1-CH2 4.09Å; I458-W524 HydrophobicContact CD1-CZ2 4.47Å; I458-W524 HydrophobicContact CG2-CH2 4.26Å; I458-W524 HydrophobicContact CG2-CZ2 3.58Å; F520-W524 AromaticContact CD2-CD1 3.74Å; F520-W524 AromaticContact CD2-NE1 3.9Å; F520-W524 AromaticContact CE2-CD1 3.4Å; F520-W524 VanDerWaalsContact CE2-CD1 3.4Å; F520-W524 AromaticContact CE2-NE1 3.33Å; F520-W524 VanDerWaalsContact CE2-NE1 3.33Å; F520-W524 AromaticContact CZ-CD1 3.72Å; F520-W524 AromaticContact CZ-NE1 3.91Å; F520-W524 VanDerWaalsContact O-CD1 3.32Å; F520-W524 PolarHBondContact O-N 2.91Å; F520-W524 VanDerWaalsContact O-N 3.12Å; E522-W524 VanDerWaalsContact C-N 3.27Å; E522-W524 PolarHBondContact O-N 2.94Å; W524-L526 HydrophobicContact CB-CD1 4.04Å; W524-L526 HydrophobicContact CB-CG 4.2Å; W524-L526 PolarHBondContact O-N 2.99Å; W524-L526 VanDerWaalsContact O-N 3.12Å |
| 525 | G | 93.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 25.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P444 L521 E522 Q523 Y529 | P444-G525 WeakPolarHBondContact CD-O 3.42Å; L521-G525 PolarHBondContact O-N 3.48Å; E522-G525 PolarHBondContact O-N 3.27Å; Q523-G525 VanDerWaalsContact C-N 3.3Å; G525-Y529 WeakPolarHBondContact O-CB 3.22Å |
| 526 | L | 95.6 | Very high | 84.5 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -84.4 | -21.1 | 175.9 | -66.7 | 168.2 | 0 | 0 | 0 | 111.6 | I443 W449 F450 L521 W524 | I443-L526 HydrophobicContact CG2-CD2 4.15Å; W449-L526 HydrophobicContact CH2-CD1 4.42Å; F450-L526 HydrophobicContact CB-CD1 4.12Å; F450-L526 HydrophobicContact CB-CD2 3.76Å; F450-L526 HydrophobicContact CD1-CD2 3.75Å; F450-L526 HydrophobicContact CD2-CD1 3.49Å; F450-L526 VanDerWaalsContact CD2-CD1 3.49Å; F450-L526 HydrophobicContact CD2-CD2 4.18Å; F450-L526 HydrophobicContact CD2-CG 4.47Å; F450-L526 HydrophobicContact CE1-CD2 4.41Å; F450-L526 HydrophobicContact CE2-CD1 4Å; F450-L526 HydrophobicContact CG-CD1 3.8Å; F450-L526 HydrophobicContact CG-CD2 3.62Å; F450-L526 HydrophobicContact CG-CG 4.37Å; L521-L526 HydrophobicContact CB-CB 4.43Å; L521-L526 HydrophobicContact CD2-CB 3.86Å; L521-L526 HydrophobicContact CD2-CD1 3.66Å; L521-L526 HydrophobicContact CD2-CG 4.42Å; L521-L526 PolarHBondContact O-N 2.97Å; W524-L526 HydrophobicContact CB-CD1 4.04Å; W524-L526 HydrophobicContact CB-CG 4.2Å; W524-L526 PolarHBondContact O-N 2.99Å; W524-L526 VanDerWaalsContact O-N 3.12Å |
| 527 | I | 95.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -128 | 164.5 | 163.3 | 65.3 | 178.8 | 0 | 0 | 0 | 109.9 | V487 Y490 H518 L521 E522 Y529 | V487-I527 HydrophobicContact CG2-CG2 4.29Å; Y490-I527 HydrophobicContact CD1-CB 4.1Å; Y490-I527 HydrophobicContact CD1-CG2 4.16Å; Y490-I527 HydrophobicContact CD2-CB 4.47Å; Y490-I527 HydrophobicContact CG-CB 3.95Å; Y490-I527 HydrophobicContact CG-CG2 4.12Å; H518-I527 VanDerWaalsContact CD2-CD1 3.43Å; H518-I527 WeakPolarHBondContact CD2-CD1 3.22Å; L521-I527 HydrophobicContact CB-CD1 3.91Å; L521-I527 HydrophobicContact CB-CG1 3.86Å; L521-I527 HydrophobicContact CB-CG2 4.32Å; L521-I527 PolarHBondContact O-N 3.35Å; E522-I527 HydrophobicContact CB-CD1 4.42Å; E522-I527 HydrophobicContact CB-CG1 4.06Å; I527-Y529 PolarHBondContact O-N 3.39Å |
| 528 | N | 94.2 | Very high | 78.1 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 8% | 0.075 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 59.7 | -4.6 | 174.9 | -61.4 | -18.4 | 0 | 0 | 0 | 117.7 | Y490 Y497 L498 E522 Q530 V531 | Y490-N528 VanDerWaalsContact CE2-CA 3.46Å; Y490-N528 VanDerWaalsContact CZ-N 3.28Å; Y497-N528 HydrophobicContact CD2-CB 4.08Å; Y497-N528 HydrophobicContact CE2-CB 3.94Å; Y497-N528 WeakPolarHBondContact CE2-ND2 3.11Å; Y497-N528 VanDerWaalsContact CZ-ND2 3.27Å; L498-N528 WeakPolarHBondContact CB-OD1 3.15Å; L498-N528 PolarHBondContact N-OD1 3.49Å; L498-N528 PolarHBondContact O-ND2 3.36Å; E522-N528 HydrophobicContact CG-CB 4.41Å; E522-N528 WeakPolarHBondContact OE1-CB 3.44Å; E522-N528 PolarHBondContact OE1-ND2 3.45Å; N528-Q530 VanDerWaalsContact C-N 3.29Å; N528-Q530 PolarHBondContact O-N 3.15Å; N528-Q530 VanDerWaalsContact O-N 3.17Å; N528-V531 HydrophobicContact CB-CG2 4.32Å; N528-V531 WeakPolarHBondContact O-CB 3.19Å; N528-V531 WeakPolarHBondContact O-CG2 3.49Å; N528-V531 PolarHBondContact O-N 2.97Å; N528-V531 VanDerWaalsContact O-N 3.15Å |
| 529 | Y | 93 | Very high | 74.9 | Confident | 114 Ų | 114 | 66.6 Ų | 66.6 | 45% | 0.447 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.7 | -174.7 | -173.2 | -110.5 | 0 | 0 | 0 | 116.1 | V442 P444 Y490 G525 I527 | V442-Y529 HydrophobicContact CB-CD1 4.47Å; V442-Y529 HydrophobicContact CG1-CD1 4.28Å; V442-Y529 HydrophobicContact CG1-CE1 3.87Å; P444-Y529 HydrophobicContact CG-CD1 4.22Å; P444-Y529 HydrophobicContact CG-CD2 3.87Å; P444-Y529 HydrophobicContact CG-CE1 4.1Å; P444-Y529 HydrophobicContact CG-CE2 3.73Å; P444-Y529 HydrophobicContact CG-CG 4.12Å; Y490-Y529 PolarHBondContact OH-N 3.25Å; G525-Y529 WeakPolarHBondContact O-CB 3.22Å; I527-Y529 PolarHBondContact O-N 3.39Å |
| 530 | Q | 90 | Very high | 71.6 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 17% | 0.173 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 6 | -179.2 | -62.2 | 173.7 | -99.7 | 0 | 0 | 113.1 | C440 V442 Y490 P494 Q495 N528 T532 | C440-Q530 PolarHBondContact O-NE2 2.87Å; V442-Q530 HydrophobicContact CB-CG 4.03Å; V442-Q530 HydrophobicContact CG2-CG 4.44Å; V442-Q530 VanDerWaalsContact N-CD 3.31Å; Y490-Q530 WeakPolarHBondContact OH-CB 3.11Å; Y490-Q530 PolarHBondContact OH-N 2.94Å; P494-Q530 HydrophobicContact CB-CB 4.38Å; P494-Q530 CarbonylContact O-C 3.48Å; P494-Q530 WeakPolarHBondContact O-CB 3.28Å; Q495-Q530 PolarHBondContact NE2-O 3.26Å; N528-Q530 VanDerWaalsContact C-N 3.29Å; N528-Q530 PolarHBondContact O-N 3.15Å; N528-Q530 VanDerWaalsContact O-N 3.17Å; Q530-T532 PolarHBondContact O-N 2.98Å |
| 531 | V | 86.3 | Confident | 68.5 | Low | 41 Ų | 41 | 76.3 Ų | 76.3 | 25% | 0.248 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 122 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | Y490 Y497 N528 A533 | Y490-V531 HydrophobicContact CE2-CG2 4.28Å; Y497-V531 HydrophobicContact CD2-CG1 4.31Å; Y497-V531 HydrophobicContact CD2-CG2 4.46Å; N528-V531 HydrophobicContact CB-CG2 4.32Å; N528-V531 WeakPolarHBondContact O-CB 3.19Å; N528-V531 WeakPolarHBondContact O-CG2 3.49Å; N528-V531 PolarHBondContact O-N 2.97Å; N528-V531 VanDerWaalsContact O-N 3.15Å; V531-A533 PolarHBondContact O-N 3.4Å |
| 532 | T | 74 | Confident | 65.5 | Low | 93 Ų | 93 | 80.8 Ų | 80.8 | 57% | 0.571 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 122.5 | 177.5 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | Q530 | Q530-T532 PolarHBondContact O-N 2.98Š|
| 533 | A | 63.4 | Low | 62.6 | Low | 76 Ų | 76 | 82.8 Ų | 82.8 | 63% | 0.628 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 138.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V531 L535 | V531-A533 PolarHBondContact O-N 3.4Å; A533-L535 PolarHBondContact O-N 3.13Å |
| 534 | P | 54.4 | Low | 59.6 | Low | 61 Ų | 61 | 82.1 Ų | 82.1 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | trans | -65.1 | 102.3 | -176.6 | 24.1 | -31.1 | 0 | 0 | 0 | 110.3 | T536 A577 V581 | P534-T536 PolarHBondContact O-N 2.87Å; P534-A577 HydrophobicContact CB-CB 3.81Å; P534-A577 HydrophobicContact CG-CB 3.97Å; P534-V581 HydrophobicContact CG-CG2 3.68Å | ||
| 535 | L | 36.4 | Very low | 56.6 | Low | 135 Ų | 135 | 83.6 Ų | 83.6 | 71% | 0.707 | 51% | 0.509 | S | S | * | . | trans | -55.7 | 115.5 | 171.5 | -68.2 | 173.2 | 0 | 0 | 0 | 108.7 | A533 T537 | A533-L535 PolarHBondContact O-N 3.13Å; L535-T537 HydrophobicContact CB-CG2 4.3Å; L535-T537 PolarHBondContact O-N 3.09Å; L535-T537 PolarHBondContact O-OG1 3.19Å | ||
| 536 | T | 32 | Very low | 53.7 | Low | 135 Ų | 135 | 91.3 Ų | 91.3 | 83% | 0.828 | 55% | 0.55 | S | S | * | . | trans | -73.1 | 69.1 | 165.6 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | P534 I538 | P534-T536 PolarHBondContact O-N 2.87Å; T536-I538 VanDerWaalsContact C-N 3.35Å; T536-I538 PolarHBondContact O-N 3.14Å | ||
| 537 | T | 28.1 | Very low | 50.6 | Low | 97 Ų | 97 | 94.2 Ų | 94.2 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | trans | -66.5 | 89.7 | -179.6 | 17.7 | 0 | 0 | 0 | 0 | 110.9 | L535 T539 | L535-T537 HydrophobicContact CB-CG2 4.3Å; L535-T537 PolarHBondContact O-N 3.09Å; L535-T537 PolarHBondContact O-OG1 3.19Å; T537-T539 HydrophobicContact CG2-CG2 3.88Å; T537-T539 PolarHBondContact O-N 2.74Å | ||
| 538 | I | 31.3 | Very low | 47.5 | Very low | 161 Ų | 161 | 102.2 Ų | 102.2 | 83% | 0.826 | 62% | 0.621 | S | S | * | * | trans | -73.3 | 74.2 | 154.4 | -55.3 | -178 | 0 | 0 | 0 | 106.9 | T536 N540 | T536-I538 VanDerWaalsContact C-N 3.35Å; T536-I538 PolarHBondContact O-N 3.14Å; I538-N540 PolarHBondContact O-N 3.15Å | ||
| 539 | T | 28.3 | Very low | 44.6 | Very low | 91 Ų | 91 | 108.5 Ų | 108.5 | 56% | 0.558 | 65% | 0.654 | S | S | * | * | trans | -76.1 | 102.3 | 172.5 | 43.5 | 0 | 0 | 0 | 0 | 110 | T537 | T537-T539 HydrophobicContact CG2-CG2 3.88Å; T537-T539 PolarHBondContact O-N 2.74Å | ||
| 540 | N | 28 | Very low | 41.7 | Very low | 155 Ų | 155 | 109.3 Ų | 109.3 | 83% | 0.829 | 67% | 0.667 | S | S | * | * | trans | -103.7 | 60.9 | 152.2 | -90.2 | -15.6 | 0 | 0 | 0 | 109.7 | I538 S542 | I538-N540 PolarHBondContact O-N 3.15Å; N540-S542 PolarHBondContact O-N 2.97Å; N540-S542 VanDerWaalsContact O-N 3.12Å | ||
| 541 | S | 31.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -80.2 | 82.7 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 542 | S | 34.9 | Very low | 36.3 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | -162.2 | 90.5 | 162.7 | 45.9 | 0 | 0 | 0 | 0 | 109.2 | N540 | N540-S542 PolarHBondContact O-N 2.97Å; N540-S542 VanDerWaalsContact O-N 3.12Å | ||
| 543 | S | 34.2 | Very low | 34.2 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | 96.8 | 111.2 | 69.9 | 62.2 | 0 | 0 | 0 | 0 | 112 | S545 | S543-S545 PolarHBondContact O-N 3.37Å; S543-S545 VanDerWaalsContact O-N 3.09Å | |||
| 544 | S | 30.8 | Very low | 32.7 | Very low | 135 Ų | 135 | 120.3 Ų | 120.3 | 94% | 0.944 | 73% | 0.73 | S | S | * | * | trans | -64.8 | 104.6 | 172.5 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 545 | S | 33.8 | Very low | 31.5 | Very low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -155.8 | 116.2 | 152.4 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | S543 | S543-S545 PolarHBondContact O-N 3.37Å; S543-S545 VanDerWaalsContact O-N 3.09Å | ||
| 546 | N | 33.2 | Very low | 31.2 | Very low | 166 Ų | 166 | 121.2 Ų | 121.2 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | 53.9 | 94.6 | 146.6 | -54.8 | -26.4 | 0 | 0 | 0 | 118.8 | ||||
| 547 | G | 30.2 | Very low | 31.1 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | 105.6 | 126.8 | 105.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 548 | M | 29.1 | Very low | 31.2 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 84% | 0.837 | 75% | 0.748 | S | S | * | * | trans | 66 | 121.5 | 141 | -59.7 | -177.7 | -179.5 | 0 | 0 | 119.3 | ||||
| 549 | N | 33.6 | Very low | 31.2 | Very low | 145 Ų | 145 | 121.6 Ų | 121.6 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 72.9 | 143.1 | 142.7 | -58.6 | -20.8 | 0 | 0 | 0 | 117.7 | ||||
| 550 | N | 31.6 | Very low | 31 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -169.8 | 171.5 | -19.6 | -157.2 | -9.9 | 0 | 0 | 0 | 108.2 | ||||
| 551 | L | 31.4 | Very low | 31 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | trans | 66.3 | 132.8 | 164.3 | -91.1 | 64.9 | 0 | 0 | 0 | 119.4 | ||||
| 552 | N | 32.1 | Very low | 30.8 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | 43.6 | 130.6 | 134.4 | -46.8 | -12.1 | 0 | 0 | 0 | 119.8 | ||||
| 553 | G | 30.9 | Very low | 30.7 | Very low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | cis | 124.4 | 152.1 | 12.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 554 | T | 31.3 | Very low | 30.4 | Very low | 142 Ų | 142 | 122.9 Ų | 122.9 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | trans | 63.1 | 150.8 | -173.6 | 63.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 555 | S | 29.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -168.7 | 151.5 | -21.7 | -101.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 556 | T | 30 | Very low | 30.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | 58 | 91.7 | 139.6 | -50.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 557 | T | 29.1 | Very low | 30.2 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | 71.6 | 147.6 | 124.6 | -38.3 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 558 | T | 29.8 | Very low | 30.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 113.7 | 144.1 | 139.2 | -22.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 559 | I | 31.8 | Very low | 30.5 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | 87.5 | 123.1 | 164.3 | -50.4 | -175.9 | 0 | 0 | 0 | 116.2 | ||||
| 560 | C | 25 | Very low | 30.4 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -97.5 | 170.7 | 179.5 | -51.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 561 | A | 27.1 | Very low | 30.6 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | trans | 80.7 | 143.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 562 | T | 27.9 | Very low | 30.9 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 84.3 | 140.3 | 155.4 | -9.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 563 | T | 31.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | 89.6 | 77.3 | 162.5 | -29.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 564 | T | 27.9 | Very low | 32.1 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -1.2 | 127.1 | 130.9 | 34 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 565 | T | 31.8 | Very low | 32.6 | Very low | 131 Ų | 131 | 117 Ų | 117 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -161.4 | 97.4 | 131.4 | 6.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 566 | T | 30.7 | Very low | 33.3 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | 12.1 | 125.1 | 137 | 54.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 567 | T | 31.7 | Very low | 34 | Very low | 149 Ų | 149 | 109.6 Ų | 109.6 | 91% | 0.914 | 69% | 0.687 | S | S | * | * | trans | -141.8 | 134.3 | 133.5 | -66.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 568 | T | 34.4 | Very low | 34.7 | Very low | 140 Ų | 140 | 112.4 Ų | 112.4 | 86% | 0.859 | 68% | 0.683 | S | S | * | * | trans | -99 | 149 | -168.9 | 32.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 569 | G | 32.1 | Very low | 35.7 | Very low | 65 Ų | 65 | 112.2 Ų | 112.2 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | trans | -171.3 | 80.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 570 | N | 31.3 | Very low | 36.3 | Very low | 161 Ų | 161 | 107.2 Ų | 107.2 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | trans | 31.7 | 102.3 | 153.6 | -55.5 | -6.4 | 0 | 0 | 0 | 119.2 | ||||
| 571 | N | 34.1 | Very low | 37.4 | Very low | 120 Ų | 120 | 106.5 Ų | 106.5 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | trans | -157.7 | 66.1 | 159.9 | -96 | -40.5 | 0 | 0 | 0 | 111.6 | S573 S574 | N571-S573 VanDerWaalsContact C-N 3.31Å; N571-S573 PolarHBondContact O-N 2.94Å; N571-S574 WeakPolarHBondContact O-CB 3.5Å; N571-S574 PolarHBondContact O-N 3.11Å; N571-S574 PolarHBondContact O-OG 2.95Å | ||
| 572 | S | 37.6 | Very low | 38.2 | Very low | 107 Ų | 107 | 104.7 Ų | 104.7 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -29.6 | -174.6 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | S574 E575 | S572-S574 PolarHBondContact O-N 3.47Å; S572-E575 PolarHBondContact O-N 3.18Å |
| 573 | S | 42.5 | Very low | 39.3 | Very low | 97 Ų | 97 | 102.3 Ų | 102.3 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.9 | -24 | 173.3 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | N571 E575 | N571-S573 VanDerWaalsContact C-N 3.31Å; N571-S573 PolarHBondContact O-N 2.94Å; S573-E575 VanDerWaalsContact C-N 3.31Å; S573-E575 PolarHBondContact O-N 3.27Å |
| 574 | S | 46.2 | Very low | 40.1 | Very low | 45 Ų | 45 | 101.8 Ų | 101.8 | 32% | 0.315 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -76 | -17.8 | 179.4 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | N571 S572 R578 | N571-S574 WeakPolarHBondContact O-CB 3.5Å; N571-S574 PolarHBondContact O-N 3.11Å; N571-S574 PolarHBondContact O-OG 2.95Å; S572-S574 PolarHBondContact O-N 3.47Å; S574-R578 WeakPolarHBondContact O-CB 3.3Å; S574-R578 WeakPolarHBondContact O-CD 3.41Å; S574-R578 VanDerWaalsContact O-CG 3.22Å; S574-R578 WeakPolarHBondContact O-CG 3.33Å; S574-R578 PolarHBondContact O-N 3.31Å |
| 575 | E | 43.1 | Very low | 41.2 | Very low | 130 Ų | 130 | 104.1 Ų | 104.1 | 61% | 0.607 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.2 | -41.1 | -171.5 | -162.2 | 166.8 | 168.3 | 0 | 0 | 112.2 | S572 S573 A577 R578 L579 | S572-E575 PolarHBondContact O-N 3.18Å; S573-E575 VanDerWaalsContact C-N 3.31Å; S573-E575 PolarHBondContact O-N 3.27Å; E575-A577 VanDerWaalsContact C-N 3.32Å; E575-A577 PolarHBondContact O-N 3.42Å; E575-R578 PolarHBondContact O-N 3.3Å; E575-L579 WeakPolarHBondContact O-CB 3.39Å; E575-L579 WeakPolarHBondContact O-CG 3.32Å; E575-L579 PolarHBondContact O-N 2.91Å |
| 576 | A | 43.6 | Very low | 43.2 | Very low | 40 Ų | 40 | 100.4 Ų | 100.4 | 33% | 0.331 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.1 | -40.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L579 A580 | A576-L579 PolarHBondContact O-N 2.89Å; A576-A580 PolarHBondContact O-N 3.27Å |
| 577 | A | 44.8 | Very low | 45.5 | Very low | 20 Ų | 20 | 100.4 Ų | 100.4 | 17% | 0.165 | 63% | 0.628 | C | S | . | * | H | α-helix | trans | -69.7 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P534 E575 L579 A580 V581 | P534-A577 HydrophobicContact CB-CB 3.81Å; P534-A577 HydrophobicContact CG-CB 3.97Å; E575-A577 VanDerWaalsContact C-N 3.32Å; E575-A577 PolarHBondContact O-N 3.42Å; A577-L579 VanDerWaalsContact C-N 3.33Å; A577-A580 PolarHBondContact O-N 2.67Å; A577-V581 PolarHBondContact O-N 2.87Å |
| 578 | R | 44 | Very low | 47.6 | Very low | 183 Ų | 183 | 98.6 Ų | 98.6 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63 | -37.5 | 170.3 | -76.6 | 167.2 | 173.3 | -121 | -5 | 112.4 | S574 E575 V581 A582 | S574-R578 WeakPolarHBondContact O-CB 3.3Å; S574-R578 WeakPolarHBondContact O-CD 3.41Å; S574-R578 VanDerWaalsContact O-CG 3.22Å; S574-R578 WeakPolarHBondContact O-CG 3.33Å; S574-R578 PolarHBondContact O-N 3.31Å; E575-R578 PolarHBondContact O-N 3.3Å; R578-V581 PolarHBondContact O-N 3.05Å; R578-A582 PolarHBondContact O-N 3.23Å |
| 579 | L | 50.3 | Low | 49.7 | Very low | 117 Ų | 117 | 96 Ų | 96 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.3 | -31.1 | 176.3 | -75 | 164.9 | 0 | 0 | 0 | 112.9 | E575 A576 A577 A582 | E575-L579 WeakPolarHBondContact O-CB 3.39Å; E575-L579 WeakPolarHBondContact O-CG 3.32Å; E575-L579 PolarHBondContact O-N 2.91Å; A576-L579 PolarHBondContact O-N 2.89Å; A577-L579 VanDerWaalsContact C-N 3.33Å; L579-A582 PolarHBondContact O-N 2.97Å |
| 580 | A | 45.3 | Very low | 52.1 | Low | 51 Ų | 51 | 97.1 Ų | 97.1 | 42% | 0.421 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -41.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A576 A577 A582 A583 | A576-A580 PolarHBondContact O-N 3.27Å; A577-A580 PolarHBondContact O-N 2.67Å; A580-A582 VanDerWaalsContact C-N 3.28Å; A580-A582 PolarHBondContact O-N 2.89Å; A580-A583 VanDerWaalsContact O-CB 3.23Å; A580-A583 WeakPolarHBondContact O-CB 3.19Å; A580-A583 PolarHBondContact O-N 2.76Å |
| 581 | V | 46.9 | Very low | 54.4 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.5 | -31.2 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | P534 A577 R578 A583 | P534-V581 HydrophobicContact CG-CG2 3.68Å; A577-V581 PolarHBondContact O-N 2.87Å; R578-V581 PolarHBondContact O-N 3.05Å; V581-A583 PolarHBondContact O-N 3.02Å |
| 582 | A | 45.5 | Very low | 56.4 | Low | 50 Ų | 50 | 93.8 Ų | 93.8 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -6.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R578 L579 A580 S584 | R578-A582 PolarHBondContact O-N 3.23Å; L579-A582 PolarHBondContact O-N 2.97Å; A580-A582 VanDerWaalsContact C-N 3.28Å; A580-A582 PolarHBondContact O-N 2.89Å; A582-S584 PolarHBondContact O-N 3.08Å |
| 583 | A | 50.6 | Low | 58.5 | Low | 82 Ų | 82 | 94.3 Ų | 94.3 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -12.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A580 V581 | A580-A583 VanDerWaalsContact O-CB 3.23Å; A580-A583 WeakPolarHBondContact O-CB 3.19Å; A580-A583 PolarHBondContact O-N 2.76Å; V581-A583 PolarHBondContact O-N 3.02Å |
| 584 | S | 48.4 | Very low | 60 | Low | 106 Ų | 106 | 94.7 Ų | 94.7 | 74% | 0.741 | 57% | 0.569 | S | S | * | * | trans | -137.1 | 88.8 | 171 | -71.4 | 0 | 0 | 0 | 0 | 110.6 | A582 G586 | A582-S584 PolarHBondContact O-N 3.08Å; S584-G586 PolarHBondContact O-N 3.49Å | ||
| 585 | L | 51.1 | Low | 61.5 | Low | 172 Ų | 172 | 99.5 Ų | 99.5 | 90% | 0.901 | 59% | 0.59 | S | S | * | * | trans | -70.9 | 70.2 | 170.7 | -77.8 | 165.9 | 0 | 0 | 0 | 111.2 | ||||
| 586 | G | 72.3 | Confident | 63 | Low | 54 Ų | 54 | 100.3 Ų | 100.3 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 173.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S584 | S584-G586 PolarHBondContact O-N 3.49Š|
| 587 | P | 79.8 | Confident | 64.2 | Low | 118 Ų | 118 | 102.3 Ų | 102.3 | 77% | 0.766 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 156.3 | 165.5 | 29.8 | -35.2 | 0 | 0 | 0 | 110.8 | ||
| 588 | P | 76 | Confident | 65.1 | Low | 111 Ų | 111 | 109.4 Ų | 109.4 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.8 | 170.7 | 27.6 | -35 | 0 | 0 | 0 | 110.3 | T590 | P588-T590 PolarHBondContact O-N 3.23Å; P588-T590 VanDerWaalsContact O-N 3.08Å |
| 589 | S | 79.2 | Confident | 65.7 | Low | 86 Ų | 86 | 104.6 Ų | 104.6 | 60% | 0.601 | 64% | 0.643 | S | S | * | * | trans | -61.1 | 114.7 | -177.1 | -178 | 0 | 0 | 0 | 0 | 111.5 | A591 H592 | S589-A591 PolarHBondContact O-N 3.27Å; S589-H592 PolarHBondContact O-CE1 2.97Å; S589-H592 VanDerWaalsContact O-CE1 3.24Å; S589-H592 PolarHBondContact O-ND1 3.18Å | ||
| 590 | T | 81.9 | Confident | 65.8 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 53% | 0.534 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -80.4 | 0.8 | 179.2 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | P588 H592 F593 | P588-T590 PolarHBondContact O-N 3.23Å; P588-T590 VanDerWaalsContact O-N 3.08Å; T590-H592 PolarHBondContact O-N 2.96Å; T590-F593 HydrophobicContact CG2-CD2 3.96Å; T590-F593 HydrophobicContact CG2-CE2 3.5Å; T590-F593 VanDerWaalsContact CG2-CE2 3.5Å; T590-F593 HydrophobicContact CG2-CZ 4.22Å; T590-F593 WeakPolarHBondContact O-CB 3.13Å; T590-F593 WeakPolarHBondContact O-CG 3.39Å; T590-F593 PolarHBondContact O-N 2.86Å |
| 591 | A | 78.7 | Confident | 66.2 | Low | 80 Ų | 80 | 107.4 Ų | 107.4 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -62.9 | -12.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S589 | S589-A591 PolarHBondContact O-N 3.27Š|
| 592 | H | 77.5 | Confident | 66.5 | Low | 131 Ų | 131 | 105.8 Ų | 105.8 | 61% | 0.606 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -94.6 | 3.2 | 175.7 | 72.2 | -81.1 | 0 | 0 | 0 | 113.6 | S589 T590 | S589-H592 PolarHBondContact O-CE1 2.97Å; S589-H592 VanDerWaalsContact O-CE1 3.24Å; S589-H592 PolarHBondContact O-ND1 3.18Å; T590-H592 PolarHBondContact O-N 2.96Å |
| 593 | F | 80 | Confident | 66.8 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 52% | 0.518 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -83.8 | 135.1 | 176.9 | -64.3 | -17.7 | 0 | 0 | 0 | 111.3 | T590 I595 | T590-F593 HydrophobicContact CG2-CD2 3.96Å; T590-F593 HydrophobicContact CG2-CE2 3.5Å; T590-F593 VanDerWaalsContact CG2-CE2 3.5Å; T590-F593 HydrophobicContact CG2-CZ 4.22Å; T590-F593 WeakPolarHBondContact O-CB 3.13Å; T590-F593 WeakPolarHBondContact O-CG 3.39Å; T590-F593 PolarHBondContact O-N 2.86Å; F593-I595 PolarHBondContact O-N 3.01Å |
| 594 | H | 75.4 | Confident | 67.2 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 49% | 0.486 | 71% | 0.71 | S | S | . | * | trans | -67.8 | 113.4 | 171.3 | -62.2 | -84.5 | 0 | 0 | 0 | 110.4 | ||||
| 595 | I | 76.9 | Confident | 67.1 | Low | 147 Ų | 147 | 116.8 Ų | 116.8 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -89.5 | 108.1 | 178.7 | -57.2 | 177.8 | 0 | 0 | 0 | 108.8 | F593 | F593-I595 PolarHBondContact O-N 3.01Š| ||
| 596 | L | 75.3 | Confident | 66.8 | Low | 146 Ų | 146 | 116.2 Ų | 116.2 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -84.4 | 135.1 | 173.9 | -57.8 | -179.6 | 0 | 0 | 0 | 110.5 | ||||
| 597 | A | 68.7 | Low | 65.4 | Low | 83 Ų | 83 | 116.9 Ų | 116.9 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | trans | -87.4 | 110.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S599 | A597-S599 PolarHBondContact O-N 2.61Å; A597-S599 PolarHBondContact O-OG 2.73Å | ||
| 598 | D | 62.9 | Low | 63.3 | Low | 168 Ų | 168 | 117.3 Ų | 117.3 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | -69.2 | 93.5 | 171.6 | -171.5 | 13.2 | 0 | 0 | 0 | 110.1 | A600 | D598-A600 PolarHBondContact O-N 2.71Š| ||
| 599 | S | 57.2 | Low | 61.6 | Low | 82 Ų | 82 | 120.5 Ų | 120.5 | 57% | 0.573 | 72% | 0.72 | S | S | * | * | trans | -92.7 | 102.6 | -171.8 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | A597 S601 | A597-S599 PolarHBondContact O-N 2.61Å; A597-S599 PolarHBondContact O-OG 2.73Å; S599-S601 PolarHBondContact O-N 3.06Å; S599-S601 PolarHBondContact O-OG 3.39Å | ||
| 600 | A | 53 | Low | 59.4 | Low | 94 Ų | 94 | 123.8 Ų | 123.8 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | trans | -51.8 | 114.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D598 G602 | D598-A600 PolarHBondContact O-N 2.71Å; A600-G602 PolarHBondContact O-N 3.14Å | ||
| 601 | S | 52.8 | Low | 57.1 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 94% | 0.937 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -74.7 | 86.3 | -164.2 | -68.2 | 0 | 0 | 0 | 0 | 112.3 | S599 | S599-S601 PolarHBondContact O-N 3.06Å; S599-S601 PolarHBondContact O-OG 3.39Å |
| 602 | G | 52.4 | Low | 54.9 | Low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -166 | 4.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | A600 | A600-G602 PolarHBondContact O-N 3.14Š|
| 603 | L | 53.6 | Low | 52.8 | Low | 172 Ų | 172 | 124.6 Ų | 124.6 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -127.5 | 6.9 | -174.3 | -77.8 | 172.7 | 0 | 0 | 0 | 116.1 | ||
| 604 | Q | 57.7 | Low | 50.5 | Low | 179 Ų | 179 | 125.2 Ų | 125.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -95.3 | 136.3 | 167.4 | -74.4 | -166.5 | -9.6 | 0 | 0 | 111.1 | ||
| 605 | P | 46.1 | Very low | 48.5 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 138.8 | 165.6 | 29.8 | -33.3 | 0 | 0 | 0 | 109.6 | G607 | P605-G607 PolarHBondContact O-N 2.81Š| ||
| 606 | I | 45.9 | Very low | 46.3 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | trans | -68.2 | 101.1 | -178.6 | -60.2 | 175.3 | 0 | 0 | 0 | 109.4 | T608 | I606-T608 PolarHBondContact O-N 2.96Å; I606-T608 VanDerWaalsContact O-N 3.1Å | ||
| 607 | G | 42.9 | Very low | 44.4 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | -70.4 | 100.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P605 Q609 | P605-G607 PolarHBondContact O-N 2.81Å; G607-Q609 PolarHBondContact O-N 3.21Å | ||
| 608 | T | 35.7 | Very low | 42.8 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -77 | 45.2 | 174.2 | 45.6 | 0 | 0 | 0 | 0 | 113 | I606 | I606-T608 PolarHBondContact O-N 2.96Å; I606-T608 VanDerWaalsContact O-N 3.1Å | ||
| 609 | Q | 39.9 | Very low | 41.3 | Very low | 177 Ų | 177 | 123.4 Ų | 123.4 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -137 | 75.5 | -178.8 | -65.1 | -64 | -9.2 | 0 | 0 | 111.1 | G607 | G607-Q609 PolarHBondContact O-N 3.21Š| ||
| 610 | N | 33.2 | Very low | 40.2 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -118.3 | 65.6 | 174.8 | -167.9 | -1.2 | 0 | 0 | 0 | 111.1 | ||||
| 611 | L | 33.9 | Very low | 39.1 | Very low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -160.1 | 65.4 | 166 | -145.8 | 77 | 0 | 0 | 0 | 113.9 | ||||
| 612 | A | 32.4 | Very low | 38.1 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -136.1 | 14 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 613 | G | 33.1 | Very low | 37.1 | Very low | 40 Ų | 40 | 129.8 Ų | 129.8 | 41% | 0.412 | 76% | 0.759 | S | S | . | * | trans | -120.4 | 152.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 614 | T | 30.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 73.1 | 139.9 | -168.1 | 76.5 | 0 | 0 | 0 | 0 | 115 | ||
| 615 | N | 33.3 | Very low | 35 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | 63.7 | 83.5 | -166.7 | -47.8 | -50.9 | 0 | 0 | 0 | 112.3 | ||||
| 616 | S | 32.2 | Very low | 34.4 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | cis | 65.8 | 146.7 | 47.2 | -156.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 617 | I | 35.9 | Very low | 33.9 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | 78.2 | 109.4 | 175.2 | -57 | 170 | 0 | 0 | 0 | 115.9 | ||||
| 618 | I | 34.4 | Very low | 33.4 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | -55.2 | 121.9 | 154 | -60.5 | 158.2 | 0 | 0 | 0 | 107.3 | P620 | I618-P620 WeakPolarHBondContact O-CD 3.38Å; I618-P620 VanDerWaalsContact O-N 3.09Å | ||
| 619 | P | 31.1 | Very low | 33.3 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -62.6 | 113.4 | -173.8 | 23.7 | -33.2 | 0 | 0 | 0 | 111 | ||||
| 620 | P | 33.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | -82.8 | 124.5 | -169.2 | 31.5 | -33.2 | 0 | 0 | 0 | 111.5 | I618 T622 | I618-P620 WeakPolarHBondContact O-CD 3.38Å; I618-P620 VanDerWaalsContact O-N 3.09Å; P620-T622 PolarHBondContact O-N 2.82Å; P620-T622 VanDerWaalsContact O-N 3.13Å | ||
| 621 | I | 30.8 | Very low | 32.6 | Very low | 163 Ų | 163 | 122.7 Ų | 122.7 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | -82.2 | 86.3 | 175.4 | -52.6 | 174.1 | 0 | 0 | 0 | 109.4 | ||||
| 622 | T | 32.9 | Very low | 32.5 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | -177.7 | 109.9 | 143 | 28.7 | 0 | 0 | 0 | 0 | 114.5 | P620 | P620-T622 PolarHBondContact O-N 2.82Å; P620-T622 VanDerWaalsContact O-N 3.13Å | ||
| 623 | T | 30.6 | Very low | 32.2 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | 59.1 | 137.4 | 126.6 | -23.4 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 624 | T | 34 | Very low | 31.9 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | 106.9 | 92.9 | 153.4 | 66.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 625 | N | 33.5 | Very low | 31.8 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | 47.2 | 118.7 | 120 | -65.1 | 16.8 | 0 | 0 | 0 | 119.2 | |||||
| 626 | N | 34 | Very low | 31.5 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -179.4 | 159.2 | 49.9 | -100.8 | -14 | 0 | 0 | 0 | 114.3 | ||||
| 627 | N | 33.4 | Very low | 31.3 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | trans | 67.1 | 102.2 | 148.3 | -64.3 | 4.2 | 0 | 0 | 0 | 123.1 | ||||
| 628 | S | 34.4 | Very low | 31 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | 121.2 | 119.5 | 109.5 | 70 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 629 | T | 33 | Very low | 30.7 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | 75 | 101.7 | 147.2 | 43.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 630 | I | 31 | Very low | 30.6 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | 95.9 | 139.3 | 126.7 | -66.3 | 165.6 | 0 | 0 | 0 | 119.4 | |||||
| 631 | D | 27.5 | Very low | 30.4 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | 63.5 | 98.1 | 179 | -61.2 | -31.3 | 0 | 0 | 0 | 117.5 | ||||
| 632 | N | 30.3 | Very low | 30.3 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | 67 | 111.1 | 65.4 | -60.7 | -45.9 | 0 | 0 | 0 | 113.4 | |||||
| 633 | S | 26 | Very low | 30 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | cis | -150.1 | 102.6 | -7.2 | -66.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 634 | S | 28.3 | Very low | 29.9 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | trans | -155.1 | 152.3 | -179.2 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 635 | N | 27.5 | Very low | 29.7 | Very low | 145 Ų | 145 | 122 Ų | 122 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | trans | 61 | 169.9 | 174.5 | -56.1 | -19.8 | 0 | 0 | 0 | 116.1 | ||||
| 636 | I | 28.5 | Very low | 29.5 | Very low | 158 Ų | 158 | 120.6 Ų | 120.6 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | 66.3 | 133.3 | 160.1 | -67.3 | 158 | 0 | 0 | 0 | 114.8 | ||||
| 637 | T | 27.3 | Very low | 29.2 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 64% | 0.644 | 71% | 0.71 | S | S | * | * | cis | -171.3 | -172.1 | -9.4 | -91 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 638 | T | 29.6 | Very low | 29.1 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | 72.1 | 107.2 | 167.9 | 20.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 639 | T | 28.3 | Very low | 29 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | cis | 54.6 | 122 | 41.2 | -21.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 640 | T | 28.2 | Very low | 28.9 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 61% | 0.613 | 72% | 0.722 | S | S | * | * | -176.8 | 119.9 | 73 | -70.3 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 641 | T | 29.4 | Very low | 28.9 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | 66.2 | 174.2 | 93.9 | -34.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 642 | T | 28.8 | Very low | 29.2 | Very low | 82 Ų | 82 | 125 Ų | 125 | 50% | 0.503 | 73% | 0.728 | S | S | . | * | trans | 70.6 | 84.4 | 159.5 | 35.9 | 0 | 0 | 0 | 0 | 119.3 | T644 | T642-T644 WeakPolarHBondContact CA-OG1 3.44Å; T642-T644 WeakPolarHBondContact CB-OG1 3.42Å; T642-T644 HydrophobicContact CG2-CG2 3.77Å; T642-T644 WeakPolarHBondContact CG2-OG1 3.27Å; T642-T644 PolarHBondContact O-OG1 3.14Å | ||
| 643 | T | 26.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | -120.6 | 104.7 | 113 | 51.3 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 644 | T | 28.7 | Very low | 29.5 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 57% | 0.571 | 73% | 0.732 | S | S | * | * | cis | 57.9 | 80.2 | 37.3 | 24.2 | 0 | 0 | 0 | 0 | 114.8 | T642 | T642-T644 WeakPolarHBondContact CA-OG1 3.44Å; T642-T644 WeakPolarHBondContact CB-OG1 3.42Å; T642-T644 HydrophobicContact CG2-CG2 3.77Å; T642-T644 WeakPolarHBondContact CG2-OG1 3.27Å; T642-T644 PolarHBondContact O-OG1 3.14Å | ||
| 645 | L | 28.5 | Very low | 29.7 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | trans | -136.6 | 118.1 | 147.4 | -71.1 | 174.8 | 0 | 0 | 0 | 106.2 | ||||
| 646 | T | 30.5 | Very low | 29.8 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | S | Bend | cis | -135.1 | 168.8 | -11.3 | 65.4 | 0 | 0 | 0 | 0 | 107.3 | ||
| 647 | D | 28.1 | Very low | 29.9 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | S | Bend | cis | -133 | 154.1 | 20.4 | -62.2 | -55.7 | 0 | 0 | 0 | 112.9 | ||
| 648 | G | 29.6 | Very low | 30.1 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 101.3 | 102.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 649 | N | 32.5 | Very low | 30.4 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | 72.9 | 87.3 | 156.4 | -55.2 | -16.9 | 0 | 0 | 0 | 119.2 | ||||
| 650 | Q | 31.8 | Very low | 30.6 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | 72 | 90.4 | 117.5 | -167.4 | 173.4 | 19.6 | 0 | 0 | 119.1 | |||||
| 651 | L | 31.6 | Very low | 31.1 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | -166.2 | 97.6 | 129.9 | -106.7 | 169 | 0 | 0 | 0 | 111.7 | |||||
| 652 | D | 31.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | -103.6 | 172 | 174.3 | -82.9 | -58.4 | 0 | 0 | 0 | 111 | ||||
| 653 | P | 33.5 | Very low | 31.6 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | cis | -135.6 | 155.5 | -37.5 | 36.1 | -21.4 | 0 | 0 | 0 | 112.5 | ||||
| 654 | Y | 29.7 | Very low | 32 | Very low | 242 Ų | 242 | 131 Ų | 131 | 95% | 0.949 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -153.8 | 33.7 | 164.6 | -111 | -63.2 | 0 | 0 | 0 | 114.8 | ||
| 655 | K | 32.4 | Very low | 32.4 | Very low | 203 Ų | 203 | 133 Ų | 133 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -156.6 | 55.2 | 176.6 | -138.3 | 176.4 | -173 | -177 | 0 | 117.2 | ||
| 656 | I | 30.7 | Very low | 32.6 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -140 | 158.3 | 163.4 | -94 | 159.5 | 0 | 0 | 0 | 107.6 | ||||
| 657 | Q | 30 | Very low | 32.7 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 52% | 0.519 | 72% | 0.722 | S | S | . | * | trans | 63.4 | 82.4 | 174.1 | -72.7 | 159.8 | -4.6 | 0 | 0 | 117.4 | D1001 | Q657-D1001 WeakPolarHBondContact CG-OD1 3.32Å; Q657-D1001 PolarHBondContact NE2-OD1 3.27Å | ||
| 658 | S | 31.6 | Very low | 32.9 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | -146.4 | 80.8 | 135.5 | 66.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 659 | N | 35 | Very low | 32.9 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 177.4 | 65 | 159.8 | -89.2 | -13.9 | 0 | 0 | 0 | 112.6 | ||
| 660 | N | 34.3 | Very low | 32.8 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 52% | 0.524 | 71% | 0.714 | S | S | . | * | trans | 64.1 | 112.3 | 135.7 | -70.1 | 65.6 | 0 | 0 | 0 | 123 | H999 | N660-H999 PolarHBondContact O-CE1 3.04Š| ||
| 661 | D | 37.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | 88.4 | 59.2 | 123.1 | -60.7 | -48.2 | 0 | 0 | 0 | 122.2 | D1001 | D661-D1001 PolarHBondContact N-OD2 3.16Š| |||
| 662 | G | 36.4 | Very low | 32.8 | Very low | 36 Ų | 36 | 125.6 Ų | 125.6 | 37% | 0.371 | 70% | 0.701 | S | S | . | * | trans | 86.1 | 176.6 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | D1000 | G662-D1000 PolarHBondContact N-OD1 3.15Š| ||
| 663 | N | 33.1 | Very low | 32.8 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 89% | 0.888 | 70% | 0.695 | S | S | * | * | cis | -160.4 | 130.8 | 7.5 | 161.9 | 43 | 0 | 0 | 0 | 112.5 | ||||
| 664 | G | 35 | Very low | 32.8 | Very low | 63 Ų | 63 | 124.9 Ų | 124.9 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | trans | 86.9 | 156.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 665 | N | 36.9 | Very low | 33 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | cis | -162.3 | 153.1 | -8.3 | 61.3 | -74.6 | 0 | 0 | 0 | 111.9 | ||||
| 666 | D | 33.7 | Very low | 33.1 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | 67 | 144.4 | 160.7 | -70.3 | -57.6 | 0 | 0 | 0 | 120.1 | ||||
| 667 | T | 32.1 | Very low | 33.3 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | cis | -168.4 | 153.5 | -17.6 | -114.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 668 | T | 31.3 | Very low | 33.5 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 77% | 0.767 | 68% | 0.678 | S | S | * | * | trans | 66.1 | 152.2 | 167.6 | 55.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 669 | T | 29.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 118 Ų | 118 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | cis | -173.1 | 161.7 | -21.1 | -88.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 670 | T | 31.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | trans | 68 | 114.1 | 164.8 | 34.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 671 | S | 30.3 | Very low | 33.5 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | 95.7 | 151.7 | 69.2 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 672 | I | 33.1 | Very low | 33.3 | Very low | 136 Ų | 136 | 117.6 Ų | 117.6 | 70% | 0.697 | 66% | 0.664 | S | S | * | * | cis | -148.5 | 126.1 | 11.6 | -126.4 | 145.2 | 0 | 0 | 0 | 106.1 | ||||
| 673 | S | 31.5 | Very low | 33.1 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | 71 | 146.8 | 86.8 | -46.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 674 | N | 34.2 | Very low | 33.1 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | 83.1 | 137.7 | 154.5 | -57.1 | -31.3 | 0 | 0 | 0 | 118.1 | ||||
| 675 | N | 34.2 | Very low | 32.9 | Very low | 124 Ų | 124 | 120 Ų | 120 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | cis | -172.4 | 173.4 | -10.8 | -128.2 | -29.8 | 0 | 0 | 0 | 113.7 | ||||
| 676 | I | 34 | Very low | 32.4 | Very low | 139 Ų | 139 | 119 Ų | 119 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | trans | 71.6 | 132.7 | 145.4 | -73.8 | 163.3 | 0 | 0 | 0 | 117.5 | ||||
| 677 | T | 34.5 | Very low | 32.3 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 58% | 0.583 | 67% | 0.665 | S | S | * | * | cis | -174.5 | 140.2 | -4.6 | -100.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 678 | K | 34.9 | Very low | 32.1 | Very low | 174 Ų | 174 | 119 Ų | 119 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | trans | 63.6 | 151.1 | 163 | -70.4 | 162.5 | -168.7 | 176.3 | 0 | 117.3 | ||||
| 679 | Q | 33.8 | Very low | 32.1 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | cis | -148.3 | 133.2 | -7.3 | -120.1 | 153.4 | -34.8 | 0 | 0 | 106.8 | ||||
| 680 | E | 32.9 | Very low | 32.1 | Very low | 145 Ų | 145 | 117.2 Ų | 117.2 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | 62.3 | 126.3 | 83.1 | -129.6 | -170.9 | 155.6 | 0 | 0 | 111 | |||||
| 681 | L | 34.7 | Very low | 32.2 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 61% | 0.607 | 67% | 0.673 | S | S | * | * | cis | -160.7 | 141 | 42.9 | -63.4 | 131.7 | 0 | 0 | 0 | 113.5 | ||||
| 682 | Q | 31.9 | Very low | 32.2 | Very low | 85 Ų | 85 | 118 Ų | 118 | 40% | 0.397 | 67% | 0.674 | S | S | . | * | trans | 60.1 | 153.9 | 135.8 | -55.7 | 156.8 | 11.8 | 0 | 0 | 123.3 | L1010 E1011 | Q682-L1010 VanDerWaalsContact CD-N 3.25Å; Q682-L1010 VanDerWaalsContact CD-O 3.28Å; Q682-L1010 PolarHBondContact NE2-O 3.22Å; Q682-L1010 PolarHBondContact OE1-O 2.91Å; Q682-L1010 VanDerWaalsContact OE1-O 3.1Å; Q682-E1011 PolarHBondContact OE1-O 3.26Å | ||
| 683 | G | 31.9 | Very low | 32.4 | Very low | 60 Ų | 60 | 119 Ų | 119 | 62% | 0.619 | 68% | 0.68 | S | S | * | * | cis | 125.9 | 151.9 | -15.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 684 | I | 33.6 | Very low | 32.4 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 59% | 0.585 | 69% | 0.688 | S | S | * | * | trans | 79.3 | 145.2 | 149.5 | -58.1 | 166.8 | 0 | 0 | 0 | 117.5 | ||||
| 685 | D | 29.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 119.9 Ų | 119.9 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | cis | -172.7 | -179.8 | -36.7 | -104 | -44.8 | 0 | 0 | 0 | 111.2 | ||||
| 686 | C | 27.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 120 Ų | 120 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | -61.3 | 155 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 687 | A | 31.5 | Very low | 33 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | trans | 47.6 | 143.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 688 | N | 27.9 | Very low | 33 | Very low | 157 Ų | 157 | 119.8 Ų | 119.8 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | 179.8 | 163.5 | 104.5 | -104.7 | -60 | 0 | 0 | 0 | 116.9 | |||||
| 689 | A | 29.9 | Very low | 32.9 | Very low | 81 Ų | 81 | 117.5 Ų | 117.5 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | trans | 70.9 | 159.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 690 | T | 31.2 | Very low | 32.5 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | cis | -154.2 | 161.8 | 25.5 | -37.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 691 | T | 31.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | 73.4 | 139.5 | 152.5 | 21.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 692 | T | 32.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 114.8 Ų | 114.8 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | cis | -157 | 168.4 | 0.5 | -29 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 693 | L | 37.2 | Very low | 31.6 | Very low | 155 Ų | 155 | 117.2 Ų | 117.2 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | 68.6 | 109.3 | 164.7 | -53.6 | 177.1 | 0 | 0 | 0 | 115.9 | ||||
| 694 | N | 30.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 120.4 Ų | 120.4 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | cis | 66.5 | 138.7 | 9.7 | -150.2 | 39.4 | 0 | 0 | 0 | 115.1 | ||||
| 695 | P | 41.1 | Very low | 31 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -128.9 | -160.6 | -5.6 | 37.6 | -17.9 | 0 | 0 | 0 | 113.7 | ||||
| 696 | T | 38.2 | Very low | 30.7 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | 97.8 | 121.4 | 155.7 | -41 | 0 | 0 | 0 | 0 | 116 | ||||
| 697 | V | 35.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | cis | -148.1 | 156.8 | -14.1 | 111.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 698 | P | 34.4 | Very low | 30.4 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | trans | -95.3 | -137.2 | -158.1 | 40.4 | -38.6 | 0 | 0 | 0 | 114.1 | ||||
| 699 | T | 32.5 | Very low | 30.4 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | 64 | 105.7 | -162.4 | 35.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 700 | S | 26.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | 68.6 | 156.6 | 32.7 | -31.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 701 | V | 26.9 | Very low | 30 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | 78.5 | 99.3 | -159.2 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 702 | T | 27.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 120 Ų | 120 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | 72 | 104.7 | 73.6 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | V704 | T702-V704 HydrophobicContact CG2-CG2 4.21Š| |||
| 703 | T | 25.5 | Very low | 29.5 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | -123.7 | 79.1 | 177.2 | -38.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 704 | V | 25.8 | Very low | 29 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | -85.8 | 124.6 | 164.4 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | T702 | T702-V704 HydrophobicContact CG2-CG2 4.21Š| ||
| 705 | S | 27.5 | Very low | 29.1 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 64.6 | -176 | 168 | -159.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 706 | S | 24.9 | Very low | 28.6 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 69.6 | 60.7 | 157.9 | -67.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 707 | G | 26.1 | Very low | 28 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 81% | 0.814 | 74% | 0.739 | S | S | * | * | 83.4 | -163.7 | 129.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 708 | V | 25.6 | Very low | 27.6 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | cis | -124.4 | 163.1 | 5.9 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 709 | C | 27.8 | Very low | 27.5 | Very low | 113 Ų | 113 | 124 Ų | 124 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -56.7 | -175 | 166.9 | -44.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 710 | I | 26.7 | Very low | 27.8 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | 97.6 | 115.2 | -178.7 | -57.8 | 158.2 | 0 | 0 | 0 | 111.1 | ||||
| 711 | T | 25.9 | Very low | 28 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | cis | -157.8 | 162.4 | -7 | 14.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 712 | N | 25.6 | Very low | 28.2 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | 29.5 | 116.4 | 140.6 | -44.6 | -14.7 | 0 | 0 | 0 | 116.6 | ||||
| 713 | S | 27.8 | Very low | 28.3 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | -161.2 | 142.5 | 65.3 | -108.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 714 | T | 28.1 | Very low | 28.5 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | 63.2 | 110.1 | 81.2 | -42.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 715 | Q | 31.6 | Very low | 28.9 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | cis | -147.7 | 173.2 | 25.6 | -121.4 | 155 | 43.8 | 0 | 0 | 112.5 | ||||
| 716 | P | 29.7 | Very low | 29.3 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | trans | -132.5 | -151.5 | -156.5 | 38 | -16.9 | 0 | 0 | 0 | 113.5 | ||||
| 717 | L | 26.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 71% | 0.707 | 73% | 0.734 | S | S | * | * | trans | 67.7 | 124 | 169.9 | -90 | 85.9 | 0 | 0 | 0 | 115.6 | ||||
| 718 | N | 27.6 | Very low | 29.8 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | 60.5 | 110.7 | 44 | -172 | 2.9 | 0 | 0 | 0 | 114.1 | ||||
| 719 | K | 31.8 | Very low | 30 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | -162.8 | 113.1 | 141.7 | -112.5 | 169.6 | -176.4 | -176.4 | 0 | 112.9 | ||||
| 720 | Q | 38.1 | Very low | 30.2 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 46% | 0.458 | 74% | 0.735 | S | S | . | * | trans | -72.1 | 172.1 | 148.8 | -63.3 | -174 | -4.2 | 0 | 0 | 109.9 | I722 D985 | Q720-I722 HydrophobicContact CB-CD1 4.42Å; Q720-I722 HydrophobicContact CB-CG1 4.14Å; Q720-D985 PolarHBondContact NE2-OD2 2.87Å | ||
| 721 | P | 32.2 | Very low | 30.5 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | -136 | 155.2 | 90.8 | 41 | -29.7 | 0 | 0 | 0 | 112.1 | |||||
| 722 | I | 29.5 | Very low | 30.7 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 65% | 0.646 | 73% | 0.728 | S | S | * | * | cis | 69.5 | 138.7 | 40.1 | -42.5 | 174.1 | 0 | 0 | 0 | 115 | Q720 | Q720-I722 HydrophobicContact CB-CD1 4.42Å; Q720-I722 HydrophobicContact CB-CG1 4.14Å | ||
| 723 | I | 29.2 | Very low | 31 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | trans | 118.3 | 117.8 | 154.1 | -61.2 | 166.8 | 0 | 0 | 0 | 113.6 | ||||
| 724 | G | 30.5 | Very low | 31.2 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 169.9 | 30.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 725 | D | 34.9 | Very low | 31.6 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -58.3 | 156.6 | 162.2 | -88.8 | -57.7 | 0 | 0 | 0 | 111.6 | ||||
| 726 | P | 35.8 | Very low | 31.8 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | cis | -151.5 | 172.5 | 33.3 | 43.2 | -22.7 | 0 | 0 | 0 | 119.7 | ||||
| 727 | N | 28.8 | Very low | 32 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | 32.6 | 96.5 | 144.5 | -72.8 | -79.1 | 0 | 0 | 0 | 121.7 | ||||
| 728 | L | 32.1 | Very low | 32.3 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 88% | 0.88 | 73% | 0.733 | S | S | * | * | trans | -166.5 | 120.4 | 146.8 | -125.5 | 61.4 | 0 | 0 | 0 | 106.4 | ||||
| 729 | R | 31 | Very low | 32.3 | Very low | 216 Ų | 216 | 136.7 Ų | 136.7 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | 91.3 | 118.7 | 54.1 | -171.6 | -160.9 | 172.6 | 122.8 | 1.1 | 112.7 | |||||
| 730 | T | 31.2 | Very low | 32.2 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | trans | 64.2 | 143.5 | 171.9 | 30.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 731 | D | 33.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 136 Ų | 136 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | cis | -138.9 | 144 | 8.2 | -87.8 | -55.1 | 0 | 0 | 0 | 110.5 | ||||
| 732 | Q | 29.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | 62.6 | 146.2 | 94.7 | -53.7 | -174.9 | 48.7 | 0 | 0 | 118.2 | |||||
| 733 | Y | 30.4 | Very low | 31.9 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 72.2 | 124.7 | 176.9 | -55.4 | -77.7 | 0 | 0 | 0 | 114.5 | ||||
| 734 | L | 33.9 | Very low | 31.9 | Very low | 150 Ų | 150 | 133 Ų | 133 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | cis | 63 | 129.9 | 28 | -62 | 106.5 | 0 | 0 | 0 | 113.6 | ||||
| 735 | T | 35.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | -155.5 | 162.9 | 70.2 | 39.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 736 | N | 34.7 | Very low | 31.5 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | cis | -129.1 | 137.4 | -0.8 | -85.6 | -43 | 0 | 0 | 0 | 107.7 | ||||
| 737 | A | 35.1 | Very low | 31 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | 72.2 | 132.8 | 66.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 738 | S | 31.9 | Very low | 31 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -130.6 | 134.7 | 33.7 | -157.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 739 | I | 28.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | 37.1 | 131.8 | 134.4 | -55.9 | 174.1 | 0 | 0 | 0 | 118.6 | ||||
| 740 | A | 28.6 | Very low | 30.8 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | cis | -166 | 137.7 | -13.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 741 | K | 31.5 | Very low | 30.6 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | 48.2 | 136.8 | 84.2 | -71.1 | -156.6 | 176.9 | -176.9 | 0 | 116.3 | |||||
| 742 | T | 31.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | cis | -166.9 | 173 | -17.2 | -65.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 743 | T | 31.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 80.9 | 102.3 | 150.3 | 11.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 744 | C | 27.6 | Very low | 30.5 | Very low | 116 Ų | 116 | 130 Ų | 130 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | trans | -63.4 | 157.3 | 142.2 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 745 | L | 30.1 | Very low | 30.1 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | -159.1 | 151.8 | 144.9 | -112.4 | 175.3 | 0 | 0 | 0 | 111.2 | ||||
| 746 | N | 27.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -53.4 | 152.9 | -173.5 | -49.2 | -22.6 | 0 | 0 | 0 | 113.1 | ||||
| 747 | S | 26.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | -179.1 | 161.8 | 68.5 | -81.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 748 | T | 29 | Very low | 29.5 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | trans | 61.7 | 137.4 | 153.4 | 48.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 749 | D | 28.1 | Very low | 29.4 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | cis | -160.5 | 161.3 | 11.9 | -129.6 | -12.7 | 0 | 0 | 0 | 112.6 | ||||
| 750 | I | 29.9 | Very low | 29.5 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | trans | 48.6 | 135.1 | 141.5 | -71.2 | 164.9 | 0 | 0 | 0 | 119.4 | ||||
| 751 | R | 27.7 | Very low | 29.6 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | cis | 172.4 | 158.3 | -1.5 | 176.1 | 178.9 | 176 | 167.8 | -2.3 | 107.7 | ||||
| 752 | S | 32.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 66.2 | 133 | 170.2 | 13.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 753 | Q | 26.4 | Very low | 29.6 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | cis | 61.3 | 145.4 | 23.3 | -80.3 | -145.8 | 11.4 | 0 | 0 | 116.7 | ||||
| 754 | P | 33.7 | Very low | 29.6 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | cis | -144.4 | -174.6 | -21.8 | 38.2 | -18.9 | 0 | 0 | 0 | 115.2 | ||||
| 755 | S | 25.3 | Very low | 29.9 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | trans | 73.3 | 162.2 | 141.1 | 73.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 756 | T | 31.7 | Very low | 30.2 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | 69.3 | 135.4 | 178.2 | 73 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 757 | G | 31.3 | Very low | 30.8 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | cis | 168.7 | 148.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 758 | N | 29.9 | Very low | 31.5 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | 70.7 | 115.9 | 162.3 | -84.8 | 6.8 | 0 | 0 | 0 | 122.6 | ||||
| 759 | L | 28.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | 96.3 | 140.3 | 127 | -67.2 | 167.6 | 0 | 0 | 0 | 121.7 | |||||
| 760 | D | 30.9 | Very low | 33.3 | Very low | 143 Ų | 143 | 123 Ų | 123 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | 59.1 | 140.8 | 164.6 | -54.7 | -14.7 | 0 | 0 | 0 | 120.1 | ||||
| 761 | A | 30.3 | Very low | 34.4 | Very low | 82 Ų | 82 | 121.6 Ų | 121.6 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | cis | -164.4 | 150.9 | -23.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 762 | T | 29.4 | Very low | 35.6 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | trans | 46.6 | 100.2 | 154.7 | -48.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 763 | S | 34.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 112 Ų | 112 | 85% | 0.846 | 66% | 0.656 | S | S | * | * | trans | -165.6 | 140.2 | 138.2 | -82.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 764 | Q | 30.3 | Very low | 37.8 | Very low | 137 Ų | 137 | 110.9 Ų | 110.9 | 64% | 0.64 | 65% | 0.648 | S | S | * | * | trans | -84.1 | 129.3 | 179.6 | -59.2 | 179.3 | -1.4 | 0 | 0 | 110.4 | S1116 L1117 | Q764-S1116 VanDerWaalsContact NE2-CB 3.33Å; Q764-S1116 PolarHBondContact NE2-OG 3.23Å; Q764-L1117 HydrophobicContact CG-CD1 3.83Å | ||
| 765 | S | 34.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 107.9 Ų | 107.9 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | trans | -106.7 | 119.9 | 175.6 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | I767 | S765-I767 PolarHBondContact O-N 3.25Š| ||
| 766 | V | 36.3 | Very low | 39.9 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | trans | -65.7 | 129.6 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | V768 | V766-V768 HydrophobicContact CB-CG2 4.03Å; V766-V768 HydrophobicContact CG1-CG2 3.77Å; V766-V768 PolarHBondContact O-N 3.36Å | ||
| 767 | I | 39.3 | Very low | 40.9 | Very low | 157 Ų | 157 | 100 Ų | 100 | 81% | 0.805 | 58% | 0.583 | S | S | * | * | trans | -77.2 | 83.6 | 164.6 | -57.3 | 179.1 | 0 | 0 | 0 | 107.3 | S765 N769 | S765-I767 PolarHBondContact O-N 3.25Å; I767-N769 PolarHBondContact O-N 3.37Å | ||
| 768 | V | 40.9 | Very low | 42 | Very low | 68 Ų | 68 | 105 Ų | 105 | 41% | 0.412 | 59% | 0.587 | S | S | . | * | trans | -70.6 | 114.1 | 175.1 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | V766 N770 M773 | V766-V768 HydrophobicContact CB-CG2 4.03Å; V766-V768 HydrophobicContact CG1-CG2 3.77Å; V766-V768 PolarHBondContact O-N 3.36Å; V768-N770 PolarHBondContact O-N 2.84Å; V768-M773 HydrophobicContact CG1-CE 4.35Å; V768-M773 HydrophobicContact CG1-CG 4.37Å | ||
| 769 | N | 46 | Very low | 43.4 | Very low | 81 Ų | 81 | 100.3 Ų | 100.3 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | trans | -65.7 | 103.2 | 173.3 | -88.5 | -19.4 | 0 | 0 | 0 | 109.2 | I767 K771 L772 | I767-N769 PolarHBondContact O-N 3.37Å; N769-K771 PolarHBondContact O-N 3.23Å; N769-L772 VanDerWaalsContact O-CB 3.31Å; N769-L772 WeakPolarHBondContact O-CB 3.43Å; N769-L772 PolarHBondContact O-N 3.2Å | ||
| 770 | N | 50 | Low | 45.8 | Very low | 122 Ų | 122 | 96.7 Ų | 96.7 | 65% | 0.652 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.6 | -7.1 | -179.4 | -78.3 | -18.8 | 0 | 0 | 0 | 115.1 | V768 K774 | V768-N770 PolarHBondContact O-N 2.84Å; N770-K774 WeakPolarHBondContact O-CB 3.3Å; N770-K774 WeakPolarHBondContact O-CG 3.48Å |
| 771 | K | 53.7 | Low | 48.3 | Very low | 104 Ų | 104 | 90.6 Ų | 90.6 | 45% | 0.452 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.7 | -35.3 | 169.2 | -153.9 | -174.5 | -178.8 | -166 | 0 | 112.1 | N769 K774 G775 A827 E830 | N769-K771 PolarHBondContact O-N 3.23Å; K771-K774 PolarHBondContact O-N 2.95Å; K771-G775 PolarHBondContact O-N 2.98Å; K771-A827 HydrophobicContact CD-CB 4.23Å; K771-E830 WeakPolarHBondContact CE-OE2 3.14Å; K771-E830 IonicContact NZ-OE2 2.64Å; K771-E830 PolarHBondContact NZ-OE2 2.94Å |
| 772 | L | 51.4 | Low | 51.1 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -51.3 | -179.6 | -174.2 | 67.7 | 0 | 0 | 0 | 111.3 | N769 G775 P823 | N769-L772 VanDerWaalsContact O-CB 3.31Å; N769-L772 WeakPolarHBondContact O-CB 3.43Å; N769-L772 PolarHBondContact O-N 3.2Å; L772-G775 PolarHBondContact O-N 3.43Å; L772-P823 HydrophobicContact CD1-CG 4.23Å; L772-P823 VanDerWaalsContact CD1-O 3.32Å; L772-P823 WeakPolarHBondContact CD1-O 3.5Å |
| 773 | M | 53.2 | Low | 53.8 | Low | 47 Ų | 47 | 87.2 Ų | 87.2 | 23% | 0.232 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 177.7 | -62.6 | -55.4 | -163.5 | 0 | 0 | 112.4 | V768 G775 A776 T777 | V768-M773 HydrophobicContact CG1-CE 4.35Å; V768-M773 HydrophobicContact CG1-CG 4.37Å; M773-G775 VanDerWaalsContact C-N 3.26Å; M773-G775 PolarHBondContact O-N 3.44Å; M773-A776 PolarHBondContact O-N 3.16Å; M773-A776 VanDerWaalsContact O-N 3.15Å; M773-T777 PolarHBondContact O-N 3.04Å; M773-T777 VanDerWaalsContact O-N 3.1Å; M773-T777 PolarHBondContact O-OG1 3.1Å |
| 774 | K | 53 | Low | 56.4 | Low | 154 Ų | 154 | 87 Ų | 87 | 67% | 0.67 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.5 | -24.3 | -178.6 | -80.5 | -175.3 | 173.9 | -171.1 | 0 | 114.4 | N770 K771 T777 | N770-K774 WeakPolarHBondContact O-CB 3.3Å; N770-K774 WeakPolarHBondContact O-CG 3.48Å; K771-K774 PolarHBondContact O-N 2.95Å; K774-T777 PolarHBondContact O-OG1 2.97Å; K774-T777 VanDerWaalsContact O-OG1 3.13Å |
| 775 | G | 49.6 | Very low | 59.3 | Low | 31 Ų | 31 | 81.9 Ų | 81.9 | 32% | 0.32 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.7 | -54.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K771 L772 M773 T777 Q778 | K771-G775 PolarHBondContact O-N 2.98Å; L772-G775 PolarHBondContact O-N 3.43Å; M773-G775 VanDerWaalsContact C-N 3.26Å; M773-G775 PolarHBondContact O-N 3.44Å; G775-T777 VanDerWaalsContact C-N 3.28Å; G775-T777 PolarHBondContact O-N 3.19Å; G775-Q778 PolarHBondContact O-N 2.66Å |
| 776 | A | 52.2 | Low | 61.9 | Low | 6 Ų | 6 | 76.8 Ų | 76.8 | 5% | 0.05 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -54.7 | -39 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | M773 Q778 S779 L822 | M773-A776 PolarHBondContact O-N 3.16Å; M773-A776 VanDerWaalsContact O-N 3.15Å; A776-Q778 PolarHBondContact O-N 3.1Å; A776-Q778 VanDerWaalsContact O-N 3.09Å; A776-S779 PolarHBondContact O-N 2.81Å; A776-L822 HydrophobicContact CB-CD2 4Å |
| 777 | T | 53.1 | Low | 64.5 | Low | 69 Ų | 69 | 75.1 Ų | 75.1 | 42% | 0.423 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -62.7 | -15.9 | -177 | 50.4 | 0 | 0 | 0 | 0 | 115.6 | M773 K774 G775 S779 | M773-T777 PolarHBondContact O-N 3.04Å; M773-T777 VanDerWaalsContact O-N 3.1Å; M773-T777 PolarHBondContact O-OG1 3.1Å; K774-T777 PolarHBondContact O-OG1 2.97Å; K774-T777 VanDerWaalsContact O-OG1 3.13Å; G775-T777 VanDerWaalsContact C-N 3.28Å; G775-T777 PolarHBondContact O-N 3.19Å; T777-S779 VanDerWaalsContact C-N 3.27Å; T777-S779 PolarHBondContact O-N 3.19Å |
| 778 | Q | 53.9 | Low | 67 | Low | 176 Ų | 176 | 69.5 Ų | 69.5 | 82% | 0.822 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -71.8 | -19.3 | -179 | -62.9 | -168.4 | 25.3 | 0 | 0 | 113.8 | G775 A776 | G775-Q778 PolarHBondContact O-N 2.66Å; A776-Q778 PolarHBondContact O-N 3.1Å; A776-Q778 VanDerWaalsContact O-N 3.09Å |
| 779 | S | 60.1 | Low | 69.5 | Low | 51 Ų | 51 | 66.2 Ų | 66.2 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -93.7 | 13.5 | -176 | -163.7 | 0 | 0 | 0 | 0 | 114.3 | A776 T777 W781 | A776-S779 PolarHBondContact O-N 2.81Å; T777-S779 VanDerWaalsContact C-N 3.27Å; T777-S779 PolarHBondContact O-N 3.19Å; S779-W781 VanDerWaalsContact C-N 3.25Å; S779-W781 PolarHBondContact O-N 2.82Å |
| 780 | G | 78.8 | Confident | 71.6 | Confident | 57 Ų | 57 | 66 Ų | 66 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 21.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R810 | G780-R810 PolarHBondContact O-NH2 3.09Š|
| 781 | W | 84.7 | Confident | 73.6 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 6% | 0.057 | 35% | 0.349 | C | S | . | . | trans | -91.3 | 140.1 | 170.8 | -80.3 | 69.5 | 0 | 0 | 0 | 110.3 | S779 E785 L789 V807 R810 E814 H818 | S779-W781 VanDerWaalsContact C-N 3.25Å; S779-W781 PolarHBondContact O-N 2.82Å; W781-E785 HydrophobicContact CE3-CB 3.6Å; W781-E785 HydrophobicContact CZ3-CB 3.95Å; W781-L789 HydrophobicContact CH2-CD2 4.11Å; W781-L789 HydrophobicContact CZ3-CB 4.27Å; W781-L789 HydrophobicContact CZ3-CD2 4.03Å; W781-V807 HydrophobicContact CH2-CG1 4.47Å; W781-V807 HydrophobicContact CZ3-CG1 4.25Å; W781-R810 HydrophobicContact CH2-CB 3.95Å; W781-R810 HydrophobicContact CH2-CG 3.6Å; W781-R810 HydrophobicContact CZ2-CB 4.16Å; W781-R810 HydrophobicContact CZ2-CG 3.75Å; W781-R810 HydrophobicContact CZ3-CG 4Å; W781-E814 HydrophobicContact CZ2-CB 4.02Å; W781-E814 WeakPolarHBondContact CZ2-O 3.37Å; W781-H818 AromaticContact CD1-CE1 3.98Å; W781-H818 AromaticContact CD1-ND1 3.79Å; W781-H818 HydrophobicContact CD2-CB 4.06Å; W781-H818 AromaticContact CD2-CD2 3.26Å; W781-H818 AromaticContact CD2-CE1 3.96Å; W781-H818 AromaticContact CD2-CG 3.55Å; W781-H818 AromaticContact CD2-ND1 4Å; W781-H818 AromaticContact CD2-NE2 3.55Å; W781-H818 AromaticContact CE2-CD2 3.7Å; W781-H818 AromaticContact CE2-CG 3.54Å; W781-H818 AromaticContact CE3-CD2 3.24Å; W781-H818 AromaticContact CE3-CG 3.98Å; W781-H818 AromaticContact CE3-NE2 3.63Å; W781-H818 AromaticContact CG-CD2 3.75Å; W781-H818 AromaticContact CG-CE1 3.57Å; W781-H818 AromaticContact CG-CG 3.87Å; W781-H818 AromaticContact CG-ND1 3.78Å; W781-H818 AromaticContact CG-NE2 3.56Å; W781-H818 HydrophobicContact CH2-CB 4.01Å; W781-H818 HydrophobicContact CZ2-CB 3.48Å; W781-H818 VanDerWaalsContact CZ2-CB 3.48Å; W781-H818 AromaticContact CZ2-CG 3.94Å; W781-H818 HydrophobicContact CZ3-CB 4.5Å; W781-H818 AromaticContact CZ3-CD2 3.67Å; W781-H818 AromaticContact NE1-CG 3.84Å | ||
| 782 | S | 87.9 | Confident | 75.4 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | trans | -85 | 158.3 | 170.7 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | Q784 E785 T786 | S782-Q784 PolarHBondContact O-N 3.3Å; S782-E785 WeakPolarHBondContact CB-OE2 3.47Å; S782-E785 PolarHBondContact N-OE2 3.49Å; S782-E785 PolarHBondContact O-N 3.04Å; S782-E785 WeakPolarHBondContact OG-CG 3.23Å; S782-E785 PolarHBondContact OG-N 2.99Å; S782-E785 PolarHBondContact OG-OE2 3.49Å; S782-T786 PolarHBondContact O-N 2.79Å; S782-T786 PolarHBondContact O-OG1 3.02Å | ||
| 783 | D | 86.2 | Confident | 77.2 | Confident | 85 Ų | 85 | 58 Ų | 58 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.2 | -36.4 | 173.3 | -62.4 | -1.9 | 0 | 0 | 0 | 111.2 | T786 L787 | D783-T786 PolarHBondContact O-N 3.25Å; D783-L787 WeakPolarHBondContact O-CB 3.48Å; D783-L787 VanDerWaalsContact O-CG 3.25Å; D783-L787 WeakPolarHBondContact O-CG 3.37Å; D783-L787 PolarHBondContact O-N 3.03Å |
| 784 | Q | 88.9 | Confident | 79 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 178.5 | -177.8 | 60.5 | 55.4 | 0 | 0 | 112.5 | S782 T786 L787 L788 | S782-Q784 PolarHBondContact O-N 3.3Å; Q784-T786 VanDerWaalsContact C-N 3.33Å; Q784-L787 PolarHBondContact O-N 3.29Å; Q784-L788 HydrophobicContact CG-CD1 4.37Å; Q784-L788 WeakPolarHBondContact O-CG 3.39Å; Q784-L788 PolarHBondContact O-N 2.69Å |
| 785 | E | 91.3 | Very high | 80.7 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 174.6 | -68.5 | 166.3 | 116 | 0 | 0 | 111.4 | W781 S782 L788 L789 S809 R810 | W781-E785 HydrophobicContact CE3-CB 3.6Å; W781-E785 HydrophobicContact CZ3-CB 3.95Å; S782-E785 WeakPolarHBondContact CB-OE2 3.47Å; S782-E785 PolarHBondContact N-OE2 3.49Å; S782-E785 PolarHBondContact O-N 3.04Å; S782-E785 WeakPolarHBondContact OG-CG 3.23Å; S782-E785 PolarHBondContact OG-N 2.99Å; S782-E785 PolarHBondContact OG-OE2 3.49Å; E785-L788 PolarHBondContact O-N 3.48Å; E785-L789 WeakPolarHBondContact O-CB 3.34Å; E785-L789 PolarHBondContact O-N 3.41Å; E785-S809 WeakPolarHBondContact CG-OG 3.38Å; E785-S809 PolarHBondContact OE1-OG 3.4Å; E785-R810 IonicContact OE1-CZ 2.95Å; E785-R810 IonicContact OE1-NE 2.66Å; E785-R810 PolarHBondContact OE1-NE 2.95Å; E785-R810 IonicContact OE1-NH2 3.14Å; E785-R810 PolarHBondContact OE1-NH2 3.18Å; E785-R810 IonicContact OE2-NH2 3.52Å; E785-R810 PolarHBondContact OE2-NH2 2.99Å; E785-R810 VanDerWaalsContact OE2-NH2 3.14Å |
| 786 | T | 89.7 | Confident | 82.7 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 176.7 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | S782 D783 Q784 L790 H818 L822 | S782-T786 PolarHBondContact O-N 2.79Å; S782-T786 PolarHBondContact O-OG1 3.02Å; D783-T786 PolarHBondContact O-N 3.25Å; Q784-T786 VanDerWaalsContact C-N 3.33Å; T786-L790 HydrophobicContact CG2-CD1 4.45Å; T786-L790 VanDerWaalsContact O-CG 3.3Å; T786-L790 WeakPolarHBondContact O-CG 3.46Å; T786-L790 PolarHBondContact O-N 3.11Å; T786-L790 VanDerWaalsContact O-N 3.09Å; T786-H818 PolarHBondContact OG1-NE2 3.5Å; T786-L822 HydrophobicContact CG2-CD2 3.99Å |
| 787 | L | 91.1 | Very high | 84.3 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 47% | 0.466 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 172 | -76.3 | 167 | 0 | 0 | 0 | 112.3 | D783 Q784 L789 L790 E791 | D783-L787 WeakPolarHBondContact O-CB 3.48Å; D783-L787 VanDerWaalsContact O-CG 3.25Å; D783-L787 WeakPolarHBondContact O-CG 3.37Å; D783-L787 PolarHBondContact O-N 3.03Å; Q784-L787 PolarHBondContact O-N 3.29Å; L787-L789 VanDerWaalsContact C-N 3.31Å; L787-L789 PolarHBondContact O-N 2.99Å; L787-L790 PolarHBondContact O-N 3.46Å; L787-E791 WeakPolarHBondContact O-CB 3.45Å; L787-E791 PolarHBondContact O-N 3.25Å |
| 788 | L | 92.3 | Very high | 85.9 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 174.9 | -73.6 | 167.7 | 0 | 0 | 0 | 111.9 | Q784 E785 A792 V807 | Q784-L788 HydrophobicContact CG-CD1 4.37Å; Q784-L788 WeakPolarHBondContact O-CG 3.39Å; Q784-L788 PolarHBondContact O-N 2.69Å; E785-L788 PolarHBondContact O-N 3.48Å; L788-A792 WeakPolarHBondContact O-CB 3.22Å; L788-A792 PolarHBondContact O-N 2.89Å; L788-V807 HydrophobicContact CB-CG2 4.28Å |
| 789 | L | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 174.4 | 176.6 | 61.1 | 0 | 0 | 0 | 111 | W781 E785 L787 A792 L793 V803 V807 C815 H818 F819 | W781-L789 HydrophobicContact CH2-CD2 4.11Å; W781-L789 HydrophobicContact CZ3-CB 4.27Å; W781-L789 HydrophobicContact CZ3-CD2 4.03Å; E785-L789 WeakPolarHBondContact O-CB 3.34Å; E785-L789 PolarHBondContact O-N 3.41Å; L787-L789 VanDerWaalsContact C-N 3.31Å; L787-L789 PolarHBondContact O-N 2.99Å; L789-A792 PolarHBondContact O-N 2.89Å; L789-L793 HydrophobicContact CD1-CD1 4.02Å; L789-L793 HydrophobicContact CD1-CG 4.29Å; L789-L793 HydrophobicContact CG-CD1 3.97Å; L789-L793 WeakPolarHBondContact O-CB 3.35Å; L789-L793 WeakPolarHBondContact O-CD1 3.42Å; L789-L793 WeakPolarHBondContact O-CG 3.36Å; L789-L793 PolarHBondContact O-N 3.46Å; L789-V803 HydrophobicContact CD1-CG1 3.44Å; L789-V803 VanDerWaalsContact CD1-CG1 3.44Å; L789-V807 HydrophobicContact CB-CG2 3.92Å; L789-V807 HydrophobicContact CD1-CG2 4.31Å; L789-C815 HydrophobicContact CD1-CB 3.82Å; L789-H818 HydrophobicContact CD2-CB 4.14Å; L789-F819 HydrophobicContact CD2-CB 4.46Å |
| 790 | L | 91.3 | Very high | 89 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 179.2 | -69.8 | 169.1 | 0 | 0 | 0 | 112.6 | T786 L787 L793 E794 L822 | T786-L790 HydrophobicContact CG2-CD1 4.45Å; T786-L790 VanDerWaalsContact O-CG 3.3Å; T786-L790 WeakPolarHBondContact O-CG 3.46Å; T786-L790 PolarHBondContact O-N 3.11Å; T786-L790 VanDerWaalsContact O-N 3.09Å; L787-L790 PolarHBondContact O-N 3.46Å; L790-L793 PolarHBondContact O-N 2.76Å; L790-E794 PolarHBondContact O-N 3.04Å; L790-L822 HydrophobicContact CD2-CD1 4.04Å |
| 791 | E | 91.5 | Very high | 89.5 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 172.3 | -177 | -176 | -153.8 | 0 | 0 | 111.1 | L787 L793 E794 L795 H806 | L787-E791 WeakPolarHBondContact O-CB 3.45Å; L787-E791 PolarHBondContact O-N 3.25Å; E791-L793 VanDerWaalsContact C-N 3.34Å; E791-L793 PolarHBondContact O-N 2.98Å; E791-E794 PolarHBondContact O-N 2.86Å; E791-E794 VanDerWaalsContact O-N 3.16Å; E791-L795 HydrophobicContact CG-CD1 3.98Å; E791-L795 HydrophobicContact CG-CG 4.49Å; E791-L795 WeakPolarHBondContact O-CG 3.32Å; E791-L795 PolarHBondContact O-N 2.89Å; E791-H806 VanDerWaalsContact CD-NE2 3.34Å; E791-H806 IonicContact OE2-CD2 2.94Å; E791-H806 IonicContact OE2-CE1 2.75Å; E791-H806 IonicContact OE2-NE2 3.7Å; E791-H806 PolarHBondContact OE2-NE2 2.85Å |
| 792 | A | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -34.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L788 L789 L795 Y796 V803 H806 | L788-A792 WeakPolarHBondContact O-CB 3.22Å; L788-A792 PolarHBondContact O-N 2.89Å; L789-A792 PolarHBondContact O-N 2.89Å; A792-L795 PolarHBondContact O-N 2.58Å; A792-Y796 HydrophobicContact CB-CD2 4.08Å; A792-Y796 HydrophobicContact CB-CE2 4.36Å; A792-Y796 WeakPolarHBondContact O-CB 3.21Å; A792-Y796 VanDerWaalsContact O-CD2 3.26Å; A792-Y796 WeakPolarHBondContact O-CD2 3.43Å; A792-Y796 PolarHBondContact O-N 3.48Å; A792-V803 HydrophobicContact CB-CB 4.32Å; A792-V803 HydrophobicContact CB-CG1 4.07Å; A792-V803 HydrophobicContact CB-CG2 4.34Å; A792-H806 HydrophobicContact CB-CB 3.75Å |
| 793 | L | 89.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.5 | -34 | 172.3 | -72.3 | 165.1 | 0 | 0 | 0 | 112.1 | L789 L790 E791 R797 W800 V803 F819 | L789-L793 HydrophobicContact CD1-CD1 4.02Å; L789-L793 HydrophobicContact CD1-CG 4.29Å; L789-L793 HydrophobicContact CG-CD1 3.97Å; L789-L793 WeakPolarHBondContact O-CB 3.35Å; L789-L793 WeakPolarHBondContact O-CD1 3.42Å; L789-L793 WeakPolarHBondContact O-CG 3.36Å; L789-L793 PolarHBondContact O-N 3.46Å; L790-L793 PolarHBondContact O-N 2.76Å; E791-L793 VanDerWaalsContact C-N 3.34Å; E791-L793 PolarHBondContact O-N 2.98Å; L793-R797 VanDerWaalsContact O-CA 3.22Å; L793-R797 WeakPolarHBondContact O-CA 3.32Å; L793-R797 PolarHBondContact O-N 3.12Å; L793-W800 HydrophobicContact CD2-CH2 3.69Å; L793-W800 HydrophobicContact CD2-CZ2 4.34Å; L793-W800 HydrophobicContact CD2-CZ3 3.87Å; L793-V803 HydrophobicContact CD2-CG2 4.29Å; L793-F819 HydrophobicContact CD1-CB 4.45Å; L793-F819 HydrophobicContact CD1-CD2 3.38Å; L793-F819 HydrophobicContact CD1-CE2 3.79Å; L793-F819 HydrophobicContact CD1-CG 4.04Å |
| 794 | E | 90.1 | Very high | 90.1 | Very high | 148 Ų | 148 | 64.3 Ų | 64.3 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.3 | -40.5 | 172.3 | -174.2 | 168.4 | -163.5 | 0 | 0 | 112 | L790 E791 | L790-E794 PolarHBondContact O-N 3.04Å; E791-E794 PolarHBondContact O-N 2.86Å; E791-E794 VanDerWaalsContact O-N 3.16Å |
| 795 | L | 90.4 | Very high | 90.2 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 52% | 0.524 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -75.4 | -48.1 | -179 | -69.7 | 172.7 | 0 | 0 | 0 | 114 | E791 A792 | E791-L795 HydrophobicContact CG-CD1 3.98Å; E791-L795 HydrophobicContact CG-CG 4.49Å; E791-L795 WeakPolarHBondContact O-CG 3.32Å; E791-L795 PolarHBondContact O-N 2.89Å; A792-L795 PolarHBondContact O-N 2.58Å |
| 796 | Y | 90.6 | Very high | 90.2 | Very high | 87 Ų | 87 | 67.2 Ų | 67.2 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -112.7 | -13 | -168.1 | -50 | -64 | 0 | 0 | 0 | 114.3 | A792 D798 D799 K802 H806 | A792-Y796 HydrophobicContact CB-CD2 4.08Å; A792-Y796 HydrophobicContact CB-CE2 4.36Å; A792-Y796 WeakPolarHBondContact O-CB 3.21Å; A792-Y796 VanDerWaalsContact O-CD2 3.26Å; A792-Y796 WeakPolarHBondContact O-CD2 3.43Å; A792-Y796 PolarHBondContact O-N 3.48Å; Y796-D798 PolarHBondContact O-N 3.39Å; Y796-D798 VanDerWaalsContact O-N 3.14Å; Y796-D799 PolarHBondContact O-N 3.44Å; Y796-K802 HydrophobicContact CD1-CB 3.78Å; Y796-K802 HydrophobicContact CD1-CD 3.48Å; Y796-K802 VanDerWaalsContact CD1-CD 3.48Å; Y796-K802 HydrophobicContact CD1-CG 4.29Å; Y796-K802 HydrophobicContact CD2-CB 3.77Å; Y796-K802 HydrophobicContact CE1-CB 4.2Å; Y796-K802 HydrophobicContact CE1-CD 3.78Å; Y796-K802 HydrophobicContact CE2-CB 4.21Å; Y796-K802 HydrophobicContact CG-CB 3.54Å; Y796-K802 HydrophobicContact CG-CD 4.11Å; Y796-K802 HydrophobicContact CG-CG 4.48Å; Y796-H806 HydrophobicContact CE2-CB 3.77Å; Y796-H806 AromaticContact CE2-CG 3.94Å; Y796-H806 AromaticContact CE2-ND1 3.65Å |
| 797 | R | 86.6 | Confident | 90.3 | Very high | 119 Ų | 119 | 67.3 Ų | 67.3 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -111.2 | -178.1 | -58.2 | 171 | 178.7 | -90.4 | -15 | 111.3 | L793 | L793-R797 VanDerWaalsContact O-CA 3.22Å; L793-R797 WeakPolarHBondContact O-CA 3.32Å; L793-R797 PolarHBondContact O-N 3.12Å |
| 798 | D | 85.1 | Confident | 90.1 | Very high | 118 Ų | 118 | 66.2 Ų | 66.2 | 63% | 0.631 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 1.4 | -168.1 | -39.1 | -68.1 | 0 | 0 | 0 | 113.4 | Y796 W800 | Y796-D798 PolarHBondContact O-N 3.39Å; Y796-D798 VanDerWaalsContact O-N 3.14Å; D798-W800 PolarHBondContact O-N 2.82Å; D798-W800 VanDerWaalsContact O-N 3.08Å; D798-W800 PolarHBondContact O-NE1 3.2Å |
| 799 | D | 89.5 | Confident | 89.9 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | trans | -83.7 | 78.7 | 176.7 | -169.1 | -8.8 | 0 | 0 | 0 | 111.5 | Y796 N801 K802 V803 | Y796-D799 PolarHBondContact O-N 3.44Å; D799-N801 PolarHBondContact O-N 3.33Å; D799-N801 PolarHBondContact OD1-N 3.13Å; D799-N801 PolarHBondContact OD1-ND2 3.46Å; D799-K802 PolarHBondContact O-N 2.57Å; D799-K802 IonicContact OD2-NZ 3.47Å; D799-K802 PolarHBondContact OD2-NZ 3.25Å; D799-V803 PolarHBondContact O-N 3.48Å | ||
| 800 | W | 90.2 | Very high | 89.7 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.9 | -20.7 | -176 | -63.5 | 101.3 | 0 | 0 | 0 | 115 | L793 D798 V803 A804 Q812 C815 I816 F819 | L793-W800 HydrophobicContact CD2-CH2 3.69Å; L793-W800 HydrophobicContact CD2-CZ2 4.34Å; L793-W800 HydrophobicContact CD2-CZ3 3.87Å; D798-W800 PolarHBondContact O-N 2.82Å; D798-W800 VanDerWaalsContact O-N 3.08Å; D798-W800 PolarHBondContact O-NE1 3.2Å; W800-V803 HydrophobicContact CE3-CB 4.22Å; W800-V803 HydrophobicContact CE3-CG1 4.06Å; W800-V803 HydrophobicContact CE3-CG2 4.44Å; W800-V803 HydrophobicContact CZ3-CG1 4.24Å; W800-A804 WeakPolarHBondContact O-CB 3.29Å; W800-A804 PolarHBondContact O-N 3.09Å; W800-Q812 HydrophobicContact CB-CB 4.16Å; W800-C815 HydrophobicContact CE3-CB 4.23Å; W800-C815 HydrophobicContact CZ3-CB 4.3Å; W800-I816 HydrophobicContact CB-CD1 4.29Å; W800-I816 HydrophobicContact CB-CG1 4.5Å; W800-I816 HydrophobicContact CD2-CD1 3.96Å; W800-I816 HydrophobicContact CD2-CG1 3.33Å; W800-I816 HydrophobicContact CE3-CB 4.48Å; W800-I816 HydrophobicContact CE3-CD1 4.41Å; W800-I816 HydrophobicContact CE3-CG1 3.43Å; W800-I816 VanDerWaalsContact CE3-CG1 3.43Å; W800-I816 HydrophobicContact CG-CD1 3.87Å; W800-I816 HydrophobicContact CG-CG1 3.82Å; W800-I816 HydrophobicContact CH2-CG1 4.08Å; W800-I816 HydrophobicContact CZ2-CG1 4.02Å; W800-I816 HydrophobicContact CZ3-CB 4.44Å; W800-I816 HydrophobicContact CZ3-CG1 3.8Å; W800-F819 HydrophobicContact CH2-CB 4.02Å; W800-F819 AromaticContact CH2-CD1 3.7Å; W800-F819 HydrophobicContact CH2-CD1 3.7Å; W800-F819 HydrophobicContact CH2-CE1 4.42Å; W800-F819 AromaticContact CH2-CG 3.98Å; W800-F819 HydrophobicContact CH2-CG 3.98Å; W800-F819 HydrophobicContact CZ2-CD1 4.28Å; W800-F819 HydrophobicContact CZ3-CB 4.4Å |
| 801 | N | 89.4 | Confident | 89.6 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.7 | -48 | 172.6 | -51.9 | -90.6 | 0 | 0 | 0 | 110.7 | D799 V803 A804 E805 | D799-N801 PolarHBondContact O-N 3.33Å; D799-N801 PolarHBondContact OD1-N 3.13Å; D799-N801 PolarHBondContact OD1-ND2 3.46Å; N801-V803 VanDerWaalsContact C-N 3.33Å; N801-A804 PolarHBondContact O-N 2.57Å; N801-E805 WeakPolarHBondContact O-CB 3.38Å; N801-E805 PolarHBondContact O-N 3.08Å |
| 802 | K | 90.7 | Very high | 89.5 | Confident | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.2 | -30.9 | 176.5 | -64.6 | -166.5 | -175.8 | 76.4 | 0 | 112.1 | Y796 D799 E805 H806 | Y796-K802 HydrophobicContact CD1-CB 3.78Å; Y796-K802 HydrophobicContact CD1-CD 3.48Å; Y796-K802 VanDerWaalsContact CD1-CD 3.48Å; Y796-K802 HydrophobicContact CD1-CG 4.29Å; Y796-K802 HydrophobicContact CD2-CB 3.77Å; Y796-K802 HydrophobicContact CE1-CB 4.2Å; Y796-K802 HydrophobicContact CE1-CD 3.78Å; Y796-K802 HydrophobicContact CE2-CB 4.21Å; Y796-K802 HydrophobicContact CG-CB 3.54Å; Y796-K802 HydrophobicContact CG-CD 4.11Å; Y796-K802 HydrophobicContact CG-CG 4.48Å; D799-K802 PolarHBondContact O-N 2.57Å; D799-K802 IonicContact OD2-NZ 3.47Å; D799-K802 PolarHBondContact OD2-NZ 3.25Å; K802-E805 PolarHBondContact O-N 3.03Å; K802-H806 VanDerWaalsContact O-CB 3.31Å; K802-H806 WeakPolarHBondContact O-CB 3.33Å; K802-H806 PolarHBondContact O-N 3.44Å |
| 803 | V | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 172.2 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | L789 A792 L793 D799 W800 N801 H806 V807 C815 | L789-V803 HydrophobicContact CD1-CG1 3.44Å; L789-V803 VanDerWaalsContact CD1-CG1 3.44Å; A792-V803 HydrophobicContact CB-CB 4.32Å; A792-V803 HydrophobicContact CB-CG1 4.07Å; A792-V803 HydrophobicContact CB-CG2 4.34Å; L793-V803 HydrophobicContact CD2-CG2 4.29Å; D799-V803 PolarHBondContact O-N 3.48Å; W800-V803 HydrophobicContact CE3-CB 4.22Å; W800-V803 HydrophobicContact CE3-CG1 4.06Å; W800-V803 HydrophobicContact CE3-CG2 4.44Å; W800-V803 HydrophobicContact CZ3-CG1 4.24Å; N801-V803 VanDerWaalsContact C-N 3.33Å; V803-H806 PolarHBondContact O-N 3.03Å; V803-V807 WeakPolarHBondContact O-CG2 3.42Å; V803-V807 PolarHBondContact O-N 2.95Å; V803-C815 HydrophobicContact CG1-CB 4.18Å |
| 804 | A | 91.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 70 Ų | 70 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W800 N801 H806 V807 G808 Q812 | W800-A804 WeakPolarHBondContact O-CB 3.29Å; W800-A804 PolarHBondContact O-N 3.09Å; N801-A804 PolarHBondContact O-N 2.57Å; A804-H806 VanDerWaalsContact C-N 3.32Å; A804-H806 PolarHBondContact O-N 3.06Å; A804-V807 PolarHBondContact O-N 3.48Å; A804-G808 PolarHBondContact O-N 2.94Å; A804-Q812 HydrophobicContact CB-CB 4.26Å |
| 805 | E | 91.2 | Very high | 89.4 | Confident | 159 Ų | 159 | 63 Ų | 63 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.5 | -37.1 | 176.7 | -170.9 | 176.8 | -168.2 | 0 | 0 | 112.5 | N801 K802 | N801-E805 WeakPolarHBondContact O-CB 3.38Å; N801-E805 PolarHBondContact O-N 3.08Å; K802-E805 PolarHBondContact O-N 3.03Å |
| 806 | H | 90.7 | Very high | 89.4 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -80.6 | -32.9 | 179.4 | -170.1 | 109.2 | 0 | 0 | 0 | 113.3 | E791 A792 Y796 K802 V803 A804 | E791-H806 VanDerWaalsContact CD-NE2 3.34Å; E791-H806 IonicContact OE2-CD2 2.94Å; E791-H806 IonicContact OE2-CE1 2.75Å; E791-H806 IonicContact OE2-NE2 3.7Å; E791-H806 PolarHBondContact OE2-NE2 2.85Å; A792-H806 HydrophobicContact CB-CB 3.75Å; Y796-H806 HydrophobicContact CE2-CB 3.77Å; Y796-H806 AromaticContact CE2-CG 3.94Å; Y796-H806 AromaticContact CE2-ND1 3.65Å; K802-H806 VanDerWaalsContact O-CB 3.31Å; K802-H806 WeakPolarHBondContact O-CB 3.33Å; K802-H806 PolarHBondContact O-N 3.44Å; V803-H806 PolarHBondContact O-N 3.03Å; A804-H806 VanDerWaalsContact C-N 3.32Å; A804-H806 PolarHBondContact O-N 3.06Å |
| 807 | V | 92.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 169.3 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | W781 L788 L789 V803 A804 S809 R810 | W781-V807 HydrophobicContact CH2-CG1 4.47Å; W781-V807 HydrophobicContact CZ3-CG1 4.25Å; L788-V807 HydrophobicContact CB-CG2 4.28Å; L789-V807 HydrophobicContact CB-CG2 3.92Å; L789-V807 HydrophobicContact CD1-CG2 4.31Å; V803-V807 WeakPolarHBondContact O-CG2 3.42Å; V803-V807 PolarHBondContact O-N 2.95Å; A804-V807 PolarHBondContact O-N 3.48Å; V807-S809 PolarHBondContact O-N 3.16Å; V807-R810 HydrophobicContact CG1-CB 3.86Å; V807-R810 HydrophobicContact CG1-CG 3.78Å |
| 808 | G | 86.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | trans | 72.1 | -24.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A804 | A804-G808 PolarHBondContact O-N 2.94Š| ||
| 809 | S | 87.3 | Confident | 89.5 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -103.6 | -4.1 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 115 | E785 V807 | E785-S809 WeakPolarHBondContact CG-OG 3.38Å; E785-S809 PolarHBondContact OE1-OG 3.4Å; V807-S809 PolarHBondContact O-N 3.16Å |
| 810 | R | 87.3 | Confident | 89.4 | Confident | 48 Ų | 48 | 56.7 Ų | 56.7 | 18% | 0.181 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -135.6 | 150.6 | -167.5 | -60.7 | -65.7 | 174.5 | 151.7 | 5.8 | 112.5 | G780 W781 E785 V807 E814 | G780-R810 PolarHBondContact O-NH2 3.09Å; W781-R810 HydrophobicContact CH2-CB 3.95Å; W781-R810 HydrophobicContact CH2-CG 3.6Å; W781-R810 HydrophobicContact CZ2-CB 4.16Å; W781-R810 HydrophobicContact CZ2-CG 3.75Å; W781-R810 HydrophobicContact CZ3-CG 4Å; E785-R810 IonicContact OE1-CZ 2.95Å; E785-R810 IonicContact OE1-NE 2.66Å; E785-R810 PolarHBondContact OE1-NE 2.95Å; E785-R810 IonicContact OE1-NH2 3.14Å; E785-R810 PolarHBondContact OE1-NH2 3.18Å; E785-R810 IonicContact OE2-NH2 3.52Å; E785-R810 PolarHBondContact OE2-NH2 2.99Å; E785-R810 VanDerWaalsContact OE2-NH2 3.14Å; V807-R810 HydrophobicContact CG1-CB 3.86Å; V807-R810 HydrophobicContact CG1-CG 3.78Å; R810-E814 VanDerWaalsContact CA-OE2 3.29Å; R810-E814 WeakPolarHBondContact CA-OE2 3.41Å; R810-E814 HydrophobicContact CB-CB 4.12Å; R810-E814 VanDerWaalsContact CD-CD 3.5Å; R810-E814 VanDerWaalsContact CD-OE1 3.28Å; R810-E814 WeakPolarHBondContact CD-OE1 3.33Å; R810-E814 VanDerWaalsContact CD-OE2 3.31Å; R810-E814 WeakPolarHBondContact CD-OE2 3.32Å; R810-E814 IonicContact CZ-OE1 3.86Å; R810-E814 IonicContact NE-OE1 3.59Å; R810-E814 IonicContact NH1-OE1 2.73Å; R810-E814 PolarHBondContact NH1-OE1 3.4Å |
| 811 | T | 88.9 | Confident | 89.1 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | trans | -75 | 165.6 | 173.7 | 86.3 | 0 | 0 | 0 | 0 | 111.7 | E813 E814 C815 | T811-E813 WeakPolarHBondContact CB-OE2 3.3Å; T811-E813 PolarHBondContact O-N 2.88Å; T811-E813 PolarHBondContact OG1-N 3.4Å; T811-E813 PolarHBondContact OG1-OE2 3.33Å; T811-E814 PolarHBondContact N-OE2 3.47Å; T811-E814 PolarHBondContact O-N 3.42Å; T811-E814 PolarHBondContact OG1-N 3.31Å; T811-C815 PolarHBondContact O-N 2.89Å; T811-C815 PolarHBondContact O-SG 3.03Å | ||
| 812 | Q | 90.8 | Very high | 88.8 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 174.1 | 65.6 | -179.4 | -6.3 | 0 | 0 | 111.3 | W800 A804 C815 I816 | W800-Q812 HydrophobicContact CB-CB 4.16Å; A804-Q812 HydrophobicContact CB-CB 4.26Å; Q812-C815 PolarHBondContact O-N 3.24Å; Q812-I816 WeakPolarHBondContact O-CD1 2.93Å; Q812-I816 WeakPolarHBondContact O-CG1 3.29Å; Q812-I816 PolarHBondContact O-N 2.78Å |
| 813 | E | 87 | Confident | 88.1 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 179.6 | -56.2 | 75.3 | -163 | 0 | 0 | 110.9 | T811 L817 | T811-E813 WeakPolarHBondContact CB-OE2 3.3Å; T811-E813 PolarHBondContact O-N 2.88Å; T811-E813 PolarHBondContact OG1-N 3.4Å; T811-E813 PolarHBondContact OG1-OE2 3.33Å; E813-L817 VanDerWaalsContact O-CB 3.29Å; E813-L817 WeakPolarHBondContact O-CB 3.41Å; E813-L817 VanDerWaalsContact O-CG 3.22Å; E813-L817 WeakPolarHBondContact O-CG 3.46Å; E813-L817 PolarHBondContact O-N 3.47Å |
| 814 | E | 90.2 | Very high | 87.5 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 171.4 | -73.9 | -172.9 | 100.9 | 0 | 0 | 111.5 | W781 R810 T811 I816 L817 H818 | W781-E814 HydrophobicContact CZ2-CB 4.02Å; W781-E814 WeakPolarHBondContact CZ2-O 3.37Å; R810-E814 VanDerWaalsContact CA-OE2 3.29Å; R810-E814 WeakPolarHBondContact CA-OE2 3.41Å; R810-E814 HydrophobicContact CB-CB 4.12Å; R810-E814 VanDerWaalsContact CD-CD 3.5Å; R810-E814 VanDerWaalsContact CD-OE1 3.28Å; R810-E814 WeakPolarHBondContact CD-OE1 3.33Å; R810-E814 VanDerWaalsContact CD-OE2 3.31Å; R810-E814 WeakPolarHBondContact CD-OE2 3.32Å; R810-E814 IonicContact CZ-OE1 3.86Å; R810-E814 IonicContact NE-OE1 3.59Å; R810-E814 IonicContact NH1-OE1 2.73Å; R810-E814 PolarHBondContact NH1-OE1 3.4Å; T811-E814 PolarHBondContact N-OE2 3.47Å; T811-E814 PolarHBondContact O-N 3.42Å; T811-E814 PolarHBondContact OG1-N 3.31Å; E814-I816 PolarHBondContact O-N 2.68Å; E814-L817 PolarHBondContact O-N 3.49Å; E814-H818 WeakPolarHBondContact O-CB 3.44Å; E814-H818 PolarHBondContact O-N 2.92Å |
| 815 | C | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.9 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | L789 W800 V803 T811 Q812 F819 | L789-C815 HydrophobicContact CD1-CB 3.82Å; W800-C815 HydrophobicContact CE3-CB 4.23Å; W800-C815 HydrophobicContact CZ3-CB 4.3Å; V803-C815 HydrophobicContact CG1-CB 4.18Å; T811-C815 PolarHBondContact O-N 2.89Å; T811-C815 PolarHBondContact O-SG 3.03Å; Q812-C815 PolarHBondContact O-N 3.24Å; C815-F819 WeakPolarHBondContact O-CB 3.42Å; C815-F819 PolarHBondContact O-N 3.33Å |
| 816 | I | 89.9 | Confident | 85.5 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 174.8 | -67.9 | 161.2 | 0 | 0 | 0 | 110.3 | W800 Q812 E814 H818 F819 L820 | W800-I816 HydrophobicContact CB-CD1 4.29Å; W800-I816 HydrophobicContact CB-CG1 4.5Å; W800-I816 HydrophobicContact CD2-CD1 3.96Å; W800-I816 HydrophobicContact CD2-CG1 3.33Å; W800-I816 HydrophobicContact CE3-CB 4.48Å; W800-I816 HydrophobicContact CE3-CD1 4.41Å; W800-I816 HydrophobicContact CE3-CG1 3.43Å; W800-I816 VanDerWaalsContact CE3-CG1 3.43Å; W800-I816 HydrophobicContact CG-CD1 3.87Å; W800-I816 HydrophobicContact CG-CG1 3.82Å; W800-I816 HydrophobicContact CH2-CG1 4.08Å; W800-I816 HydrophobicContact CZ2-CG1 4.02Å; W800-I816 HydrophobicContact CZ3-CB 4.44Å; W800-I816 HydrophobicContact CZ3-CG1 3.8Å; Q812-I816 WeakPolarHBondContact O-CD1 2.93Å; Q812-I816 WeakPolarHBondContact O-CG1 3.29Å; Q812-I816 PolarHBondContact O-N 2.78Å; E814-I816 PolarHBondContact O-N 2.68Å; I816-H818 VanDerWaalsContact C-N 3.33Å; I816-H818 PolarHBondContact O-N 3.21Å; I816-F819 PolarHBondContact O-N 3.41Å; I816-L820 HydrophobicContact CG2-CD1 3.79Å; I816-L820 HydrophobicContact CG2-CG 4.39Å; I816-L820 WeakPolarHBondContact O-CB 3.46Å; I816-L820 VanDerWaalsContact O-CG 3.3Å; I816-L820 WeakPolarHBondContact O-CG 3.22Å; I816-L820 PolarHBondContact O-N 2.9Å |
| 817 | L | 86.8 | Confident | 84.2 | Confident | 85 Ų | 85 | 58.3 Ų | 58.3 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -34.5 | -178 | -76.2 | 170.1 | 0 | 0 | 0 | 112.9 | E813 E814 R821 | E813-L817 VanDerWaalsContact O-CB 3.29Å; E813-L817 WeakPolarHBondContact O-CB 3.41Å; E813-L817 VanDerWaalsContact O-CG 3.22Å; E813-L817 WeakPolarHBondContact O-CG 3.46Å; E813-L817 PolarHBondContact O-N 3.47Å; E814-L817 PolarHBondContact O-N 3.49Å; L817-R821 WeakPolarHBondContact O-CB 3.42Å; L817-R821 VanDerWaalsContact O-CD 3.24Å; L817-R821 WeakPolarHBondContact O-CD 3.36Å; L817-R821 WeakPolarHBondContact O-CG 3.32Å; L817-R821 PolarHBondContact O-N 3.49Å |
| 818 | H | 87.5 | Confident | 82.8 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.4 | -46.5 | 175 | -167 | 52 | 0 | 0 | 0 | 111.1 | W781 T786 L789 E814 I816 L820 R821 L822 | W781-H818 AromaticContact CD1-CE1 3.98Å; W781-H818 AromaticContact CD1-ND1 3.79Å; W781-H818 HydrophobicContact CD2-CB 4.06Å; W781-H818 AromaticContact CD2-CD2 3.26Å; W781-H818 AromaticContact CD2-CE1 3.96Å; W781-H818 AromaticContact CD2-CG 3.55Å; W781-H818 AromaticContact CD2-ND1 4Å; W781-H818 AromaticContact CD2-NE2 3.55Å; W781-H818 AromaticContact CE2-CD2 3.7Å; W781-H818 AromaticContact CE2-CG 3.54Å; W781-H818 AromaticContact CE3-CD2 3.24Å; W781-H818 AromaticContact CE3-CG 3.98Å; W781-H818 AromaticContact CE3-NE2 3.63Å; W781-H818 AromaticContact CG-CD2 3.75Å; W781-H818 AromaticContact CG-CE1 3.57Å; W781-H818 AromaticContact CG-CG 3.87Å; W781-H818 AromaticContact CG-ND1 3.78Å; W781-H818 AromaticContact CG-NE2 3.56Å; W781-H818 HydrophobicContact CH2-CB 4.01Å; W781-H818 HydrophobicContact CZ2-CB 3.48Å; W781-H818 VanDerWaalsContact CZ2-CB 3.48Å; W781-H818 AromaticContact CZ2-CG 3.94Å; W781-H818 HydrophobicContact CZ3-CB 4.5Å; W781-H818 AromaticContact CZ3-CD2 3.67Å; W781-H818 AromaticContact NE1-CG 3.84Å; T786-H818 PolarHBondContact OG1-NE2 3.5Å; L789-H818 HydrophobicContact CD2-CB 4.14Å; E814-H818 WeakPolarHBondContact O-CB 3.44Å; E814-H818 PolarHBondContact O-N 2.92Å; I816-H818 VanDerWaalsContact C-N 3.33Å; I816-H818 PolarHBondContact O-N 3.21Å; H818-L820 VanDerWaalsContact C-N 3.33Å; H818-L820 PolarHBondContact O-N 2.63Å; H818-R821 CarbonylContact O-C 3.59Å; H818-R821 WeakPolarHBondContact O-CA 3.32Å; H818-R821 PolarHBondContact O-N 3.32Å; H818-L822 WeakPolarHBondContact O-CG 3.32Å; H818-L822 PolarHBondContact O-N 3.18Å |
| 819 | F | 89.5 | Confident | 81.6 | Confident | 73 Ų | 73 | 64 Ų | 64 | 32% | 0.32 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 175.8 | 175.5 | -111 | 0 | 0 | 0 | 112.5 | L789 L793 W800 C815 I816 R821 L822 I824 | L789-F819 HydrophobicContact CD2-CB 4.46Å; L793-F819 HydrophobicContact CD1-CB 4.45Å; L793-F819 HydrophobicContact CD1-CD2 3.38Å; L793-F819 HydrophobicContact CD1-CE2 3.79Å; L793-F819 HydrophobicContact CD1-CG 4.04Å; W800-F819 HydrophobicContact CH2-CB 4.02Å; W800-F819 AromaticContact CH2-CD1 3.7Å; W800-F819 HydrophobicContact CH2-CD1 3.7Å; W800-F819 HydrophobicContact CH2-CE1 4.42Å; W800-F819 AromaticContact CH2-CG 3.98Å; W800-F819 HydrophobicContact CH2-CG 3.98Å; W800-F819 HydrophobicContact CZ2-CD1 4.28Å; W800-F819 HydrophobicContact CZ3-CB 4.4Å; C815-F819 WeakPolarHBondContact O-CB 3.42Å; C815-F819 PolarHBondContact O-N 3.33Å; I816-F819 PolarHBondContact O-N 3.41Å; F819-R821 PolarHBondContact O-N 3.48Å; F819-L822 HydrophobicContact CD2-CD1 4.37Å; F819-L822 PolarHBondContact O-N 3.49Å; F819-I824 HydrophobicContact CE2-CD1 4.47Å |
| 820 | L | 87.8 | Confident | 80.4 | Confident | 129 Ų | 129 | 67.1 Ų | 67.1 | 68% | 0.675 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.8 | 176.4 | -68.2 | 174.5 | 0 | 0 | 0 | 114.3 | I816 H818 | I816-L820 HydrophobicContact CG2-CD1 3.79Å; I816-L820 HydrophobicContact CG2-CG 4.39Å; I816-L820 WeakPolarHBondContact O-CB 3.46Å; I816-L820 VanDerWaalsContact O-CG 3.3Å; I816-L820 WeakPolarHBondContact O-CG 3.22Å; I816-L820 PolarHBondContact O-N 2.9Å; H818-L820 VanDerWaalsContact C-N 3.33Å; H818-L820 PolarHBondContact O-N 2.63Å |
| 821 | R | 84.3 | Confident | 78.7 | Confident | 152 Ų | 152 | 66 Ų | 66 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -2 | 177.6 | -71.1 | 172.3 | -176.7 | 172.7 | 1.3 | 113.5 | L817 H818 F819 P823 | L817-R821 WeakPolarHBondContact O-CB 3.42Å; L817-R821 VanDerWaalsContact O-CD 3.24Å; L817-R821 WeakPolarHBondContact O-CD 3.36Å; L817-R821 WeakPolarHBondContact O-CG 3.32Å; L817-R821 PolarHBondContact O-N 3.49Å; H818-R821 CarbonylContact O-C 3.59Å; H818-R821 WeakPolarHBondContact O-CA 3.32Å; H818-R821 PolarHBondContact O-N 3.32Å; F819-R821 PolarHBondContact O-N 3.48Å; R821-P823 WeakPolarHBondContact O-CD 3.42Å |
| 822 | L | 82.4 | Confident | 76.9 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | trans | -67.2 | 124.6 | 175.1 | -69.5 | 178.8 | 0 | 0 | 0 | 108.9 | A776 T786 L790 H818 F819 I824 | A776-L822 HydrophobicContact CB-CD2 4Å; T786-L822 HydrophobicContact CG2-CD2 3.99Å; L790-L822 HydrophobicContact CD2-CD1 4.04Å; H818-L822 WeakPolarHBondContact O-CG 3.32Å; H818-L822 PolarHBondContact O-N 3.18Å; F819-L822 HydrophobicContact CD2-CD1 4.37Å; F819-L822 PolarHBondContact O-N 3.49Å; L822-I824 HydrophobicContact CB-CD1 4.17Å; L822-I824 HydrophobicContact CB-CG1 3.87Å; L822-I824 PolarHBondContact O-N 2.86Å | ||
| 823 | P | 76.3 | Confident | 75 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | trans | -79.6 | 62.4 | -177.2 | 32.2 | -35 | 0 | 0 | 0 | 111.2 | L772 R821 D826 | L772-P823 HydrophobicContact CD1-CG 4.23Å; L772-P823 VanDerWaalsContact CD1-O 3.32Å; L772-P823 WeakPolarHBondContact CD1-O 3.5Å; R821-P823 WeakPolarHBondContact O-CD 3.42Å; P823-D826 VanDerWaalsContact CA-OD2 3.32Å; P823-D826 WeakPolarHBondContact CA-OD2 3.4Å; P823-D826 HydrophobicContact CB-CB 3.97Å; P823-D826 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 824 | I | 77.3 | Confident | 73.3 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 46% | 0.462 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -46.4 | -173.9 | -62.2 | 165.4 | 0 | 0 | 0 | 110.2 | F819 L822 Y828 | F819-I824 HydrophobicContact CE2-CD1 4.47Å; L822-I824 HydrophobicContact CB-CD1 4.17Å; L822-I824 HydrophobicContact CB-CG1 3.87Å; L822-I824 PolarHBondContact O-N 2.86Å; I824-Y828 WeakPolarHBondContact O-CE2 3.31Å |
| 825 | E | 74.1 | Confident | 71.5 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -24.2 | -179.1 | -61.8 | -164.5 | 177.9 | 0 | 0 | 113.4 | A827 Y828 L829 | E825-A827 PolarHBondContact O-N 2.86Å; E825-A827 VanDerWaalsContact O-N 3.14Å; E825-Y828 WeakPolarHBondContact O-CA 3.31Å; E825-Y828 WeakPolarHBondContact O-CB 3.28Å; E825-Y828 PolarHBondContact O-N 3.1Å; E825-L829 PolarHBondContact O-N 3.44Å; E825-L829 VanDerWaalsContact O-N 3.09Å |
| 826 | D | 68.2 | Low | 69.5 | Low | 74 Ų | 74 | 77 Ų | 77 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.6 | -34.3 | -176.1 | -52.2 | -30 | 0 | 0 | 0 | 113.3 | P823 Y828 L829 E830 | P823-D826 VanDerWaalsContact CA-OD2 3.32Å; P823-D826 WeakPolarHBondContact CA-OD2 3.4Å; P823-D826 HydrophobicContact CB-CB 3.97Å; P823-D826 WeakPolarHBondContact CB-OD2 3.49Å; D826-Y828 PolarHBondContact O-N 3.04Å; D826-Y828 VanDerWaalsContact O-N 3.13Å; D826-L829 PolarHBondContact O-N 3.38Å; D826-E830 WeakPolarHBondContact O-CB 3.32Å; D826-E830 WeakPolarHBondContact O-CG 3.33Å; D826-E830 PolarHBondContact O-N 3.5Å |
| 827 | A | 63 | Low | 67.6 | Low | 28 Ų | 28 | 79.8 Ų | 79.8 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.7 | -20.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K771 E825 | K771-A827 HydrophobicContact CD-CB 4.23Å; E825-A827 PolarHBondContact O-N 2.86Å; E825-A827 VanDerWaalsContact O-N 3.14Å |
| 828 | Y | 62.9 | Low | 65.7 | Low | 92 Ų | 92 | 78.7 Ų | 78.7 | 36% | 0.361 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -95.7 | -40.8 | 173 | -52.6 | -86.5 | 0 | 0 | 0 | 110.8 | I824 E825 D826 E830 G831 P1123 P1125 | I824-Y828 WeakPolarHBondContact O-CE2 3.31Å; E825-Y828 WeakPolarHBondContact O-CA 3.31Å; E825-Y828 WeakPolarHBondContact O-CB 3.28Å; E825-Y828 PolarHBondContact O-N 3.1Å; D826-Y828 PolarHBondContact O-N 3.04Å; D826-Y828 VanDerWaalsContact O-N 3.13Å; Y828-E830 PolarHBondContact O-N 2.97Å; Y828-G831 PolarHBondContact O-N 2.9Å; Y828-P1123 HydrophobicContact CD1-CG 4.32Å; Y828-P1123 HydrophobicContact CE1-CG 3.78Å; Y828-P1125 WeakPolarHBondContact O-CB 3.29Å; Y828-P1125 WeakPolarHBondContact O-CG 3.48Å |
| 829 | L | 60.6 | Low | 63.9 | Low | 99 Ų | 99 | 81.9 Ų | 81.9 | 52% | 0.518 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 178.3 | -61.1 | 176.2 | 0 | 0 | 0 | 112.9 | E825 D826 G831 L1128 | E825-L829 PolarHBondContact O-N 3.44Å; E825-L829 VanDerWaalsContact O-N 3.09Å; D826-L829 PolarHBondContact O-N 3.38Å; L829-G831 PolarHBondContact O-N 3.26Å; L829-L1128 HydrophobicContact CD2-CD2 4.21Å |
| 830 | E | 62.2 | Low | 61.9 | Low | 132 Ų | 132 | 81.6 Ų | 81.6 | 62% | 0.617 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 22.7 | 178 | -61.4 | -174.1 | 145.6 | 0 | 0 | 113.8 | K771 D826 Y828 S832 | K771-E830 WeakPolarHBondContact CE-OE2 3.14Å; K771-E830 IonicContact NZ-OE2 2.64Å; K771-E830 PolarHBondContact NZ-OE2 2.94Å; D826-E830 WeakPolarHBondContact O-CB 3.32Å; D826-E830 WeakPolarHBondContact O-CG 3.33Å; D826-E830 PolarHBondContact O-N 3.5Å; Y828-E830 PolarHBondContact O-N 2.97Å; E830-S832 PolarHBondContact O-N 3.4Å |
| 831 | G | 51.5 | Low | 60 | Low | 26 Ų | 26 | 80.9 Ų | 80.9 | 27% | 0.268 | 44% | 0.438 | S | S | . | . | trans | -58.8 | 135.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y828 L829 D833 L836 | Y828-G831 PolarHBondContact O-N 2.9Å; L829-G831 PolarHBondContact O-N 3.26Å; G831-D833 PolarHBondContact O-N 3.09Å; G831-L836 WeakPolarHBondContact O-CD1 3.39Å | ||
| 832 | S | 50.3 | Low | 58.4 | Low | 122 Ų | 122 | 76.1 Ų | 76.1 | 85% | 0.853 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -73.4 | 19.3 | -170.7 | 56.8 | 0 | 0 | 0 | 0 | 115.8 | E830 | E830-S832 PolarHBondContact O-N 3.4Š|
| 833 | D | 51.8 | Low | 56.5 | Low | 77 Ų | 77 | 81.2 Ų | 81.2 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | trans | -91.7 | 128.3 | -176.5 | -66.8 | -32.9 | 0 | 0 | 0 | 110.5 | G831 I835 L836 | G831-D833 PolarHBondContact O-N 3.09Å; D833-I835 PolarHBondContact O-N 3.46Å; D833-L836 HydrophobicContact CB-CD1 4.31Å; D833-L836 HydrophobicContact CB-CG 4.46Å; D833-L836 PolarHBondContact O-N 3.42Å | ||
| 834 | P | 50.7 | Low | 55 | Low | 108 Ų | 108 | 84.9 Ų | 84.9 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14 | 176.2 | 26.3 | -34.4 | 0 | 0 | 0 | 113.1 | N837 | P834-N837 PolarHBondContact O-N 3.46Š|
| 835 | I | 52.7 | Low | 53.5 | Low | 111 Ų | 111 | 86.9 Ų | 86.9 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -30.8 | 172.2 | -57 | 175.8 | 0 | 0 | 0 | 111.2 | D833 N837 L838 | D833-I835 PolarHBondContact O-N 3.46Å; I835-N837 VanDerWaalsContact C-N 3.33Å; I835-L838 VanDerWaalsContact O-CB 3.22Å; I835-L838 WeakPolarHBondContact O-CB 3.43Å; I835-L838 PolarHBondContact O-N 2.91Å |
| 836 | L | 49.8 | Very low | 52.2 | Low | 13 Ų | 13 | 88.5 Ų | 88.5 | 7% | 0.068 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -74.2 | -22.9 | 175 | -72.5 | 165 | 0 | 0 | 0 | 112.7 | G831 D833 L838 T839 S840 P1125 | G831-L836 WeakPolarHBondContact O-CD1 3.39Å; D833-L836 HydrophobicContact CB-CD1 4.31Å; D833-L836 HydrophobicContact CB-CG 4.46Å; D833-L836 PolarHBondContact O-N 3.42Å; L836-L838 PolarHBondContact O-N 3.34Å; L836-T839 WeakPolarHBondContact CA-OG1 3.35Å; L836-T839 WeakPolarHBondContact O-CA 3.26Å; L836-T839 WeakPolarHBondContact O-CB 3.25Å; L836-T839 PolarHBondContact O-N 3.11Å; L836-T839 PolarHBondContact O-OG1 3.03Å; L836-S840 PolarHBondContact O-N 2.86Å; L836-S840 PolarHBondContact O-OG 2.87Å; L836-P1125 HydrophobicContact CD1-CB 4.26Å; L836-P1125 HydrophobicContact CD1-CG 3.68Å; L836-P1125 HydrophobicContact CD2-CB 4.06Å; L836-P1125 HydrophobicContact CD2-CG 4.12Å; L836-P1125 HydrophobicContact CG-CG 4.45Å |
| 837 | N | 48.9 | Very low | 51.4 | Low | 114 Ų | 114 | 90.6 Ų | 90.6 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.9 | -16.7 | 170.4 | -83 | -25 | 0 | 0 | 0 | 113.3 | P834 I835 S840 L841 | P834-N837 PolarHBondContact O-N 3.46Å; I835-N837 VanDerWaalsContact C-N 3.33Å; N837-S840 WeakPolarHBondContact O-CB 3.44Å; N837-S840 PolarHBondContact O-N 3.15Å; N837-S840 PolarHBondContact OD1-OG 3.2Å; N837-L841 PolarHBondContact O-N 2.93Å |
| 838 | L | 47.4 | Very low | 50.9 | Low | 63 Ų | 63 | 93 Ų | 93 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 167.2 | -176.5 | 60.9 | 0 | 0 | 0 | 111.5 | I835 L836 L841 F864 A867 | I835-L838 VanDerWaalsContact O-CB 3.22Å; I835-L838 WeakPolarHBondContact O-CB 3.43Å; I835-L838 PolarHBondContact O-N 2.91Å; L836-L838 PolarHBondContact O-N 3.34Å; L838-L841 WeakPolarHBondContact O-CB 3.42Å; L838-L841 PolarHBondContact O-N 3.18Å; L838-F864 HydrophobicContact CD2-CD2 3.63Å; L838-F864 HydrophobicContact CD2-CE2 3.46Å; L838-F864 VanDerWaalsContact CD2-CE2 3.46Å; L838-F864 HydrophobicContact CD2-CZ 4.46Å; L838-A867 HydrophobicContact CD1-CB 3.29Å |
| 839 | T | 50.9 | Low | 50.5 | Low | 69 Ų | 69 | 93.4 Ų | 93.4 | 42% | 0.423 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.3 | -29.7 | 168.9 | 20.8 | 0 | 0 | 0 | 0 | 112.6 | L836 L841 A842 | L836-T839 WeakPolarHBondContact CA-OG1 3.35Å; L836-T839 WeakPolarHBondContact O-CA 3.26Å; L836-T839 WeakPolarHBondContact O-CB 3.25Å; L836-T839 PolarHBondContact O-N 3.11Å; L836-T839 PolarHBondContact O-OG1 3.03Å; T839-L841 PolarHBondContact O-N 2.87Å; T839-A842 VanDerWaalsContact O-CB 3.27Å; T839-A842 WeakPolarHBondContact O-CB 3.23Å; T839-A842 PolarHBondContact O-N 3.41Å |
| 840 | S | 47.7 | Very low | 50.2 | Low | 67 Ų | 67 | 93.5 Ų | 93.5 | 47% | 0.469 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -18.2 | 170.2 | -51.6 | 0 | 0 | 0 | 0 | 113.5 | L836 N837 A842 | L836-S840 PolarHBondContact O-N 2.86Å; L836-S840 PolarHBondContact O-OG 2.87Å; N837-S840 WeakPolarHBondContact O-CB 3.44Å; N837-S840 PolarHBondContact O-N 3.15Å; N837-S840 PolarHBondContact OD1-OG 3.2Å; S840-A842 VanDerWaalsContact C-N 3.28Å |
| 841 | L | 47.9 | Very low | 50.2 | Low | 114 Ų | 114 | 89.4 Ų | 89.4 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.6 | 170.7 | -158.6 | 67.6 | 0 | 0 | 0 | 113 | N837 L838 T839 N843 A867 | N837-L841 PolarHBondContact O-N 2.93Å; L838-L841 WeakPolarHBondContact O-CB 3.42Å; L838-L841 PolarHBondContact O-N 3.18Å; T839-L841 PolarHBondContact O-N 2.87Å; L841-N843 PolarHBondContact O-N 3.36Å; L841-A867 HydrophobicContact CD2-CB 3.43Å; L841-A867 VanDerWaalsContact CD2-CB 3.43Å |
| 842 | A | 50 | Low | 50.5 | Low | 53 Ų | 53 | 90.1 Ų | 90.1 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -77 | 54.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T839 S840 A844 | T839-A842 VanDerWaalsContact O-CB 3.27Å; T839-A842 WeakPolarHBondContact O-CB 3.23Å; T839-A842 PolarHBondContact O-N 3.41Å; S840-A842 VanDerWaalsContact C-N 3.28Å; A842-A844 PolarHBondContact O-N 3.27Å |
| 843 | N | 43 | Very low | 51 | Low | 125 Ų | 125 | 92.4 Ų | 92.4 | 67% | 0.668 | 53% | 0.529 | S | S | * | . | trans | -72.6 | 91.9 | -161.3 | -147.2 | 0.2 | 0 | 0 | 0 | 111.7 | L841 N845 | L841-N843 PolarHBondContact O-N 3.36Å; N843-N845 PolarHBondContact O-N 3.06Å | ||
| 844 | A | 44.6 | Very low | 51.5 | Low | 96 Ų | 96 | 91.9 Ų | 91.9 | 79% | 0.793 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 56.4 | -30.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | A842 | A842-A844 PolarHBondContact O-N 3.27Š|
| 845 | N | 45.9 | Very low | 52 | Low | 132 Ų | 132 | 89.8 Ų | 89.8 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -101.5 | -13.1 | -160.4 | -66.6 | -20.4 | 0 | 0 | 0 | 115 | N843 | N843-N845 PolarHBondContact O-N 3.06Š|
| 846 | H | 46.4 | Very low | 52.5 | Low | 143 Ų | 143 | 88.5 Ų | 88.5 | 66% | 0.662 | 52% | 0.521 | S | S | * | . | trans | -134.7 | 108.2 | 179.7 | -67.3 | -51.7 | 0 | 0 | 0 | 110.9 | T848 | H846-T848 PolarHBondContact O-N 3.45Š| ||
| 847 | P | 50.4 | Low | 53.9 | Low | 118 Ų | 118 | 91.5 Ų | 91.5 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -72.3 | 2.8 | 177.8 | 31.2 | -36.1 | 0 | 0 | 0 | 113 | L1136 | P847-L1136 WeakPolarHBondContact O-CD1 3.2Å; P847-L1136 VanDerWaalsContact O-CD2 3.31Å; P847-L1136 WeakPolarHBondContact O-CD2 3.47Å |
| 848 | T | 54.4 | Low | 55.3 | Low | 78 Ų | 78 | 92.6 Ų | 92.6 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -131.6 | 131.4 | 176.5 | 85.7 | 0 | 0 | 0 | 0 | 109.2 | H846 L1136 | H846-T848 PolarHBondContact O-N 3.45Å; T848-L1136 HydrophobicContact CG2-CD2 3.57Å |
| 849 | L | 52.8 | Low | 56.6 | Low | 101 Ų | 101 | 93.5 Ų | 93.5 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | trans | -69.6 | 123.5 | 169.8 | -80.2 | 160.9 | 0 | 0 | 0 | 108.7 | F851 | L849-F851 HydrophobicContact CB-CE2 4.43Å; L849-F851 HydrophobicContact CD2-CE2 4.16Å; L849-F851 HydrophobicContact CD2-CZ 3.8Å; L849-F851 PolarHBondContact O-N 3.45Å | ||
| 850 | P | 56.1 | Low | 57.4 | Low | 102 Ų | 102 | 91 Ų | 91 | 66% | 0.662 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -73 | 12.4 | -169.1 | 28.4 | -35.2 | 0 | 0 | 0 | 115 | ||
| 851 | F | 61.6 | Low | 58.8 | Low | 46 Ų | 46 | 91.6 Ų | 91.6 | 20% | 0.202 | 54% | 0.537 | C | S | . | . | trans | -136.4 | 113 | 178.5 | 38.8 | -94.6 | 0 | 0 | 0 | 110.9 | L849 L859 A863 | L849-F851 HydrophobicContact CB-CE2 4.43Å; L849-F851 HydrophobicContact CD2-CE2 4.16Å; L849-F851 HydrophobicContact CD2-CZ 3.8Å; L849-F851 PolarHBondContact O-N 3.45Å; F851-L859 HydrophobicContact CB-CB 4.42Å; F851-L859 HydrophobicContact CB-CD2 4.16Å; F851-L859 HydrophobicContact CB-CG 4.14Å; F851-L859 HydrophobicContact CD1-CD2 4.39Å; F851-L859 HydrophobicContact CD1-CG 4.19Å; F851-L859 HydrophobicContact CG-CG 4.39Å; F851-A863 HydrophobicContact CD1-CB 4.26Å; F851-A863 HydrophobicContact CD2-CB 4.43Å; F851-A863 HydrophobicContact CE1-CB 3.56Å; F851-A863 HydrophobicContact CE2-CB 3.75Å; F851-A863 HydrophobicContact CZ-CB 3.27Å | ||
| 852 | S | 57.6 | Low | 60.1 | Low | 40 Ų | 40 | 90 Ų | 90 | 28% | 0.28 | 53% | 0.531 | S | S | . | . | trans | -83.2 | 136.7 | 165.3 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | A854 A855 N856 | S852-A854 PolarHBondContact O-N 2.96Å; S852-A854 PolarHBondContact OG-N 3.37Å; S852-A855 PolarHBondContact O-N 3.39Å; S852-N856 PolarHBondContact O-N 3.46Å | ||
| 853 | K | 60.7 | Low | 61.1 | Low | 171 Ų | 171 | 88.7 Ų | 88.7 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -30 | 170 | -84.9 | -173.3 | 173.6 | 179.1 | 0 | 113.2 | S860 | K853-S860 WeakPolarHBondContact CG-OG 3.37Š|
| 854 | A | 62 | Low | 62.2 | Low | 65 Ų | 65 | 88.4 Ų | 88.4 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S852 R1144 | S852-A854 PolarHBondContact O-N 2.96Å; S852-A854 PolarHBondContact OG-N 3.37Å; A854-R1144 PolarHBondContact O-NH1 2.7Å |
| 855 | A | 62.4 | Low | 63.7 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -52.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S852 | S852-A855 PolarHBondContact O-N 3.39Š|
| 856 | N | 63.1 | Low | 65.1 | Low | 85 Ų | 85 | 85.5 Ų | 85.5 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | trans | -128.5 | 78.4 | 178.2 | -70.7 | -40.2 | 0 | 0 | 0 | 109.7 | S852 I858 L859 S860 | S852-N856 PolarHBondContact O-N 3.46Å; N856-I858 VanDerWaalsContact C-N 3.27Å; N856-I858 PolarHBondContact O-N 3.41Å; N856-L859 HydrophobicContact CB-CB 3.73Å; N856-L859 HydrophobicContact CB-CD2 4.48Å; N856-L859 PolarHBondContact O-N 3.43Å; N856-S860 WeakPolarHBondContact O-CB 3.45Å; N856-S860 PolarHBondContact O-N 3.28Å | ||
| 857 | P | 78.4 | Confident | 66.2 | Low | 76 Ų | 76 | 80.5 Ų | 80.5 | 49% | 0.494 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -35.4 | -178 | 23.9 | -33.5 | 0 | 0 | 0 | 112.3 | T861 | P857-T861 WeakPolarHBondContact O-CB 3.42Å; P857-T861 PolarHBondContact O-N 3.48Å; P857-T861 VanDerWaalsContact O-N 3.08Å; P857-T861 PolarHBondContact O-OG1 2.65Å |
| 858 | I | 77.3 | Confident | 67.3 | Low | 136 Ų | 136 | 78.5 Ų | 78.5 | 70% | 0.697 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.1 | -56.3 | 174.5 | -60.5 | 175.5 | 0 | 0 | 0 | 109.8 | N856 S860 T861 V862 | N856-I858 VanDerWaalsContact C-N 3.27Å; N856-I858 PolarHBondContact O-N 3.41Å; I858-S860 VanDerWaalsContact C-N 3.31Å; I858-S860 PolarHBondContact O-N 3.35Å; I858-T861 PolarHBondContact O-N 3.35Å; I858-V862 HydrophobicContact CG2-CG2 4.05Å; I858-V862 WeakPolarHBondContact O-CB 3.47Å; I858-V862 WeakPolarHBondContact O-CG2 3.23Å; I858-V862 PolarHBondContact O-N 2.96Å |
| 859 | L | 74.6 | Confident | 68.3 | Low | 83 Ų | 83 | 77.9 Ų | 77.9 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | -179.4 | -171.8 | 60.1 | 0 | 0 | 0 | 112.3 | F851 N856 T861 V862 A863 | F851-L859 HydrophobicContact CB-CB 4.42Å; F851-L859 HydrophobicContact CB-CD2 4.16Å; F851-L859 HydrophobicContact CB-CG 4.14Å; F851-L859 HydrophobicContact CD1-CD2 4.39Å; F851-L859 HydrophobicContact CD1-CG 4.19Å; F851-L859 HydrophobicContact CG-CG 4.39Å; N856-L859 HydrophobicContact CB-CB 3.73Å; N856-L859 HydrophobicContact CB-CD2 4.48Å; N856-L859 PolarHBondContact O-N 3.43Å; L859-T861 PolarHBondContact O-N 3.31Å; L859-V862 PolarHBondContact O-N 3.27Å; L859-A863 VanDerWaalsContact O-CB 3.3Å; L859-A863 WeakPolarHBondContact O-CB 3.35Å; L859-A863 PolarHBondContact O-N 2.88Å |
| 860 | S | 69.3 | Low | 69.6 | Low | 17 Ų | 17 | 76.1 Ų | 76.1 | 12% | 0.119 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.7 | -25.9 | 175.8 | -179 | 0 | 0 | 0 | 0 | 113.6 | K853 N856 I858 | K853-S860 WeakPolarHBondContact CG-OG 3.37Å; N856-S860 WeakPolarHBondContact O-CB 3.45Å; N856-S860 PolarHBondContact O-N 3.28Å; I858-S860 VanDerWaalsContact C-N 3.31Å; I858-S860 PolarHBondContact O-N 3.35Å |
| 861 | T | 75.9 | Confident | 70.8 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -87.9 | -42.2 | 176.1 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | P857 I858 L859 A863 F864 L865 | P857-T861 WeakPolarHBondContact O-CB 3.42Å; P857-T861 PolarHBondContact O-N 3.48Å; P857-T861 VanDerWaalsContact O-N 3.08Å; P857-T861 PolarHBondContact O-OG1 2.65Å; I858-T861 PolarHBondContact O-N 3.35Å; L859-T861 PolarHBondContact O-N 3.31Å; T861-A863 PolarHBondContact O-N 3Å; T861-F864 PolarHBondContact O-N 3.42Å; T861-L865 HydrophobicContact CG2-CD1 4.01Å; T861-L865 HydrophobicContact CG2-CG 4.44Å; T861-L865 WeakPolarHBondContact O-CG 3.32Å; T861-L865 PolarHBondContact O-N 3.41Å |
| 862 | V | 76.3 | Confident | 72.1 | Confident | 80 Ų | 80 | 83.1 Ų | 83.1 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.7 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | I858 L859 F864 L865 A866 | I858-V862 HydrophobicContact CG2-CG2 4.05Å; I858-V862 WeakPolarHBondContact O-CB 3.47Å; I858-V862 WeakPolarHBondContact O-CG2 3.23Å; I858-V862 PolarHBondContact O-N 2.96Å; L859-V862 PolarHBondContact O-N 3.27Å; V862-F864 PolarHBondContact O-N 2.96Å; V862-L865 PolarHBondContact O-N 3.18Å; V862-A866 VanDerWaalsContact O-CB 3.24Å; V862-A866 WeakPolarHBondContact O-CB 3.4Å; V862-A866 PolarHBondContact O-N 3.04Å |
| 863 | A | 70.8 | Confident | 73.5 | Confident | 27 Ų | 27 | 85.6 Ų | 85.6 | 22% | 0.223 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | F851 L859 T861 A867 | F851-A863 HydrophobicContact CD1-CB 4.26Å; F851-A863 HydrophobicContact CD2-CB 4.43Å; F851-A863 HydrophobicContact CE1-CB 3.56Å; F851-A863 HydrophobicContact CE2-CB 3.75Å; F851-A863 HydrophobicContact CZ-CB 3.27Å; L859-A863 VanDerWaalsContact O-CB 3.3Å; L859-A863 WeakPolarHBondContact O-CB 3.35Å; L859-A863 PolarHBondContact O-N 2.88Å; T861-A863 PolarHBondContact O-N 3Å; A863-A867 WeakPolarHBondContact O-CB 3.37Å; A863-A867 PolarHBondContact O-N 3.35Å; A863-A867 VanDerWaalsContact O-N 3.14Å |
| 864 | F | 66.3 | Low | 74.5 | Confident | 119 Ų | 119 | 79.7 Ų | 79.7 | 52% | 0.522 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 173.6 | 178.9 | -85.9 | 0 | 0 | 0 | 111.8 | L838 T861 V862 A868 | L838-F864 HydrophobicContact CD2-CD2 3.63Å; L838-F864 HydrophobicContact CD2-CE2 3.46Å; L838-F864 VanDerWaalsContact CD2-CE2 3.46Å; L838-F864 HydrophobicContact CD2-CZ 4.46Å; T861-F864 PolarHBondContact O-N 3.42Å; V862-F864 PolarHBondContact O-N 2.96Å; F864-A868 PolarHBondContact O-N 3.12Å |
| 865 | L | 75.1 | Confident | 75.7 | Confident | 101 Ų | 101 | 80.1 Ų | 80.1 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 179.5 | -69.5 | 172.6 | 0 | 0 | 0 | 112.5 | T861 V862 A867 A868 V869 | T861-L865 HydrophobicContact CG2-CD1 4.01Å; T861-L865 HydrophobicContact CG2-CG 4.44Å; T861-L865 WeakPolarHBondContact O-CG 3.32Å; T861-L865 PolarHBondContact O-N 3.41Å; V862-L865 PolarHBondContact O-N 3.18Å; L865-A867 VanDerWaalsContact C-N 3.31Å; L865-A867 PolarHBondContact O-N 2.94Å; L865-A868 PolarHBondContact O-N 3.04Å; L865-A868 VanDerWaalsContact O-N 3.16Å; L865-V869 WeakPolarHBondContact O-CG2 3.04Å |
| 866 | A | 76.3 | Confident | 77 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V862 A868 V869 | V862-A866 VanDerWaalsContact O-CB 3.24Å; V862-A866 WeakPolarHBondContact O-CB 3.4Å; V862-A866 PolarHBondContact O-N 3.04Å; A866-A868 VanDerWaalsContact C-N 3.27Å; A866-A868 PolarHBondContact O-N 3.43Å; A866-V869 PolarHBondContact O-N 3.49Å |
| 867 | A | 69.5 | Low | 78 | Confident | 38 Ų | 38 | 78.8 Ų | 78.8 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -21.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L838 L841 A863 L865 | L838-A867 HydrophobicContact CD1-CB 3.29Å; L841-A867 HydrophobicContact CD2-CB 3.43Å; L841-A867 VanDerWaalsContact CD2-CB 3.43Å; A863-A867 WeakPolarHBondContact O-CB 3.37Å; A863-A867 PolarHBondContact O-N 3.35Å; A863-A867 VanDerWaalsContact O-N 3.14Å; L865-A867 VanDerWaalsContact C-N 3.31Å; L865-A867 PolarHBondContact O-N 2.94Å |
| 868 | A | 73.3 | Confident | 78.6 | Confident | 76 Ų | 76 | 77.6 Ų | 77.6 | 63% | 0.628 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F864 L865 A866 | F864-A868 PolarHBondContact O-N 3.12Å; L865-A868 PolarHBondContact O-N 3.04Å; L865-A868 VanDerWaalsContact O-N 3.16Å; A866-A868 VanDerWaalsContact C-N 3.27Å; A866-A868 PolarHBondContact O-N 3.43Å |
| 869 | V | 75.6 | Confident | 79.2 | Confident | 65 Ų | 65 | 77 Ų | 77 | 39% | 0.394 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -119.7 | 135.2 | -174.8 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | L865 A866 V873 A874 | L865-V869 WeakPolarHBondContact O-CG2 3.04Å; A866-V869 PolarHBondContact O-N 3.49Å; V869-V873 HydrophobicContact CG1-CB 4.04Å; V869-V873 HydrophobicContact CG1-CG1 4.16Å; V869-A874 HydrophobicContact CG1-CB 4.14Å |
| 870 | D | 79.5 | Confident | 80 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 34% | 0.337 | 47% | 0.471 | S | S | . | . | trans | -59.5 | 127.6 | 172.6 | -175.4 | -52.3 | 0 | 0 | 0 | 110.1 | R872 V873 A874 | D870-R872 PolarHBondContact O-N 3.09Å; D870-R872 WeakPolarHBondContact OD1-CB 3.26Å; D870-R872 WeakPolarHBondContact OD1-CG 3.42Å; D870-R872 IonicContact OD1-CZ 2.68Å; D870-R872 PolarHBondContact OD1-N 3.45Å; D870-R872 IonicContact OD1-NE 3.75Å; D870-R872 PolarHBondContact OD1-NE 3.41Å; D870-R872 IonicContact OD1-NH2 2.65Å; D870-R872 IonicContact OD2-CZ 3.91Å; D870-R872 IonicContact OD2-NE 2.6Å; D870-R872 PolarHBondContact OD2-NE 3.37Å; D870-R872 IonicContact OD2-NH2 2.78Å; D870-R872 PolarHBondContact OD2-NH2 2.6Å; D870-V873 HydrophobicContact CB-CG2 4.11Å; D870-V873 WeakPolarHBondContact O-CA 3.49Å; D870-V873 WeakPolarHBondContact O-CB 3.47Å; D870-V873 PolarHBondContact O-N 2.94Å; D870-A874 PolarHBondContact O-N 2.94Å; D870-A874 VanDerWaalsContact O-N 3.1Å | ||
| 871 | P | 81.6 | Confident | 80.9 | Confident | 107 Ų | 107 | 77.8 Ų | 77.8 | 70% | 0.695 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -52.4 | -28.2 | -178.7 | -30.2 | 36.3 | 0 | 0 | 0 | 114.7 | S875 | P871-S875 VanDerWaalsContact O-CB 3.29Å; P871-S875 WeakPolarHBondContact O-CB 3.46Å; P871-S875 PolarHBondContact O-N 2.98Å |
| 872 | R | 87.5 | Confident | 81.5 | Confident | 189 Ų | 189 | 79.8 Ų | 79.8 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.1 | -37.9 | 176.7 | -58.7 | 172.6 | -70.1 | 176.1 | -1.3 | 111.9 | D870 A876 | D870-R872 PolarHBondContact O-N 3.09Å; D870-R872 WeakPolarHBondContact OD1-CB 3.26Å; D870-R872 WeakPolarHBondContact OD1-CG 3.42Å; D870-R872 IonicContact OD1-CZ 2.68Å; D870-R872 PolarHBondContact OD1-N 3.45Å; D870-R872 IonicContact OD1-NE 3.75Å; D870-R872 PolarHBondContact OD1-NE 3.41Å; D870-R872 IonicContact OD1-NH2 2.65Å; D870-R872 IonicContact OD2-CZ 3.91Å; D870-R872 IonicContact OD2-NE 2.6Å; D870-R872 PolarHBondContact OD2-NE 3.37Å; D870-R872 IonicContact OD2-NH2 2.78Å; D870-R872 PolarHBondContact OD2-NH2 2.6Å; R872-A876 WeakPolarHBondContact O-CB 3.3Å; R872-A876 PolarHBondContact O-N 3.5Å |
| 873 | V | 87.8 | Confident | 82.2 | Confident | 91 Ų | 91 | 80 Ų | 80 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.2 | -42.4 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | V869 D870 S875 A876 A877 | V869-V873 HydrophobicContact CG1-CB 4.04Å; V869-V873 HydrophobicContact CG1-CG1 4.16Å; D870-V873 HydrophobicContact CB-CG2 4.11Å; D870-V873 WeakPolarHBondContact O-CA 3.49Å; D870-V873 WeakPolarHBondContact O-CB 3.47Å; D870-V873 PolarHBondContact O-N 2.94Å; V873-S875 PolarHBondContact O-N 3.42Å; V873-A876 PolarHBondContact O-N 2.92Å; V873-A877 WeakPolarHBondContact O-CB 3.49Å; V873-A877 PolarHBondContact O-N 3.4Å |
| 874 | A | 82.4 | Confident | 83 | Confident | 48 Ų | 48 | 83.2 Ų | 83.2 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V869 D870 A877 A878 | V869-A874 HydrophobicContact CG1-CB 4.14Å; D870-A874 PolarHBondContact O-N 2.94Å; D870-A874 VanDerWaalsContact O-N 3.1Å; A874-A877 PolarHBondContact O-N 2.87Å; A874-A878 WeakPolarHBondContact O-CB 3.48Å; A874-A878 PolarHBondContact O-N 3.44Å |
| 875 | S | 86.6 | Confident | 84 | Confident | 74 Ų | 74 | 84.2 Ų | 84.2 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | P871 V873 A877 A878 Q879 | P871-S875 VanDerWaalsContact O-CB 3.29Å; P871-S875 WeakPolarHBondContact O-CB 3.46Å; P871-S875 PolarHBondContact O-N 2.98Å; V873-S875 PolarHBondContact O-N 3.42Å; S875-A877 PolarHBondContact O-N 3.19Å; S875-A878 PolarHBondContact O-N 2.93Å; S875-Q879 WeakPolarHBondContact O-CB 3.39Å; S875-Q879 PolarHBondContact O-N 3.31Å |
| 876 | A | 89.4 | Confident | 84.6 | Confident | 58 Ų | 58 | 82 Ų | 82 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R872 V873 A880 | R872-A876 WeakPolarHBondContact O-CB 3.3Å; R872-A876 PolarHBondContact O-N 3.5Å; V873-A876 PolarHBondContact O-N 2.92Å; A876-A880 WeakPolarHBondContact O-CB 3.14Å; A876-A880 PolarHBondContact O-N 2.93Å |
| 877 | A | 85.4 | Confident | 85 | Confident | 62 Ų | 62 | 83.5 Ų | 83.5 | 51% | 0.512 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V873 A874 S875 A880 A881 | V873-A877 WeakPolarHBondContact O-CB 3.49Å; V873-A877 PolarHBondContact O-N 3.4Å; A874-A877 PolarHBondContact O-N 2.87Å; S875-A877 PolarHBondContact O-N 3.19Å; A877-A880 PolarHBondContact O-N 2.71Å; A877-A881 WeakPolarHBondContact O-CB 3.37Å; A877-A881 PolarHBondContact O-N 2.94Å |
| 878 | A | 89.2 | Confident | 85.5 | Confident | 52 Ų | 52 | 87.3 Ų | 87.3 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A874 S875 A881 L882 | A874-A878 WeakPolarHBondContact O-CB 3.48Å; A874-A878 PolarHBondContact O-N 3.44Å; S875-A878 PolarHBondContact O-N 2.93Å; A878-A881 PolarHBondContact O-N 2.87Å; A878-L882 WeakPolarHBondContact O-CG 3.29Å; A878-L882 PolarHBondContact O-N 3.25Å |
| 879 | Q | 90.3 | Very high | 85.7 | Confident | 123 Ų | 123 | 91.6 Ų | 91.6 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -44.9 | 177.1 | -172.1 | 178.7 | 9.4 | 0 | 0 | 111.6 | S875 L882 I883 | S875-Q879 WeakPolarHBondContact O-CB 3.39Å; S875-Q879 PolarHBondContact O-N 3.31Å; Q879-L882 PolarHBondContact O-N 3.25Å; Q879-I883 HydrophobicContact CG-CD1 4.07Å; Q879-I883 VanDerWaalsContact O-CG1 3.31Å; Q879-I883 WeakPolarHBondContact O-CG1 3.4Å; Q879-I883 PolarHBondContact O-N 3.18Å; Q879-I883 VanDerWaalsContact O-N 3.07Å |
| 880 | A | 91.3 | Very high | 85.7 | Confident | 55 Ų | 55 | 95.3 Ų | 95.3 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A876 A877 L882 I883 E884 | A876-A880 WeakPolarHBondContact O-CB 3.14Å; A876-A880 PolarHBondContact O-N 2.93Å; A877-A880 PolarHBondContact O-N 2.71Å; A880-L882 PolarHBondContact O-N 3.29Å; A880-I883 PolarHBondContact O-N 2.94Å; A880-E884 PolarHBondContact O-N 2.69Å; A880-E884 VanDerWaalsContact O-N 3.12Å |
| 881 | A | 89 | Confident | 85.4 | Confident | 62 Ų | 62 | 98.6 Ų | 98.6 | 51% | 0.512 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | A877 A878 Y885 | A877-A881 WeakPolarHBondContact O-CB 3.37Å; A877-A881 PolarHBondContact O-N 2.94Å; A878-A881 PolarHBondContact O-N 2.87Å; A881-Y885 WeakPolarHBondContact O-CB 3.26Å; A881-Y885 PolarHBondContact O-N 3.4Å |
| 882 | L | 89.2 | Confident | 84.6 | Confident | 119 Ų | 119 | 97 Ų | 97 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -34.6 | 176.2 | -72.7 | 169.5 | 0 | 0 | 0 | 112.6 | A878 Q879 A880 Y885 A886 | A878-L882 WeakPolarHBondContact O-CG 3.29Å; A878-L882 PolarHBondContact O-N 3.25Å; Q879-L882 PolarHBondContact O-N 3.25Å; A880-L882 PolarHBondContact O-N 3.29Å; L882-Y885 PolarHBondContact O-N 3Å; L882-A886 PolarHBondContact O-N 2.85Å |
| 883 | I | 89.5 | Confident | 84.1 | Confident | 86 Ų | 86 | 92.3 Ų | 92.3 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 176.2 | -71.6 | 165.4 | 0 | 0 | 0 | 111.2 | Q879 A880 A886 K887 | Q879-I883 HydrophobicContact CG-CD1 4.07Å; Q879-I883 VanDerWaalsContact O-CG1 3.31Å; Q879-I883 WeakPolarHBondContact O-CG1 3.4Å; Q879-I883 PolarHBondContact O-N 3.18Å; Q879-I883 VanDerWaalsContact O-N 3.07Å; A880-I883 PolarHBondContact O-N 2.94Å; I883-A886 PolarHBondContact O-N 2.91Å; I883-K887 PolarHBondContact O-N 3.29Å |
| 884 | E | 88.8 | Confident | 83.5 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 175.3 | -60.5 | -50.5 | 136.4 | 0 | 0 | 112 | A880 A886 K887 M888 | A880-E884 PolarHBondContact O-N 2.69Å; A880-E884 VanDerWaalsContact O-N 3.12Å; E884-A886 VanDerWaalsContact C-N 3.3Å; E884-A886 PolarHBondContact O-N 2.91Å; E884-K887 PolarHBondContact O-N 3.42Å; E884-K887 IonicContact OE1-NZ 2.73Å; E884-K887 PolarHBondContact OE1-NZ 3.37Å; E884-K887 WeakPolarHBondContact OE2-CD 3.3Å; E884-K887 WeakPolarHBondContact OE2-CE 3.49Å; E884-K887 IonicContact OE2-NZ 3.91Å; E884-K887 PolarHBondContact OE2-NZ 3.48Å; E884-M888 HydrophobicContact CB-CE 4.44Å; E884-M888 PolarHBondContact O-N 2.97Å; E884-M888 VanDerWaalsContact O-N 3.13Å |
| 885 | Y | 86.5 | Confident | 83.2 | Confident | 140 Ų | 140 | 92.2 Ų | 92.2 | 55% | 0.549 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -34 | 174.7 | -178 | -112.3 | 0 | 0 | 0 | 112.9 | A881 L882 R889 | A881-Y885 WeakPolarHBondContact O-CB 3.26Å; A881-Y885 PolarHBondContact O-N 3.4Å; L882-Y885 PolarHBondContact O-N 3Å; Y885-R889 HydrophobicContact CE1-CG 4.46Å; Y885-R889 HydrophobicContact CE2-CG 4.35Å; Y885-R889 WeakPolarHBondContact O-CG 3.46Å; Y885-R889 PolarHBondContact O-N 3.03Å |
| 886 | A | 86.7 | Confident | 82.3 | Confident | 54 Ų | 54 | 92.1 Ų | 92.1 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -49.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L882 I883 E884 M888 R889 | L882-A886 PolarHBondContact O-N 2.85Å; I883-A886 PolarHBondContact O-N 2.91Å; E884-A886 VanDerWaalsContact C-N 3.3Å; E884-A886 PolarHBondContact O-N 2.91Å; A886-M888 PolarHBondContact O-N 2.95Å; A886-R889 PolarHBondContact O-N 2.98Å |
| 887 | K | 85.7 | Confident | 81.4 | Confident | 98 Ų | 98 | 94 Ų | 94 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 178.6 | -58.8 | 175.7 | -158.7 | 165.8 | 0 | 112.1 | I883 E884 R889 D890 E891 | I883-K887 PolarHBondContact O-N 3.29Å; E884-K887 PolarHBondContact O-N 3.42Å; E884-K887 IonicContact OE1-NZ 2.73Å; E884-K887 PolarHBondContact OE1-NZ 3.37Å; E884-K887 WeakPolarHBondContact OE2-CD 3.3Å; E884-K887 WeakPolarHBondContact OE2-CE 3.49Å; E884-K887 IonicContact OE2-NZ 3.91Å; E884-K887 PolarHBondContact OE2-NZ 3.48Å; K887-R889 PolarHBondContact O-N 3.45Å; K887-D890 PolarHBondContact O-N 3.41Å; K887-E891 PolarHBondContact O-N 3.26Å |
| 888 | M | 79.2 | Confident | 81 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -14.9 | -177.4 | -72.7 | -173.9 | -72.9 | 0 | 0 | 114.1 | E884 A886 | E884-M888 HydrophobicContact CB-CE 4.44Å; E884-M888 PolarHBondContact O-N 2.97Å; E884-M888 VanDerWaalsContact O-N 3.13Å; A886-M888 PolarHBondContact O-N 2.95Å |
| 889 | R | 78.3 | Confident | 80.1 | Confident | 166 Ų | 166 | 102 Ų | 102 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -85.5 | -19.3 | 174.7 | -69.2 | -171 | 73.2 | -135.1 | -7.3 | 114.2 | Y885 A886 K887 | Y885-R889 HydrophobicContact CE1-CG 4.46Å; Y885-R889 HydrophobicContact CE2-CG 4.35Å; Y885-R889 WeakPolarHBondContact O-CG 3.46Å; Y885-R889 PolarHBondContact O-N 3.03Å; A886-R889 PolarHBondContact O-N 2.98Å; K887-R889 PolarHBondContact O-N 3.45Å |
| 890 | D | 75.1 | Confident | 79.1 | Confident | 143 Ų | 143 | 99.3 Ų | 99.3 | 77% | 0.765 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -96.1 | -9.2 | 177.5 | -61.3 | -27.3 | 0 | 0 | 0 | 111.9 | K887 | K887-D890 PolarHBondContact O-N 3.41Å |
| 891 | E | 73.3 | Confident | 78.3 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -79.2 | 128.9 | 176.1 | -73.2 | -177.4 | -154.2 | 0 | 0 | 112.5 | K887 | K887-E891 PolarHBondContact O-N 3.26Š|
| 892 | V | 66.2 | Low | 77.7 | Confident | 75 Ų | 75 | 101.5 Ų | 101.5 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 128.5 | 178 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | A894 L896 L897 | V892-A894 PolarHBondContact O-N 3.15Å; V892-L896 HydrophobicContact CG1-CB 4.46Å; V892-L896 HydrophobicContact CG1-CD2 4.18Å; V892-L897 HydrophobicContact CB-CD1 3.61Å; V892-L897 HydrophobicContact CG1-CD1 3.46Å; V892-L897 VanDerWaalsContact CG1-CD1 3.46Å |
| 893 | P | 76.8 | Confident | 76.7 | Confident | 90 Ų | 90 | 100 Ų | 100 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 127.6 | -174.5 | -31.3 | 35.9 | 0 | 0 | 0 | 114.1 | G895 L896 L897 | P893-G895 PolarHBondContact O-N 3.37Å; P893-L896 WeakPolarHBondContact O-CA 3.21Å; P893-L896 VanDerWaalsContact O-CB 3.27Å; P893-L896 WeakPolarHBondContact O-CB 3.43Å; P893-L896 PolarHBondContact O-N 3.3Å; P893-L897 PolarHBondContact O-N 3.1Å |
| 894 | A | 73.7 | Confident | 75.7 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 67% | 0.669 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.8 | -28.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V892 R898 | V892-A894 PolarHBondContact O-N 3.15Å; A894-R898 WeakPolarHBondContact O-CB 3.48Å; A894-R898 PolarHBondContact O-N 3.21Å |
| 895 | G | 75.8 | Confident | 75.1 | Confident | 55 Ų | 55 | 97.3 Ų | 97.3 | 57% | 0.567 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P893 R898 E899 | P893-G895 PolarHBondContact O-N 3.37Å; G895-R898 PolarHBondContact O-N 3.09Å; G895-E899 PolarHBondContact O-N 3.24Å |
| 896 | L | 68.5 | Low | 74.5 | Confident | 73 Ų | 73 | 94.4 Ų | 94.4 | 38% | 0.382 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 178 | -147.8 | 80.3 | 0 | 0 | 0 | 110.9 | V892 P893 R898 E899 H900 L921 | V892-L896 HydrophobicContact CG1-CB 4.46Å; V892-L896 HydrophobicContact CG1-CD2 4.18Å; P893-L896 WeakPolarHBondContact O-CA 3.21Å; P893-L896 VanDerWaalsContact O-CB 3.27Å; P893-L896 WeakPolarHBondContact O-CB 3.43Å; P893-L896 PolarHBondContact O-N 3.3Å; L896-R898 VanDerWaalsContact C-N 3.29Å; L896-R898 PolarHBondContact O-N 2.96Å; L896-E899 PolarHBondContact O-N 3.13Å; L896-H900 WeakPolarHBondContact O-CB 3.39Å; L896-H900 PolarHBondContact O-N 3.02Å; L896-L921 HydrophobicContact CD2-CD1 4.13Å; L896-L921 HydrophobicContact CD2-CD2 3.87Å; L896-L921 HydrophobicContact CD2-CG 4.46Å; L896-L921 HydrophobicContact CG-CD2 3.91Å |
| 897 | L | 69.9 | Low | 73.6 | Confident | 97 Ų | 97 | 92.2 Ų | 92.2 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.1 | -42 | 171.6 | -113.9 | 71 | 0 | 0 | 0 | 112.2 | V892 P893 K901 | V892-L897 HydrophobicContact CB-CD1 3.61Å; V892-L897 HydrophobicContact CG1-CD1 3.46Å; V892-L897 VanDerWaalsContact CG1-CD1 3.46Å; P893-L897 PolarHBondContact O-N 3.1Å; L897-K901 VanDerWaalsContact O-CB 3.23Å; L897-K901 WeakPolarHBondContact O-CB 3.29Å; L897-K901 PolarHBondContact O-N 2.91Å |
| 898 | R | 77.1 | Confident | 72.9 | Confident | 201 Ų | 201 | 92 Ų | 92 | 76% | 0.758 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.9 | -43.4 | -179.3 | -173.6 | 178.4 | -177.7 | -179.7 | 0.9 | 112.3 | A894 G895 L896 A902 | A894-R898 WeakPolarHBondContact O-CB 3.48Å; A894-R898 PolarHBondContact O-N 3.21Å; G895-R898 PolarHBondContact O-N 3.09Å; L896-R898 VanDerWaalsContact C-N 3.29Å; L896-R898 PolarHBondContact O-N 2.96Å; R898-A902 WeakPolarHBondContact O-CB 3.41Å; R898-A902 PolarHBondContact O-N 3.4Å |
| 899 | E | 71.9 | Confident | 72.8 | Confident | 82 Ų | 82 | 93 Ų | 93 | 38% | 0.383 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 178.1 | 177.6 | 59.2 | -165.6 | 0 | 0 | 111.6 | G895 L896 K901 A902 R903 V924 | G895-E899 PolarHBondContact O-N 3.24Å; L896-E899 PolarHBondContact O-N 3.13Å; E899-K901 VanDerWaalsContact C-N 3.35Å; E899-K901 PolarHBondContact O-N 3.47Å; E899-A902 PolarHBondContact O-N 3.44Å; E899-R903 WeakPolarHBondContact O-CG 3.38Å; E899-R903 PolarHBondContact O-N 2.72Å; E899-R903 IonicContact OE1-CZ 3.37Å; E899-R903 IonicContact OE1-NE 3.62Å; E899-R903 PolarHBondContact OE1-NE 3.13Å; E899-R903 IonicContact OE1-NH2 2.82Å; E899-R903 PolarHBondContact OE1-NH2 2.79Å; E899-V924 HydrophobicContact CB-CG1 4.26Å; E899-V924 HydrophobicContact CG-CG1 3.47Å; E899-V924 VanDerWaalsContact CG-CG1 3.47Å |
| 900 | H | 67.4 | Low | 72.4 | Confident | 66 Ų | 66 | 91.1 Ų | 91.1 | 31% | 0.306 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 172 | 172.4 | -106.6 | 0 | 0 | 0 | 111.6 | L896 A902 R903 V904 F919 L921 | L896-H900 WeakPolarHBondContact O-CB 3.39Å; L896-H900 PolarHBondContact O-N 3.02Å; H900-A902 PolarHBondContact O-N 3.03Å; H900-R903 PolarHBondContact O-N 3.19Å; H900-V904 WeakPolarHBondContact O-CG2 3.3Å; H900-V904 PolarHBondContact O-N 2.89Å; H900-F919 PolarHBondContact CD2-O 3.14Å; H900-F919 PolarHBondContact NE2-O 2.85Å; H900-L921 HydrophobicContact CB-CD2 3.67Å |
| 901 | K | 75 | Confident | 71.9 | Confident | 129 Ų | 129 | 87.6 Ų | 87.6 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | 174.9 | 178.6 | 170.8 | 174.9 | 172.4 | 0 | 111.9 | L897 E899 R903 V904 E905 | L897-K901 VanDerWaalsContact O-CB 3.23Å; L897-K901 WeakPolarHBondContact O-CB 3.29Å; L897-K901 PolarHBondContact O-N 2.91Å; E899-K901 VanDerWaalsContact C-N 3.35Å; E899-K901 PolarHBondContact O-N 3.47Å; K901-R903 VanDerWaalsContact C-N 3.34Å; K901-R903 PolarHBondContact O-N 2.87Å; K901-V904 PolarHBondContact O-N 3.28Å; K901-E905 WeakPolarHBondContact CE-OE1 3.34Å; K901-E905 HydrophobicContact CG-CG 4.43Å; K901-E905 WeakPolarHBondContact O-CB 3.42Å; K901-E905 WeakPolarHBondContact O-CG 3.18Å; K901-E905 PolarHBondContact O-N 2.96Å |
| 902 | A | 76.3 | Confident | 71.4 | Confident | 34 Ų | 34 | 86.8 Ų | 86.8 | 28% | 0.281 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R898 E899 H900 N906 | R898-A902 WeakPolarHBondContact O-CB 3.41Å; R898-A902 PolarHBondContact O-N 3.4Å; E899-A902 PolarHBondContact O-N 3.44Å; H900-A902 PolarHBondContact O-N 3.03Å; A902-N906 WeakPolarHBondContact O-CB 3.48Å; A902-N906 PolarHBondContact O-N 3.04Å; A902-N906 PolarHBondContact O-ND2 3.48Å |
| 903 | R | 68.9 | Low | 71 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 33% | 0.328 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 175.3 | -72.8 | -179.3 | -179.5 | -149.9 | 10.7 | 112.5 | E899 H900 K901 N906 A907 E923 V924 | E899-R903 WeakPolarHBondContact O-CG 3.38Å; E899-R903 PolarHBondContact O-N 2.72Å; E899-R903 IonicContact OE1-CZ 3.37Å; E899-R903 IonicContact OE1-NE 3.62Å; E899-R903 PolarHBondContact OE1-NE 3.13Å; E899-R903 IonicContact OE1-NH2 2.82Å; E899-R903 PolarHBondContact OE1-NH2 2.79Å; H900-R903 PolarHBondContact O-N 3.19Å; K901-R903 VanDerWaalsContact C-N 3.34Å; K901-R903 PolarHBondContact O-N 2.87Å; R903-N906 PolarHBondContact O-N 3.32Å; R903-A907 WeakPolarHBondContact O-CB 3.2Å; R903-A907 PolarHBondContact O-N 3.04Å; R903-E923 PolarHBondContact NH1-O 2.85Å; R903-V924 PolarHBondContact NH2-O 3.49Å |
| 904 | V | 67.6 | Low | 70.1 | Confident | 41 Ų | 41 | 90.1 Ų | 90.1 | 25% | 0.248 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | H900 K901 N906 A907 V908 | H900-V904 WeakPolarHBondContact O-CG2 3.3Å; H900-V904 PolarHBondContact O-N 2.89Å; K901-V904 PolarHBondContact O-N 3.28Å; V904-N906 VanDerWaalsContact C-N 3.26Å; V904-N906 PolarHBondContact O-N 3.22Å; V904-A907 PolarHBondContact O-N 2.82Å; V904-V908 VanDerWaalsContact O-CG2 3.32Å; V904-V908 WeakPolarHBondContact O-CG2 3.37Å; V904-V908 PolarHBondContact O-N 3.38Å |
| 905 | E | 76.9 | Confident | 69.5 | Low | 83 Ų | 83 | 90 Ų | 90 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.3 | -35.4 | 175.2 | -77.4 | -177 | -158.5 | 0 | 0 | 112.8 | K901 K909 | K901-E905 WeakPolarHBondContact CE-OE1 3.34Å; K901-E905 HydrophobicContact CG-CG 4.43Å; K901-E905 WeakPolarHBondContact O-CB 3.42Å; K901-E905 WeakPolarHBondContact O-CG 3.18Å; K901-E905 PolarHBondContact O-N 2.96Å; E905-K909 VanDerWaalsContact O-CD 3.27Å; E905-K909 WeakPolarHBondContact O-CD 3.25Å; E905-K909 WeakPolarHBondContact O-CE 3.49Å; E905-K909 WeakPolarHBondContact O-CG 3.35Å; E905-K909 PolarHBondContact O-N 3.12Å; E905-K909 VanDerWaalsContact O-N 3.15Å; E905-K909 IonicContact OE2-NZ 2.94Å |
| 906 | N | 74.5 | Confident | 68.7 | Low | 79 Ų | 79 | 93 Ų | 93 | 42% | 0.422 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -77.5 | -33.1 | 177.7 | -69.2 | -17.1 | 0 | 0 | 0 | 112.6 | A902 R903 V904 K909 L910 | A902-N906 WeakPolarHBondContact O-CB 3.48Å; A902-N906 PolarHBondContact O-N 3.04Å; A902-N906 PolarHBondContact O-ND2 3.48Å; R903-N906 PolarHBondContact O-N 3.32Å; V904-N906 VanDerWaalsContact C-N 3.26Å; V904-N906 PolarHBondContact O-N 3.22Å; N906-K909 PolarHBondContact O-N 2.94Å; N906-K909 PolarHBondContact OD1-NZ 2.9Å; N906-L910 WeakPolarHBondContact O-CB 3.45Å; N906-L910 PolarHBondContact O-N 3.01Å |
| 907 | A | 67.9 | Low | 68.3 | Low | 7 Ų | 7 | 98.9 Ų | 98.9 | 6% | 0.058 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R903 V904 K909 L910 G911 H912 I914 F919 | R903-A907 WeakPolarHBondContact O-CB 3.2Å; R903-A907 PolarHBondContact O-N 3.04Å; V904-A907 PolarHBondContact O-N 2.82Å; A907-K909 PolarHBondContact O-N 3.26Å; A907-L910 PolarHBondContact O-N 3.37Å; A907-G911 PolarHBondContact O-N 3.2Å; A907-H912 PolarHBondContact O-N 2.62Å; A907-I914 HydrophobicContact CB-CD1 4.48Å; A907-I914 HydrophobicContact CB-CG1 4.36Å; A907-F919 HydrophobicContact CB-CD1 4.12Å; A907-F919 HydrophobicContact CB-CE1 3.44Å; A907-F919 VanDerWaalsContact CB-CE1 3.44Å; A907-F919 HydrophobicContact CB-CE2 4.24Å; A907-F919 HydrophobicContact CB-CZ 3.5Å |
| 908 | V | 70.2 | Confident | 67.7 | Low | 93 Ų | 93 | 100 Ų | 100 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -54.4 | -49.8 | 171.1 | 172 | 0 | 0 | 0 | 0 | 110.7 | V904 L910 G911 I914 | V904-V908 VanDerWaalsContact O-CG2 3.32Å; V904-V908 WeakPolarHBondContact O-CG2 3.37Å; V904-V908 PolarHBondContact O-N 3.38Å; V908-L910 VanDerWaalsContact C-N 3.26Å; V908-L910 PolarHBondContact O-N 3.33Å; V908-G911 PolarHBondContact O-N 2.98Å; V908-I914 HydrophobicContact CB-CD1 4.46Å; V908-I914 HydrophobicContact CG2-CD1 3.42Å; V908-I914 VanDerWaalsContact CG2-CD1 3.42Å |
| 909 | K | 76.9 | Confident | 66.8 | Low | 139 Ų | 139 | 92.8 Ų | 92.8 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.3 | -29.1 | 179.9 | -69 | 160.1 | -153.2 | 158.3 | 0 | 113.2 | E905 N906 A907 | E905-K909 VanDerWaalsContact O-CD 3.27Å; E905-K909 WeakPolarHBondContact O-CD 3.25Å; E905-K909 WeakPolarHBondContact O-CE 3.49Å; E905-K909 WeakPolarHBondContact O-CG 3.35Å; E905-K909 PolarHBondContact O-N 3.12Å; E905-K909 VanDerWaalsContact O-N 3.15Å; E905-K909 IonicContact OE2-NZ 2.94Å; N906-K909 PolarHBondContact O-N 2.94Å; N906-K909 PolarHBondContact OD1-NZ 2.9Å; A907-K909 PolarHBondContact O-N 3.26Å |
| 910 | L | 70.6 | Confident | 66 | Low | 126 Ų | 126 | 89.8 Ų | 89.8 | 66% | 0.66 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2 | 179.5 | -79.1 | 162.3 | 0 | 0 | 0 | 114 | N906 A907 V908 H912 | N906-L910 WeakPolarHBondContact O-CB 3.45Å; N906-L910 PolarHBondContact O-N 3.01Å; A907-L910 PolarHBondContact O-N 3.37Å; V908-L910 VanDerWaalsContact C-N 3.26Å; V908-L910 PolarHBondContact O-N 3.33Å; L910-H912 PolarHBondContact O-N 2.98Å; L910-H912 PolarHBondContact O-ND1 3.02Å; L910-H912 VanDerWaalsContact O-ND1 3.15Å |
| 911 | G | 64.2 | Low | 65.5 | Low | 69 Ų | 69 | 89.9 Ų | 89.9 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 17.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | A907 V908 | A907-G911 PolarHBondContact O-N 3.2Å; V908-G911 PolarHBondContact O-N 2.98Å |
| 912 | H | 62.2 | Low | 64.6 | Low | 116 Ų | 116 | 91 Ų | 91 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | trans | -79.2 | 144.9 | 176.2 | -75 | 77.2 | 0 | 0 | 0 | 110.6 | A907 L910 I914 | A907-H912 PolarHBondContact O-N 2.62Å; L910-H912 PolarHBondContact O-N 2.98Å; L910-H912 PolarHBondContact O-ND1 3.02Å; L910-H912 VanDerWaalsContact O-ND1 3.15Å; H912-I914 PolarHBondContact O-N 2.7Å | ||
| 913 | Q | 59 | Low | 63.5 | Low | 165 Ų | 165 | 96 Ų | 96 | 77% | 0.771 | 50% | 0.501 | S | S | * | . | trans | -67.3 | 125.2 | 174.6 | -168 | 151.7 | 70.7 | 0 | 0 | 109.3 | D915 | Q913-D915 PolarHBondContact O-N 2.77Š| ||
| 914 | I | 58.7 | Low | 62.7 | Low | 69 Ų | 69 | 92.9 Ų | 92.9 | 35% | 0.354 | 49% | 0.491 | S | S | . | . | trans | -92.4 | 79.5 | -171.4 | -52.4 | 177.6 | 0 | 0 | 0 | 108.8 | A907 V908 H912 P916 F919 | A907-I914 HydrophobicContact CB-CD1 4.48Å; A907-I914 HydrophobicContact CB-CG1 4.36Å; V908-I914 HydrophobicContact CB-CD1 4.46Å; V908-I914 HydrophobicContact CG2-CD1 3.42Å; V908-I914 VanDerWaalsContact CG2-CD1 3.42Å; H912-I914 PolarHBondContact O-N 2.7Å; I914-P916 WeakPolarHBondContact O-CD 3.41Å; I914-F919 HydrophobicContact CB-CD2 4.28Å; I914-F919 HydrophobicContact CB-CE2 4.48Å; I914-F919 HydrophobicContact CG2-CB 4.37Å; I914-F919 HydrophobicContact CG2-CD2 3.71Å; I914-F919 HydrophobicContact CG2-CE2 4.34Å; I914-F919 HydrophobicContact CG2-CG 4.17Å | ||
| 915 | D | 60 | Low | 61.2 | Low | 79 Ų | 79 | 94.8 Ų | 94.8 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | trans | -71.7 | 126.7 | 172.2 | -69.3 | -47.6 | 0 | 0 | 0 | 110 | Q913 Q917 K918 F919 | Q913-D915 PolarHBondContact O-N 2.77Å; D915-Q917 PolarHBondContact O-N 2.95Å; D915-Q917 VanDerWaalsContact O-N 3.1Å; D915-K918 HydrophobicContact CB-CB 4.12Å; D915-K918 PolarHBondContact O-N 2.71Å; D915-F919 PolarHBondContact O-N 2.87Å; D915-F919 VanDerWaalsContact O-N 3.15Å | ||
| 916 | P | 59.5 | Low | 58.9 | Low | 119 Ų | 119 | 93.9 Ų | 93.9 | 77% | 0.773 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -24.7 | 176.8 | -26.9 | 35.8 | 0 | 0 | 0 | 113.9 | I914 K918 | I914-P916 WeakPolarHBondContact O-CD 3.41Å; P916-K918 VanDerWaalsContact C-N 3.32Å |
| 917 | Q | 59.2 | Low | 56.8 | Low | 196 Ų | 196 | 97.7 Ų | 97.7 | 92% | 0.916 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -11.9 | 175.8 | -67.5 | -179.8 | -27.2 | 0 | 0 | 114 | D915 | D915-Q917 PolarHBondContact O-N 2.95Å; D915-Q917 VanDerWaalsContact O-N 3.1Å |
| 918 | K | 57 | Low | 55.1 | Low | 119 Ų | 119 | 105.3 Ų | 105.3 | 52% | 0.517 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.1 | -20.8 | -176.5 | -165 | 179.1 | 179.4 | -174.9 | 0 | 113.6 | D915 P916 | D915-K918 HydrophobicContact CB-CB 4.12Å; D915-K918 PolarHBondContact O-N 2.71Å; P916-K918 VanDerWaalsContact C-N 3.32Å |
| 919 | F | 58.4 | Low | 53.1 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 22% | 0.219 | 61% | 0.606 | C | S | . | * | S | Bend | trans | -106 | 21.9 | 173.8 | -68.3 | -79.1 | 0 | 0 | 0 | 112.8 | H900 A907 I914 D915 | H900-F919 PolarHBondContact CD2-O 3.14Å; H900-F919 PolarHBondContact NE2-O 2.85Å; A907-F919 HydrophobicContact CB-CD1 4.12Å; A907-F919 HydrophobicContact CB-CE1 3.44Å; A907-F919 VanDerWaalsContact CB-CE1 3.44Å; A907-F919 HydrophobicContact CB-CE2 4.24Å; A907-F919 HydrophobicContact CB-CZ 3.5Å; I914-F919 HydrophobicContact CB-CD2 4.28Å; I914-F919 HydrophobicContact CB-CE2 4.48Å; I914-F919 HydrophobicContact CG2-CB 4.37Å; I914-F919 HydrophobicContact CG2-CD2 3.71Å; I914-F919 HydrophobicContact CG2-CE2 4.34Å; I914-F919 HydrophobicContact CG2-CG 4.17Å; D915-F919 PolarHBondContact O-N 2.87Å; D915-F919 VanDerWaalsContact O-N 3.15Å |
| 920 | G | 55.6 | Low | 50.9 | Low | 19 Ų | 19 | 109 Ų | 109 | 20% | 0.196 | 61% | 0.614 | C | S | . | * | S | Bend | trans | -58.6 | 162 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D922 | G920-D922 PolarHBondContact O-N 3.19Å; G920-D922 VanDerWaalsContact O-N 3.16Å |
| 921 | L | 57.5 | Low | 49 | Very low | 68 Ų | 68 | 109.8 Ų | 109.8 | 36% | 0.356 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -66.3 | -13.2 | 178 | -75.6 | 168.1 | 0 | 0 | 0 | 112.9 | L896 H900 E923 V924 | L896-L921 HydrophobicContact CD2-CD1 4.13Å; L896-L921 HydrophobicContact CD2-CD2 3.87Å; L896-L921 HydrophobicContact CD2-CG 4.46Å; L896-L921 HydrophobicContact CG-CD2 3.91Å; H900-L921 HydrophobicContact CB-CD2 3.67Å; L921-E923 PolarHBondContact O-N 3.38Å; L921-V924 VanDerWaalsContact O-CB 3.24Å; L921-V924 WeakPolarHBondContact O-CB 3.32Å; L921-V924 WeakPolarHBondContact O-CG2 3.38Å; L921-V924 PolarHBondContact O-N 3.36Å |
| 922 | D | 55.5 | Low | 47.2 | Very low | 152 Ų | 152 | 114.3 Ų | 114.3 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -70.2 | -33.2 | -171.1 | -38.9 | -73.1 | 0 | 0 | 0 | 112.5 | G920 V924 | G920-D922 PolarHBondContact O-N 3.19Å; G920-D922 VanDerWaalsContact O-N 3.16Å; D922-V924 VanDerWaalsContact C-N 3.25Å; D922-V924 PolarHBondContact O-N 3.06Å |
| 923 | E | 54.2 | Low | 45.6 | Very low | 141 Ų | 141 | 113.3 Ų | 113.3 | 66% | 0.659 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -83.5 | 7.8 | 175.3 | -63.7 | -163.3 | 170.8 | 0 | 0 | 113.4 | R903 L921 | R903-E923 PolarHBondContact NH1-O 2.85Å; L921-E923 PolarHBondContact O-N 3.38Å |
| 924 | V | 50.5 | Low | 44.2 | Very low | 20 Ų | 20 | 114.8 Ų | 114.8 | 12% | 0.121 | 63% | 0.633 | C | S | . | * | S | Bend | trans | -89.6 | -29.8 | -169.9 | -174.6 | 0 | 0 | 0 | 0 | 114.1 | E899 R903 L921 D922 | E899-V924 HydrophobicContact CB-CG1 4.26Å; E899-V924 HydrophobicContact CG-CG1 3.47Å; E899-V924 VanDerWaalsContact CG-CG1 3.47Å; R903-V924 PolarHBondContact NH2-O 3.49Å; L921-V924 VanDerWaalsContact O-CB 3.24Å; L921-V924 WeakPolarHBondContact O-CB 3.32Å; L921-V924 WeakPolarHBondContact O-CG2 3.38Å; L921-V924 PolarHBondContact O-N 3.36Å; D922-V924 VanDerWaalsContact C-N 3.25Å; D922-V924 PolarHBondContact O-N 3.06Å |
| 925 | G | 35.9 | Very low | 42.7 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 84% | 0.835 | 65% | 0.651 | S | S | * | * | trans | -103 | 89.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 926 | G | 29.2 | Very low | 41.2 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | trans | -144.3 | 121.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 927 | N | 30 | Very low | 39.6 | Very low | 159 Ų | 159 | 124 Ų | 124 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 61.6 | 80 | 168.7 | -54.6 | -27.7 | 0 | 0 | 0 | 117.5 | ||
| 928 | N | 32.4 | Very low | 38.2 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 90% | 0.898 | 67% | 0.668 | S | S | * | * | -164.3 | 157 | 123.4 | -106 | -36.7 | 0 | 0 | 0 | 113.8 | |||||
| 929 | Q | 29.7 | Very low | 36.8 | Very low | 181 Ų | 181 | 123.4 Ų | 123.4 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | trans | -73 | 141.5 | 175.8 | -58 | 162.4 | -0.5 | 0 | 0 | 110.8 | ||||
| 930 | V | 29 | Very low | 35.5 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | trans | 176.4 | 126.4 | 142.8 | 141.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 931 | I | 30.4 | Very low | 34.3 | Very low | 142 Ų | 142 | 130 Ų | 130 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | trans | 54.1 | 104.1 | 165.2 | -60.2 | 164.3 | 0 | 0 | 0 | 116.5 | S933 | I931-S933 PolarHBondContact O-N 3.36Š| ||
| 932 | E | 26.9 | Very low | 32.9 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -70.5 | 118.4 | 158.9 | -72.3 | -174.4 | 121.8 | 0 | 0 | 110.2 | ||||
| 933 | S | 28.6 | Very low | 31.7 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -150.3 | 152.7 | 163.8 | -72.2 | 0 | 0 | 0 | 0 | 107 | I931 | I931-S933 PolarHBondContact O-N 3.36Š| ||
| 934 | E | 29.4 | Very low | 30.4 | Very low | 195 Ų | 195 | 131.2 Ų | 131.2 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 70.1 | 47.1 | -176.1 | -50.5 | -169.4 | 159.6 | 0 | 0 | 117 | ||
| 935 | K | 28.3 | Very low | 29.5 | Very low | 170 Ų | 170 | 138 Ų | 138 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -134.3 | 70.5 | 154.4 | -80.8 | -158.8 | 172.7 | -173.5 | 0 | 113.9 | ||||
| 936 | L | 28.4 | Very low | 29.1 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -150.7 | 50.9 | 161.8 | -160.3 | 68.5 | 0 | 0 | 0 | 113.4 | ||||
| 937 | C | 25 | Very low | 29.2 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -159 | 121.2 | 160.7 | -113.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 938 | K | 29.1 | Very low | 29.2 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | 79.6 | 128.8 | 161.6 | -55.9 | -177.1 | 178.1 | -176.9 | 0 | 118.5 | ||||
| 939 | S | 28.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 73.1 | 153.3 | 177.2 | 77.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 940 | S | 30.7 | Very low | 29.4 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -168.4 | 153.3 | -40.8 | -162.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 941 | S | 29.8 | Very low | 29.4 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 69.5 | 154.9 | 150.3 | -59.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 942 | V | 29.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | cis | -163.8 | 145.9 | -32.4 | 123.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 943 | Q | 29 | Very low | 29.4 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -148.7 | 137.9 | 144.1 | -67.8 | -167.2 | -2.8 | 0 | 0 | 108.1 | ||||
| 944 | S | 28.2 | Very low | 29.4 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | cis | 99.6 | 53.5 | 1.9 | 93.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 945 | I | 30 | Very low | 29.3 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -115.8 | 88.9 | 141.9 | -63.7 | 179.6 | 0 | 0 | 0 | 105.6 | ||||
| 946 | T | 28.3 | Very low | 29.1 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | 58.1 | 120.2 | 89.3 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | T948 | T946-T948 HydrophobicContact CG2-CG2 4.25Š| |||
| 947 | T | 31.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | -152.7 | 99.5 | 78.1 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 948 | T | 29.9 | Very low | 29.3 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | 74.1 | 95.9 | 78.5 | 63.2 | 0 | 0 | 0 | 0 | 117.4 | T946 | T946-T948 HydrophobicContact CG2-CG2 4.25Š| |||
| 949 | E | 34.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -162.2 | 137.8 | 136.7 | -102.9 | -145.7 | 165.8 | 0 | 0 | 107.9 | ||||
| 950 | K | 31.4 | Very low | 29.2 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 70% | 0.7 | 73% | 0.733 | S | S | * | * | cis | -132.2 | 143.1 | -5 | -81.2 | -174.3 | 160.7 | 73.5 | 0 | 110.8 | ||||
| 951 | L | 29.7 | Very low | 29.2 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | trans | -148.9 | 157.5 | 149.3 | -140.3 | 90.5 | 0 | 0 | 0 | 108.7 | ||||
| 952 | S | 28.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | 64.5 | 114.3 | 174.3 | 72 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 953 | V | 28.9 | Very low | 28.9 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | -158.3 | 101.2 | 132.5 | 173.9 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 954 | V | 27.7 | Very low | 28.9 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | 75.6 | 132.9 | 76.4 | 171.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 955 | A | 26.9 | Very low | 28.9 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | 79.8 | 113.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 956 | N | 25.6 | Very low | 28.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | 68.5 | 143.8 | 128.8 | -82.4 | 31.8 | 0 | 0 | 0 | 123.8 | |||||
| 957 | E | 29.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | 65.5 | 145.2 | 148.9 | -71.4 | 159.1 | -136.2 | 0 | 0 | 118.8 | ||||
| 958 | Q | 27 | Very low | 28.7 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | cis | -172.3 | 151.7 | -33.1 | -159.1 | 79.2 | -1.1 | 0 | 0 | 103.9 | ||||
| 959 | M | 27.3 | Very low | 28.6 | Very low | 170 Ų | 170 | 141 Ų | 141 | 84% | 0.837 | 74% | 0.739 | S | S | * | * | trans | 65.3 | 154.4 | 163.8 | -73.7 | 166.6 | 57.6 | 0 | 0 | 116 | ||||
| 960 | S | 28.5 | Very low | 28.5 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 52% | 0.517 | 75% | 0.746 | S | S | . | * | cis | -173.3 | 178.8 | -21.5 | 51.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 961 | I | 30.1 | Very low | 28.4 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | trans | 74.8 | 129 | 160.1 | -60.3 | 158.7 | 0 | 0 | 0 | 114.4 | ||||
| 962 | D | 28.6 | Very low | 28.4 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | cis | -166 | 155.1 | -22.7 | -108.4 | -18.9 | 0 | 0 | 0 | 109.1 | ||||
| 963 | N | 26.4 | Very low | 29.1 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | 59.2 | 152.6 | 141.6 | -70.7 | -40.1 | 0 | 0 | 0 | 124.2 | ||||
| 964 | E | 27.6 | Very low | 29.1 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 68.1 | 111 | 153.1 | -71 | 174.1 | 140.2 | 0 | 0 | 119.4 | ||||
| 965 | T | 27.6 | Very low | 29.2 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | 80.2 | 101.2 | 55.2 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 966 | T | 29.9 | Very low | 29.4 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | -174.3 | 128.5 | 125.1 | 21.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 967 | N | 27.2 | Very low | 29.6 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | cis | 86.4 | 73.5 | 31.2 | -168.4 | 15 | 0 | 0 | 0 | 115.5 | ||||
| 968 | R | 30.1 | Very low | 29.6 | Very low | 226 Ų | 226 | 140 Ų | 140 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -168 | 133.3 | 135.4 | -100.5 | 157.3 | -172.2 | -119.9 | 3.9 | 107.2 | ||||
| 969 | K | 27.5 | Very low | 29.5 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | 59.7 | 102.4 | 46.2 | -68.5 | -168.8 | 174.3 | -174.3 | 0 | 113.7 | ||||
| 970 | E | 33.3 | Very low | 29.5 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | -134.3 | 102.7 | 128.8 | -157.8 | 131.5 | -109.7 | 0 | 0 | 109.5 | |||||
| 971 | T | 28.3 | Very low | 29.5 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | trans | -95.1 | 146.5 | 169.6 | 48 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 972 | V | 29.5 | Very low | 29.4 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | 178.3 | 141.6 | 126.6 | 143.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 973 | P | 42.7 | Very low | 29.4 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -102.5 | 171.3 | 174.4 | 40.4 | -34.8 | 0 | 0 | 0 | 112.7 | ||||
| 974 | M | 29.2 | Very low | 29.6 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | -178.3 | 150.4 | 127.7 | -105.5 | -177.9 | 146.9 | 0 | 0 | 115 | |||||
| 975 | D | 30.2 | Very low | 29.6 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | trans | 37.5 | 124.3 | 140.1 | -54.7 | -0.6 | 0 | 0 | 0 | 122.7 | ||||
| 976 | T | 31.2 | Very low | 29.7 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | 162.9 | 100.2 | 122.7 | -67.9 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 977 | I | 29.4 | Very low | 29.6 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | 71.7 | 146.6 | 63.4 | -53.3 | 166.2 | 0 | 0 | 0 | 112 | |||||
| 978 | I | 28.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | trans | 84.3 | 96 | -178.3 | -47.4 | -175.7 | 0 | 0 | 0 | 112.5 | ||||
| 979 | T | 27 | Very low | 29.5 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | 83.7 | 133.5 | 53.5 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 980 | A | 27 | Very low | 29.6 | Very low | 78 Ų | 78 | 123.7 Ų | 123.7 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | cis | -174.1 | -163.5 | -18.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 981 | V | 27.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | trans | 76.5 | 114.6 | 164.4 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 982 | S | 28.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | cis | 64.8 | 157.6 | 47.5 | -40.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 983 | T | 28.7 | Very low | 29.2 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | cis | -140 | 129 | 3.3 | 45.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 984 | D | 28.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | 78.5 | 171.9 | 98.8 | -60.3 | -61.1 | 0 | 0 | 0 | 115.9 | |||||
| 985 | D | 28.3 | Very low | 28.5 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | trans | 60.6 | 97.5 | 169.7 | -65.8 | -40.6 | 0 | 0 | 0 | 117.3 | Q720 | Q720-D985 PolarHBondContact NE2-OD2 2.87Š| ||
| 986 | T | 28.7 | Very low | 28.5 | Very low | 107 Ų | 107 | 122 Ų | 122 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | 65.4 | 127.1 | 58.4 | 89.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 987 | M | 28.9 | Very low | 28.5 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 77% | 0.768 | 67% | 0.67 | S | S | * | * | trans | 147 | 107.9 | 143.4 | -76.3 | -75.1 | 161.1 | 0 | 0 | 107.1 | ||||
| 988 | N | 27.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | 67.4 | 96.7 | 68.5 | -173.2 | 51.6 | 0 | 0 | 0 | 111.7 | |||||
| 989 | E | 27.2 | Very low | 29.1 | Very low | 152 Ų | 152 | 119.6 Ų | 119.6 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | -173.9 | 123.4 | 109.7 | -84.6 | -114 | 84.1 | 0 | 0 | 107.4 | |||||
| 990 | S | 29.7 | Very low | 29.6 | Very low | 76 Ų | 76 | 116.8 Ų | 116.8 | 53% | 0.531 | 63% | 0.633 | S | S | . | * | 88 | 150.8 | 61.5 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 991 | K | 28.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 115.7 Ų | 115.7 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | trans | 64.5 | 151.1 | 167.7 | -74 | 170.2 | 169.2 | 166.2 | 0 | 114.9 | T993 | K991-T993 HydrophobicContact CB-CG2 4.44Å; K991-T993 HydrophobicContact CG-CG2 3.87Å | ||
| 992 | V | 28.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 114.3 Ų | 114.3 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | cis | -128 | 115.1 | 18.2 | 157.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 993 | T | 27.1 | Very low | 31 | Very low | 74 Ų | 74 | 115 Ų | 115 | 45% | 0.454 | 60% | 0.604 | S | S | . | * | 74.2 | 124.5 | 66.9 | 60.3 | 0 | 0 | 0 | 0 | 115.6 | K991 | K991-T993 HydrophobicContact CB-CG2 4.44Å; K991-T993 HydrophobicContact CG-CG2 3.87Å | |||
| 994 | E | 27.9 | Very low | 31.2 | Very low | 155 Ų | 155 | 116.1 Ų | 116.1 | 72% | 0.724 | 61% | 0.606 | S | S | * | * | trans | 75.9 | 159.3 | 133.1 | -68.1 | 178.7 | 123.7 | 0 | 0 | 118.7 | ||||
| 995 | N | 28.1 | Very low | 31.5 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | cis | -154.5 | 143.3 | -15.1 | -105.3 | -12.9 | 0 | 0 | 0 | 108.7 | ||||
| 996 | H | 31.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 117.2 Ų | 117.2 | 66% | 0.662 | 62% | 0.615 | S | S | * | * | 87.3 | 142.8 | 68.7 | -135.2 | -40 | 0 | 0 | 0 | 112.3 | |||||
| 997 | D | 31.5 | Very low | 32 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | trans | 80.5 | 150 | 153.5 | -75 | 2.3 | 0 | 0 | 0 | 123 | ||||
| 998 | K | 34.2 | Very low | 32.2 | Very low | 136 Ų | 136 | 115.5 Ų | 115.5 | 59% | 0.591 | 61% | 0.613 | S | S | * | * | cis | -177.2 | 175.4 | -32.4 | -121.7 | -168 | -125.5 | 109.8 | 0 | 110.5 | ||||
| 999 | H | 36.7 | Very low | 32.7 | Very low | 99 Ų | 99 | 117 Ų | 117 | 46% | 0.458 | 61% | 0.614 | S | S | . | * | trans | 70 | 171.4 | 150.3 | -70.9 | -48.4 | 0 | 0 | 0 | 121.9 | N660 | N660-H999 PolarHBondContact O-CE1 3.04Š| ||
| 1000 | D | 35.9 | Very low | 33 | Very low | 68 Ų | 68 | 114.1 Ų | 114.1 | 36% | 0.364 | 60% | 0.603 | S | S | . | * | -154.1 | -153.2 | -121.5 | 42.3 | 27.3 | 0 | 0 | 0 | 111.6 | G662 | G662-D1000 PolarHBondContact N-OD1 3.15Š| |||
| 1001 | D | 38.9 | Very low | 33.2 | Very low | 56 Ų | 56 | 116.5 Ų | 116.5 | 30% | 0.299 | 61% | 0.606 | S | S | . | * | cis | -161.1 | -168.8 | 17.9 | -154.8 | -10.8 | 0 | 0 | 0 | 112.2 | Q657 D661 | Q657-D1001 WeakPolarHBondContact CG-OD1 3.32Å; Q657-D1001 PolarHBondContact NE2-OD1 3.27Å; D661-D1001 PolarHBondContact N-OD2 3.16Å | ||
| 1002 | V | 39.8 | Very low | 33.5 | Very low | 96 Ų | 96 | 115 Ų | 115 | 58% | 0.582 | 60% | 0.599 | S | S | * | * | trans | 94.4 | 115.3 | 136 | 143.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1003 | D | 35.2 | Very low | 33.8 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 65% | 0.647 | 60% | 0.599 | S | S | * | * | 101.3 | 120.7 | 128.3 | -86.8 | 17.6 | 0 | 0 | 0 | 127.7 | |||||
| 1004 | N | 34 | Very low | 34.1 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 69% | 0.69 | 62% | 0.617 | S | S | * | * | 56.2 | 135.6 | 127.2 | -66.3 | -40.7 | 0 | 0 | 0 | 121.2 | |||||
| 1005 | N | 34 | Very low | 34.3 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | cis | 178.1 | 159.4 | 47.8 | -155 | 3.2 | 0 | 0 | 0 | 115.3 | ||||
| 1006 | V | 37.2 | Very low | 34.6 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 66% | 0.661 | 62% | 0.624 | S | S | * | * | trans | 66.4 | 98.2 | 144 | 151.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1007 | T | 31.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | 67.7 | 145.3 | 116 | -25.8 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1008 | T | 32 | Very low | 34.7 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.693 | 64% | 0.636 | S | S | * | * | trans | 124 | 125.3 | 130 | 19.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1009 | K | 37.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 65% | 0.648 | 64% | 0.638 | S | S | * | * | trans | 82 | 155.4 | 142.7 | -72.1 | -178.6 | 179.6 | 178.3 | 0 | 121.7 | ||||
| 1010 | L | 33.7 | Very low | 34.5 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 49% | 0.487 | 66% | 0.656 | S | S | . | * | cis | -178.4 | 105.3 | -19.5 | 176.5 | 121.8 | 0 | 0 | 0 | 113.2 | Q682 | Q682-L1010 VanDerWaalsContact CD-N 3.25Å; Q682-L1010 VanDerWaalsContact CD-O 3.28Å; Q682-L1010 PolarHBondContact NE2-O 3.22Å; Q682-L1010 PolarHBondContact OE1-O 2.91Å; Q682-L1010 VanDerWaalsContact OE1-O 3.1Å | ||
| 1011 | E | 33.4 | Very low | 34.4 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 58% | 0.584 | 67% | 0.671 | S | S | * | * | trans | 54.9 | 148.1 | 155.5 | -52.4 | 173.4 | 92.1 | 0 | 0 | 125.2 | Q682 | Q682-E1011 PolarHBondContact OE1-O 3.26Š| ||
| 1012 | K | 35.8 | Very low | 34.1 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 61% | 0.609 | 70% | 0.701 | S | S | * | * | 113.7 | 123.9 | 118.4 | -139.7 | 161.3 | 177.4 | 172.8 | 0 | 119.9 | |||||
| 1013 | Y | 34.1 | Very low | 33.7 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | -176.4 | 149 | 97 | -102.9 | -74.3 | 0 | 0 | 0 | 114.8 | |||||
| 1014 | K | 32.9 | Very low | 33.3 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -148 | 145 | -179.4 | 170 | -172.2 | 173.7 | -173.7 | 0 | 108.6 | ||||
| 1015 | M | 33.6 | Very low | 33.3 | Very low | 153 Ų | 153 | 143 Ų | 143 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -155.1 | 149.9 | 171.1 | -90 | -177.8 | 152.6 | 0 | 0 | 109.6 | ||||
| 1016 | E | 33.1 | Very low | 33 | Very low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | cis | -166 | -170.8 | -25.5 | -139.1 | 155.6 | -134.3 | 0 | 0 | 109.7 | ||||
| 1017 | E | 34.2 | Very low | 32.7 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | 77.4 | 129.9 | 171.5 | -157.6 | 164.5 | -114.8 | 0 | 0 | 116.5 | ||||
| 1018 | N | 31.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | cis | -162.2 | 166.7 | -26.2 | -114.4 | -18.7 | 0 | 0 | 0 | 113.2 | ||||
| 1019 | V | 33.1 | Very low | 32.7 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | 21.6 | 139.8 | 133.7 | -178.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1020 | E | 32.3 | Very low | 32.4 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | cis | -139.1 | -172.8 | 9.4 | -143.4 | 114.3 | -121.2 | 0 | 0 | 107.7 | ||||
| 1021 | S | 33.9 | Very low | 32.1 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | -158.6 | 133.5 | 1.9 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1022 | D | 34 | Very low | 32 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | 31 | 175.6 | 144.2 | -79 | -19.8 | 0 | 0 | 0 | 125.9 | ||||
| 1023 | S | 30.5 | Very low | 31.7 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -128.6 | 161.9 | -162.9 | 66 | 0 | 0 | 0 | 0 | 115 | ||||
| 1024 | N | 27.3 | Very low | 31.4 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | 49.2 | 114.1 | 156.3 | -67.5 | -18.3 | 0 | 0 | 0 | 119.8 | ||||
| 1025 | K | 33.7 | Very low | 31.2 | Very low | 206 Ų | 206 | 142.1 Ų | 142.1 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | trans | -148.6 | 152.9 | 139.8 | -130.7 | -177.5 | -179.5 | -166.9 | 0 | 113.9 | ||||
| 1026 | T | 27.5 | Very low | 30.9 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | -108.3 | 141.9 | -172 | -46.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1027 | E | 32 | Very low | 30.7 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | 179.4 | 116.2 | 149.6 | -97.5 | 149.2 | -138.5 | 0 | 0 | 105.6 | ||||
| 1028 | H | 30.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | cis | 87.8 | 156 | 48.6 | -161.9 | -80.9 | 0 | 0 | 0 | 113.3 | ||||
| 1029 | V | 32 | Very low | 30.4 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | 82.5 | 79.2 | 178.7 | -169.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1030 | T | 31.1 | Very low | 30.3 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 64% | 0.638 | 74% | 0.736 | S | S | * | * | 69.8 | 116.5 | 92.5 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1031 | T | 27 | Very low | 30.4 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | 80.4 | 124.9 | 77.8 | -49 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1032 | D | 32.8 | Very low | 30.1 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | 158.9 | 153.6 | 141.5 | -82 | -3.6 | 0 | 0 | 0 | 108.9 | ||||
| 1033 | E | 27.7 | Very low | 29.9 | Very low | 141 Ų | 141 | 137 Ų | 137 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | cis | -164.3 | 168.1 | -46.5 | -128.5 | -149.5 | 115.2 | 0 | 0 | 107.4 | ||||
| 1034 | Q | 29 | Very low | 29.8 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 57% | 0.57 | 72% | 0.723 | S | S | * | * | trans | 57.5 | 121 | 151.8 | -67 | 171.6 | 30 | 0 | 0 | 122.2 | ||||
| 1035 | Q | 28 | Very low | 29.8 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | 74.4 | 157.9 | 128.1 | -63.9 | 169.5 | 27.9 | 0 | 0 | 117.5 | |||||
| 1036 | Q | 27.5 | Very low | 29.6 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | cis | -154.3 | 157.1 | 7.1 | -138 | 154.1 | 22.3 | 0 | 0 | 110.9 | ||||
| 1037 | D | 29.2 | Very low | 29.6 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | 58.7 | 161.7 | 148.6 | -74.3 | -4.9 | 0 | 0 | 0 | 121.9 | ||||
| 1038 | S | 27.5 | Very low | 29.5 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | cis | -169 | 171.5 | -32.8 | 60.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1039 | T | 31.5 | Very low | 29.4 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | trans | 71.2 | 149.2 | 171.7 | 75.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1040 | H | 32 | Very low | 29.2 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | cis | -149.7 | 138.8 | 1.7 | -140.3 | 39.3 | 0 | 0 | 0 | 111.9 | ||||
| 1041 | V | 33.1 | Very low | 29 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | 45.7 | 139.1 | 128.4 | 166.1 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1042 | N | 27.6 | Very low | 29 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | cis | 173 | 153.6 | -23.3 | -116.1 | -24.8 | 0 | 0 | 0 | 106.7 | ||||
| 1043 | Q | 30.4 | Very low | 28.6 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | 64.5 | 148.6 | 169.1 | -61.5 | 165.1 | 10 | 0 | 0 | 113.8 | ||||
| 1044 | T | 28.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | cis | -161.5 | 146.2 | -3.3 | -112.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1045 | L | 27.9 | Very low | 28.5 | Very low | 149 Ų | 149 | 123 Ų | 123 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | cis | -139.6 | -140.4 | 24.2 | -159.1 | 38.6 | 0 | 0 | 0 | 112.3 | ||||
| 1046 | T | 28 | Very low | 28.5 | Very low | 106 Ų | 106 | 121 Ų | 121 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -74.6 | 164 | -176.2 | 49.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1047 | T | 28.4 | Very low | 28.7 | Very low | 120 Ų | 120 | 119 Ų | 119 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | cis | -165.9 | 145.8 | -17.6 | -92.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1048 | V | 29.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -54.1 | 172.7 | 170.8 | -70.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1049 | V | 29 | Very low | 29.2 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | cis | -153.1 | 165.9 | 20.8 | -131 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1050 | N | 27.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | trans | 21.7 | 145.5 | 136.3 | -65.9 | 25.6 | 0 | 0 | 0 | 123.6 | ||||
| 1051 | E | 26.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | 52.3 | 117.1 | 131.6 | -59.9 | 167.8 | 121.3 | 0 | 0 | 120.9 | ||||
| 1052 | T | 27.1 | Very low | 29.5 | Very low | 136 Ų | 136 | 117.8 Ų | 117.8 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | 67.9 | 132.1 | 143 | 57.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 1053 | A | 25 | Very low | 29.8 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | trans | 74.4 | 147.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1054 | A | 26.2 | Very low | 30.1 | Very low | 85 Ų | 85 | 115.8 Ų | 115.8 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | 64.2 | 119.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1055 | A | 27.4 | Very low | 30.3 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 74% | 0.744 | 73% | 0.727 | S | S | * | * | trans | 110.9 | 149.3 | 133.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1056 | A | 29 | Very low | 30.3 | Very low | 99 Ų | 99 | 113.6 Ų | 113.6 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -159.3 | 142.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1057 | A | 31.9 | Very low | 30.5 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | -173.5 | 150.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1058 | A | 34 | Very low | 30.2 | Very low | 89 Ų | 89 | 116 Ų | 116 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | cis | -163.1 | -160.7 | -12.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1059 | E | 32.8 | Very low | 30.2 | Very low | 184 Ų | 184 | 119.4 Ų | 119.4 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | 79.9 | 145.3 | 164.9 | -57.7 | -145.3 | 131.7 | 0 | 0 | 119 | ||||
| 1060 | V | 36.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | cis | -153.1 | 131.3 | -12.3 | 116.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1061 | V | 34.9 | Very low | 30.2 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 29.8 | 136.6 | 137.7 | -175.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 1062 | G | 31.1 | Very low | 30.5 | Very low | 66 Ų | 66 | 116.7 Ų | 116.7 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | trans | 172.7 | 134.7 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1063 | N | 33.7 | Very low | 30.6 | Very low | 137 Ų | 137 | 117.7 Ų | 117.7 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | cis | -157 | 168.1 | 1.7 | -132.1 | 43.5 | 0 | 0 | 0 | 112.9 | ||||
| 1064 | D | 37.1 | Very low | 30.9 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | trans | 75.5 | 97.6 | 149.9 | -78.4 | -54.8 | 0 | 0 | 0 | 124.9 | ||||
| 1065 | S | 32 | Very low | 31 | Very low | 86 Ų | 86 | 123 Ų | 123 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | 106.3 | 110.9 | 100.7 | -83.3 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1066 | I | 29.5 | Very low | 31.1 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | 95.6 | 115.4 | 120.6 | -72.2 | 171.4 | 0 | 0 | 0 | 122 | |||||
| 1067 | Q | 30.4 | Very low | 30.9 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | 59 | 117.8 | 149.3 | -67.2 | 173.6 | 51 | 0 | 0 | 119.8 | ||||
| 1068 | T | 23.6 | Very low | 30.6 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | cis | 98.4 | 143.8 | 33.5 | 64.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1069 | K | 28.9 | Very low | 30.2 | Very low | 193 Ų | 193 | 129.9 Ų | 129.9 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | trans | 90.5 | 118.7 | 172.5 | -60 | 174.8 | -177.1 | 174 | 0 | 114 | ||||
| 1070 | S | 27.8 | Very low | 29.9 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | 97.7 | 142.4 | 70.6 | -152.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 1071 | S | 29.3 | Very low | 29.6 | Very low | 82 Ų | 82 | 131 Ų | 131 | 57% | 0.573 | 71% | 0.706 | S | S | * | * | cis | -153.5 | 175.8 | 12.6 | -33 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1072 | D | 32.3 | Very low | 29.3 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | 65.3 | 123.8 | 137.7 | -58 | -12.8 | 0 | 0 | 0 | 118.8 | ||||
| 1073 | E | 29.4 | Very low | 29.1 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | 65.8 | 140.9 | 77.6 | -79.4 | -154.4 | 154.7 | 0 | 0 | 114.3 | |||||
| 1074 | Q | 31.3 | Very low | 28.8 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | cis | -166.3 | 176 | -14.6 | -135.5 | -167.6 | 77.7 | 0 | 0 | 107.7 | ||||
| 1075 | L | 28.4 | Very low | 28.4 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | trans | 69.7 | 139.3 | 165.1 | -56 | 143.6 | 0 | 0 | 0 | 116.2 | ||||
| 1076 | K | 28.4 | Very low | 28.2 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | cis | 95.6 | 143.2 | 18.1 | -165.9 | -166.1 | 173.3 | -69.6 | 0 | 114.4 | ||||
| 1077 | D | 26.5 | Very low | 28.2 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 58% | 0.583 | 72% | 0.719 | S | S | * | * | trans | 82.3 | 154.2 | 166.8 | -63.3 | -43.7 | 0 | 0 | 0 | 120 | ||||
| 1078 | T | 25.2 | Very low | 28.1 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | 77.7 | 112.2 | 160 | -45 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1079 | I | 25.4 | Very low | 28.3 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | cis | 106.6 | 130 | 35.6 | -74.7 | 165 | 0 | 0 | 0 | 111.7 | ||||
| 1080 | E | 26.3 | Very low | 28.2 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 78.4 | 148.6 | 156.1 | -88.6 | 168.9 | -132.2 | 0 | 0 | 124.4 | ||||
| 1081 | Q | 29 | Very low | 28.1 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | 70.1 | 141.3 | 159.7 | -64.2 | 158.4 | 56.1 | 0 | 0 | 115.6 | ||||
| 1082 | E | 28.9 | Very low | 28 | Very low | 153 Ų | 153 | 139 Ų | 139 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | cis | -150.8 | 143.5 | 28.3 | -173.4 | 164.5 | -162.2 | 0 | 0 | 115.1 | ||||
| 1083 | Q | 28 | Very low | 27.6 | Very low | 144 Ų | 144 | 139 Ų | 139 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | trans | 58.7 | 118.3 | 158.3 | -72.4 | -176.9 | 70.4 | 0 | 0 | 121.6 | ||||
| 1084 | R | 26.1 | Very low | 27.5 | Very low | 222 Ų | 222 | 136 Ų | 136 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | 69.7 | 133.9 | 90.2 | -80 | -175.1 | 164 | -156.8 | -1.4 | 115 | |||||
| 1085 | T | 29.1 | Very low | 27.4 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | -155.5 | 144.1 | 9.5 | 17.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1086 | K | 27.6 | Very low | 27.5 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | 48 | 145 | 90 | -75.4 | -168.8 | 175.8 | -173.1 | 0 | 116.2 | |||||
| 1087 | P | 31.3 | Very low | 27.3 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | cis | -138.4 | 166.8 | 13.1 | 49.5 | -32.7 | 0 | 0 | 0 | 116 | ||||
| 1088 | V | 27.3 | Very low | 27.3 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | 71.6 | 108.7 | 111.6 | 164.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1089 | L | 27.8 | Very low | 27.4 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | 93.2 | 151.8 | 93.4 | -143.3 | 89.3 | 0 | 0 | 0 | 110.5 | |||||
| 1090 | D | 27.2 | Very low | 27.5 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | cis | -153.6 | -170.6 | 15.7 | -154.6 | -14 | 0 | 0 | 0 | 112.2 | ||||
| 1091 | S | 25.4 | Very low | 27.5 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | trans | -47.1 | 178.9 | 167.2 | 72.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1092 | S | 27.3 | Very low | 27.3 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | cis | -164.3 | 175.2 | 16.8 | 4.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1093 | T | 24.8 | Very low | 27.3 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | 28.9 | 130.7 | 134.6 | -48 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1094 | S | 26.4 | Very low | 27.2 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | cis | -161.2 | 159.9 | 33.2 | 22.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1095 | Q | 28.1 | Very low | 27.2 | Very low | 180 Ų | 180 | 123.1 Ų | 123.1 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | 52.8 | 153.3 | 68.9 | -100.7 | -159.4 | 24.8 | 0 | 0 | 115.1 | |||||
| 1096 | P | 31.7 | Very low | 27.1 | Very low | 89 Ų | 89 | 122 Ų | 122 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | cis | -140.4 | -156.5 | -11.8 | 29.2 | -2.9 | 0 | 0 | 0 | 113.2 | ||||
| 1097 | L | 25 | Very low | 27.2 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | 79.7 | 117 | 156.1 | -61.3 | 168.8 | 0 | 0 | 0 | 116.4 | ||||
| 1098 | E | 25.8 | Very low | 27 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | 73.5 | 148 | 79.5 | -77.2 | -166.1 | 153.9 | 0 | 0 | 113.2 | |||||
| 1099 | K | 27 | Very low | 27 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | cis | -163.7 | 154.8 | 14.5 | -133.8 | 166.3 | -172.3 | 135.3 | 0 | 110.5 | ||||
| 1100 | S | 26.9 | Very low | 26.9 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | 59.4 | 155.9 | 140.5 | -75.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1101 | A | 28 | Very low | 27 | Very low | 74 Ų | 74 | 118.7 Ų | 118.7 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | cis | -163.4 | 172 | -9.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1102 | N | 24.7 | Very low | 27.1 | Very low | 143 Ų | 143 | 119.8 Ų | 119.8 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | trans | 28 | 115.9 | 146.6 | -51.4 | 4.7 | 0 | 0 | 0 | 116.6 | ||||
| 1103 | G | 28.2 | Very low | 27 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | 115.3 | -168.8 | 62.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1104 | Q | 26.1 | Very low | 27 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | cis | -161.8 | 136.2 | -5.8 | -130.6 | -166.7 | -70.9 | 0 | 0 | 107.5 | ||||
| 1105 | V | 26.6 | Very low | 26.9 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 67% | 0.673 | 70% | 0.696 | S | S | * | * | trans | 65.7 | 156.3 | 143.5 | 170.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1106 | S | 26.3 | Very low | 26.8 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | trans | 70.1 | 140.8 | 155.8 | 56.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1107 | D | 29.6 | Very low | 26.9 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | cis | -162.8 | 167.6 | -16.8 | -108.7 | -27.8 | 0 | 0 | 0 | 111.4 | ||||
| 1108 | E | 26.5 | Very low | 27 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | trans | 27.4 | 144.3 | 138 | -58.1 | -117.2 | 119.4 | 0 | 0 | 120.9 | ||||
| 1109 | K | 27.8 | Very low | 27.3 | Very low | 145 Ų | 145 | 116 Ų | 116 | 63% | 0.63 | 70% | 0.697 | S | S | * | * | cis | 169.5 | 160.3 | -2.5 | 179.8 | -161.9 | -127.2 | 134.1 | 0 | 106.3 | ||||
| 1110 | S | 26 | Very low | 27.4 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | trans | 69.7 | 148.4 | 160.1 | 4.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1111 | T | 28 | Very low | 27.6 | Very low | 113 Ų | 113 | 117 Ų | 117 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | cis | -164.1 | 162.9 | -9.2 | -0.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1112 | T | 27.9 | Very low | 28.1 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | trans | 62.7 | 136.1 | 156.9 | 52.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1113 | N | 26.5 | Very low | 28.7 | Very low | 130 Ų | 130 | 115.7 Ų | 115.7 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | cis | -154 | 151.6 | 8.1 | -104.8 | -24.6 | 0 | 0 | 0 | 113.4 | ||||
| 1114 | T | 24.2 | Very low | 29.3 | Very low | 116 Ų | 116 | 116.1 Ų | 116.1 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | trans | 59.5 | 109.3 | 152.1 | 52.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1115 | S | 24.1 | Very low | 30.3 | Very low | 111 Ų | 111 | 110.2 Ų | 110.2 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | trans | 86.5 | 138.4 | 138.5 | 75.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1116 | S | 25.2 | Very low | 31.2 | Very low | 80 Ų | 80 | 107.1 Ų | 107.1 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | trans | 61.5 | 109.2 | 167.8 | 70.1 | 0 | 0 | 0 | 0 | 118.9 | Q764 | Q764-S1116 VanDerWaalsContact NE2-CB 3.33Å; Q764-S1116 PolarHBondContact NE2-OG 3.23Å | ||
| 1117 | L | 34.2 | Very low | 32.1 | Very low | 133 Ų | 133 | 106.4 Ų | 106.4 | 70% | 0.696 | 63% | 0.634 | S | S | * | * | -166.5 | 126 | 125.3 | -132.2 | 65.9 | 0 | 0 | 0 | 110.6 | Q764 | Q764-L1117 HydrophobicContact CG-CD1 3.83Š| |||
| 1118 | S | 28 | Very low | 33.2 | Very low | 125 Ų | 125 | 104 Ų | 104 | 87% | 0.874 | 62% | 0.621 | S | S | * | * | trans | -118.1 | 102 | 172.8 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1119 | S | 31.4 | Very low | 34.7 | Very low | 91 Ų | 91 | 98.9 Ų | 98.9 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | trans | -156.7 | 144.3 | -171.8 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1120 | S | 28.9 | Very low | 35.6 | Very low | 108 Ų | 108 | 95.8 Ų | 95.8 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | cis | -159.5 | 137.3 | 5.7 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1121 | L | 32.1 | Very low | 36.6 | Very low | 169 Ų | 169 | 93.9 Ų | 93.9 | 89% | 0.885 | 59% | 0.589 | S | S | * | * | trans | -147.9 | 133.5 | 148.3 | -98 | 131.4 | 0 | 0 | 0 | 106.9 | ||||
| 1122 | P | 37.4 | Very low | 37.9 | Very low | 105 Ų | 105 | 90.8 Ų | 90.8 | 68% | 0.682 | 58% | 0.575 | S | S | * | * | trans | -69.3 | 152.7 | -175.3 | 28.6 | -34.9 | 0 | 0 | 0 | 111.5 | N1124 | P1122-N1124 PolarHBondContact O-N 3.5Š| ||
| 1123 | P | 37.8 | Very low | 39.3 | Very low | 85 Ų | 85 | 87.8 Ų | 87.8 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | trans | -65.4 | 104.2 | 173 | 28.5 | -33.3 | 0 | 0 | 0 | 108.6 | Y828 | Y828-P1123 HydrophobicContact CD1-CG 4.32Å; Y828-P1123 HydrophobicContact CE1-CG 3.78Å | ||
| 1124 | N | 40.9 | Very low | 40.4 | Very low | 87 Ų | 87 | 85.4 Ų | 85.4 | 47% | 0.465 | 55% | 0.554 | S | S | . | * | trans | -61.9 | 126.4 | 177.9 | -174.2 | -27.8 | 0 | 0 | 0 | 108.3 | P1122 N1126 S1127 | P1122-N1124 PolarHBondContact O-N 3.5Å; N1124-N1126 PolarHBondContact O-N 3.18Å; N1124-N1126 VanDerWaalsContact O-N 3.07Å; N1124-N1126 WeakPolarHBondContact OD1-CB 3.49Å; N1124-N1126 PolarHBondContact OD1-N 3.45Å; N1124-N1126 VanDerWaalsContact OD1-N 3.16Å; N1124-N1126 PolarHBondContact OD1-ND2 2.93Å; N1124-S1127 WeakPolarHBondContact O-CA 3.45Å; N1124-S1127 WeakPolarHBondContact O-CB 3.46Å; N1124-S1127 PolarHBondContact O-N 3.03Å | ||
| 1125 | P | 46.5 | Very low | 41.9 | Very low | 31 Ų | 31 | 82.8 Ų | 82.8 | 20% | 0.201 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.6 | -178.7 | 20.2 | -33.7 | 0 | 0 | 0 | 114.1 | Y828 L836 S1127 L1128 | Y828-P1125 WeakPolarHBondContact O-CB 3.29Å; Y828-P1125 WeakPolarHBondContact O-CG 3.48Å; L836-P1125 HydrophobicContact CD1-CB 4.26Å; L836-P1125 HydrophobicContact CD1-CG 3.68Å; L836-P1125 HydrophobicContact CD2-CB 4.06Å; L836-P1125 HydrophobicContact CD2-CG 4.12Å; L836-P1125 HydrophobicContact CG-CG 4.45Å; P1125-S1127 PolarHBondContact O-N 3.28Å; P1125-L1128 PolarHBondContact O-N 2.99Å; P1125-L1128 VanDerWaalsContact O-N 3.09Å |
| 1126 | N | 45.4 | Very low | 43.4 | Very low | 47 Ų | 47 | 80 Ų | 80 | 25% | 0.251 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.3 | -17.3 | 168 | -68.2 | -74.7 | 0 | 0 | 0 | 113.1 | N1124 T1130 | N1124-N1126 PolarHBondContact O-N 3.18Å; N1124-N1126 VanDerWaalsContact O-N 3.07Å; N1124-N1126 WeakPolarHBondContact OD1-CB 3.49Å; N1124-N1126 PolarHBondContact OD1-N 3.45Å; N1124-N1126 VanDerWaalsContact OD1-N 3.16Å; N1124-N1126 PolarHBondContact OD1-ND2 2.93Å; N1126-T1130 WeakPolarHBondContact O-CB 3.41Å; N1126-T1130 PolarHBondContact O-N 3.39Å; N1126-T1130 PolarHBondContact O-OG1 3.26Å |
| 1127 | S | 46.2 | Very low | 44.9 | Very low | 76 Ų | 76 | 78.1 Ų | 78.1 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 174.6 | -170.6 | 0 | 0 | 0 | 0 | 113.3 | N1124 P1125 T1130 A1131 | N1124-S1127 WeakPolarHBondContact O-CA 3.45Å; N1124-S1127 WeakPolarHBondContact O-CB 3.46Å; N1124-S1127 PolarHBondContact O-N 3.03Å; P1125-S1127 PolarHBondContact O-N 3.28Å; S1127-T1130 PolarHBondContact O-N 2.66Å; S1127-A1131 VanDerWaalsContact O-CB 3.23Å; S1127-A1131 WeakPolarHBondContact O-CB 3.05Å; S1127-A1131 PolarHBondContact O-N 3.24Å |
| 1128 | L | 51.9 | Low | 45.9 | Very low | 89 Ų | 89 | 74.5 Ų | 74.5 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.8 | -43.3 | 177.1 | -176.2 | 61.5 | 0 | 0 | 0 | 110.1 | L829 P1125 T1130 A1131 A1132 | L829-L1128 HydrophobicContact CD2-CD2 4.21Å; P1125-L1128 PolarHBondContact O-N 2.99Å; P1125-L1128 VanDerWaalsContact O-N 3.09Å; L1128-T1130 VanDerWaalsContact C-N 3.3Å; L1128-T1130 PolarHBondContact O-N 3.09Å; L1128-A1131 PolarHBondContact O-N 2.65Å; L1128-A1132 WeakPolarHBondContact O-CB 3.35Å; L1128-A1132 PolarHBondContact O-N 3.44Å |
| 1129 | G | 57.4 | Low | 47.3 | Very low | 31 Ų | 31 | 71.2 Ų | 71.2 | 32% | 0.32 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1133 | G1129-A1133 WeakPolarHBondContact O-CB 3.5Å; G1129-A1133 PolarHBondContact O-N 3.23Å |
| 1130 | T | 48.7 | Very low | 48.8 | Very low | 80 Ų | 80 | 69 Ų | 69 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.5 | -40.1 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | N1126 S1127 L1128 A1133 C1134 | N1126-T1130 WeakPolarHBondContact O-CB 3.41Å; N1126-T1130 PolarHBondContact O-N 3.39Å; N1126-T1130 PolarHBondContact O-OG1 3.26Å; S1127-T1130 PolarHBondContact O-N 2.66Å; L1128-T1130 VanDerWaalsContact C-N 3.3Å; L1128-T1130 PolarHBondContact O-N 3.09Å; T1130-A1133 CarbonylContact O-C 3.47Å; T1130-A1133 PolarHBondContact O-N 2.89Å; T1130-C1134 VanDerWaalsContact O-CB 3.26Å; T1130-C1134 WeakPolarHBondContact O-CB 3.35Å; T1130-C1134 PolarHBondContact O-N 2.89Å; T1130-C1134 PolarHBondContact O-SG 3.26Å; T1130-C1134 VanDerWaalsContact O-SG 3.35Å |
| 1131 | A | 45.3 | Very low | 50.5 | Low | 53 Ų | 53 | 69 Ų | 69 | 44% | 0.438 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1127 L1128 C1134 A1135 | S1127-A1131 VanDerWaalsContact O-CB 3.23Å; S1127-A1131 WeakPolarHBondContact O-CB 3.05Å; S1127-A1131 PolarHBondContact O-N 3.24Å; L1128-A1131 PolarHBondContact O-N 2.65Å; A1131-C1134 PolarHBondContact O-N 2.97Å; A1131-A1135 WeakPolarHBondContact O-CB 3.31Å; A1131-A1135 PolarHBondContact O-N 2.89Å |
| 1132 | A | 56.9 | Low | 51.8 | Low | 48 Ų | 48 | 68.7 Ų | 68.7 | 40% | 0.397 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | L1128 C1134 A1135 L1136 | L1128-A1132 WeakPolarHBondContact O-CB 3.35Å; L1128-A1132 PolarHBondContact O-N 3.44Å; A1132-C1134 VanDerWaalsContact C-N 3.27Å; A1132-C1134 PolarHBondContact O-N 3.19Å; A1132-A1135 PolarHBondContact O-N 2.95Å; A1132-L1136 VanDerWaalsContact O-CB 3.3Å; A1132-L1136 WeakPolarHBondContact O-CB 3.43Å; A1132-L1136 WeakPolarHBondContact O-CG 3.39Å; A1132-L1136 PolarHBondContact O-N 3.21Å |
| 1133 | A | 56 | Low | 53.3 | Low | 48 Ų | 48 | 66.4 Ų | 66.4 | 40% | 0.397 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -33.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1129 T1130 A1137 | G1129-A1133 WeakPolarHBondContact O-CB 3.5Å; G1129-A1133 PolarHBondContact O-N 3.23Å; T1130-A1133 CarbonylContact O-C 3.47Å; T1130-A1133 PolarHBondContact O-N 2.89Å; A1133-A1137 WeakPolarHBondContact O-CB 3.34Å; A1133-A1137 PolarHBondContact O-N 2.95Å |
| 1134 | C | 49.8 | Very low | 55 | Low | 80 Ų | 80 | 69.8 Ų | 69.8 | 54% | 0.541 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.6 | -41.1 | 173.6 | -79.2 | 0 | 0 | 0 | 0 | 112.3 | T1130 A1131 A1132 L1136 A1137 A1138 | T1130-C1134 VanDerWaalsContact O-CB 3.26Å; T1130-C1134 WeakPolarHBondContact O-CB 3.35Å; T1130-C1134 PolarHBondContact O-N 2.89Å; T1130-C1134 PolarHBondContact O-SG 3.26Å; T1130-C1134 VanDerWaalsContact O-SG 3.35Å; A1131-C1134 PolarHBondContact O-N 2.97Å; A1132-C1134 VanDerWaalsContact C-N 3.27Å; A1132-C1134 PolarHBondContact O-N 3.19Å; C1134-L1136 VanDerWaalsContact C-N 3.32Å; C1134-A1137 PolarHBondContact O-N 2.69Å; C1134-A1138 VanDerWaalsContact O-CB 3.29Å; C1134-A1138 WeakPolarHBondContact O-CB 3.35Å; C1134-A1138 PolarHBondContact O-N 3.31Å |
| 1135 | A | 55.6 | Low | 56.8 | Low | 62 Ų | 62 | 71.8 Ų | 71.8 | 51% | 0.512 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1131 A1132 A1138 A1139 | A1131-A1135 WeakPolarHBondContact O-CB 3.31Å; A1131-A1135 PolarHBondContact O-N 2.89Å; A1132-A1135 PolarHBondContact O-N 2.95Å; A1135-A1138 PolarHBondContact O-N 2.86Å; A1135-A1139 VanDerWaalsContact O-CB 3.29Å; A1135-A1139 WeakPolarHBondContact O-CB 3.35Å; A1135-A1139 PolarHBondContact O-N 3.16Å |
| 1136 | L | 56.5 | Low | 58.4 | Low | 53 Ų | 53 | 75.9 Ų | 75.9 | 28% | 0.277 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 173.7 | -69.4 | 171 | 0 | 0 | 0 | 112.6 | P847 T848 A1132 C1134 A1138 A1139 A1140 | P847-L1136 WeakPolarHBondContact O-CD1 3.2Å; P847-L1136 VanDerWaalsContact O-CD2 3.31Å; P847-L1136 WeakPolarHBondContact O-CD2 3.47Å; T848-L1136 HydrophobicContact CG2-CD2 3.57Å; A1132-L1136 VanDerWaalsContact O-CB 3.3Å; A1132-L1136 WeakPolarHBondContact O-CB 3.43Å; A1132-L1136 WeakPolarHBondContact O-CG 3.39Å; A1132-L1136 PolarHBondContact O-N 3.21Å; C1134-L1136 VanDerWaalsContact C-N 3.32Å; L1136-A1138 VanDerWaalsContact C-N 3.34Å; L1136-A1139 PolarHBondContact O-N 3.24Å; L1136-A1140 WeakPolarHBondContact O-CB 3.4Å; L1136-A1140 PolarHBondContact O-N 2.83Å |
| 1137 | A | 55.7 | Low | 60 | Low | 40 Ų | 40 | 76.5 Ų | 76.5 | 33% | 0.331 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | A1133 C1134 A1140 I1141 | A1133-A1137 WeakPolarHBondContact O-CB 3.34Å; A1133-A1137 PolarHBondContact O-N 2.95Å; C1134-A1137 PolarHBondContact O-N 2.69Å; A1137-A1140 PolarHBondContact O-N 3.32Å; A1137-I1141 VanDerWaalsContact O-CB 3.29Å; A1137-I1141 WeakPolarHBondContact O-CB 3.3Å; A1137-I1141 WeakPolarHBondContact O-CD1 3.43Å; A1137-I1141 WeakPolarHBondContact O-CG1 3.45Å; A1137-I1141 PolarHBondContact O-N 2.85Å |
| 1138 | A | 56.4 | Low | 61.6 | Low | 56 Ų | 56 | 74.7 Ų | 74.7 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1134 A1135 L1136 I1141 K1142 | C1134-A1138 VanDerWaalsContact O-CB 3.29Å; C1134-A1138 WeakPolarHBondContact O-CB 3.35Å; C1134-A1138 PolarHBondContact O-N 3.31Å; A1135-A1138 PolarHBondContact O-N 2.86Å; L1136-A1138 VanDerWaalsContact C-N 3.34Å; A1138-I1141 PolarHBondContact O-N 3.38Å; A1138-K1142 VanDerWaalsContact O-CB 3.28Å; A1138-K1142 WeakPolarHBondContact O-CB 3.44Å; A1138-K1142 PolarHBondContact O-N 3.04Å |
| 1139 | A | 57.2 | Low | 63.3 | Low | 57 Ų | 57 | 73.6 Ų | 73.6 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1135 L1136 K1142 A1143 | A1135-A1139 VanDerWaalsContact O-CB 3.29Å; A1135-A1139 WeakPolarHBondContact O-CB 3.35Å; A1135-A1139 PolarHBondContact O-N 3.16Å; L1136-A1139 PolarHBondContact O-N 3.24Å; A1139-K1142 PolarHBondContact O-N 3.08Å; A1139-A1143 VanDerWaalsContact O-CB 3.28Å; A1139-A1143 WeakPolarHBondContact O-CB 3.29Å; A1139-A1143 PolarHBondContact O-N 3.05Å |
| 1140 | A | 62.8 | Low | 64.7 | Low | 43 Ų | 43 | 75.9 Ų | 75.9 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.1 | -34.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1136 A1137 R1144 | L1136-A1140 WeakPolarHBondContact O-CB 3.4Å; L1136-A1140 PolarHBondContact O-N 2.83Å; A1137-A1140 PolarHBondContact O-N 3.32Å; A1140-R1144 VanDerWaalsContact O-CB 3.26Å; A1140-R1144 WeakPolarHBondContact O-CB 3.46Å; A1140-R1144 PolarHBondContact O-N 3.4Å |
| 1141 | I | 64 | Low | 66.4 | Low | 110 Ų | 110 | 76.5 Ų | 76.5 | 56% | 0.564 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.5 | -41.4 | 171.7 | -72.7 | 164 | 0 | 0 | 0 | 110.2 | A1137 A1138 R1144 H1145 | A1137-I1141 VanDerWaalsContact O-CB 3.29Å; A1137-I1141 WeakPolarHBondContact O-CB 3.3Å; A1137-I1141 WeakPolarHBondContact O-CD1 3.43Å; A1137-I1141 WeakPolarHBondContact O-CG1 3.45Å; A1137-I1141 PolarHBondContact O-N 2.85Å; A1138-I1141 PolarHBondContact O-N 3.38Å; I1141-R1144 PolarHBondContact O-N 3.46Å; I1141-H1145 WeakPolarHBondContact O-CB 3.24Å; I1141-H1145 PolarHBondContact O-N 3.3Å |
| 1142 | K | 59.5 | Low | 68.5 | Low | 162 Ų | 162 | 80.7 Ų | 80.7 | 70% | 0.704 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 174.8 | -170.4 | 177.6 | -179.4 | -176.6 | 0 | 111.5 | A1138 A1139 H1145 L1146 | A1138-K1142 VanDerWaalsContact O-CB 3.28Å; A1138-K1142 WeakPolarHBondContact O-CB 3.44Å; A1138-K1142 PolarHBondContact O-N 3.04Å; A1139-K1142 PolarHBondContact O-N 3.08Å; K1142-H1145 PolarHBondContact O-N 2.87Å; K1142-L1146 WeakPolarHBondContact O-CB 3.22Å; K1142-L1146 PolarHBondContact O-N 2.86Å |
| 1143 | A | 68.7 | Low | 70.1 | Confident | 56 Ų | 56 | 85.8 Ų | 85.8 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1139 H1145 L1146 A1147 | A1139-A1143 VanDerWaalsContact O-CB 3.28Å; A1139-A1143 WeakPolarHBondContact O-CB 3.29Å; A1139-A1143 PolarHBondContact O-N 3.05Å; A1143-H1145 VanDerWaalsContact C-N 3.34Å; A1143-H1145 PolarHBondContact O-N 3.15Å; A1143-L1146 PolarHBondContact O-N 2.94Å; A1143-A1147 VanDerWaalsContact O-CB 3.24Å; A1143-A1147 WeakPolarHBondContact O-CB 3.44Å; A1143-A1147 PolarHBondContact O-N 2.88Å |
| 1144 | R | 72.9 | Confident | 71.9 | Confident | 156 Ų | 156 | 87.9 Ų | 87.9 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.1 | -37.7 | 172.5 | -178.8 | 178.1 | 178.4 | 163.7 | 3.3 | 112.2 | A854 A1140 I1141 S1148 | A854-R1144 PolarHBondContact O-NH1 2.7Å; A1140-R1144 VanDerWaalsContact O-CB 3.26Å; A1140-R1144 WeakPolarHBondContact O-CB 3.46Å; A1140-R1144 PolarHBondContact O-N 3.4Å; I1141-R1144 PolarHBondContact O-N 3.46Å; R1144-S1148 WeakPolarHBondContact O-CB 2.98Å; R1144-S1148 PolarHBondContact O-N 3.3Å |
| 1145 | H | 79.6 | Confident | 73.9 | Confident | 130 Ų | 130 | 90 Ų | 90 | 60% | 0.602 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.4 | -46.3 | 174.8 | -172.2 | 86.8 | 0 | 0 | 0 | 110.9 | I1141 K1142 A1143 A1147 S1148 V1149 | I1141-H1145 WeakPolarHBondContact O-CB 3.24Å; I1141-H1145 PolarHBondContact O-N 3.3Å; K1142-H1145 PolarHBondContact O-N 2.87Å; A1143-H1145 VanDerWaalsContact C-N 3.34Å; A1143-H1145 PolarHBondContact O-N 3.15Å; H1145-A1147 PolarHBondContact O-N 2.88Å; H1145-S1148 CarbonylContact O-C 3.57Å; H1145-S1148 PolarHBondContact O-N 3.46Å; H1145-S1148 VanDerWaalsContact O-N 3.16Å; H1145-V1149 WeakPolarHBondContact O-CG2 3.48Å; H1145-V1149 PolarHBondContact O-N 3.21Å |
| 1146 | L | 79.3 | Confident | 75.6 | Confident | 116 Ų | 116 | 88.5 Ų | 88.5 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 175.4 | -175.2 | 62.5 | 0 | 0 | 0 | 111.4 | K1142 A1143 S1148 V1149 E1150 | K1142-L1146 WeakPolarHBondContact O-CB 3.22Å; K1142-L1146 PolarHBondContact O-N 2.86Å; A1143-L1146 PolarHBondContact O-N 2.94Å; L1146-S1148 VanDerWaalsContact C-N 3.33Å; L1146-S1148 PolarHBondContact O-N 3.17Å; L1146-V1149 CarbonylContact O-C 3.5Å; L1146-V1149 WeakPolarHBondContact O-CB 3.43Å; L1146-V1149 PolarHBondContact O-N 3.3Å; L1146-E1150 WeakPolarHBondContact O-CB 3.14Å; L1146-E1150 PolarHBondContact O-N 3.27Å |
| 1147 | A | 80.2 | Confident | 77.4 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1143 H1145 E1150 E1151 | A1143-A1147 VanDerWaalsContact O-CB 3.24Å; A1143-A1147 WeakPolarHBondContact O-CB 3.44Å; A1143-A1147 PolarHBondContact O-N 2.88Å; H1145-A1147 PolarHBondContact O-N 2.88Å; A1147-E1150 PolarHBondContact O-N 3.23Å; A1147-E1151 VanDerWaalsContact O-CB 3.22Å; A1147-E1151 WeakPolarHBondContact O-CB 3.26Å; A1147-E1151 PolarHBondContact O-N 3.31Å |
| 1148 | S | 79.9 | Confident | 79.2 | Confident | 39 Ų | 39 | 92 Ų | 92 | 27% | 0.273 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.5 | -28.7 | 174 | -170.5 | 0 | 0 | 0 | 0 | 113 | R1144 H1145 L1146 K1152 | R1144-S1148 WeakPolarHBondContact O-CB 2.98Å; R1144-S1148 PolarHBondContact O-N 3.3Å; H1145-S1148 CarbonylContact O-C 3.57Å; H1145-S1148 PolarHBondContact O-N 3.46Å; H1145-S1148 VanDerWaalsContact O-N 3.16Å; L1146-S1148 VanDerWaalsContact C-N 3.33Å; L1146-S1148 PolarHBondContact O-N 3.17Å; S1148-K1152 WeakPolarHBondContact O-CB 3.23Å; S1148-K1152 WeakPolarHBondContact O-CD 3.39Å; S1148-K1152 WeakPolarHBondContact O-CG 3.08Å; S1148-K1152 PolarHBondContact O-N 2.98Å |
| 1149 | V | 86.2 | Confident | 81 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 169 | 167.8 | 0 | 0 | 0 | 0 | 110.1 | H1145 L1146 K1152 R1153 | H1145-V1149 WeakPolarHBondContact O-CG2 3.48Å; H1145-V1149 PolarHBondContact O-N 3.21Å; L1146-V1149 CarbonylContact O-C 3.5Å; L1146-V1149 WeakPolarHBondContact O-CB 3.43Å; L1146-V1149 PolarHBondContact O-N 3.3Å; V1149-K1152 CarbonylContact O-C 3.54Å; V1149-K1152 WeakPolarHBondContact O-CB 3.42Å; V1149-K1152 PolarHBondContact O-N 3.48Å; V1149-R1153 WeakPolarHBondContact O-CB 3.42Å; V1149-R1153 PolarHBondContact O-N 3.43Å |
| 1150 | E | 86.9 | Confident | 82.8 | Confident | 79 Ų | 79 | 95 Ų | 95 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.8 | -39 | 177.2 | -162.2 | 55.2 | -137.8 | 0 | 0 | 111.7 | L1146 A1147 K1152 R1153 I1154 | L1146-E1150 WeakPolarHBondContact O-CB 3.14Å; L1146-E1150 PolarHBondContact O-N 3.27Å; A1147-E1150 PolarHBondContact O-N 3.23Å; E1150-K1152 VanDerWaalsContact C-N 3.28Å; E1150-K1152 PolarHBondContact O-N 3.3Å; E1150-R1153 CarbonylContact O-C 3.57Å; E1150-R1153 WeakPolarHBondContact O-CB 3.33Å; E1150-R1153 PolarHBondContact O-N 3.05Å; E1150-R1153 VanDerWaalsContact O-N 3.09Å; E1150-R1153 WeakPolarHBondContact OE1-CD 3.29Å; E1150-R1153 IonicContact OE1-NE 3.57Å; E1150-R1153 WeakPolarHBondContact OE2-CD 3.14Å; E1150-I1154 HydrophobicContact CG-CD1 4.14Å; E1150-I1154 WeakPolarHBondContact O-CB 3.38Å; E1150-I1154 VanDerWaalsContact O-CG1 3.28Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.47Å; E1150-I1154 PolarHBondContact O-N 3.16Å |
| 1151 | E | 85.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 97.5 Ų | 97.5 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 170.4 | -171.1 | -159.9 | 178.8 | 0 | 0 | 111.3 | A1147 K1155 | A1147-E1151 VanDerWaalsContact O-CB 3.22Å; A1147-E1151 WeakPolarHBondContact O-CB 3.26Å; A1147-E1151 PolarHBondContact O-N 3.31Å; E1151-K1155 HydrophobicContact CG-CD 4.25Å; E1151-K1155 VanDerWaalsContact O-CB 3.3Å; E1151-K1155 WeakPolarHBondContact O-CB 3.21Å; E1151-K1155 WeakPolarHBondContact O-CG 3.44Å; E1151-K1155 PolarHBondContact O-N 3.06Å; E1151-K1155 WeakPolarHBondContact OE1-CE 3.31Å; E1151-K1155 IonicContact OE1-NZ 3.88Å; E1151-K1155 PolarHBondContact OE1-NZ 2.91Å |
| 1152 | K | 88.9 | Confident | 85.8 | Confident | 140 Ų | 140 | 96.5 Ų | 96.5 | 61% | 0.609 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.8 | -36.8 | 173 | -75.7 | 168.6 | -175.6 | 174.6 | 0 | 112.4 | S1148 V1149 E1150 K1155 G1156 | S1148-K1152 WeakPolarHBondContact O-CB 3.23Å; S1148-K1152 WeakPolarHBondContact O-CD 3.39Å; S1148-K1152 WeakPolarHBondContact O-CG 3.08Å; S1148-K1152 PolarHBondContact O-N 2.98Å; V1149-K1152 CarbonylContact O-C 3.54Å; V1149-K1152 WeakPolarHBondContact O-CB 3.42Å; V1149-K1152 PolarHBondContact O-N 3.48Å; E1150-K1152 VanDerWaalsContact C-N 3.28Å; E1150-K1152 PolarHBondContact O-N 3.3Å; K1152-K1155 PolarHBondContact O-N 3.29Å; K1152-G1156 PolarHBondContact O-N 2.96Å |
| 1153 | R | 91.2 | Very high | 87.4 | Confident | 156 Ų | 156 | 93.6 Ų | 93.6 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -47.9 | 175.2 | -178.6 | 173.7 | 166.2 | 98.2 | -0.9 | 110.8 | V1149 E1150 G1156 L1157 | V1149-R1153 WeakPolarHBondContact O-CB 3.42Å; V1149-R1153 PolarHBondContact O-N 3.43Å; E1150-R1153 CarbonylContact O-C 3.57Å; E1150-R1153 WeakPolarHBondContact O-CB 3.33Å; E1150-R1153 PolarHBondContact O-N 3.05Å; E1150-R1153 VanDerWaalsContact O-N 3.09Å; E1150-R1153 WeakPolarHBondContact OE1-CD 3.29Å; E1150-R1153 IonicContact OE1-NE 3.57Å; E1150-R1153 WeakPolarHBondContact OE2-CD 3.14Å; R1153-G1156 PolarHBondContact O-N 3.35Å; R1153-L1157 HydrophobicContact CG-CD1 4.06Å; R1153-L1157 WeakPolarHBondContact O-CB 3.48Å; R1153-L1157 VanDerWaalsContact O-CG 3.31Å; R1153-L1157 WeakPolarHBondContact O-CG 3.34Å; R1153-L1157 PolarHBondContact O-N 3.02Å |
| 1154 | I | 92.4 | Very high | 88.7 | Confident | 91 Ų | 91 | 94.9 Ų | 94.9 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 173.2 | -67.6 | 165 | 0 | 0 | 0 | 110.3 | E1150 G1156 L1157 V1158 | E1150-I1154 HydrophobicContact CG-CD1 4.14Å; E1150-I1154 WeakPolarHBondContact O-CB 3.38Å; E1150-I1154 VanDerWaalsContact O-CG1 3.28Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.47Å; E1150-I1154 PolarHBondContact O-N 3.16Å; I1154-G1156 VanDerWaalsContact C-N 3.31Å; I1154-G1156 PolarHBondContact O-N 3.23Å; I1154-L1157 PolarHBondContact O-N 3.22Å; I1154-V1158 HydrophobicContact CG2-CG2 4.29Å; I1154-V1158 WeakPolarHBondContact O-CB 3.18Å; I1154-V1158 VanDerWaalsContact O-CG2 3.29Å; I1154-V1158 WeakPolarHBondContact O-CG2 3.42Å; I1154-V1158 PolarHBondContact O-N 3.19Å |
| 1155 | K | 91.9 | Very high | 89.7 | Confident | 125 Ų | 125 | 91.5 Ų | 91.5 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.2 | -76.8 | 168.8 | 176.4 | 175.7 | 0 | 112.5 | E1151 K1152 A1159 | E1151-K1155 HydrophobicContact CG-CD 4.25Å; E1151-K1155 VanDerWaalsContact O-CB 3.3Å; E1151-K1155 WeakPolarHBondContact O-CB 3.21Å; E1151-K1155 WeakPolarHBondContact O-CG 3.44Å; E1151-K1155 PolarHBondContact O-N 3.06Å; E1151-K1155 WeakPolarHBondContact OE1-CE 3.31Å; E1151-K1155 IonicContact OE1-NZ 3.88Å; E1151-K1155 PolarHBondContact OE1-NZ 2.91Å; K1152-K1155 PolarHBondContact O-N 3.29Å; K1155-A1159 VanDerWaalsContact O-CB 3.3Å; K1155-A1159 WeakPolarHBondContact O-CB 3.41Å; K1155-A1159 PolarHBondContact O-N 3.29Å |
| 1156 | G | 92.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 90.2 Ų | 90.2 | 32% | 0.32 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | K1152 R1153 I1154 A1159 Q1160 | K1152-G1156 PolarHBondContact O-N 2.96Å; R1153-G1156 PolarHBondContact O-N 3.35Å; I1154-G1156 VanDerWaalsContact C-N 3.31Å; I1154-G1156 PolarHBondContact O-N 3.23Å; G1156-A1159 PolarHBondContact O-N 3.34Å; G1156-Q1160 WeakPolarHBondContact O-CB 3.28Å; G1156-Q1160 VanDerWaalsContact O-CG 3.31Å; G1156-Q1160 WeakPolarHBondContact O-CG 3.41Å; G1156-Q1160 PolarHBondContact O-N 3.38Å |
| 1157 | L | 93.9 | Very high | 91.3 | Very high | 87 Ų | 87 | 89.4 Ų | 89.4 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 177.1 | -71.3 | 169.2 | 0 | 0 | 0 | 111.9 | R1153 I1154 Q1160 L1161 | R1153-L1157 HydrophobicContact CG-CD1 4.06Å; R1153-L1157 WeakPolarHBondContact O-CB 3.48Å; R1153-L1157 VanDerWaalsContact O-CG 3.31Å; R1153-L1157 WeakPolarHBondContact O-CG 3.34Å; R1153-L1157 PolarHBondContact O-N 3.02Å; I1154-L1157 PolarHBondContact O-N 3.22Å; L1157-Q1160 PolarHBondContact O-N 3.29Å; L1157-L1161 VanDerWaalsContact O-CB 3.24Å; L1157-L1161 WeakPolarHBondContact O-CB 3.29Å; L1157-L1161 PolarHBondContact O-N 2.94Å |
| 1158 | V | 94.4 | Very high | 92 | Very high | 79 Ų | 79 | 92 Ų | 92 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 111 | I1154 L1161 V1162 | I1154-V1158 HydrophobicContact CG2-CG2 4.29Å; I1154-V1158 WeakPolarHBondContact O-CB 3.18Å; I1154-V1158 VanDerWaalsContact O-CG2 3.29Å; I1154-V1158 WeakPolarHBondContact O-CG2 3.42Å; I1154-V1158 PolarHBondContact O-N 3.19Å; V1158-L1161 PolarHBondContact O-N 2.9Å; V1158-V1162 WeakPolarHBondContact O-CG2 3.33Å; V1158-V1162 PolarHBondContact O-N 3.2Å |
| 1159 | A | 93.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 95.4 Ų | 95.4 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1155 G1156 L1161 V1162 E1163 | K1155-A1159 VanDerWaalsContact O-CB 3.3Å; K1155-A1159 WeakPolarHBondContact O-CB 3.41Å; K1155-A1159 PolarHBondContact O-N 3.29Å; G1156-A1159 PolarHBondContact O-N 3.34Å; A1159-L1161 VanDerWaalsContact C-N 3.34Å; A1159-L1161 PolarHBondContact O-N 3.38Å; A1159-V1162 PolarHBondContact O-N 3.42Å; A1159-E1163 VanDerWaalsContact O-CB 3.31Å; A1159-E1163 WeakPolarHBondContact O-CB 3.45Å; A1159-E1163 PolarHBondContact O-N 2.84Å |
| 1160 | Q | 94.1 | Very high | 93.3 | Very high | 115 Ų | 115 | 96.1 Ų | 96.1 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 175 | -73.8 | 174.2 | -1.6 | 0 | 0 | 112.4 | G1156 L1157 T1164 | G1156-Q1160 WeakPolarHBondContact O-CB 3.28Å; G1156-Q1160 VanDerWaalsContact O-CG 3.31Å; G1156-Q1160 WeakPolarHBondContact O-CG 3.41Å; G1156-Q1160 PolarHBondContact O-N 3.38Å; L1157-Q1160 PolarHBondContact O-N 3.29Å; Q1160-T1164 VanDerWaalsContact O-CB 3.23Å; Q1160-T1164 WeakPolarHBondContact O-CB 3.45Å; Q1160-T1164 PolarHBondContact O-N 2.78Å; Q1160-T1164 PolarHBondContact O-OG1 3.24Å |
| 1161 | L | 94.3 | Very high | 93.7 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 175.3 | -179.8 | 64.2 | 0 | 0 | 0 | 110.8 | L1157 V1158 A1159 T1164 Q1165 | L1157-L1161 VanDerWaalsContact O-CB 3.24Å; L1157-L1161 WeakPolarHBondContact O-CB 3.29Å; L1157-L1161 PolarHBondContact O-N 2.94Å; V1158-L1161 PolarHBondContact O-N 2.9Å; A1159-L1161 VanDerWaalsContact C-N 3.34Å; A1159-L1161 PolarHBondContact O-N 3.38Å; L1161-T1164 PolarHBondContact O-N 2.68Å; L1161-Q1165 WeakPolarHBondContact O-CG 3.21Å; L1161-Q1165 PolarHBondContact O-N 3.21Å |
| 1162 | V | 95.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 98.1 Ų | 98.1 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | V1158 A1159 T1164 Q1165 L1166 | V1158-V1162 WeakPolarHBondContact O-CG2 3.33Å; V1158-V1162 PolarHBondContact O-N 3.2Å; A1159-V1162 PolarHBondContact O-N 3.42Å; V1162-T1164 VanDerWaalsContact C-N 3.28Å; V1162-T1164 PolarHBondContact O-N 3.1Å; V1162-Q1165 PolarHBondContact O-N 3.25Å; V1162-L1166 WeakPolarHBondContact O-CB 3.24Å; V1162-L1166 PolarHBondContact O-N 3.06Å |
| 1163 | E | 93.8 | Very high | 94.5 | Very high | 100 Ų | 100 | 96.1 Ų | 96.1 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -38.6 | 175.4 | -168.3 | -169.2 | 177 | 0 | 0 | 111.8 | A1159 L1166 K1167 | A1159-E1163 VanDerWaalsContact O-CB 3.31Å; A1159-E1163 WeakPolarHBondContact O-CB 3.45Å; A1159-E1163 PolarHBondContact O-N 2.84Å; E1163-L1166 PolarHBondContact O-N 2.88Å; E1163-K1167 HydrophobicContact CG-CD 4.34Å; E1163-K1167 WeakPolarHBondContact O-CB 3.45Å; E1163-K1167 VanDerWaalsContact O-CG 3.31Å; E1163-K1167 WeakPolarHBondContact O-CG 3.22Å; E1163-K1167 PolarHBondContact O-N 3.39Å; E1163-K1167 WeakPolarHBondContact OE1-CE 3.38Å; E1163-K1167 IonicContact OE1-NZ 2.68Å; E1163-K1167 PolarHBondContact OE1-NZ 2.77Å; E1163-K1167 IonicContact OE2-NZ 3.62Å |
| 1164 | T | 94.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 95.1 Ų | 95.1 | 52% | 0.515 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 177.5 | -60 | 0 | 0 | 0 | 0 | 112.1 | Q1160 L1161 V1162 K1168 | Q1160-T1164 VanDerWaalsContact O-CB 3.23Å; Q1160-T1164 WeakPolarHBondContact O-CB 3.45Å; Q1160-T1164 PolarHBondContact O-N 2.78Å; Q1160-T1164 PolarHBondContact O-OG1 3.24Å; L1161-T1164 PolarHBondContact O-N 2.68Å; V1162-T1164 VanDerWaalsContact C-N 3.28Å; V1162-T1164 PolarHBondContact O-N 3.1Å; T1164-K1168 VanDerWaalsContact O-CB 3.26Å; T1164-K1168 WeakPolarHBondContact O-CB 3.46Å; T1164-K1168 PolarHBondContact O-N 3.43Å |
| 1165 | Q | 95.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 96.3 Ų | 96.3 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 173.1 | -60.6 | -61.7 | -10 | 0 | 0 | 111.3 | L1161 V1162 K1168 L1169 | L1161-Q1165 WeakPolarHBondContact O-CG 3.21Å; L1161-Q1165 PolarHBondContact O-N 3.21Å; V1162-Q1165 PolarHBondContact O-N 3.25Å; Q1165-K1168 WeakPolarHBondContact O-CB 3.45Å; Q1165-K1168 PolarHBondContact O-N 3.35Å; Q1165-L1169 WeakPolarHBondContact O-CG 3.37Å; Q1165-L1169 PolarHBondContact O-N 2.85Å |
| 1166 | L | 96.5 | Very high | 95 | Very high | 102 Ų | 102 | 95.6 Ų | 95.6 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 174.8 | -135 | 75.1 | 0 | 0 | 0 | 111 | V1162 E1163 K1168 L1169 D1170 | V1162-L1166 WeakPolarHBondContact O-CB 3.24Å; V1162-L1166 PolarHBondContact O-N 3.06Å; E1163-L1166 PolarHBondContact O-N 2.88Å; L1166-K1168 VanDerWaalsContact C-N 3.26Å; L1166-K1168 PolarHBondContact O-N 3.12Å; L1166-L1169 WeakPolarHBondContact O-CA 3.42Å; L1166-L1169 WeakPolarHBondContact O-CB 3.49Å; L1166-L1169 PolarHBondContact O-N 3.23Å; L1166-D1170 PolarHBondContact O-N 2.9Å |
| 1167 | K | 96.5 | Very high | 95.2 | Very high | 100 Ų | 100 | 99 Ų | 99 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -36.7 | 174.7 | -73.3 | 169.2 | -176.8 | 168.5 | 0 | 112.6 | E1163 L1169 D1170 I1171 | E1163-K1167 HydrophobicContact CG-CD 4.34Å; E1163-K1167 WeakPolarHBondContact O-CB 3.45Å; E1163-K1167 VanDerWaalsContact O-CG 3.31Å; E1163-K1167 WeakPolarHBondContact O-CG 3.22Å; E1163-K1167 PolarHBondContact O-N 3.39Å; E1163-K1167 WeakPolarHBondContact OE1-CE 3.38Å; E1163-K1167 IonicContact OE1-NZ 2.68Å; E1163-K1167 PolarHBondContact OE1-NZ 2.77Å; E1163-K1167 IonicContact OE2-NZ 3.62Å; K1167-L1169 VanDerWaalsContact C-N 3.35Å; K1167-D1170 PolarHBondContact O-N 2.57Å; K1167-I1171 WeakPolarHBondContact O-CB 3.42Å; K1167-I1171 WeakPolarHBondContact O-CD1 3.33Å; K1167-I1171 WeakPolarHBondContact O-CG1 3.45Å; K1167-I1171 PolarHBondContact O-N 3.31Å |
| 1168 | K | 94.1 | Very high | 95.2 | Very high | 113 Ų | 113 | 101 Ų | 101 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 175.3 | -178.7 | -176.5 | 176.9 | -174.8 | 0 | 112.3 | T1164 Q1165 L1166 K1172 | T1164-K1168 VanDerWaalsContact O-CB 3.26Å; T1164-K1168 WeakPolarHBondContact O-CB 3.46Å; T1164-K1168 PolarHBondContact O-N 3.43Å; Q1165-K1168 WeakPolarHBondContact O-CB 3.45Å; Q1165-K1168 PolarHBondContact O-N 3.35Å; L1166-K1168 VanDerWaalsContact C-N 3.26Å; L1166-K1168 PolarHBondContact O-N 3.12Å; K1168-K1172 WeakPolarHBondContact O-CG 3.42Å; K1168-K1172 PolarHBondContact O-N 3.44Å |
| 1169 | L | 96.8 | Very high | 95.3 | Very high | 112 Ų | 112 | 102.9 Ų | 102.9 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.3 | -45.6 | 171.9 | -68.5 | 169.2 | 0 | 0 | 0 | 111.3 | Q1165 L1166 K1167 I1171 K1172 L1173 | Q1165-L1169 WeakPolarHBondContact O-CG 3.37Å; Q1165-L1169 PolarHBondContact O-N 2.85Å; L1166-L1169 WeakPolarHBondContact O-CA 3.42Å; L1166-L1169 WeakPolarHBondContact O-CB 3.49Å; L1166-L1169 PolarHBondContact O-N 3.23Å; K1167-L1169 VanDerWaalsContact C-N 3.35Å; L1169-I1171 VanDerWaalsContact C-N 3.35Å; L1169-I1171 PolarHBondContact O-N 3.12Å; L1169-K1172 PolarHBondContact O-N 3.44Å; L1169-L1173 PolarHBondContact O-N 3.02Å |
| 1170 | D | 95.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 104.8 Ų | 104.8 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 177.4 | -71.3 | -25.2 | 0 | 0 | 0 | 112.8 | L1166 K1167 L1173 K1174 | L1166-D1170 PolarHBondContact O-N 2.9Å; K1167-D1170 PolarHBondContact O-N 2.57Å; D1170-L1173 PolarHBondContact O-N 3.03Å; D1170-K1174 WeakPolarHBondContact O-CG 3.34Å; D1170-K1174 PolarHBondContact O-N 3.4Å |
| 1171 | I | 95.3 | Very high | 95.5 | Very high | 95 Ų | 95 | 101.4 Ų | 101.4 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 177 | -71.1 | 165.8 | 0 | 0 | 0 | 110.3 | K1167 L1169 L1173 K1174 Q1175 | K1167-I1171 WeakPolarHBondContact O-CB 3.42Å; K1167-I1171 WeakPolarHBondContact O-CD1 3.33Å; K1167-I1171 WeakPolarHBondContact O-CG1 3.45Å; K1167-I1171 PolarHBondContact O-N 3.31Å; L1169-I1171 VanDerWaalsContact C-N 3.35Å; L1169-I1171 PolarHBondContact O-N 3.12Å; I1171-L1173 PolarHBondContact O-N 3.41Å; I1171-K1174 PolarHBondContact O-N 3.47Å; I1171-Q1175 HydrophobicContact CG2-CG 4.45Å; I1171-Q1175 WeakPolarHBondContact O-CB 3.38Å; I1171-Q1175 VanDerWaalsContact O-CG 3.3Å; I1171-Q1175 WeakPolarHBondContact O-CG 3.37Å; I1171-Q1175 PolarHBondContact O-N 2.88Å |
| 1172 | K | 95.9 | Very high | 95.5 | Very high | 119 Ų | 119 | 100.4 Ų | 100.4 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.3 | -80.4 | -175.3 | 169.5 | -158.9 | 0 | 112.1 | K1168 L1169 Q1175 I1176 | K1168-K1172 WeakPolarHBondContact O-CG 3.42Å; K1168-K1172 PolarHBondContact O-N 3.44Å; L1169-K1172 PolarHBondContact O-N 3.44Å; K1172-Q1175 PolarHBondContact O-N 2.73Å; K1172-I1176 VanDerWaalsContact O-CG1 3.3Å; K1172-I1176 WeakPolarHBondContact O-CG1 3.23Å; K1172-I1176 PolarHBondContact O-N 2.96Å |
| 1173 | L | 96.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.4 | -164.5 | 83.7 | 0 | 0 | 0 | 111 | L1169 D1170 I1171 I1176 Q1177 | L1169-L1173 PolarHBondContact O-N 3.02Å; D1170-L1173 PolarHBondContact O-N 3.03Å; I1171-L1173 PolarHBondContact O-N 3.41Å; L1173-I1176 PolarHBondContact O-N 3.11Å; L1173-Q1177 WeakPolarHBondContact O-CG 3.38Å; L1173-Q1177 PolarHBondContact O-N 3.27Å |
| 1174 | K | 95.7 | Very high | 95.4 | Very high | 135 Ų | 135 | 102.5 Ų | 102.5 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 177.1 | -74.1 | 170.9 | -179.3 | 171.9 | 0 | 112.9 | D1170 I1171 I1176 Q1177 E1178 | D1170-K1174 WeakPolarHBondContact O-CG 3.34Å; D1170-K1174 PolarHBondContact O-N 3.4Å; I1171-K1174 PolarHBondContact O-N 3.47Å; K1174-I1176 VanDerWaalsContact C-N 3.31Å; K1174-I1176 PolarHBondContact O-N 2.82Å; K1174-Q1177 PolarHBondContact O-N 3.2Å; K1174-E1178 WeakPolarHBondContact O-CB 3.37Å; K1174-E1178 PolarHBondContact O-N 3.13Å |
| 1175 | Q | 94 | Very high | 95.4 | Very high | 116 Ų | 116 | 104.6 Ų | 104.6 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 175.7 | -75.5 | 173.8 | -26.1 | 0 | 0 | 112.3 | I1171 K1172 L1179 | I1171-Q1175 HydrophobicContact CG2-CG 4.45Å; I1171-Q1175 WeakPolarHBondContact O-CB 3.38Å; I1171-Q1175 VanDerWaalsContact O-CG 3.3Å; I1171-Q1175 WeakPolarHBondContact O-CG 3.37Å; I1171-Q1175 PolarHBondContact O-N 2.88Å; K1172-Q1175 PolarHBondContact O-N 2.73Å; Q1175-L1179 VanDerWaalsContact O-CB 3.32Å; Q1175-L1179 WeakPolarHBondContact O-CB 3.49Å; Q1175-L1179 PolarHBondContact O-N 2.89Å; Q1175-L1179 VanDerWaalsContact O-N 3.07Å |
| 1176 | I | 96 | Very high | 95.4 | Very high | 109 Ų | 109 | 105 Ų | 105 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -46.3 | 173.9 | -68.1 | 163.6 | 0 | 0 | 0 | 110.4 | K1172 L1173 K1174 E1178 L1179 E1180 | K1172-I1176 VanDerWaalsContact O-CG1 3.3Å; K1172-I1176 WeakPolarHBondContact O-CG1 3.23Å; K1172-I1176 PolarHBondContact O-N 2.96Å; L1173-I1176 PolarHBondContact O-N 3.11Å; K1174-I1176 VanDerWaalsContact C-N 3.31Å; K1174-I1176 PolarHBondContact O-N 2.82Å; I1176-E1178 PolarHBondContact O-N 3.12Å; I1176-L1179 PolarHBondContact O-N 3.39Å; I1176-E1180 VanDerWaalsContact O-CB 3.31Å; I1176-E1180 WeakPolarHBondContact O-CB 3.14Å; I1176-E1180 PolarHBondContact O-N 3.04Å |
| 1177 | Q | 95.8 | Very high | 95.4 | Very high | 104 Ų | 104 | 107.7 Ų | 107.7 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 177.6 | -71.5 | 172.3 | -25.4 | 0 | 0 | 113.3 | L1173 K1174 S1181 | L1173-Q1177 WeakPolarHBondContact O-CG 3.38Å; L1173-Q1177 PolarHBondContact O-N 3.27Å; K1174-Q1177 PolarHBondContact O-N 3.2Å; Q1177-S1181 WeakPolarHBondContact O-CB 3.05Å; Q1177-S1181 PolarHBondContact O-N 3.47Å |
| 1178 | E | 95.6 | Very high | 95.3 | Very high | 128 Ų | 128 | 108.6 Ų | 108.6 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -43.8 | 174.6 | -176 | 172.4 | -167.5 | 0 | 0 | 111 | K1174 I1176 S1181 I1182 | K1174-E1178 WeakPolarHBondContact O-CB 3.37Å; K1174-E1178 PolarHBondContact O-N 3.13Å; I1176-E1178 PolarHBondContact O-N 3.12Å; E1178-S1181 PolarHBondContact O-N 2.95Å; E1178-I1182 HydrophobicContact CG-CD1 4.09Å; E1178-I1182 WeakPolarHBondContact O-CD1 3.33Å; E1178-I1182 VanDerWaalsContact O-CG1 3.25Å; E1178-I1182 WeakPolarHBondContact O-CG1 3.44Å; E1178-I1182 PolarHBondContact O-N 3.18Å |
| 1179 | L | 96.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 176.2 | -175.7 | 63 | 0 | 0 | 0 | 112.3 | Q1175 I1176 I1182 M1183 | Q1175-L1179 VanDerWaalsContact O-CB 3.32Å; Q1175-L1179 WeakPolarHBondContact O-CB 3.49Å; Q1175-L1179 PolarHBondContact O-N 2.89Å; Q1175-L1179 VanDerWaalsContact O-N 3.07Å; I1176-L1179 PolarHBondContact O-N 3.39Å; L1179-I1182 PolarHBondContact O-N 3.33Å; L1179-M1183 WeakPolarHBondContact O-CB 3.5Å; L1179-M1183 PolarHBondContact O-N 3.46Å |
| 1180 | E | 95.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -50.5 | 173.8 | -175 | 168.1 | -138 | 0 | 0 | 110.6 | I1176 I1182 M1183 E1184 | I1176-E1180 VanDerWaalsContact O-CB 3.31Å; I1176-E1180 WeakPolarHBondContact O-CB 3.14Å; I1176-E1180 PolarHBondContact O-N 3.04Å; E1180-I1182 VanDerWaalsContact C-N 3.28Å; E1180-I1182 PolarHBondContact O-N 3.02Å; E1180-M1183 WeakPolarHBondContact O-CB 3.34Å; E1180-M1183 PolarHBondContact O-N 3.24Å; E1180-M1183 VanDerWaalsContact O-N 3.08Å; E1180-E1184 WeakPolarHBondContact O-CG 3.48Å; E1180-E1184 PolarHBondContact O-N 3.07Å |
| 1181 | S | 95.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 105.4 Ų | 105.4 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -27.5 | 176.9 | -169.7 | 0 | 0 | 0 | 0 | 113.7 | Q1177 E1178 R1185 | Q1177-S1181 WeakPolarHBondContact O-CB 3.05Å; Q1177-S1181 PolarHBondContact O-N 3.47Å; E1178-S1181 PolarHBondContact O-N 2.95Å; S1181-R1185 WeakPolarHBondContact O-CB 3.47Å; S1181-R1185 VanDerWaalsContact O-CZ 3.28Å; S1181-R1185 PolarHBondContact O-N 2.93Å; S1181-R1185 PolarHBondContact O-NH1 2.96Å; S1181-R1185 PolarHBondContact O-NH2 2.74Å; S1181-R1185 PolarHBondContact OG-NH2 3.31Å |
| 1182 | I | 95.7 | Very high | 95.2 | Very high | 76 Ų | 76 | 106.8 Ų | 106.8 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.2 | -46.2 | 170.4 | -70.7 | 164.6 | 0 | 0 | 0 | 110.2 | E1178 L1179 E1180 E1184 R1185 E1186 | E1178-I1182 HydrophobicContact CG-CD1 4.09Å; E1178-I1182 WeakPolarHBondContact O-CD1 3.33Å; E1178-I1182 VanDerWaalsContact O-CG1 3.25Å; E1178-I1182 WeakPolarHBondContact O-CG1 3.44Å; E1178-I1182 PolarHBondContact O-N 3.18Å; L1179-I1182 PolarHBondContact O-N 3.33Å; E1180-I1182 VanDerWaalsContact C-N 3.28Å; E1180-I1182 PolarHBondContact O-N 3.02Å; I1182-E1184 PolarHBondContact O-N 2.85Å; I1182-R1185 PolarHBondContact O-N 3.08Å; I1182-E1186 HydrophobicContact CG2-CG 4.36Å; I1182-E1186 WeakPolarHBondContact O-CG 3.41Å; I1182-E1186 PolarHBondContact O-N 2.85Å |
| 1183 | M | 92 | Very high | 95.1 | Very high | 123 Ų | 123 | 107 Ų | 107 | 61% | 0.606 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 177.5 | -178.8 | -176 | 68.6 | 0 | 0 | 112.4 | L1179 E1180 Y1187 | L1179-M1183 WeakPolarHBondContact O-CB 3.5Å; L1179-M1183 PolarHBondContact O-N 3.46Å; E1180-M1183 WeakPolarHBondContact O-CB 3.34Å; E1180-M1183 PolarHBondContact O-N 3.24Å; E1180-M1183 VanDerWaalsContact O-N 3.08Å; M1183-Y1187 VanDerWaalsContact O-CB 3.29Å; M1183-Y1187 WeakPolarHBondContact O-CB 3.39Å; M1183-Y1187 PolarHBondContact O-N 3.36Å |
| 1184 | E | 94.9 | Very high | 95 | Very high | 110 Ų | 110 | 109.8 Ų | 109.8 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 174.3 | -71.9 | 178.5 | 141.7 | 0 | 0 | 111.6 | E1180 I1182 Y1187 E1188 | E1180-E1184 WeakPolarHBondContact O-CG 3.48Å; E1180-E1184 PolarHBondContact O-N 3.07Å; I1182-E1184 PolarHBondContact O-N 2.85Å; E1184-Y1187 WeakPolarHBondContact O-CB 3.39Å; E1184-Y1187 PolarHBondContact O-N 3.18Å; E1184-E1188 WeakPolarHBondContact O-CG 3.31Å; E1184-E1188 PolarHBondContact O-N 3.2Å |
| 1185 | R | 94.7 | Very high | 95 | Very high | 129 Ų | 129 | 108.7 Ų | 108.7 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.6 | -38.4 | -178.6 | -171 | -179.3 | -57.5 | 90.4 | 15.6 | 112.9 | S1181 I1182 M1189 | S1181-R1185 WeakPolarHBondContact O-CB 3.47Å; S1181-R1185 VanDerWaalsContact O-CZ 3.28Å; S1181-R1185 PolarHBondContact O-N 2.93Å; S1181-R1185 PolarHBondContact O-NH1 2.96Å; S1181-R1185 PolarHBondContact O-NH2 2.74Å; S1181-R1185 PolarHBondContact OG-NH2 3.31Å; I1182-R1185 PolarHBondContact O-N 3.08Å; R1185-M1189 VanDerWaalsContact O-CB 3.31Å; R1185-M1189 WeakPolarHBondContact O-CB 3.32Å; R1185-M1189 PolarHBondContact O-N 3.35Å |
| 1186 | E | 94.8 | Very high | 95.1 | Very high | 92 Ų | 92 | 108.4 Ų | 108.4 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 171.2 | -71.9 | -65 | 139.4 | 0 | 0 | 110.7 | I1182 M1189 I1190 | I1182-E1186 HydrophobicContact CG2-CG 4.36Å; I1182-E1186 WeakPolarHBondContact O-CG 3.41Å; I1182-E1186 PolarHBondContact O-N 2.85Å; E1186-M1189 PolarHBondContact O-N 3.05Å; E1186-M1189 WeakPolarHBondContact OE1-CE 3.47Å; E1186-M1189 WeakPolarHBondContact OE2-CE 3.46Å; E1186-I1190 WeakPolarHBondContact O-CB 3.16Å; E1186-I1190 WeakPolarHBondContact O-CD1 3.43Å; E1186-I1190 WeakPolarHBondContact O-CG1 3.16Å; E1186-I1190 PolarHBondContact O-N 3.13Å |
| 1187 | Y | 96.1 | Very high | 95 | Very high | 160 Ų | 160 | 108.8 Ų | 108.8 | 63% | 0.627 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -47.7 | 174.4 | 176.3 | -95.9 | 0 | 0 | 0 | 112.2 | M1183 E1184 M1189 I1190 E1191 | M1183-Y1187 VanDerWaalsContact O-CB 3.29Å; M1183-Y1187 WeakPolarHBondContact O-CB 3.39Å; M1183-Y1187 PolarHBondContact O-N 3.36Å; E1184-Y1187 WeakPolarHBondContact O-CB 3.39Å; E1184-Y1187 PolarHBondContact O-N 3.18Å; Y1187-M1189 PolarHBondContact O-N 3.36Å; Y1187-I1190 PolarHBondContact O-N 2.82Å; Y1187-E1191 WeakPolarHBondContact O-CB 3.41Å; Y1187-E1191 PolarHBondContact O-N 3.22Å |
| 1188 | E | 94.6 | Very high | 95 | Very high | 118 Ų | 118 | 108.3 Ų | 108.3 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.6 | -44.6 | 173.9 | -76.2 | -171.8 | 166.9 | 0 | 0 | 111.9 | E1184 E1191 Q1192 | E1184-E1188 WeakPolarHBondContact O-CG 3.31Å; E1184-E1188 PolarHBondContact O-N 3.2Å; E1188-E1191 PolarHBondContact O-N 3.23Å; E1188-Q1192 WeakPolarHBondContact O-CB 3.16Å; E1188-Q1192 VanDerWaalsContact O-CG 3.23Å; E1188-Q1192 WeakPolarHBondContact O-CG 3.37Å; E1188-Q1192 PolarHBondContact O-N 2.94Å |
| 1189 | M | 94.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 108.7 Ų | 108.7 | 50% | 0.498 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 178.6 | -178.8 | 174.2 | 60.3 | 0 | 0 | 112.1 | R1185 E1186 Y1187 M1193 | R1185-M1189 VanDerWaalsContact O-CB 3.31Å; R1185-M1189 WeakPolarHBondContact O-CB 3.32Å; R1185-M1189 PolarHBondContact O-N 3.35Å; E1186-M1189 PolarHBondContact O-N 3.05Å; E1186-M1189 WeakPolarHBondContact OE1-CE 3.47Å; E1186-M1189 WeakPolarHBondContact OE2-CE 3.46Å; Y1187-M1189 PolarHBondContact O-N 3.36Å; M1189-M1193 WeakPolarHBondContact O-CB 3.43Å; M1189-M1193 PolarHBondContact O-N 2.83Å |
| 1190 | I | 95.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 107.8 Ų | 107.8 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.7 | -71.9 | 165.1 | 0 | 0 | 0 | 110.6 | E1186 Y1187 M1193 R1194 | E1186-I1190 WeakPolarHBondContact O-CB 3.16Å; E1186-I1190 WeakPolarHBondContact O-CD1 3.43Å; E1186-I1190 WeakPolarHBondContact O-CG1 3.16Å; E1186-I1190 PolarHBondContact O-N 3.13Å; Y1187-I1190 PolarHBondContact O-N 2.82Å; I1190-M1193 PolarHBondContact O-N 3.06Å; I1190-R1194 VanDerWaalsContact O-CB 3.24Å; I1190-R1194 WeakPolarHBondContact O-CB 3.2Å; I1190-R1194 PolarHBondContact O-N 3.29Å |
| 1191 | E | 94.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 112 Ų | 112 | 21% | 0.21 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -69.6 | -38.9 | 177.8 | -178.9 | 54.2 | -157.3 | 0 | 0 | 111.9 | Y1187 E1188 R1194 Q1195 | Y1187-E1191 WeakPolarHBondContact O-CB 3.41Å; Y1187-E1191 PolarHBondContact O-N 3.22Å; E1188-E1191 PolarHBondContact O-N 3.23Å; E1191-R1194 PolarHBondContact O-N 3.08Å; E1191-R1194 IonicContact OE1-NH1 3.66Å; E1191-R1194 PolarHBondContact OE1-NH1 3.26Å; E1191-R1194 WeakPolarHBondContact OE2-CD 3.24Å; E1191-R1194 IonicContact OE2-CZ 2.68Å; E1191-R1194 IonicContact OE2-NE 3.55Å; E1191-R1194 IonicContact OE2-NH1 3.14Å; E1191-R1194 PolarHBondContact OE2-NH1 3.21Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.44Å; E1191-Q1195 VanDerWaalsContact O-CG 3.3Å; E1191-Q1195 WeakPolarHBondContact O-CG 3.45Å; E1191-Q1195 PolarHBondContact O-N 3.23Å; E1191-Q1195 PolarHBondContact OE1-NE2 2.68Å |
| 1192 | Q | 94.8 | Very high | 94.7 | Very high | 125 Ų | 125 | 115.4 Ų | 115.4 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 170.7 | -74.6 | 174.5 | 39.1 | 0 | 0 | 111.6 | E1188 R1194 Q1195 Q1196 | E1188-Q1192 WeakPolarHBondContact O-CB 3.16Å; E1188-Q1192 VanDerWaalsContact O-CG 3.23Å; E1188-Q1192 WeakPolarHBondContact O-CG 3.37Å; E1188-Q1192 PolarHBondContact O-N 2.94Å; Q1192-R1194 VanDerWaalsContact C-N 3.31Å; Q1192-R1194 PolarHBondContact O-N 2.96Å; Q1192-Q1195 PolarHBondContact O-N 3.44Å; Q1192-Q1196 WeakPolarHBondContact O-CB 3.42Å; Q1192-Q1196 PolarHBondContact O-N 3.11Å |
| 1193 | M | 93.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 114.7 Ų | 114.7 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -36.8 | 176.3 | -174.9 | 177.8 | 63 | 0 | 0 | 111.9 | M1189 I1190 L1197 | M1189-M1193 WeakPolarHBondContact O-CB 3.43Å; M1189-M1193 PolarHBondContact O-N 2.83Å; I1190-M1193 PolarHBondContact O-N 3.06Å; M1193-L1197 VanDerWaalsContact O-CB 3.3Å; M1193-L1197 WeakPolarHBondContact O-CB 3.32Å; M1193-L1197 PolarHBondContact O-N 3.34Å |
| 1194 | R | 95.5 | Very high | 94.7 | Very high | 157 Ų | 157 | 115.9 Ų | 115.9 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66 | -40.9 | 174.2 | 174 | 172.1 | 170.3 | -91.9 | 0.2 | 112 | I1190 E1191 Q1192 L1198 | I1190-R1194 VanDerWaalsContact O-CB 3.24Å; I1190-R1194 WeakPolarHBondContact O-CB 3.2Å; I1190-R1194 PolarHBondContact O-N 3.29Å; E1191-R1194 PolarHBondContact O-N 3.08Å; E1191-R1194 IonicContact OE1-NH1 3.66Å; E1191-R1194 PolarHBondContact OE1-NH1 3.26Å; E1191-R1194 WeakPolarHBondContact OE2-CD 3.24Å; E1191-R1194 IonicContact OE2-CZ 2.68Å; E1191-R1194 IonicContact OE2-NE 3.55Å; E1191-R1194 IonicContact OE2-NH1 3.14Å; E1191-R1194 PolarHBondContact OE2-NH1 3.21Å; Q1192-R1194 VanDerWaalsContact C-N 3.31Å; Q1192-R1194 PolarHBondContact O-N 2.96Å; R1194-L1198 WeakPolarHBondContact O-CB 3.48Å; R1194-L1198 PolarHBondContact O-N 3.38Å |
| 1195 | Q | 95.4 | Very high | 94.7 | Very high | 111 Ų | 111 | 116 Ų | 116 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 174.9 | -72.1 | 177 | 25.2 | 0 | 0 | 111.8 | E1191 Q1192 L1198 Q1199 | E1191-Q1195 WeakPolarHBondContact O-CB 3.44Å; E1191-Q1195 VanDerWaalsContact O-CG 3.3Å; E1191-Q1195 WeakPolarHBondContact O-CG 3.45Å; E1191-Q1195 PolarHBondContact O-N 3.23Å; E1191-Q1195 PolarHBondContact OE1-NE2 2.68Å; Q1192-Q1195 PolarHBondContact O-N 3.44Å; Q1195-L1198 PolarHBondContact O-N 3.07Å; Q1195-Q1199 WeakPolarHBondContact O-CB 3.41Å; Q1195-Q1199 PolarHBondContact O-N 3Å |
| 1196 | Q | 94.8 | Very high | 94.5 | Very high | 110 Ų | 110 | 115.2 Ų | 115.2 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 173 | -179.3 | 174.1 | -17.3 | 0 | 0 | 111.2 | Q1192 L1198 Q1199 E1200 | Q1192-Q1196 WeakPolarHBondContact O-CB 3.42Å; Q1192-Q1196 PolarHBondContact O-N 3.11Å; Q1196-L1198 VanDerWaalsContact C-N 3.27Å; Q1196-L1198 PolarHBondContact O-N 2.94Å; Q1196-Q1199 PolarHBondContact O-N 3.39Å; Q1196-Q1199 VanDerWaalsContact O-N 3.1Å; Q1196-E1200 HydrophobicContact CG-CG 4.29Å; Q1196-E1200 WeakPolarHBondContact CG-OE1 3.37Å; Q1196-E1200 PolarHBondContact NE2-OE1 3.07Å; Q1196-E1200 WeakPolarHBondContact O-CB 3.47Å; Q1196-E1200 WeakPolarHBondContact O-CG 3.36Å; Q1196-E1200 PolarHBondContact O-N 3.15Å |
| 1197 | L | 94.9 | Very high | 94.5 | Very high | 117 Ų | 117 | 115 Ų | 115 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.4 | -37.2 | 176.7 | -178.7 | 63.8 | 0 | 0 | 0 | 112 | M1193 R1201 | M1193-L1197 VanDerWaalsContact O-CB 3.3Å; M1193-L1197 WeakPolarHBondContact O-CB 3.32Å; M1193-L1197 PolarHBondContact O-N 3.34Å; L1197-R1201 WeakPolarHBondContact O-CB 3.36Å; L1197-R1201 PolarHBondContact O-N 3.5Å |
| 1198 | L | 94.8 | Very high | 94.3 | Very high | 94 Ų | 94 | 109.5 Ų | 109.5 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 173.7 | -177.3 | 62.7 | 0 | 0 | 0 | 111.7 | R1194 Q1195 Q1196 R1201 Q1202 | R1194-L1198 WeakPolarHBondContact O-CB 3.48Å; R1194-L1198 PolarHBondContact O-N 3.38Å; Q1195-L1198 PolarHBondContact O-N 3.07Å; Q1196-L1198 VanDerWaalsContact C-N 3.27Å; Q1196-L1198 PolarHBondContact O-N 2.94Å; L1198-R1201 PolarHBondContact O-N 2.93Å; L1198-Q1202 WeakPolarHBondContact O-CB 3.48Å; L1198-Q1202 VanDerWaalsContact O-CG 3.32Å; L1198-Q1202 WeakPolarHBondContact O-CG 3.45Å; L1198-Q1202 PolarHBondContact O-N 2.85Å |
| 1199 | Q | 94.6 | Very high | 94.1 | Very high | 137 Ų | 137 | 106.7 Ų | 106.7 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -44.4 | 178.3 | -170.2 | 178.6 | 22.5 | 0 | 0 | 111.8 | Q1195 Q1196 R1201 Q1202 A1203 | Q1195-Q1199 WeakPolarHBondContact O-CB 3.41Å; Q1195-Q1199 PolarHBondContact O-N 3Å; Q1196-Q1199 PolarHBondContact O-N 3.39Å; Q1196-Q1199 VanDerWaalsContact O-N 3.1Å; Q1199-R1201 VanDerWaalsContact C-N 3.33Å; Q1199-R1201 PolarHBondContact O-N 3.38Å; Q1199-Q1202 PolarHBondContact O-N 3.05Å; Q1199-A1203 WeakPolarHBondContact O-CB 3.46Å; Q1199-A1203 PolarHBondContact O-N 3.46Å |
| 1200 | E | 94.2 | Very high | 94.1 | Very high | 99 Ų | 99 | 106.6 Ų | 106.6 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 173.7 | -74 | -179.8 | -168.7 | 0 | 0 | 111.1 | Q1196 A1203 F1204 | Q1196-E1200 HydrophobicContact CG-CG 4.29Å; Q1196-E1200 WeakPolarHBondContact CG-OE1 3.37Å; Q1196-E1200 PolarHBondContact NE2-OE1 3.07Å; Q1196-E1200 WeakPolarHBondContact O-CB 3.47Å; Q1196-E1200 WeakPolarHBondContact O-CG 3.36Å; Q1196-E1200 PolarHBondContact O-N 3.15Å; E1200-A1203 PolarHBondContact O-N 3.22Å; E1200-F1204 VanDerWaalsContact O-CB 3.23Å; E1200-F1204 WeakPolarHBondContact O-CB 3.26Å; E1200-F1204 PolarHBondContact O-N 3.01Å |
| 1201 | R | 94.2 | Very high | 93.8 | Very high | 187 Ų | 187 | 105.8 Ų | 105.8 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -39.3 | 175.3 | -170.2 | 178.6 | -174.1 | -163.3 | 2.2 | 112.5 | L1197 L1198 Q1199 H1205 | L1197-R1201 WeakPolarHBondContact O-CB 3.36Å; L1197-R1201 PolarHBondContact O-N 3.5Å; L1198-R1201 PolarHBondContact O-N 2.93Å; Q1199-R1201 VanDerWaalsContact C-N 3.33Å; Q1199-R1201 PolarHBondContact O-N 3.38Å; R1201-H1205 VanDerWaalsContact O-CB 3.28Å; R1201-H1205 WeakPolarHBondContact O-CB 3.49Å; R1201-H1205 PolarHBondContact O-N 3.41Å |
| 1202 | Q | 93.5 | Very high | 93.4 | Very high | 117 Ų | 117 | 109.7 Ų | 109.7 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 174.9 | -75.2 | 178.4 | 10 | 0 | 0 | 112 | L1198 Q1199 H1205 M1206 | L1198-Q1202 WeakPolarHBondContact O-CB 3.48Å; L1198-Q1202 VanDerWaalsContact O-CG 3.32Å; L1198-Q1202 WeakPolarHBondContact O-CG 3.45Å; L1198-Q1202 PolarHBondContact O-N 2.85Å; Q1199-Q1202 PolarHBondContact O-N 3.05Å; Q1202-H1205 PolarHBondContact O-N 3.38Å; Q1202-M1206 WeakPolarHBondContact O-CB 3.43Å; Q1202-M1206 WeakPolarHBondContact O-CG 3.35Å; Q1202-M1206 PolarHBondContact O-N 2.84Å |
| 1203 | A | 94.5 | Very high | 93.2 | Very high | 60 Ų | 60 | 108 Ų | 108 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1199 E1200 M1206 E1207 | Q1199-A1203 WeakPolarHBondContact O-CB 3.46Å; Q1199-A1203 PolarHBondContact O-N 3.46Å; E1200-A1203 PolarHBondContact O-N 3.22Å; A1203-M1206 PolarHBondContact O-N 3.48Å; A1203-E1207 PolarHBondContact O-N 2.8Å |
| 1204 | F | 94.4 | Very high | 93 | Very high | 148 Ų | 148 | 105.8 Ų | 105.8 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -46.5 | 172.7 | 178.7 | -98.1 | 0 | 0 | 0 | 111.6 | E1200 M1206 E1207 V1208 | E1200-F1204 VanDerWaalsContact O-CB 3.23Å; E1200-F1204 WeakPolarHBondContact O-CB 3.26Å; E1200-F1204 PolarHBondContact O-N 3.01Å; F1204-M1206 VanDerWaalsContact C-N 3.33Å; F1204-M1206 PolarHBondContact O-N 2.94Å; F1204-E1207 PolarHBondContact O-N 3.41Å; F1204-V1208 HydrophobicContact CD1-CG2 4.24Å; F1204-V1208 HydrophobicContact CE1-CG2 3.87Å; F1204-V1208 HydrophobicContact CE2-CG2 4.32Å; F1204-V1208 HydrophobicContact CZ-CG2 3.91Å; F1204-V1208 WeakPolarHBondContact O-CB 3.2Å; F1204-V1208 VanDerWaalsContact O-CG2 3.31Å; F1204-V1208 WeakPolarHBondContact O-CG2 3.39Å; F1204-V1208 PolarHBondContact O-N 2.73Å |
| 1205 | H | 93.5 | Very high | 92.8 | Very high | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 177.5 | -172.6 | 57.5 | 0 | 0 | 0 | 112.4 | R1201 Q1202 V1208 I1209 | R1201-H1205 VanDerWaalsContact O-CB 3.28Å; R1201-H1205 WeakPolarHBondContact O-CB 3.49Å; R1201-H1205 PolarHBondContact O-N 3.41Å; Q1202-H1205 PolarHBondContact O-N 3.38Å; H1205-V1208 PolarHBondContact O-N 2.84Å; H1205-I1209 WeakPolarHBondContact O-CG1 3.28Å; H1205-I1209 PolarHBondContact O-N 3.1Å |
| 1206 | M | 92.2 | Very high | 92.4 | Very high | 112 Ų | 112 | 104.5 Ų | 104.5 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 175.4 | -80.1 | -90.4 | 70.7 | 0 | 0 | 112.8 | Q1202 A1203 F1204 I1209 K1210 | Q1202-M1206 WeakPolarHBondContact O-CB 3.43Å; Q1202-M1206 WeakPolarHBondContact O-CG 3.35Å; Q1202-M1206 PolarHBondContact O-N 2.84Å; A1203-M1206 PolarHBondContact O-N 3.48Å; F1204-M1206 VanDerWaalsContact C-N 3.33Å; F1204-M1206 PolarHBondContact O-N 2.94Å; M1206-I1209 HydrophobicContact CE-CB 4.05Å; M1206-I1209 HydrophobicContact CE-CD1 3.82Å; M1206-I1209 HydrophobicContact CE-CG2 4.01Å; M1206-I1209 PolarHBondContact O-N 2.88Å; M1206-K1210 WeakPolarHBondContact O-CB 3.26Å; M1206-K1210 PolarHBondContact O-N 3.3Å |
| 1207 | E | 93.1 | Very high | 92.1 | Very high | 86 Ų | 86 | 104.9 Ų | 104.9 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.4 | -32.9 | 175.6 | -164 | 60.2 | -145 | 0 | 0 | 111.8 | A1203 F1204 K1210 T1211 | A1203-E1207 PolarHBondContact O-N 2.8Å; F1204-E1207 PolarHBondContact O-N 3.41Å; E1207-K1210 PolarHBondContact O-N 3.28Å; E1207-K1210 IonicContact OE1-NZ 2.8Å; E1207-K1210 PolarHBondContact OE1-NZ 3Å; E1207-K1210 IonicContact OE2-NZ 2.6Å; E1207-K1210 PolarHBondContact OE2-NZ 2.9Å; E1207-T1211 HydrophobicContact CG-CG2 4.34Å; E1207-T1211 WeakPolarHBondContact O-CB 3.42Å; E1207-T1211 VanDerWaalsContact O-CG2 3.29Å; E1207-T1211 WeakPolarHBondContact O-CG2 3.48Å; E1207-T1211 PolarHBondContact O-N 3.42Å; E1207-T1211 PolarHBondContact O-OG1 2.88Å |
| 1208 | V | 92.5 | Very high | 91.7 | Very high | 45 Ų | 45 | 102.2 Ų | 102.2 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 169.7 | 169.8 | 0 | 0 | 0 | 0 | 111 | F1204 H1205 T1211 M1212 | F1204-V1208 HydrophobicContact CD1-CG2 4.24Å; F1204-V1208 HydrophobicContact CE1-CG2 3.87Å; F1204-V1208 HydrophobicContact CE2-CG2 4.32Å; F1204-V1208 HydrophobicContact CZ-CG2 3.91Å; F1204-V1208 WeakPolarHBondContact O-CB 3.2Å; F1204-V1208 VanDerWaalsContact O-CG2 3.31Å; F1204-V1208 WeakPolarHBondContact O-CG2 3.39Å; F1204-V1208 PolarHBondContact O-N 2.73Å; H1205-V1208 PolarHBondContact O-N 2.84Å; V1208-T1211 WeakPolarHBondContact CA-OG1 3.48Å; V1208-T1211 PolarHBondContact O-OG1 3.36Å; V1208-T1211 VanDerWaalsContact O-OG1 3.07Å; V1208-M1212 HydrophobicContact CG1-CE 3.89Å; V1208-M1212 HydrophobicContact CG1-SD 4.4Å; V1208-M1212 WeakPolarHBondContact O-CB 3.5Å; V1208-M1212 VanDerWaalsContact O-CG 3.3Å; V1208-M1212 WeakPolarHBondContact O-CG 3.46Å; V1208-M1212 PolarHBondContact O-N 2.72Å |
| 1209 | I | 91.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 103.1 Ų | 103.1 | 30% | 0.303 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 174.8 | -73.3 | 165.5 | 0 | 0 | 0 | 110.7 | H1205 M1206 T1211 M1212 E1213 | H1205-I1209 WeakPolarHBondContact O-CG1 3.28Å; H1205-I1209 PolarHBondContact O-N 3.1Å; M1206-I1209 HydrophobicContact CE-CB 4.05Å; M1206-I1209 HydrophobicContact CE-CD1 3.82Å; M1206-I1209 HydrophobicContact CE-CG2 4.01Å; M1206-I1209 PolarHBondContact O-N 2.88Å; I1209-T1211 PolarHBondContact O-N 2.68Å; I1209-M1212 CarbonylContact O-C 3.57Å; I1209-M1212 WeakPolarHBondContact O-CB 3.43Å; I1209-M1212 PolarHBondContact O-N 3.18Å; I1209-E1213 HydrophobicContact CG2-CG 4.41Å; I1209-E1213 WeakPolarHBondContact O-CG 3.18Å; I1209-E1213 PolarHBondContact O-N 2.86Å |
| 1210 | K | 93.2 | Very high | 90.5 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | -179.1 | 174.7 | 170.3 | 155.7 | -107.5 | 0 | 113 | M1206 E1207 N1214 | M1206-K1210 WeakPolarHBondContact O-CB 3.26Å; M1206-K1210 PolarHBondContact O-N 3.3Å; E1207-K1210 PolarHBondContact O-N 3.28Å; E1207-K1210 IonicContact OE1-NZ 2.8Å; E1207-K1210 PolarHBondContact OE1-NZ 3Å; E1207-K1210 IonicContact OE2-NZ 2.6Å; E1207-K1210 PolarHBondContact OE2-NZ 2.9Å; K1210-N1214 VanDerWaalsContact O-CB 3.3Å; K1210-N1214 WeakPolarHBondContact O-CB 3.49Å; K1210-N1214 PolarHBondContact O-N 3.04Å; K1210-N1214 PolarHBondContact O-ND2 3.19Å |
| 1211 | T | 90.4 | Very high | 89.9 | Confident | 75 Ų | 75 | 104.5 Ų | 104.5 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.5 | -35.6 | 173.8 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | E1207 V1208 I1209 R1215 | E1207-T1211 HydrophobicContact CG-CG2 4.34Å; E1207-T1211 WeakPolarHBondContact O-CB 3.42Å; E1207-T1211 VanDerWaalsContact O-CG2 3.29Å; E1207-T1211 WeakPolarHBondContact O-CG2 3.48Å; E1207-T1211 PolarHBondContact O-N 3.42Å; E1207-T1211 PolarHBondContact O-OG1 2.88Å; V1208-T1211 WeakPolarHBondContact CA-OG1 3.48Å; V1208-T1211 PolarHBondContact O-OG1 3.36Å; V1208-T1211 VanDerWaalsContact O-OG1 3.07Å; I1209-T1211 PolarHBondContact O-N 2.68Å; T1211-R1215 VanDerWaalsContact O-CB 3.27Å; T1211-R1215 WeakPolarHBondContact O-CB 3.22Å; T1211-R1215 PolarHBondContact O-N 3.31Å |
| 1212 | M | 86.4 | Confident | 89.2 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 170 | -74.2 | -173.9 | -177.4 | 0 | 0 | 112.2 | V1208 I1209 R1215 A1216 | V1208-M1212 HydrophobicContact CG1-CE 3.89Å; V1208-M1212 HydrophobicContact CG1-SD 4.4Å; V1208-M1212 WeakPolarHBondContact O-CB 3.5Å; V1208-M1212 VanDerWaalsContact O-CG 3.3Å; V1208-M1212 WeakPolarHBondContact O-CG 3.46Å; V1208-M1212 PolarHBondContact O-N 2.72Å; I1209-M1212 CarbonylContact O-C 3.57Å; I1209-M1212 WeakPolarHBondContact O-CB 3.43Å; I1209-M1212 PolarHBondContact O-N 3.18Å; M1212-R1215 PolarHBondContact O-N 2.86Å; M1212-A1216 WeakPolarHBondContact O-CB 3.39Å; M1212-A1216 PolarHBondContact O-N 2.98Å |
| 1213 | E | 90.3 | Very high | 88.3 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 174.4 | -73.5 | -165.9 | 160.9 | 0 | 0 | 111.6 | I1209 R1215 A1216 R1217 | I1209-E1213 HydrophobicContact CG2-CG 4.41Å; I1209-E1213 WeakPolarHBondContact O-CG 3.18Å; I1209-E1213 PolarHBondContact O-N 2.86Å; E1213-R1215 VanDerWaalsContact C-N 3.29Å; E1213-R1215 PolarHBondContact O-N 2.96Å; E1213-A1216 CarbonylContact O-C 3.22Å; E1213-A1216 WeakPolarHBondContact O-CB 3.41Å; E1213-A1216 PolarHBondContact O-N 3.33Å; E1213-A1216 VanDerWaalsContact O-N 3.12Å; E1213-R1217 WeakPolarHBondContact O-CG 3.36Å; E1213-R1217 PolarHBondContact O-N 3.2Å; E1213-R1217 IonicContact OE1-NH2 3.87Å; E1213-R1217 IonicContact OE2-CZ 3.17Å; E1213-R1217 IonicContact OE2-NH1 2.77Å; E1213-R1217 PolarHBondContact OE2-NH1 3.03Å; E1213-R1217 IonicContact OE2-NH2 2.71Å; E1213-R1217 PolarHBondContact OE2-NH2 3.44Å |
| 1214 | N | 89.9 | Confident | 87.2 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -32.3 | -179.6 | -72.5 | -19.4 | 0 | 0 | 0 | 111.7 | K1210 R1217 A1218 | K1210-N1214 VanDerWaalsContact O-CB 3.3Å; K1210-N1214 WeakPolarHBondContact O-CB 3.49Å; K1210-N1214 PolarHBondContact O-N 3.04Å; K1210-N1214 PolarHBondContact O-ND2 3.19Å; N1214-R1217 PolarHBondContact OD1-NH1 3.22Å; N1214-A1218 VanDerWaalsContact O-CB 3.28Å; N1214-A1218 WeakPolarHBondContact O-CB 3.24Å; N1214-A1218 PolarHBondContact O-N 2.62Å |
| 1215 | R | 90.3 | Very high | 85.8 | Confident | 187 Ų | 187 | 101.8 Ų | 101.8 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 169 | -169.9 | 174.8 | -172.8 | 136.9 | 1.5 | 111.8 | T1211 M1212 E1213 A1218 L1219 | T1211-R1215 VanDerWaalsContact O-CB 3.27Å; T1211-R1215 WeakPolarHBondContact O-CB 3.22Å; T1211-R1215 PolarHBondContact O-N 3.31Å; M1212-R1215 PolarHBondContact O-N 2.86Å; E1213-R1215 VanDerWaalsContact C-N 3.29Å; E1213-R1215 PolarHBondContact O-N 2.96Å; R1215-A1218 PolarHBondContact O-N 3.25Å; R1215-L1219 HydrophobicContact CG-CD1 4.45Å; R1215-L1219 WeakPolarHBondContact O-CB 3.04Å; R1215-L1219 VanDerWaalsContact O-CG 3.28Å; R1215-L1219 WeakPolarHBondContact O-CG 3.41Å; R1215-L1219 PolarHBondContact O-N 2.82Å |
| 1216 | A | 87.2 | Confident | 84.2 | Confident | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1212 E1213 L1219 M1220 | M1212-A1216 WeakPolarHBondContact O-CB 3.39Å; M1212-A1216 PolarHBondContact O-N 2.98Å; E1213-A1216 CarbonylContact O-C 3.22Å; E1213-A1216 WeakPolarHBondContact O-CB 3.41Å; E1213-A1216 PolarHBondContact O-N 3.33Å; E1213-A1216 VanDerWaalsContact O-N 3.12Å; A1216-L1219 PolarHBondContact O-N 2.76Å; A1216-M1220 WeakPolarHBondContact O-CG 3.49Å; A1216-M1220 PolarHBondContact O-N 2.86Å |
| 1217 | R | 88.2 | Confident | 82.5 | Confident | 119 Ų | 119 | 103.4 Ų | 103.4 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 172.7 | -70.6 | 176.2 | -175.2 | 111.7 | 12.2 | 111.3 | E1213 N1214 L1219 M1220 H1221 | E1213-R1217 WeakPolarHBondContact O-CG 3.36Å; E1213-R1217 PolarHBondContact O-N 3.2Å; E1213-R1217 IonicContact OE1-NH2 3.87Å; E1213-R1217 IonicContact OE2-CZ 3.17Å; E1213-R1217 IonicContact OE2-NH1 2.77Å; E1213-R1217 PolarHBondContact OE2-NH1 3.03Å; E1213-R1217 IonicContact OE2-NH2 2.71Å; E1213-R1217 PolarHBondContact OE2-NH2 3.44Å; N1214-R1217 PolarHBondContact OD1-NH1 3.22Å; R1217-L1219 PolarHBondContact O-N 2.66Å; R1217-M1220 PolarHBondContact O-N 2.94Å; R1217-H1221 PolarHBondContact O-CD2 3.18Å; R1217-H1221 PolarHBondContact O-N 3.39Å |
| 1218 | A | 86.3 | Confident | 80.6 | Confident | 61 Ų | 61 | 107 Ų | 107 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1214 R1215 H1221 H1222 | N1214-A1218 VanDerWaalsContact O-CB 3.28Å; N1214-A1218 WeakPolarHBondContact O-CB 3.24Å; N1214-A1218 PolarHBondContact O-N 2.62Å; R1215-A1218 PolarHBondContact O-N 3.25Å; A1218-H1221 PolarHBondContact O-N 2.94Å; A1218-H1222 WeakPolarHBondContact O-CB 3.44Å; A1218-H1222 PolarHBondContact O-N 3.23Å |
| 1219 | L | 85.4 | Confident | 78.4 | Confident | 112 Ų | 112 | 113 Ų | 113 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.6 | -39.8 | 173.7 | -72.2 | 168.4 | 0 | 0 | 0 | 112.1 | R1215 A1216 R1217 H1222 H1223 | R1215-L1219 HydrophobicContact CG-CD1 4.45Å; R1215-L1219 WeakPolarHBondContact O-CB 3.04Å; R1215-L1219 VanDerWaalsContact O-CG 3.28Å; R1215-L1219 WeakPolarHBondContact O-CG 3.41Å; R1215-L1219 PolarHBondContact O-N 2.82Å; A1216-L1219 PolarHBondContact O-N 2.76Å; R1217-L1219 PolarHBondContact O-N 2.66Å; L1219-H1222 PolarHBondContact O-N 3.2Å; L1219-H1223 VanDerWaalsContact O-CB 3.3Å; L1219-H1223 WeakPolarHBondContact O-CB 3.42Å; L1219-H1223 PolarHBondContact O-N 2.82Å |
| 1220 | M | 79.9 | Confident | 75.5 | Confident | 138 Ų | 138 | 115.2 Ų | 115.2 | 68% | 0.68 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -39 | 174.3 | -73.5 | -154.6 | 76.7 | 0 | 0 | 112.9 | A1216 R1217 H1223 N1224 | A1216-M1220 WeakPolarHBondContact O-CG 3.49Å; A1216-M1220 PolarHBondContact O-N 2.86Å; R1217-M1220 PolarHBondContact O-N 2.94Å; M1220-H1223 PolarHBondContact O-N 3.35Å; M1220-N1224 VanDerWaalsContact O-CB 3.28Å; M1220-N1224 WeakPolarHBondContact O-CB 3.11Å; M1220-N1224 PolarHBondContact O-N 2.94Å |
| 1221 | H | 81.7 | Confident | 72.6 | Confident | 127 Ų | 127 | 114.8 Ų | 114.8 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -41.6 | 173.8 | -80.1 | -66.8 | 0 | 0 | 0 | 111.8 | R1217 A1218 N1224 Q1225 | R1217-H1221 PolarHBondContact O-CD2 3.18Å; R1217-H1221 PolarHBondContact O-N 3.39Å; A1218-H1221 PolarHBondContact O-N 2.94Å; H1221-N1224 PolarHBondContact O-N 3.49Å; H1221-Q1225 WeakPolarHBondContact O-CB 3.36Å; H1221-Q1225 WeakPolarHBondContact O-CG 3.06Å; H1221-Q1225 PolarHBondContact O-N 3.04Å |
| 1222 | H | 78.3 | Confident | 69.9 | Low | 116 Ų | 116 | 118.3 Ų | 118.3 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.3 | -44 | 173.5 | -170.5 | -78.7 | 0 | 0 | 0 | 111.4 | A1218 L1219 Q1226 | A1218-H1222 WeakPolarHBondContact O-CB 3.44Å; A1218-H1222 PolarHBondContact O-N 3.23Å; L1219-H1222 PolarHBondContact O-N 3.2Å; H1222-Q1226 PolarHBondContact CE1-NE2 2.85Å; H1222-Q1226 WeakPolarHBondContact O-CG 3.46Å; H1222-Q1226 PolarHBondContact O-N 2.99Å; H1222-Q1226 VanDerWaalsContact O-N 3.1Å |
| 1223 | H | 76.4 | Confident | 67.5 | Low | 106 Ų | 106 | 118.1 Ų | 118.1 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.2 | -40 | 176.7 | -170.7 | 67 | 0 | 0 | 0 | 112.6 | L1219 M1220 Q1226 Q1227 | L1219-H1223 VanDerWaalsContact O-CB 3.3Å; L1219-H1223 WeakPolarHBondContact O-CB 3.42Å; L1219-H1223 PolarHBondContact O-N 2.82Å; M1220-H1223 PolarHBondContact O-N 3.35Å; H1223-Q1226 WeakPolarHBondContact O-CB 3.41Å; H1223-Q1226 PolarHBondContact O-N 3.01Å; H1223-Q1227 PolarHBondContact CD2-NE2 3.01Å; H1223-Q1227 PolarHBondContact NE2-NE2 3.1Å; H1223-Q1227 PolarHBondContact O-N 3.31Å; H1223-Q1227 VanDerWaalsContact O-N 3.14Å |
| 1224 | N | 70.3 | Confident | 64.9 | Low | 86 Ų | 86 | 120 Ų | 120 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -74.2 | -36.1 | -179.7 | -160.7 | -11.1 | 0 | 0 | 0 | 112 | M1220 H1221 Q1226 Q1227 Q1228 | M1220-N1224 VanDerWaalsContact O-CB 3.28Å; M1220-N1224 WeakPolarHBondContact O-CB 3.11Å; M1220-N1224 PolarHBondContact O-N 2.94Å; H1221-N1224 PolarHBondContact O-N 3.49Å; N1224-Q1226 VanDerWaalsContact C-N 3.29Å; N1224-Q1226 PolarHBondContact O-N 3.13Å; N1224-Q1227 PolarHBondContact O-N 3.47Å; N1224-Q1227 VanDerWaalsContact O-N 3.08Å; N1224-Q1228 PolarHBondContact O-N 2.94Å |
| 1225 | Q | 64.7 | Low | 62.1 | Low | 148 Ų | 148 | 123.8 Ų | 123.8 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.8 | -37 | 169 | -75.1 | -175.2 | 2.8 | 0 | 0 | 111.9 | H1221 Q1227 Q1228 | H1221-Q1225 WeakPolarHBondContact O-CB 3.36Å; H1221-Q1225 WeakPolarHBondContact O-CG 3.06Å; H1221-Q1225 PolarHBondContact O-N 3.04Å; Q1225-Q1227 VanDerWaalsContact C-N 3.28Å; Q1225-Q1227 PolarHBondContact O-N 2.59Å; Q1225-Q1228 PolarHBondContact O-N 3.09Å |
| 1226 | Q | 59.4 | Low | 59.6 | Low | 123 Ų | 123 | 119.6 Ų | 119.6 | 58% | 0.575 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.9 | -21.8 | 172.7 | -74.9 | -178.9 | -29.9 | 0 | 0 | 113.9 | H1222 H1223 N1224 | H1222-Q1226 PolarHBondContact CE1-NE2 2.85Å; H1222-Q1226 WeakPolarHBondContact O-CG 3.46Å; H1222-Q1226 PolarHBondContact O-N 2.99Å; H1222-Q1226 VanDerWaalsContact O-N 3.1Å; H1223-Q1226 WeakPolarHBondContact O-CB 3.41Å; H1223-Q1226 PolarHBondContact O-N 3.01Å; N1224-Q1226 VanDerWaalsContact C-N 3.29Å; N1224-Q1226 PolarHBondContact O-N 3.13Å |
| 1227 | Q | 57.8 | Low | 56.8 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -85.4 | -13.1 | 175.5 | -70.8 | -169.3 | 21.7 | 0 | 0 | 114.2 | H1223 N1224 Q1225 | H1223-Q1227 PolarHBondContact CD2-NE2 3.01Å; H1223-Q1227 PolarHBondContact NE2-NE2 3.1Å; H1223-Q1227 PolarHBondContact O-N 3.31Å; H1223-Q1227 VanDerWaalsContact O-N 3.14Å; N1224-Q1227 PolarHBondContact O-N 3.47Å; N1224-Q1227 VanDerWaalsContact O-N 3.08Å; Q1225-Q1227 VanDerWaalsContact C-N 3.28Å; Q1225-Q1227 PolarHBondContact O-N 2.59Å |
| 1228 | Q | 53.8 | Low | 54 | Low | 161 Ų | 161 | 125.6 Ų | 125.6 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -98.1 | 3.8 | 176.7 | -63.7 | -169.7 | 20.3 | 0 | 0 | 114.1 | N1224 Q1225 | N1224-Q1228 PolarHBondContact O-N 2.94Å; Q1225-Q1228 PolarHBondContact O-N 3.09Å |
| 1229 | Q | 44.9 | Very low | 51.3 | Low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.8 | 109.8 | 164.6 | -68.1 | -167.6 | 2 | 0 | 0 | 110.1 | ||
| 1230 | S | 31.6 | Very low | 49.1 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 141.8 | -177.5 | 53 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1231 | S | 32.8 | Very low | 47.1 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | 49.3 | 106.2 | 148.2 | 60.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1232 | N | 32.3 | Very low | 44.5 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | 168.1 | 142.9 | 114.5 | -85.7 | -43 | 0 | 0 | 0 | 113.7 | |||||
| 1233 | V | 36 | Very low | 42.3 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | 43.5 | 96.8 | 144.2 | -173.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1234 | V | 34.9 | Very low | 40.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | 79.9 | 118.5 | 75.5 | 170.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1235 | L | 31.6 | Very low | 38.1 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | 26.3 | 158.2 | 148 | -102.8 | 66.4 | 0 | 0 | 0 | 122.6 | ||||
| 1236 | P | 38.2 | Very low | 37 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | cis | -141.3 | -172.7 | -0.6 | 42.7 | -23.3 | 0 | 0 | 0 | 117.1 | ||||
| 1237 | Q | 28.2 | Very low | 35.4 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 80.2 | 127.3 | 145.2 | -87.4 | -175.7 | -25.4 | 0 | 0 | 124.5 | ||||
| 1238 | Q | 29.8 | Very low | 34.2 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | 83.7 | 127.9 | 132.6 | -79.7 | -178.1 | -10 | 0 | 0 | 124.6 | ||||
| 1239 | Q | 29.4 | Very low | 33.4 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | trans | 81.2 | 97.9 | 134.1 | -74.5 | 170.4 | -2.3 | 0 | 0 | 122.2 | ||||
| 1240 | Q | 40.2 | Very low | 32.6 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | -43.2 | 159 | 126.4 | -85.4 | -175.6 | -6.7 | 0 | 0 | 112.5 | |||||
| 1241 | P | 35.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | -156.7 | -162.8 | 50 | 45.3 | -23.3 | 0 | 0 | 0 | 118.3 | |||||
| 1242 | Q | 27.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 79.1 | 94 | 150.8 | -77.8 | 167.4 | -9.7 | 0 | 0 | 121.8 | ||||
| 1243 | S | 32.2 | Very low | 32.3 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | 24.4 | 123.1 | 118.1 | 59.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1244 | Q | 30.1 | Very low | 32 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -153.4 | 126.4 | 146.1 | -101.5 | 167.3 | 33.3 | 0 | 0 | 107.9 | ||||
| 1245 | I | 28.3 | Very low | 31.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | 79.8 | 131.5 | 85.7 | -70.5 | -176.3 | 0 | 0 | 0 | 113.5 | |||||
| 1246 | P | 42 | Very low | 31.6 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -105.4 | 170.1 | -166.9 | 41.2 | -36.9 | 0 | 0 | 0 | 115 | ||||
| 1247 | L | 26.7 | Very low | 31.3 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | 169.4 | 166.3 | 135.8 | -95.2 | 163.6 | 0 | 0 | 0 | 114.3 | ||||
| 1248 | Q | 31.5 | Very low | 31.3 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | 78.5 | 154.8 | 160 | -80.5 | -163.6 | -15.2 | 0 | 0 | 120.6 | ||||
| 1249 | P | 37.5 | Very low | 31.6 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | trans | -138.8 | -158.7 | -135 | 41.9 | -20.4 | 0 | 0 | 0 | 116 | ||||
| 1250 | T | 27.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | 70.4 | 126.7 | 176.1 | 63.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1251 | F | 29.6 | Very low | 30.9 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | -167.7 | 150.1 | 70.1 | -106.5 | -87.8 | 0 | 0 | 0 | 113.6 | |||||
| 1252 | S | 30.6 | Very low | 30.5 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 30.3 | 143.9 | 148.6 | 60.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1253 | S | 31.9 | Very low | 30.6 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 140.9 | 140 | 59.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1254 | T | 28.6 | Very low | 30.8 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -162.9 | 152.2 | -32.5 | -8.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1255 | Q | 28 | Very low | 30.7 | Very low | 195 Ų | 195 | 129.4 Ų | 129.4 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | trans | 62.9 | 116.2 | 162 | -63.8 | 178.3 | -4.6 | 0 | 0 | 119.2 | ||||
| 1256 | G | 30.3 | Very low | 30.7 | Very low | 67 Ų | 67 | 128.3 Ų | 128.3 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 143 | 130.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1257 | S | 32.7 | Very low | 30.1 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | 64.6 | 163.5 | 175.2 | 85.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1258 | C | 26.3 | Very low | 30.3 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | cis | -160.6 | 178.3 | -20.1 | -114.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1259 | P | 37.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -88.7 | -163.6 | -168.6 | 36.2 | -36.5 | 0 | 0 | 0 | 114.9 | ||||
| 1260 | V | 26.4 | Very low | 30.7 | Very low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 105.1 | 100.4 | 166.1 | -178.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1261 | V | 27.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | trans | 72 | 129.3 | 135.2 | 172.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1262 | M | 27.5 | Very low | 31.6 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 86% | 0.862 | 74% | 0.744 | S | S | * | * | trans | 63.9 | 125.4 | 153 | -79.8 | 168.9 | -176.5 | 0 | 0 | 123.1 | ||||
| 1263 | N | 29.9 | Very low | 31.7 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 76 | 172.6 | 142 | -119.5 | 15.8 | 0 | 0 | 0 | 117.3 | ||||
| 1264 | P | 36.8 | Very low | 32 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | -135 | -158.3 | -110.2 | 41.4 | -21 | 0 | 0 | 0 | 114.4 | |||||
| 1265 | V | 28.6 | Very low | 32.3 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 92.2 | 118.7 | 143.9 | 131.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1266 | L | 27.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | 77 | 140.2 | 144.9 | -71 | 175.8 | 0 | 0 | 0 | 124.7 | ||||
| 1267 | H | 30.4 | Very low | 32.8 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 81.1 | 117 | 140.5 | -75.1 | 138.9 | 0 | 0 | 0 | 123 | ||||
| 1268 | S | 29.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | 107.8 | 100.7 | 116.4 | 69.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1269 | N | 29.3 | Very low | 33.6 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | 77.4 | 163.9 | 128.2 | -93.5 | -8.1 | 0 | 0 | 0 | 120.9 | |||||
| 1270 | P | 47.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | trans | -114.8 | -157.5 | -148.7 | 38.6 | -21.3 | 0 | 0 | 0 | 112.3 | ||||
| 1271 | P | 40.4 | Very low | 34.6 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | -157.7 | 174.5 | 84.1 | 42.8 | -23 | 0 | 0 | 0 | 118.3 | |||||
| 1272 | I | 35.8 | Very low | 35 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 66.4 | 117.2 | 149.3 | -73.1 | 155.8 | 0 | 0 | 0 | 117.7 | ||||
| 1273 | Q | 32.9 | Very low | 35.4 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | 67.9 | 152.3 | 66.2 | -79.7 | -167.9 | -11.8 | 0 | 0 | 115.6 | |||||
| 1274 | P | 38.1 | Very low | 35.5 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | cis | -126.5 | -169.1 | 1.4 | 39.7 | -22.1 | 0 | 0 | 0 | 114.8 | ||||
| 1275 | G | 34.7 | Very low | 35.2 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | -87.6 | -142.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1276 | P | 40.1 | Very low | 35.4 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | cis | -143.9 | -157.1 | 9.5 | 45.6 | -24.9 | 0 | 0 | 0 | 115.9 | ||||
| 1277 | H | 30 | Very low | 35.6 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -35.1 | 153.2 | 176.3 | -49.7 | -81.1 | 0 | 0 | 0 | 121.4 | ||||
| 1278 | V | 39.6 | Very low | 35.7 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -177.9 | 111.3 | 130.6 | 143.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1279 | I | 36.2 | Very low | 36 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 80.1 | 120.4 | 71 | -66.4 | 167.6 | 0 | 0 | 0 | 113.5 | |||||
| 1280 | P | 43.2 | Very low | 36.2 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -86.6 | -177.5 | 179.2 | 38.6 | -38.3 | 0 | 0 | 0 | 112.7 | ||||
| 1281 | P | 41.7 | Very low | 35.7 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | -159 | 163.2 | 108.5 | 41.5 | -23 | 0 | 0 | 0 | 119.3 | |||||
| 1282 | T | 34.4 | Very low | 35.5 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | trans | 52.9 | 144.7 | 139.7 | 56.2 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1283 | G | 36.2 | Very low | 35.4 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 123.5 | 99.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1284 | S | 32.7 | Very low | 35.4 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | cis | 99.5 | 113.2 | 25.6 | 86.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1285 | N | 29.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | trans | 79.6 | 160.7 | 147.6 | -58.8 | -9.7 | 0 | 0 | 0 | 122.7 | ||||
| 1286 | Y | 34.4 | Very low | 35.4 | Very low | 202 Ų | 202 | 127.2 Ų | 127.2 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | 77.6 | 113.4 | 165.6 | -44.3 | -64 | 0 | 0 | 0 | 115.8 | ||||
| 1287 | A | 31.3 | Very low | 35.4 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | cis | 79.8 | 149.5 | 48 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1288 | A | 32.6 | Very low | 35.6 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | cis | -158.3 | -171.3 | 15.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1289 | Q | 34.4 | Very low | 35 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 74.9 | 143.8 | 156.9 | -61.9 | 165.4 | 19.8 | 0 | 0 | 117.5 | ||||
| 1290 | T | 35.2 | Very low | 34.7 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | cis | -156.1 | 134.5 | -8.8 | 13 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1291 | V | 35.5 | Very low | 34.1 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | -11.4 | 169.3 | 142.7 | -79.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1292 | P | 37 | Very low | 33.4 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | cis | -142.8 | -171.9 | 16.8 | 31.4 | -5.7 | 0 | 0 | 0 | 118 | ||||
| 1293 | I | 34.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 82% | 0.821 | 73% | 0.734 | S | S | * | * | trans | 75 | 131.9 | 159.3 | -49.2 | -171.5 | 0 | 0 | 0 | 116.1 | ||||
| 1294 | S | 32.9 | Very low | 32.9 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | -177.2 | 146.2 | -14.5 | 159.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1295 | N | 33.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | cis | -162.2 | 160.9 | -11.2 | -100 | -0.3 | 0 | 0 | 0 | 108.2 | ||||
| 1296 | D | 39 | Very low | 32.6 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -67.1 | 158.5 | 168.2 | -118 | -56.5 | 0 | 0 | 0 | 113.2 | ||||
| 1297 | P | 40 | Very low | 32.3 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | -145.2 | 168 | 81.3 | 36.2 | -19 | 0 | 0 | 0 | 115.1 | |||||
| 1298 | R | 33.1 | Very low | 32 | Very low | 223 Ų | 223 | 127.9 Ų | 127.9 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | cis | -161.9 | 133.5 | -11.3 | -102.1 | 163.2 | 169.4 | 168.1 | -4.9 | 103.5 | ||||
| 1299 | S | 28 | Very low | 31.9 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | cis | 78.8 | 124.4 | 46.3 | 92.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1300 | V | 28.6 | Very low | 31.5 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | 74.5 | 104.7 | 150.1 | -177.1 | 0 | 0 | 0 | 0 | 119.1 | N1302 | V1300-N1302 HydrophobicContact CG1-CB 4.36Š| ||
| 1301 | L | 31.1 | Very low | 31 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | -169.3 | 110.7 | 117.2 | -96.5 | 151.8 | 0 | 0 | 0 | 106.7 | |||||
| 1302 | N | 27.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | cis | 93.8 | 134.3 | 30.1 | -171.2 | 50.7 | 0 | 0 | 0 | 114.3 | V1300 | V1300-N1302 HydrophobicContact CG1-CB 4.36Š| ||
| 1303 | S | 27.7 | Very low | 30.4 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | trans | 59.8 | 144.4 | 178.2 | 38.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1304 | S | 31.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | cis | -143 | 143.2 | 2.7 | 45.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1305 | S | 27.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | cis | 78.3 | 72.9 | 45.3 | -52.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1306 | T | 29.3 | Very low | 29.6 | Very low | 119 Ų | 119 | 132 Ų | 132 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | -160.7 | 109.7 | 148.2 | 37.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1307 | N | 27.8 | Very low | 29.2 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | 86.8 | 124.1 | 96.3 | -72.5 | -19.9 | 0 | 0 | 0 | 112.9 | |||||
| 1308 | L | 26.1 | Very low | 28.5 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | 60.8 | 131 | 106.6 | -53.2 | 169 | 0 | 0 | 0 | 113.3 | |||||
| 1309 | T | 29.3 | Very low | 28.3 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | cis | -154.6 | 153 | 39.5 | -40.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1310 | V | 25.4 | Very low | 28.2 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | trans | -76.6 | 172.2 | 165.4 | 178 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1311 | Y | 26.4 | Very low | 28.2 | Very low | 208 Ų | 208 | 127.1 Ų | 127.1 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | 87 | 151.5 | 166.7 | -54.8 | -72.4 | 0 | 0 | 0 | 117.5 | ||||
| 1312 | P | 30.2 | Very low | 28.2 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -133 | 163.6 | -25.7 | 33.8 | -17.1 | 0 | 0 | 0 | 114.4 | ||||
| 1313 | S | 28.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 126 Ų | 126 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -80.1 | 130.9 | 153.2 | -52.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1314 | S | 30 | Very low | 28.8 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -134.5 | 116.3 | 168.8 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1315 | N | 27.2 | Very low | 28.6 | Very low | 108 Ų | 108 | 127 Ų | 127 | 58% | 0.578 | 75% | 0.746 | S | S | * | * | cis | 62.3 | 108.4 | 45.5 | -146.9 | 14.1 | 0 | 0 | 0 | 108.4 | ||||
| 1316 | Y | 27.8 | Very low | 28.8 | Very low | 215 Ų | 215 | 126.4 Ų | 126.4 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | cis | -149.9 | 178 | 38.1 | -76.4 | -93.1 | 0 | 0 | 0 | 109.9 | ||||
| 1317 | G | 29 | Very low | 28.7 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | 169 | 165.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1318 | T | 25.2 | Very low | 28.9 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | trans | -80 | 138.8 | -171.6 | -49.3 | 0 | 0 | 0 | 0 | 114.1 | T1320 | T1318-T1320 HydrophobicContact CG2-CG2 4.23Š| ||
| 1319 | I | 29 | Very low | 29.3 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -133.7 | 116.5 | 151.3 | -58.8 | -178.1 | 0 | 0 | 0 | 109.5 | ||||
| 1320 | T | 26.8 | Very low | 29.7 | Very low | 109 Ų | 109 | 124 Ų | 124 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | -97.6 | 137 | 165.2 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | T1318 | T1318-T1320 HydrophobicContact CG2-CG2 4.23Š| ||
| 1321 | T | 28.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | 173.7 | 163.6 | 126.3 | 28.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1322 | T | 31.9 | Very low | 30 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 69.7 | 109 | 164.5 | 49.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1323 | T | 30.9 | Very low | 29.9 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -53.1 | 174.9 | 144.4 | 31 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1324 | P | 36 | Very low | 29.9 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -135.2 | -174.2 | -13.3 | 32.7 | -11.9 | 0 | 0 | 0 | 115.1 | ||||
| 1325 | S | 27.7 | Very low | 30 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 86.4 | 144.3 | 145.6 | -62.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1326 | A | 31.4 | Very low | 30 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 84.6 | 121.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1327 | L | 28.1 | Very low | 30 | Very low | 160 Ų | 160 | 121.5 Ų | 121.5 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | -49.7 | 172.3 | 150.6 | -87.6 | 68.1 | 0 | 0 | 0 | 113.9 | ||||
| 1328 | P | 32.4 | Very low | 30 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | cis | -136.7 | -172.4 | -12.8 | 30.5 | -7.6 | 0 | 0 | 0 | 114.6 | ||||
| 1329 | S | 34 | Very low | 30.1 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -61.3 | -171.3 | 157.8 | -22.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1330 | P | 37.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -137.6 | -159.5 | -7.2 | 33 | -8.7 | 0 | 0 | 0 | 113.7 | ||||
| 1331 | N | 28.8 | Very low | 30.4 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 73.9 | 149.5 | 165.5 | -46.3 | -33.5 | 0 | 0 | 0 | 114.5 | ||||
| 1332 | Q | 29.6 | Very low | 30.5 | Very low | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | cis | -144.3 | 169.5 | 20.8 | -82.1 | -171.7 | 24.1 | 0 | 0 | 110.9 | ||||
| 1333 | Q | 28.2 | Very low | 30.3 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | cis | 177.8 | 122 | -23.6 | 177.7 | 174.6 | -48.9 | 0 | 0 | 109.5 | ||||
| 1334 | L | 27.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 63.3 | 176.2 | 162.2 | -95.4 | 69.7 | 0 | 0 | 0 | 117.3 | ||||
| 1335 | P | 32.4 | Very low | 30 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -138.9 | 165.9 | -30.1 | 35 | -17.4 | 0 | 0 | 0 | 116.6 | ||||
| 1336 | S | 27.5 | Very low | 30 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | 61.7 | 134 | 134.1 | 68 | 0 | 0 | 0 | 0 | 124 | ||||
| 1337 | S | 28.2 | Very low | 29.7 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 88% | 0.881 | 74% | 0.741 | S | S | * | * | trans | 69.5 | 138.2 | 142.2 | -57.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1338 | G | 28.3 | Very low | 29.8 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | cis | 145 | 157.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1339 | H | 27.4 | Very low | 29.6 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | 76.2 | 159.4 | 164.8 | -142.7 | -89.7 | 0 | 0 | 0 | 118 | ||||
| 1340 | I | 29.7 | Very low | 29.6 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 79.2 | 113.6 | 168.8 | -47.7 | 176.3 | 0 | 0 | 0 | 117.4 | ||||
| 1341 | S | 32.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -84 | 146.4 | 162.2 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1342 | P | 29 | Very low | 29.6 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | -151.8 | 168.3 | 111.4 | 41.7 | -26.1 | 0 | 0 | 0 | 116.9 | |||||
| 1343 | T | 28.6 | Very low | 29.6 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | trans | -64.2 | 176.9 | 152.4 | 26.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1344 | P | 33.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -130.8 | -163.7 | -36.5 | 33.8 | -14.2 | 0 | 0 | 0 | 111.6 | ||||
| 1345 | T | 26.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | 99.1 | 112.9 | 153.7 | -41.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1346 | Q | 28.3 | Very low | 30.2 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | 13 | 152.4 | 141.7 | -49.2 | -177.4 | 20.5 | 0 | 0 | 122.2 | ||||
| 1347 | L | 25.8 | Very low | 30.4 | Very low | 130 Ų | 130 | 139 Ų | 139 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | 179.8 | 153.5 | 99.3 | -106.4 | 103.1 | 0 | 0 | 0 | 112.4 | |||||
| 1348 | I | 29.6 | Very low | 30.7 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | 71.5 | 135.5 | 148.9 | -79 | 166.1 | 0 | 0 | 0 | 118.2 | ||||
| 1349 | Q | 29.2 | Very low | 30.9 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | -156.6 | 134.9 | -3.6 | -135.6 | 166.7 | -2.1 | 0 | 0 | 113.2 | ||||
| 1350 | H | 32.8 | Very low | 31.5 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | -162.3 | 151.3 | 124.7 | -108.9 | -84.5 | 0 | 0 | 0 | 108.2 | |||||
| 1351 | H | 31.8 | Very low | 32.2 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 70% | 0.704 | 73% | 0.731 | S | S | * | * | trans | -141.5 | 170.2 | -170 | -116.1 | 39.9 | 0 | 0 | 0 | 108.8 | ||||
| 1352 | P | 36.1 | Very low | 32.4 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | cis | -134.1 | -158.1 | 25.3 | 36.2 | -14.1 | 0 | 0 | 0 | 113.7 | ||||
| 1353 | R | 29.1 | Very low | 32.7 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | -175.4 | 169.2 | -55.4 | -161.4 | -170.8 | 176.7 | 175.2 | -0.4 | 108.6 | |||||
| 1354 | D | 34.4 | Very low | 33.1 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | trans | 94.7 | 143.9 | 159.3 | -50.9 | -16.4 | 0 | 0 | 0 | 118.5 | ||||
| 1355 | E | 31.6 | Very low | 33.1 | Very low | 138 Ų | 138 | 139 Ų | 139 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | cis | -164.4 | 171 | -33.4 | -157.4 | 163.9 | -141.9 | 0 | 0 | 111.8 | ||||
| 1356 | F | 35.2 | Very low | 33.4 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 69% | 0.689 | 74% | 0.736 | S | S | * | * | trans | 72.4 | 124 | 174.6 | -67.4 | -92.4 | 0 | 0 | 0 | 118.2 | ||||
| 1357 | Q | 30.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | cis | 94.4 | 138.9 | 45 | -79.8 | -173.3 | 6 | 0 | 0 | 114 | ||||
| 1358 | A | 34.3 | Very low | 34.1 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 65% | 0.653 | 74% | 0.737 | S | S | * | * | cis | -164.3 | 147.1 | -2.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1359 | Q | 32.1 | Very low | 34.5 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | 72.8 | 150.5 | 137.6 | -71.1 | -176 | -25.4 | 0 | 0 | 127.5 | ||||
| 1360 | P | 40 | Very low | 34.7 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -122.7 | -135.8 | -175 | 35.7 | -9.6 | 0 | 0 | 0 | 111.5 | ||||
| 1361 | P | 46.2 | Very low | 34.7 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | cis | -141.6 | -164.5 | -15.9 | 35.6 | -10.5 | 0 | 0 | 0 | 117.2 | ||||
| 1362 | M | 36.1 | Very low | 34.9 | Very low | 160 Ų | 160 | 131 Ų | 131 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | 81.5 | 157.5 | 159.8 | -59.6 | -69.7 | 97.6 | 0 | 0 | 119.3 | ||||
| 1363 | T | 36.1 | Very low | 34.7 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | cis | -157.3 | 153.2 | 19 | -23.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1364 | T | 35.3 | Very low | 34.8 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | 65.1 | 168.2 | 161.6 | 31.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1365 | A | 35.2 | Very low | 34.6 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 75% | 0.745 | S | S | * | * | cis | -171.7 | 176.1 | -9.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1366 | T | 32.3 | Very low | 34.6 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | cis | -175.1 | 153 | -30.8 | -76.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1367 | T | 34.1 | Very low | 34.3 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | 57.5 | 110.8 | 172.2 | 44.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1368 | T | 34.3 | Very low | 34.6 | Very low | 126 Ų | 126 | 125 Ų | 125 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | 88.4 | 145.3 | 50.2 | 58.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1369 | P | 37.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 129 Ų | 129 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | cis | -123.1 | -172.7 | -38.1 | 30.6 | -8 | 0 | 0 | 0 | 111 | ||||
| 1370 | T | 34.3 | Very low | 34.3 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | -175.8 | 136.1 | 57.1 | -45.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1371 | Q | 32.7 | Very low | 33.7 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | 62.6 | 156.3 | 160.2 | -78.2 | -167.6 | -47.2 | 0 | 0 | 122.3 | ||||
| 1372 | P | 35.4 | Very low | 32.9 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -144.8 | -165.7 | -140.4 | 45.7 | -24.8 | 0 | 0 | 0 | 118.3 | ||||
| 1373 | T | 32.1 | Very low | 32.5 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 72.4 | 141.8 | 162.4 | 45 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1374 | S | 31.1 | Very low | 32.1 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | -158.7 | 149.2 | -4.1 | 44.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1375 | N | 30.9 | Very low | 31.7 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | -24.4 | 149.6 | 174.1 | -45.8 | -15.7 | 0 | 0 | 0 | 121.6 | ||||
| 1376 | T | 31 | Very low | 31.4 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -160.2 | 159.2 | 137.9 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1377 | L | 29.5 | Very low | 31.3 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | 70.4 | 163.8 | 168.6 | -69.2 | 122.2 | 0 | 0 | 0 | 118.4 | ||||
| 1378 | P | 35.9 | Very low | 30.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -138.5 | -172.2 | -33.7 | 29.8 | -7.4 | 0 | 0 | 0 | 115.4 | ||||
| 1379 | Q | 29.9 | Very low | 30.4 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 126.8 | 136 | 135 | -59.7 | -153.1 | -19.7 | 0 | 0 | 121.7 | ||||
| 1380 | T | 31.1 | Very low | 29.9 | Very low | 106 Ų | 106 | 136 Ų | 136 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 66.2 | 110.1 | 139.8 | 52.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1381 | E | 27.2 | Very low | 29.7 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | 68.3 | 128.9 | 113.2 | -67 | -175.7 | 160.5 | 0 | 0 | 125.2 | |||||
| 1382 | T | 29.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | trans | 84.6 | 125.5 | 137.6 | 51.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1383 | T | 28.5 | Very low | 29.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 84.5 | 132.7 | 139.5 | 49.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1384 | C | 27 | Very low | 29.1 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | 93.5 | 126.9 | 143.2 | -98.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1385 | D | 27.4 | Very low | 29 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 57.9 | 105.8 | 145.4 | -57.6 | -39.8 | 0 | 0 | 0 | 121.6 | ||||
| 1386 | S | 28 | Very low | 28.9 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | 39.7 | 121.4 | 116.4 | -164.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1387 | W | 29.4 | Very low | 28.8 | Very low | 252 Ų | 252 | 137.9 Ų | 137.9 | 96% | 0.955 | 75% | 0.751 | S | S | * | * | -162.3 | 169.4 | 112.6 | -99.9 | 27.3 | 0 | 0 | 0 | 109.4 | |||||
| 1388 | S | 25.3 | Very low | 28.8 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -94.8 | 162.3 | -176.5 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1389 | E | 25.2 | Very low | 28.4 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 64.3 | 99.4 | 166.4 | -59.5 | 179.3 | 135.3 | 0 | 0 | 117.8 | ||||
| 1390 | S | 27.8 | Very low | 28.4 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | -176.3 | 140.2 | 126.7 | 35.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1391 | V | 29.6 | Very low | 28.3 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | 23.6 | 118.8 | 144.1 | -177.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1392 | Y | 30.7 | Very low | 28.4 | Very low | 224 Ų | 224 | 141.2 Ų | 141.2 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 133.3 | 165.6 | -78.5 | -83.8 | 0 | 0 | 0 | 112.4 | ||||
| 1393 | P | 30.3 | Very low | 28.3 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | trans | -85.1 | 154.8 | 174 | 34.4 | -34.8 | 0 | 0 | 0 | 112.9 | T1395 | P1393-T1395 PolarHBondContact O-N 3.4Š| ||
| 1394 | I | 25.5 | Very low | 28.4 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -82.7 | 111.6 | 175 | -60.3 | 165.7 | 0 | 0 | 0 | 109.9 | L121 | L121-I1394 HydrophobicContact CD2-CD1 3.75Š| ||
| 1395 | T | 28.9 | Very low | 28.7 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | trans | -142.1 | 93.6 | 168.6 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | P1393 | P1393-T1395 PolarHBondContact O-N 3.4Š| ||
| 1396 | S | 28.7 | Very low | 28.9 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 72.2 | 92.7 | 92.1 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1397 | E | 29.4 | Very low | 29.1 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | -66.4 | 140.5 | 171.2 | -172 | 178.3 | -131.6 | 0 | 0 | 111.3 | Q1399 | E1397-Q1399 PolarHBondContact O-N 3.04Å; E1397-Q1399 VanDerWaalsContact O-N 3.09Å | ||
| 1398 | P | 30.6 | Very low | 29.1 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -76.9 | 97.2 | -175.9 | 30 | -35.2 | 0 | 0 | 0 | 112.7 | T1400 | P1398-T1400 VanDerWaalsContact C-N 3.3Å; P1398-T1400 PolarHBondContact O-N 3.36Å | ||
| 1399 | Q | 27.6 | Very low | 29.4 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -69 | 82 | 166.5 | -73.5 | -167.9 | -10.6 | 0 | 0 | 111.8 | E1397 V1401 | E1397-Q1399 PolarHBondContact O-N 3.04Å; E1397-Q1399 VanDerWaalsContact O-N 3.09Å; Q1399-V1401 PolarHBondContact O-N 3.42Å | ||
| 1400 | T | 30.2 | Very low | 29.8 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -94.5 | 76.5 | 172.4 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | P1398 | P1398-T1400 VanDerWaalsContact C-N 3.3Å; P1398-T1400 PolarHBondContact O-N 3.36Å | ||
| 1401 | V | 28.5 | Very low | 30 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 60% | 0.6 | 75% | 0.753 | S | S | * | * | trans | 45.5 | 97.2 | 134.5 | -175.4 | 0 | 0 | 0 | 0 | 117.2 | Q1399 Q1403 | Q1399-V1401 PolarHBondContact O-N 3.42Å; V1401-Q1403 HydrophobicContact CG1-CB 3.57Å; V1401-Q1403 HydrophobicContact CG1-CG 3.67Å; V1401-Q1403 VanDerWaalsContact CG1-N 3.35Å | ||
| 1402 | R | 28.6 | Very low | 30.2 | Very low | 242 Ų | 242 | 140.8 Ų | 140.8 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | -84.1 | 93.1 | 138 | -90.2 | -165.6 | 174.2 | -149.6 | 0.7 | 108.6 | I1404 | R1402-I1404 PolarHBondContact O-N 3.05Š| ||
| 1403 | Q | 28 | Very low | 30.2 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -81.6 | 110.2 | 165.4 | -112.4 | 176.1 | -22.5 | 0 | 0 | 108.5 | V1401 | V1401-Q1403 HydrophobicContact CG1-CB 3.57Å; V1401-Q1403 HydrophobicContact CG1-CG 3.67Å; V1401-Q1403 VanDerWaalsContact CG1-N 3.35Å | ||
| 1404 | I | 30.7 | Very low | 30.6 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -106.5 | 114.7 | 149.5 | -67.7 | 178.3 | 0 | 0 | 0 | 105.4 | R1402 | R1402-I1404 PolarHBondContact O-N 3.05Š| ||
| 1405 | I | 31.7 | Very low | 30.7 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 67% | 0.672 | 76% | 0.758 | S | S | * | * | trans | -85.3 | 126.2 | 172.1 | -64.5 | 166.1 | 0 | 0 | 0 | 106.7 | ||||
| 1406 | E | 31.8 | Very low | 30.9 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -158.1 | 153.8 | 130.2 | -108.6 | -178.4 | -173.3 | 0 | 0 | 110.1 | ||||
| 1407 | P | 33.4 | Very low | 30.9 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -93.6 | 156.2 | -158.7 | 36.1 | -36.4 | 0 | 0 | 0 | 114.4 | ||||
| 1408 | S | 28.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -68.3 | 133.4 | 159.5 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1409 | N | 32.4 | Very low | 31.2 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -166.5 | 146.7 | 141.1 | -102.2 | -3.3 | 0 | 0 | 0 | 113.4 | ||||
| 1410 | D | 33.1 | Very low | 31.3 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 61.8 | 114.6 | 150.5 | -60.2 | -42.5 | 0 | 0 | 0 | 123.9 | ||||
| 1411 | A | 31.7 | Very low | 31.5 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | 91 | 153.3 | 129.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1412 | P | 35 | Very low | 31.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -137.8 | 179.8 | -147.9 | 39.7 | -19 | 0 | 0 | 0 | 118 | ||||
| 1413 | V | 31 | Very low | 31.9 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | 60.2 | 168.8 | 166 | -99.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1414 | P | 36.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | cis | -132 | 174.4 | -21.4 | 33.5 | -14.4 | 0 | 0 | 0 | 115.6 | ||||
| 1415 | N | 29 | Very low | 31.9 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 33.7 | 133.6 | 147.4 | -63.4 | -8.9 | 0 | 0 | 0 | 122.6 | ||||
| 1416 | I | 33 | Very low | 31.7 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | -145.5 | 143.6 | 113.8 | -102.9 | 156 | 0 | 0 | 0 | 109.3 | |||||
| 1417 | T | 29 | Very low | 31.6 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | trans | -119.4 | 134.2 | -170.6 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | T1419 | T1417-T1419 HydrophobicContact CG2-CG2 4.04Š| ||
| 1418 | V | 32.3 | Very low | 31.4 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 87% | 0.873 | 73% | 0.728 | S | S | * | * | trans | -136.6 | 95.7 | 153.2 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1419 | T | 32.3 | Very low | 31.8 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 54% | 0.54 | 73% | 0.732 | S | S | . | * | trans | -66.9 | 169.9 | 160.4 | 41.1 | 0 | 0 | 0 | 0 | 111.6 | T1417 | T1417-T1419 HydrophobicContact CG2-CG2 4.04Š| ||
| 1420 | F | 30.1 | Very low | 32 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | cis | -171.7 | -164.3 | 19 | -117.1 | -30.6 | 0 | 0 | 0 | 106.8 | ||||
| 1421 | P | 35.8 | Very low | 31.9 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | cis | -136.2 | 170.6 | -42.5 | 38.8 | -23 | 0 | 0 | 0 | 114.5 | ||||
| 1422 | Q | 31.8 | Very low | 31.8 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | 63 | 154.6 | 141.9 | -74.5 | 161 | -7.9 | 0 | 0 | 119.3 | ||||
| 1423 | N | 32.9 | Very low | 31.6 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | cis | -161.1 | 153.9 | 19 | -136.6 | 9.9 | 0 | 0 | 0 | 112.5 | ||||
| 1424 | V | 28.4 | Very low | 31.4 | Very low | 115 Ų | 115 | 127 Ų | 127 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | trans | 54.2 | 133 | 130.2 | 157.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1425 | V | 29.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | cis | -170.6 | 150.6 | -0.6 | 80.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1426 | T | 28.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | trans | 32.7 | 147.5 | 153.9 | 62 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1427 | H | 30.4 | Very low | 31.1 | Very low | 177 Ų | 177 | 124.2 Ų | 124.2 | 82% | 0.819 | 73% | 0.726 | S | S | * | * | trans | 66.6 | 152 | 144.9 | -69.8 | -49 | 0 | 0 | 0 | 118.2 | ||||
| 1428 | S | 29.4 | Very low | 31.2 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | cis | -162.9 | 170.8 | -10.4 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1429 | D | 35.9 | Very low | 31.3 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -58.3 | 163.3 | 172.2 | -54.2 | -73.3 | 0 | 0 | 0 | 113.6 | ||||
| 1430 | P | 37.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | -136.5 | 145.1 | 119.4 | 37.6 | -28.3 | 0 | 0 | 0 | 114.6 | |||||
| 1431 | S | 30.8 | Very low | 31.5 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -103.7 | 169.4 | 169.2 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1432 | S | 29.3 | Very low | 31.3 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 86.8 | 172.1 | 161.4 | 85 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1433 | V | 30 | Very low | 31.4 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 79.2 | 119.8 | -164.8 | -171.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1434 | V | 27.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | cis | 159.2 | 115.1 | -29.8 | 152.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1435 | V | 29.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | 60.8 | 132 | 147.5 | -177.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1436 | T | 31.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | -165.8 | 121.5 | 72.9 | -39.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1437 | T | 32.3 | Very low | 32 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 50.5 | 127.5 | 149.8 | 63.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1438 | S | 31 | Very low | 32.1 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | 99.3 | 110.9 | 124.3 | -75.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1439 | S | 34.2 | Very low | 32.4 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 106.5 | 123.2 | 127 | -66.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1440 | K | 35.3 | Very low | 32 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 79.1 | 109 | 150.7 | -72 | -172.1 | 175.7 | -178.6 | 0 | 122 | ||||
| 1441 | I | 29.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | 66.6 | 146.4 | 114.8 | -67.8 | 169.1 | 0 | 0 | 0 | 120.8 | |||||
| 1442 | T | 32.8 | Very low | 31.8 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | cis | -177 | 157 | -31.8 | -69.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1443 | Q | 34 | Very low | 31.8 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 81 | 170.1 | 159.8 | -108.4 | 179.1 | 40.8 | 0 | 0 | 117.6 | ||||
| 1444 | P | 31.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | -126 | -175.2 | -108.4 | 42.4 | -25.7 | 0 | 0 | 0 | 114.9 | |||||
| 1445 | I | 32.5 | Very low | 31.9 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | -136.9 | 113.6 | 172.5 | -59.7 | -178.9 | 0 | 0 | 0 | 111.2 | ||||
| 1446 | D | 30.3 | Very low | 32.2 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -85.3 | 160.4 | 154.7 | -79.7 | -63.2 | 0 | 0 | 0 | 110.1 | ||||
| 1447 | S | 36.1 | Very low | 32.3 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -149.6 | 94.9 | 166.4 | -75.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1448 | V | 32 | Very low | 32.3 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -74.1 | 148.2 | 159.7 | -89.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1449 | N | 35.9 | Very low | 32.7 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -134.8 | 137.3 | 159.6 | -113.1 | -26 | 0 | 0 | 0 | 109.1 | ||||
| 1450 | E | 29 | Very low | 32.7 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -122.1 | 138.2 | -168.1 | 174.6 | -179.4 | -142.2 | 0 | 0 | 108.8 | V1452 | E1450-V1452 HydrophobicContact CG-CG2 3.83Š| ||
| 1451 | V | 32.5 | Very low | 32.5 | Very low | 151 Ų | 151 | 147 Ų | 147 | 92% | 0.915 | 78% | 0.777 | S | S | * | * | trans | -135.8 | 130.1 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1452 | V | 31.5 | Very low | 33.5 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 57% | 0.57 | 78% | 0.777 | S | S | * | * | trans | -129.2 | 122.2 | -163.2 | 167.3 | 0 | 0 | 0 | 0 | 109.7 | E1450 | E1450-V1452 HydrophobicContact CG-CG2 3.83Š| ||
| 1453 | F | 28.9 | Very low | 34 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 50.7 | 136.4 | 158 | -77 | -115.9 | 0 | 0 | 0 | 120.7 | ||||
| 1454 | F | 31.9 | Very low | 33.9 | Very low | 208 Ų | 208 | 141.5 Ų | 141.5 | 91% | 0.912 | 77% | 0.771 | S | S | * | * | -146.6 | 140.5 | 122.6 | -125.2 | -80.1 | 0 | 0 | 0 | 110.6 | |||||
| 1455 | E | 27.9 | Very low | 34 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | -127 | 140 | 174.8 | -178.4 | 179.6 | -176 | 0 | 0 | 108.6 | ||||
| 1456 | S | 35.3 | Very low | 33.9 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -159.3 | 153.1 | 168.1 | -166 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1457 | T | 33 | Very low | 33.9 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | trans | -130.9 | 142.4 | -160.8 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1458 | K | 32.7 | Very low | 33.6 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | 60.9 | 127.6 | 152.8 | -64.5 | 169.4 | -180 | 176.7 | 0 | 118.7 | ||||
| 1459 | H | 38.8 | Very low | 33.6 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | -158.6 | -161.3 | 110.8 | -112.8 | -77.4 | 0 | 0 | 0 | 111.1 | |||||
| 1460 | H | 34.3 | Very low | 33.2 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | trans | -139.6 | 159.2 | -140.6 | -164.2 | 32.7 | 0 | 0 | 0 | 114.7 | ||||
| 1461 | T | 31.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | trans | 63.4 | 127.4 | 166.3 | 46.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 1462 | P | 51.4 | Low | 33 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -90 | 178.4 | 157.9 | 42.1 | -36.1 | 0 | 0 | 0 | 110.6 | ||||
| 1463 | P | 42.4 | Very low | 33 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | -154.6 | 175.8 | 89.2 | 38.4 | -17.8 | 0 | 0 | 0 | 117.2 | |||||
| 1464 | S | 32.3 | Very low | 32.9 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | trans | 59.2 | 117.1 | 140.1 | 64.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1465 | T | 33.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | 52.6 | 158.2 | 135.1 | 29 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1466 | E | 29.7 | Very low | 33.2 | Very low | 155 Ų | 155 | 126 Ų | 126 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | cis | -159.1 | 166.5 | 24.4 | -145.4 | 178.6 | -147.3 | 0 | 0 | 114 | ||||
| 1467 | V | 31.2 | Very low | 32.9 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 60% | 0.6 | 73% | 0.726 | S | S | * | * | trans | 39.1 | 120.2 | 156 | -80.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1468 | N | 29.9 | Very low | 32.8 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | 87.8 | 131.1 | 119.5 | -71.3 | -15.4 | 0 | 0 | 0 | 122.4 | |||||
| 1469 | A | 31.1 | Very low | 32.7 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 73% | 0.726 | S | S | * | * | trans | 76.4 | 149.7 | 130.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1470 | C | 27.3 | Very low | 32.3 | Very low | 110 Ų | 110 | 120 Ų | 120 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | cis | -171 | 178.2 | -29.7 | -158.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1471 | T | 29.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | 65.8 | 135.2 | 146.1 | -66 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1472 | V | 29.2 | Very low | 32.5 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 75% | 0.745 | 72% | 0.721 | S | S | * | * | cis | -174.9 | 174.6 | -24 | 92.2 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1473 | A | 30 | Very low | 31.6 | Very low | 80 Ų | 80 | 120.3 Ų | 120.3 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | 65 | 144.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1474 | S | 28.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | cis | 168.3 | 145.4 | 3.2 | -101.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1475 | L | 30.1 | Very low | 31.9 | Very low | 150 Ų | 150 | 120.9 Ų | 120.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | 69 | 152 | 132.6 | -64.3 | 169.6 | 0 | 0 | 0 | 121.1 | ||||
| 1476 | L | 34.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | trans | 72.7 | 137.6 | 161.9 | -61.2 | 142.2 | 0 | 0 | 0 | 116.1 | ||||
| 1477 | S | 29.6 | Very low | 31.9 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 55% | 0.552 | 72% | 0.722 | S | S | * | * | cis | -177.3 | 164.6 | -25.8 | -116.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1478 | D | 30.3 | Very low | 31.9 | Very low | 129 Ų | 129 | 119.8 Ų | 119.8 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | trans | 21.1 | 118.5 | 131.4 | -34.1 | -45.4 | 0 | 0 | 0 | 115.7 | ||||
| 1479 | D | 31.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 118 Ų | 118 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | -179.2 | 139.2 | 68.8 | -104.3 | -28.4 | 0 | 0 | 0 | 113.9 | |||||
| 1480 | N | 29.2 | Very low | 32.6 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | trans | 59.2 | 160.1 | 134.6 | -59.1 | -43.7 | 0 | 0 | 0 | 124.8 | ||||
| 1481 | N | 32.8 | Very low | 32.8 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | 72.1 | 86.2 | 157.7 | -68.5 | -27.8 | 0 | 0 | 0 | 120.4 | ||||
| 1482 | V | 37.4 | Very low | 32.9 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | -21.9 | 134.8 | 128.1 | 177.4 | 0 | 0 | 0 | 0 | 114.1 | V1484 | V1482-V1484 HydrophobicContact CG1-CG2 3.65Š| |||
| 1483 | P | 33.1 | Very low | 32.9 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | -127.3 | 145.3 | 127.9 | 5.8 | 15.7 | 0 | 0 | 0 | 113.3 | |||||
| 1484 | V | 32.7 | Very low | 32.8 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -112.5 | -176.4 | 169.8 | -156.6 | 0 | 0 | 0 | 0 | 107.8 | V1482 | V1482-V1484 HydrophobicContact CG1-CG2 3.65Š| ||
| 1485 | P | 47.8 | Very low | 33 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | -82.5 | -174.2 | -98.1 | 41.3 | -29.3 | 0 | 0 | 0 | 114 | V1487 | P1485-V1487 HydrophobicContact CB-CG2 4.42Å; P1485-V1487 HydrophobicContact CG-CG2 4.01Å | |||
| 1486 | P | 34.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | -138 | 143.3 | 105.4 | 37.9 | -26.7 | 0 | 0 | 0 | 111.6 | |||||
| 1487 | V | 30.7 | Very low | 33.8 | Very low | 119 Ų | 119 | 121 Ų | 121 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | 58.9 | 93.5 | 50 | -172.7 | 0 | 0 | 0 | 0 | 113.7 | P1485 | P1485-V1487 HydrophobicContact CB-CG2 4.42Å; P1485-V1487 HydrophobicContact CG-CG2 4.01Å | |||
| 1488 | S | 30.5 | Very low | 34.4 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -176.6 | 126.2 | 134.1 | -80.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1489 | S | 37.3 | Very low | 34.5 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -80.7 | 169.5 | 161 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1490 | P | 38.6 | Very low | 34.7 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | -134.7 | 134.5 | 116.7 | 35.8 | -27.3 | 0 | 0 | 0 | 114.1 | |||||
| 1491 | S | 31.3 | Very low | 34.7 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -82.3 | 147.4 | 157.2 | 53.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1492 | V | 30.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -169.7 | 106 | 156.5 | 129.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1493 | T | 29 | Very low | 34.6 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | 51.1 | 121.2 | 97.4 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1494 | D | 29.2 | Very low | 34.8 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | cis | -175.8 | 176.8 | 44.7 | -96.2 | -34 | 0 | 0 | 0 | 107.5 | ||||
| 1495 | T | 33.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | cis | -157.9 | 154.8 | 2.6 | 5.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1496 | N | 32.4 | Very low | 34.4 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -50.5 | -178 | 154.9 | -81.2 | -54.8 | 0 | 0 | 0 | 114.9 | ||||
| 1497 | P | 47.9 | Very low | 34.6 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -132.1 | -128.8 | -45.5 | 38.5 | -17.5 | 0 | 0 | 0 | 108 | ||||
| 1498 | P | 43.3 | Very low | 35 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | cis | -131.5 | 177.4 | -32.1 | 34.7 | -14.7 | 0 | 0 | 0 | 116.2 | ||||
| 1499 | E | 32.5 | Very low | 35.5 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | 33.3 | 131 | 139.8 | -61.3 | 168.9 | 170.3 | 0 | 0 | 122.5 | ||||
| 1500 | L | 34.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | 172.7 | 152.2 | 104.5 | -106.1 | 93.3 | 0 | 0 | 0 | 108.4 | |||||
| 1501 | S | 30.4 | Very low | 35.6 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 54% | 0.538 | 72% | 0.724 | S | S | . | * | cis | 176.6 | 164.1 | -33.7 | 53.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1502 | T | 35.8 | Very low | 35.8 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | 67.5 | 154.1 | 165.7 | 64.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1503 | S | 32.3 | Very low | 36 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | cis | -175.9 | -177.2 | -48.2 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1504 | N | 36.4 | Very low | 36.4 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | trans | 81 | 115.7 | 170.3 | -56.2 | 39.1 | 0 | 0 | 0 | 113.4 | ||||
| 1505 | E | 35.8 | Very low | 36.8 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | 75.4 | 141.7 | 67.5 | -68.5 | 175 | 139.7 | 0 | 0 | 112.1 | |||||
| 1506 | E | 37.2 | Very low | 37 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -145.2 | 160.4 | 20.8 | -61.1 | -178.5 | 66 | 0 | 0 | 114.5 | ||||
| 1507 | N | 38.8 | Very low | 37.3 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 65% | 0.647 | 75% | 0.751 | S | S | * | * | 54.3 | 145.8 | 128.1 | -69.4 | -26.8 | 0 | 0 | 0 | 124.1 | |||||
| 1508 | I | 38.7 | Very low | 36.6 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | cis | -171.8 | 163.4 | -16.5 | -141.3 | 178.5 | 0 | 0 | 0 | 112.4 | ||||
| 1509 | V | 39.9 | Very low | 36.1 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | trans | 72.1 | 117.2 | 151.7 | 162.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1510 | Q | 36.3 | Very low | 36.4 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | 44.2 | 144 | 130 | -49.6 | 164.4 | -9.8 | 0 | 0 | 121.8 | |||||
| 1511 | G | 41.2 | Very low | 36.6 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | cis | 138 | 128.4 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1512 | E | 36.3 | Very low | 37.2 | Very low | 274 Ų | 274 | 142.2 Ų | 142.2 | 100% | 1.28 | 78% | 0.775 | S | S | * | * | trans | -148.5 | 0 | 153.1 | -159.9 | 166.5 | -135.1 | 0 | 0 | 108 |
Retrieved 1,512 of 1,512 residues in 238.3 ms
(Link to these results)