| 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 | 42.5 | Very low | 65.9 | Low | 216 Ų | 216 | 106.1 Ų | 106.1 | 100% | 1.064 | 53% | 0.526 | S | S | * | . | 0 | 96.7 | 0 | -79 | -176.2 | 155.5 | 0 | 0 | 106.7 | |||||
| 2 | A | 48.8 | Very low | 67 | Low | 55 Ų | 55 | 110.3 Ų | 110.3 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | trans | -58.5 | 137.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V4 | A2-V4 VanDerWaalsContact C-N 3.28Å; A2-V4 PolarHBondContact O-N 2.78Å | ||
| 3 | D | 54.5 | Low | 68.1 | Low | 159 Ų | 159 | 103.6 Ų | 103.6 | 85% | 0.85 | 51% | 0.513 | S | S | * | . | trans | -63.1 | 82.7 | -178.7 | -78.1 | -42.7 | 0 | 0 | 0 | 110.7 | K5 | D3-K5 PolarHBondContact O-N 2.83Š| ||
| 4 | V | 58.7 | Low | 69.1 | Low | 34 Ų | 34 | 97.2 Ų | 97.2 | 21% | 0.206 | 48% | 0.481 | C | S | . | . | trans | -65.1 | 107.6 | 168.2 | -177.6 | 0 | 0 | 0 | 0 | 106.7 | A2 N6 K7 Y10 L42 | A2-V4 VanDerWaalsContact C-N 3.28Å; A2-V4 PolarHBondContact O-N 2.78Å; V4-N6 PolarHBondContact O-N 3.36Å; V4-N6 VanDerWaalsContact O-N 3.14Å; V4-K7 PolarHBondContact O-N 3.25Å; V4-Y10 HydrophobicContact CG1-CD1 3.84Å; V4-Y10 HydrophobicContact CG1-CD2 4.32Å; V4-Y10 HydrophobicContact CG1-CG 3.66Å; V4-L42 HydrophobicContact CB-CD2 4.43Å; V4-L42 HydrophobicContact CG1-CD2 3.89Å; V4-L42 HydrophobicContact CG2-CD2 3.78Å | ||
| 5 | K | 58.8 | Low | 69.7 | Low | 117 Ų | 117 | 93.6 Ų | 93.6 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 124.7 | 173.6 | -98.9 | -179.5 | -176.7 | 153.9 | 0 | 108.1 | D3 Y40 E41 | D3-K5 PolarHBondContact O-N 2.83Å; K5-Y40 WeakPolarHBondContact O-CD1 3.35Å; K5-E41 WeakPolarHBondContact CD-OE2 3.45Å; K5-E41 WeakPolarHBondContact CE-OE2 3.45Å; K5-E41 IonicContact NZ-OE1 2.78Å; K5-E41 PolarHBondContact NZ-OE1 2.78Å; K5-E41 IonicContact NZ-OE2 2.84Å; K5-E41 PolarHBondContact NZ-OE2 3.15Å |
| 6 | N | 72.7 | Confident | 70.3 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 53.6 | 176.1 | -120.8 | -2.3 | 0 | 0 | 0 | 113.6 | V4 K8 E9 Y10 | V4-N6 PolarHBondContact O-N 3.36Å; V4-N6 VanDerWaalsContact O-N 3.14Å; N6-K8 PolarHBondContact O-N 3.37Å; N6-E9 HydrophobicContact CB-CB 4.17Å; N6-E9 HydrophobicContact CB-CG 4.36Å; N6-E9 PolarHBondContact ND2-OE1 3.04Å; N6-E9 VanDerWaalsContact ND2-OE1 3.16Å; N6-E9 PolarHBondContact ND2-OE2 3.43Å; N6-E9 WeakPolarHBondContact O-CA 3.48Å; N6-E9 WeakPolarHBondContact O-CB 3.34Å; N6-E9 PolarHBondContact O-N 3.14Å; N6-Y10 PolarHBondContact O-N 3Å |
| 7 | K | 74.5 | Confident | 71 | Confident | 116 Ų | 116 | 86.4 Ų | 86.4 | 50% | 0.504 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -40.8 | -41.7 | -179.5 | -171 | 177.7 | 178.8 | -177.8 | 0 | 115.3 | V4 Y10 E11 | V4-K7 PolarHBondContact O-N 3.25Å; K7-Y10 PolarHBondContact O-N 2.94Å; K7-E11 WeakPolarHBondContact CE-OE1 3.33Å; K7-E11 WeakPolarHBondContact O-CB 3.46Å; K7-E11 WeakPolarHBondContact O-CG 3.48Å; K7-E11 PolarHBondContact O-N 3.12Å |
| 8 | K | 76.6 | Confident | 71.4 | Confident | 170 Ų | 170 | 82.3 Ų | 82.3 | 74% | 0.739 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 176.4 | -83.9 | -173.1 | 175.3 | -176.3 | 0 | 113.2 | N6 K12 | N6-K8 PolarHBondContact O-N 3.37Å; K8-K12 WeakPolarHBondContact O-CG 3.35Å; K8-K12 PolarHBondContact O-N 2.74Å; K8-K12 VanDerWaalsContact O-N 3.16Å |
| 9 | E | 79.5 | Confident | 71.6 | Confident | 102 Ų | 102 | 83.3 Ų | 83.3 | 48% | 0.477 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.9 | -39 | 175.1 | -68.6 | -177.8 | 174.9 | 0 | 0 | 111.1 | N6 K12 A13 Y40 | N6-E9 HydrophobicContact CB-CB 4.17Å; N6-E9 HydrophobicContact CB-CG 4.36Å; N6-E9 PolarHBondContact ND2-OE1 3.04Å; N6-E9 VanDerWaalsContact ND2-OE1 3.16Å; N6-E9 PolarHBondContact ND2-OE2 3.43Å; N6-E9 WeakPolarHBondContact O-CA 3.48Å; N6-E9 WeakPolarHBondContact O-CB 3.34Å; N6-E9 PolarHBondContact O-N 3.14Å; E9-K12 PolarHBondContact O-N 3.16Å; E9-A13 VanDerWaalsContact O-CB 3.31Å; E9-A13 WeakPolarHBondContact O-CB 3.3Å; E9-A13 PolarHBondContact O-N 3.28Å; E9-Y40 HydrophobicContact CB-CE1 3.88Å; E9-Y40 PolarHBondContact O-OH 2.94Å |
| 10 | Y | 79.7 | Confident | 71.9 | Confident | 11 Ų | 11 | 83.7 Ų | 83.7 | 4% | 0.043 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 173.8 | 166.3 | -105.1 | 0 | 0 | 0 | 112 | V4 N6 K7 K12 A13 L14 Y40 L42 | V4-Y10 HydrophobicContact CG1-CD1 3.84Å; V4-Y10 HydrophobicContact CG1-CD2 4.32Å; V4-Y10 HydrophobicContact CG1-CG 3.66Å; N6-Y10 PolarHBondContact O-N 3Å; K7-Y10 PolarHBondContact O-N 2.94Å; Y10-K12 VanDerWaalsContact C-N 3.31Å; Y10-K12 PolarHBondContact O-N 3.35Å; Y10-A13 PolarHBondContact O-N 3.07Å; Y10-L14 HydrophobicContact CE1-CD2 4.34Å; Y10-L14 VanDerWaalsContact O-CB 3.27Å; Y10-L14 WeakPolarHBondContact O-CB 3.18Å; Y10-L14 PolarHBondContact O-N 2.83Å; Y10-Y40 AromaticContact CD2-CD2 3.86Å; Y10-Y40 HydrophobicContact CD2-CD2 3.86Å; Y10-Y40 AromaticContact CD2-CG 3.92Å; Y10-Y40 HydrophobicContact CD2-CG 3.92Å; Y10-Y40 HydrophobicContact CG-CG 4.37Å; Y10-L42 HydrophobicContact CD2-CD1 4.35Å; Y10-L42 HydrophobicContact CD2-CD2 4.18Å; Y10-L42 HydrophobicContact CE2-CD1 3.53Å; Y10-L42 HydrophobicContact CE2-CD2 3.86Å; Y10-L42 HydrophobicContact CE2-CG 4.22Å |
| 11 | E | 79 | Confident | 72.2 | Confident | 87 Ų | 87 | 80.8 Ų | 80.8 | 41% | 0.407 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 178.4 | -75.9 | 174.9 | 179 | 0 | 0 | 111.7 | K7 A15 | K7-E11 WeakPolarHBondContact CE-OE1 3.33Å; K7-E11 WeakPolarHBondContact O-CB 3.46Å; K7-E11 WeakPolarHBondContact O-CG 3.48Å; K7-E11 PolarHBondContact O-N 3.12Å; E11-A15 WeakPolarHBondContact O-CB 3.47Å; E11-A15 PolarHBondContact O-N 3.06Å |
| 12 | K | 78.3 | Confident | 73.3 | Confident | 156 Ų | 156 | 72 Ų | 72 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.1 | -45.3 | 173.1 | -76.3 | -175.9 | 177.1 | -168.2 | 0 | 112.4 | K8 E9 Y10 A15 A16 | K8-K12 WeakPolarHBondContact O-CG 3.35Å; K8-K12 PolarHBondContact O-N 2.74Å; K8-K12 VanDerWaalsContact O-N 3.16Å; E9-K12 PolarHBondContact O-N 3.16Å; Y10-K12 VanDerWaalsContact C-N 3.31Å; Y10-K12 PolarHBondContact O-N 3.35Å; K12-A15 PolarHBondContact O-N 3.49Å; K12-A16 WeakPolarHBondContact O-CB 3.37Å; K12-A16 PolarHBondContact O-N 3.03Å |
| 13 | A | 81.8 | Confident | 74.2 | Confident | 24 Ų | 24 | 75 Ų | 75 | 20% | 0.198 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E9 Y10 A16 F17 L36 Y40 | E9-A13 VanDerWaalsContact O-CB 3.31Å; E9-A13 WeakPolarHBondContact O-CB 3.3Å; E9-A13 PolarHBondContact O-N 3.28Å; Y10-A13 PolarHBondContact O-N 3.07Å; A13-A16 PolarHBondContact O-N 2.98Å; A13-F17 WeakPolarHBondContact O-CB 3.44Å; A13-F17 PolarHBondContact O-N 3.01Å; A13-L36 HydrophobicContact CB-CD2 3.85Å; A13-Y40 HydrophobicContact CB-CE2 3.64Å; A13-Y40 VanDerWaalsContact CB-OH 3.31Å; A13-Y40 WeakPolarHBondContact CB-OH 2.84Å |
| 14 | L | 82.3 | Confident | 75.1 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 173.6 | 176.2 | 56.2 | 0 | 0 | 0 | 111.2 | Y10 A16 F17 I18 L36 L50 K53 V54 | Y10-L14 HydrophobicContact CE1-CD2 4.34Å; Y10-L14 VanDerWaalsContact O-CB 3.27Å; Y10-L14 WeakPolarHBondContact O-CB 3.18Å; Y10-L14 PolarHBondContact O-N 2.83Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 2.8Å; L14-F17 PolarHBondContact O-N 2.89Å; L14-I18 HydrophobicContact CD1-CD1 3.59Å; L14-I18 HydrophobicContact CD1-CG1 3.95Å; L14-I18 HydrophobicContact CG-CD1 3.88Å; L14-I18 WeakPolarHBondContact O-CB 3.4Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 2.89Å; L14-L36 HydrophobicContact CD1-CD1 3.8Å; L14-L50 HydrophobicContact CD1-CD1 3.22Å; L14-L50 HydrophobicContact CD2-CD1 4.12Å; L14-L50 HydrophobicContact CG-CD1 4.26Å; L14-K53 HydrophobicContact CD2-CD 4.1Å; L14-V54 HydrophobicContact CD1-CG2 4.03Å |
| 15 | A | 77.7 | Confident | 75.6 | Confident | 43 Ų | 43 | 72.3 Ų | 72.3 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E11 K12 K19 | E11-A15 WeakPolarHBondContact O-CB 3.47Å; E11-A15 PolarHBondContact O-N 3.06Å; K12-A15 PolarHBondContact O-N 3.49Å; A15-K19 WeakPolarHBondContact O-CB 3.32Å; A15-K19 PolarHBondContact O-N 2.98Å |
| 16 | A | 79.2 | Confident | 76.6 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.9 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K12 A13 L14 K19 E20 | K12-A16 WeakPolarHBondContact O-CB 3.37Å; K12-A16 PolarHBondContact O-N 3.03Å; A13-A16 PolarHBondContact O-N 2.98Å; L14-A16 VanDerWaalsContact C-N 3.33Å; L14-A16 PolarHBondContact O-N 2.8Å; A16-K19 WeakPolarHBondContact O-CA 3.31Å; A16-K19 WeakPolarHBondContact O-CB 3.37Å; A16-K19 PolarHBondContact O-N 3.38Å; A16-K19 VanDerWaalsContact O-N 3.12Å; A16-E20 PolarHBondContact O-N 3.3Å |
| 17 | F | 81.7 | Confident | 77.1 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.7 | -177.3 | -99.2 | 0 | 0 | 0 | 111.9 | A13 L14 K19 E20 K21 V27 E31 L32 R35 L36 | A13-F17 WeakPolarHBondContact O-CB 3.44Å; A13-F17 PolarHBondContact O-N 3.01Å; L14-F17 PolarHBondContact O-N 2.89Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 3.04Å; F17-E20 PolarHBondContact O-N 3.03Å; F17-K21 HydrophobicContact CE1-CG 4.26Å; F17-K21 HydrophobicContact CE2-CG 4.24Å; F17-K21 HydrophobicContact CZ-CG 4.12Å; F17-K21 PolarHBondContact O-N 2.79Å; F17-V27 HydrophobicContact CE1-CG2 3.79Å; F17-V27 HydrophobicContact CZ-CG2 3.46Å; F17-V27 VanDerWaalsContact CZ-CG2 3.46Å; F17-E31 HydrophobicContact CE2-CG 4.15Å; F17-E31 HydrophobicContact CZ-CG 4.29Å; F17-L32 HydrophobicContact CD1-CD2 4.27Å; F17-L32 HydrophobicContact CE1-CD2 3.58Å; F17-L32 HydrophobicContact CE1-CG 3.76Å; F17-L32 HydrophobicContact CZ-CD2 4.24Å; F17-L32 HydrophobicContact CZ-CG 4.05Å; F17-R35 HydrophobicContact CD2-CB 4.12Å; F17-R35 HydrophobicContact CE2-CB 3.95Å; F17-R35 HydrophobicContact CE2-CG 4.18Å; F17-L36 HydrophobicContact CB-CD1 3.95Å; F17-L36 HydrophobicContact CB-CD2 4.37Å; F17-L36 HydrophobicContact CB-CG 4.41Å; F17-L36 HydrophobicContact CD1-CD1 3.54Å; F17-L36 HydrophobicContact CD1-CG 4.47Å; F17-L36 HydrophobicContact CD2-CD1 4.5Å; F17-L36 HydrophobicContact CE1-CD1 4.1Å; F17-L36 HydrophobicContact CG-CD1 3.74Å; F17-L36 HydrophobicContact CG-CG 4.27Å |
| 18 | I | 78.4 | Confident | 77.7 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 172.8 | -71.3 | 171.8 | 0 | 0 | 0 | 110 | L14 E20 K21 K22 V54 A57 | L14-I18 HydrophobicContact CD1-CD1 3.59Å; L14-I18 HydrophobicContact CD1-CG1 3.95Å; L14-I18 HydrophobicContact CG-CD1 3.88Å; L14-I18 WeakPolarHBondContact O-CB 3.4Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 2.89Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.38Å; I18-K21 PolarHBondContact O-N 3.47Å; I18-K22 HydrophobicContact CG2-CD 3.74Å; I18-K22 HydrophobicContact CG2-CG 3.98Å; I18-K22 WeakPolarHBondContact O-CB 3.45Å; I18-K22 WeakPolarHBondContact O-CD 3.27Å; I18-K22 WeakPolarHBondContact O-CG 3.37Å; I18-K22 PolarHBondContact O-N 3.14Å; I18-V54 HydrophobicContact CD1-CG2 4.25Å; I18-V54 HydrophobicContact CG1-CG2 4.2Å; I18-A57 HydrophobicContact CD1-CB 4.16Å; I18-A57 HydrophobicContact CG2-CB 3.8Å |
| 19 | K | 75.2 | Confident | 78 | Confident | 100 Ų | 100 | 59 Ų | 59 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 176.6 | -172.9 | 178.6 | 179.5 | 174.3 | 0 | 112.1 | A15 A16 F17 D245 | A15-K19 WeakPolarHBondContact O-CB 3.32Å; A15-K19 PolarHBondContact O-N 2.98Å; A16-K19 WeakPolarHBondContact O-CA 3.31Å; A16-K19 WeakPolarHBondContact O-CB 3.37Å; A16-K19 PolarHBondContact O-N 3.38Å; A16-K19 VanDerWaalsContact O-N 3.12Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 3.04Å; K19-D245 IonicContact NZ-OD2 3.69Å |
| 20 | E | 77.9 | Confident | 78.1 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 178.5 | -175.4 | -171.5 | 151.6 | 0 | 0 | 112.9 | A16 F17 I18 P23 R35 | A16-E20 PolarHBondContact O-N 3.3Å; F17-E20 PolarHBondContact O-N 3.03Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.38Å; E20-P23 WeakPolarHBondContact O-CD 3.32Å; E20-R35 IonicContact OE1-CZ 2.83Å; E20-R35 IonicContact OE1-NH1 2.73Å; E20-R35 PolarHBondContact OE1-NH1 3Å; E20-R35 IonicContact OE1-NH2 3.56Å; E20-R35 PolarHBondContact OE1-NH2 2.93Å; E20-R35 IonicContact OE2-CZ 3.57Å; E20-R35 IonicContact OE2-NH1 3.74Å; E20-R35 PolarHBondContact OE2-NH1 3.16Å |
| 21 | K | 78.1 | Confident | 78.3 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 10% | 0.096 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -89.4 | -15.1 | -173.9 | -62.4 | -65.7 | 171.7 | 170.8 | 0 | 114.5 | F17 I18 L24 G25 V27 E31 V59 | F17-K21 HydrophobicContact CE1-CG 4.26Å; F17-K21 HydrophobicContact CE2-CG 4.24Å; F17-K21 HydrophobicContact CZ-CG 4.12Å; F17-K21 PolarHBondContact O-N 2.79Å; I18-K21 PolarHBondContact O-N 3.47Å; K21-L24 HydrophobicContact CD-CD1 3.92Å; K21-L24 WeakPolarHBondContact O-CB 3.33Å; K21-L24 PolarHBondContact O-N 3.25Å; K21-G25 PolarHBondContact O-N 3.41Å; K21-G25 VanDerWaalsContact O-N 3.15Å; K21-V27 HydrophobicContact CB-CB 4.48Å; K21-V27 HydrophobicContact CD-CG2 4.32Å; K21-V27 HydrophobicContact CG-CB 4.44Å; K21-V27 HydrophobicContact CG-CG2 4.1Å; K21-E31 WeakPolarHBondContact CE-OE1 3.31Å; K21-E31 VanDerWaalsContact CE-OE2 3.26Å; K21-E31 WeakPolarHBondContact CE-OE2 3.44Å; K21-E31 IonicContact NZ-OE1 3.88Å; K21-E31 PolarHBondContact NZ-OE1 3.1Å; K21-E31 IonicContact NZ-OE2 3.31Å; K21-E31 PolarHBondContact NZ-OE2 3.48Å; K21-V59 HydrophobicContact CB-CG1 4.15Å |
| 22 | K | 66.8 | Low | 78.4 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 14% | 0.135 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -50.8 | -48.4 | 175.7 | -95.7 | 173.5 | 169.5 | -169.9 | 0 | 114.9 | I18 L24 G25 A57 V59 | I18-K22 HydrophobicContact CG2-CD 3.74Å; I18-K22 HydrophobicContact CG2-CG 3.98Å; I18-K22 WeakPolarHBondContact O-CB 3.45Å; I18-K22 WeakPolarHBondContact O-CD 3.27Å; I18-K22 WeakPolarHBondContact O-CG 3.37Å; I18-K22 PolarHBondContact O-N 3.14Å; K22-L24 PolarHBondContact O-N 2.8Å; K22-G25 PolarHBondContact O-N 3.46Å; K22-A57 WeakPolarHBondContact CE-O 3.42Å; K22-V59 HydrophobicContact CB-CG2 4.47Å; K22-V59 HydrophobicContact CG-CG2 3.75Å |
| 23 | P | 66.3 | Low | 78.6 | Confident | 118 Ų | 118 | 49.7 Ų | 49.7 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -61.9 | -27.3 | 178.1 | -21.5 | 33 | 0 | 0 | 0 | 113.8 | E20 | E20-P23 WeakPolarHBondContact O-CD 3.32Š|
| 24 | L | 72.9 | Confident | 78.7 | Confident | 113 Ų | 113 | 53.7 Ų | 53.7 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -80.8 | -22.7 | 177.5 | -72.4 | 145.5 | 0 | 0 | 0 | 111.9 | K21 K22 Q26 | K21-L24 HydrophobicContact CD-CD1 3.92Å; K21-L24 WeakPolarHBondContact O-CB 3.33Å; K21-L24 PolarHBondContact O-N 3.25Å; K22-L24 PolarHBondContact O-N 2.8Å; L24-Q26 PolarHBondContact O-N 3.32Å |
| 25 | G | 70.5 | Confident | 78.7 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 69.3 | -8.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K21 K22 S60 | K21-G25 PolarHBondContact O-N 3.41Å; K21-G25 VanDerWaalsContact O-N 3.15Å; K22-G25 PolarHBondContact O-N 3.46Å; G25-S60 PolarHBondContact O-N 2.75Å; G25-S60 PolarHBondContact O-OG 2.71Å |
| 26 | Q | 79 | Confident | 78.9 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 153.5 | -179.4 | 66.4 | -176.3 | 12.3 | 0 | 0 | 111.3 | L24 S60 V62 | L24-Q26 PolarHBondContact O-N 3.32Å; Q26-S60 CarbonylContact C-O 3.52Å; Q26-S60 VanDerWaalsContact CA-O 3.28Å; Q26-S60 WeakPolarHBondContact CA-O 3.12Å; Q26-V62 HydrophobicContact CB-CG1 4.4Å; Q26-V62 HydrophobicContact CB-CG2 4.13Å |
| 27 | V | 84.2 | Confident | 79 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136.1 | 177.3 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | F17 K21 E31 L32 V54 V59 S60 V61 V62 | F17-V27 HydrophobicContact CE1-CG2 3.79Å; F17-V27 HydrophobicContact CZ-CG2 3.46Å; F17-V27 VanDerWaalsContact CZ-CG2 3.46Å; K21-V27 HydrophobicContact CB-CB 4.48Å; K21-V27 HydrophobicContact CD-CG2 4.32Å; K21-V27 HydrophobicContact CG-CB 4.44Å; K21-V27 HydrophobicContact CG-CG2 4.1Å; V27-E31 HydrophobicContact CG2-CB 4.33Å; V27-L32 HydrophobicContact CG1-CD1 3.49Å; V27-L32 VanDerWaalsContact CG1-CD1 3.49Å; V27-L32 HydrophobicContact CG1-CG 4.03Å; V27-L32 HydrophobicContact CG2-CD1 4.47Å; V27-L32 HydrophobicContact CG2-CG 4.21Å; V27-V54 HydrophobicContact CG1-CG1 4.01Å; V27-V59 HydrophobicContact CB-CG1 3.98Å; V27-V59 HydrophobicContact CG1-CG1 3.76Å; V27-S60 PolarHBondContact N-O 2.82Å; V27-V61 HydrophobicContact CG1-CG2 4.04Å; V27-V61 CarbonylContact O-C 3.57Å; V27-V61 WeakPolarHBondContact O-CA 3.26Å; V27-V62 WeakPolarHBondContact O-CG2 3.35Å; V27-V62 PolarHBondContact O-N 2.99Å |
| 28 | V | 86.2 | Confident | 79 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 136.2 | 177.6 | -177 | 0 | 0 | 0 | 0 | 109.3 | D30 E31 L32 V62 | V28-D30 HydrophobicContact CG1-CB 4.37Å; V28-D30 PolarHBondContact O-N 3.12Å; V28-E31 WeakPolarHBondContact O-CA 3.28Å; V28-E31 WeakPolarHBondContact O-CB 3.45Å; V28-E31 PolarHBondContact O-N 3.31Å; V28-L32 PolarHBondContact O-N 3.24Å; V28-V62 CarbonylContact C-O 3.36Å; V28-V62 VanDerWaalsContact CA-O 3.31Å; V28-V62 WeakPolarHBondContact CA-O 3.31Å; V28-V62 HydrophobicContact CG2-CG2 4.49Å |
| 29 | Y | 83.5 | Confident | 79.2 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 26% | 0.263 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.3 | -39.6 | -179.8 | 177.8 | -94.2 | 0 | 0 | 0 | 113.3 | E31 L32 T33 M47 I51 V61 V62 A71 | Y29-E31 VanDerWaalsContact C-N 3.27Å; Y29-E31 PolarHBondContact O-N 2.89Å; Y29-L32 WeakPolarHBondContact O-CB 3.19Å; Y29-L32 PolarHBondContact O-N 2.98Å; Y29-T33 VanDerWaalsContact CE1-OG1 3.28Å; Y29-T33 WeakPolarHBondContact CE1-OG1 3.49Å; Y29-T33 PolarHBondContact O-N 3.4Å; Y29-T33 PolarHBondContact O-OG1 2.89Å; Y29-M47 HydrophobicContact CD2-CE 3.92Å; Y29-M47 HydrophobicContact CE2-CE 3.24Å; Y29-M47 HydrophobicContact CE2-CG 4.43Å; Y29-I51 HydrophobicContact CD2-CD1 4.48Å; Y29-I51 HydrophobicContact CE2-CD1 4.09Å; Y29-V61 HydrophobicContact CD2-CG1 4.17Å; Y29-V62 PolarHBondContact N-O 2.95Å; Y29-A71 HydrophobicContact CD2-CB 3.76Å; Y29-A71 HydrophobicContact CE2-CB 3.13Å |
| 30 | D | 82.3 | Confident | 79.6 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.3 | -32 | 178.6 | -67.3 | -12.2 | 0 | 0 | 0 | 112 | V28 T33 N34 | V28-D30 HydrophobicContact CG1-CB 4.37Å; V28-D30 PolarHBondContact O-N 3.12Å; D30-T33 PolarHBondContact O-N 2.9Å; D30-N34 VanDerWaalsContact O-CB 3.3Å; D30-N34 WeakPolarHBondContact O-CB 3.47Å; D30-N34 PolarHBondContact O-N 3.39Å; D30-N34 PolarHBondContact O-ND2 3.33Å |
| 31 | E | 82.4 | Confident | 79.7 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 175.5 | -169.7 | 170.7 | -161.7 | 0 | 0 | 111.5 | F17 K21 V27 V28 Y29 T33 R35 | F17-E31 HydrophobicContact CE2-CG 4.15Å; F17-E31 HydrophobicContact CZ-CG 4.29Å; K21-E31 WeakPolarHBondContact CE-OE1 3.31Å; K21-E31 VanDerWaalsContact CE-OE2 3.26Å; K21-E31 WeakPolarHBondContact CE-OE2 3.44Å; K21-E31 IonicContact NZ-OE1 3.88Å; K21-E31 PolarHBondContact NZ-OE1 3.1Å; K21-E31 IonicContact NZ-OE2 3.31Å; K21-E31 PolarHBondContact NZ-OE2 3.48Å; V27-E31 HydrophobicContact CG2-CB 4.33Å; V28-E31 WeakPolarHBondContact O-CA 3.28Å; V28-E31 WeakPolarHBondContact O-CB 3.45Å; V28-E31 PolarHBondContact O-N 3.31Å; Y29-E31 VanDerWaalsContact C-N 3.27Å; Y29-E31 PolarHBondContact O-N 2.89Å; E31-T33 VanDerWaalsContact C-N 3.34Å; E31-R35 HydrophobicContact CG-CG 4.42Å; E31-R35 WeakPolarHBondContact O-CB 3.39Å; E31-R35 WeakPolarHBondContact O-CG 3.35Å; E31-R35 PolarHBondContact O-N 3.31Å; E31-R35 IonicContact OE1-CZ 3.99Å; E31-R35 IonicContact OE1-NE 3.37Å; E31-R35 IonicContact OE1-NH2 3.41Å; E31-R35 PolarHBondContact OE1-NH2 3.19Å |
| 32 | L | 81.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 170.6 | -97 | 160.9 | 0 | 0 | 0 | 111.7 | F17 V27 V28 Y29 L36 A37 M47 L50 V54 V61 | F17-L32 HydrophobicContact CD1-CD2 4.27Å; F17-L32 HydrophobicContact CE1-CD2 3.58Å; F17-L32 HydrophobicContact CE1-CG 3.76Å; F17-L32 HydrophobicContact CZ-CD2 4.24Å; F17-L32 HydrophobicContact CZ-CG 4.05Å; V27-L32 HydrophobicContact CG1-CD1 3.49Å; V27-L32 VanDerWaalsContact CG1-CD1 3.49Å; V27-L32 HydrophobicContact CG1-CG 4.03Å; V27-L32 HydrophobicContact CG2-CD1 4.47Å; V27-L32 HydrophobicContact CG2-CG 4.21Å; V28-L32 PolarHBondContact O-N 3.24Å; Y29-L32 WeakPolarHBondContact O-CB 3.19Å; Y29-L32 PolarHBondContact O-N 2.98Å; L32-L36 HydrophobicContact CD2-CD1 3.96Å; L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 PolarHBondContact O-N 3.41Å; L32-A37 PolarHBondContact O-N 3.06Å; L32-M47 HydrophobicContact CB-CE 4.16Å; L32-L50 HydrophobicContact CD2-CD1 4.18Å; L32-L50 HydrophobicContact CD2-CD2 3.85Å; L32-L50 HydrophobicContact CD2-CG 3.98Å; L32-V54 HydrophobicContact CD1-CG1 4.46Å; L32-V54 HydrophobicContact CD2-CG2 3.96Å; L32-V61 HydrophobicContact CD1-CB 4.07Å; L32-V61 HydrophobicContact CD1-CG1 3.5Å; L32-V61 VanDerWaalsContact CD1-CG1 3.5Å; L32-V61 HydrophobicContact CD1-CG2 3.42Å; L32-V61 VanDerWaalsContact CD1-CG2 3.42Å |
| 33 | T | 82.4 | Confident | 80.1 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -62.5 | -50.6 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | Y29 D30 E31 R35 A37 T38 | Y29-T33 VanDerWaalsContact CE1-OG1 3.28Å; Y29-T33 WeakPolarHBondContact CE1-OG1 3.49Å; Y29-T33 PolarHBondContact O-N 3.4Å; Y29-T33 PolarHBondContact O-OG1 2.89Å; D30-T33 PolarHBondContact O-N 2.9Å; E31-T33 VanDerWaalsContact C-N 3.34Å; T33-R35 PolarHBondContact O-N 3.18Å; T33-A37 HydrophobicContact CG2-CB 4.19Å; T33-A37 WeakPolarHBondContact O-CA 3.48Å; T33-A37 WeakPolarHBondContact O-CB 3.19Å; T33-A37 PolarHBondContact O-N 3.26Å; T33-T38 PolarHBondContact O-N 3.28Å; T33-T38 PolarHBondContact O-OG1 3.36Å; T33-T38 VanDerWaalsContact O-OG1 3.07Å |
| 34 | N | 84.8 | Confident | 80.5 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -68.8 | -36.6 | -175.9 | -70.8 | -31.2 | 0 | 0 | 0 | 113.7 | D30 P39 | D30-N34 VanDerWaalsContact O-CB 3.3Å; D30-N34 WeakPolarHBondContact O-CB 3.47Å; D30-N34 PolarHBondContact O-N 3.39Å; D30-N34 PolarHBondContact O-ND2 3.33Å; N34-P39 WeakPolarHBondContact O-CD 3.25Å; N34-P39 WeakPolarHBondContact O-CG 3.31Å |
| 35 | R | 81.3 | Confident | 80.6 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 40% | 0.404 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -90.4 | -25.9 | -176.2 | -65.4 | -152.1 | -167.3 | 172.8 | 3 | 114.5 | F17 E20 E31 T33 | F17-R35 HydrophobicContact CD2-CB 4.12Å; F17-R35 HydrophobicContact CE2-CB 3.95Å; F17-R35 HydrophobicContact CE2-CG 4.18Å; E20-R35 IonicContact OE1-CZ 2.83Å; E20-R35 IonicContact OE1-NH1 2.73Å; E20-R35 PolarHBondContact OE1-NH1 3Å; E20-R35 IonicContact OE1-NH2 3.56Å; E20-R35 PolarHBondContact OE1-NH2 2.93Å; E20-R35 IonicContact OE2-CZ 3.57Å; E20-R35 IonicContact OE2-NH1 3.74Å; E20-R35 PolarHBondContact OE2-NH1 3.16Å; E31-R35 HydrophobicContact CG-CG 4.42Å; E31-R35 WeakPolarHBondContact O-CB 3.39Å; E31-R35 WeakPolarHBondContact O-CG 3.35Å; E31-R35 PolarHBondContact O-N 3.31Å; E31-R35 IonicContact OE1-CZ 3.99Å; E31-R35 IonicContact OE1-NE 3.37Å; E31-R35 IonicContact OE1-NH2 3.41Å; E31-R35 PolarHBondContact OE1-NH2 3.19Å; T33-R35 PolarHBondContact O-N 3.18Å |
| 36 | L | 83 | Confident | 81 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -125.2 | -46.4 | -174.3 | -65.5 | 174.6 | 0 | 0 | 0 | 112.8 | A13 L14 F17 L32 Y40 L50 | A13-L36 HydrophobicContact CB-CD2 3.85Å; L14-L36 HydrophobicContact CD1-CD1 3.8Å; F17-L36 HydrophobicContact CB-CD1 3.95Å; F17-L36 HydrophobicContact CB-CD2 4.37Å; F17-L36 HydrophobicContact CB-CG 4.41Å; F17-L36 HydrophobicContact CD1-CD1 3.54Å; F17-L36 HydrophobicContact CD1-CG 4.47Å; F17-L36 HydrophobicContact CD2-CD1 4.5Å; F17-L36 HydrophobicContact CE1-CD1 4.1Å; F17-L36 HydrophobicContact CG-CD1 3.74Å; F17-L36 HydrophobicContact CG-CG 4.27Å; L32-L36 HydrophobicContact CD2-CD1 3.96Å; L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 PolarHBondContact O-N 3.41Å; L36-Y40 HydrophobicContact CD2-CE2 4.45Å; L36-Y40 WeakPolarHBondContact O-CD2 3.43Å; L36-L50 HydrophobicContact CB-CD2 3.85Å; L36-L50 HydrophobicContact CD1-CD1 3.9Å; L36-L50 HydrophobicContact CD1-CD2 4.21Å |
| 37 | A | 80.5 | Confident | 81 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -71.3 | -49.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L32 T33 E41 L42 M47 | L32-A37 PolarHBondContact O-N 3.06Å; T33-A37 HydrophobicContact CG2-CB 4.19Å; T33-A37 WeakPolarHBondContact O-CA 3.48Å; T33-A37 WeakPolarHBondContact O-CB 3.19Å; T33-A37 PolarHBondContact O-N 3.26Å; A37-E41 WeakPolarHBondContact O-CA 3.37Å; A37-E41 PolarHBondContact O-N 2.86Å; A37-L42 HydrophobicContact CB-CB 4.2Å; A37-L42 HydrophobicContact CB-CD1 4.19Å; A37-L42 PolarHBondContact O-N 3.41Å; A37-M47 HydrophobicContact CB-SD 3.76Å |
| 38 | T | 82.5 | Confident | 80.6 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 55% | 0.546 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -46.6 | -177.9 | -48.5 | 0 | 0 | 0 | 0 | 112.6 | T33 Y40 E41 | T33-T38 PolarHBondContact O-N 3.28Å; T33-T38 PolarHBondContact O-OG1 3.36Å; T33-T38 VanDerWaalsContact O-OG1 3.07Å; T38-Y40 VanDerWaalsContact C-N 3.3Å; T38-Y40 PolarHBondContact O-N 3.36Å; T38-E41 PolarHBondContact O-N 3.44Å |
| 39 | P | 82.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 60 Ų | 60 | 49% | 0.494 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -29.3 | -177.6 | -23.7 | 37.4 | 0 | 0 | 0 | 114 | N34 | N34-P39 WeakPolarHBondContact O-CD 3.25Å; N34-P39 WeakPolarHBondContact O-CG 3.31Å |
| 40 | Y | 83.1 | Confident | 80 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 10.5 | -177.5 | -62 | -76.1 | 0 | 0 | 0 | 113.4 | K5 E9 Y10 A13 L36 T38 L42 | K5-Y40 WeakPolarHBondContact O-CD1 3.35Å; E9-Y40 HydrophobicContact CB-CE1 3.88Å; E9-Y40 PolarHBondContact O-OH 2.94Å; Y10-Y40 AromaticContact CD2-CD2 3.86Å; Y10-Y40 HydrophobicContact CD2-CD2 3.86Å; Y10-Y40 AromaticContact CD2-CG 3.92Å; Y10-Y40 HydrophobicContact CD2-CG 3.92Å; Y10-Y40 HydrophobicContact CG-CG 4.37Å; A13-Y40 HydrophobicContact CB-CE2 3.64Å; A13-Y40 VanDerWaalsContact CB-OH 3.31Å; A13-Y40 WeakPolarHBondContact CB-OH 2.84Å; L36-Y40 HydrophobicContact CD2-CE2 4.45Å; L36-Y40 WeakPolarHBondContact O-CD2 3.43Å; T38-Y40 VanDerWaalsContact C-N 3.3Å; T38-Y40 PolarHBondContact O-N 3.36Å; Y40-L42 VanDerWaalsContact C-N 3.28Å; Y40-L42 PolarHBondContact O-N 2.98Å |
| 41 | E | 79 | Confident | 79.9 | Confident | 122 Ų | 122 | 52.9 Ų | 52.9 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 44.9 | 178.3 | -65.5 | 174.2 | -176.2 | 0 | 0 | 112.9 | K5 A37 T38 G43 | K5-E41 WeakPolarHBondContact CD-OE2 3.45Å; K5-E41 WeakPolarHBondContact CE-OE2 3.45Å; K5-E41 IonicContact NZ-OE1 2.78Å; K5-E41 PolarHBondContact NZ-OE1 2.78Å; K5-E41 IonicContact NZ-OE2 2.84Å; K5-E41 PolarHBondContact NZ-OE2 3.15Å; A37-E41 WeakPolarHBondContact O-CA 3.37Å; A37-E41 PolarHBondContact O-N 2.86Å; T38-E41 PolarHBondContact O-N 3.44Å; E41-G43 PolarHBondContact O-N 3.01Å |
| 42 | L | 76.9 | Confident | 79.6 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | trans | -66.5 | 122.1 | 179.4 | -60 | 176.6 | 0 | 0 | 0 | 110.1 | V4 Y10 A37 Y40 A46 L50 | V4-L42 HydrophobicContact CB-CD2 4.43Å; V4-L42 HydrophobicContact CG1-CD2 3.89Å; V4-L42 HydrophobicContact CG2-CD2 3.78Å; Y10-L42 HydrophobicContact CD2-CD1 4.35Å; Y10-L42 HydrophobicContact CD2-CD2 4.18Å; Y10-L42 HydrophobicContact CE2-CD1 3.53Å; Y10-L42 HydrophobicContact CE2-CD2 3.86Å; Y10-L42 HydrophobicContact CE2-CG 4.22Å; A37-L42 HydrophobicContact CB-CB 4.2Å; A37-L42 HydrophobicContact CB-CD1 4.19Å; A37-L42 PolarHBondContact O-N 3.41Å; Y40-L42 VanDerWaalsContact C-N 3.28Å; Y40-L42 PolarHBondContact O-N 2.98Å; L42-A46 HydrophobicContact CB-CB 4.08Å; L42-A46 HydrophobicContact CD2-CB 3.97Å; L42-L50 HydrophobicContact CD1-CD2 3.69Å | ||
| 43 | G | 76.9 | Confident | 79.5 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | trans | -68.6 | 173.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | E41 E45 A46 M47 | E41-G43 PolarHBondContact O-N 3.01Å; G43-E45 PolarHBondContact O-N 3.37Å; G43-A46 PolarHBondContact O-N 3.49Å; G43-A46 VanDerWaalsContact O-N 3.12Å; G43-M47 PolarHBondContact O-N 2.91Å | ||
| 44 | A | 75.9 | Confident | 79.4 | Confident | 81 Ų | 81 | 55.3 Ų | 55.3 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -55.9 | -47.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A46 M47 D48 | A44-A46 VanDerWaalsContact C-N 3.32Å; A44-A46 PolarHBondContact O-N 3.39Å; A44-M47 WeakPolarHBondContact O-CB 3.35Å; A44-M47 PolarHBondContact O-N 3.29Å; A44-M47 VanDerWaalsContact O-N 3.14Å; A44-D48 PolarHBondContact O-N 3.08Å |
| 45 | E | 74.9 | Confident | 78.9 | Confident | 148 Ų | 148 | 50.9 Ų | 50.9 | 69% | 0.692 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | 177.3 | -67 | -178.4 | 169.7 | 0 | 0 | 112.4 | G43 M47 D48 E49 | G43-E45 PolarHBondContact O-N 3.37Å; E45-M47 VanDerWaalsContact C-N 3.29Å; E45-M47 PolarHBondContact O-N 3.23Å; E45-D48 PolarHBondContact O-N 3.06Å; E45-E49 PolarHBondContact O-N 3.24Å |
| 46 | A | 77.9 | Confident | 78.3 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.6 | -27.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L42 G43 A44 L50 | L42-A46 HydrophobicContact CB-CB 4.08Å; L42-A46 HydrophobicContact CD2-CB 3.97Å; G43-A46 PolarHBondContact O-N 3.49Å; G43-A46 VanDerWaalsContact O-N 3.12Å; A44-A46 VanDerWaalsContact C-N 3.32Å; A44-A46 PolarHBondContact O-N 3.39Å; A46-L50 VanDerWaalsContact O-CB 3.32Å; A46-L50 WeakPolarHBondContact O-CB 3.18Å; A46-L50 PolarHBondContact O-N 3.02Å |
| 47 | M | 78.3 | Confident | 77.6 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -41.4 | 171.2 | -170.4 | 62.8 | 179.8 | 0 | 0 | 111.4 | Y29 L32 A37 G43 A44 E45 L50 I51 | Y29-M47 HydrophobicContact CD2-CE 3.92Å; Y29-M47 HydrophobicContact CE2-CE 3.24Å; Y29-M47 HydrophobicContact CE2-CG 4.43Å; L32-M47 HydrophobicContact CB-CE 4.16Å; A37-M47 HydrophobicContact CB-SD 3.76Å; G43-M47 PolarHBondContact O-N 2.91Å; A44-M47 WeakPolarHBondContact O-CB 3.35Å; A44-M47 PolarHBondContact O-N 3.29Å; A44-M47 VanDerWaalsContact O-N 3.14Å; E45-M47 VanDerWaalsContact C-N 3.29Å; E45-M47 PolarHBondContact O-N 3.23Å; M47-L50 WeakPolarHBondContact O-CB 3.49Å; M47-L50 PolarHBondContact O-N 2.96Å; M47-L50 VanDerWaalsContact O-N 3.15Å; M47-L50 HydrophobicContact SD-CD2 3.85Å; M47-I51 HydrophobicContact CE-CG1 4.45Å; M47-I51 HydrophobicContact CG-CD1 4.26Å; M47-I51 VanDerWaalsContact O-CG1 3.32Å; M47-I51 WeakPolarHBondContact O-CG1 3.45Å; M47-I51 PolarHBondContact O-N 3.16Å |
| 48 | D | 75.9 | Confident | 77 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176 | -66.8 | -24.5 | 0 | 0 | 0 | 111 | A44 E45 L50 I51 Q52 Q75 | A44-D48 PolarHBondContact O-N 3.08Å; E45-D48 PolarHBondContact O-N 3.06Å; D48-L50 VanDerWaalsContact C-N 3.3Å; D48-L50 PolarHBondContact O-N 3.32Å; D48-I51 PolarHBondContact O-N 3.07Å; D48-Q52 PolarHBondContact O-N 3.34Å; D48-Q75 HydrophobicContact CB-CG 4.3Å |
| 49 | E | 78.4 | Confident | 76.7 | Confident | 115 Ų | 115 | 46.5 Ų | 46.5 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 171.5 | -76.9 | -168.1 | -166.4 | 0 | 0 | 112.8 | E45 K53 | E45-E49 PolarHBondContact O-N 3.24Å; E49-K53 WeakPolarHBondContact O-CB 3.44Å; E49-K53 VanDerWaalsContact O-CG 3.25Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.26Å; E49-K53 IonicContact OE2-NZ 3.86Å; E49-K53 PolarHBondContact OE2-NZ 3.31Å |
| 50 | L | 80.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.9 | 170.4 | 60.4 | 0 | 0 | 0 | 110.7 | L14 L32 L36 L42 A46 M47 D48 Q52 K53 V54 | L14-L50 HydrophobicContact CD1-CD1 3.22Å; L14-L50 HydrophobicContact CD2-CD1 4.12Å; L14-L50 HydrophobicContact CG-CD1 4.26Å; L32-L50 HydrophobicContact CD2-CD1 4.18Å; L32-L50 HydrophobicContact CD2-CD2 3.85Å; L32-L50 HydrophobicContact CD2-CG 3.98Å; L36-L50 HydrophobicContact CB-CD2 3.85Å; L36-L50 HydrophobicContact CD1-CD1 3.9Å; L36-L50 HydrophobicContact CD1-CD2 4.21Å; L42-L50 HydrophobicContact CD1-CD2 3.69Å; A46-L50 VanDerWaalsContact O-CB 3.32Å; A46-L50 WeakPolarHBondContact O-CB 3.18Å; A46-L50 PolarHBondContact O-N 3.02Å; M47-L50 WeakPolarHBondContact O-CB 3.49Å; M47-L50 PolarHBondContact O-N 2.96Å; M47-L50 VanDerWaalsContact O-N 3.15Å; M47-L50 HydrophobicContact SD-CD2 3.85Å; D48-L50 VanDerWaalsContact C-N 3.3Å; D48-L50 PolarHBondContact O-N 3.32Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 2.94Å; L50-K53 PolarHBondContact O-N 2.8Å; L50-V54 HydrophobicContact CD1-CG2 3.82Å; L50-V54 HydrophobicContact CG-CG2 4.43Å; L50-V54 WeakPolarHBondContact O-CB 3.4Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 2.97Å |
| 51 | I | 78.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 177.8 | -66.3 | 165.1 | 0 | 0 | 0 | 109.7 | Y29 M47 D48 K53 V54 E55 V61 A71 Q75 | Y29-I51 HydrophobicContact CD2-CD1 4.48Å; Y29-I51 HydrophobicContact CE2-CD1 4.09Å; M47-I51 HydrophobicContact CE-CG1 4.45Å; M47-I51 HydrophobicContact CG-CD1 4.26Å; M47-I51 VanDerWaalsContact O-CG1 3.32Å; M47-I51 WeakPolarHBondContact O-CG1 3.45Å; M47-I51 PolarHBondContact O-N 3.16Å; D48-I51 PolarHBondContact O-N 3.07Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 3.44Å; I51-V54 PolarHBondContact O-N 2.93Å; I51-V54 VanDerWaalsContact O-N 3.16Å; I51-E55 HydrophobicContact CG2-CG 4.24Å; I51-E55 WeakPolarHBondContact O-CG 3.29Å; I51-E55 PolarHBondContact O-N 3.32Å; I51-V61 HydrophobicContact CG2-CB 4.25Å; I51-V61 HydrophobicContact CG2-CG2 4Å; I51-A71 HydrophobicContact CD1-CB 3.4Å; I51-Q75 VanDerWaalsContact CG2-OE1 3.28Å |
| 52 | Q | 77.4 | Confident | 76.7 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.6 | -48 | 176.1 | -167 | 49.4 | 38.9 | 0 | 0 | 112 | D48 L50 V54 E55 D56 | D48-Q52 PolarHBondContact O-N 3.34Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 2.94Å; Q52-V54 VanDerWaalsContact C-N 3.28Å; Q52-V54 PolarHBondContact O-N 3.15Å; Q52-E55 PolarHBondContact O-N 3.11Å; Q52-D56 PolarHBondContact NE2-OD1 3.37Å; Q52-D56 PolarHBondContact NE2-OD2 2.78Å; Q52-D56 WeakPolarHBondContact O-CB 3.36Å; Q52-D56 PolarHBondContact O-N 3.23Å |
| 53 | K | 77.7 | Confident | 77 | Confident | 78 Ų | 78 | 36.2 Ų | 36.2 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -33.5 | -178.7 | -76.3 | 170 | -173.2 | 161.2 | 0 | 112.5 | L14 E49 L50 I51 A57 | L14-K53 HydrophobicContact CD2-CD 4.1Å; E49-K53 WeakPolarHBondContact O-CB 3.44Å; E49-K53 VanDerWaalsContact O-CG 3.25Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.26Å; E49-K53 IonicContact OE2-NZ 3.86Å; E49-K53 PolarHBondContact OE2-NZ 3.31Å; L50-K53 PolarHBondContact O-N 2.8Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 3.44Å; K53-A57 VanDerWaalsContact O-CB 3.31Å; K53-A57 WeakPolarHBondContact O-CB 3.21Å; K53-A57 PolarHBondContact O-N 3.34Å |
| 54 | V | 80.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.4 | -45.4 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | L14 I18 V27 L32 L50 I51 Q52 A57 G58 V59 V61 | L14-V54 HydrophobicContact CD1-CG2 4.03Å; I18-V54 HydrophobicContact CD1-CG2 4.25Å; I18-V54 HydrophobicContact CG1-CG2 4.2Å; V27-V54 HydrophobicContact CG1-CG1 4.01Å; L32-V54 HydrophobicContact CD1-CG1 4.46Å; L32-V54 HydrophobicContact CD2-CG2 3.96Å; L50-V54 HydrophobicContact CD1-CG2 3.82Å; L50-V54 HydrophobicContact CG-CG2 4.43Å; L50-V54 WeakPolarHBondContact O-CB 3.4Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 2.97Å; I51-V54 PolarHBondContact O-N 2.93Å; I51-V54 VanDerWaalsContact O-N 3.16Å; Q52-V54 VanDerWaalsContact C-N 3.28Å; Q52-V54 PolarHBondContact O-N 3.15Å; V54-A57 WeakPolarHBondContact O-CA 3.41Å; V54-A57 WeakPolarHBondContact O-CB 3.1Å; V54-A57 PolarHBondContact O-N 2.89Å; V54-A57 VanDerWaalsContact O-N 3.12Å; V54-G58 PolarHBondContact O-N 3.36Å; V54-V59 CarbonylContact C-O 3.55Å; V54-V59 VanDerWaalsContact C-O 3.31Å; V54-V59 HydrophobicContact CG1-CB 3.74Å; V54-V59 HydrophobicContact CG1-CG1 3.92Å; V54-V59 PolarHBondContact O-N 2.83Å; V54-V61 HydrophobicContact CB-CG2 4.27Å; V54-V61 HydrophobicContact CG1-CG2 3.87Å |
| 55 | E | 74.2 | Confident | 77.1 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 174.9 | -69.9 | -171.4 | 177 | 0 | 0 | 112.1 | I51 Q52 A57 G58 V59 V61 S72 W190 R193 | I51-E55 HydrophobicContact CG2-CG 4.24Å; I51-E55 WeakPolarHBondContact O-CG 3.29Å; I51-E55 PolarHBondContact O-N 3.32Å; Q52-E55 PolarHBondContact O-N 3.11Å; E55-A57 PolarHBondContact O-N 2.88Å; E55-G58 WeakPolarHBondContact O-CA 3.27Å; E55-G58 PolarHBondContact O-N 3.28Å; E55-V59 WeakPolarHBondContact CA-O 3.42Å; E55-V59 PolarHBondContact N-O 3.22Å; E55-V61 HydrophobicContact CG-CG2 4.19Å; E55-S72 WeakPolarHBondContact OE1-CB 3.47Å; E55-S72 PolarHBondContact OE1-OG 2.75Å; E55-W190 PolarHBondContact OE1-NE1 2.73Å; E55-R193 IonicContact OE2-NH1 2.82Å; E55-R193 PolarHBondContact OE2-NH1 3.13Å |
| 56 | D | 70.1 | Confident | 77.2 | Confident | 85 Ų | 85 | 38.3 Ų | 38.3 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.6 | 174.4 | -75.1 | -23.5 | 0 | 0 | 0 | 112.9 | Q52 G58 | Q52-D56 PolarHBondContact NE2-OD1 3.37Å; Q52-D56 PolarHBondContact NE2-OD2 2.78Å; Q52-D56 WeakPolarHBondContact O-CB 3.36Å; Q52-D56 PolarHBondContact O-N 3.23Å; D56-G58 VanDerWaalsContact C-N 3.27Å |
| 57 | A | 68.3 | Low | 77.4 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I18 K22 K53 V54 E55 | I18-A57 HydrophobicContact CD1-CB 4.16Å; I18-A57 HydrophobicContact CG2-CB 3.8Å; K22-A57 WeakPolarHBondContact CE-O 3.42Å; K53-A57 VanDerWaalsContact O-CB 3.31Å; K53-A57 WeakPolarHBondContact O-CB 3.21Å; K53-A57 PolarHBondContact O-N 3.34Å; V54-A57 WeakPolarHBondContact O-CA 3.41Å; V54-A57 WeakPolarHBondContact O-CB 3.1Å; V54-A57 PolarHBondContact O-N 2.89Å; V54-A57 VanDerWaalsContact O-N 3.12Å; E55-A57 PolarHBondContact O-N 2.88Å |
| 58 | G | 67.9 | Low | 77.5 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 8.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V54 E55 D56 | V54-G58 PolarHBondContact O-N 3.36Å; E55-G58 WeakPolarHBondContact O-CA 3.27Å; E55-G58 PolarHBondContact O-N 3.28Å; D56-G58 VanDerWaalsContact C-N 3.27Å |
| 59 | V | 75.7 | Confident | 77.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | trans | -104 | 115.2 | 179.9 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | K21 K22 V27 V54 E55 | K21-V59 HydrophobicContact CB-CG1 4.15Å; K22-V59 HydrophobicContact CB-CG2 4.47Å; K22-V59 HydrophobicContact CG-CG2 3.75Å; V27-V59 HydrophobicContact CB-CG1 3.98Å; V27-V59 HydrophobicContact CG1-CG1 3.76Å; V54-V59 CarbonylContact C-O 3.55Å; V54-V59 VanDerWaalsContact C-O 3.31Å; V54-V59 HydrophobicContact CG1-CB 3.74Å; V54-V59 HydrophobicContact CG1-CG1 3.92Å; V54-V59 PolarHBondContact O-N 2.83Å; E55-V59 WeakPolarHBondContact CA-O 3.42Å; E55-V59 PolarHBondContact N-O 3.22Å | ||
| 60 | S | 77.7 | Confident | 77.9 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.6 | -174.8 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | G25 Q26 V27 V62 W190 Q194 | G25-S60 PolarHBondContact O-N 2.75Å; G25-S60 PolarHBondContact O-OG 2.71Å; Q26-S60 CarbonylContact C-O 3.52Å; Q26-S60 VanDerWaalsContact CA-O 3.28Å; Q26-S60 WeakPolarHBondContact CA-O 3.12Å; V27-S60 PolarHBondContact N-O 2.82Å; S60-V62 PolarHBondContact O-N 3.29Å; S60-W190 VanDerWaalsContact CB-CZ2 3.49Å; S60-Q194 PolarHBondContact OG-NE2 3.21Å; S60-Q194 PolarHBondContact OG-OE1 2.97Å |
| 61 | V | 82.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 104.1 | 179 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | V27 Y29 L32 I51 V54 E55 S69 | V27-V61 HydrophobicContact CG1-CG2 4.04Å; V27-V61 CarbonylContact O-C 3.57Å; V27-V61 WeakPolarHBondContact O-CA 3.26Å; Y29-V61 HydrophobicContact CD2-CG1 4.17Å; L32-V61 HydrophobicContact CD1-CB 4.07Å; L32-V61 HydrophobicContact CD1-CG1 3.5Å; L32-V61 VanDerWaalsContact CD1-CG1 3.5Å; L32-V61 HydrophobicContact CD1-CG2 3.42Å; L32-V61 VanDerWaalsContact CD1-CG2 3.42Å; I51-V61 HydrophobicContact CG2-CB 4.25Å; I51-V61 HydrophobicContact CG2-CG2 4Å; V54-V61 HydrophobicContact CB-CG2 4.27Å; V54-V61 HydrophobicContact CG1-CG2 3.87Å; E55-V61 HydrophobicContact CG-CG2 4.19Å; V61-S69 PolarHBondContact O-N 2.86Å |
| 62 | V | 84 | Confident | 77.6 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 162.8 | -172.9 | -64 | 0 | 0 | 0 | 0 | 112.9 | Q26 V27 V28 Y29 S60 E67 W190 | Q26-V62 HydrophobicContact CB-CG1 4.4Å; Q26-V62 HydrophobicContact CB-CG2 4.13Å; V27-V62 WeakPolarHBondContact O-CG2 3.35Å; V27-V62 PolarHBondContact O-N 2.99Å; V28-V62 CarbonylContact C-O 3.36Å; V28-V62 VanDerWaalsContact CA-O 3.31Å; V28-V62 WeakPolarHBondContact CA-O 3.31Å; V28-V62 HydrophobicContact CG2-CG2 4.49Å; Y29-V62 PolarHBondContact N-O 2.95Å; S60-V62 PolarHBondContact O-N 3.29Å; V62-E67 CarbonylContact C-O 3.6Å; V62-E67 WeakPolarHBondContact CA-O 3.42Å; V62-E67 WeakPolarHBondContact CB-O 3.32Å; V62-W190 HydrophobicContact CG1-CH2 3.95Å; V62-W190 HydrophobicContact CG1-CZ2 3.66Å |
| 63 | D | 83.2 | Confident | 77.9 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | trans | -82.3 | -177.2 | 160.9 | 65.6 | 20.7 | 0 | 0 | 0 | 111.1 | N65 G66 E67 K180 | D63-N65 PolarHBondContact O-N 3.06Å; D63-N65 VanDerWaalsContact O-N 3.1Å; D63-N65 WeakPolarHBondContact OD1-CA 3.42Å; D63-N65 WeakPolarHBondContact OD1-CB 3.43Å; D63-N65 PolarHBondContact OD1-N 2.87Å; D63-G66 PolarHBondContact O-N 3.1Å; D63-G66 PolarHBondContact OD1-N 2.65Å; D63-E67 PolarHBondContact N-O 2.87Å; D63-E67 WeakPolarHBondContact OD1-CB 3.49Å; D63-E67 PolarHBondContact OD1-N 3.45Å; D63-K180 IonicContact OD2-NZ 2.86Å; D63-K180 PolarHBondContact OD2-NZ 3.47Å | ||
| 64 | E | 78.7 | Confident | 78 | Confident | 160 Ų | 160 | 38.5 Ų | 38.5 | 75% | 0.748 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -20.8 | 179.8 | -59.2 | -178.8 | 169 | 0 | 0 | 113.5 | ||
| 65 | N | 77.2 | Confident | 77.9 | Confident | 130 Ų | 130 | 39.9 Ų | 39.9 | 70% | 0.695 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | 1.1 | -179.5 | -61 | -38 | 0 | 0 | 0 | 113 | D63 E67 | D63-N65 PolarHBondContact O-N 3.06Å; D63-N65 VanDerWaalsContact O-N 3.1Å; D63-N65 WeakPolarHBondContact OD1-CA 3.42Å; D63-N65 WeakPolarHBondContact OD1-CB 3.43Å; D63-N65 PolarHBondContact OD1-N 2.87Å; N65-E67 VanDerWaalsContact C-N 3.32Å |
| 66 | G | 77.3 | Confident | 78.3 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 77.3 | 17.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D63 | D63-G66 PolarHBondContact O-N 3.1Å; D63-G66 PolarHBondContact OD1-N 2.65Å |
| 67 | E | 81.3 | Confident | 78.9 | Confident | 36 Ų | 36 | 38 Ų | 38 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -100.1 | 162 | 176.1 | -69.2 | -174.1 | 177.5 | 0 | 0 | 111.1 | V62 D63 N65 S69 K180 | V62-E67 CarbonylContact C-O 3.6Å; V62-E67 WeakPolarHBondContact CA-O 3.42Å; V62-E67 WeakPolarHBondContact CB-O 3.32Å; D63-E67 PolarHBondContact N-O 2.87Å; D63-E67 WeakPolarHBondContact OD1-CB 3.49Å; D63-E67 PolarHBondContact OD1-N 3.45Å; N65-E67 VanDerWaalsContact C-N 3.32Å; E67-S69 PolarHBondContact O-N 3.28Å; E67-K180 IonicContact OE2-NZ 3.28Å; E67-K180 PolarHBondContact OE2-NZ 2.9Å |
| 68 | P | 80.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -56.7 | 127.8 | 178.8 | 21.4 | -34 | 0 | 0 | 0 | 112.1 | L73 Y187 W190 | P68-L73 HydrophobicContact CB-CD2 3.9Å; P68-L73 HydrophobicContact CB-CG 4.2Å; P68-L73 HydrophobicContact CG-CD2 3.93Å; P68-Y187 HydrophobicContact CG-CD2 3.56Å; P68-Y187 HydrophobicContact CG-CE2 3.32Å; P68-Y187 HydrophobicContact CG-CG 4.47Å; P68-W190 HydrophobicContact CB-CB 4.06Å; P68-W190 HydrophobicContact CB-CD2 3.87Å; P68-W190 HydrophobicContact CB-CE3 4.43Å; P68-W190 HydrophobicContact CB-CG 3.71Å; P68-W190 HydrophobicContact CG-CB 4.4Å; P68-W190 HydrophobicContact CG-CD2 4.31Å; P68-W190 HydrophobicContact CG-CE3 4.4Å; P68-W190 HydrophobicContact CG-CG 4.34Å |
| 69 | S | 82.9 | Confident | 79.9 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 154.6 | 177.6 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | V61 E67 A71 S72 L73 | V61-S69 PolarHBondContact O-N 2.86Å; E67-S69 PolarHBondContact O-N 3.28Å; S69-A71 PolarHBondContact O-N 2.96Å; S69-A71 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-N 3.28Å; S69-S72 VanDerWaalsContact O-N 3.11Å; S69-S72 WeakPolarHBondContact OG-CB 3.38Å; S69-S72 PolarHBondContact OG-N 3.36Å; S69-L73 WeakPolarHBondContact O-CG 3.31Å; S69-L73 PolarHBondContact O-N 2.86Å |
| 70 | K | 80 | Confident | 80.1 | Confident | 141 Ų | 141 | 45 Ų | 45 | 61% | 0.613 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -56 | -31.7 | 177.9 | -68 | -173.7 | 177.8 | 177 | 0 | 113.4 | K74 F182 | K70-K74 WeakPolarHBondContact O-CG 3.37Å; K70-K74 PolarHBondContact O-N 3.43Å; K70-K74 VanDerWaalsContact O-N 3.08Å; K70-F182 HydrophobicContact CB-CE2 4.29Å; K70-F182 HydrophobicContact CB-CZ 4.29Å; K70-F182 HydrophobicContact CG-CE2 4.11Å |
| 71 | A | 76.5 | Confident | 80.2 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y29 I51 S69 L73 K74 Q75 | Y29-A71 HydrophobicContact CD2-CB 3.76Å; Y29-A71 HydrophobicContact CE2-CB 3.13Å; I51-A71 HydrophobicContact CD1-CB 3.4Å; S69-A71 PolarHBondContact O-N 2.96Å; S69-A71 VanDerWaalsContact O-N 3.12Å; A71-L73 PolarHBondContact O-N 3.43Å; A71-K74 PolarHBondContact O-N 2.85Å; A71-K74 VanDerWaalsContact O-N 3.16Å; A71-Q75 PolarHBondContact O-N 2.87Å |
| 72 | S | 76.9 | Confident | 80 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -38.8 | 171.8 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | E55 S69 Q75 N76 W190 | E55-S72 WeakPolarHBondContact OE1-CB 3.47Å; E55-S72 PolarHBondContact OE1-OG 2.75Å; S69-S72 PolarHBondContact O-N 3.28Å; S69-S72 VanDerWaalsContact O-N 3.11Å; S69-S72 WeakPolarHBondContact OG-CB 3.38Å; S69-S72 PolarHBondContact OG-N 3.36Å; S72-Q75 PolarHBondContact O-N 3.35Å; S72-N76 WeakPolarHBondContact O-CB 3.44Å; S72-N76 VanDerWaalsContact O-CG 3.23Å; S72-N76 PolarHBondContact O-N 3.41Å; S72-N76 PolarHBondContact O-ND2 3.47Å; S72-N76 VanDerWaalsContact O-ND2 3.15Å; S72-N76 PolarHBondContact OG-ND2 2.96Å; S72-W190 VanDerWaalsContact OG-CD1 3.25Å |
| 73 | L | 83 | Confident | 79.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 173.1 | -65.5 | 176.3 | 0 | 0 | 0 | 112.2 | P68 S69 A71 Q75 N76 E77 F182 T186 Y187 | P68-L73 HydrophobicContact CB-CD2 3.9Å; P68-L73 HydrophobicContact CB-CG 4.2Å; P68-L73 HydrophobicContact CG-CD2 3.93Å; S69-L73 WeakPolarHBondContact O-CG 3.31Å; S69-L73 PolarHBondContact O-N 2.86Å; A71-L73 PolarHBondContact O-N 3.43Å; L73-Q75 VanDerWaalsContact C-N 3.26Å; L73-Q75 PolarHBondContact O-N 3.19Å; L73-N76 PolarHBondContact O-N 3.37Å; L73-E77 PolarHBondContact O-N 2.89Å; L73-F182 HydrophobicContact CB-CD1 3.91Å; L73-F182 HydrophobicContact CB-CD2 4.2Å; L73-F182 HydrophobicContact CB-CE1 3.92Å; L73-F182 HydrophobicContact CB-CE2 4.22Å; L73-F182 HydrophobicContact CB-CG 4.05Å; L73-F182 HydrophobicContact CB-CZ 4.07Å; L73-F182 HydrophobicContact CD1-CB 4.41Å; L73-F182 HydrophobicContact CD1-CD2 3.5Å; L73-F182 HydrophobicContact CD1-CE2 3.83Å; L73-F182 HydrophobicContact CD1-CG 3.94Å; L73-F182 HydrophobicContact CG-CD2 4.48Å; L73-T186 HydrophobicContact CB-CG2 4.07Å; L73-T186 HydrophobicContact CD2-CG2 4.31Å; L73-T186 WeakPolarHBondContact O-CG2 3.39Å; L73-Y187 HydrophobicContact CD1-CD2 4.48Å; L73-Y187 HydrophobicContact CD2-CD2 3.97Å; L73-Y187 HydrophobicContact CD2-CG 4.47Å |
| 74 | K | 80.2 | Confident | 78.9 | Confident | 132 Ų | 132 | 55.3 Ų | 55.3 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -55.2 | -44 | 176.6 | -77.9 | -179.2 | 178.2 | -176.2 | 0 | 112.2 | K70 A71 N76 E77 F182 | K70-K74 WeakPolarHBondContact O-CG 3.37Å; K70-K74 PolarHBondContact O-N 3.43Å; K70-K74 VanDerWaalsContact O-N 3.08Å; A71-K74 PolarHBondContact O-N 2.85Å; A71-K74 VanDerWaalsContact O-N 3.16Å; K74-N76 VanDerWaalsContact C-N 3.33Å; K74-N76 PolarHBondContact O-N 2.8Å; K74-E77 VanDerWaalsContact O-CB 3.31Å; K74-E77 WeakPolarHBondContact O-CB 3.43Å; K74-E77 PolarHBondContact O-N 2.74Å; K74-F182 HydrophobicContact CG-CE1 3.9Å; K74-F182 HydrophobicContact CG-CZ 4.22Å |
| 75 | Q | 76.9 | Confident | 78.6 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.7 | -159 | -156.4 | -19 | 0 | 0 | 111.9 | D48 I51 A71 S72 L73 E77 E78 | D48-Q75 HydrophobicContact CB-CG 4.3Å; I51-Q75 VanDerWaalsContact CG2-OE1 3.28Å; A71-Q75 PolarHBondContact O-N 2.87Å; S72-Q75 PolarHBondContact O-N 3.35Å; L73-Q75 VanDerWaalsContact C-N 3.26Å; L73-Q75 PolarHBondContact O-N 3.19Å; Q75-E77 PolarHBondContact O-N 2.82Å; Q75-E78 PolarHBondContact O-N 2.87Å |
| 76 | N | 83.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.1 | -15.2 | 178.8 | -73.8 | -31.1 | 0 | 0 | 0 | 113.5 | S72 L73 K74 E78 T79 A80 T186 T189 R193 | S72-N76 WeakPolarHBondContact O-CB 3.44Å; S72-N76 VanDerWaalsContact O-CG 3.23Å; S72-N76 PolarHBondContact O-N 3.41Å; S72-N76 PolarHBondContact O-ND2 3.47Å; S72-N76 VanDerWaalsContact O-ND2 3.15Å; S72-N76 PolarHBondContact OG-ND2 2.96Å; L73-N76 PolarHBondContact O-N 3.37Å; K74-N76 VanDerWaalsContact C-N 3.33Å; K74-N76 PolarHBondContact O-N 2.8Å; N76-E78 VanDerWaalsContact C-N 3.26Å; N76-E78 PolarHBondContact O-N 2.76Å; N76-T79 WeakPolarHBondContact CA-OG1 3.21Å; N76-T79 PolarHBondContact O-N 2.74Å; N76-T79 PolarHBondContact O-OG1 3.1Å; N76-A80 WeakPolarHBondContact O-CB 3.22Å; N76-A80 PolarHBondContact O-N 3.32Å; N76-T186 HydrophobicContact CB-CG2 4.22Å; N76-T189 HydrophobicContact CB-CG2 4.18Å; N76-R193 VanDerWaalsContact OD1-CZ 3.31Å; N76-R193 PolarHBondContact OD1-NH1 3.09Å; N76-R193 PolarHBondContact OD1-NH2 2.89Å |
| 77 | E | 82.6 | Confident | 77.9 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 174.6 | -71.6 | -167.1 | -172.4 | 0 | 0 | 112.1 | L73 K74 Q75 A80 K81 T186 | L73-E77 PolarHBondContact O-N 2.89Å; K74-E77 VanDerWaalsContact O-CB 3.31Å; K74-E77 WeakPolarHBondContact O-CB 3.43Å; K74-E77 PolarHBondContact O-N 2.74Å; Q75-E77 PolarHBondContact O-N 2.82Å; E77-A80 PolarHBondContact O-N 2.9Å; E77-K81 VanDerWaalsContact O-CB 3.31Å; E77-K81 WeakPolarHBondContact O-CB 3.47Å; E77-K81 WeakPolarHBondContact O-CD 3.23Å; E77-K81 WeakPolarHBondContact O-CG 3.43Å; E77-K81 PolarHBondContact O-N 3.45Å; E77-K81 IonicContact OE2-NZ 3.06Å; E77-K81 PolarHBondContact OE2-NZ 2.82Å; E77-T186 HydrophobicContact CB-CG2 4.43Å; E77-T186 HydrophobicContact CG-CG2 3.66Å |
| 78 | E | 78.9 | Confident | 77.3 | Confident | 152 Ų | 152 | 58.2 Ų | 58.2 | 71% | 0.71 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 178.7 | -65 | -164.7 | 155.7 | 0 | 0 | 110.9 | Q75 N76 A80 K81 A82 | Q75-E78 PolarHBondContact O-N 2.87Å; N76-E78 VanDerWaalsContact C-N 3.26Å; N76-E78 PolarHBondContact O-N 2.76Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.25Å; E78-K81 PolarHBondContact O-N 3.15Å; E78-A82 WeakPolarHBondContact O-CB 3.31Å; E78-A82 PolarHBondContact O-N 3.31Å |
| 79 | T | 78.3 | Confident | 76.7 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.153 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.1 | 39.3 | 0 | 0 | 0 | 0 | 112.2 | N76 A82 A83 | N76-T79 WeakPolarHBondContact CA-OG1 3.21Å; N76-T79 PolarHBondContact O-N 2.74Å; N76-T79 PolarHBondContact O-OG1 3.1Å; T79-A82 PolarHBondContact O-N 3.21Å; T79-A83 WeakPolarHBondContact O-CB 3.32Å; T79-A83 PolarHBondContact O-N 3.21Å |
| 80 | A | 79.5 | Confident | 75.9 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N76 E77 E78 A83 Q84 | N76-A80 WeakPolarHBondContact O-CB 3.22Å; N76-A80 PolarHBondContact O-N 3.32Å; E77-A80 PolarHBondContact O-N 2.9Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-A80 PolarHBondContact O-N 3.25Å; A80-A83 WeakPolarHBondContact O-CB 3.35Å; A80-A83 PolarHBondContact O-N 2.94Å; A80-Q84 WeakPolarHBondContact O-CG 3.38Å; A80-Q84 PolarHBondContact O-N 2.87Å |
| 81 | K | 81.2 | Confident | 75.1 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 175.7 | -74.3 | 166.8 | -169.4 | 158.3 | 0 | 111.8 | E77 E78 | E77-K81 VanDerWaalsContact O-CB 3.31Å; E77-K81 WeakPolarHBondContact O-CB 3.47Å; E77-K81 WeakPolarHBondContact O-CD 3.23Å; E77-K81 WeakPolarHBondContact O-CG 3.43Å; E77-K81 PolarHBondContact O-N 3.45Å; E77-K81 IonicContact OE2-NZ 3.06Å; E77-K81 PolarHBondContact OE2-NZ 2.82Å; E78-K81 PolarHBondContact O-N 3.15Å |
| 82 | A | 77.7 | Confident | 74.5 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | E78 T79 Q84 K85 E86 | E78-A82 WeakPolarHBondContact O-CB 3.31Å; E78-A82 PolarHBondContact O-N 3.31Å; T79-A82 PolarHBondContact O-N 3.21Å; A82-Q84 VanDerWaalsContact C-N 3.32Å; A82-Q84 PolarHBondContact O-N 3.39Å; A82-K85 PolarHBondContact O-N 3.49Å; A82-K85 VanDerWaalsContact O-N 3.1Å; A82-E86 PolarHBondContact O-N 3.07Å |
| 83 | A | 73.8 | Confident | 73.7 | Confident | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | T79 A80 K85 E86 L143 S146 | T79-A83 WeakPolarHBondContact O-CB 3.32Å; T79-A83 PolarHBondContact O-N 3.21Å; A80-A83 WeakPolarHBondContact O-CB 3.35Å; A80-A83 PolarHBondContact O-N 2.94Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.12Å; A83-E86 PolarHBondContact O-N 3.16Å; A83-L143 HydrophobicContact CB-CD1 3.48Å; A83-L143 VanDerWaalsContact CB-CD1 3.48Å; A83-S146 WeakPolarHBondContact CB-OG 3.41Å |
| 84 | Q | 70.3 | Confident | 72.4 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -26 | 178.4 | -75.9 | 179.2 | -4.1 | 0 | 0 | 113.7 | A80 A82 | A80-Q84 WeakPolarHBondContact O-CG 3.38Å; A80-Q84 PolarHBondContact O-N 2.87Å; A82-Q84 VanDerWaalsContact C-N 3.32Å; A82-Q84 PolarHBondContact O-N 3.39Å |
| 85 | K | 72.3 | Confident | 71.4 | Confident | 185 Ų | 185 | 71.2 Ų | 71.2 | 80% | 0.804 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -89.6 | -18.2 | 178.9 | -67 | 179.7 | -177.3 | 179.7 | 0 | 113.1 | A82 A83 | A82-K85 PolarHBondContact O-N 3.49Å; A82-K85 VanDerWaalsContact O-N 3.1Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.12Å |
| 86 | E | 69.4 | Low | 70.3 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 34% | 0.341 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -69.8 | 136.8 | -179.3 | -86.7 | -176.4 | 179.3 | 0 | 0 | 111.7 | A82 A83 S146 | A82-E86 PolarHBondContact O-N 3.07Å; A83-E86 PolarHBondContact O-N 3.16Å; E86-S146 WeakPolarHBondContact OE2-CB 3.5Å |
| 87 | D | 69.8 | Low | 69.3 | Low | 119 Ų | 119 | 77.6 Ų | 77.6 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | trans | -66.4 | 147.8 | 173.8 | -171.7 | 12.5 | 0 | 0 | 0 | 110.5 | S89 K149 | D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 VanDerWaalsContact O-N 3.13Å; D87-K149 PolarHBondContact O-NZ 2.61Å | ||
| 88 | L | 69.1 | Low | 68.9 | Low | 31 Ų | 31 | 80.2 Ų | 80.2 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | trans | -74.1 | 6 | 178 | -81.2 | 163.8 | 0 | 0 | 0 | 113.2 | L104 I107 R142 | L88-L104 HydrophobicContact CD2-CD2 4.44Å; L88-L104 WeakPolarHBondContact O-CD1 3.45Å; L88-I107 HydrophobicContact CD2-CD1 4.1Å; L88-I107 HydrophobicContact CD2-CG1 4.5Å; L88-R142 HydrophobicContact CD1-CG 4.08Å; L88-R142 HydrophobicContact CD2-CB 4.03Å; L88-R142 HydrophobicContact CD2-CG 3.86Å; L88-R142 HydrophobicContact CG-CG 4.44Å | ||
| 89 | S | 69.2 | Low | 69.1 | Low | 66 Ų | 66 | 76.6 Ų | 76.6 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 142.8 | 178.9 | 91.1 | 0 | 0 | 0 | 0 | 111.5 | D87 K149 | D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 VanDerWaalsContact O-N 3.13Å; S89-K149 WeakPolarHBondContact O-CE 3.24Å; S89-K149 PolarHBondContact O-NZ 3.45Å |
| 90 | A | 64.9 | Low | 69.4 | Low | 12 Ų | 12 | 75.8 Ų | 75.8 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 150.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I96 L104 | A90-I96 HydrophobicContact CB-CD1 3.54Å; A90-I96 HydrophobicContact CB-CG1 3.68Å; A90-I96 HydrophobicContact CB-CG2 4.09Å; A90-L104 HydrophobicContact CB-CD1 4.31Å |
| 91 | P | 63.8 | Low | 69.7 | Low | 29 Ų | 29 | 83 Ų | 83 | 19% | 0.188 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 144 | 175.7 | -7.9 | 15.5 | 0 | 0 | 0 | 111.5 | G93 V94 K149 V152 F158 | P91-G93 PolarHBondContact O-N 3.47Å; P91-V94 HydrophobicContact CB-CG2 4.09Å; P91-V94 HydrophobicContact CG-CG2 3.85Å; P91-V94 PolarHBondContact O-N 3.39Å; P91-K149 HydrophobicContact CG-CG 4.14Å; P91-V152 HydrophobicContact CG-CG2 4.09Å; P91-F158 HydrophobicContact CG-CE1 4.45Å; P91-F158 HydrophobicContact CG-CZ 4.45Å |
| 92 | T | 63.2 | Low | 70 | Confident | 152 Ų | 152 | 83.4 Ų | 83.4 | 93% | 0.933 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 125.8 | 168.6 | 35 | 0 | 0 | 0 | 0 | 110.2 | ||
| 93 | G | 60.5 | Low | 70.6 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 85% | 0.845 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.7 | -14.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | P91 K95 | P91-G93 PolarHBondContact O-N 3.47Å; G93-K95 PolarHBondContact O-N 2.79Å |
| 94 | V | 56.4 | Low | 71.4 | Confident | 32 Ų | 32 | 83.6 Ų | 83.6 | 19% | 0.194 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -73.5 | 117.9 | 166.6 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | P91 I96 V152 | P91-V94 HydrophobicContact CB-CG2 4.09Å; P91-V94 HydrophobicContact CG-CG2 3.85Å; P91-V94 PolarHBondContact O-N 3.39Å; V94-I96 WeakPolarHBondContact O-CG1 3.47Å; V94-I96 PolarHBondContact O-N 3.05Å; V94-V152 HydrophobicContact CG2-CG1 3.99Å |
| 95 | K | 58 | Low | 72.3 | Confident | 188 Ų | 188 | 85.6 Ų | 85.6 | 82% | 0.817 | 45% | 0.453 | S | S | * | . | trans | -60.9 | 97.5 | 164.7 | -75.7 | -175.5 | -178.9 | 177.5 | 0 | 106 | G93 N97 | G93-K95 PolarHBondContact O-N 2.79Å; K95-N97 PolarHBondContact O-N 3.41Å | ||
| 96 | I | 55 | Low | 73.1 | Confident | 52 Ų | 52 | 83 Ų | 83 | 27% | 0.267 | 44% | 0.444 | S | S | . | . | trans | -73.7 | 88.8 | -171.4 | -42.4 | 168.9 | 0 | 0 | 0 | 107.2 | A90 V94 V100 R101 | A90-I96 HydrophobicContact CB-CD1 3.54Å; A90-I96 HydrophobicContact CB-CG1 3.68Å; A90-I96 HydrophobicContact CB-CG2 4.09Å; V94-I96 WeakPolarHBondContact O-CG1 3.47Å; V94-I96 PolarHBondContact O-N 3.05Å; I96-V100 HydrophobicContact CG2-CB 3.98Å; I96-V100 HydrophobicContact CG2-CG1 4.43Å; I96-R101 HydrophobicContact CG2-CG 3.52Å | ||
| 97 | N | 62.6 | Low | 74.2 | Confident | 112 Ų | 112 | 79.9 Ų | 79.9 | 60% | 0.599 | 43% | 0.429 | S | S | * | . | trans | -61.8 | 149 | 169.8 | -68.6 | -18.6 | 0 | 0 | 0 | 108.7 | K95 P99 V100 | K95-N97 PolarHBondContact O-N 3.41Å; N97-P99 WeakPolarHBondContact O-CD 3.38Å; N97-P99 VanDerWaalsContact O-N 3.1Å; N97-V100 PolarHBondContact O-N 3.3Å; N97-V100 VanDerWaalsContact O-N 3.08Å | ||
| 98 | D | 72.5 | Confident | 75 | Confident | 116 Ų | 116 | 75.9 Ų | 75.9 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -45.8 | -39.1 | -177.6 | -155.4 | 16 | 0 | 0 | 0 | 114.3 | V100 R101 M102 | D98-V100 PolarHBondContact O-N 3.01Å; D98-R101 PolarHBondContact O-N 2.94Å; D98-M102 WeakPolarHBondContact O-CG 3.27Å; D98-M102 PolarHBondContact O-N 3.39Å |
| 99 | P | 83.9 | Confident | 76 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | -179.7 | -25.1 | 36 | 0 | 0 | 0 | 114.3 | N97 M102 Y103 L159 | N97-P99 WeakPolarHBondContact O-CD 3.38Å; N97-P99 VanDerWaalsContact O-N 3.1Å; P99-M102 PolarHBondContact O-N 2.96Å; P99-Y103 WeakPolarHBondContact O-CB 3.42Å; P99-Y103 PolarHBondContact O-N 3.43Å; P99-L159 HydrophobicContact CB-CD1 4.25Å |
| 100 | V | 85.4 | Confident | 76.9 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 6% | 0.055 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 179.1 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | I96 N97 D98 Y103 L104 F158 L159 | I96-V100 HydrophobicContact CG2-CB 3.98Å; I96-V100 HydrophobicContact CG2-CG1 4.43Å; N97-V100 PolarHBondContact O-N 3.3Å; N97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 PolarHBondContact O-N 3.01Å; V100-Y103 PolarHBondContact O-N 3.17Å; V100-L104 HydrophobicContact CG1-CD1 3.91Å; V100-L104 HydrophobicContact CG1-CG 4.31Å; V100-L104 WeakPolarHBondContact O-CB 3.37Å; V100-L104 WeakPolarHBondContact O-CG 3.07Å; V100-L104 PolarHBondContact O-N 3.43Å; V100-F158 HydrophobicContact CG1-CD1 4Å; V100-F158 HydrophobicContact CG1-CE1 4.24Å; V100-L159 HydrophobicContact CB-CD2 4.22Å; V100-L159 HydrophobicContact CG1-CD2 4.2Å; V100-L159 HydrophobicContact CG2-CD1 3.83Å; V100-L159 HydrophobicContact CG2-CD2 3.87Å; V100-L159 HydrophobicContact CG2-CG 3.7Å |
| 101 | R | 85.4 | Confident | 78 | Confident | 151 Ų | 151 | 86.3 Ų | 86.3 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 178.1 | -86.1 | 163.3 | 178.5 | -163.9 | 1.6 | 111.7 | I96 D98 L104 K105 | I96-R101 HydrophobicContact CG2-CG 3.52Å; D98-R101 PolarHBondContact O-N 2.94Å; R101-L104 PolarHBondContact O-N 3.5Å; R101-K105 VanDerWaalsContact O-CB 3.28Å; R101-K105 WeakPolarHBondContact O-CB 3.35Å; R101-K105 PolarHBondContact O-N 3.46Å |
| 102 | M | 87.4 | Confident | 79.3 | Confident | 118 Ų | 118 | 89.4 Ų | 89.4 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59 | -49.7 | 176.4 | -72.1 | -178.5 | 65.6 | 0 | 0 | 110.9 | D98 P99 K105 E106 | D98-M102 WeakPolarHBondContact O-CG 3.27Å; D98-M102 PolarHBondContact O-N 3.39Å; P99-M102 PolarHBondContact O-N 2.96Å; M102-K105 PolarHBondContact O-N 3.42Å; M102-E106 WeakPolarHBondContact O-CB 3.2Å; M102-E106 PolarHBondContact O-N 3.12Å |
| 103 | Y | 90.6 | Very high | 80.6 | Confident | 37 Ų | 37 | 83.4 Ų | 83.4 | 15% | 0.145 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.3 | -50 | 178.2 | 179.3 | -101 | 0 | 0 | 0 | 112.3 | P99 V100 K105 E106 I107 V145 I162 N166 | P99-Y103 WeakPolarHBondContact O-CB 3.42Å; P99-Y103 PolarHBondContact O-N 3.43Å; V100-Y103 PolarHBondContact O-N 3.17Å; Y103-K105 VanDerWaalsContact C-N 3.26Å; Y103-K105 PolarHBondContact O-N 2.86Å; Y103-E106 PolarHBondContact O-N 3.03Å; Y103-E106 VanDerWaalsContact O-N 3.12Å; Y103-I107 HydrophobicContact CD1-CD1 4.38Å; Y103-I107 HydrophobicContact CD2-CG2 4.33Å; Y103-I107 HydrophobicContact CE1-CD1 3.91Å; Y103-I107 HydrophobicContact CE1-CG2 4.05Å; Y103-I107 HydrophobicContact CE2-CG2 3.86Å; Y103-I107 PolarHBondContact O-N 2.71Å; Y103-V145 HydrophobicContact CE1-CG2 4.17Å; Y103-I162 HydrophobicContact CD1-CG2 4.47Å; Y103-I162 HydrophobicContact CE1-CD1 4.46Å; Y103-I162 HydrophobicContact CE1-CG2 3.56Å; Y103-N166 PolarHBondContact OH-ND2 3.12Å |
| 104 | L | 90 | Very high | 82.1 | Confident | 15 Ų | 15 | 83 Ų | 83 | 8% | 0.079 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.7 | -35.5 | 178.9 | -69 | 172.4 | 0 | 0 | 0 | 112.6 | L88 A90 V100 R101 I107 G108 V145 | L88-L104 HydrophobicContact CD2-CD2 4.44Å; L88-L104 WeakPolarHBondContact O-CD1 3.45Å; A90-L104 HydrophobicContact CB-CD1 4.31Å; V100-L104 HydrophobicContact CG1-CD1 3.91Å; V100-L104 HydrophobicContact CG1-CG 4.31Å; V100-L104 WeakPolarHBondContact O-CB 3.37Å; V100-L104 WeakPolarHBondContact O-CG 3.07Å; V100-L104 PolarHBondContact O-N 3.43Å; R101-L104 PolarHBondContact O-N 3.5Å; L104-I107 HydrophobicContact CD2-CD1 4.16Å; L104-I107 WeakPolarHBondContact O-CG1 3.45Å; L104-G108 PolarHBondContact O-N 2.95Å; L104-G108 VanDerWaalsContact O-N 3.16Å; L104-V145 HydrophobicContact CD2-CB 4.36Å; L104-V145 HydrophobicContact CD2-CG1 3.57Å; L104-V145 HydrophobicContact CD2-CG2 3.9Å |
| 105 | K | 88.7 | Confident | 83.6 | Confident | 144 Ų | 144 | 84 Ų | 84 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.7 | -37.7 | 176.1 | -176 | 178.9 | -179.4 | 179.6 | 0 | 112.1 | R101 M102 Y103 G108 | R101-K105 VanDerWaalsContact O-CB 3.28Å; R101-K105 WeakPolarHBondContact O-CB 3.35Å; R101-K105 PolarHBondContact O-N 3.46Å; M102-K105 PolarHBondContact O-N 3.42Å; Y103-K105 VanDerWaalsContact C-N 3.26Å; Y103-K105 PolarHBondContact O-N 2.86Å; K105-G108 PolarHBondContact O-N 2.92Å |
| 106 | E | 90.2 | Very high | 85.1 | Confident | 131 Ų | 131 | 83 Ų | 83 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67 | -51.6 | 179.4 | -173.8 | 169 | -160.4 | 0 | 0 | 111.3 | M102 Y103 G108 R109 | M102-E106 WeakPolarHBondContact O-CB 3.2Å; M102-E106 PolarHBondContact O-N 3.12Å; Y103-E106 PolarHBondContact O-N 3.03Å; Y103-E106 VanDerWaalsContact O-N 3.12Å; E106-G108 PolarHBondContact O-N 2.99Å; E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 3.49Å; E106-R109 VanDerWaalsContact O-N 3.1Å |
| 107 | I | 90.8 | Very high | 86.9 | Confident | 7 Ų | 7 | 83.2 Ų | 83.2 | 4% | 0.036 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -24.1 | 177.4 | 70.9 | 176.3 | 0 | 0 | 0 | 112.5 | L88 Y103 L104 R109 V110 L141 R142 V145 | L88-I107 HydrophobicContact CD2-CD1 4.1Å; L88-I107 HydrophobicContact CD2-CG1 4.5Å; Y103-I107 HydrophobicContact CD1-CD1 4.38Å; Y103-I107 HydrophobicContact CD2-CG2 4.33Å; Y103-I107 HydrophobicContact CE1-CD1 3.91Å; Y103-I107 HydrophobicContact CE1-CG2 4.05Å; Y103-I107 HydrophobicContact CE2-CG2 3.86Å; Y103-I107 PolarHBondContact O-N 2.71Å; L104-I107 HydrophobicContact CD2-CD1 4.16Å; L104-I107 WeakPolarHBondContact O-CG1 3.45Å; I107-R109 PolarHBondContact O-N 3.18Å; I107-V110 PolarHBondContact O-N 3.29Å; I107-L141 HydrophobicContact CB-CB 4.05Å; I107-L141 HydrophobicContact CB-CD1 4.31Å; I107-L141 HydrophobicContact CD1-CB 4.4Å; I107-L141 HydrophobicContact CG2-CB 3.87Å; I107-L141 HydrophobicContact CG2-CD1 3.55Å; I107-L141 HydrophobicContact CG2-CG 4.35Å; I107-R142 HydrophobicContact CD1-CG 4.46Å; I107-R142 HydrophobicContact CG1-CG 4.46Å; I107-V145 HydrophobicContact CD1-CG2 3.57Å |
| 108 | G | 87.4 | Confident | 88.4 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L104 K105 E106 | L104-G108 PolarHBondContact O-N 2.95Å; L104-G108 VanDerWaalsContact O-N 3.16Å; K105-G108 PolarHBondContact O-N 2.92Å; E106-G108 PolarHBondContact O-N 2.99Å |
| 109 | R | 89.2 | Confident | 89.3 | Confident | 190 Ų | 190 | 75.6 Ų | 75.6 | 72% | 0.717 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -21.5 | 177.3 | -67.9 | 171.5 | 174.8 | -178.1 | -4.2 | 113.1 | E106 I107 | E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 3.49Å; E106-R109 VanDerWaalsContact O-N 3.1Å; I107-R109 PolarHBondContact O-N 3.18Å |
| 110 | V | 89.4 | Confident | 89.8 | Confident | 47 Ų | 47 | 78 Ų | 78 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -77 | 128.6 | -179.1 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | I107 E138 A139 | I107-V110 PolarHBondContact O-N 3.29Å; V110-E138 HydrophobicContact CG1-CB 4.3Å; V110-A139 HydrophobicContact CG1-CB 4.37Å |
| 111 | S | 88.2 | Confident | 90.2 | Very high | 92 Ų | 92 | 78 Ų | 78 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -70 | 143.4 | 177.4 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 112 | L | 90.2 | Very high | 90.5 | Very high | 94 Ų | 94 | 71.1 Ų | 71.1 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.1 | 173.6 | -61.7 | 174.7 | 0 | 0 | 0 | 110.1 | ||
| 113 | L | 91.2 | Very high | 90.8 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 147.2 | 174.2 | -63 | 165.3 | 0 | 0 | 0 | 110.6 | E117 E118 L121 L136 A139 | L113-E117 HydrophobicContact CB-CB 4.25Å; L113-E117 HydrophobicContact CD2-CB 3.95Å; L113-E118 HydrophobicContact CB-CG 4.16Å; L113-L121 HydrophobicContact CD1-CD1 3.49Å; L113-L121 VanDerWaalsContact CD1-CD1 3.49Å; L113-L121 HydrophobicContact CD2-CD1 3.93Å; L113-L121 HydrophobicContact CG-CD1 4.36Å; L113-L136 HydrophobicContact CD1-CD1 3.79Å; L113-A139 HydrophobicContact CD1-CB 3.44Å; L113-A139 VanDerWaalsContact CD1-CB 3.44Å; L113-A139 HydrophobicContact CD2-CB 4.45Å; L113-A139 HydrophobicContact CG-CB 3.51Å |
| 114 | T | 91.1 | Very high | 91 | Very high | 75 Ų | 75 | 69.7 Ų | 69.7 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 161.3 | 165 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | E116 E117 E118 | T114-E116 PolarHBondContact O-N 2.99Å; T114-E117 WeakPolarHBondContact CB-OE2 3.28Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.27Å; T114-E117 PolarHBondContact N-OE2 3.16Å; T114-E117 PolarHBondContact O-N 3.38Å; T114-E117 VanDerWaalsContact OG1-CG 3.23Å; T114-E117 WeakPolarHBondContact OG1-CG 3.35Å; T114-E117 PolarHBondContact OG1-N 3.3Å; T114-E117 PolarHBondContact OG1-OE2 3Å; T114-E118 WeakPolarHBondContact O-CG 3.36Å; T114-E118 PolarHBondContact O-N 3.49Å |
| 115 | A | 87.7 | Confident | 91.1 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62 | -29.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V119 | A115-V119 WeakPolarHBondContact O-CG2 3.43Å; A115-V119 PolarHBondContact O-N 3.31Å |
| 116 | E | 90.9 | Very high | 91.2 | Very high | 167 Ų | 167 | 67.9 Ų | 67.9 | 78% | 0.78 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71 | -44.1 | 176 | -65.8 | 176.3 | -175.3 | 0 | 0 | 111 | T114 E118 V119 E120 | T114-E116 PolarHBondContact O-N 2.99Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 3.24Å; E116-V119 PolarHBondContact O-N 3.22Å; E116-E120 PolarHBondContact O-N 3.01Å |
| 117 | E | 93.2 | Very high | 91.3 | Very high | 58 Ų | 58 | 69 Ų | 69 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 174.5 | -69.1 | 168.5 | 125.1 | 0 | 0 | 112.1 | L113 T114 V119 E120 L121 R135 | L113-E117 HydrophobicContact CB-CB 4.25Å; L113-E117 HydrophobicContact CD2-CB 3.95Å; T114-E117 WeakPolarHBondContact CB-OE2 3.28Å; T114-E117 WeakPolarHBondContact CG2-OE2 3.27Å; T114-E117 PolarHBondContact N-OE2 3.16Å; T114-E117 PolarHBondContact O-N 3.38Å; T114-E117 VanDerWaalsContact OG1-CG 3.23Å; T114-E117 WeakPolarHBondContact OG1-CG 3.35Å; T114-E117 PolarHBondContact OG1-N 3.3Å; T114-E117 PolarHBondContact OG1-OE2 3Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 2.98Å; E117-E120 PolarHBondContact O-N 3.15Å; E117-L121 WeakPolarHBondContact O-CB 3.34Å; E117-L121 VanDerWaalsContact O-CG 3.27Å; E117-L121 WeakPolarHBondContact O-CG 3.5Å; E117-L121 PolarHBondContact O-N 3.04Å; E117-R135 IonicContact OE1-NH2 3.66Å |
| 118 | E | 92.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 70.7 Ų | 70.7 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 173.2 | -73 | 177.8 | 174.6 | 0 | 0 | 111.3 | L113 T114 E116 A122 L136 F184 | L113-E118 HydrophobicContact CB-CG 4.16Å; T114-E118 WeakPolarHBondContact O-CG 3.36Å; T114-E118 PolarHBondContact O-N 3.49Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 3.24Å; E118-A122 WeakPolarHBondContact O-CB 3.5Å; E118-A122 PolarHBondContact O-N 2.94Å; E118-L136 HydrophobicContact CG-CD1 4.39Å; E118-F184 HydrophobicContact CB-CB 4.4Å; E118-F184 HydrophobicContact CG-CB 4.06Å; E118-F184 WeakPolarHBondContact OE2-CB 3.4Å; E118-F184 PolarHBondContact OE2-N 3.47Å |
| 119 | V | 92 | Very high | 91.7 | Very high | 56 Ų | 56 | 72 Ų | 72 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.6 | -41.9 | 178.7 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | A115 E116 E117 L121 A122 L123 Y178 | A115-V119 WeakPolarHBondContact O-CG2 3.43Å; A115-V119 PolarHBondContact O-N 3.31Å; E116-V119 PolarHBondContact O-N 3.22Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 2.98Å; V119-L121 PolarHBondContact O-N 3.22Å; V119-A122 PolarHBondContact O-N 3.03Å; V119-L123 HydrophobicContact CG1-CD1 4.27Å; V119-L123 WeakPolarHBondContact O-CG 3.31Å; V119-L123 PolarHBondContact O-N 2.94Å; V119-Y178 HydrophobicContact CG1-CD2 4.1Å; V119-Y178 HydrophobicContact CG1-CG 4.3Å |
| 120 | E | 94 | Very high | 92 | Very high | 127 Ų | 127 | 68.9 Ų | 68.9 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | 176.6 | -173.8 | 179.6 | -173.4 | 0 | 0 | 111.3 | E116 E117 A122 L123 L124 | E116-E120 PolarHBondContact O-N 3.01Å; E117-E120 PolarHBondContact O-N 3.15Å; E120-A122 PolarHBondContact O-N 3.48Å; E120-L123 WeakPolarHBondContact O-CB 3.43Å; E120-L123 PolarHBondContact O-N 3.34Å; E120-L124 PolarHBondContact O-N 3.1Å |
| 121 | L | 94.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 74.1 Ų | 74.1 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.6 | -68.8 | 171.1 | 0 | 0 | 0 | 111.5 | L113 E117 V119 L123 L124 I125 A132 R135 L136 | L113-L121 HydrophobicContact CD1-CD1 3.49Å; L113-L121 VanDerWaalsContact CD1-CD1 3.49Å; L113-L121 HydrophobicContact CD2-CD1 3.93Å; L113-L121 HydrophobicContact CG-CD1 4.36Å; E117-L121 WeakPolarHBondContact O-CB 3.34Å; E117-L121 VanDerWaalsContact O-CG 3.27Å; E117-L121 WeakPolarHBondContact O-CG 3.5Å; E117-L121 PolarHBondContact O-N 3.04Å; V119-L121 PolarHBondContact O-N 3.22Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 3.18Å; L121-L124 PolarHBondContact O-N 3.36Å; L121-L124 VanDerWaalsContact O-N 3.16Å; L121-I125 WeakPolarHBondContact O-CB 3.21Å; L121-I125 WeakPolarHBondContact O-CD1 3.18Å; L121-I125 WeakPolarHBondContact O-CG1 3.21Å; L121-I125 PolarHBondContact O-N 2.72Å; L121-A132 HydrophobicContact CD2-CB 3.95Å; L121-R135 HydrophobicContact CD1-CG 4.13Å; L121-R135 HydrophobicContact CD2-CB 4.38Å; L121-R135 HydrophobicContact CD2-CG 4.37Å; L121-L136 HydrophobicContact CB-CB 4.48Å; L121-L136 HydrophobicContact CD1-CB 4.25Å; L121-L136 HydrophobicContact CD1-CD1 4.35Å |
| 122 | A | 92.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 69.9 Ų | 69.9 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E118 V119 E120 L124 I125 E126 F176 Y178 | E118-A122 WeakPolarHBondContact O-CB 3.5Å; E118-A122 PolarHBondContact O-N 2.94Å; V119-A122 PolarHBondContact O-N 3.03Å; E120-A122 PolarHBondContact O-N 3.48Å; A122-L124 PolarHBondContact O-N 3.05Å; A122-I125 PolarHBondContact O-N 3.26Å; A122-E126 PolarHBondContact O-N 3.23Å; A122-F176 HydrophobicContact CB-CD1 3.67Å; A122-F176 HydrophobicContact CB-CE1 3.84Å; A122-Y178 HydrophobicContact CB-CD1 3.69Å; A122-Y178 HydrophobicContact CB-CE1 4.49Å; A122-Y178 HydrophobicContact CB-CG 4.35Å |
| 123 | L | 93.2 | Very high | 92.8 | Very high | 69 Ų | 69 | 67 Ų | 67 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 175.2 | -74.6 | 164.8 | 0 | 0 | 0 | 112.7 | V119 E120 L121 Q127 Y178 | V119-L123 HydrophobicContact CG1-CD1 4.27Å; V119-L123 WeakPolarHBondContact O-CG 3.31Å; V119-L123 PolarHBondContact O-N 2.94Å; E120-L123 WeakPolarHBondContact O-CB 3.43Å; E120-L123 PolarHBondContact O-N 3.34Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 3.18Å; L123-Q127 WeakPolarHBondContact O-CG 3.38Å; L123-Q127 PolarHBondContact O-NE2 3.35Å; L123-Y178 HydrophobicContact CD2-CE1 4.01Å; L123-Y178 HydrophobicContact CD2-CE2 4.1Å; L123-Y178 VanDerWaalsContact CD2-OH 3.27Å; L123-Y178 WeakPolarHBondContact CD2-OH 3.41Å; L123-Y178 HydrophobicContact CG-CE1 4.35Å |
| 124 | L | 94 | Very high | 93 | Very high | 56 Ų | 56 | 70.4 Ų | 70.4 | 29% | 0.293 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.9 | -37.9 | 175.1 | -67.5 | 172.3 | 0 | 0 | 0 | 111.7 | E120 L121 A122 E126 Q127 G128 D129 A132 | E120-L124 PolarHBondContact O-N 3.1Å; L121-L124 PolarHBondContact O-N 3.36Å; L121-L124 VanDerWaalsContact O-N 3.16Å; A122-L124 PolarHBondContact O-N 3.05Å; L124-E126 PolarHBondContact O-N 2.8Å; L124-Q127 CarbonylContact O-C 3.59Å; L124-Q127 WeakPolarHBondContact O-CA 3Å; L124-Q127 WeakPolarHBondContact O-CB 3.21Å; L124-Q127 PolarHBondContact O-N 3.37Å; L124-G128 PolarHBondContact O-N 2.86Å; L124-D129 HydrophobicContact CB-CB 4.01Å; L124-D129 VanDerWaalsContact O-CB 3.27Å; L124-D129 WeakPolarHBondContact O-CB 3.26Å; L124-D129 PolarHBondContact O-N 3.12Å; L124-D129 VanDerWaalsContact O-N 3.14Å; L124-A132 HydrophobicContact CB-CB 3.64Å; L124-A132 HydrophobicContact CD1-CB 4.27Å |
| 125 | I | 93.5 | Very high | 93.1 | Very high | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177 | -67.8 | 165.3 | 0 | 0 | 0 | 111.1 | L121 A122 Q127 G128 A132 K133 L136 V173 | L121-I125 WeakPolarHBondContact O-CB 3.21Å; L121-I125 WeakPolarHBondContact O-CD1 3.18Å; L121-I125 WeakPolarHBondContact O-CG1 3.21Å; L121-I125 PolarHBondContact O-N 2.72Å; A122-I125 PolarHBondContact O-N 3.26Å; I125-Q127 PolarHBondContact O-N 3.49Å; I125-G128 PolarHBondContact O-N 3.46Å; I125-A132 HydrophobicContact CG1-CB 3.83Å; I125-K133 HydrophobicContact CB-CG 4.25Å; I125-K133 HydrophobicContact CD1-CG 4.14Å; I125-K133 HydrophobicContact CG1-CB 4.38Å; I125-K133 HydrophobicContact CG1-CG 3.67Å; I125-K133 HydrophobicContact CG2-CD 4.34Å; I125-K133 HydrophobicContact CG2-CG 3.71Å; I125-L136 HydrophobicContact CD1-CB 4.08Å; I125-L136 HydrophobicContact CD1-CD2 3.57Å; I125-L136 HydrophobicContact CD1-CG 4.47Å; I125-V173 HydrophobicContact CD1-CG1 3.95Å |
| 126 | E | 90.5 | Very high | 93.5 | Very high | 103 Ų | 103 | 70.6 Ų | 70.6 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58 | -29.2 | 172.5 | -78.3 | -171.4 | 152.7 | 0 | 0 | 112.1 | A122 L124 G128 Y178 R179 | A122-E126 PolarHBondContact O-N 3.23Å; L124-E126 PolarHBondContact O-N 2.8Å; E126-G128 VanDerWaalsContact C-N 3.29Å; E126-Y178 HydrophobicContact CG-CE1 4.4Å; E126-Y178 WeakPolarHBondContact OE1-CE1 3.45Å; E126-Y178 WeakPolarHBondContact OE2-CE1 3.35Å; E126-Y178 PolarHBondContact OE2-OH 2.87Å; E126-R179 IonicContact OE1-NH2 2.78Å; E126-R179 IonicContact OE2-NH2 2.75Å |
| 127 | Q | 92.8 | Very high | 93.7 | Very high | 154 Ų | 154 | 62.8 Ų | 62.8 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.6 | 176.9 | -61.8 | 169.6 | 36.4 | 0 | 0 | 113.2 | L123 L124 I125 | L123-Q127 WeakPolarHBondContact O-CG 3.38Å; L123-Q127 PolarHBondContact O-NE2 3.35Å; L124-Q127 CarbonylContact O-C 3.59Å; L124-Q127 WeakPolarHBondContact O-CA 3Å; L124-Q127 WeakPolarHBondContact O-CB 3.21Å; L124-Q127 PolarHBondContact O-N 3.37Å; I125-Q127 PolarHBondContact O-N 3.49Å |
| 128 | G | 92.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 12.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L124 I125 E126 Q130 | L124-G128 PolarHBondContact O-N 2.86Å; I125-G128 PolarHBondContact O-N 3.46Å; E126-G128 VanDerWaalsContact C-N 3.29Å; G128-Q130 PolarHBondContact O-N 3.12Å |
| 129 | D | 94.5 | Very high | 93.8 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 33% | 0.326 | 31% | 0.314 | S | S | . | . | trans | -68.1 | 114.8 | 178.3 | -169.8 | -29.3 | 0 | 0 | 0 | 111.6 | L124 E131 A132 K133 | L124-D129 HydrophobicContact CB-CB 4.01Å; L124-D129 VanDerWaalsContact O-CB 3.27Å; L124-D129 WeakPolarHBondContact O-CB 3.26Å; L124-D129 PolarHBondContact O-N 3.12Å; L124-D129 VanDerWaalsContact O-N 3.14Å; D129-E131 WeakPolarHBondContact OD1-CA 3.41Å; D129-E131 WeakPolarHBondContact OD1-CB 3.47Å; D129-E131 PolarHBondContact OD1-N 2.84Å; D129-A132 HydrophobicContact CB-CB 3.88Å; D129-A132 PolarHBondContact OD1-N 3.18Å; D129-K133 PolarHBondContact O-N 3.31Å | ||
| 130 | Q | 94.5 | Very high | 93.9 | Very high | 125 Ų | 125 | 61.3 Ų | 61.3 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -78 | -30.3 | 179.4 | -62.3 | -59.4 | -43.5 | 0 | 0 | 113 | G128 A132 K133 Q134 | G128-Q130 PolarHBondContact O-N 3.12Å; Q130-A132 VanDerWaalsContact C-N 3.33Å; Q130-K133 PolarHBondContact O-N 2.98Å; Q130-Q134 PolarHBondContact O-N 2.77Å |
| 131 | E | 95.1 | Very high | 93.9 | Very high | 157 Ų | 157 | 56.7 Ų | 56.7 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68 | -40.1 | 176.9 | -171.6 | 178.9 | 168.1 | 0 | 0 | 109.7 | D129 K133 Q134 R135 | D129-E131 WeakPolarHBondContact OD1-CA 3.41Å; D129-E131 WeakPolarHBondContact OD1-CB 3.47Å; D129-E131 PolarHBondContact OD1-N 2.84Å; E131-K133 PolarHBondContact O-N 2.89Å; E131-Q134 PolarHBondContact O-N 3.2Å; E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 PolarHBondContact O-N 2.96Å |
| 132 | A | 94.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L121 L124 I125 D129 Q130 R135 L136 | L121-A132 HydrophobicContact CD2-CB 3.95Å; L124-A132 HydrophobicContact CB-CB 3.64Å; L124-A132 HydrophobicContact CD1-CB 4.27Å; I125-A132 HydrophobicContact CG1-CB 3.83Å; D129-A132 HydrophobicContact CB-CB 3.88Å; D129-A132 PolarHBondContact OD1-N 3.18Å; Q130-A132 VanDerWaalsContact C-N 3.33Å; A132-R135 PolarHBondContact O-N 3.07Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 3.41Å |
| 133 | K | 94.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 60 Ų | 60 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 173.7 | -74.8 | -171.3 | 177.7 | -171 | 0 | 111.5 | I125 D129 Q130 E131 L136 A137 V173 E174 | I125-K133 HydrophobicContact CB-CG 4.25Å; I125-K133 HydrophobicContact CD1-CG 4.14Å; I125-K133 HydrophobicContact CG1-CB 4.38Å; I125-K133 HydrophobicContact CG1-CG 3.67Å; I125-K133 HydrophobicContact CG2-CD 4.34Å; I125-K133 HydrophobicContact CG2-CG 3.71Å; D129-K133 PolarHBondContact O-N 3.31Å; Q130-K133 PolarHBondContact O-N 2.98Å; E131-K133 PolarHBondContact O-N 2.89Å; K133-L136 PolarHBondContact O-N 3.38Å; K133-A137 WeakPolarHBondContact O-CB 3.26Å; K133-A137 PolarHBondContact O-N 2.97Å; K133-V173 HydrophobicContact CB-CG1 4.01Å; K133-V173 HydrophobicContact CG-CG1 4.04Å; K133-E174 IonicContact NZ-OE1 2.8Å |
| 134 | Q | 95 | Very high | 94 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | -179.7 | -174.2 | 63.7 | 19.9 | 0 | 0 | 111 | Q130 E131 L136 A137 E138 | Q130-Q134 PolarHBondContact O-N 2.77Å; E131-Q134 PolarHBondContact O-N 3.2Å; Q134-L136 PolarHBondContact O-N 2.95Å; Q134-A137 PolarHBondContact O-N 3.32Å; Q134-E138 HydrophobicContact CG-CG 4.3Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.46Å; Q134-E138 PolarHBondContact NE2-OE1 2.83Å; Q134-E138 WeakPolarHBondContact O-CB 3.33Å; Q134-E138 WeakPolarHBondContact O-CG 3.45Å; Q134-E138 PolarHBondContact O-N 3.32Å |
| 135 | R | 95 | Very high | 94 | Very high | 130 Ų | 130 | 54 Ų | 54 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 179.1 | -175.7 | 170.6 | 173.3 | -170.4 | -4.6 | 112.4 | E117 L121 E131 A132 A137 A139 | E117-R135 IonicContact OE1-NH2 3.66Å; L121-R135 HydrophobicContact CD1-CG 4.13Å; L121-R135 HydrophobicContact CD2-CB 4.38Å; L121-R135 HydrophobicContact CD2-CG 4.37Å; E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 PolarHBondContact O-N 2.96Å; A132-R135 PolarHBondContact O-N 3.07Å; R135-A137 VanDerWaalsContact C-N 3.35Å; R135-A139 WeakPolarHBondContact O-CB 3.41Å; R135-A139 PolarHBondContact O-N 3.17Å |
| 136 | L | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 176.4 | -174.4 | 60 | 0 | 0 | 0 | 111.4 | L113 E118 L121 I125 A132 K133 Q134 N140 V173 F184 | L113-L136 HydrophobicContact CD1-CD1 3.79Å; E118-L136 HydrophobicContact CG-CD1 4.39Å; L121-L136 HydrophobicContact CB-CB 4.48Å; L121-L136 HydrophobicContact CD1-CB 4.25Å; L121-L136 HydrophobicContact CD1-CD1 4.35Å; I125-L136 HydrophobicContact CD1-CB 4.08Å; I125-L136 HydrophobicContact CD1-CD2 3.57Å; I125-L136 HydrophobicContact CD1-CG 4.47Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 3.41Å; K133-L136 PolarHBondContact O-N 3.38Å; Q134-L136 PolarHBondContact O-N 2.95Å; L136-N140 PolarHBondContact O-ND2 2.9Å; L136-V173 HydrophobicContact CB-CG1 4.48Å; L136-V173 HydrophobicContact CB-CG2 4.48Å; L136-V173 HydrophobicContact CD2-CG1 4.24Å; L136-V173 HydrophobicContact CD2-CG2 4.31Å; L136-V173 HydrophobicContact CG-CG2 4.19Å; L136-F184 HydrophobicContact CD1-CD1 4.04Å; L136-F184 HydrophobicContact CD1-CE1 4.35Å; L136-F184 HydrophobicContact CD1-CG 4.12Å; L136-F184 HydrophobicContact CD2-CD2 4.04Å; L136-F184 HydrophobicContact CD2-CE2 3.96Å; L136-F184 HydrophobicContact CD2-CG 4.46Å; L136-F184 HydrophobicContact CD2-CZ 4.3Å; L136-F184 HydrophobicContact CG-CD1 4.36Å; L136-F184 HydrophobicContact CG-CD2 4.47Å; L136-F184 HydrophobicContact CG-CE1 4.21Å; L136-F184 HydrophobicContact CG-CE2 4.34Å; L136-F184 HydrophobicContact CG-CG 4.48Å; L136-F184 HydrophobicContact CG-CZ 4.21Å |
| 137 | A | 95.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -52.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K133 Q134 R135 A139 N140 L141 L169 M170 V173 | K133-A137 WeakPolarHBondContact O-CB 3.26Å; K133-A137 PolarHBondContact O-N 2.97Å; Q134-A137 PolarHBondContact O-N 3.32Å; R135-A137 VanDerWaalsContact C-N 3.35Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.48Å; A137-N140 CarbonylContact O-C 3.55Å; A137-N140 PolarHBondContact O-N 3.43Å; A137-L141 PolarHBondContact O-N 3.21Å; A137-L169 WeakPolarHBondContact O-CD2 3.48Å; A137-M170 HydrophobicContact CB-SD 3.63Å; A137-V173 HydrophobicContact CB-CG2 4.13Å |
| 138 | E | 94.5 | Very high | 93.9 | Very high | 75 Ų | 75 | 41.6 Ų | 41.6 | 35% | 0.35 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.1 | -43 | -176.3 | -76.6 | 179.1 | -179.6 | 0 | 0 | 112.8 | V110 Q134 N140 L141 | V110-E138 HydrophobicContact CG1-CB 4.3Å; Q134-E138 HydrophobicContact CG-CG 4.3Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.46Å; Q134-E138 PolarHBondContact NE2-OE1 2.83Å; Q134-E138 WeakPolarHBondContact O-CB 3.33Å; Q134-E138 WeakPolarHBondContact O-CG 3.45Å; Q134-E138 PolarHBondContact O-N 3.32Å; E138-N140 PolarHBondContact O-N 2.93Å; E138-N140 VanDerWaalsContact O-N 3.17Å; E138-L141 PolarHBondContact O-N 2.88Å |
| 139 | A | 93.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -20.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V110 L113 R135 A137 | V110-A139 HydrophobicContact CG1-CB 4.37Å; L113-A139 HydrophobicContact CD1-CB 3.44Å; L113-A139 VanDerWaalsContact CD1-CB 3.44Å; L113-A139 HydrophobicContact CD2-CB 4.45Å; L113-A139 HydrophobicContact CG-CB 3.51Å; R135-A139 WeakPolarHBondContact O-CB 3.41Å; R135-A139 PolarHBondContact O-N 3.17Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-A139 PolarHBondContact O-N 3.48Å |
| 140 | N | 93.8 | Very high | 93.6 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -108.6 | 4.6 | -176.5 | -73.4 | -80.7 | 0 | 0 | 0 | 113.8 | L136 A137 E138 R142 L143 L169 F184 | L136-N140 PolarHBondContact O-ND2 2.9Å; A137-N140 CarbonylContact O-C 3.55Å; A137-N140 PolarHBondContact O-N 3.43Å; E138-N140 PolarHBondContact O-N 2.93Å; E138-N140 VanDerWaalsContact O-N 3.17Å; N140-R142 PolarHBondContact O-N 3.42Å; N140-L143 VanDerWaalsContact O-CB 3.26Å; N140-L143 WeakPolarHBondContact O-CB 3.49Å; N140-L143 PolarHBondContact O-N 2.93Å; N140-L169 HydrophobicContact CB-CD1 3.9Å; N140-L169 HydrophobicContact CB-CD2 4.23Å; N140-F184 HydrophobicContact CB-CD1 4.32Å; N140-F184 HydrophobicContact CB-CE1 3.88Å; N140-F184 VanDerWaalsContact ND2-CD1 3.33Å; N140-F184 WeakPolarHBondContact ND2-CD1 3.4Å; N140-F184 WeakPolarHBondContact ND2-CE1 3.45Å |
| 141 | L | 94.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -31.3 | 177 | -67 | 173.7 | 0 | 0 | 0 | 112.9 | I107 A137 E138 L143 V144 V145 N166 L169 | I107-L141 HydrophobicContact CB-CB 4.05Å; I107-L141 HydrophobicContact CB-CD1 4.31Å; I107-L141 HydrophobicContact CD1-CB 4.4Å; I107-L141 HydrophobicContact CG2-CB 3.87Å; I107-L141 HydrophobicContact CG2-CD1 3.55Å; I107-L141 HydrophobicContact CG2-CG 4.35Å; A137-L141 PolarHBondContact O-N 3.21Å; E138-L141 PolarHBondContact O-N 2.88Å; L141-L143 VanDerWaalsContact C-N 3.29Å; L141-L143 PolarHBondContact O-N 3.11Å; L141-V144 WeakPolarHBondContact O-CB 3.48Å; L141-V144 PolarHBondContact O-N 3.45Å; L141-V145 PolarHBondContact O-N 3.15Å; L141-N166 WeakPolarHBondContact CD2-OD1 3.43Å; L141-L169 HydrophobicContact CD2-CD2 4.03Å |
| 142 | R | 92.6 | Very high | 93.2 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 27% | 0.268 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 176.5 | -60.4 | 177.3 | 54.4 | 173 | 0.1 | 112.4 | L88 I107 N140 V144 V145 S146 | L88-R142 HydrophobicContact CD1-CG 4.08Å; L88-R142 HydrophobicContact CD2-CB 4.03Å; L88-R142 HydrophobicContact CD2-CG 3.86Å; L88-R142 HydrophobicContact CG-CG 4.44Å; I107-R142 HydrophobicContact CD1-CG 4.46Å; I107-R142 HydrophobicContact CG1-CG 4.46Å; N140-R142 PolarHBondContact O-N 3.42Å; R142-V144 VanDerWaalsContact C-N 3.34Å; R142-V145 PolarHBondContact O-N 3.36Å; R142-S146 PolarHBondContact O-N 3.43Å; R142-S146 VanDerWaalsContact O-N 3.12Å |
| 143 | L | 93.5 | Very high | 92.8 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.6 | 176 | 63.7 | 0 | 0 | 0 | 110.3 | A83 N140 L141 V145 S146 I147 A188 I192 | A83-L143 HydrophobicContact CB-CD1 3.48Å; A83-L143 VanDerWaalsContact CB-CD1 3.48Å; N140-L143 VanDerWaalsContact O-CB 3.26Å; N140-L143 WeakPolarHBondContact O-CB 3.49Å; N140-L143 PolarHBondContact O-N 2.93Å; L141-L143 VanDerWaalsContact C-N 3.29Å; L141-L143 PolarHBondContact O-N 3.11Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.92Å; L143-S146 PolarHBondContact O-N 2.91Å; L143-S146 PolarHBondContact O-OG 2.85Å; L143-I147 HydrophobicContact CD1-CD1 3.89Å; L143-I147 HydrophobicContact CD1-CG1 4.3Å; L143-I147 HydrophobicContact CG-CD1 3.9Å; L143-I147 WeakPolarHBondContact O-CG1 3.45Å; L143-I147 PolarHBondContact O-N 2.93Å; L143-A188 HydrophobicContact CD2-CB 4.1Å; L143-I192 HydrophobicContact CD2-CD1 3.99Å; L143-I192 HydrophobicContact CG-CD1 4.05Å |
| 144 | V | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.2 | -48.5 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | L141 R142 S146 I147 A148 I162 G165 N166 L169 I192 | L141-V144 WeakPolarHBondContact O-CB 3.48Å; L141-V144 PolarHBondContact O-N 3.45Å; R142-V144 VanDerWaalsContact C-N 3.34Å; V144-S146 PolarHBondContact O-N 3.02Å; V144-I147 PolarHBondContact O-N 3.45Å; V144-A148 VanDerWaalsContact O-CB 3.3Å; V144-A148 WeakPolarHBondContact O-CB 3.21Å; V144-A148 PolarHBondContact O-N 3.01Å; V144-I162 HydrophobicContact CG1-CG2 4.43Å; V144-I162 WeakPolarHBondContact CG1-O 3.27Å; V144-G165 VanDerWaalsContact CG1-C 3.48Å; V144-N166 WeakPolarHBondContact CG1-OD1 3.19Å; V144-L169 HydrophobicContact CG2-CB 3.75Å; V144-L169 HydrophobicContact CG2-CD2 3.72Å; V144-L169 HydrophobicContact CG2-CG 4.24Å; V144-I192 HydrophobicContact CG1-CG2 4.26Å; V144-I192 HydrophobicContact CG2-CD1 3.69Å; V144-I192 HydrophobicContact CG2-CG1 4.04Å; V144-I192 HydrophobicContact CG2-CG2 4.4Å |
| 145 | V | 93.4 | Very high | 92 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | Y103 L104 I107 L141 R142 L143 I147 A148 K149 F158 I162 | Y103-V145 HydrophobicContact CE1-CG2 4.17Å; L104-V145 HydrophobicContact CD2-CB 4.36Å; L104-V145 HydrophobicContact CD2-CG1 3.57Å; L104-V145 HydrophobicContact CD2-CG2 3.9Å; I107-V145 HydrophobicContact CD1-CG2 3.57Å; L141-V145 PolarHBondContact O-N 3.15Å; R142-V145 PolarHBondContact O-N 3.36Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.92Å; V145-I147 VanDerWaalsContact C-N 3.33Å; V145-I147 PolarHBondContact O-N 3.02Å; V145-A148 PolarHBondContact O-N 2.95Å; V145-K149 WeakPolarHBondContact O-CG 3.43Å; V145-K149 PolarHBondContact O-N 3.42Å; V145-F158 HydrophobicContact CG1-CZ 3.92Å; V145-I162 HydrophobicContact CG2-CD1 4.01Å; V145-I162 HydrophobicContact CG2-CG1 4.2Å; V145-I162 HydrophobicContact CG2-CG2 4.42Å |
| 146 | S | 91.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -38.8 | -179.6 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | A83 E86 R142 L143 V144 | A83-S146 WeakPolarHBondContact CB-OG 3.41Å; E86-S146 WeakPolarHBondContact OE2-CB 3.5Å; R142-S146 PolarHBondContact O-N 3.43Å; R142-S146 VanDerWaalsContact O-N 3.12Å; L143-S146 PolarHBondContact O-N 2.91Å; L143-S146 PolarHBondContact O-OG 2.85Å; V144-S146 PolarHBondContact O-N 3.02Å |
| 147 | I | 91.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.4 | -46.7 | 176.3 | -64.7 | 167.7 | 0 | 0 | 0 | 109.7 | L143 V144 V145 K149 R150 Y151 T189 I192 I196 | L143-I147 HydrophobicContact CD1-CD1 3.89Å; L143-I147 HydrophobicContact CD1-CG1 4.3Å; L143-I147 HydrophobicContact CG-CD1 3.9Å; L143-I147 WeakPolarHBondContact O-CG1 3.45Å; L143-I147 PolarHBondContact O-N 2.93Å; V144-I147 PolarHBondContact O-N 3.45Å; V145-I147 VanDerWaalsContact C-N 3.33Å; V145-I147 PolarHBondContact O-N 3.02Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.4Å; I147-R150 WeakPolarHBondContact O-CB 3.42Å; I147-R150 PolarHBondContact O-N 3.08Å; I147-R150 VanDerWaalsContact O-N 3.15Å; I147-Y151 HydrophobicContact CG2-CE2 4.11Å; I147-Y151 VanDerWaalsContact O-CD2 3.29Å; I147-Y151 WeakPolarHBondContact O-CD2 3.5Å; I147-T189 HydrophobicContact CD1-CG2 3.84Å; I147-I192 HydrophobicContact CB-CG2 4.02Å; I147-I192 HydrophobicContact CD1-CB 3.98Å; I147-I192 HydrophobicContact CD1-CD1 3.87Å; I147-I192 HydrophobicContact CD1-CG2 3.83Å; I147-I192 HydrophobicContact CG2-CG2 3.91Å; I147-I196 HydrophobicContact CG2-CD1 4.19Å |
| 148 | A | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -33 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V144 V145 R150 Y151 V152 F158 L161 I162 I196 | V144-A148 VanDerWaalsContact O-CB 3.3Å; V144-A148 WeakPolarHBondContact O-CB 3.21Å; V144-A148 PolarHBondContact O-N 3.01Å; V145-A148 PolarHBondContact O-N 2.95Å; A148-R150 PolarHBondContact O-N 3.23Å; A148-R150 VanDerWaalsContact O-N 3.14Å; A148-Y151 PolarHBondContact O-N 2.9Å; A148-V152 PolarHBondContact O-N 3.16Å; A148-F158 HydrophobicContact CB-CE2 3.98Å; A148-L161 HydrophobicContact CB-CB 4.13Å; A148-I162 HydrophobicContact CB-CG1 4.05Å; A148-I196 HydrophobicContact CB-CD1 3.96Å |
| 149 | K | 91.4 | Very high | 91.4 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 18% | 0.183 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54 | -34.7 | 176.7 | -73.6 | -176.2 | -167 | -173.6 | 0 | 113.2 | D87 S89 P91 V145 I147 Y151 V152 F158 | D87-K149 PolarHBondContact O-NZ 2.61Å; S89-K149 WeakPolarHBondContact O-CE 3.24Å; S89-K149 PolarHBondContact O-NZ 3.45Å; P91-K149 HydrophobicContact CG-CG 4.14Å; V145-K149 WeakPolarHBondContact O-CG 3.43Å; V145-K149 PolarHBondContact O-N 3.42Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.4Å; K149-Y151 PolarHBondContact O-N 3.29Å; K149-V152 PolarHBondContact O-N 2.88Å; K149-F158 HydrophobicContact CG-CE2 3.96Å; K149-F158 HydrophobicContact CG-CZ 3.75Å |
| 150 | R | 89.6 | Confident | 91.4 | Very high | 122 Ų | 122 | 44.3 Ų | 44.3 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.1 | -179.4 | -56.8 | -179.2 | 179.9 | -145.6 | -2.4 | 113.6 | I147 A148 R154 | I147-R150 WeakPolarHBondContact O-CB 3.42Å; I147-R150 PolarHBondContact O-N 3.08Å; I147-R150 VanDerWaalsContact O-N 3.15Å; A148-R150 PolarHBondContact O-N 3.23Å; A148-R150 VanDerWaalsContact O-N 3.14Å; R150-R154 PolarHBondContact O-NH2 3.03Å; R150-R154 VanDerWaalsContact O-NH2 3.1Å |
| 151 | Y | 90.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 0.9 | -177.6 | -62.2 | -86.7 | 0 | 0 | 0 | 113.3 | I147 A148 K149 R154 L161 R193 I196 I200 | I147-Y151 HydrophobicContact CG2-CE2 4.11Å; I147-Y151 VanDerWaalsContact O-CD2 3.29Å; I147-Y151 WeakPolarHBondContact O-CD2 3.5Å; A148-Y151 PolarHBondContact O-N 2.9Å; K149-Y151 PolarHBondContact O-N 3.29Å; Y151-R154 WeakPolarHBondContact O-CG 3.26Å; Y151-R154 PolarHBondContact O-N 3.2Å; Y151-L161 WeakPolarHBondContact O-CD1 3.44Å; Y151-R193 WeakPolarHBondContact OH-CG 3.26Å; Y151-I196 HydrophobicContact CD1-CG2 4.14Å; Y151-I196 HydrophobicContact CD2-CG2 3.81Å; Y151-I196 HydrophobicContact CE2-CG2 4.41Å; Y151-I196 HydrophobicContact CG-CG2 3.68Å; Y151-I200 HydrophobicContact CD1-CD1 3.67Å; Y151-I200 HydrophobicContact CG-CD1 4.02Å |
| 152 | V | 90.7 | Very high | 91.5 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 142.6 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | P91 V94 A148 K149 F158 L161 | P91-V152 HydrophobicContact CG-CG2 4.09Å; V94-V152 HydrophobicContact CG2-CG1 3.99Å; A148-V152 PolarHBondContact O-N 3.16Å; K149-V152 PolarHBondContact O-N 2.88Å; V152-F158 HydrophobicContact CG2-CB 4.24Å; V152-F158 HydrophobicContact CG2-CD2 3.34Å; V152-F158 HydrophobicContact CG2-CE2 3.87Å; V152-F158 HydrophobicContact CG2-CG 3.96Å; V152-L161 HydrophobicContact CG2-CD1 4.18Å |
| 153 | G | 86.3 | Confident | 91.7 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 75% | 0.753 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 9.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 154 | R | 86.9 | Confident | 91.9 | Very high | 137 Ų | 137 | 44.6 Ų | 44.6 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -98.2 | 29.6 | 176 | -57.4 | -171.6 | -165.3 | -167 | 9.7 | 113.7 | R150 Y151 I200 A204 | R150-R154 PolarHBondContact O-NH2 3.03Å; R150-R154 VanDerWaalsContact O-NH2 3.1Å; Y151-R154 WeakPolarHBondContact O-CG 3.26Å; Y151-R154 PolarHBondContact O-N 3.2Å; R154-I200 HydrophobicContact CB-CG2 4.31Å; R154-A204 VanDerWaalsContact O-CB 3.29Å; R154-A204 WeakPolarHBondContact O-CB 3.48Å |
| 155 | G | 86.2 | Confident | 91.9 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 63% | 0.629 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 91.1 | -4.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | A204 | G155-A204 CarbonylContact C-O 3.59Å; G155-A204 WeakPolarHBondContact CA-O 3.42Å |
| 156 | M | 90.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -115.4 | 145.1 | 177.4 | -174.8 | 176.3 | -79.3 | 0 | 0 | 111 | D160 L161 E164 A199 Q203 A204 | M156-D160 HydrophobicContact CG-CB 3.68Å; M156-D160 HydrophobicContact SD-CB 4.02Å; M156-L161 HydrophobicContact CB-CD2 4.08Å; M156-L161 HydrophobicContact CB-CG 4.17Å; M156-L161 HydrophobicContact CG-CD2 4.11Å; M156-L161 HydrophobicContact CG-CG 4.02Å; M156-L161 HydrophobicContact SD-CD2 3.65Å; M156-L161 HydrophobicContact SD-CG 4.03Å; M156-E164 HydrophobicContact SD-CG 4.44Å; M156-A199 HydrophobicContact CE-CB 4.11Å; M156-A199 WeakPolarHBondContact CE-O 3.49Å; M156-Q203 HydrophobicContact CE-CB 3.62Å; M156-A204 HydrophobicContact CB-CB 4.36Å |
| 157 | Q | 91 | Very high | 92.4 | Very high | 137 Ų | 137 | 49.7 Ų | 49.7 | 64% | 0.64 | 27% | 0.265 | S | S | * | . | trans | -67.4 | 151.6 | 177 | -64.8 | -66.6 | -28.7 | 0 | 0 | 111 | L159 D160 L161 | Q157-L159 VanDerWaalsContact C-N 3.32Å; Q157-L159 PolarHBondContact O-N 3.14Å; Q157-D160 WeakPolarHBondContact CB-OD2 3.45Å; Q157-D160 PolarHBondContact O-N 3.34Å; Q157-D160 VanDerWaalsContact O-N 3.17Å; Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.13Å | ||
| 158 | F | 92.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -36.3 | -176.1 | -177.1 | -137.4 | 0 | 0 | 0 | 113.3 | P91 V100 V145 A148 K149 V152 D160 L161 I162 | P91-F158 HydrophobicContact CG-CE1 4.45Å; P91-F158 HydrophobicContact CG-CZ 4.45Å; V100-F158 HydrophobicContact CG1-CD1 4Å; V100-F158 HydrophobicContact CG1-CE1 4.24Å; V145-F158 HydrophobicContact CG1-CZ 3.92Å; A148-F158 HydrophobicContact CB-CE2 3.98Å; K149-F158 HydrophobicContact CG-CE2 3.96Å; K149-F158 HydrophobicContact CG-CZ 3.75Å; V152-F158 HydrophobicContact CG2-CB 4.24Å; V152-F158 HydrophobicContact CG2-CD2 3.34Å; V152-F158 HydrophobicContact CG2-CE2 3.87Å; V152-F158 HydrophobicContact CG2-CG 3.96Å; F158-D160 VanDerWaalsContact C-N 3.35Å; F158-L161 PolarHBondContact O-N 3.02Å; F158-I162 HydrophobicContact CD1-CD1 4.11Å; F158-I162 HydrophobicContact CD2-CD1 4.21Å; F158-I162 HydrophobicContact CD2-CG1 4.33Å; F158-I162 HydrophobicContact CE1-CD1 3.83Å; F158-I162 HydrophobicContact CE2-CD1 3.94Å; F158-I162 HydrophobicContact CE2-CG1 4.07Å; F158-I162 HydrophobicContact CG-CD1 4.31Å; F158-I162 HydrophobicContact CZ-CD1 3.76Å; F158-I162 HydrophobicContact CZ-CG1 4.32Å; F158-I162 WeakPolarHBondContact O-CG1 3.33Å; F158-I162 PolarHBondContact O-N 3.22Å |
| 159 | L | 92.6 | Very high | 92.9 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.6 | -74.2 | 176.6 | 0 | 0 | 0 | 112 | P99 V100 Q157 L161 I162 Q163 | P99-L159 HydrophobicContact CB-CD1 4.25Å; V100-L159 HydrophobicContact CB-CD2 4.22Å; V100-L159 HydrophobicContact CG1-CD2 4.2Å; V100-L159 HydrophobicContact CG2-CD1 3.83Å; V100-L159 HydrophobicContact CG2-CD2 3.87Å; V100-L159 HydrophobicContact CG2-CG 3.7Å; Q157-L159 VanDerWaalsContact C-N 3.32Å; Q157-L159 PolarHBondContact O-N 3.14Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L159-I162 CarbonylContact O-C 3.53Å; L159-I162 WeakPolarHBondContact O-CA 3.27Å; L159-I162 WeakPolarHBondContact O-CB 3.48Å; L159-I162 PolarHBondContact O-N 2.97Å; L159-I162 VanDerWaalsContact O-N 3.11Å; L159-Q163 WeakPolarHBondContact O-CG 3.15Å; L159-Q163 PolarHBondContact O-N 2.93Å |
| 160 | D | 94.6 | Very high | 93.1 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | -179.5 | -56.9 | -21.6 | 0 | 0 | 0 | 110.2 | M156 Q157 F158 I162 Q163 E164 | M156-D160 HydrophobicContact CG-CB 3.68Å; M156-D160 HydrophobicContact SD-CB 4.02Å; Q157-D160 WeakPolarHBondContact CB-OD2 3.45Å; Q157-D160 PolarHBondContact O-N 3.34Å; Q157-D160 VanDerWaalsContact O-N 3.17Å; F158-D160 VanDerWaalsContact C-N 3.35Å; D160-I162 VanDerWaalsContact C-N 3.26Å; D160-I162 PolarHBondContact O-N 3.14Å; D160-Q163 PolarHBondContact O-N 2.64Å; D160-Q163 VanDerWaalsContact O-N 3.09Å; D160-E164 WeakPolarHBondContact O-CB 3.46Å; D160-E164 VanDerWaalsContact O-CG 3.29Å; D160-E164 WeakPolarHBondContact O-CG 3.41Å; D160-E164 PolarHBondContact O-N 3.25Å |
| 161 | L | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 171.5 | -68 | 170.3 | 0 | 0 | 0 | 112.1 | A148 Y151 V152 M156 Q157 F158 L159 G165 I196 I200 | A148-L161 HydrophobicContact CB-CB 4.13Å; Y151-L161 WeakPolarHBondContact O-CD1 3.44Å; V152-L161 HydrophobicContact CG2-CD1 4.18Å; M156-L161 HydrophobicContact CB-CD2 4.08Å; M156-L161 HydrophobicContact CB-CG 4.17Å; M156-L161 HydrophobicContact CG-CD2 4.11Å; M156-L161 HydrophobicContact CG-CG 4.02Å; M156-L161 HydrophobicContact SD-CD2 3.65Å; M156-L161 HydrophobicContact SD-CG 4.03Å; Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.13Å; F158-L161 PolarHBondContact O-N 3.02Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L161-G165 PolarHBondContact O-N 3.1Å; L161-I196 HydrophobicContact CD2-CG2 3.75Å; L161-I200 HydrophobicContact CD2-CD1 3.72Å; L161-I200 HydrophobicContact CD2-CG1 3.68Å |
| 162 | I | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.8 | -70.1 | 164.8 | 0 | 0 | 0 | 110.6 | Y103 V144 V145 A148 F158 L159 D160 G165 N166 | Y103-I162 HydrophobicContact CD1-CG2 4.47Å; Y103-I162 HydrophobicContact CE1-CD1 4.46Å; Y103-I162 HydrophobicContact CE1-CG2 3.56Å; V144-I162 HydrophobicContact CG1-CG2 4.43Å; V144-I162 WeakPolarHBondContact CG1-O 3.27Å; V145-I162 HydrophobicContact CG2-CD1 4.01Å; V145-I162 HydrophobicContact CG2-CG1 4.2Å; V145-I162 HydrophobicContact CG2-CG2 4.42Å; A148-I162 HydrophobicContact CB-CG1 4.05Å; F158-I162 HydrophobicContact CD1-CD1 4.11Å; F158-I162 HydrophobicContact CD2-CD1 4.21Å; F158-I162 HydrophobicContact CD2-CG1 4.33Å; F158-I162 HydrophobicContact CE1-CD1 3.83Å; F158-I162 HydrophobicContact CE2-CD1 3.94Å; F158-I162 HydrophobicContact CE2-CG1 4.07Å; F158-I162 HydrophobicContact CG-CD1 4.31Å; F158-I162 HydrophobicContact CZ-CD1 3.76Å; F158-I162 HydrophobicContact CZ-CG1 4.32Å; F158-I162 WeakPolarHBondContact O-CG1 3.33Å; F158-I162 PolarHBondContact O-N 3.22Å; L159-I162 CarbonylContact O-C 3.53Å; L159-I162 WeakPolarHBondContact O-CA 3.27Å; L159-I162 WeakPolarHBondContact O-CB 3.48Å; L159-I162 PolarHBondContact O-N 2.97Å; L159-I162 VanDerWaalsContact O-N 3.11Å; D160-I162 VanDerWaalsContact C-N 3.26Å; D160-I162 PolarHBondContact O-N 3.14Å; I162-G165 CarbonylContact O-C 3.55Å; I162-G165 PolarHBondContact O-N 3.07Å; I162-N166 WeakPolarHBondContact O-CB 3.28Å; I162-N166 PolarHBondContact O-N 3.42Å; I162-N166 PolarHBondContact O-ND2 3.15Å; I162-N166 PolarHBondContact O-OD1 3.03Å |
| 163 | Q | 96.2 | Very high | 93.8 | Very high | 95 Ų | 95 | 47 Ų | 47 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 179.9 | -65.6 | -53.4 | -20.7 | 0 | 0 | 112.1 | L159 D160 G165 N166 M167 | L159-Q163 WeakPolarHBondContact O-CG 3.15Å; L159-Q163 PolarHBondContact O-N 2.93Å; D160-Q163 PolarHBondContact O-N 2.64Å; D160-Q163 VanDerWaalsContact O-N 3.09Å; Q163-G165 VanDerWaalsContact C-N 3.3Å; Q163-G165 PolarHBondContact O-N 2.66Å; Q163-N166 WeakPolarHBondContact O-CB 3.35Å; Q163-N166 PolarHBondContact O-N 3.25Å; Q163-N166 VanDerWaalsContact O-N 3.14Å; Q163-M167 PolarHBondContact O-N 3.17Å |
| 164 | E | 96.7 | Very high | 94.1 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 174.3 | -66.5 | -68.6 | 155.8 | 0 | 0 | 111.2 | M156 D160 M167 G168 A195 A199 | M156-E164 HydrophobicContact SD-CG 4.44Å; D160-E164 WeakPolarHBondContact O-CB 3.46Å; D160-E164 VanDerWaalsContact O-CG 3.29Å; D160-E164 WeakPolarHBondContact O-CG 3.41Å; D160-E164 PolarHBondContact O-N 3.25Å; E164-M167 HydrophobicContact CB-CE 4.47Å; E164-M167 HydrophobicContact CG-CE 4.26Å; E164-M167 PolarHBondContact O-N 3.39Å; E164-M167 WeakPolarHBondContact OE1-CE 3.42Å; E164-M167 WeakPolarHBondContact OE2-CE 3.42Å; E164-G168 PolarHBondContact O-N 3.26Å; E164-G168 VanDerWaalsContact O-N 3.1Å; E164-A195 VanDerWaalsContact O-CB 3.28Å; E164-A195 WeakPolarHBondContact O-CB 3.29Å; E164-A199 HydrophobicContact CB-CB 3.73Å; E164-A199 VanDerWaalsContact CD-CB 3.46Å; E164-A199 HydrophobicContact CG-CB 3.4Å; E164-A199 VanDerWaalsContact CG-CB 3.4Å; E164-A199 WeakPolarHBondContact OE2-CB 3.4Å |
| 165 | G | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V144 L161 I162 Q163 M167 G168 L169 | V144-G165 VanDerWaalsContact CG1-C 3.48Å; L161-G165 PolarHBondContact O-N 3.1Å; I162-G165 CarbonylContact O-C 3.55Å; I162-G165 PolarHBondContact O-N 3.07Å; Q163-G165 VanDerWaalsContact C-N 3.3Å; Q163-G165 PolarHBondContact O-N 2.66Å; G165-M167 VanDerWaalsContact C-N 3.33Å; G165-G168 CarbonylContact O-C 3.54Å; G165-G168 WeakPolarHBondContact O-CA 3.48Å; G165-G168 PolarHBondContact O-N 3.12Å; G165-G168 VanDerWaalsContact O-N 3.13Å; G165-L169 PolarHBondContact O-N 3.14Å |
| 166 | N | 97.4 | Very high | 94.5 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 176.4 | -71.5 | -21.9 | 0 | 0 | 0 | 110.8 | Y103 L141 V144 I162 Q163 G168 L169 M170 | Y103-N166 PolarHBondContact OH-ND2 3.12Å; L141-N166 WeakPolarHBondContact CD2-OD1 3.43Å; V144-N166 WeakPolarHBondContact CG1-OD1 3.19Å; I162-N166 WeakPolarHBondContact O-CB 3.28Å; I162-N166 PolarHBondContact O-N 3.42Å; I162-N166 PolarHBondContact O-ND2 3.15Å; I162-N166 PolarHBondContact O-OD1 3.03Å; Q163-N166 WeakPolarHBondContact O-CB 3.35Å; Q163-N166 PolarHBondContact O-N 3.25Å; Q163-N166 VanDerWaalsContact O-N 3.14Å; N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 3.38Å; N166-L169 WeakPolarHBondContact O-CB 3.44Å; N166-L169 PolarHBondContact O-N 3.03Å; N166-M170 WeakPolarHBondContact O-CG 3.33Å; N166-M170 PolarHBondContact O-N 3.39Å |
| 167 | M | 97 | Very high | 94.4 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 47% | 0.473 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63 | -38.7 | 171.4 | -67.5 | -166.1 | -66.9 | 0 | 0 | 111.9 | Q163 E164 G165 M170 K171 | Q163-M167 PolarHBondContact O-N 3.17Å; E164-M167 HydrophobicContact CB-CE 4.47Å; E164-M167 HydrophobicContact CG-CE 4.26Å; E164-M167 PolarHBondContact O-N 3.39Å; E164-M167 WeakPolarHBondContact OE1-CE 3.42Å; E164-M167 WeakPolarHBondContact OE2-CE 3.42Å; G165-M167 VanDerWaalsContact C-N 3.33Å; M167-M170 PolarHBondContact O-N 2.82Å; M167-K171 WeakPolarHBondContact O-CG 3.3Å; M167-K171 PolarHBondContact O-N 2.8Å |
| 168 | G | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E164 G165 N166 M170 K171 A172 W191 | E164-G168 PolarHBondContact O-N 3.26Å; E164-G168 VanDerWaalsContact O-N 3.1Å; G165-G168 CarbonylContact O-C 3.54Å; G165-G168 WeakPolarHBondContact O-CA 3.48Å; G165-G168 PolarHBondContact O-N 3.12Å; G165-G168 VanDerWaalsContact O-N 3.13Å; N166-G168 VanDerWaalsContact C-N 3.31Å; N166-G168 PolarHBondContact O-N 3.38Å; G168-M170 PolarHBondContact O-N 3.39Å; G168-K171 WeakPolarHBondContact O-CB 3.44Å; G168-K171 PolarHBondContact O-N 3.05Å; G168-A172 PolarHBondContact O-N 3.21Å; G168-W191 VanDerWaalsContact O-CB 3.26Å; G168-W191 WeakPolarHBondContact O-CB 3.44Å |
| 169 | L | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.1 | 175.9 | 66.6 | 0 | 0 | 0 | 111.9 | A137 N140 L141 V144 G165 N166 K171 A172 V173 F184 A188 I192 | A137-L169 WeakPolarHBondContact O-CD2 3.48Å; N140-L169 HydrophobicContact CB-CD1 3.9Å; N140-L169 HydrophobicContact CB-CD2 4.23Å; L141-L169 HydrophobicContact CD2-CD2 4.03Å; V144-L169 HydrophobicContact CG2-CB 3.75Å; V144-L169 HydrophobicContact CG2-CD2 3.72Å; V144-L169 HydrophobicContact CG2-CG 4.24Å; G165-L169 PolarHBondContact O-N 3.14Å; N166-L169 WeakPolarHBondContact O-CB 3.44Å; N166-L169 PolarHBondContact O-N 3.03Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.29Å; L169-A172 CarbonylContact O-C 3.55Å; L169-A172 WeakPolarHBondContact O-CA 3.3Å; L169-A172 VanDerWaalsContact O-CB 3.26Å; L169-A172 WeakPolarHBondContact O-CB 3.31Å; L169-A172 PolarHBondContact O-N 2.85Å; L169-V173 WeakPolarHBondContact O-CG2 3.42Å; L169-V173 PolarHBondContact O-N 3.23Å; L169-F184 HydrophobicContact CD1-CE1 3.69Å; L169-F184 HydrophobicContact CD1-CZ 3.8Å; L169-A188 HydrophobicContact CD1-CB 3.97Å; L169-I192 HydrophobicContact CB-CD1 4.31Å; L169-I192 HydrophobicContact CB-CG1 4.07Å; L169-I192 HydrophobicContact CD1-CD1 4.25Å |
| 170 | M | 96.5 | Very high | 93.7 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 177.8 | -70.3 | -58.2 | -67.1 | 0 | 0 | 111.7 | A137 N166 M167 G168 A172 V173 E174 | A137-M170 HydrophobicContact CB-SD 3.63Å; N166-M170 WeakPolarHBondContact O-CG 3.33Å; N166-M170 PolarHBondContact O-N 3.39Å; M167-M170 PolarHBondContact O-N 2.82Å; G168-M170 PolarHBondContact O-N 3.39Å; M170-A172 VanDerWaalsContact C-N 3.28Å; M170-A172 PolarHBondContact O-N 2.87Å; M170-V173 WeakPolarHBondContact O-CB 3.31Å; M170-V173 PolarHBondContact O-N 3.2Å; M170-E174 WeakPolarHBondContact O-CG 3.42Å; M170-E174 PolarHBondContact O-N 3.35Å; M170-E174 VanDerWaalsContact O-N 3.08Å |
| 171 | K | 94.7 | Very high | 93.2 | Very high | 110 Ų | 110 | 49 Ų | 49 | 48% | 0.478 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -37.1 | 172.9 | -69.6 | 175.3 | -176.7 | 174.3 | 0 | 112 | M167 G168 L169 E174 K175 W191 | M167-K171 WeakPolarHBondContact O-CG 3.3Å; M167-K171 PolarHBondContact O-N 2.8Å; G168-K171 WeakPolarHBondContact O-CB 3.44Å; G168-K171 PolarHBondContact O-N 3.05Å; L169-K171 VanDerWaalsContact C-N 3.31Å; L169-K171 PolarHBondContact O-N 3.29Å; K171-E174 PolarHBondContact O-N 3.21Å; K171-K175 WeakPolarHBondContact O-CB 3.5Å; K171-K175 PolarHBondContact O-N 3.05Å; K171-K175 VanDerWaalsContact O-N 3.16Å; K171-W191 HydrophobicContact CB-CD2 4.36Å; K171-W191 HydrophobicContact CB-CE3 4Å; K171-W191 HydrophobicContact CD-CE3 4.39Å |
| 172 | A | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | G168 L169 M170 E174 K175 F176 F184 Y187 A188 W191 | G168-A172 PolarHBondContact O-N 3.21Å; L169-A172 CarbonylContact O-C 3.55Å; L169-A172 WeakPolarHBondContact O-CA 3.3Å; L169-A172 VanDerWaalsContact O-CB 3.26Å; L169-A172 WeakPolarHBondContact O-CB 3.31Å; L169-A172 PolarHBondContact O-N 2.85Å; M170-A172 VanDerWaalsContact C-N 3.28Å; M170-A172 PolarHBondContact O-N 2.87Å; A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 3.17Å; A172-K175 PolarHBondContact O-N 3.4Å; A172-F176 WeakPolarHBondContact O-CB 3.41Å; A172-F176 PolarHBondContact O-N 2.98Å; A172-F184 HydrophobicContact CB-CE2 4.23Å; A172-F184 HydrophobicContact CB-CZ 4.17Å; A172-Y187 HydrophobicContact CB-CD1 4.15Å; A172-Y187 HydrophobicContact CB-CE1 4.19Å; A172-Y187 WeakPolarHBondContact O-CE1 3.46Å; A172-A188 HydrophobicContact CB-CB 3.79Å; A172-W191 HydrophobicContact CB-CB 3.91Å; A172-W191 HydrophobicContact CB-CG 3.9Å |
| 173 | V | 95.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -42.8 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | I125 K133 L136 A137 L169 M170 F184 | I125-V173 HydrophobicContact CD1-CG1 3.95Å; K133-V173 HydrophobicContact CB-CG1 4.01Å; K133-V173 HydrophobicContact CG-CG1 4.04Å; L136-V173 HydrophobicContact CB-CG1 4.48Å; L136-V173 HydrophobicContact CB-CG2 4.48Å; L136-V173 HydrophobicContact CD2-CG1 4.24Å; L136-V173 HydrophobicContact CD2-CG2 4.31Å; L136-V173 HydrophobicContact CG-CG2 4.19Å; A137-V173 HydrophobicContact CB-CG2 4.13Å; L169-V173 WeakPolarHBondContact O-CG2 3.42Å; L169-V173 PolarHBondContact O-N 3.23Å; M170-V173 WeakPolarHBondContact O-CB 3.31Å; M170-V173 PolarHBondContact O-N 3.2Å; V173-F184 HydrophobicContact CB-CZ 4.43Å; V173-F184 HydrophobicContact CG2-CE1 4.38Å; V173-F184 HydrophobicContact CG2-CE2 4.11Å; V173-F184 HydrophobicContact CG2-CZ 3.51Å |
| 174 | E | 92.6 | Very high | 92.5 | Very high | 116 Ų | 116 | 51.2 Ų | 51.2 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.9 | -29.5 | -179.2 | -69.1 | -175.5 | 155.1 | 0 | 0 | 114.1 | K133 M170 K171 A172 | K133-E174 IonicContact NZ-OE1 2.8Å; M170-E174 WeakPolarHBondContact O-CG 3.42Å; M170-E174 PolarHBondContact O-N 3.35Å; M170-E174 VanDerWaalsContact O-N 3.08Å; K171-E174 PolarHBondContact O-N 3.21Å; A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 3.17Å |
| 175 | K | 90.6 | Very high | 92.3 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 41% | 0.409 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 11.1 | -174.7 | -65 | -172.3 | 167.7 | -161.5 | 0 | 113.6 | K171 A172 D177 Y187 W191 | K171-K175 WeakPolarHBondContact O-CB 3.5Å; K171-K175 PolarHBondContact O-N 3.05Å; K171-K175 VanDerWaalsContact O-N 3.16Å; A172-K175 PolarHBondContact O-N 3.4Å; K175-D177 PolarHBondContact O-N 3.33Å; K175-Y187 HydrophobicContact CB-CE1 4.46Å; K175-Y187 VanDerWaalsContact CB-OH 3.27Å; K175-Y187 WeakPolarHBondContact CB-OH 3.21Å; K175-Y187 PolarHBondContact O-OH 2.84Å; K175-W191 HydrophobicContact CB-CZ2 4.48Å; K175-W191 HydrophobicContact CD-CH2 3.69Å; K175-W191 HydrophobicContact CD-CZ2 3.49Å; K175-W191 VanDerWaalsContact CD-CZ2 3.49Å |
| 176 | F | 91.5 | Very high | 92 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 9% | 0.088 | 24% | 0.241 | C | C | . | . | trans | -71.6 | 120.5 | -175.4 | 177 | -127.7 | 0 | 0 | 0 | 111.3 | A122 A172 F184 Y187 | A122-F176 HydrophobicContact CB-CD1 3.67Å; A122-F176 HydrophobicContact CB-CE1 3.84Å; A172-F176 WeakPolarHBondContact O-CB 3.41Å; A172-F176 PolarHBondContact O-N 2.98Å; F176-F184 HydrophobicContact CB-CD2 3.92Å; F176-F184 HydrophobicContact CB-CE2 3.98Å; F176-F184 AromaticContact CD1-CD2 3.8Å; F176-F184 HydrophobicContact CD1-CD2 3.8Å; F176-F184 AromaticContact CD2-CD2 3.73Å; F176-F184 HydrophobicContact CD2-CD2 3.73Å; F176-F184 HydrophobicContact CE1-CB 4.2Å; F176-F184 HydrophobicContact CE1-CD2 4.21Å; F176-F184 HydrophobicContact CE2-CB 4.17Å; F176-F184 HydrophobicContact CE2-CD2 4.16Å; F176-F184 AromaticContact CG-CD2 3.54Å; F176-F184 HydrophobicContact CG-CD2 3.54Å; F176-F184 HydrophobicContact CG-CE2 4.14Å; F176-F184 HydrophobicContact CZ-CB 3.96Å; F176-F184 HydrophobicContact CZ-CD2 4.38Å; F176-Y187 HydrophobicContact CB-CD1 4.3Å; F176-Y187 HydrophobicContact CB-CE1 4.31Å; F176-Y187 AromaticContact CD2-CD1 3.86Å; F176-Y187 HydrophobicContact CD2-CD1 3.86Å; F176-Y187 AromaticContact CD2-CG 3.93Å; F176-Y187 HydrophobicContact CD2-CG 3.93Å | ||
| 177 | D | 88.3 | Confident | 91.7 | Very high | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | trans | -104.8 | 101.2 | 173.7 | -177.6 | 1.8 | 0 | 0 | 0 | 110.6 | K175 R179 K180 | K175-D177 PolarHBondContact O-N 3.33Å; D177-R179 PolarHBondContact O-N 3.17Å; D177-R179 WeakPolarHBondContact OD1-CA 3.38Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 WeakPolarHBondContact OD1-CG 3.41Å; D177-R179 PolarHBondContact OD1-N 3.13Å; D177-K180 HydrophobicContact CB-CD 4.18Å; D177-K180 HydrophobicContact CB-CG 4.18Å; D177-K180 PolarHBondContact O-N 3.36Å | ||
| 178 | Y | 87.3 | Confident | 91.5 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -64.9 | -21.8 | 177.3 | 60.1 | -89.4 | 0 | 0 | 0 | 113 | V119 A122 L123 E126 K180 G181 | V119-Y178 HydrophobicContact CG1-CD2 4.1Å; V119-Y178 HydrophobicContact CG1-CG 4.3Å; A122-Y178 HydrophobicContact CB-CD1 3.69Å; A122-Y178 HydrophobicContact CB-CE1 4.49Å; A122-Y178 HydrophobicContact CB-CG 4.35Å; L123-Y178 HydrophobicContact CD2-CE1 4.01Å; L123-Y178 HydrophobicContact CD2-CE2 4.1Å; L123-Y178 VanDerWaalsContact CD2-OH 3.27Å; L123-Y178 WeakPolarHBondContact CD2-OH 3.41Å; L123-Y178 HydrophobicContact CG-CE1 4.35Å; E126-Y178 HydrophobicContact CG-CE1 4.4Å; E126-Y178 WeakPolarHBondContact OE1-CE1 3.45Å; E126-Y178 WeakPolarHBondContact OE2-CE1 3.35Å; E126-Y178 PolarHBondContact OE2-OH 2.87Å; Y178-K180 PolarHBondContact O-N 3.28Å; Y178-G181 PolarHBondContact O-N 3.41Å; Y178-G181 VanDerWaalsContact O-N 3.1Å |
| 179 | R | 89.3 | Confident | 91.3 | Very high | 172 Ų | 172 | 44.5 Ų | 44.5 | 65% | 0.649 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -71.5 | -19.3 | -178.6 | -53.8 | 174.3 | -175.1 | 155.2 | 8.7 | 112 | E126 D177 G181 | E126-R179 IonicContact OE1-NH2 2.78Å; E126-R179 IonicContact OE2-NH2 2.75Å; D177-R179 PolarHBondContact O-N 3.17Å; D177-R179 WeakPolarHBondContact OD1-CA 3.38Å; D177-R179 WeakPolarHBondContact OD1-CB 3.49Å; D177-R179 WeakPolarHBondContact OD1-CG 3.41Å; D177-R179 PolarHBondContact OD1-N 3.13Å; R179-G181 PolarHBondContact O-N 3.34Å |
| 180 | K | 84.1 | Confident | 91 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 17% | 0.17 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -66.4 | -17.7 | 171.9 | -68.2 | -179 | 175.3 | 179.4 | 0 | 112.4 | D63 E67 D177 Y178 F182 | D63-K180 IonicContact OD2-NZ 2.86Å; D63-K180 PolarHBondContact OD2-NZ 3.47Å; E67-K180 IonicContact OE2-NZ 3.28Å; E67-K180 PolarHBondContact OE2-NZ 2.9Å; D177-K180 HydrophobicContact CB-CD 4.18Å; D177-K180 HydrophobicContact CB-CG 4.18Å; D177-K180 PolarHBondContact O-N 3.36Å; Y178-K180 PolarHBondContact O-N 3.28Å; K180-F182 VanDerWaalsContact C-N 3.33Å; K180-F182 HydrophobicContact CB-CD2 4.05Å; K180-F182 WeakPolarHBondContact O-CD2 3.38Å; K180-F182 PolarHBondContact O-N 2.96Å |
| 181 | G | 84.2 | Confident | 90.8 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 71% | 0.711 | 21% | 0.206 | S | C | * | . | trans | 77.2 | 13.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y178 R179 | Y178-G181 PolarHBondContact O-N 3.41Å; Y178-G181 VanDerWaalsContact O-N 3.1Å; R179-G181 PolarHBondContact O-N 3.34Å | ||
| 182 | F | 87.8 | Confident | 90.7 | Very high | 32 Ų | 32 | 38 Ų | 38 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | trans | -97.2 | 150.1 | 174 | -66.1 | -86.1 | 0 | 0 | 0 | 110.5 | K70 L73 K74 K180 T186 | K70-F182 HydrophobicContact CB-CE2 4.29Å; K70-F182 HydrophobicContact CB-CZ 4.29Å; K70-F182 HydrophobicContact CG-CE2 4.11Å; L73-F182 HydrophobicContact CB-CD1 3.91Å; L73-F182 HydrophobicContact CB-CD2 4.2Å; L73-F182 HydrophobicContact CB-CE1 3.92Å; L73-F182 HydrophobicContact CB-CE2 4.22Å; L73-F182 HydrophobicContact CB-CG 4.05Å; L73-F182 HydrophobicContact CB-CZ 4.07Å; L73-F182 HydrophobicContact CD1-CB 4.41Å; L73-F182 HydrophobicContact CD1-CD2 3.5Å; L73-F182 HydrophobicContact CD1-CE2 3.83Å; L73-F182 HydrophobicContact CD1-CG 3.94Å; L73-F182 HydrophobicContact CG-CD2 4.48Å; K74-F182 HydrophobicContact CG-CE1 3.9Å; K74-F182 HydrophobicContact CG-CZ 4.22Å; K180-F182 VanDerWaalsContact C-N 3.33Å; K180-F182 HydrophobicContact CB-CD2 4.05Å; K180-F182 WeakPolarHBondContact O-CD2 3.38Å; K180-F182 PolarHBondContact O-N 2.96Å; F182-T186 HydrophobicContact CD1-CG2 4.37Å | ||
| 183 | K | 90.8 | Very high | 90.6 | Very high | 108 Ų | 108 | 39 Ų | 39 | 47% | 0.47 | 19% | 0.187 | S | C | . | . | trans | -61 | 148.8 | 172 | -63.4 | -172.1 | 178.6 | -171.2 | 0 | 110.8 | S185 T186 Y187 | K183-S185 VanDerWaalsContact C-N 3.29Å; K183-S185 PolarHBondContact O-N 2.78Å; K183-T186 WeakPolarHBondContact O-CB 3.44Å; K183-T186 PolarHBondContact O-N 2.99Å; K183-T186 VanDerWaalsContact O-N 3.15Å; K183-Y187 PolarHBondContact O-N 2.96Å | ||
| 184 | F | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 178.5 | 176.2 | -102.5 | 0 | 0 | 0 | 111.8 | E118 L136 N140 L169 A172 V173 F176 T186 Y187 A188 | E118-F184 HydrophobicContact CB-CB 4.4Å; E118-F184 HydrophobicContact CG-CB 4.06Å; E118-F184 WeakPolarHBondContact OE2-CB 3.4Å; E118-F184 PolarHBondContact OE2-N 3.47Å; L136-F184 HydrophobicContact CD1-CD1 4.04Å; L136-F184 HydrophobicContact CD1-CE1 4.35Å; L136-F184 HydrophobicContact CD1-CG 4.12Å; L136-F184 HydrophobicContact CD2-CD2 4.04Å; L136-F184 HydrophobicContact CD2-CE2 3.96Å; L136-F184 HydrophobicContact CD2-CG 4.46Å; L136-F184 HydrophobicContact CD2-CZ 4.3Å; L136-F184 HydrophobicContact CG-CD1 4.36Å; L136-F184 HydrophobicContact CG-CD2 4.47Å; L136-F184 HydrophobicContact CG-CE1 4.21Å; L136-F184 HydrophobicContact CG-CE2 4.34Å; L136-F184 HydrophobicContact CG-CG 4.48Å; L136-F184 HydrophobicContact CG-CZ 4.21Å; N140-F184 HydrophobicContact CB-CD1 4.32Å; N140-F184 HydrophobicContact CB-CE1 3.88Å; N140-F184 VanDerWaalsContact ND2-CD1 3.33Å; N140-F184 WeakPolarHBondContact ND2-CD1 3.4Å; N140-F184 WeakPolarHBondContact ND2-CE1 3.45Å; L169-F184 HydrophobicContact CD1-CE1 3.69Å; L169-F184 HydrophobicContact CD1-CZ 3.8Å; A172-F184 HydrophobicContact CB-CE2 4.23Å; A172-F184 HydrophobicContact CB-CZ 4.17Å; V173-F184 HydrophobicContact CB-CZ 4.43Å; V173-F184 HydrophobicContact CG2-CE1 4.38Å; V173-F184 HydrophobicContact CG2-CE2 4.11Å; V173-F184 HydrophobicContact CG2-CZ 3.51Å; F176-F184 HydrophobicContact CB-CD2 3.92Å; F176-F184 HydrophobicContact CB-CE2 3.98Å; F176-F184 AromaticContact CD1-CD2 3.8Å; F176-F184 HydrophobicContact CD1-CD2 3.8Å; F176-F184 AromaticContact CD2-CD2 3.73Å; F176-F184 HydrophobicContact CD2-CD2 3.73Å; F176-F184 HydrophobicContact CE1-CB 4.2Å; F176-F184 HydrophobicContact CE1-CD2 4.21Å; F176-F184 HydrophobicContact CE2-CB 4.17Å; F176-F184 HydrophobicContact CE2-CD2 4.16Å; F176-F184 AromaticContact CG-CD2 3.54Å; F176-F184 HydrophobicContact CG-CD2 3.54Å; F176-F184 HydrophobicContact CG-CE2 4.14Å; F176-F184 HydrophobicContact CZ-CB 3.96Å; F176-F184 HydrophobicContact CZ-CD2 4.38Å; F184-T186 VanDerWaalsContact C-N 3.28Å; F184-T186 PolarHBondContact O-N 3.33Å; F184-Y187 WeakPolarHBondContact O-CB 3.46Å; F184-Y187 PolarHBondContact O-N 2.83Å; F184-A188 HydrophobicContact CD1-CB 4.33Å; F184-A188 HydrophobicContact CE1-CB 3.86Å; F184-A188 HydrophobicContact CE2-CB 4.41Å; F184-A188 HydrophobicContact CZ-CB 3.9Å; F184-A188 WeakPolarHBondContact O-CB 3.48Å; F184-A188 PolarHBondContact O-N 2.99Å |
| 185 | S | 91.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.6 | -40 | 176.8 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | K183 T189 | K183-S185 VanDerWaalsContact C-N 3.29Å; K183-S185 PolarHBondContact O-N 2.78Å; S185-T189 PolarHBondContact O-N 3.2Å; S185-T189 VanDerWaalsContact O-N 3.1Å; S185-T189 PolarHBondContact O-OG1 2.92Å |
| 186 | T | 90.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 176 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | L73 N76 E77 F182 K183 F184 | L73-T186 HydrophobicContact CB-CG2 4.07Å; L73-T186 HydrophobicContact CD2-CG2 4.31Å; L73-T186 WeakPolarHBondContact O-CG2 3.39Å; N76-T186 HydrophobicContact CB-CG2 4.22Å; E77-T186 HydrophobicContact CB-CG2 4.43Å; E77-T186 HydrophobicContact CG-CG2 3.66Å; F182-T186 HydrophobicContact CD1-CG2 4.37Å; K183-T186 WeakPolarHBondContact O-CB 3.44Å; K183-T186 PolarHBondContact O-N 2.99Å; K183-T186 VanDerWaalsContact O-N 3.15Å; F184-T186 VanDerWaalsContact C-N 3.28Å; F184-T186 PolarHBondContact O-N 3.33Å |
| 187 | Y | 91.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 177.5 | -177.9 | -94.6 | 0 | 0 | 0 | 112.5 | P68 L73 A172 K175 F176 K183 F184 T189 W190 W191 | P68-Y187 HydrophobicContact CG-CD2 3.56Å; P68-Y187 HydrophobicContact CG-CE2 3.32Å; P68-Y187 HydrophobicContact CG-CG 4.47Å; L73-Y187 HydrophobicContact CD1-CD2 4.48Å; L73-Y187 HydrophobicContact CD2-CD2 3.97Å; L73-Y187 HydrophobicContact CD2-CG 4.47Å; A172-Y187 HydrophobicContact CB-CD1 4.15Å; A172-Y187 HydrophobicContact CB-CE1 4.19Å; A172-Y187 WeakPolarHBondContact O-CE1 3.46Å; K175-Y187 HydrophobicContact CB-CE1 4.46Å; K175-Y187 VanDerWaalsContact CB-OH 3.27Å; K175-Y187 WeakPolarHBondContact CB-OH 3.21Å; K175-Y187 PolarHBondContact O-OH 2.84Å; F176-Y187 HydrophobicContact CB-CD1 4.3Å; F176-Y187 HydrophobicContact CB-CE1 4.31Å; F176-Y187 AromaticContact CD2-CD1 3.86Å; F176-Y187 HydrophobicContact CD2-CD1 3.86Å; F176-Y187 AromaticContact CD2-CG 3.93Å; F176-Y187 HydrophobicContact CD2-CG 3.93Å; K183-Y187 PolarHBondContact O-N 2.96Å; F184-Y187 WeakPolarHBondContact O-CB 3.46Å; F184-Y187 PolarHBondContact O-N 2.83Å; Y187-T189 VanDerWaalsContact C-N 3.32Å; Y187-T189 PolarHBondContact O-N 3.19Å; Y187-W190 PolarHBondContact O-N 3.13Å; Y187-W191 AromaticContact CE1-CD1 3.58Å; Y187-W191 AromaticContact CE1-NE1 3.29Å; Y187-W191 VanDerWaalsContact CE1-NE1 3.29Å; Y187-W191 AromaticContact CZ-CD1 3.98Å; Y187-W191 AromaticContact CZ-NE1 3.26Å; Y187-W191 VanDerWaalsContact CZ-NE1 3.26Å; Y187-W191 PolarHBondContact OH-NE1 3.22Å; Y187-W191 VanDerWaalsContact OH-NE1 3.12Å |
| 188 | A | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | L143 L169 A172 F184 W190 W191 I192 | L143-A188 HydrophobicContact CD2-CB 4.1Å; L169-A188 HydrophobicContact CD1-CB 3.97Å; A172-A188 HydrophobicContact CB-CB 3.79Å; F184-A188 HydrophobicContact CD1-CB 4.33Å; F184-A188 HydrophobicContact CE1-CB 3.86Å; F184-A188 HydrophobicContact CE2-CB 4.41Å; F184-A188 HydrophobicContact CZ-CB 3.9Å; F184-A188 WeakPolarHBondContact O-CB 3.48Å; F184-A188 PolarHBondContact O-N 2.99Å; A188-W190 PolarHBondContact O-N 3.45Å; A188-W190 VanDerWaalsContact O-N 3.15Å; A188-W191 PolarHBondContact O-N 2.88Å; A188-W191 VanDerWaalsContact O-N 3.11Å; A188-I192 HydrophobicContact CB-CD1 4.08Å; A188-I192 WeakPolarHBondContact O-CB 3.5Å; A188-I192 WeakPolarHBondContact O-CD1 3.14Å; A188-I192 WeakPolarHBondContact O-CG1 3.49Å; A188-I192 PolarHBondContact O-N 2.93Å |
| 189 | T | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.9 | -39.1 | 179.5 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | N76 I147 S185 Y187 R193 | N76-T189 HydrophobicContact CB-CG2 4.18Å; I147-T189 HydrophobicContact CD1-CG2 3.84Å; S185-T189 PolarHBondContact O-N 3.2Å; S185-T189 VanDerWaalsContact O-N 3.1Å; S185-T189 PolarHBondContact O-OG1 2.92Å; Y187-T189 VanDerWaalsContact C-N 3.32Å; Y187-T189 PolarHBondContact O-N 3.19Å; T189-R193 WeakPolarHBondContact O-CB 3.48Å; T189-R193 PolarHBondContact O-N 2.85Å |
| 190 | W | 90.1 | Very high | 90.7 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 5% | 0.053 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | 178.2 | -173.2 | 91.6 | 0 | 0 | 0 | 112.2 | E55 S60 V62 P68 S72 Y187 A188 I192 R193 Q194 | E55-W190 PolarHBondContact OE1-NE1 2.73Å; S60-W190 VanDerWaalsContact CB-CZ2 3.49Å; V62-W190 HydrophobicContact CG1-CH2 3.95Å; V62-W190 HydrophobicContact CG1-CZ2 3.66Å; P68-W190 HydrophobicContact CB-CB 4.06Å; P68-W190 HydrophobicContact CB-CD2 3.87Å; P68-W190 HydrophobicContact CB-CE3 4.43Å; P68-W190 HydrophobicContact CB-CG 3.71Å; P68-W190 HydrophobicContact CG-CB 4.4Å; P68-W190 HydrophobicContact CG-CD2 4.31Å; P68-W190 HydrophobicContact CG-CE3 4.4Å; P68-W190 HydrophobicContact CG-CG 4.34Å; S72-W190 VanDerWaalsContact OG-CD1 3.25Å; Y187-W190 PolarHBondContact O-N 3.13Å; A188-W190 PolarHBondContact O-N 3.45Å; A188-W190 VanDerWaalsContact O-N 3.15Å; W190-I192 VanDerWaalsContact C-N 3.35Å; W190-I192 PolarHBondContact O-N 3.4Å; W190-R193 PolarHBondContact O-N 2.74Å; W190-Q194 VanDerWaalsContact O-CB 3.27Å; W190-Q194 WeakPolarHBondContact O-CB 3.44Å; W190-Q194 PolarHBondContact O-N 3.42Å |
| 191 | W | 92.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | -179.5 | -70.8 | 101.6 | 0 | 0 | 0 | 112.5 | G168 K171 A172 K175 Y187 A188 A195 | G168-W191 VanDerWaalsContact O-CB 3.26Å; G168-W191 WeakPolarHBondContact O-CB 3.44Å; K171-W191 HydrophobicContact CB-CD2 4.36Å; K171-W191 HydrophobicContact CB-CE3 4Å; K171-W191 HydrophobicContact CD-CE3 4.39Å; A172-W191 HydrophobicContact CB-CB 3.91Å; A172-W191 HydrophobicContact CB-CG 3.9Å; K175-W191 HydrophobicContact CB-CZ2 4.48Å; K175-W191 HydrophobicContact CD-CH2 3.69Å; K175-W191 HydrophobicContact CD-CZ2 3.49Å; K175-W191 VanDerWaalsContact CD-CZ2 3.49Å; Y187-W191 AromaticContact CE1-CD1 3.58Å; Y187-W191 AromaticContact CE1-NE1 3.29Å; Y187-W191 VanDerWaalsContact CE1-NE1 3.29Å; Y187-W191 AromaticContact CZ-CD1 3.98Å; Y187-W191 AromaticContact CZ-NE1 3.26Å; Y187-W191 VanDerWaalsContact CZ-NE1 3.26Å; Y187-W191 PolarHBondContact OH-NE1 3.22Å; Y187-W191 VanDerWaalsContact OH-NE1 3.12Å; A188-W191 PolarHBondContact O-N 2.88Å; A188-W191 VanDerWaalsContact O-N 3.11Å; W191-A195 VanDerWaalsContact O-CB 3.31Å; W191-A195 WeakPolarHBondContact O-CB 3.4Å; W191-A195 PolarHBondContact O-N 3.11Å |
| 192 | I | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -50.2 | 176.1 | -63.5 | 163.3 | 0 | 0 | 0 | 109.8 | L143 V144 I147 L169 A188 W190 Q194 A195 I196 | L143-I192 HydrophobicContact CD2-CD1 3.99Å; L143-I192 HydrophobicContact CG-CD1 4.05Å; V144-I192 HydrophobicContact CG1-CG2 4.26Å; V144-I192 HydrophobicContact CG2-CD1 3.69Å; V144-I192 HydrophobicContact CG2-CG1 4.04Å; V144-I192 HydrophobicContact CG2-CG2 4.4Å; I147-I192 HydrophobicContact CB-CG2 4.02Å; I147-I192 HydrophobicContact CD1-CB 3.98Å; I147-I192 HydrophobicContact CD1-CD1 3.87Å; I147-I192 HydrophobicContact CD1-CG2 3.83Å; I147-I192 HydrophobicContact CG2-CG2 3.91Å; L169-I192 HydrophobicContact CB-CD1 4.31Å; L169-I192 HydrophobicContact CB-CG1 4.07Å; L169-I192 HydrophobicContact CD1-CD1 4.25Å; A188-I192 HydrophobicContact CB-CD1 4.08Å; A188-I192 WeakPolarHBondContact O-CB 3.5Å; A188-I192 WeakPolarHBondContact O-CD1 3.14Å; A188-I192 WeakPolarHBondContact O-CG1 3.49Å; A188-I192 PolarHBondContact O-N 2.93Å; W190-I192 VanDerWaalsContact C-N 3.35Å; W190-I192 PolarHBondContact O-N 3.4Å; I192-Q194 VanDerWaalsContact C-N 3.32Å; I192-Q194 PolarHBondContact O-N 3.06Å; I192-A195 PolarHBondContact O-N 3.2Å; I192-I196 HydrophobicContact CG2-CD1 3.73Å; I192-I196 HydrophobicContact CG2-CG1 4.49Å; I192-I196 VanDerWaalsContact O-CG1 3.31Å; I192-I196 WeakPolarHBondContact O-CG1 3.41Å; I192-I196 PolarHBondContact O-N 3.36Å |
| 193 | R | 91.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 30.1 Ų | 30.1 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 177.9 | -177 | -175.6 | -60.6 | 147.6 | 7.3 | 111.3 | E55 N76 Y151 T189 W190 T197 | E55-R193 IonicContact OE2-NH1 2.82Å; E55-R193 PolarHBondContact OE2-NH1 3.13Å; N76-R193 VanDerWaalsContact OD1-CZ 3.31Å; N76-R193 PolarHBondContact OD1-NH1 3.09Å; N76-R193 PolarHBondContact OD1-NH2 2.89Å; Y151-R193 WeakPolarHBondContact OH-CG 3.26Å; T189-R193 WeakPolarHBondContact O-CB 3.48Å; T189-R193 PolarHBondContact O-N 2.85Å; W190-R193 PolarHBondContact O-N 2.74Å; R193-T197 VanDerWaalsContact O-CB 3.3Å; R193-T197 WeakPolarHBondContact O-CB 3.37Å; R193-T197 PolarHBondContact O-N 3.21Å; R193-T197 PolarHBondContact O-OG1 3.39Å |
| 194 | Q | 88.3 | Confident | 91.2 | Very high | 63 Ų | 63 | 25.7 Ų | 25.7 | 29% | 0.294 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.4 | -47.3 | -179.9 | -174.9 | 66.7 | 12.2 | 0 | 0 | 111.1 | S60 W190 I192 R198 | S60-Q194 PolarHBondContact OG-NE2 3.21Å; S60-Q194 PolarHBondContact OG-OE1 2.97Å; W190-Q194 VanDerWaalsContact O-CB 3.27Å; W190-Q194 WeakPolarHBondContact O-CB 3.44Å; W190-Q194 PolarHBondContact O-N 3.42Å; I192-Q194 VanDerWaalsContact C-N 3.32Å; I192-Q194 PolarHBondContact O-N 3.06Å; Q194-R198 WeakPolarHBondContact O-CB 3.42Å; Q194-R198 PolarHBondContact O-N 3.29Å |
| 195 | A | 92.9 | Very high | 91 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 12% | 0.124 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E164 W191 I192 R198 A199 | E164-A195 VanDerWaalsContact O-CB 3.28Å; E164-A195 WeakPolarHBondContact O-CB 3.29Å; W191-A195 VanDerWaalsContact O-CB 3.31Å; W191-A195 WeakPolarHBondContact O-CB 3.4Å; W191-A195 PolarHBondContact O-N 3.11Å; I192-A195 PolarHBondContact O-N 3.2Å; A195-R198 PolarHBondContact O-N 3Å; A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 3.35Å |
| 196 | I | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -48.7 | 179 | -67.9 | 172.1 | 0 | 0 | 0 | 111.3 | I147 A148 Y151 L161 I192 R198 A199 I200 | I147-I196 HydrophobicContact CG2-CD1 4.19Å; A148-I196 HydrophobicContact CB-CD1 3.96Å; Y151-I196 HydrophobicContact CD1-CG2 4.14Å; Y151-I196 HydrophobicContact CD2-CG2 3.81Å; Y151-I196 HydrophobicContact CE2-CG2 4.41Å; Y151-I196 HydrophobicContact CG-CG2 3.68Å; L161-I196 HydrophobicContact CD2-CG2 3.75Å; I192-I196 HydrophobicContact CG2-CD1 3.73Å; I192-I196 HydrophobicContact CG2-CG1 4.49Å; I192-I196 VanDerWaalsContact O-CG1 3.31Å; I192-I196 WeakPolarHBondContact O-CG1 3.41Å; I192-I196 PolarHBondContact O-N 3.36Å; I196-R198 VanDerWaalsContact C-N 3.29Å; I196-R198 PolarHBondContact O-N 3.28Å; I196-A199 PolarHBondContact O-N 3.49Å; I196-I200 HydrophobicContact CG2-CD1 3.73Å; I196-I200 HydrophobicContact CG2-CG1 4.42Å; I196-I200 VanDerWaalsContact O-CG1 3.26Å; I196-I200 WeakPolarHBondContact O-CG1 3.39Å; I196-I200 PolarHBondContact O-N 3Å |
| 197 | T | 89.5 | Confident | 91 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -39.1 | -177.9 | -55.2 | 0 | 0 | 0 | 0 | 111 | R193 A201 | R193-T197 VanDerWaalsContact O-CB 3.3Å; R193-T197 WeakPolarHBondContact O-CB 3.37Å; R193-T197 PolarHBondContact O-N 3.21Å; R193-T197 PolarHBondContact O-OG1 3.39Å; T197-A201 PolarHBondContact O-N 3.47Å |
| 198 | R | 89.2 | Confident | 91.1 | Very high | 125 Ų | 125 | 49 Ų | 49 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 175.4 | 179.7 | 62.7 | -168.6 | -156.3 | 3 | 111.9 | Q194 A195 I196 I200 A201 D202 V211 | Q194-R198 WeakPolarHBondContact O-CB 3.42Å; Q194-R198 PolarHBondContact O-N 3.29Å; A195-R198 PolarHBondContact O-N 3Å; I196-R198 VanDerWaalsContact C-N 3.29Å; I196-R198 PolarHBondContact O-N 3.28Å; R198-I200 PolarHBondContact O-N 2.82Å; R198-A201 PolarHBondContact O-N 3.16Å; R198-D202 IonicContact CZ-OD2 2.72Å; R198-D202 IonicContact NE-OD2 3.82Å; R198-D202 PolarHBondContact NE-OD2 3.38Å; R198-D202 IonicContact NH2-OD1 3.96Å; R198-D202 IonicContact NH2-OD2 3.64Å; R198-D202 PolarHBondContact NH2-OD2 3.48Å; R198-D202 VanDerWaalsContact NH2-OD2 3.11Å; R198-D202 PolarHBondContact O-N 3.47Å; R198-V211 VanDerWaalsContact CZ-CG2 3.46Å |
| 199 | A | 92.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M156 E164 A195 I196 A201 D202 Q203 | M156-A199 HydrophobicContact CE-CB 4.11Å; M156-A199 WeakPolarHBondContact CE-O 3.49Å; E164-A199 HydrophobicContact CB-CB 3.73Å; E164-A199 VanDerWaalsContact CD-CB 3.46Å; E164-A199 HydrophobicContact CG-CB 3.4Å; E164-A199 VanDerWaalsContact CG-CB 3.4Å; E164-A199 WeakPolarHBondContact OE2-CB 3.4Å; A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 3.35Å; I196-A199 PolarHBondContact O-N 3.49Å; A199-A201 VanDerWaalsContact C-N 3.29Å; A199-A201 PolarHBondContact O-N 3.35Å; A199-D202 PolarHBondContact O-N 3.04Å; A199-Q203 WeakPolarHBondContact O-CB 3.46Å; A199-Q203 PolarHBondContact O-N 3.34Å |
| 200 | I | 91.4 | Very high | 90.8 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 174.2 | -68.8 | 164.7 | 0 | 0 | 0 | 110.4 | Y151 R154 L161 I196 R198 D202 A204 | Y151-I200 HydrophobicContact CD1-CD1 3.67Å; Y151-I200 HydrophobicContact CG-CD1 4.02Å; R154-I200 HydrophobicContact CB-CG2 4.31Å; L161-I200 HydrophobicContact CD2-CD1 3.72Å; L161-I200 HydrophobicContact CD2-CG1 3.68Å; I196-I200 HydrophobicContact CG2-CD1 3.73Å; I196-I200 HydrophobicContact CG2-CG1 4.42Å; I196-I200 VanDerWaalsContact O-CG1 3.26Å; I196-I200 WeakPolarHBondContact O-CG1 3.39Å; I196-I200 PolarHBondContact O-N 3Å; R198-I200 PolarHBondContact O-N 2.82Å; I200-D202 VanDerWaalsContact C-N 3.32Å; I200-D202 PolarHBondContact O-N 3.27Å; I200-A204 HydrophobicContact CB-CB 4.4Å; I200-A204 HydrophobicContact CG2-CB 3.87Å; I200-A204 WeakPolarHBondContact O-CB 3.32Å; I200-A204 PolarHBondContact O-N 2.71Å; I200-A204 VanDerWaalsContact O-N 3.07Å |
| 201 | A | 88.1 | Confident | 90.5 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | T197 R198 A199 V211 V214 | T197-A201 PolarHBondContact O-N 3.47Å; R198-A201 PolarHBondContact O-N 3.16Å; A199-A201 VanDerWaalsContact C-N 3.29Å; A199-A201 PolarHBondContact O-N 3.35Å; A201-V211 HydrophobicContact CB-CB 4.45Å; A201-V211 HydrophobicContact CB-CG1 4.02Å; A201-V211 HydrophobicContact CB-CG2 3.98Å; A201-V214 HydrophobicContact CB-CB 4.39Å; A201-V214 HydrophobicContact CB-CG1 4.19Å |
| 202 | D | 90.1 | Very high | 90 | Very high | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -85.4 | -28.2 | -177.1 | -87.4 | -41.6 | 0 | 0 | 0 | 114.1 | R198 A199 I200 R208 V211 | R198-D202 IonicContact CZ-OD2 2.72Å; R198-D202 IonicContact NE-OD2 3.82Å; R198-D202 PolarHBondContact NE-OD2 3.38Å; R198-D202 IonicContact NH2-OD1 3.96Å; R198-D202 IonicContact NH2-OD2 3.64Å; R198-D202 PolarHBondContact NH2-OD2 3.48Å; R198-D202 VanDerWaalsContact NH2-OD2 3.11Å; R198-D202 PolarHBondContact O-N 3.47Å; A199-D202 PolarHBondContact O-N 3.04Å; I200-D202 VanDerWaalsContact C-N 3.32Å; I200-D202 PolarHBondContact O-N 3.27Å; D202-R208 IonicContact OD1-CZ 3.14Å; D202-R208 IonicContact OD1-NE 2.77Å; D202-R208 IonicContact OD1-NH2 3.15Å; D202-R208 PolarHBondContact OD1-NH2 3.26Å; D202-V211 VanDerWaalsContact OD1-CG2 3.24Å; D202-V211 WeakPolarHBondContact OD1-CG2 3.41Å |
| 203 | Q | 90.9 | Very high | 89.8 | Confident | 112 Ų | 112 | 58.1 Ų | 58.1 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -132.1 | -13.4 | -166 | -60 | 176.5 | 4.2 | 0 | 0 | 115.8 | M156 A199 R205 | M156-Q203 HydrophobicContact CE-CB 3.62Å; A199-Q203 WeakPolarHBondContact O-CB 3.46Å; A199-Q203 PolarHBondContact O-N 3.34Å; Q203-R205 PolarHBondContact O-N 3.1Å |
| 204 | A | 88.1 | Confident | 89.6 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71.9 | -1.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R154 G155 M156 I200 | R154-A204 VanDerWaalsContact O-CB 3.29Å; R154-A204 WeakPolarHBondContact O-CB 3.48Å; G155-A204 CarbonylContact C-O 3.59Å; G155-A204 WeakPolarHBondContact CA-O 3.42Å; M156-A204 HydrophobicContact CB-CB 4.36Å; I200-A204 HydrophobicContact CB-CB 4.4Å; I200-A204 HydrophobicContact CG2-CB 3.87Å; I200-A204 WeakPolarHBondContact O-CB 3.32Å; I200-A204 PolarHBondContact O-N 2.71Å; I200-A204 VanDerWaalsContact O-N 3.07Å |
| 205 | R | 90.5 | Very high | 89.2 | Confident | 80 Ų | 80 | 57 Ų | 57 | 30% | 0.302 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -122.3 | 143.2 | 177.9 | -64 | -168.4 | -173.3 | -78.2 | 4.2 | 110.4 | Q203 I207 E260 | Q203-R205 PolarHBondContact O-N 3.1Å; R205-I207 VanDerWaalsContact C-N 3.27Å; R205-I207 WeakPolarHBondContact CB-O 3.5Å; R205-I207 PolarHBondContact O-N 3.22Å; R205-E260 IonicContact CZ-OE1 3.08Å; R205-E260 IonicContact NH1-OE1 2.76Å; R205-E260 PolarHBondContact NH1-OE1 3.35Å |
| 206 | T | 89.5 | Confident | 88.9 | Confident | 135 Ų | 135 | 58.3 Ų | 58.3 | 83% | 0.828 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -55.3 | -44.7 | 175.8 | -46.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 207 | I | 91.5 | Very high | 88.7 | Confident | 116 Ų | 116 | 58.5 Ų | 58.5 | 60% | 0.595 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -97.2 | 110.7 | 172 | -56.3 | 175.2 | 0 | 0 | 0 | 106.9 | R205 I209 P261 | R205-I207 VanDerWaalsContact C-N 3.27Å; R205-I207 WeakPolarHBondContact CB-O 3.5Å; R205-I207 PolarHBondContact O-N 3.22Å; I207-I209 PolarHBondContact O-N 3.46Å; I207-P261 HydrophobicContact CD1-CB 4.44Å |
| 208 | R | 92.4 | Very high | 88.5 | Confident | 168 Ų | 168 | 60.1 Ų | 60.1 | 63% | 0.634 | 30% | 0.3 | S | S | * | . | trans | -60.7 | 127.7 | -179.2 | 178.8 | 175.3 | -179.2 | 167.8 | 3.7 | 110.8 | D202 | D202-R208 IonicContact OD1-CZ 3.14Å; D202-R208 IonicContact OD1-NE 2.77Å; D202-R208 IonicContact OD1-NH2 3.15Å; D202-R208 PolarHBondContact OD1-NH2 3.26Å | ||
| 209 | I | 90.6 | Very high | 88.1 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | trans | -107 | 131.6 | 172.5 | -60.9 | 177.5 | 0 | 0 | 0 | 108.1 | I207 M213 V214 I217 I257 | I207-I209 PolarHBondContact O-N 3.46Å; I209-M213 HydrophobicContact CG2-CB 3.48Å; I209-M213 VanDerWaalsContact CG2-CB 3.48Å; I209-V214 HydrophobicContact CB-CG2 3.91Å; I209-V214 HydrophobicContact CG2-CG2 3.77Å; I209-I217 HydrophobicContact CD1-CD1 4.17Å; I209-I217 HydrophobicContact CG2-CD1 4.36Å; I209-I257 HydrophobicContact CD1-CG2 3.89Å; I209-I257 WeakPolarHBondContact CD1-O 3.39Å; I209-I257 HydrophobicContact CG1-CG2 4.27Å; I209-I257 HydrophobicContact CG2-CG2 4.28Å | ||
| 210 | P | 89.7 | Confident | 87.9 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | trans | -55.1 | 143.4 | 174.4 | -26.9 | 35.6 | 0 | 0 | 0 | 112.7 | H212 M213 V214 | P210-H212 VanDerWaalsContact C-N 3.34Å; P210-H212 PolarHBondContact O-N 3.03Å; P210-M213 HydrophobicContact CB-CG 4.49Å; P210-M213 WeakPolarHBondContact O-CA 3.4Å; P210-M213 VanDerWaalsContact O-CB 3.32Å; P210-M213 WeakPolarHBondContact O-CB 3.44Å; P210-M213 PolarHBondContact O-N 3.06Å; P210-V214 PolarHBondContact O-N 2.95Å; P210-V214 VanDerWaalsContact O-N 3.09Å | ||
| 211 | V | 84.3 | Confident | 87.8 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.5 | -42.4 | -172.7 | 179.2 | 0 | 0 | 0 | 0 | 113.8 | R198 A201 D202 M213 V214 E215 | R198-V211 VanDerWaalsContact CZ-CG2 3.46Å; A201-V211 HydrophobicContact CB-CB 4.45Å; A201-V211 HydrophobicContact CB-CG1 4.02Å; A201-V211 HydrophobicContact CB-CG2 3.98Å; D202-V211 VanDerWaalsContact OD1-CG2 3.24Å; D202-V211 WeakPolarHBondContact OD1-CG2 3.41Å; V211-M213 PolarHBondContact O-N 3.31Å; V211-V214 WeakPolarHBondContact O-CB 3.46Å; V211-V214 PolarHBondContact O-N 3.11Å; V211-E215 HydrophobicContact CG1-CG 4.42Å; V211-E215 WeakPolarHBondContact CG1-OE1 3.34Å; V211-E215 WeakPolarHBondContact O-CG 3.26Å; V211-E215 PolarHBondContact O-N 2.75Å |
| 212 | H | 81.8 | Confident | 87.6 | Confident | 114 Ų | 114 | 62.7 Ų | 62.7 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -29.7 | 176.7 | 71.5 | -88.5 | 0 | 0 | 0 | 112.7 | P210 T216 | P210-H212 VanDerWaalsContact C-N 3.34Å; P210-H212 PolarHBondContact O-N 3.03Å; H212-T216 WeakPolarHBondContact O-CB 3.47Å; H212-T216 PolarHBondContact O-N 3.42Å; H212-T216 VanDerWaalsContact O-N 3.09Å; H212-T216 PolarHBondContact O-OG1 3.44Å |
| 213 | M | 89.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 62 Ų | 62 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.3 | -41 | 174 | -69.2 | -57.5 | -64.9 | 0 | 0 | 111 | I209 P210 V211 E215 T216 I217 I254 I257 | I209-M213 HydrophobicContact CG2-CB 3.48Å; I209-M213 VanDerWaalsContact CG2-CB 3.48Å; P210-M213 HydrophobicContact CB-CG 4.49Å; P210-M213 WeakPolarHBondContact O-CA 3.4Å; P210-M213 VanDerWaalsContact O-CB 3.32Å; P210-M213 WeakPolarHBondContact O-CB 3.44Å; P210-M213 PolarHBondContact O-N 3.06Å; V211-M213 PolarHBondContact O-N 3.31Å; M213-E215 VanDerWaalsContact C-N 3.31Å; M213-E215 PolarHBondContact O-N 3.45Å; M213-T216 WeakPolarHBondContact O-CB 3.36Å; M213-T216 PolarHBondContact O-N 2.89Å; M213-T216 VanDerWaalsContact O-N 3.13Å; M213-I217 VanDerWaalsContact O-CG1 3.23Å; M213-I217 WeakPolarHBondContact O-CG1 3.23Å; M213-I217 PolarHBondContact O-N 3.26Å; M213-I254 HydrophobicContact CE-CG1 4.02Å; M213-I257 HydrophobicContact CE-CD1 3.86Å |
| 214 | V | 86.6 | Confident | 87.1 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | A201 I209 P210 V211 T216 I217 N218 | A201-V214 HydrophobicContact CB-CB 4.39Å; A201-V214 HydrophobicContact CB-CG1 4.19Å; I209-V214 HydrophobicContact CB-CG2 3.91Å; I209-V214 HydrophobicContact CG2-CG2 3.77Å; P210-V214 PolarHBondContact O-N 2.95Å; P210-V214 VanDerWaalsContact O-N 3.09Å; V211-V214 WeakPolarHBondContact O-CB 3.46Å; V211-V214 PolarHBondContact O-N 3.11Å; V214-T216 VanDerWaalsContact C-N 3.33Å; V214-T216 PolarHBondContact O-N 3.46Å; V214-I217 PolarHBondContact O-N 3.03Å; V214-N218 WeakPolarHBondContact O-CB 3.03Å; V214-N218 PolarHBondContact O-N 2.89Å; V214-N218 PolarHBondContact O-ND2 3.2Å |
| 215 | E | 80.8 | Confident | 87.1 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 174.7 | -70.6 | 169.7 | -164.1 | 0 | 0 | 112.7 | V211 M213 N218 K219 | V211-E215 HydrophobicContact CG1-CG 4.42Å; V211-E215 WeakPolarHBondContact CG1-OE1 3.34Å; V211-E215 WeakPolarHBondContact O-CG 3.26Å; V211-E215 PolarHBondContact O-N 2.75Å; M213-E215 VanDerWaalsContact C-N 3.31Å; M213-E215 PolarHBondContact O-N 3.45Å; E215-N218 PolarHBondContact O-N 3.39Å; E215-K219 WeakPolarHBondContact O-CB 3.26Å; E215-K219 PolarHBondContact O-N 3.07Å |
| 216 | T | 85.8 | Confident | 86.9 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | H212 M213 V214 K219 L220 M244 I254 | H212-T216 WeakPolarHBondContact O-CB 3.47Å; H212-T216 PolarHBondContact O-N 3.42Å; H212-T216 VanDerWaalsContact O-N 3.09Å; H212-T216 PolarHBondContact O-OG1 3.44Å; M213-T216 WeakPolarHBondContact O-CB 3.36Å; M213-T216 PolarHBondContact O-N 2.89Å; M213-T216 VanDerWaalsContact O-N 3.13Å; V214-T216 VanDerWaalsContact C-N 3.33Å; V214-T216 PolarHBondContact O-N 3.46Å; T216-K219 PolarHBondContact O-N 3.44Å; T216-L220 WeakPolarHBondContact O-CB 3.37Å; T216-L220 PolarHBondContact O-N 3.49Å; T216-M244 HydrophobicContact CG2-CE 4.5Å; T216-I254 HydrophobicContact CG2-CD1 3.66Å; T216-I254 HydrophobicContact CG2-CG1 4.38Å; T216-I254 HydrophobicContact CG2-CG2 4.5Å |
| 217 | I | 89.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.3 | -67.9 | 163.8 | 0 | 0 | 0 | 110.4 | I209 M213 V214 K219 L220 I221 I254 I257 A258 | I209-I217 HydrophobicContact CD1-CD1 4.17Å; I209-I217 HydrophobicContact CG2-CD1 4.36Å; M213-I217 VanDerWaalsContact O-CG1 3.23Å; M213-I217 WeakPolarHBondContact O-CG1 3.23Å; M213-I217 PolarHBondContact O-N 3.26Å; V214-I217 PolarHBondContact O-N 3.03Å; I217-K219 VanDerWaalsContact C-N 3.3Å; I217-K219 PolarHBondContact O-N 2.94Å; I217-L220 WeakPolarHBondContact O-CB 3.33Å; I217-L220 PolarHBondContact O-N 3.24Å; I217-L220 VanDerWaalsContact O-N 3.13Å; I217-I221 HydrophobicContact CG2-CD1 3.78Å; I217-I221 HydrophobicContact CG2-CG1 4.4Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 3.44Å; I217-I254 HydrophobicContact CG1-CG2 3.7Å; I217-I257 HydrophobicContact CD1-CG2 4.32Å; I217-A258 HydrophobicContact CD1-CB 4.05Å; I217-A258 HydrophobicContact CG1-CB 4.07Å; I217-A258 HydrophobicContact CG2-CB 3.79Å |
| 218 | N | 85.8 | Confident | 86.9 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 177.8 | -73.8 | -24.6 | 0 | 0 | 0 | 112.3 | V214 E215 R222 | V214-N218 WeakPolarHBondContact O-CB 3.03Å; V214-N218 PolarHBondContact O-N 2.89Å; V214-N218 PolarHBondContact O-ND2 3.2Å; E215-N218 PolarHBondContact O-N 3.39Å; N218-R222 WeakPolarHBondContact O-CB 3.28Å; N218-R222 PolarHBondContact O-N 3.27Å |
| 219 | K | 81.6 | Confident | 86.9 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 21% | 0.213 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 173.2 | -172 | -179.1 | 176.7 | -174.5 | 0 | 110.9 | E215 T216 I217 R222 V223 M244 | E215-K219 WeakPolarHBondContact O-CB 3.26Å; E215-K219 PolarHBondContact O-N 3.07Å; T216-K219 PolarHBondContact O-N 3.44Å; I217-K219 VanDerWaalsContact C-N 3.3Å; I217-K219 PolarHBondContact O-N 2.94Å; K219-R222 WeakPolarHBondContact O-CB 3.49Å; K219-R222 PolarHBondContact O-N 3.1Å; K219-V223 WeakPolarHBondContact O-CG2 3.39Å; K219-V223 PolarHBondContact O-N 3.36Å; K219-M244 HydrophobicContact CB-CE 4.18Å; K219-M244 HydrophobicContact CD-CE 3.99Å; K219-M244 HydrophobicContact CG-CE 3.99Å |
| 220 | L | 87.9 | Confident | 87 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 177.1 | -171.9 | 160.2 | 0 | 0 | 0 | 110.8 | T216 I217 R222 V223 Q224 I240 M244 V251 I254 L255 | T216-L220 WeakPolarHBondContact O-CB 3.37Å; T216-L220 PolarHBondContact O-N 3.49Å; I217-L220 WeakPolarHBondContact O-CB 3.33Å; I217-L220 PolarHBondContact O-N 3.24Å; I217-L220 VanDerWaalsContact O-N 3.13Å; L220-R222 VanDerWaalsContact C-N 3.25Å; L220-R222 PolarHBondContact O-N 3.38Å; L220-V223 PolarHBondContact O-N 2.89Å; L220-Q224 VanDerWaalsContact O-CB 3.28Å; L220-Q224 WeakPolarHBondContact O-CB 3.45Å; L220-Q224 PolarHBondContact O-N 2.99Å; L220-I240 HydrophobicContact CD1-CG2 4.42Å; L220-I240 HydrophobicContact CD2-CG2 4.47Å; L220-I240 HydrophobicContact CG-CG2 3.94Å; L220-M244 HydrophobicContact CB-CE 4.15Å; L220-M244 HydrophobicContact CB-SD 3.83Å; L220-M244 HydrophobicContact CG-SD 4Å; L220-V251 HydrophobicContact CD1-CG1 4.12Å; L220-I254 HydrophobicContact CD1-CB 4.13Å; L220-I254 HydrophobicContact CD1-CG2 3.7Å; L220-L255 HydrophobicContact CD1-CD2 4.31Å; L220-L255 HydrophobicContact CD1-CG 4.27Å; L220-L255 HydrophobicContact CD2-CD2 3.74Å |
| 221 | I | 87.8 | Confident | 87.1 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 177.7 | -67.5 | 167.5 | 0 | 0 | 0 | 111 | I217 R225 | I217-I221 HydrophobicContact CG2-CD1 3.78Å; I217-I221 HydrophobicContact CG2-CG1 4.4Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 3.44Å; I221-R225 WeakPolarHBondContact O-CG 3.39Å; I221-R225 PolarHBondContact O-N 3.47Å |
| 222 | R | 84.5 | Confident | 87.5 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 176.7 | -170.4 | -176.7 | -61.6 | -179.8 | -1.2 | 111.7 | N218 K219 L220 Q224 R225 Q226 | N218-R222 WeakPolarHBondContact O-CB 3.28Å; N218-R222 PolarHBondContact O-N 3.27Å; K219-R222 WeakPolarHBondContact O-CB 3.49Å; K219-R222 PolarHBondContact O-N 3.1Å; L220-R222 VanDerWaalsContact C-N 3.25Å; L220-R222 PolarHBondContact O-N 3.38Å; R222-Q224 VanDerWaalsContact C-N 3.34Å; R222-R225 PolarHBondContact O-N 2.89Å; R222-Q226 PolarHBondContact O-N 2.78Å |
| 223 | V | 83.7 | Confident | 88.1 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.8 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | K219 L220 R225 Q226 L227 E243 M244 | K219-V223 WeakPolarHBondContact O-CG2 3.39Å; K219-V223 PolarHBondContact O-N 3.36Å; L220-V223 PolarHBondContact O-N 2.89Å; V223-R225 VanDerWaalsContact C-N 3.33Å; V223-R225 PolarHBondContact O-N 3.14Å; V223-Q226 PolarHBondContact O-N 3.38Å; V223-L227 HydrophobicContact CG1-CD1 3.82Å; V223-L227 HydrophobicContact CG1-CG 4.19Å; V223-L227 WeakPolarHBondContact O-CB 3.46Å; V223-L227 WeakPolarHBondContact O-CG 3.5Å; V223-L227 PolarHBondContact O-N 2.75Å; V223-E243 HydrophobicContact CG1-CB 3.87Å; V223-E243 HydrophobicContact CG1-CG 3.67Å; V223-M244 HydrophobicContact CB-CG 4.32Å; V223-M244 HydrophobicContact CG1-CG 4.19Å; V223-M244 HydrophobicContact CG2-CG 4.03Å |
| 224 | Q | 86.7 | Confident | 88.2 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 176.6 | -172 | -176.9 | 28.5 | 0 | 0 | 111.5 | L220 R222 L228 P235 I240 | L220-Q224 VanDerWaalsContact O-CB 3.28Å; L220-Q224 WeakPolarHBondContact O-CB 3.45Å; L220-Q224 PolarHBondContact O-N 2.99Å; R222-Q224 VanDerWaalsContact C-N 3.34Å; Q224-L228 WeakPolarHBondContact O-CB 3.46Å; Q224-L228 PolarHBondContact O-N 3.35Å; Q224-P235 HydrophobicContact CB-CG 4.41Å; Q224-P235 HydrophobicContact CG-CG 3.71Å; Q224-I240 HydrophobicContact CG-CD1 4.35Å |
| 225 | R | 89.2 | Confident | 88.6 | Confident | 182 Ų | 182 | 73.7 Ų | 73.7 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 175.5 | -74.8 | 176.6 | -172.9 | 177.9 | 3 | 112.5 | I221 R222 V223 L228 Q229 | I221-R225 WeakPolarHBondContact O-CG 3.39Å; I221-R225 PolarHBondContact O-N 3.47Å; R222-R225 PolarHBondContact O-N 2.89Å; V223-R225 VanDerWaalsContact C-N 3.33Å; V223-R225 PolarHBondContact O-N 3.14Å; R225-L228 PolarHBondContact O-N 2.95Å; R225-Q229 PolarHBondContact O-N 3.01Å; R225-Q229 VanDerWaalsContact O-N 3.12Å |
| 226 | Q | 85.7 | Confident | 89.3 | Confident | 90 Ų | 90 | 74.3 Ų | 74.3 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -49.4 | 176.9 | -177.5 | 175.3 | -7.5 | 0 | 0 | 111.2 | R222 V223 L228 Q229 D230 | R222-Q226 PolarHBondContact O-N 2.78Å; V223-Q226 PolarHBondContact O-N 3.38Å; Q226-L228 VanDerWaalsContact C-N 3.29Å; Q226-L228 PolarHBondContact O-N 3.25Å; Q226-Q229 WeakPolarHBondContact O-CB 3.21Å; Q226-Q229 PolarHBondContact O-N 3.27Å; Q226-Q229 VanDerWaalsContact O-N 3.12Å; Q226-D230 PolarHBondContact O-N 3.47Å |
| 227 | L | 88.6 | Confident | 89.7 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 176.9 | -70.6 | 175 | 0 | 0 | 0 | 112.3 | V223 Q229 D230 L231 P235 I240 E243 | V223-L227 HydrophobicContact CG1-CD1 3.82Å; V223-L227 HydrophobicContact CG1-CG 4.19Å; V223-L227 WeakPolarHBondContact O-CB 3.46Å; V223-L227 WeakPolarHBondContact O-CG 3.5Å; V223-L227 PolarHBondContact O-N 2.75Å; L227-Q229 VanDerWaalsContact C-N 3.3Å; L227-Q229 PolarHBondContact O-N 3.45Å; L227-D230 PolarHBondContact O-N 3.24Å; L227-L231 HydrophobicContact CB-CD1 4.37Å; L227-L231 WeakPolarHBondContact O-CB 3.32Å; L227-L231 VanDerWaalsContact O-CG 3.26Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.93Å; L227-P235 HydrophobicContact CB-CB 3.77Å; L227-P235 HydrophobicContact CB-CG 3.89Å; L227-P235 HydrophobicContact CD1-CB 3.88Å; L227-P235 HydrophobicContact CD1-CG 4.31Å; L227-P235 HydrophobicContact CG-CB 4.48Å; L227-I240 HydrophobicContact CD1-CG1 4.13Å; L227-E243 HydrophobicContact CD1-CB 4.37Å |
| 228 | L | 92.6 | Very high | 90 | Very high | 82 Ų | 82 | 77.6 Ų | 77.6 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 174.7 | -176.7 | 150.7 | 0 | 0 | 0 | 111.4 | Q224 R225 Q226 G232 E234 | Q224-L228 WeakPolarHBondContact O-CB 3.46Å; Q224-L228 PolarHBondContact O-N 3.35Å; R225-L228 PolarHBondContact O-N 2.95Å; Q226-L228 VanDerWaalsContact C-N 3.29Å; Q226-L228 PolarHBondContact O-N 3.25Å; L228-G232 VanDerWaalsContact O-CA 3.31Å; L228-G232 WeakPolarHBondContact O-CA 3.44Å; L228-G232 PolarHBondContact O-N 3.09Å; L228-E234 HydrophobicContact CD1-CG 4.34Å |
| 229 | Q | 91.9 | Very high | 90.3 | Very high | 159 Ų | 159 | 76 Ų | 76 | 74% | 0.743 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.7 | -41.9 | 174.8 | -177.4 | 176.8 | -4.8 | 0 | 0 | 112 | R225 Q226 L227 | R225-Q229 PolarHBondContact O-N 3.01Å; R225-Q229 VanDerWaalsContact O-N 3.12Å; Q226-Q229 WeakPolarHBondContact O-CB 3.21Å; Q226-Q229 PolarHBondContact O-N 3.27Å; Q226-Q229 VanDerWaalsContact O-N 3.12Å; L227-Q229 VanDerWaalsContact C-N 3.3Å; L227-Q229 PolarHBondContact O-N 3.45Å |
| 230 | D | 92 | Very high | 90.8 | Very high | 111 Ų | 111 | 73.7 Ų | 73.7 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -74.6 | -37.3 | -176.9 | -68 | -23.2 | 0 | 0 | 0 | 112.8 | Q226 L227 | Q226-D230 PolarHBondContact O-N 3.47Å; L227-D230 PolarHBondContact O-N 3.24Å |
| 231 | L | 92.2 | Very high | 90.9 | Very high | 75 Ų | 75 | 73.7 Ų | 73.7 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -91.3 | -20.8 | -177.6 | -61.5 | 174.7 | 0 | 0 | 0 | 113.2 | L227 R233 P235 | L227-L231 HydrophobicContact CB-CD1 4.37Å; L227-L231 WeakPolarHBondContact O-CB 3.32Å; L227-L231 VanDerWaalsContact O-CG 3.26Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.93Å; L231-R233 HydrophobicContact CB-CG 4.09Å; L231-R233 PolarHBondContact O-N 3.41Å; L231-P235 HydrophobicContact CD1-CB 4.12Å |
| 232 | G | 92.9 | Very high | 91.1 | Very high | 70 Ų | 70 | 74.7 Ų | 74.7 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 66.6 | 11.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L228 | L228-G232 VanDerWaalsContact O-CA 3.31Å; L228-G232 WeakPolarHBondContact O-CA 3.44Å; L228-G232 PolarHBondContact O-N 3.09Å |
| 233 | R | 94.4 | Very high | 91.2 | Very high | 122 Ų | 122 | 73.9 Ų | 73.9 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -144.2 | 165.3 | 175.4 | 63.5 | 163.6 | 176.5 | 80.8 | 1.4 | 110.4 | L231 E239 | L231-R233 HydrophobicContact CB-CG 4.09Å; L231-R233 PolarHBondContact O-N 3.41Å; R233-E239 IonicContact CZ-OE1 2.8Å; R233-E239 IonicContact CZ-OE2 2.65Å; R233-E239 IonicContact NH1-OE1 3.5Å; R233-E239 IonicContact NH1-OE2 3.76Å; R233-E239 PolarHBondContact NH1-OE2 2.88Å; R233-E239 IonicContact NH2-OE1 3.52Å; R233-E239 PolarHBondContact NH2-OE1 3.23Å; R233-E239 IonicContact NH2-OE2 2.71Å |
| 234 | E | 92.2 | Very high | 91.3 | Very high | 151 Ų | 151 | 73.5 Ų | 73.5 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 130.8 | 172.5 | -66.1 | -165.9 | 164.6 | 0 | 0 | 110.8 | L228 | L228-E234 HydrophobicContact CD1-CG 4.34Š|
| 235 | P | 94.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 76.9 Ų | 76.9 | 7% | 0.071 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 144 | 178.4 | 31 | -35.3 | 0 | 0 | 0 | 111 | Q224 L227 L231 E239 I240 | Q224-P235 HydrophobicContact CB-CG 4.41Å; Q224-P235 HydrophobicContact CG-CG 3.71Å; L227-P235 HydrophobicContact CB-CB 3.77Å; L227-P235 HydrophobicContact CB-CG 3.89Å; L227-P235 HydrophobicContact CD1-CB 3.88Å; L227-P235 HydrophobicContact CD1-CG 4.31Å; L227-P235 HydrophobicContact CG-CB 4.48Å; L231-P235 HydrophobicContact CD1-CB 4.12Å; P235-E239 HydrophobicContact CB-CB 4.42Å; P235-I240 HydrophobicContact CB-CD1 4.48Å; P235-I240 HydrophobicContact CB-CG1 3.97Å; P235-I240 HydrophobicContact CG-CD1 4.05Å; P235-I240 HydrophobicContact CG-CG1 3.91Å |
| 236 | T | 95.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 70.5 Ų | 70.5 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 154.5 | 175.1 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | E238 E239 I240 | T236-E238 WeakPolarHBondContact CB-OE2 2.86Å; T236-E238 PolarHBondContact O-N 3.18Å; T236-E238 VanDerWaalsContact O-N 3.14Å; T236-E239 PolarHBondContact N-OE2 2.75Å; T236-E239 PolarHBondContact O-N 3.04Å; T236-E239 WeakPolarHBondContact OG1-CG 3.24Å; T236-E239 PolarHBondContact OG1-N 2.91Å; T236-E239 PolarHBondContact OG1-OE2 3.11Å; T236-I240 WeakPolarHBondContact O-CG1 3.34Å; T236-I240 PolarHBondContact O-N 2.86Å |
| 237 | P | 94.5 | Very high | 91.8 | Very high | 34 Ų | 34 | 70.5 Ų | 70.5 | 22% | 0.221 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.1 | -32.1 | 175.5 | -27.5 | 35.9 | 0 | 0 | 0 | 113.7 | G241 T248 V251 R252 L255 | P237-G241 PolarHBondContact O-N 2.78Å; P237-T248 HydrophobicContact CB-CG2 4.06Å; P237-V251 HydrophobicContact CB-CG1 4.13Å; P237-R252 HydrophobicContact CB-CG 4.01Å; P237-R252 HydrophobicContact CG-CG 4.28Å; P237-L255 HydrophobicContact CG-CD1 4.43Å |
| 238 | E | 94.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 71.7 Ų | 71.7 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 176.1 | -64.3 | 72.7 | -162.7 | 0 | 0 | 111.7 | T236 G241 A242 T248 R252 | T236-E238 WeakPolarHBondContact CB-OE2 2.86Å; T236-E238 PolarHBondContact O-N 3.18Å; T236-E238 VanDerWaalsContact O-N 3.14Å; E238-G241 PolarHBondContact O-N 2.77Å; E238-A242 WeakPolarHBondContact O-CB 3.18Å; E238-A242 PolarHBondContact O-N 2.96Å; E238-T248 HydrophobicContact CB-CG2 4.46Å; E238-T248 HydrophobicContact CG-CG2 3.66Å; E238-T248 VanDerWaalsContact OE1-CG2 3.26Å; E238-T248 WeakPolarHBondContact OE1-CG2 3.15Å; E238-R252 IonicContact OE1-CZ 3.8Å; E238-R252 IonicContact OE1-NH2 3.99Å; E238-R252 PolarHBondContact OE1-NH2 3.31Å |
| 239 | E | 93.3 | Very high | 92.2 | Very high | 55 Ų | 55 | 75.4 Ų | 75.4 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 176.5 | -72.5 | 163.2 | 152.4 | 0 | 0 | 111.5 | R233 P235 T236 A242 E243 | R233-E239 IonicContact CZ-OE1 2.8Å; R233-E239 IonicContact CZ-OE2 2.65Å; R233-E239 IonicContact NH1-OE1 3.5Å; R233-E239 IonicContact NH1-OE2 3.76Å; R233-E239 PolarHBondContact NH1-OE2 2.88Å; R233-E239 IonicContact NH2-OE1 3.52Å; R233-E239 PolarHBondContact NH2-OE1 3.23Å; R233-E239 IonicContact NH2-OE2 2.71Å; P235-E239 HydrophobicContact CB-CB 4.42Å; T236-E239 PolarHBondContact N-OE2 2.75Å; T236-E239 PolarHBondContact O-N 3.04Å; T236-E239 WeakPolarHBondContact OG1-CG 3.24Å; T236-E239 PolarHBondContact OG1-N 2.91Å; T236-E239 PolarHBondContact OG1-OE2 3.11Å; E239-A242 PolarHBondContact O-N 3.31Å; E239-E243 PolarHBondContact O-N 3.29Å; E239-E243 VanDerWaalsContact O-N 3.17Å |
| 240 | I | 91.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.4 | -61.1 | 170.2 | 0 | 0 | 0 | 110.5 | L220 Q224 L227 P235 T236 A242 E243 M244 V251 | L220-I240 HydrophobicContact CD1-CG2 4.42Å; L220-I240 HydrophobicContact CD2-CG2 4.47Å; L220-I240 HydrophobicContact CG-CG2 3.94Å; Q224-I240 HydrophobicContact CG-CD1 4.35Å; L227-I240 HydrophobicContact CD1-CG1 4.13Å; P235-I240 HydrophobicContact CB-CD1 4.48Å; P235-I240 HydrophobicContact CB-CG1 3.97Å; P235-I240 HydrophobicContact CG-CD1 4.05Å; P235-I240 HydrophobicContact CG-CG1 3.91Å; T236-I240 WeakPolarHBondContact O-CG1 3.34Å; T236-I240 PolarHBondContact O-N 2.86Å; I240-A242 VanDerWaalsContact C-N 3.35Å; I240-E243 PolarHBondContact O-N 2.98Å; I240-M244 HydrophobicContact CG2-CG 4.37Å; I240-M244 HydrophobicContact CG2-SD 3.87Å; I240-M244 WeakPolarHBondContact O-CB 3.41Å; I240-M244 WeakPolarHBondContact O-CG 3.28Å; I240-M244 PolarHBondContact O-N 3.25Å; I240-V251 HydrophobicContact CB-CG1 4.14Å; I240-V251 HydrophobicContact CG2-CG1 3.96Å |
| 241 | G | 91.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P237 E238 E243 M244 D245 L246 | P237-G241 PolarHBondContact O-N 2.78Å; E238-G241 PolarHBondContact O-N 2.77Å; G241-E243 PolarHBondContact O-N 3.29Å; G241-M244 PolarHBondContact O-N 3.49Å; G241-D245 PolarHBondContact O-N 3.49Å; G241-L246 CarbonylContact C-O 3.31Å; G241-L246 VanDerWaalsContact CA-O 3.24Å; G241-L246 WeakPolarHBondContact CA-O 3.37Å; G241-L246 PolarHBondContact O-N 3.49Å |
| 242 | A | 90.6 | Very high | 92.5 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E238 E239 I240 | E238-A242 WeakPolarHBondContact O-CB 3.18Å; E238-A242 PolarHBondContact O-N 2.96Å; E239-A242 PolarHBondContact O-N 3.31Å; I240-A242 VanDerWaalsContact C-N 3.35Å |
| 243 | E | 87.2 | Confident | 92.6 | Very high | 105 Ų | 105 | 69.8 Ų | 69.8 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -75.1 | -28.6 | 178.8 | -170.4 | 59.6 | -149.8 | 0 | 0 | 112.8 | V223 L227 E239 I240 G241 | V223-E243 HydrophobicContact CG1-CB 3.87Å; V223-E243 HydrophobicContact CG1-CG 3.67Å; L227-E243 HydrophobicContact CD1-CB 4.37Å; E239-E243 PolarHBondContact O-N 3.29Å; E239-E243 VanDerWaalsContact O-N 3.17Å; I240-E243 PolarHBondContact O-N 2.98Å; G241-E243 PolarHBondContact O-N 3.29Å |
| 244 | M | 86.1 | Confident | 92.5 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -90.8 | -5.8 | -179.4 | -70.3 | -171.3 | 69.2 | 0 | 0 | 114.9 | T216 K219 L220 V223 I240 G241 L246 | T216-M244 HydrophobicContact CG2-CE 4.5Å; K219-M244 HydrophobicContact CB-CE 4.18Å; K219-M244 HydrophobicContact CD-CE 3.99Å; K219-M244 HydrophobicContact CG-CE 3.99Å; L220-M244 HydrophobicContact CB-CE 4.15Å; L220-M244 HydrophobicContact CB-SD 3.83Å; L220-M244 HydrophobicContact CG-SD 4Å; V223-M244 HydrophobicContact CB-CG 4.32Å; V223-M244 HydrophobicContact CG1-CG 4.19Å; V223-M244 HydrophobicContact CG2-CG 4.03Å; I240-M244 HydrophobicContact CG2-CG 4.37Å; I240-M244 HydrophobicContact CG2-SD 3.87Å; I240-M244 WeakPolarHBondContact O-CB 3.41Å; I240-M244 WeakPolarHBondContact O-CG 3.28Å; I240-M244 PolarHBondContact O-N 3.25Å; G241-M244 PolarHBondContact O-N 3.49Å; M244-L246 VanDerWaalsContact C-N 3.33Å; M244-L246 HydrophobicContact CB-CB 4.36Å; M244-L246 HydrophobicContact CB-CD1 4.03Å; M244-L246 HydrophobicContact CB-CG 4.05Å; M244-L246 HydrophobicContact CE-CD1 3.82Å; M244-L246 HydrophobicContact SD-CD1 4.35Å |
| 245 | D | 88.9 | Confident | 92.5 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 46.8 | -164.9 | -52.9 | -56.8 | 0 | 0 | 0 | 112.2 | K19 G241 | K19-D245 IonicContact NZ-OD2 3.69Å; G241-D245 PolarHBondContact O-N 3.49Å |
| 246 | L | 90 | Very high | 92.5 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | trans | -122.4 | 142.5 | 178.4 | -70.1 | 177.5 | 0 | 0 | 0 | 111.1 | G241 M244 V251 I254 | G241-L246 CarbonylContact C-O 3.31Å; G241-L246 VanDerWaalsContact CA-O 3.24Å; G241-L246 WeakPolarHBondContact CA-O 3.37Å; G241-L246 PolarHBondContact O-N 3.49Å; M244-L246 VanDerWaalsContact C-N 3.33Å; M244-L246 HydrophobicContact CB-CB 4.36Å; M244-L246 HydrophobicContact CB-CD1 4.03Å; M244-L246 HydrophobicContact CB-CG 4.05Å; M244-L246 HydrophobicContact CE-CD1 3.82Å; M244-L246 HydrophobicContact SD-CD1 4.35Å; L246-V251 HydrophobicContact CB-CG2 3.94Å; L246-I254 HydrophobicContact CD1-CD1 3.96Å | ||
| 247 | P | 93.5 | Very high | 92.4 | Very high | 90 Ų | 90 | 66.9 Ų | 66.9 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | trans | -58.2 | 141.5 | 169.9 | -21.9 | 32.7 | 0 | 0 | 0 | 111.2 | E249 K250 V251 | P247-E249 PolarHBondContact O-N 2.93Å; P247-K250 HydrophobicContact CB-CB 4.42Å; P247-K250 WeakPolarHBondContact O-CA 3.48Å; P247-K250 WeakPolarHBondContact O-CB 3.47Å; P247-K250 PolarHBondContact O-N 3.12Å; P247-V251 PolarHBondContact O-N 3.43Å; P247-V251 VanDerWaalsContact O-N 3.11Å | ||
| 248 | T | 94.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 66.5 Ų | 66.5 | 28% | 0.282 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.1 | -40.7 | 178.9 | -51.1 | 0 | 0 | 0 | 0 | 112.6 | P237 E238 K250 V251 R252 | P237-T248 HydrophobicContact CB-CG2 4.06Å; E238-T248 HydrophobicContact CB-CG2 4.46Å; E238-T248 HydrophobicContact CG-CG2 3.66Å; E238-T248 VanDerWaalsContact OE1-CG2 3.26Å; E238-T248 WeakPolarHBondContact OE1-CG2 3.15Å; T248-K250 VanDerWaalsContact C-N 3.31Å; T248-K250 PolarHBondContact O-N 2.97Å; T248-V251 PolarHBondContact O-N 3.46Å; T248-R252 WeakPolarHBondContact O-CG 3.41Å; T248-R252 PolarHBondContact O-N 3.35Å |
| 249 | E | 95.1 | Very high | 92.1 | Very high | 160 Ų | 160 | 69.3 Ų | 69.3 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.3 | -41.2 | 176.6 | -66.9 | -173.3 | 163.1 | 0 | 0 | 111.9 | P247 V251 R252 E253 | P247-E249 PolarHBondContact O-N 2.93Å; E249-V251 VanDerWaalsContact C-N 3.34Å; E249-V251 PolarHBondContact O-N 3.04Å; E249-R252 PolarHBondContact O-N 2.87Å; E249-E253 PolarHBondContact O-N 3.43Å |
| 250 | K | 92.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 73.5 Ų | 73.5 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 178.5 | -168.2 | 55.2 | 171.6 | -180 | 0 | 111.5 | P247 T248 E253 I254 | P247-K250 HydrophobicContact CB-CB 4.42Å; P247-K250 WeakPolarHBondContact O-CA 3.48Å; P247-K250 WeakPolarHBondContact O-CB 3.47Å; P247-K250 PolarHBondContact O-N 3.12Å; T248-K250 VanDerWaalsContact C-N 3.31Å; T248-K250 PolarHBondContact O-N 2.97Å; K250-E253 WeakPolarHBondContact CD-OE2 3.44Å; K250-E253 IonicContact NZ-OE1 3.72Å; K250-E253 PolarHBondContact NZ-OE1 2.84Å; K250-E253 IonicContact NZ-OE2 2.75Å; K250-E253 PolarHBondContact NZ-OE2 3.37Å; K250-E253 WeakPolarHBondContact O-CB 3.46Å; K250-E253 PolarHBondContact O-N 3.19Å; K250-I254 HydrophobicContact CG-CD1 4.1Å; K250-I254 WeakPolarHBondContact O-CD1 3.49Å; K250-I254 WeakPolarHBondContact O-CG1 3.29Å; K250-I254 PolarHBondContact O-N 2.94Å |
| 251 | V | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.9 | 175 | 0 | 0 | 0 | 0 | 110.8 | L220 P237 I240 L246 P247 T248 E249 E253 I254 L255 | L220-V251 HydrophobicContact CD1-CG1 4.12Å; P237-V251 HydrophobicContact CB-CG1 4.13Å; I240-V251 HydrophobicContact CB-CG1 4.14Å; I240-V251 HydrophobicContact CG2-CG1 3.96Å; L246-V251 HydrophobicContact CB-CG2 3.94Å; P247-V251 PolarHBondContact O-N 3.43Å; P247-V251 VanDerWaalsContact O-N 3.11Å; T248-V251 PolarHBondContact O-N 3.46Å; E249-V251 VanDerWaalsContact C-N 3.34Å; E249-V251 PolarHBondContact O-N 3.04Å; V251-E253 VanDerWaalsContact C-N 3.33Å; V251-E253 PolarHBondContact O-N 2.96Å; V251-I254 PolarHBondContact O-N 3.17Å; V251-L255 HydrophobicContact CG1-CD1 4.08Å; V251-L255 HydrophobicContact CG1-CG 4.47Å; V251-L255 WeakPolarHBondContact O-CB 3.33Å; V251-L255 WeakPolarHBondContact O-CG 3.47Å; V251-L255 PolarHBondContact O-N 2.92Å |
| 252 | R | 95.4 | Very high | 91.6 | Very high | 134 Ų | 134 | 81.9 Ų | 81.9 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.2 | -68.5 | 178.7 | -173.7 | 168.8 | 2.4 | 112.1 | P237 E238 T248 E249 L255 K256 | P237-R252 HydrophobicContact CB-CG 4.01Å; P237-R252 HydrophobicContact CG-CG 4.28Å; E238-R252 IonicContact OE1-CZ 3.8Å; E238-R252 IonicContact OE1-NH2 3.99Å; E238-R252 PolarHBondContact OE1-NH2 3.31Å; T248-R252 WeakPolarHBondContact O-CG 3.41Å; T248-R252 PolarHBondContact O-N 3.35Å; E249-R252 PolarHBondContact O-N 2.87Å; R252-L255 PolarHBondContact O-N 3.33Å; R252-K256 WeakPolarHBondContact O-CB 3.4Å; R252-K256 PolarHBondContact O-N 2.79Å |
| 253 | E | 95 | Very high | 91.6 | Very high | 89 Ų | 89 | 81.2 Ų | 81.2 | 42% | 0.416 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 174.7 | -168.6 | -162.3 | 147.4 | 0 | 0 | 111.5 | E249 K250 V251 L255 K256 I257 | E249-E253 PolarHBondContact O-N 3.43Å; K250-E253 WeakPolarHBondContact CD-OE2 3.44Å; K250-E253 IonicContact NZ-OE1 3.72Å; K250-E253 PolarHBondContact NZ-OE1 2.84Å; K250-E253 IonicContact NZ-OE2 2.75Å; K250-E253 PolarHBondContact NZ-OE2 3.37Å; K250-E253 WeakPolarHBondContact O-CB 3.46Å; K250-E253 PolarHBondContact O-N 3.19Å; V251-E253 VanDerWaalsContact C-N 3.33Å; V251-E253 PolarHBondContact O-N 2.96Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.3Å; E253-K256 WeakPolarHBondContact O-CB 3.2Å; E253-K256 PolarHBondContact O-N 3.08Å; E253-I257 HydrophobicContact CG-CD1 4.1Å; E253-I257 WeakPolarHBondContact O-CG1 3.45Å; E253-I257 PolarHBondContact O-N 3.43Å |
| 254 | I | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.015 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.7 | -65.7 | 158.6 | 0 | 0 | 0 | 110.7 | M213 T216 I217 L220 L246 K250 V251 K256 I257 A258 | M213-I254 HydrophobicContact CE-CG1 4.02Å; T216-I254 HydrophobicContact CG2-CD1 3.66Å; T216-I254 HydrophobicContact CG2-CG1 4.38Å; T216-I254 HydrophobicContact CG2-CG2 4.5Å; I217-I254 HydrophobicContact CG1-CG2 3.7Å; L220-I254 HydrophobicContact CD1-CB 4.13Å; L220-I254 HydrophobicContact CD1-CG2 3.7Å; L246-I254 HydrophobicContact CD1-CD1 3.96Å; K250-I254 HydrophobicContact CG-CD1 4.1Å; K250-I254 WeakPolarHBondContact O-CD1 3.49Å; K250-I254 WeakPolarHBondContact O-CG1 3.29Å; K250-I254 PolarHBondContact O-N 2.94Å; V251-I254 PolarHBondContact O-N 3.17Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.34Å; I254-I257 PolarHBondContact O-N 3.03Å; I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 3.09Å |
| 255 | L | 93.7 | Very high | 92 | Very high | 57 Ų | 57 | 86.7 Ų | 86.7 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 175.9 | -75.6 | 171.1 | 0 | 0 | 0 | 111.8 | L220 P237 V251 R252 E253 A258 | L220-L255 HydrophobicContact CD1-CD2 4.31Å; L220-L255 HydrophobicContact CD1-CG 4.27Å; L220-L255 HydrophobicContact CD2-CD2 3.74Å; P237-L255 HydrophobicContact CG-CD1 4.43Å; V251-L255 HydrophobicContact CG1-CD1 4.08Å; V251-L255 HydrophobicContact CG1-CG 4.47Å; V251-L255 WeakPolarHBondContact O-CB 3.33Å; V251-L255 WeakPolarHBondContact O-CG 3.47Å; V251-L255 PolarHBondContact O-N 2.92Å; R252-L255 PolarHBondContact O-N 3.33Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.3Å; L255-A258 PolarHBondContact O-N 2.8Å |
| 256 | K | 93.9 | Very high | 92 | Very high | 154 Ų | 154 | 83.7 Ų | 83.7 | 67% | 0.67 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 175.2 | -171.1 | 178.1 | -179.3 | -179.2 | 0 | 111.8 | R252 E253 I254 A258 Q259 | R252-K256 WeakPolarHBondContact O-CB 3.4Å; R252-K256 PolarHBondContact O-N 2.79Å; E253-K256 WeakPolarHBondContact O-CB 3.2Å; E253-K256 PolarHBondContact O-N 3.08Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.34Å; K256-A258 VanDerWaalsContact C-N 3.27Å; K256-A258 PolarHBondContact O-N 3.19Å; K256-Q259 WeakPolarHBondContact O-CB 3.48Å; K256-Q259 PolarHBondContact O-N 3.3Å |
| 257 | I | 93.1 | Very high | 92 | Very high | 61 Ų | 61 | 84.5 Ų | 84.5 | 31% | 0.313 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -31.4 | 177.1 | -66.8 | 165.9 | 0 | 0 | 0 | 111.5 | I209 M213 I217 E253 I254 Q259 | I209-I257 HydrophobicContact CD1-CG2 3.89Å; I209-I257 WeakPolarHBondContact CD1-O 3.39Å; I209-I257 HydrophobicContact CG1-CG2 4.27Å; I209-I257 HydrophobicContact CG2-CG2 4.28Å; M213-I257 HydrophobicContact CE-CD1 3.86Å; I217-I257 HydrophobicContact CD1-CG2 4.32Å; E253-I257 HydrophobicContact CG-CD1 4.1Å; E253-I257 WeakPolarHBondContact O-CG1 3.45Å; E253-I257 PolarHBondContact O-N 3.43Å; I254-I257 PolarHBondContact O-N 3.03Å; I257-Q259 PolarHBondContact O-N 2.96Å |
| 258 | A | 90.4 | Very high | 91.7 | Very high | 26 Ų | 26 | 83.4 Ų | 83.4 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -10.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | I217 I254 L255 K256 | I217-A258 HydrophobicContact CD1-CB 4.05Å; I217-A258 HydrophobicContact CG1-CB 4.07Å; I217-A258 HydrophobicContact CG2-CB 3.79Å; I254-A258 WeakPolarHBondContact O-CB 3.46Å; I254-A258 PolarHBondContact O-N 3.09Å; L255-A258 PolarHBondContact O-N 2.8Å; K256-A258 VanDerWaalsContact C-N 3.27Å; K256-A258 PolarHBondContact O-N 3.19Å |
| 259 | Q | 91.8 | Very high | 91.3 | Very high | 139 Ų | 139 | 84.2 Ų | 84.2 | 65% | 0.65 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 137.5 | 178.5 | -67.2 | 179.3 | -21.6 | 0 | 0 | 110.9 | K256 I257 | K256-Q259 WeakPolarHBondContact O-CB 3.48Å; K256-Q259 PolarHBondContact O-N 3.3Å; I257-Q259 PolarHBondContact O-N 2.96Å |
| 260 | E | 88.8 | Confident | 90.8 | Very high | 143 Ų | 143 | 86.1 Ų | 86.1 | 67% | 0.668 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 134.2 | 176.6 | -77.2 | 177.2 | -176.6 | 0 | 0 | 110.4 | R205 | R205-E260 IonicContact CZ-OE1 3.08Å; R205-E260 IonicContact NH1-OE1 2.76Å; R205-E260 PolarHBondContact NH1-OE1 3.35Å |
| 261 | P | 89.6 | Confident | 90.3 | Very high | 67 Ų | 67 | 90.2 Ų | 90.2 | 44% | 0.435 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 138.8 | 176 | 27.9 | -33.1 | 0 | 0 | 0 | 109.9 | I207 | I207-P261 HydrophobicContact CD1-CB 4.44Š|
| 262 | V | 88.5 | Confident | 89.5 | Confident | 113 Ų | 113 | 95.7 Ų | 95.7 | 69% | 0.685 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -91.1 | 150.7 | 170.1 | -66.1 | 0 | 0 | 0 | 0 | 109.8 | L276 | V262-L276 HydrophobicContact CB-CD2 4.48Å; V262-L276 HydrophobicContact CG2-CD2 3.74Å |
| 263 | S | 90.4 | Very high | 89 | Confident | 64 Ų | 64 | 94.2 Ų | 94.2 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 137.7 | 177.5 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | E265 T266 | S263-E265 PolarHBondContact O-N 3.04Å; S263-E265 PolarHBondContact OG-N 2.89Å; S263-T266 VanDerWaalsContact O-CB 3.31Å; S263-T266 WeakPolarHBondContact O-CB 3.31Å; S263-T266 PolarHBondContact O-N 3.11Å; S263-T266 VanDerWaalsContact O-N 3.11Å; S263-T266 PolarHBondContact O-OG1 3.26Å |
| 264 | L | 90.9 | Very high | 88.8 | Confident | 96 Ų | 96 | 91.5 Ų | 91.5 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.3 | 168.9 | -64.5 | -177.5 | 0 | 0 | 0 | 111.6 | T266 H275 L276 G277 I280 | L264-T266 PolarHBondContact O-N 3.47Å; L264-H275 WeakPolarHBondContact O-CB 3.37Å; L264-L276 PolarHBondContact O-N 3.22Å; L264-G277 PolarHBondContact O-N 3.01Å; L264-I280 HydrophobicContact CD2-CD1 3.43Å; L264-I280 VanDerWaalsContact CD2-CD1 3.43Å |
| 265 | E | 89.6 | Confident | 88.7 | Confident | 129 Ų | 129 | 94 Ų | 94 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 11.9 | 174.5 | -53.8 | -61.7 | 147.8 | 0 | 0 | 112.7 | S263 P267 H275 | S263-E265 PolarHBondContact O-N 3.04Å; S263-E265 PolarHBondContact OG-N 2.89Å; E265-P267 VanDerWaalsContact O-CD 3.29Å; E265-P267 WeakPolarHBondContact O-CD 3.29Å; E265-H275 PolarHBondContact O-CD2 3.29Å; E265-H275 IonicContact OE2-CD2 3.7Å |
| 266 | T | 89.9 | Confident | 88.6 | Confident | 64 Ų | 64 | 93.7 Ų | 93.7 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | trans | -70 | 117.1 | 171.4 | -65.5 | 0 | 0 | 0 | 0 | 108 | S263 L264 L276 | S263-T266 VanDerWaalsContact O-CB 3.31Å; S263-T266 WeakPolarHBondContact O-CB 3.31Å; S263-T266 PolarHBondContact O-N 3.11Å; S263-T266 VanDerWaalsContact O-N 3.11Å; S263-T266 PolarHBondContact O-OG1 3.26Å; L264-T266 PolarHBondContact O-N 3.47Å; T266-L276 PolarHBondContact O-N 3.36Å | ||
| 267 | P | 90.7 | Very high | 88.4 | Confident | 66 Ų | 66 | 87.5 Ų | 87.5 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 144.5 | -179.9 | 27.4 | -34.3 | 0 | 0 | 0 | 110.2 | E265 S274 | E265-P267 VanDerWaalsContact O-CD 3.29Å; E265-P267 WeakPolarHBondContact O-CD 3.29Å; P267-S274 CarbonylContact C-O 3.4Å; P267-S274 WeakPolarHBondContact CA-O 3.43Å |
| 268 | I | 86.5 | Confident | 88.2 | Confident | 67 Ų | 67 | 89.8 Ų | 89.8 | 34% | 0.344 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.8 | 178.4 | -59.4 | -172.5 | 0 | 0 | 0 | 108.7 | S274 L276 F279 | I268-S274 PolarHBondContact N-O 2.79Å; I268-L276 VanDerWaalsContact CD1-CA 3.43Å; I268-L276 HydrophobicContact CD1-CB 3.7Å; I268-L276 HydrophobicContact CD1-CD1 3.57Å; I268-L276 HydrophobicContact CD1-CG 4.22Å; I268-L276 HydrophobicContact CG1-CB 4.26Å; I268-F279 HydrophobicContact CB-CE2 4.37Å; I268-F279 HydrophobicContact CD1-CD2 4.32Å; I268-F279 HydrophobicContact CG2-CE2 4.41Å |
| 269 | G | 86.2 | Confident | 88.2 | Confident | 62 Ų | 62 | 95.1 Ų | 95.1 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 104.1 | -173.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 270 | E | 84.4 | Confident | 88.1 | Confident | 200 Ų | 200 | 93.3 Ų | 93.3 | 94% | 0.935 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -91.9 | -24.5 | 179.3 | -67.1 | -173.6 | 172.7 | 0 | 0 | 112.9 | ||
| 271 | E | 81.8 | Confident | 88.1 | Confident | 160 Ų | 160 | 94 Ų | 94 | 75% | 0.748 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -93.5 | 4.2 | -171.8 | -62.5 | -168.5 | 172.8 | 0 | 0 | 113.9 | D273 | E271-D273 PolarHBondContact O-N 2.8Š|
| 272 | D | 75.9 | Confident | 88.2 | Confident | 116 Ų | 116 | 95.8 Ų | 95.8 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 49.9 | 20.1 | -178.4 | -75.5 | -23.9 | 0 | 0 | 0 | 114.4 | ||
| 273 | D | 86.1 | Confident | 88.2 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | trans | -95.4 | -23.7 | -175.6 | 69.7 | -21.8 | 0 | 0 | 0 | 113.3 | E271 | E271-D273 PolarHBondContact O-N 2.8Š| ||
| 274 | S | 90.1 | Very high | 88 | Confident | 33 Ų | 33 | 104.4 Ų | 104.4 | 23% | 0.231 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138.3 | -178.3 | -53 | 0 | 0 | 0 | 0 | 110 | P267 I268 | P267-S274 CarbonylContact C-O 3.4Å; P267-S274 WeakPolarHBondContact CA-O 3.43Å; I268-S274 PolarHBondContact N-O 2.79Å |
| 275 | H | 90.7 | Very high | 87.9 | Confident | 56 Ų | 56 | 102.5 Ų | 102.5 | 26% | 0.259 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 158 | 178 | -59.5 | 79.1 | 0 | 0 | 0 | 110.5 | L264 E265 G277 D278 F279 | L264-H275 WeakPolarHBondContact O-CB 3.37Å; E265-H275 PolarHBondContact O-CD2 3.29Å; E265-H275 IonicContact OE2-CD2 3.7Å; H275-G277 PolarHBondContact O-N 3.18Å; H275-D278 PolarHBondContact N-OD2 3.31Å; H275-D278 IonicContact ND1-OD2 3.02Å; H275-D278 WeakPolarHBondContact O-CB 3.4Å; H275-D278 PolarHBondContact O-N 2.9Å; H275-F279 WeakPolarHBondContact O-CD2 3.47Å |
| 276 | L | 90.8 | Very high | 87.7 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 26% | 0.257 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -52.9 | -38.3 | 175.7 | 178.1 | 62.7 | 0 | 0 | 0 | 112.3 | V262 L264 T266 I268 D278 F279 | V262-L276 HydrophobicContact CB-CD2 4.48Å; V262-L276 HydrophobicContact CG2-CD2 3.74Å; L264-L276 PolarHBondContact O-N 3.22Å; T266-L276 PolarHBondContact O-N 3.36Å; I268-L276 VanDerWaalsContact CD1-CA 3.43Å; I268-L276 HydrophobicContact CD1-CB 3.7Å; I268-L276 HydrophobicContact CD1-CD1 3.57Å; I268-L276 HydrophobicContact CD1-CG 4.22Å; I268-L276 HydrophobicContact CG1-CB 4.26Å; L276-D278 PolarHBondContact O-N 3.3Å; L276-F279 PolarHBondContact O-N 3.2Å |
| 277 | G | 90 | Very high | 87.6 | Confident | 24 Ų | 24 | 99.8 Ų | 99.8 | 25% | 0.247 | 54% | 0.537 | C | S | . | . | G | 310 helix | trans | -59 | -30.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L264 H275 F279 I280 | L264-G277 PolarHBondContact O-N 3.01Å; H275-G277 PolarHBondContact O-N 3.18Å; G277-F279 PolarHBondContact O-N 3.4Å; G277-I280 PolarHBondContact O-N 3.19Å |
| 278 | D | 89.1 | Confident | 87.6 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -69.1 | -20 | -176.3 | -59.1 | -31 | 0 | 0 | 0 | 112.7 | H275 L276 | H275-D278 PolarHBondContact N-OD2 3.31Å; H275-D278 IonicContact ND1-OD2 3.02Å; H275-D278 WeakPolarHBondContact O-CB 3.4Å; H275-D278 PolarHBondContact O-N 2.9Å; L276-D278 PolarHBondContact O-N 3.3Å |
| 279 | F | 89.9 | Confident | 87.8 | Confident | 137 Ų | 137 | 102.4 Ų | 102.4 | 60% | 0.601 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -98.3 | -2.1 | 179.7 | -61.2 | -79.9 | 0 | 0 | 0 | 113.5 | I268 H275 L276 G277 | I268-F279 HydrophobicContact CB-CE2 4.37Å; I268-F279 HydrophobicContact CD1-CD2 4.32Å; I268-F279 HydrophobicContact CG2-CE2 4.41Å; H275-F279 WeakPolarHBondContact O-CD2 3.47Å; L276-F279 PolarHBondContact O-N 3.2Å; G277-F279 PolarHBondContact O-N 3.4Å |
| 280 | I | 90 | Very high | 87.8 | Confident | 101 Ų | 101 | 104.9 Ų | 104.9 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -92.4 | 115.8 | 179 | -58.5 | -176.6 | 0 | 0 | 0 | 108.6 | L264 G277 D282 | L264-I280 HydrophobicContact CD2-CD1 3.43Å; L264-I280 VanDerWaalsContact CD2-CD1 3.43Å; G277-I280 PolarHBondContact O-N 3.19Å; I280-D282 PolarHBondContact O-N 3.44Å |
| 281 | E | 89.8 | Confident | 88.1 | Confident | 157 Ų | 157 | 100.5 Ų | 100.5 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | trans | -63.5 | 126.7 | 173.8 | -177.8 | 179.7 | -163.7 | 0 | 0 | 110.9 | Q283 | E281-Q283 PolarHBondContact O-N 3.46Š| ||
| 282 | D | 90.4 | Very high | 88.5 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | trans | -82.2 | 107 | 168.9 | -175 | -4.7 | 0 | 0 | 0 | 109.7 | I280 E284 A285 | I280-D282 PolarHBondContact O-N 3.44Å; D282-E284 VanDerWaalsContact C-N 3.28Å; D282-E284 PolarHBondContact O-N 2.96Å; D282-E284 PolarHBondContact OD1-N 3.46Å; D282-A285 HydrophobicContact CB-CB 4.07Å; D282-A285 PolarHBondContact OD1-N 2.93Å | ||
| 283 | Q | 88.6 | Confident | 89.2 | Confident | 172 Ų | 172 | 91.7 Ų | 91.7 | 80% | 0.804 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -77.7 | -11.5 | -178.7 | -62.6 | -178.3 | 3.2 | 0 | 0 | 113.5 | E281 | E281-Q283 PolarHBondContact O-N 3.46Š|
| 284 | E | 87.1 | Confident | 89.2 | Confident | 187 Ų | 187 | 89.4 Ų | 89.4 | 87% | 0.874 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -93.1 | -16.7 | 177.8 | -61.5 | -167.7 | 164.8 | 0 | 0 | 112.3 | D282 | D282-E284 VanDerWaalsContact C-N 3.28Å; D282-E284 PolarHBondContact O-N 2.96Å; D282-E284 PolarHBondContact OD1-N 3.46Å |
| 285 | A | 88.3 | Confident | 89.2 | Confident | 56 Ų | 56 | 92 Ų | 92 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -74.4 | 128.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D282 S287 | D282-A285 HydrophobicContact CB-CB 4.07Å; D282-A285 PolarHBondContact OD1-N 2.93Å; A285-S287 PolarHBondContact O-N 3.27Å |
| 286 | T | 85.3 | Confident | 89.2 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 124.9 | 169.2 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | E290 H291 | T286-E290 HydrophobicContact CG2-CB 3.62Å; T286-H291 HydrophobicContact CG2-CB 4.06Å |
| 287 | S | 88.8 | Confident | 89.2 | Confident | 44 Ų | 44 | 95.1 Ų | 95.1 | 31% | 0.308 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 149.8 | 178.5 | 67.9 | 0 | 0 | 0 | 0 | 110.3 | A285 A289 E290 H291 | A285-S287 PolarHBondContact O-N 3.27Å; S287-A289 PolarHBondContact O-N 3.03Å; S287-A289 VanDerWaalsContact O-N 3.1Å; S287-E290 PolarHBondContact N-OE2 3.39Å; S287-E290 PolarHBondContact O-N 3.1Å; S287-E290 WeakPolarHBondContact OG-CB 3.3Å; S287-E290 VanDerWaalsContact OG-CD 3.28Å; S287-E290 WeakPolarHBondContact OG-CG 3.24Å; S287-E290 PolarHBondContact OG-N 3.03Å; S287-E290 VanDerWaalsContact OG-N 3.13Å; S287-E290 PolarHBondContact OG-OE2 2.91Å; S287-H291 PolarHBondContact O-N 2.87Å |
| 288 | P | 90.4 | Very high | 89.1 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 75% | 0.747 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55 | -32.3 | 176 | -28 | 35.3 | 0 | 0 | 0 | 113.2 | A292 | P288-A292 VanDerWaalsContact O-CB 3.24Å; P288-A292 WeakPolarHBondContact O-CB 3.16Å; P288-A292 PolarHBondContact O-N 2.8Å |
| 289 | A | 89.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 100.1 Ų | 100.1 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.9 | -46.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | S287 A292 A293 | S287-A289 PolarHBondContact O-N 3.03Å; S287-A289 VanDerWaalsContact O-N 3.1Å; A289-A292 PolarHBondContact O-N 3.18Å; A289-A293 VanDerWaalsContact O-CB 3.3Å; A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 3.13Å |
| 290 | E | 87.8 | Confident | 89.1 | Confident | 114 Ų | 114 | 95.8 Ų | 95.8 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 175.5 | -73.6 | 166.4 | 157.1 | 0 | 0 | 111.9 | T286 S287 A293 S294 | T286-E290 HydrophobicContact CG2-CB 3.62Å; S287-E290 PolarHBondContact N-OE2 3.39Å; S287-E290 PolarHBondContact O-N 3.1Å; S287-E290 WeakPolarHBondContact OG-CB 3.3Å; S287-E290 VanDerWaalsContact OG-CD 3.28Å; S287-E290 WeakPolarHBondContact OG-CG 3.24Å; S287-E290 PolarHBondContact OG-N 3.03Å; S287-E290 VanDerWaalsContact OG-N 3.13Å; S287-E290 PolarHBondContact OG-OE2 2.91Å; E290-A293 PolarHBondContact O-N 3.37Å; E290-S294 WeakPolarHBondContact O-CB 3.29Å; E290-S294 PolarHBondContact O-N 2.95Å |
| 291 | H | 89.7 | Confident | 89 | Confident | 108 Ų | 108 | 93.4 Ų | 93.4 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 175.7 | -171.4 | -64.3 | 0 | 0 | 0 | 110.7 | T286 S287 S294 E295 | T286-H291 HydrophobicContact CG2-CB 4.06Å; S287-H291 PolarHBondContact O-N 2.87Å; H291-S294 PolarHBondContact O-N 3.05Å; H291-E295 WeakPolarHBondContact O-CG 3.33Å; H291-E295 PolarHBondContact O-N 2.83Å |
| 292 | A | 91.2 | Very high | 89 | Confident | 47 Ų | 47 | 90.5 Ų | 90.5 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P288 A289 S294 E295 M296 | P288-A292 VanDerWaalsContact O-CB 3.24Å; P288-A292 WeakPolarHBondContact O-CB 3.16Å; P288-A292 PolarHBondContact O-N 2.8Å; A289-A292 PolarHBondContact O-N 3.18Å; A292-S294 VanDerWaalsContact C-N 3.34Å; A292-S294 PolarHBondContact O-N 2.84Å; A292-E295 PolarHBondContact O-N 3.2Å; A292-M296 WeakPolarHBondContact O-CB 3.08Å; A292-M296 VanDerWaalsContact O-CG 3.22Å; A292-M296 WeakPolarHBondContact O-CG 3.32Å; A292-M296 PolarHBondContact O-N 2.9Å |
| 293 | A | 89.1 | Confident | 88.9 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 36% | 0.355 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A289 E290 L297 F367 | A289-A293 VanDerWaalsContact O-CB 3.3Å; A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 3.13Å; E290-A293 PolarHBondContact O-N 3.37Å; A293-L297 WeakPolarHBondContact O-CB 3.25Å; A293-L297 PolarHBondContact O-N 3.17Å; A293-F367 WeakPolarHBondContact O-CE1 3.48Å |
| 294 | S | 87.8 | Confident | 89 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | E290 H291 A292 L297 K298 | E290-S294 WeakPolarHBondContact O-CB 3.29Å; E290-S294 PolarHBondContact O-N 2.95Å; H291-S294 PolarHBondContact O-N 3.05Å; A292-S294 VanDerWaalsContact C-N 3.34Å; A292-S294 PolarHBondContact O-N 2.84Å; S294-L297 PolarHBondContact O-N 2.97Å; S294-K298 WeakPolarHBondContact O-CG 3.42Å; S294-K298 PolarHBondContact O-N 3.31Å |
| 295 | E | 90.3 | Very high | 89.1 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 176.9 | -72.8 | -60.3 | 117.2 | 0 | 0 | 111.7 | H291 A292 L297 K298 E299 | H291-E295 WeakPolarHBondContact O-CG 3.33Å; H291-E295 PolarHBondContact O-N 2.83Å; A292-E295 PolarHBondContact O-N 3.2Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.15Å; E295-K298 WeakPolarHBondContact O-CB 3.47Å; E295-K298 PolarHBondContact O-N 3.11Å; E295-K298 IonicContact OE1-NZ 3.9Å; E295-K298 PolarHBondContact OE1-NZ 3.32Å; E295-E299 PolarHBondContact O-N 3.34Å |
| 296 | M | 90.6 | Very high | 89.2 | Confident | 106 Ų | 106 | 74.6 Ų | 74.6 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 173.1 | -72 | 178.5 | 69.7 | 0 | 0 | 112 | A292 E299 Q300 F367 | A292-M296 WeakPolarHBondContact O-CB 3.08Å; A292-M296 VanDerWaalsContact O-CG 3.22Å; A292-M296 WeakPolarHBondContact O-CG 3.32Å; A292-M296 PolarHBondContact O-N 2.9Å; M296-E299 PolarHBondContact O-N 3.29Å; M296-Q300 WeakPolarHBondContact O-CB 3.41Å; M296-Q300 WeakPolarHBondContact O-CG 3.35Å; M296-Q300 PolarHBondContact O-N 3.26Å; M296-F367 HydrophobicContact CB-CE1 3.71Å; M296-F367 HydrophobicContact CB-CZ 3.88Å |
| 297 | L | 89.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.4 | 175.4 | 59.1 | 0 | 0 | 0 | 111.2 | A293 S294 E295 L301 L364 F367 | A293-L297 WeakPolarHBondContact O-CB 3.25Å; A293-L297 PolarHBondContact O-N 3.17Å; S294-L297 PolarHBondContact O-N 2.97Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.15Å; L297-L301 WeakPolarHBondContact O-CB 3.3Å; L297-L301 PolarHBondContact O-N 2.83Å; L297-L364 HydrophobicContact CD1-CD2 3.96Å; L297-F367 HydrophobicContact CB-CD1 3.77Å; L297-F367 HydrophobicContact CB-CE1 4.06Å; L297-F367 HydrophobicContact CB-CG 4.12Å; L297-F367 HydrophobicContact CD1-CB 3.77Å; L297-F367 HydrophobicContact CD1-CD1 4.34Å; L297-F367 HydrophobicContact CD1-CD2 4Å; L297-F367 HydrophobicContact CD1-CG 3.79Å; L297-F367 HydrophobicContact CD2-CB 4.41Å; L297-F367 HydrophobicContact CG-CB 4.46Å; L297-F367 HydrophobicContact CG-CG 4.44Å |
| 298 | K | 88.1 | Confident | 89.4 | Confident | 117 Ų | 117 | 71.6 Ų | 71.6 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 175.7 | -74.7 | 175.5 | -171.9 | 165.9 | 0 | 111.6 | S294 E295 L301 E302 | S294-K298 WeakPolarHBondContact O-CG 3.42Å; S294-K298 PolarHBondContact O-N 3.31Å; E295-K298 WeakPolarHBondContact O-CB 3.47Å; E295-K298 PolarHBondContact O-N 3.11Å; E295-K298 IonicContact OE1-NZ 3.9Å; E295-K298 PolarHBondContact OE1-NZ 3.32Å; K298-L301 WeakPolarHBondContact O-CB 3.28Å; K298-L301 PolarHBondContact O-N 3.34Å; K298-E302 PolarHBondContact O-N 2.97Å |
| 299 | E | 89.9 | Confident | 89.5 | Confident | 121 Ų | 121 | 69.5 Ų | 69.5 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61 | -49.1 | 178.1 | -173.4 | 179.7 | -169.9 | 0 | 0 | 111.2 | E295 M296 L301 E302 D303 | E295-E299 PolarHBondContact O-N 3.34Å; M296-E299 PolarHBondContact O-N 3.29Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 2.86Å; E299-E302 PolarHBondContact O-N 2.8Å; E299-E302 VanDerWaalsContact O-N 3.17Å; E299-D303 PolarHBondContact O-N 2.91Å |
| 300 | Q | 88.7 | Confident | 89.6 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.4 | -34 | 176.5 | -71.3 | -62.1 | -52.5 | 0 | 0 | 112.6 | M296 V304 L364 F367 | M296-Q300 WeakPolarHBondContact O-CB 3.41Å; M296-Q300 WeakPolarHBondContact O-CG 3.35Å; M296-Q300 PolarHBondContact O-N 3.26Å; Q300-V304 WeakPolarHBondContact O-CB 3.38Å; Q300-V304 WeakPolarHBondContact O-CG2 3.41Å; Q300-V304 PolarHBondContact O-N 3.2Å; Q300-L364 HydrophobicContact CB-CD2 4.03Å; Q300-F367 HydrophobicContact CB-CE2 4.21Å; Q300-F367 HydrophobicContact CG-CE2 3.93Å; Q300-F367 HydrophobicContact CG-CZ 4.1Å |
| 301 | L | 88.4 | Confident | 89.8 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.8 | -177.4 | 65.6 | 0 | 0 | 0 | 110.8 | L297 K298 E299 V304 L305 L322 L364 | L297-L301 WeakPolarHBondContact O-CB 3.3Å; L297-L301 PolarHBondContact O-N 2.83Å; K298-L301 WeakPolarHBondContact O-CB 3.28Å; K298-L301 PolarHBondContact O-N 3.34Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 2.86Å; L301-V304 PolarHBondContact O-N 3.31Å; L301-L305 HydrophobicContact CD1-CD1 4.46Å; L301-L305 HydrophobicContact CD1-CG 4.43Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 HydrophobicContact CG-CG 4.41Å; L301-L305 VanDerWaalsContact O-CB 3.3Å; L301-L305 WeakPolarHBondContact O-CB 3.22Å; L301-L305 WeakPolarHBondContact O-CG 3.35Å; L301-L305 PolarHBondContact O-N 2.95Å; L301-L322 HydrophobicContact CD2-CD1 4.11Å; L301-L322 HydrophobicContact CD2-CD2 4Å; L301-L364 HydrophobicContact CB-CD2 4.47Å; L301-L364 HydrophobicContact CD1-CD1 4.23Å |
| 302 | E | 89.5 | Confident | 90 | Very high | 95 Ų | 95 | 67 Ų | 67 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 175.9 | -173.2 | 154 | -136.8 | 0 | 0 | 111.2 | K298 E299 V304 L305 D306 R317 | K298-E302 PolarHBondContact O-N 2.97Å; E299-E302 PolarHBondContact O-N 2.8Å; E299-E302 VanDerWaalsContact O-N 3.17Å; E302-V304 VanDerWaalsContact C-N 3.25Å; E302-V304 PolarHBondContact O-N 3.45Å; E302-L305 WeakPolarHBondContact O-CB 3.49Å; E302-L305 PolarHBondContact O-N 3.34Å; E302-D306 PolarHBondContact O-N 3.41Å; E302-R317 IonicContact OE1-CZ 3.8Å; E302-R317 IonicContact OE1-NH1 3.59Å; E302-R317 IonicContact OE1-NH2 2.96Å; E302-R317 PolarHBondContact OE1-NH2 3.13Å; E302-R317 VanDerWaalsContact OE1-NH2 3.15Å |
| 303 | D | 89.4 | Confident | 90.1 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53.5 | -42.8 | 174.7 | -80.1 | -17.3 | 0 | 0 | 0 | 112.3 | E299 T307 | E299-D303 PolarHBondContact O-N 2.91Å; D303-T307 WeakPolarHBondContact O-CG2 3.49Å |
| 304 | V | 88.8 | Confident | 90.2 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.4 | -35.9 | -179.8 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | Q300 L301 E302 T307 L355 R360 Q363 L364 | Q300-V304 WeakPolarHBondContact O-CB 3.38Å; Q300-V304 WeakPolarHBondContact O-CG2 3.41Å; Q300-V304 PolarHBondContact O-N 3.2Å; L301-V304 PolarHBondContact O-N 3.31Å; E302-V304 VanDerWaalsContact C-N 3.25Å; E302-V304 PolarHBondContact O-N 3.45Å; V304-T307 PolarHBondContact O-N 3.41Å; V304-T307 PolarHBondContact O-OG1 3.01Å; V304-L355 HydrophobicContact CG1-CD2 3.32Å; V304-R360 HydrophobicContact CG1-CB 4.28Å; V304-Q363 HydrophobicContact CG2-CB 4.5Å; V304-L364 HydrophobicContact CB-CD1 4.32Å; V304-L364 HydrophobicContact CG1-CD1 4.05Å; V304-L364 HydrophobicContact CG2-CD1 4.26Å; V304-L364 HydrophobicContact CG2-CG 4.23Å |
| 305 | L | 89.2 | Confident | 90.5 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 176.6 | -78.6 | 176.3 | 0 | 0 | 0 | 112 | L301 E302 T307 L308 E313 L316 R317 L322 | L301-L305 HydrophobicContact CD1-CD1 4.46Å; L301-L305 HydrophobicContact CD1-CG 4.43Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 HydrophobicContact CG-CG 4.41Å; L301-L305 VanDerWaalsContact O-CB 3.3Å; L301-L305 WeakPolarHBondContact O-CB 3.22Å; L301-L305 WeakPolarHBondContact O-CG 3.35Å; L301-L305 PolarHBondContact O-N 2.95Å; E302-L305 WeakPolarHBondContact O-CB 3.49Å; E302-L305 PolarHBondContact O-N 3.34Å; L305-T307 PolarHBondContact O-N 2.83Å; L305-T307 VanDerWaalsContact O-N 3.12Å; L305-L308 HydrophobicContact CD2-CD1 3.9Å; L305-L308 VanDerWaalsContact O-CB 3.23Å; L305-L308 WeakPolarHBondContact O-CB 3.5Å; L305-L308 PolarHBondContact O-N 3.2Å; L305-E313 HydrophobicContact CB-CG 4.16Å; L305-L316 HydrophobicContact CD2-CB 4.4Å; L305-L316 HydrophobicContact CD2-CD1 3.96Å; L305-R317 HydrophobicContact CD1-CG 4.43Å; L305-L322 HydrophobicContact CD1-CD1 3.57Å |
| 306 | D | 90.4 | Very high | 90.6 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -20.3 | 175.1 | -79.5 | 2.9 | 0 | 0 | 0 | 113 | E302 L308 | E302-D306 PolarHBondContact O-N 3.41Å; D306-L308 PolarHBondContact O-N 3Å |
| 307 | T | 89.3 | Confident | 90.7 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.4 | 173 | 75.5 | 0 | 0 | 0 | 0 | 114.2 | D303 V304 L305 R360 | D303-T307 WeakPolarHBondContact O-CG2 3.49Å; V304-T307 PolarHBondContact O-N 3.41Å; V304-T307 PolarHBondContact O-OG1 3.01Å; L305-T307 PolarHBondContact O-N 2.83Å; L305-T307 VanDerWaalsContact O-N 3.12Å; T307-R360 PolarHBondContact O-NH1 2.97Å; T307-R360 PolarHBondContact O-NH2 3.43Å; T307-R360 PolarHBondContact OG1-NE 2.91Å; T307-R360 PolarHBondContact OG1-NH1 3.19Å |
| 308 | L | 90.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -88.4 | 166.4 | 172.7 | -63 | 172.6 | 0 | 0 | 0 | 109.8 | L305 D306 E312 E313 L316 A351 K354 L355 R360 | L305-L308 HydrophobicContact CD2-CD1 3.9Å; L305-L308 VanDerWaalsContact O-CB 3.23Å; L305-L308 WeakPolarHBondContact O-CB 3.5Å; L305-L308 PolarHBondContact O-N 3.2Å; D306-L308 PolarHBondContact O-N 3Å; L308-E312 HydrophobicContact CB-CB 4Å; L308-E312 HydrophobicContact CD1-CB 4.5Å; L308-E313 HydrophobicContact CB-CB 4.43Å; L308-L316 HydrophobicContact CD1-CD1 3.58Å; L308-A351 HydrophobicContact CD1-CB 4.28Å; L308-A351 HydrophobicContact CD2-CB 4.39Å; L308-K354 HydrophobicContact CD2-CB 3.96Å; L308-K354 HydrophobicContact CD2-CD 3.82Å; L308-L355 HydrophobicContact CD1-CD1 4.18Å; L308-L355 HydrophobicContact CD1-CD2 4.1Å; L308-L355 HydrophobicContact CD1-CG 4.19Å; L308-L355 HydrophobicContact CD2-CD2 4.36Å; L308-L355 HydrophobicContact CD2-CG 4.4Å; L308-L355 HydrophobicContact CG-CD2 4.3Å; L308-R360 VanDerWaalsContact CD2-NH1 3.34Å |
| 309 | T | 92.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | trans | -71.9 | 147.8 | 169.6 | 60.1 | 0 | 0 | 0 | 0 | 109.2 | R311 E312 E313 | T309-R311 PolarHBondContact O-N 2.75Å; T309-E312 PolarHBondContact N-OE2 3Å; T309-E312 WeakPolarHBondContact O-CA 3.41Å; T309-E312 WeakPolarHBondContact O-CB 3.21Å; T309-E312 PolarHBondContact O-N 3.2Å; T309-E312 WeakPolarHBondContact OG1-CB 3.14Å; T309-E312 VanDerWaalsContact OG1-CD 3.23Å; T309-E312 VanDerWaalsContact OG1-CG 3.23Å; T309-E312 WeakPolarHBondContact OG1-CG 3.28Å; T309-E312 PolarHBondContact OG1-N 3.35Å; T309-E312 PolarHBondContact OG1-OE2 2.84Å; T309-E313 PolarHBondContact O-N 3.43Å | ||
| 310 | D | 91.5 | Very high | 91 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 65% | 0.652 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -46.2 | -37.1 | -179 | -47.2 | -4.3 | 0 | 0 | 0 | 112.9 | N314 | D310-N314 WeakPolarHBondContact O-CB 3.26Å; D310-N314 PolarHBondContact O-N 2.98Å; D310-N314 PolarHBondContact O-ND2 2.87Å |
| 311 | R | 91.2 | Very high | 91 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -73 | -36.3 | 179.3 | -165.4 | 173.8 | -170.8 | 156.3 | 9 | 113.6 | T309 V315 F337 I347 | T309-R311 PolarHBondContact O-N 2.75Å; R311-V315 WeakPolarHBondContact O-CB 3.46Å; R311-V315 WeakPolarHBondContact O-CG2 3.44Å; R311-V315 PolarHBondContact O-N 3.18Å; R311-F337 HydrophobicContact CG-CD1 4.44Å; R311-F337 HydrophobicContact CG-CE1 4.26Å; R311-I347 HydrophobicContact CG-CD1 4.47Å |
| 312 | E | 93.3 | Very high | 91 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.2 | -45.4 | 175.7 | -76 | 168.1 | 174.3 | 0 | 0 | 110.3 | L308 T309 V315 L316 I347 K350 A351 K354 | L308-E312 HydrophobicContact CB-CB 4Å; L308-E312 HydrophobicContact CD1-CB 4.5Å; T309-E312 PolarHBondContact N-OE2 3Å; T309-E312 WeakPolarHBondContact O-CA 3.41Å; T309-E312 WeakPolarHBondContact O-CB 3.21Å; T309-E312 PolarHBondContact O-N 3.2Å; T309-E312 WeakPolarHBondContact OG1-CB 3.14Å; T309-E312 VanDerWaalsContact OG1-CD 3.23Å; T309-E312 VanDerWaalsContact OG1-CG 3.23Å; T309-E312 WeakPolarHBondContact OG1-CG 3.28Å; T309-E312 PolarHBondContact OG1-N 3.35Å; T309-E312 PolarHBondContact OG1-OE2 2.84Å; E312-V315 PolarHBondContact O-N 3.41Å; E312-L316 WeakPolarHBondContact O-CG 3.4Å; E312-L316 PolarHBondContact O-N 2.93Å; E312-L316 VanDerWaalsContact O-N 3.15Å; E312-I347 HydrophobicContact CB-CG2 4.37Å; E312-I347 HydrophobicContact CG-CG2 3.86Å; E312-K350 WeakPolarHBondContact OE1-CE 3.34Å; E312-K350 IonicContact OE1-NZ 3.87Å; E312-A351 HydrophobicContact CB-CB 3.92Å; E312-A351 HydrophobicContact CG-CB 4.11Å; E312-K354 IonicContact OE1-NZ 2.78Å; E312-K354 PolarHBondContact OE1-NZ 3.21Å; E312-K354 IonicContact OE2-NZ 3.11Å; E312-K354 PolarHBondContact OE2-NZ 3.33Å |
| 313 | E | 93 | Very high | 90.8 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.2 | -57.7 | 176.6 | 177.4 | -170.3 | 173.3 | 0 | 0 | 111.9 | L305 L308 T309 V315 L316 R317 | L305-E313 HydrophobicContact CB-CG 4.16Å; L308-E313 HydrophobicContact CB-CB 4.43Å; T309-E313 PolarHBondContact O-N 3.43Å; E313-V315 PolarHBondContact O-N 3.4Å; E313-L316 WeakPolarHBondContact O-CA 3.34Å; E313-L316 PolarHBondContact O-N 3.49Å; E313-R317 HydrophobicContact CG-CG 4.35Å; E313-R317 PolarHBondContact O-N 3.15Å; E313-R317 IonicContact OE1-CZ 2.77Å; E313-R317 IonicContact OE1-NE 3.77Å; E313-R317 PolarHBondContact OE1-NE 2.92Å; E313-R317 IonicContact OE1-NH2 3.75Å; E313-R317 PolarHBondContact OE1-NH2 2.89Å |
| 314 | N | 91.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -31.9 | -176.9 | -76.9 | -60.7 | 0 | 0 | 0 | 112.4 | D310 L318 F337 | D310-N314 WeakPolarHBondContact O-CB 3.26Å; D310-N314 PolarHBondContact O-N 2.98Å; D310-N314 PolarHBondContact O-ND2 2.87Å; N314-L318 WeakPolarHBondContact O-CB 3.04Å; N314-L318 WeakPolarHBondContact O-CG 3.47Å; N314-L318 PolarHBondContact O-N 2.85Å; N314-L318 VanDerWaalsContact O-N 3.13Å; N314-F337 HydrophobicContact CB-CE1 4.29Å; N314-F337 HydrophobicContact CB-CZ 3.63Å |
| 315 | V | 93.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 172.3 | 164.5 | 0 | 0 | 0 | 0 | 110.7 | R311 E312 E313 R319 V333 F337 I344 I347 | R311-V315 WeakPolarHBondContact O-CB 3.46Å; R311-V315 WeakPolarHBondContact O-CG2 3.44Å; R311-V315 PolarHBondContact O-N 3.18Å; E312-V315 PolarHBondContact O-N 3.41Å; E313-V315 PolarHBondContact O-N 3.4Å; V315-R319 WeakPolarHBondContact O-CB 3.47Å; V315-R319 PolarHBondContact O-N 3.07Å; V315-V333 HydrophobicContact CG1-CG1 4.4Å; V315-V333 HydrophobicContact CG2-CG1 4.27Å; V315-F337 HydrophobicContact CB-CE2 4.36Å; V315-F337 HydrophobicContact CG2-CD2 3.89Å; V315-F337 HydrophobicContact CG2-CE1 4.39Å; V315-F337 HydrophobicContact CG2-CE2 3.43Å; V315-F337 VanDerWaalsContact CG2-CE2 3.43Å; V315-F337 HydrophobicContact CG2-CZ 3.72Å; V315-I344 HydrophobicContact CG1-CG2 3.91Å; V315-I344 HydrophobicContact CG2-CD1 4.05Å; V315-I347 HydrophobicContact CB-CG2 4.16Å; V315-I347 HydrophobicContact CG1-CG2 4.24Å; V315-I347 HydrophobicContact CG2-CG2 4.07Å |
| 316 | L | 92.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.8 | -44.4 | 178.2 | -64.1 | 178.9 | 0 | 0 | 0 | 112.1 | L305 L308 E312 E313 L318 R319 F320 E348 A351 L352 L355 | L305-L316 HydrophobicContact CD2-CB 4.4Å; L305-L316 HydrophobicContact CD2-CD1 3.96Å; L308-L316 HydrophobicContact CD1-CD1 3.58Å; E312-L316 WeakPolarHBondContact O-CG 3.4Å; E312-L316 PolarHBondContact O-N 2.93Å; E312-L316 VanDerWaalsContact O-N 3.15Å; E313-L316 WeakPolarHBondContact O-CA 3.34Å; E313-L316 PolarHBondContact O-N 3.49Å; L316-L318 PolarHBondContact O-N 2.82Å; L316-R319 PolarHBondContact O-N 3.16Å; L316-F320 HydrophobicContact CB-CD2 4.37Å; L316-F320 HydrophobicContact CD2-CD2 4.22Å; L316-F320 HydrophobicContact CD2-CE2 3.75Å; L316-F320 WeakPolarHBondContact O-CD2 3.47Å; L316-F320 PolarHBondContact O-N 3.28Å; L316-E348 HydrophobicContact CD2-CG 4.18Å; L316-A351 HydrophobicContact CD1-CB 3.8Å; L316-A351 HydrophobicContact CD2-CB 4.3Å; L316-A351 HydrophobicContact CG-CB 4.15Å; L316-L352 HydrophobicContact CD2-CD2 4.43Å; L316-L352 HydrophobicContact CD2-CG 4.47Å; L316-L355 HydrophobicContact CD1-CD1 3.65Å |
| 317 | R | 92.4 | Very high | 90.7 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.4 | -49.5 | 176.8 | -72.1 | -172.2 | -176 | -128.8 | 5.4 | 111.3 | E302 L305 E313 G321 L322 D323 | E302-R317 IonicContact OE1-CZ 3.8Å; E302-R317 IonicContact OE1-NH1 3.59Å; E302-R317 IonicContact OE1-NH2 2.96Å; E302-R317 PolarHBondContact OE1-NH2 3.13Å; E302-R317 VanDerWaalsContact OE1-NH2 3.15Å; L305-R317 HydrophobicContact CD1-CG 4.43Å; E313-R317 HydrophobicContact CG-CG 4.35Å; E313-R317 PolarHBondContact O-N 3.15Å; E313-R317 IonicContact OE1-CZ 2.77Å; E313-R317 IonicContact OE1-NE 3.77Å; E313-R317 PolarHBondContact OE1-NE 2.92Å; E313-R317 IonicContact OE1-NH2 3.75Å; E313-R317 PolarHBondContact OE1-NH2 2.89Å; R317-G321 CarbonylContact O-C 3.31Å; R317-G321 VanDerWaalsContact O-CA 3.32Å; R317-G321 WeakPolarHBondContact O-CA 3.48Å; R317-G321 PolarHBondContact O-N 3.07Å; R317-L322 HydrophobicContact CG-CB 4.47Å; R317-L322 HydrophobicContact CG-CD1 4.29Å; R317-L322 PolarHBondContact O-N 3.17Å; R317-D323 IonicContact NH1-OD1 2.75Å; R317-D323 PolarHBondContact NH1-OD1 2.96Å; R317-D323 VanDerWaalsContact NH1-OD1 3.08Å |
| 318 | L | 91.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 177.1 | -71.9 | 172.6 | 0 | 0 | 0 | 113.5 | N314 L316 R328 V333 V336 F337 | N314-L318 WeakPolarHBondContact O-CB 3.04Å; N314-L318 WeakPolarHBondContact O-CG 3.47Å; N314-L318 PolarHBondContact O-N 2.85Å; N314-L318 VanDerWaalsContact O-N 3.13Å; L316-L318 PolarHBondContact O-N 2.82Å; L318-R328 WeakPolarHBondContact O-CB 3.41Å; L318-R328 WeakPolarHBondContact O-CG 3.46Å; L318-R328 PolarHBondContact O-N 3.39Å; L318-V333 HydrophobicContact CB-CG2 4.15Å; L318-V336 HydrophobicContact CD1-CG1 4.04Å; L318-F337 HydrophobicContact CD1-CE2 3.92Å; L318-F337 HydrophobicContact CD1-CZ 4.48Å |
| 319 | R | 91.3 | Very high | 91 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.3 | -43.9 | -177.2 | 176.3 | 63.5 | -171.2 | 88.9 | 2.7 | 111.8 | V315 L316 T327 R328 E348 | V315-R319 WeakPolarHBondContact O-CB 3.47Å; V315-R319 PolarHBondContact O-N 3.07Å; L316-R319 PolarHBondContact O-N 3.16Å; R319-T327 WeakPolarHBondContact O-CA 3.33Å; R319-R328 VanDerWaalsContact CD-O 3.29Å; R319-R328 WeakPolarHBondContact CD-O 3.29Å; R319-R328 PolarHBondContact NH1-O 3.29Å; R319-R328 VanDerWaalsContact NH1-O 3.11Å; R319-R328 PolarHBondContact O-N 3.03Å; R319-E348 IonicContact NE-OE1 2.82Å |
| 320 | F | 91.9 | Very high | 91 | Very high | 90 Ų | 90 | 66.4 Ų | 66.4 | 40% | 0.395 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -95.5 | -5.6 | -178.2 | -66.4 | -72.3 | 0 | 0 | 0 | 113.3 | L316 L322 | L316-F320 HydrophobicContact CB-CD2 4.37Å; L316-F320 HydrophobicContact CD2-CD2 4.22Å; L316-F320 HydrophobicContact CD2-CE2 3.75Å; L316-F320 WeakPolarHBondContact O-CD2 3.47Å; L316-F320 PolarHBondContact O-N 3.28Å; F320-L322 HydrophobicContact CB-CD2 4.14Å; F320-L322 HydrophobicContact CB-CG 4.19Å |
| 321 | G | 89.6 | Confident | 91 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 41.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R317 D323 G325 R326 | R317-G321 CarbonylContact O-C 3.31Å; R317-G321 VanDerWaalsContact O-CA 3.32Å; R317-G321 WeakPolarHBondContact O-CA 3.48Å; R317-G321 PolarHBondContact O-N 3.07Å; G321-D323 VanDerWaalsContact C-N 3.29Å; G321-D323 PolarHBondContact O-N 3.4Å; G321-G325 WeakPolarHBondContact O-CA 3.48Å; G321-G325 PolarHBondContact O-N 3.42Å; G321-R326 VanDerWaalsContact CA-O 3.25Å; G321-R326 WeakPolarHBondContact CA-O 3.36Å |
| 322 | L | 86.9 | Confident | 91.1 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -29.7 | -175 | -61.5 | 179.7 | 0 | 0 | 0 | 112.7 | L301 L305 R317 F320 | L301-L322 HydrophobicContact CD2-CD1 4.11Å; L301-L322 HydrophobicContact CD2-CD2 4Å; L305-L322 HydrophobicContact CD1-CD1 3.57Å; R317-L322 HydrophobicContact CG-CB 4.47Å; R317-L322 HydrophobicContact CG-CD1 4.29Å; R317-L322 PolarHBondContact O-N 3.17Å; F320-L322 HydrophobicContact CB-CD2 4.14Å; F320-L322 HydrophobicContact CB-CG 4.19Å |
| 323 | D | 85.4 | Confident | 91.1 | Very high | 109 Ų | 109 | 64 Ų | 64 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -38.7 | -179.6 | -52 | -46.2 | 0 | 0 | 0 | 112.7 | R317 G321 | R317-D323 IonicContact NH1-OD1 2.75Å; R317-D323 PolarHBondContact NH1-OD1 2.96Å; R317-D323 VanDerWaalsContact NH1-OD1 3.08Å; G321-D323 VanDerWaalsContact C-N 3.29Å; G321-D323 PolarHBondContact O-N 3.4Å |
| 324 | D | 87.1 | Confident | 91 | Very high | 73 Ų | 73 | 63 Ų | 63 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 1 | -172.7 | 69.1 | -3.2 | 0 | 0 | 0 | 114.5 | R326 R328 | D324-R326 PolarHBondContact O-N 3.15Å; D324-R326 PolarHBondContact OD1-N 3.31Å; D324-R328 IonicContact OD2-NH2 2.66Å; D324-R328 PolarHBondContact OD2-NH2 3.21Å |
| 325 | G | 86.9 | Confident | 91 | Very high | 66 Ų | 66 | 68.3 Ų | 68.3 | 68% | 0.68 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 70.3 | 1.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G321 | G321-G325 WeakPolarHBondContact O-CA 3.48Å; G321-G325 PolarHBondContact O-N 3.42Å |
| 326 | R | 88.6 | Confident | 90.8 | Very high | 189 Ų | 189 | 72.5 Ų | 72.5 | 71% | 0.713 | 36% | 0.362 | S | S | * | . | trans | -105 | 111.3 | -174.5 | -66 | -176.8 | 178.1 | -172.1 | 0.6 | 111.1 | G321 D324 R328 | G321-R326 VanDerWaalsContact CA-O 3.25Å; G321-R326 WeakPolarHBondContact CA-O 3.36Å; D324-R326 PolarHBondContact O-N 3.15Å; D324-R326 PolarHBondContact OD1-N 3.31Å; R326-R328 PolarHBondContact O-N 2.99Å | ||
| 327 | T | 93 | Very high | 90.8 | Very high | 99 Ų | 99 | 74.7 Ų | 74.7 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 127.7 | 172.1 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | R319 | R319-T327 WeakPolarHBondContact O-CA 3.33Š|
| 328 | R | 91.5 | Very high | 90.7 | Very high | 81 Ų | 81 | 76 Ų | 76 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -102 | 151.6 | 175.1 | -59.8 | -173.6 | -173.3 | -160.3 | 2.2 | 111.6 | L318 R319 D324 R326 E332 V333 | L318-R328 WeakPolarHBondContact O-CB 3.41Å; L318-R328 WeakPolarHBondContact O-CG 3.46Å; L318-R328 PolarHBondContact O-N 3.39Å; R319-R328 VanDerWaalsContact CD-O 3.29Å; R319-R328 WeakPolarHBondContact CD-O 3.29Å; R319-R328 PolarHBondContact NH1-O 3.29Å; R319-R328 VanDerWaalsContact NH1-O 3.11Å; R319-R328 PolarHBondContact O-N 3.03Å; D324-R328 IonicContact OD2-NH2 2.66Å; D324-R328 PolarHBondContact OD2-NH2 3.21Å; R326-R328 PolarHBondContact O-N 2.99Å; R328-E332 WeakPolarHBondContact CA-OE2 3.47Å; R328-E332 HydrophobicContact CB-CB 4.28Å; R328-V333 HydrophobicContact CB-CG2 3.77Å |
| 329 | T | 95.1 | Very high | 90.8 | Very high | 73 Ų | 73 | 76.1 Ų | 76.1 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 159.5 | 175.7 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | E331 E332 V333 | T329-E331 PolarHBondContact O-N 3.18Å; T329-E331 VanDerWaalsContact O-N 3.17Å; T329-E332 PolarHBondContact N-OE2 3.35Å; T329-E332 PolarHBondContact O-N 3.32Å; T329-E332 VanDerWaalsContact O-N 3.15Å; T329-E332 VanDerWaalsContact OG1-CG 3.28Å; T329-E332 WeakPolarHBondContact OG1-CG 3.5Å; T329-E332 PolarHBondContact OG1-N 3.14Å; T329-E332 PolarHBondContact OG1-OE2 3.48Å; T329-V333 WeakPolarHBondContact O-CG2 3.39Å; T329-V333 PolarHBondContact O-N 2.95Å |
| 330 | L | 92.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 77.7 Ų | 77.7 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.7 | -30.9 | 176.6 | -62 | 174.6 | 0 | 0 | 0 | 112.9 | G334 R341 I344 R345 E348 | L330-G334 PolarHBondContact O-N 2.97Å; L330-R341 HydrophobicContact CB-CB 4.47Å; L330-I344 HydrophobicContact CD2-CG2 3.74Å; L330-R345 HydrophobicContact CD1-CB 4.2Å; L330-R345 HydrophobicContact CD1-CG 4.47Å; L330-E348 VanDerWaalsContact CD2-OE2 3.3Å; L330-E348 WeakPolarHBondContact CD2-OE2 3.4Å |
| 331 | E | 92.1 | Very high | 91 | Very high | 100 Ų | 100 | 81.5 Ų | 81.5 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -73.9 | -43.3 | 177.9 | -165.2 | 179.5 | 151.2 | 0 | 0 | 111.5 | T329 G334 R335 | T329-E331 PolarHBondContact O-N 3.18Å; T329-E331 VanDerWaalsContact O-N 3.17Å; E331-G334 PolarHBondContact O-N 3.41Å; E331-R335 WeakPolarHBondContact O-CG 3.24Å; E331-R335 PolarHBondContact O-N 2.93Å; E331-R335 IonicContact OE1-CZ 3.35Å; E331-R335 IonicContact OE1-NE 2.75Å; E331-R335 IonicContact OE1-NH2 3.65Å; E331-R335 PolarHBondContact OE1-NH2 2.9Å |
| 332 | E | 92.8 | Very high | 91.1 | Very high | 92 Ų | 92 | 85.3 Ų | 85.3 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 175.6 | -72.4 | 167 | 163 | 0 | 0 | 111.7 | R328 T329 G334 R335 V336 | R328-E332 WeakPolarHBondContact CA-OE2 3.47Å; R328-E332 HydrophobicContact CB-CB 4.28Å; T329-E332 PolarHBondContact N-OE2 3.35Å; T329-E332 PolarHBondContact O-N 3.32Å; T329-E332 VanDerWaalsContact O-N 3.15Å; T329-E332 VanDerWaalsContact OG1-CG 3.28Å; T329-E332 WeakPolarHBondContact OG1-CG 3.5Å; T329-E332 PolarHBondContact OG1-N 3.14Å; T329-E332 PolarHBondContact OG1-OE2 3.48Å; E332-G334 VanDerWaalsContact C-N 3.27Å; E332-G334 PolarHBondContact O-N 2.94Å; E332-R335 WeakPolarHBondContact O-CB 3.36Å; E332-R335 PolarHBondContact O-N 3.44Å; E332-V336 WeakPolarHBondContact O-CG2 3.19Å; E332-V336 PolarHBondContact O-N 3.28Å; E332-V336 VanDerWaalsContact O-N 3.15Å |
| 333 | V | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | V315 L318 R328 T329 R335 V336 F337 I344 | V315-V333 HydrophobicContact CG1-CG1 4.4Å; V315-V333 HydrophobicContact CG2-CG1 4.27Å; L318-V333 HydrophobicContact CB-CG2 4.15Å; R328-V333 HydrophobicContact CB-CG2 3.77Å; T329-V333 WeakPolarHBondContact O-CG2 3.39Å; T329-V333 PolarHBondContact O-N 2.95Å; V333-R335 VanDerWaalsContact C-N 3.33Å; V333-R335 PolarHBondContact O-N 3.37Å; V333-V336 PolarHBondContact O-N 3.41Å; V333-V336 VanDerWaalsContact O-N 3.17Å; V333-F337 HydrophobicContact CG1-CD2 3.7Å; V333-F337 HydrophobicContact CG1-CE2 3.77Å; V333-F337 WeakPolarHBondContact O-CD2 3.44Å; V333-F337 PolarHBondContact O-N 3.06Å; V333-I344 HydrophobicContact CB-CG2 4.16Å; V333-I344 HydrophobicContact CG1-CD1 3.98Å; V333-I344 HydrophobicContact CG1-CG1 4.27Å; V333-I344 HydrophobicContact CG1-CG2 3.91Å |
| 334 | G | 91.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 82.4 Ų | 82.4 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L330 E331 E332 F337 G338 V339 | L330-G334 PolarHBondContact O-N 2.97Å; E331-G334 PolarHBondContact O-N 3.41Å; E332-G334 VanDerWaalsContact C-N 3.27Å; E332-G334 PolarHBondContact O-N 2.94Å; G334-F337 PolarHBondContact O-N 3.36Å; G334-G338 PolarHBondContact O-N 3.25Å; G334-V339 CarbonylContact C-O 3.59Å; G334-V339 VanDerWaalsContact C-O 3.31Å; G334-V339 VanDerWaalsContact CA-O 3.24Å; G334-V339 WeakPolarHBondContact CA-O 3.22Å; G334-V339 PolarHBondContact O-N 2.96Å; G334-V339 VanDerWaalsContact O-O 3.08Å |
| 335 | R | 91.9 | Very high | 92 | Very high | 183 Ų | 183 | 85.9 Ų | 85.9 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 174.6 | -70.1 | 176.8 | -169 | -178.4 | 5.2 | 111.9 | E331 E332 V333 G338 | E331-R335 WeakPolarHBondContact O-CG 3.24Å; E331-R335 PolarHBondContact O-N 2.93Å; E331-R335 IonicContact OE1-CZ 3.35Å; E331-R335 IonicContact OE1-NE 2.75Å; E331-R335 IonicContact OE1-NH2 3.65Å; E331-R335 PolarHBondContact OE1-NH2 2.9Å; E332-R335 WeakPolarHBondContact O-CB 3.36Å; E332-R335 PolarHBondContact O-N 3.44Å; V333-R335 VanDerWaalsContact C-N 3.33Å; V333-R335 PolarHBondContact O-N 3.37Å; R335-G338 PolarHBondContact O-N 3.17Å |
| 336 | V | 90.7 | Very high | 92.4 | Very high | 88 Ų | 88 | 87.1 Ų | 87.1 | 53% | 0.533 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | L318 E332 V333 | L318-V336 HydrophobicContact CD1-CG1 4.04Å; E332-V336 WeakPolarHBondContact O-CG2 3.19Å; E332-V336 PolarHBondContact O-N 3.28Å; E332-V336 VanDerWaalsContact O-N 3.15Å; V333-V336 PolarHBondContact O-N 3.41Å; V333-V336 VanDerWaalsContact O-N 3.17Å |
| 337 | F | 90.5 | Very high | 92.6 | Very high | 51 Ų | 51 | 78.8 Ų | 78.8 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -88.8 | -0.1 | -178.8 | -76.3 | -80.6 | 0 | 0 | 0 | 114.8 | R311 N314 V315 L318 V333 G334 V339 I344 | R311-F337 HydrophobicContact CG-CD1 4.44Å; R311-F337 HydrophobicContact CG-CE1 4.26Å; N314-F337 HydrophobicContact CB-CE1 4.29Å; N314-F337 HydrophobicContact CB-CZ 3.63Å; V315-F337 HydrophobicContact CB-CE2 4.36Å; V315-F337 HydrophobicContact CG2-CD2 3.89Å; V315-F337 HydrophobicContact CG2-CE1 4.39Å; V315-F337 HydrophobicContact CG2-CE2 3.43Å; V315-F337 VanDerWaalsContact CG2-CE2 3.43Å; V315-F337 HydrophobicContact CG2-CZ 3.72Å; L318-F337 HydrophobicContact CD1-CE2 3.92Å; L318-F337 HydrophobicContact CD1-CZ 4.48Å; V333-F337 HydrophobicContact CG1-CD2 3.7Å; V333-F337 HydrophobicContact CG1-CE2 3.77Å; V333-F337 WeakPolarHBondContact O-CD2 3.44Å; V333-F337 PolarHBondContact O-N 3.06Å; G334-F337 PolarHBondContact O-N 3.36Å; F337-V339 VanDerWaalsContact C-N 3.32Å; F337-V339 HydrophobicContact CB-CG2 3.83Å; F337-V339 PolarHBondContact O-N 2.95Å; F337-I344 HydrophobicContact CB-CD1 4.22Å; F337-I344 HydrophobicContact CD2-CD1 4.11Å; F337-I344 HydrophobicContact CG-CD1 4.43Å |
| 338 | G | 92.2 | Very high | 92.6 | Very high | 71 Ų | 71 | 75.3 Ų | 75.3 | 73% | 0.732 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 34.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G334 R335 | G334-G338 PolarHBondContact O-N 3.25Å; R335-G338 PolarHBondContact O-N 3.17Å |
| 339 | V | 93.1 | Very high | 92.6 | Very high | 37 Ų | 37 | 74.3 Ų | 74.3 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -131.5 | 161.5 | -178.7 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | G334 F337 R343 I344 | G334-V339 CarbonylContact C-O 3.59Å; G334-V339 VanDerWaalsContact C-O 3.31Å; G334-V339 VanDerWaalsContact CA-O 3.24Å; G334-V339 WeakPolarHBondContact CA-O 3.22Å; G334-V339 PolarHBondContact O-N 2.96Å; G334-V339 VanDerWaalsContact O-O 3.08Å; F337-V339 VanDerWaalsContact C-N 3.32Å; F337-V339 HydrophobicContact CB-CG2 3.83Å; F337-V339 PolarHBondContact O-N 2.95Å; V339-R343 HydrophobicContact CB-CB 4.07Å; V339-R343 HydrophobicContact CB-CG 4.09Å; V339-R343 HydrophobicContact CG1-CG 4.34Å; V339-R343 HydrophobicContact CG2-CB 4.32Å; V339-R343 HydrophobicContact CG2-CG 4.33Å; V339-I344 HydrophobicContact CG2-CD1 3.32Å; V339-I344 HydrophobicContact CG2-CG1 3.8Å |
| 340 | T | 93.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 76.6 Ų | 76.6 | 60% | 0.595 | 38% | 0.375 | S | S | * | . | trans | -66.2 | 152.5 | 178.7 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | E342 R343 I344 | T340-E342 PolarHBondContact O-N 3.35Å; T340-E342 VanDerWaalsContact O-N 3.14Å; T340-R343 WeakPolarHBondContact O-CA 3.38Å; T340-R343 WeakPolarHBondContact O-CB 3.49Å; T340-R343 PolarHBondContact O-N 3.15Å; T340-R343 PolarHBondContact OG1-N 3.28Å; T340-I344 PolarHBondContact O-N 3.43Å | ||
| 341 | R | 92.8 | Very high | 92.5 | Very high | 170 Ų | 170 | 74.3 Ų | 74.3 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -51 | -38.2 | 174.1 | 73.8 | -179.2 | -171 | -178.8 | 0.5 | 112.7 | L330 R343 I344 R345 | L330-R341 HydrophobicContact CB-CB 4.47Å; R341-R343 VanDerWaalsContact C-N 3.32Å; R341-I344 PolarHBondContact O-N 2.96Å; R341-R345 PolarHBondContact O-N 3.38Å |
| 342 | E | 92.2 | Very high | 92.5 | Very high | 87 Ų | 87 | 72.3 Ų | 72.3 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.2 | -33.7 | -178.8 | -173.3 | 56.5 | -150.4 | 0 | 0 | 110.9 | T340 R345 Q346 | T340-E342 PolarHBondContact O-N 3.35Å; T340-E342 VanDerWaalsContact O-N 3.14Å; E342-R345 WeakPolarHBondContact O-CB 3.4Å; E342-R345 PolarHBondContact O-N 3.15Å; E342-Q346 WeakPolarHBondContact O-CG 3.18Å; E342-Q346 PolarHBondContact O-N 2.77Å |
| 343 | R | 91.3 | Very high | 92.4 | Very high | 122 Ų | 122 | 77.7 Ų | 77.7 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 174.9 | -173.8 | 55.1 | 174.6 | 177 | -0.9 | 111.9 | V339 T340 R341 Q346 I347 | V339-R343 HydrophobicContact CB-CB 4.07Å; V339-R343 HydrophobicContact CB-CG 4.09Å; V339-R343 HydrophobicContact CG1-CG 4.34Å; V339-R343 HydrophobicContact CG2-CB 4.32Å; V339-R343 HydrophobicContact CG2-CG 4.33Å; T340-R343 WeakPolarHBondContact O-CA 3.38Å; T340-R343 WeakPolarHBondContact O-CB 3.49Å; T340-R343 PolarHBondContact O-N 3.15Å; T340-R343 PolarHBondContact OG1-N 3.28Å; R341-R343 VanDerWaalsContact C-N 3.32Å; R343-Q346 PolarHBondContact O-N 3.08Å; R343-I347 HydrophobicContact CG-CD1 4.27Å; R343-I347 WeakPolarHBondContact O-CG1 3.3Å; R343-I347 PolarHBondContact O-N 3.23Å |
| 344 | I | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 173.4 | -63.2 | -55.6 | 0 | 0 | 0 | 110.7 | V315 L330 V333 F337 V339 T340 R341 Q346 I347 E348 | V315-I344 HydrophobicContact CG1-CG2 3.91Å; V315-I344 HydrophobicContact CG2-CD1 4.05Å; L330-I344 HydrophobicContact CD2-CG2 3.74Å; V333-I344 HydrophobicContact CB-CG2 4.16Å; V333-I344 HydrophobicContact CG1-CD1 3.98Å; V333-I344 HydrophobicContact CG1-CG1 4.27Å; V333-I344 HydrophobicContact CG1-CG2 3.91Å; F337-I344 HydrophobicContact CB-CD1 4.22Å; F337-I344 HydrophobicContact CD2-CD1 4.11Å; F337-I344 HydrophobicContact CG-CD1 4.43Å; V339-I344 HydrophobicContact CG2-CD1 3.32Å; V339-I344 HydrophobicContact CG2-CG1 3.8Å; T340-I344 PolarHBondContact O-N 3.43Å; R341-I344 PolarHBondContact O-N 2.96Å; I344-Q346 VanDerWaalsContact C-N 3.27Å; I344-Q346 PolarHBondContact O-N 2.89Å; I344-I347 PolarHBondContact O-N 3.03Å; I344-I347 VanDerWaalsContact O-N 3.07Å; I344-E348 WeakPolarHBondContact O-CB 3.23Å; I344-E348 PolarHBondContact O-N 3.1Å |
| 345 | R | 94.4 | Very high | 92.2 | Very high | 146 Ų | 146 | 82 Ų | 82 | 55% | 0.551 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -55.1 | -43 | 176.1 | -173.1 | -173.2 | 179 | 169.6 | 2.7 | 112.4 | L330 R341 E342 A349 | L330-R345 HydrophobicContact CD1-CB 4.2Å; L330-R345 HydrophobicContact CD1-CG 4.47Å; R341-R345 PolarHBondContact O-N 3.38Å; E342-R345 WeakPolarHBondContact O-CB 3.4Å; E342-R345 PolarHBondContact O-N 3.15Å; R345-A349 VanDerWaalsContact O-CB 3.29Å; R345-A349 WeakPolarHBondContact O-CB 3.29Å; R345-A349 PolarHBondContact O-N 2.94Å |
| 346 | Q | 94.3 | Very high | 91.9 | Very high | 92 Ų | 92 | 83 Ų | 83 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 176.9 | -72.9 | 173.7 | 4.2 | 0 | 0 | 112.5 | E342 R343 I344 K350 | E342-Q346 WeakPolarHBondContact O-CG 3.18Å; E342-Q346 PolarHBondContact O-N 2.77Å; R343-Q346 PolarHBondContact O-N 3.08Å; I344-Q346 VanDerWaalsContact C-N 3.27Å; I344-Q346 PolarHBondContact O-N 2.89Å; Q346-K350 VanDerWaalsContact O-CB 3.28Å; Q346-K350 WeakPolarHBondContact O-CB 3.48Å; Q346-K350 PolarHBondContact O-N 2.76Å |
| 347 | I | 93.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 84 Ų | 84 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 177.4 | -67 | 167.2 | 0 | 0 | 0 | 109.8 | R311 E312 V315 R343 I344 K350 A351 | R311-I347 HydrophobicContact CG-CD1 4.47Å; E312-I347 HydrophobicContact CB-CG2 4.37Å; E312-I347 HydrophobicContact CG-CG2 3.86Å; V315-I347 HydrophobicContact CB-CG2 4.16Å; V315-I347 HydrophobicContact CG1-CG2 4.24Å; V315-I347 HydrophobicContact CG2-CG2 4.07Å; R343-I347 HydrophobicContact CG-CD1 4.27Å; R343-I347 WeakPolarHBondContact O-CG1 3.3Å; R343-I347 PolarHBondContact O-N 3.23Å; I344-I347 PolarHBondContact O-N 3.03Å; I344-I347 VanDerWaalsContact O-N 3.07Å; I347-K350 PolarHBondContact O-N 3.08Å; I347-A351 WeakPolarHBondContact O-CB 3.42Å; I347-A351 PolarHBondContact O-N 3.02Å |
| 348 | E | 92.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 86 Ų | 86 | 13% | 0.126 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.5 | -51.7 | 175.8 | -179.6 | -172.3 | -165.6 | 0 | 0 | 111.1 | L316 R319 L330 I344 K350 A351 L352 | L316-E348 HydrophobicContact CD2-CG 4.18Å; R319-E348 IonicContact NE-OE1 2.82Å; L330-E348 VanDerWaalsContact CD2-OE2 3.3Å; L330-E348 WeakPolarHBondContact CD2-OE2 3.4Å; I344-E348 WeakPolarHBondContact O-CB 3.23Å; I344-E348 PolarHBondContact O-N 3.1Å; E348-K350 VanDerWaalsContact C-N 3.26Å; E348-K350 PolarHBondContact O-N 3.38Å; E348-A351 PolarHBondContact O-N 2.98Å; E348-A351 VanDerWaalsContact O-N 3.16Å; E348-L352 HydrophobicContact CG-CD1 3.9Å; E348-L352 HydrophobicContact CG-CG 4.34Å; E348-L352 WeakPolarHBondContact O-CB 3.28Å; E348-L352 WeakPolarHBondContact O-CG 3.34Å; E348-L352 PolarHBondContact O-N 3.38Å |
| 349 | A | 93.2 | Very high | 91.1 | Very high | 59 Ų | 59 | 86.4 Ų | 86.4 | 49% | 0.488 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R345 R353 | R345-A349 VanDerWaalsContact O-CB 3.29Å; R345-A349 WeakPolarHBondContact O-CB 3.29Å; R345-A349 PolarHBondContact O-N 2.94Å; A349-R353 VanDerWaalsContact O-CB 3.29Å; A349-R353 WeakPolarHBondContact O-CB 3.4Å; A349-R353 PolarHBondContact O-N 3.03Å |
| 350 | K | 93.6 | Very high | 90.6 | Very high | 122 Ų | 122 | 87.3 Ų | 87.3 | 53% | 0.53 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 175.7 | -176.8 | 179.2 | 175.6 | -171.8 | 0 | 111.8 | E312 Q346 I347 E348 R353 K354 | E312-K350 WeakPolarHBondContact OE1-CE 3.34Å; E312-K350 IonicContact OE1-NZ 3.87Å; Q346-K350 VanDerWaalsContact O-CB 3.28Å; Q346-K350 WeakPolarHBondContact O-CB 3.48Å; Q346-K350 PolarHBondContact O-N 2.76Å; I347-K350 PolarHBondContact O-N 3.08Å; E348-K350 VanDerWaalsContact C-N 3.26Å; E348-K350 PolarHBondContact O-N 3.38Å; K350-R353 PolarHBondContact O-N 3.3Å; K350-K354 WeakPolarHBondContact O-CG 3.4Å; K350-K354 PolarHBondContact O-N 3.01Å; K350-K354 VanDerWaalsContact O-N 3.08Å |
| 351 | A | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | L308 E312 L316 I347 E348 R353 K354 L355 | L308-A351 HydrophobicContact CD1-CB 4.28Å; L308-A351 HydrophobicContact CD2-CB 4.39Å; E312-A351 HydrophobicContact CB-CB 3.92Å; E312-A351 HydrophobicContact CG-CB 4.11Å; L316-A351 HydrophobicContact CD1-CB 3.8Å; L316-A351 HydrophobicContact CD2-CB 4.3Å; L316-A351 HydrophobicContact CG-CB 4.15Å; I347-A351 WeakPolarHBondContact O-CB 3.42Å; I347-A351 PolarHBondContact O-N 3.02Å; E348-A351 PolarHBondContact O-N 2.98Å; E348-A351 VanDerWaalsContact O-N 3.16Å; A351-R353 VanDerWaalsContact C-N 3.28Å; A351-R353 PolarHBondContact O-N 2.83Å; A351-K354 WeakPolarHBondContact O-CB 3.34Å; A351-K354 PolarHBondContact O-N 3.45Å; A351-L355 WeakPolarHBondContact O-CG 3.13Å; A351-L355 PolarHBondContact O-N 3.05Å |
| 352 | L | 92.1 | Very high | 89.7 | Confident | 58 Ų | 58 | 83 Ų | 83 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.8 | -38.1 | 174.8 | -69.9 | 176.3 | 0 | 0 | 0 | 112.1 | L316 E348 K354 L355 R356 | L316-L352 HydrophobicContact CD2-CD2 4.43Å; L316-L352 HydrophobicContact CD2-CG 4.47Å; E348-L352 HydrophobicContact CG-CD1 3.9Å; E348-L352 HydrophobicContact CG-CG 4.34Å; E348-L352 WeakPolarHBondContact O-CB 3.28Å; E348-L352 WeakPolarHBondContact O-CG 3.34Å; E348-L352 PolarHBondContact O-N 3.38Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.34Å; L352-L355 PolarHBondContact O-N 3.26Å; L352-R356 WeakPolarHBondContact O-CB 3.44Å; L352-R356 VanDerWaalsContact O-CG 3.26Å; L352-R356 WeakPolarHBondContact O-CG 3.48Å; L352-R356 PolarHBondContact O-N 2.99Å |
| 353 | R | 90.7 | Very high | 89.1 | Confident | 204 Ų | 204 | 83 Ų | 83 | 77% | 0.77 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 174.6 | -176.6 | 179 | 175.5 | -175.2 | -0.3 | 112.2 | A349 K350 A351 | A349-R353 VanDerWaalsContact O-CB 3.29Å; A349-R353 WeakPolarHBondContact O-CB 3.4Å; A349-R353 PolarHBondContact O-N 3.03Å; K350-R353 PolarHBondContact O-N 3.3Å; A351-R353 VanDerWaalsContact C-N 3.28Å; A351-R353 PolarHBondContact O-N 2.83Å |
| 354 | K | 90 | Very high | 88.6 | Confident | 62 Ų | 62 | 79 Ų | 79 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 175.1 | -70.6 | 174.2 | 172.5 | 179.8 | 0 | 111.4 | L308 E312 K350 A351 L352 R356 H357 | L308-K354 HydrophobicContact CD2-CB 3.96Å; L308-K354 HydrophobicContact CD2-CD 3.82Å; E312-K354 IonicContact OE1-NZ 2.78Å; E312-K354 PolarHBondContact OE1-NZ 3.21Å; E312-K354 IonicContact OE2-NZ 3.11Å; E312-K354 PolarHBondContact OE2-NZ 3.33Å; K350-K354 WeakPolarHBondContact O-CG 3.4Å; K350-K354 PolarHBondContact O-N 3.01Å; K350-K354 VanDerWaalsContact O-N 3.08Å; A351-K354 WeakPolarHBondContact O-CB 3.34Å; A351-K354 PolarHBondContact O-N 3.45Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.34Å; K354-R356 VanDerWaalsContact C-N 3.28Å; K354-R356 PolarHBondContact O-N 3.07Å; K354-H357 VanDerWaalsContact O-CB 3.23Å; K354-H357 WeakPolarHBondContact O-CB 3.23Å; K354-H357 PolarHBondContact O-N 3.41Å; K354-H357 VanDerWaalsContact O-N 3.1Å |
| 355 | L | 88.2 | Confident | 88.2 | Confident | 33 Ų | 33 | 85.2 Ų | 85.2 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -33.4 | 178.8 | -68.2 | 178.6 | 0 | 0 | 0 | 112.8 | V304 L308 L316 A351 L352 H357 S361 | V304-L355 HydrophobicContact CG1-CD2 3.32Å; L308-L355 HydrophobicContact CD1-CD1 4.18Å; L308-L355 HydrophobicContact CD1-CD2 4.1Å; L308-L355 HydrophobicContact CD1-CG 4.19Å; L308-L355 HydrophobicContact CD2-CD2 4.36Å; L308-L355 HydrophobicContact CD2-CG 4.4Å; L308-L355 HydrophobicContact CG-CD2 4.3Å; L316-L355 HydrophobicContact CD1-CD1 3.65Å; A351-L355 WeakPolarHBondContact O-CG 3.13Å; A351-L355 PolarHBondContact O-N 3.05Å; L352-L355 PolarHBondContact O-N 3.26Å; L355-H357 PolarHBondContact O-N 3.47Å; L355-S361 PolarHBondContact O-N 2.89Å |
| 356 | R | 87.4 | Confident | 87.6 | Confident | 203 Ų | 203 | 84.2 Ų | 84.2 | 77% | 0.766 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.8 | 174.9 | -76.4 | 175.9 | 179.4 | -138.9 | -0.4 | 114.5 | L352 K354 | L352-R356 WeakPolarHBondContact O-CB 3.44Å; L352-R356 VanDerWaalsContact O-CG 3.26Å; L352-R356 WeakPolarHBondContact O-CG 3.48Å; L352-R356 PolarHBondContact O-N 2.99Å; K354-R356 VanDerWaalsContact C-N 3.28Å; K354-R356 PolarHBondContact O-N 3.07Å |
| 357 | H | 87.9 | Confident | 86.9 | Confident | 110 Ų | 110 | 82.4 Ų | 82.4 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -63.7 | 139.3 | 178.5 | -167.3 | -96.6 | 0 | 0 | 0 | 110.2 | K354 L355 S359 R360 S361 | K354-H357 VanDerWaalsContact O-CB 3.23Å; K354-H357 WeakPolarHBondContact O-CB 3.23Å; K354-H357 PolarHBondContact O-N 3.41Å; K354-H357 VanDerWaalsContact O-N 3.1Å; L355-H357 PolarHBondContact O-N 3.47Å; H357-S359 PolarHBondContact ND1-N 2.9Å; H357-S359 PolarHBondContact ND1-OG 2.88Å; H357-S359 PolarHBondContact O-N 3.21Å; H357-R360 PolarHBondContact O-N 3.33Å; H357-S361 PolarHBondContact O-N 2.64Å; H357-S361 PolarHBondContact O-OG 3.36Å |
| 358 | P | 84.7 | Confident | 86 | Confident | 92 Ų | 92 | 89 Ų | 89 | 60% | 0.597 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -53.8 | -32.8 | -175.9 | -29.8 | 35.9 | 0 | 0 | 0 | 114.4 | R360 S361 K362 | P358-R360 VanDerWaalsContact C-N 3.29Å; P358-R360 PolarHBondContact O-N 3.07Å; P358-S361 WeakPolarHBondContact CA-OG 3.23Å; P358-K362 WeakPolarHBondContact O-CB 3.45Å; P358-K362 PolarHBondContact O-N 3.01Å; P358-K362 VanDerWaalsContact O-N 3.15Å |
| 359 | S | 83.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.7 | -28.5 | 179.3 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | H357 | H357-S359 PolarHBondContact ND1-N 2.9Å; H357-S359 PolarHBondContact ND1-OG 2.88Å; H357-S359 PolarHBondContact O-N 3.21Å |
| 360 | R | 82.2 | Confident | 83.8 | Confident | 56 Ų | 56 | 101.3 Ų | 101.3 | 21% | 0.211 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -101.4 | -44 | -179.2 | -61.3 | -179.4 | -172.4 | -160.5 | -8.2 | 111.2 | V304 T307 L308 H357 P358 K362 Q363 | V304-R360 HydrophobicContact CG1-CB 4.28Å; T307-R360 PolarHBondContact O-NH1 2.97Å; T307-R360 PolarHBondContact O-NH2 3.43Å; T307-R360 PolarHBondContact OG1-NE 2.91Å; T307-R360 PolarHBondContact OG1-NH1 3.19Å; L308-R360 VanDerWaalsContact CD2-NH1 3.34Å; H357-R360 PolarHBondContact O-N 3.33Å; P358-R360 VanDerWaalsContact C-N 3.29Å; P358-R360 PolarHBondContact O-N 3.07Å; R360-K362 VanDerWaalsContact C-N 3.25Å; R360-K362 PolarHBondContact O-N 3.12Å; R360-Q363 PolarHBondContact O-N 2.66Å |
| 361 | S | 83.8 | Confident | 83.3 | Confident | 22 Ų | 22 | 100.2 Ų | 100.2 | 15% | 0.154 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65 | -25.6 | 179.4 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | L355 H357 P358 Q363 L364 K365 | L355-S361 PolarHBondContact O-N 2.89Å; H357-S361 PolarHBondContact O-N 2.64Å; H357-S361 PolarHBondContact O-OG 3.36Å; P358-S361 WeakPolarHBondContact CA-OG 3.23Å; S361-Q363 VanDerWaalsContact C-N 3.3Å; S361-Q363 PolarHBondContact O-N 2.82Å; S361-L364 PolarHBondContact O-N 3.29Å; S361-K365 VanDerWaalsContact O-CG 3.28Å; S361-K365 WeakPolarHBondContact O-CG 3.4Å; S361-K365 PolarHBondContact O-N 3.4Å |
| 362 | K | 84.5 | Confident | 82.9 | Confident | 154 Ų | 154 | 105.7 Ų | 105.7 | 67% | 0.67 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.2 | -36.9 | 179.7 | -172.9 | 178.5 | 179.3 | -172.3 | 0 | 112.6 | P358 R360 L364 | P358-K362 WeakPolarHBondContact O-CB 3.45Å; P358-K362 PolarHBondContact O-N 3.01Å; P358-K362 VanDerWaalsContact O-N 3.15Å; R360-K362 VanDerWaalsContact C-N 3.25Å; R360-K362 PolarHBondContact O-N 3.12Å; K362-L364 VanDerWaalsContact C-N 3.34Å |
| 363 | Q | 78.5 | Confident | 82.3 | Confident | 89 Ų | 89 | 108.5 Ų | 108.5 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 179.4 | -70.5 | 171.2 | -51.3 | 0 | 0 | 112.6 | V304 R360 S361 | V304-Q363 HydrophobicContact CG2-CB 4.5Å; R360-Q363 PolarHBondContact O-N 2.66Å; S361-Q363 VanDerWaalsContact C-N 3.3Å; S361-Q363 PolarHBondContact O-N 2.82Å |
| 364 | L | 82.6 | Confident | 81.8 | Confident | 38 Ų | 38 | 102.6 Ų | 102.6 | 20% | 0.199 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -89.9 | -16.1 | -178.2 | -62.8 | 174 | 0 | 0 | 0 | 113.4 | L297 Q300 L301 V304 S361 K362 D366 F367 | L297-L364 HydrophobicContact CD1-CD2 3.96Å; Q300-L364 HydrophobicContact CB-CD2 4.03Å; L301-L364 HydrophobicContact CB-CD2 4.47Å; L301-L364 HydrophobicContact CD1-CD1 4.23Å; V304-L364 HydrophobicContact CB-CD1 4.32Å; V304-L364 HydrophobicContact CG1-CD1 4.05Å; V304-L364 HydrophobicContact CG2-CD1 4.26Å; V304-L364 HydrophobicContact CG2-CG 4.23Å; S361-L364 PolarHBondContact O-N 3.29Å; K362-L364 VanDerWaalsContact C-N 3.34Å; L364-D366 VanDerWaalsContact C-N 3.28Å; L364-D366 PolarHBondContact O-N 3.48Å; L364-F367 PolarHBondContact O-N 2.76Å |
| 365 | K | 83.1 | Confident | 81.2 | Confident | 129 Ų | 129 | 105.3 Ų | 105.3 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -33.6 | -178.2 | -91.8 | 179.6 | -179 | -168.1 | 0 | 112.9 | S361 F367 L368 | S361-K365 VanDerWaalsContact O-CG 3.28Å; S361-K365 WeakPolarHBondContact O-CG 3.4Å; S361-K365 PolarHBondContact O-N 3.4Å; K365-F367 PolarHBondContact O-N 2.89Å; K365-L368 PolarHBondContact O-N 2.8Å |
| 366 | D | 81.5 | Confident | 80.7 | Confident | 125 Ų | 125 | 110.4 Ų | 110.4 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.9 | -176.6 | -61 | -10.6 | 0 | 0 | 0 | 112.2 | L364 | L364-D366 VanDerWaalsContact C-N 3.28Å; L364-D366 PolarHBondContact O-N 3.48Å |
| 367 | F | 79.7 | Confident | 80.2 | Confident | 55 Ų | 55 | 103.3 Ų | 103.3 | 24% | 0.241 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.1 | 176.6 | -62.6 | -88.2 | 0 | 0 | 0 | 114.1 | A293 M296 L297 Q300 L364 K365 | A293-F367 WeakPolarHBondContact O-CE1 3.48Å; M296-F367 HydrophobicContact CB-CE1 3.71Å; M296-F367 HydrophobicContact CB-CZ 3.88Å; L297-F367 HydrophobicContact CB-CD1 3.77Å; L297-F367 HydrophobicContact CB-CE1 4.06Å; L297-F367 HydrophobicContact CB-CG 4.12Å; L297-F367 HydrophobicContact CD1-CB 3.77Å; L297-F367 HydrophobicContact CD1-CD1 4.34Å; L297-F367 HydrophobicContact CD1-CD2 4Å; L297-F367 HydrophobicContact CD1-CG 3.79Å; L297-F367 HydrophobicContact CD2-CB 4.41Å; L297-F367 HydrophobicContact CG-CB 4.46Å; L297-F367 HydrophobicContact CG-CG 4.44Å; Q300-F367 HydrophobicContact CB-CE2 4.21Å; Q300-F367 HydrophobicContact CG-CE2 3.93Å; Q300-F367 HydrophobicContact CG-CZ 4.1Å; L364-F367 PolarHBondContact O-N 2.76Å; K365-F367 PolarHBondContact O-N 2.89Å |
| 368 | L | 74.4 | Confident | 79.6 | Confident | 153 Ų | 153 | 102.8 Ų | 102.8 | 80% | 0.801 | 52% | 0.516 | S | S | * | . | trans | -97.1 | -7.1 | 179 | -74.9 | 170.1 | 0 | 0 | 0 | 113.4 | K365 | K365-L368 PolarHBondContact O-N 2.8Š| ||
| 369 | E | 56.9 | Low | 79.1 | Confident | 241 Ų | 241 | 103.7 Ų | 103.7 | 100% | 1.126 | 51% | 0.509 | S | S | * | . | trans | -82 | 0 | 166.9 | -68.5 | -173.1 | 172 | 0 | 0 | 109.9 |
Retrieved 369 of 369 residues in 250.1 ms
(Link to these results)