| 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 | 59 | Low | 84.4 | Confident | 164 Ų | 164 | 90.9 Ų | 90.9 | 81% | 0.808 | 47% | 0.471 | S | S | * | . | 0 | -58.7 | 0 | -69.6 | -163.7 | -102.2 | 0 | 0 | 110.9 | E3 A4 H5 | M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.42Å; M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 2.93Å; M1-H5 PolarHBondContact O-N 3.09Å | |||
| 2 | A | 67.7 | Low | 85.4 | Confident | 73 Ų | 73 | 86.7 Ų | 86.7 | 60% | 0.603 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -53.9 | -40.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A4 H5 Q6 | A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.38Å; A2-H5 PolarHBondContact O-N 3.31Å; A2-Q6 PolarHBondContact O-N 3.4Å |
| 3 | E | 73.8 | Confident | 86.2 | Confident | 146 Ų | 146 | 81.9 Ų | 81.9 | 68% | 0.682 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60 | -36.5 | 174.8 | -68.9 | 174.1 | 164.1 | 0 | 0 | 113.3 | M1 Q6 T7 | M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.42Å; E3-Q6 PolarHBondContact O-N 3.18Å; E3-T7 PolarHBondContact O-N 3.39Å; E3-T7 PolarHBondContact O-OG1 3.31Å |
| 4 | A | 85.6 | Confident | 87 | Confident | 55 Ų | 55 | 84 Ų | 84 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 A2 Q6 T7 R8 | M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 2.93Å; A2-A4 VanDerWaalsContact C-N 3.31Å; A2-A4 PolarHBondContact O-N 3.38Å; A4-Q6 VanDerWaalsContact C-N 3.33Å; A4-T7 PolarHBondContact O-N 3.22Å; A4-R8 VanDerWaalsContact O-CG 3.25Å; A4-R8 WeakPolarHBondContact O-CG 3.23Å; A4-R8 PolarHBondContact O-N 3.37Å |
| 5 | H | 87.4 | Confident | 87.7 | Confident | 26 Ų | 26 | 85.4 Ų | 85.4 | 12% | 0.12 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 174 | -67.2 | -48.2 | 0 | 0 | 0 | 111.4 | M1 A2 R8 V9 D108 V111 G112 V115 | M1-H5 PolarHBondContact O-N 3.09Å; A2-H5 PolarHBondContact O-N 3.31Å; H5-R8 PolarHBondContact O-N 3.05Å; H5-V9 PolarHBondContact O-N 3.1Å; H5-D108 IonicContact CD2-OD1 3.32Å; H5-D108 IonicContact NE2-OD1 3.97Å; H5-D108 PolarHBondContact NE2-OD1 3.19Å; H5-V111 HydrophobicContact CB-CG1 4.03Å; H5-G112 VanDerWaalsContact CE1-CA 3.47Å; H5-G112 WeakPolarHBondContact CE1-CA 3.35Å; H5-V115 HydrophobicContact CB-CG2 3.92Å |
| 6 | Q | 85 | Confident | 88.2 | Confident | 109 Ų | 109 | 80.6 Ų | 80.6 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 175.7 | -174.3 | 176.3 | 7.1 | 0 | 0 | 112.6 | A2 E3 A4 R8 V9 Q10 | A2-Q6 PolarHBondContact O-N 3.4Å; E3-Q6 PolarHBondContact O-N 3.18Å; A4-Q6 VanDerWaalsContact C-N 3.33Å; Q6-R8 VanDerWaalsContact C-N 3.3Å; Q6-R8 PolarHBondContact O-N 2.96Å; Q6-V9 WeakPolarHBondContact O-CG1 3.44Å; Q6-V9 PolarHBondContact O-N 3.19Å; Q6-Q10 HydrophobicContact CG-CG 4.48Å; Q6-Q10 WeakPolarHBondContact O-CB 3.45Å; Q6-Q10 VanDerWaalsContact O-CG 3.27Å; Q6-Q10 WeakPolarHBondContact O-CG 3.21Å; Q6-Q10 PolarHBondContact O-N 3.32Å |
| 7 | T | 92 | Very high | 88.7 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | E3 A4 Q10 K11 | E3-T7 PolarHBondContact O-N 3.39Å; E3-T7 PolarHBondContact O-OG1 3.31Å; A4-T7 PolarHBondContact O-N 3.22Å; T7-Q10 PolarHBondContact O-N 3.07Å; T7-K11 WeakPolarHBondContact O-CB 3.09Å; T7-K11 PolarHBondContact O-N 3.4Å |
| 8 | R | 94.1 | Very high | 89.2 | Confident | 105 Ų | 105 | 80 Ų | 80 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -50.9 | 177.8 | -75.7 | 173.2 | 69.9 | -144.6 | -2.4 | 111.9 | A4 H5 Q6 K11 V12 V115 D116 I119 | A4-R8 VanDerWaalsContact O-CG 3.25Å; A4-R8 WeakPolarHBondContact O-CG 3.23Å; A4-R8 PolarHBondContact O-N 3.37Å; H5-R8 PolarHBondContact O-N 3.05Å; Q6-R8 VanDerWaalsContact C-N 3.3Å; Q6-R8 PolarHBondContact O-N 2.96Å; R8-K11 PolarHBondContact O-N 3.41Å; R8-V12 WeakPolarHBondContact O-CG2 3.31Å; R8-V12 PolarHBondContact O-N 3.39Å; R8-V115 HydrophobicContact CB-CG1 4.47Å; R8-D116 IonicContact CZ-OD1 3.6Å; R8-D116 VanDerWaalsContact CZ-OD1 3.32Å; R8-D116 IonicContact NH1-OD1 2.64Å; R8-D116 PolarHBondContact NH1-OD1 2.04Å; R8-D116 IonicContact NH2-OD1 3.07Å; R8-D116 PolarHBondContact NH2-OD1 3.46Å; R8-I119 HydrophobicContact CB-CD1 4.33Å |
| 9 | V | 94.5 | Very high | 89.6 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | -179.8 | 66 | 0 | 0 | 0 | 0 | 111.8 | H5 Q6 K11 V12 V13 F75 L79 V115 I119 | H5-V9 PolarHBondContact O-N 3.1Å; Q6-V9 WeakPolarHBondContact O-CG1 3.44Å; Q6-V9 PolarHBondContact O-N 3.19Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.27Å; V9-V12 PolarHBondContact O-N 2.88Å; V9-V13 HydrophobicContact CG2-CG2 4.28Å; V9-V13 WeakPolarHBondContact O-CG2 3.3Å; V9-V13 PolarHBondContact O-N 3.41Å; V9-F75 HydrophobicContact CG2-CE1 3.85Å; V9-F75 HydrophobicContact CG2-CZ 4.07Å; V9-L79 HydrophobicContact CB-CD2 4.43Å; V9-L79 HydrophobicContact CG1-CD2 3.99Å; V9-L79 HydrophobicContact CG2-CD2 3.86Å; V9-V115 HydrophobicContact CB-CG1 4.26Å; V9-I119 HydrophobicContact CG2-CG1 4.46Å |
| 10 | Q | 93.3 | Very high | 89.9 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 176.2 | -78.5 | 173.3 | -13.4 | 0 | 0 | 111.5 | Q6 T7 V12 V13 E14 | Q6-Q10 HydrophobicContact CG-CG 4.48Å; Q6-Q10 WeakPolarHBondContact O-CB 3.45Å; Q6-Q10 VanDerWaalsContact O-CG 3.27Å; Q6-Q10 WeakPolarHBondContact O-CG 3.21Å; Q6-Q10 PolarHBondContact O-N 3.32Å; T7-Q10 PolarHBondContact O-N 3.07Å; Q10-V12 PolarHBondContact O-N 3.01Å; Q10-V13 PolarHBondContact O-N 2.86Å; Q10-E14 VanDerWaalsContact O-CB 3.28Å; Q10-E14 WeakPolarHBondContact O-CB 3.48Å; Q10-E14 PolarHBondContact O-N 3.09Å |
| 11 | K | 96.3 | Very high | 90.2 | Very high | 123 Ų | 123 | 72.6 Ų | 72.6 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 179.1 | -178 | 178.6 | 174.4 | -179.3 | 0 | 112.2 | T7 R8 V9 V13 E14 E15 | T7-K11 WeakPolarHBondContact O-CB 3.09Å; T7-K11 PolarHBondContact O-N 3.4Å; R8-K11 PolarHBondContact O-N 3.41Å; V9-K11 VanDerWaalsContact C-N 3.35Å; V9-K11 PolarHBondContact O-N 3.27Å; K11-V13 PolarHBondContact O-N 3.5Å; K11-E14 PolarHBondContact O-N 2.04Å; K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 IonicContact NZ-OE1 3.59Å; K11-E15 WeakPolarHBondContact O-CB 3.06Å; K11-E15 WeakPolarHBondContact O-CG 3.38Å; K11-E15 PolarHBondContact O-N 2.72Å |
| 12 | V | 96.3 | Very high | 92 | Very high | 40 Ų | 40 | 71 Ų | 71 | 24% | 0.242 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | -179.3 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | R8 V9 Q10 M16 I119 V122 | R8-V12 WeakPolarHBondContact O-CG2 3.31Å; R8-V12 PolarHBondContact O-N 3.39Å; V9-V12 PolarHBondContact O-N 2.88Å; Q10-V12 PolarHBondContact O-N 3.01Å; V12-M16 PolarHBondContact O-N 3.45Å; V12-M16 VanDerWaalsContact O-N 3.09Å; V12-I119 HydrophobicContact CB-CG1 4.46Å; V12-I119 HydrophobicContact CG1-CG2 4.36Å; V12-I119 HydrophobicContact CG2-CD1 4.18Å; V12-I119 HydrophobicContact CG2-CG1 4.26Å; V12-I119 HydrophobicContact CG2-CG2 4.26Å; V12-V122 HydrophobicContact CG1-CB 3.99Å; V12-V122 HydrophobicContact CG1-CG1 3.91Å; V12-V122 HydrophobicContact CG1-CG2 3.96Å |
| 13 | V | 95.9 | Very high | 93.2 | Very high | 25 Ų | 25 | 70.2 Ų | 70.2 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | V9 Q10 K11 M16 V17 L72 F75 | V9-V13 HydrophobicContact CG2-CG2 4.28Å; V9-V13 WeakPolarHBondContact O-CG2 3.3Å; V9-V13 PolarHBondContact O-N 3.41Å; Q10-V13 PolarHBondContact O-N 2.86Å; K11-V13 PolarHBondContact O-N 3.5Å; V13-M16 WeakPolarHBondContact O-CB 3.5Å; V13-M16 PolarHBondContact O-N 2.94Å; V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 2.87Å; V13-L72 HydrophobicContact CG1-CD2 3.78Å; V13-F75 HydrophobicContact CG2-CD1 4.22Å; V13-F75 HydrophobicContact CG2-CE1 3.68Å; V13-F75 HydrophobicContact CG2-CZ 4.29Å |
| 14 | E | 96.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 64.5 Ų | 64.5 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 177.8 | -175.7 | 178.2 | -176 | 0 | 0 | 111.6 | Q10 K11 M16 V17 Q18 | Q10-E14 VanDerWaalsContact O-CB 3.28Å; Q10-E14 WeakPolarHBondContact O-CB 3.48Å; Q10-E14 PolarHBondContact O-N 3.09Å; K11-E14 PolarHBondContact O-N 2.04Å; E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.29Å; E14-V17 PolarHBondContact O-N 3.31Å; E14-V17 VanDerWaalsContact O-N 3.15Å; E14-Q18 HydrophobicContact CG-CG 4.36Å; E14-Q18 WeakPolarHBondContact O-CB 3.07Å; E14-Q18 VanDerWaalsContact O-CG 3.31Å; E14-Q18 WeakPolarHBondContact O-CG 3.49Å; E14-Q18 PolarHBondContact O-N 3.12Å; E14-Q18 PolarHBondContact OE1-NE2 3.43Å; E14-Q18 VanDerWaalsContact OE1-NE2 3.09Å |
| 15 | E | 97.4 | Very high | 94.8 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 175.7 | -74.9 | 173.9 | -177.9 | 0 | 0 | 111.7 | K11 S19 | K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 IonicContact NZ-OE1 3.59Å; K11-E15 WeakPolarHBondContact O-CB 3.06Å; K11-E15 WeakPolarHBondContact O-CG 3.38Å; K11-E15 PolarHBondContact O-N 2.72Å; E15-S19 PolarHBondContact O-N 2.91Å |
| 16 | M | 96.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -50.5 | 173.7 | 177.4 | -167.4 | 70.3 | 0 | 0 | 111.6 | V12 V13 E14 Q18 S19 L20 L72 V122 M125 T126 | V12-M16 PolarHBondContact O-N 3.45Å; V12-M16 VanDerWaalsContact O-N 3.09Å; V13-M16 WeakPolarHBondContact O-CB 3.5Å; V13-M16 PolarHBondContact O-N 2.94Å; E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.29Å; M16-Q18 VanDerWaalsContact C-N 3.32Å; M16-Q18 PolarHBondContact O-N 2.87Å; M16-S19 WeakPolarHBondContact O-CB 3.08Å; M16-S19 PolarHBondContact O-N 3.28Å; M16-S19 VanDerWaalsContact O-N 3.15Å; M16-L20 HydrophobicContact CE-CD1 4.48Å; M16-L20 HydrophobicContact CG-CD1 4.15Å; M16-L20 HydrophobicContact CG-CG 4.48Å; M16-L20 WeakPolarHBondContact O-CG 3.06Å; M16-L20 PolarHBondContact O-N 2.97Å; M16-L72 HydrophobicContact CE-CD2 3.4Å; M16-L72 HydrophobicContact CE-CG 4.49Å; M16-V122 HydrophobicContact CB-CG1 4.02Å; M16-V122 HydrophobicContact CG-CG1 4.26Å; M16-V122 HydrophobicContact SD-CG1 3.7Å; M16-M125 HydrophobicContact CE-CE 3.43Å; M16-M125 VanDerWaalsContact CE-CE 3.43Å; M16-M125 HydrophobicContact SD-CE 3.37Å; M16-M125 WeakPolarHBondContact SD-CE 3.44Å; M16-T126 HydrophobicContact CG-CG2 3.79Å; M16-T126 WeakPolarHBondContact CG-OG1 3.19Å; M16-T126 HydrophobicContact SD-CG2 4.46Å; M16-T126 PolarHBondContact SD-OG1 2.97Å |
| 17 | V | 96.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | -178.7 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | V13 E14 S19 L20 E21 L72 | V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 2.87Å; E14-V17 PolarHBondContact O-N 3.31Å; E14-V17 VanDerWaalsContact O-N 3.15Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.4Å; V17-L20 PolarHBondContact O-N 3.08Å; V17-E21 WeakPolarHBondContact O-CB 3.42Å; V17-E21 PolarHBondContact O-N 2.03Å; V17-L72 HydrophobicContact CG2-CD1 3.74Å; V17-L72 HydrophobicContact CG2-CD2 4.21Å |
| 18 | Q | 97 | Very high | 96 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 175.6 | -71.1 | -179.6 | 13.4 | 0 | 0 | 112 | E14 M16 R22 | E14-Q18 HydrophobicContact CG-CG 4.36Å; E14-Q18 WeakPolarHBondContact O-CB 3.07Å; E14-Q18 VanDerWaalsContact O-CG 3.31Å; E14-Q18 WeakPolarHBondContact O-CG 3.49Å; E14-Q18 PolarHBondContact O-N 3.12Å; E14-Q18 PolarHBondContact OE1-NE2 3.43Å; E14-Q18 VanDerWaalsContact OE1-NE2 3.09Å; M16-Q18 VanDerWaalsContact C-N 3.32Å; M16-Q18 PolarHBondContact O-N 2.87Å; Q18-R22 VanDerWaalsContact O-CB 3.3Å; Q18-R22 WeakPolarHBondContact O-CB 3.42Å; Q18-R22 PolarHBondContact O-N 3.33Å |
| 19 | S | 96.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 173.2 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | E15 M16 V17 E21 R22 D23 K130 | E15-S19 PolarHBondContact O-N 2.91Å; M16-S19 WeakPolarHBondContact O-CB 3.08Å; M16-S19 PolarHBondContact O-N 3.28Å; M16-S19 VanDerWaalsContact O-N 3.15Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.4Å; S19-E21 VanDerWaalsContact C-N 3.31Å; S19-E21 PolarHBondContact O-N 3.22Å; S19-R22 PolarHBondContact O-N 3.43Å; S19-D23 VanDerWaalsContact O-CB 3.23Å; S19-D23 WeakPolarHBondContact O-CB 3.49Å; S19-D23 PolarHBondContact O-N 3.44Å; S19-D23 VanDerWaalsContact O-OD2 3.11Å; S19-D23 PolarHBondContact OG-OD2 3.12Å; S19-K130 PolarHBondContact OG-NZ 3.47Å |
| 20 | L | 96.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 178.3 | -67.2 | 172.9 | 0 | 0 | 0 | 111.6 | M16 V17 H24 I25 V68 T126 L129 K130 L133 | M16-L20 HydrophobicContact CE-CD1 4.48Å; M16-L20 HydrophobicContact CG-CD1 4.15Å; M16-L20 HydrophobicContact CG-CG 4.48Å; M16-L20 WeakPolarHBondContact O-CG 3.06Å; M16-L20 PolarHBondContact O-N 2.97Å; V17-L20 PolarHBondContact O-N 3.08Å; L20-H24 PolarHBondContact O-N 3.07Å; L20-I25 PolarHBondContact O-N 2.85Å; L20-V68 HydrophobicContact CD1-CG1 4.43Å; L20-V68 HydrophobicContact CD1-CG2 4.47Å; L20-T126 HydrophobicContact CD2-CG2 4.34Å; L20-L129 HydrophobicContact CD1-CB 4.15Å; L20-L129 HydrophobicContact CD1-CD1 3.69Å; L20-L129 HydrophobicContact CD2-CB 4.08Å; L20-K130 HydrophobicContact CD2-CD 4.46Å; L20-K130 HydrophobicContact CD2-CG 3.54Å; L20-L133 HydrophobicContact CD2-CD1 4.08Å |
| 21 | E | 95.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -61.5 | -55.1 | 177.6 | -176.9 | -80.4 | 147.3 | 0 | 0 | 111.1 | V17 S19 D23 I25 R26 | V17-E21 WeakPolarHBondContact O-CB 3.42Å; V17-E21 PolarHBondContact O-N 2.03Å; S19-E21 VanDerWaalsContact C-N 3.31Å; S19-E21 PolarHBondContact O-N 3.22Å; E21-D23 PolarHBondContact O-N 3.37Å; E21-I25 PolarHBondContact O-N 3.01Å; E21-R26 WeakPolarHBondContact O-CB 3Å; E21-R26 PolarHBondContact O-N 2.93Å; E21-R26 WeakPolarHBondContact OE1-CB 3.35Å; E21-R26 IonicContact OE1-CZ 3.57Å; E21-R26 IonicContact OE1-NE 3.6Å; E21-R26 PolarHBondContact OE1-NE 2.91Å; E21-R26 IonicContact OE1-NH2 3.39Å; E21-R26 PolarHBondContact OE1-NH2 2.89Å; E21-R26 IonicContact OE2-CZ 3.55Å; E21-R26 IonicContact OE2-NE 3.6Å; E21-R26 IonicContact OE2-NH2 2.72Å; E21-R26 PolarHBondContact OE2-NH2 3.3Å |
| 22 | R | 96.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 59.4 Ų | 59.4 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -63.7 | -43.3 | -175.6 | -178.7 | -176 | 63.4 | -134.7 | -4.1 | 112.2 | Q18 S19 | Q18-R22 VanDerWaalsContact O-CB 3.3Å; Q18-R22 WeakPolarHBondContact O-CB 3.42Å; Q18-R22 PolarHBondContact O-N 3.33Å; S19-R22 PolarHBondContact O-N 3.43Å |
| 23 | D | 94.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -82.8 | -32.9 | -169.8 | -54.6 | -18.9 | 0 | 0 | 0 | 111.2 | S19 E21 N27 K130 | S19-D23 VanDerWaalsContact O-CB 3.23Å; S19-D23 WeakPolarHBondContact O-CB 3.49Å; S19-D23 PolarHBondContact O-N 3.44Å; S19-D23 VanDerWaalsContact O-OD2 3.11Å; S19-D23 PolarHBondContact OG-OD2 3.12Å; E21-D23 PolarHBondContact O-N 3.37Å; D23-N27 PolarHBondContact O-ND2 3.33Å; D23-K130 IonicContact OD2-NZ 2.88Å; D23-K130 PolarHBondContact OD2-NZ 3.33Å |
| 24 | H | 95.2 | Very high | 96.9 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -122.6 | -62.5 | -175.1 | -55.7 | -97.5 | 0 | 0 | 0 | 113.1 | L20 R26 N27 M28 K130 L133 D134 | L20-H24 PolarHBondContact O-N 3.07Å; H24-R26 VanDerWaalsContact C-N 3.32Å; H24-R26 PolarHBondContact O-N 3.02Å; H24-N27 WeakPolarHBondContact O-CB 3.27Å; H24-N27 PolarHBondContact O-N 3.02Å; H24-N27 VanDerWaalsContact O-N 3.09Å; H24-M28 WeakPolarHBondContact O-CG 2.95Å; H24-M28 PolarHBondContact O-N 3.01Å; H24-M28 VanDerWaalsContact O-N 3.1Å; H24-K130 WeakPolarHBondContact NE2-CG 3.49Å; H24-L133 HydrophobicContact CB-CB 4.36Å; H24-L133 HydrophobicContact CB-CD1 3.96Å; H24-D134 IonicContact CE1-OD1 3.03Å; H24-D134 PolarHBondContact CE1-OD1 2.95Å; H24-D134 IonicContact CE1-OD2 3.93Å; H24-D134 IonicContact ND1-OD1 3.58Å; H24-D134 PolarHBondContact ND1-OD1 3.21Å |
| 25 | I | 96.1 | Very high | 97 | Very high | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -60.7 | -40.3 | -167.3 | -54.2 | -61.2 | 0 | 0 | 0 | 112.1 | L20 E21 N27 M28 Q29 L61 A64 L133 | L20-I25 PolarHBondContact O-N 2.85Å; E21-I25 PolarHBondContact O-N 3.01Å; I25-N27 VanDerWaalsContact C-N 3.32Å; I25-N27 PolarHBondContact O-N 3.15Å; I25-M28 HydrophobicContact CD1-SD 4.42Å; I25-M28 WeakPolarHBondContact O-CB 3.44Å; I25-M28 PolarHBondContact O-N 3.45Å; I25-Q29 HydrophobicContact CG2-CG 4.39Å; I25-Q29 WeakPolarHBondContact O-CG 3.4Å; I25-Q29 PolarHBondContact O-N 2.84Å; I25-L61 HydrophobicContact CG2-CD1 3.82Å; I25-A64 HydrophobicContact CD1-CB 3.88Å; I25-L133 HydrophobicContact CD1-CD1 4.32Å; I25-L133 HydrophobicContact CD1-CD2 3.99Å |
| 26 | R | 97.3 | Very high | 97 | Very high | 129 Ų | 129 | 62.2 Ų | 62.2 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 178.7 | -165.9 | -178.6 | -62 | 178.1 | 1.6 | 112.5 | E21 H24 Q29 G30 | E21-R26 WeakPolarHBondContact O-CB 3Å; E21-R26 PolarHBondContact O-N 2.93Å; E21-R26 WeakPolarHBondContact OE1-CB 3.35Å; E21-R26 IonicContact OE1-CZ 3.57Å; E21-R26 IonicContact OE1-NE 3.6Å; E21-R26 PolarHBondContact OE1-NE 2.91Å; E21-R26 IonicContact OE1-NH2 3.39Å; E21-R26 PolarHBondContact OE1-NH2 2.89Å; E21-R26 IonicContact OE2-CZ 3.55Å; E21-R26 IonicContact OE2-NE 3.6Å; E21-R26 IonicContact OE2-NH2 2.72Å; E21-R26 PolarHBondContact OE2-NH2 3.3Å; H24-R26 VanDerWaalsContact C-N 3.32Å; H24-R26 PolarHBondContact O-N 3.02Å; R26-Q29 PolarHBondContact O-N 2.96Å; R26-G30 PolarHBondContact O-N 3.25Å |
| 27 | N | 96.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.1 | -70.6 | -48.4 | 0 | 0 | 0 | 110.9 | D23 H24 I25 G30 R31 | D23-N27 PolarHBondContact O-ND2 3.33Å; H24-N27 WeakPolarHBondContact O-CB 3.27Å; H24-N27 PolarHBondContact O-N 3.02Å; H24-N27 VanDerWaalsContact O-N 3.09Å; I25-N27 VanDerWaalsContact C-N 3.32Å; I25-N27 PolarHBondContact O-N 3.15Å; N27-G30 PolarHBondContact O-N 3.43Å; N27-R31 WeakPolarHBondContact O-CG 3.42Å; N27-R31 PolarHBondContact O-N 3.47Å |
| 28 | M | 97.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.9 | -61.3 | 178.5 | 67.3 | 0 | 0 | 111.5 | H24 I25 G30 R31 M32 P60 L61 A64 I136 | H24-M28 WeakPolarHBondContact O-CG 2.95Å; H24-M28 PolarHBondContact O-N 3.01Å; H24-M28 VanDerWaalsContact O-N 3.1Å; I25-M28 HydrophobicContact CD1-SD 4.42Å; I25-M28 WeakPolarHBondContact O-CB 3.44Å; I25-M28 PolarHBondContact O-N 3.45Å; M28-G30 PolarHBondContact O-N 3.18Å; M28-R31 PolarHBondContact O-N 3.04Å; M28-M32 WeakPolarHBondContact O-CB 3.45Å; M28-M32 PolarHBondContact O-N 3.35Å; M28-P60 HydrophobicContact CE-CB 4.21Å; M28-P60 VanDerWaalsContact CE-O 3.27Å; M28-P60 WeakPolarHBondContact CE-O 3.34Å; M28-L61 HydrophobicContact CB-CD1 3.99Å; M28-A64 HydrophobicContact CE-CB 3.43Å; M28-A64 VanDerWaalsContact CE-CB 3.43Å; M28-A64 HydrophobicContact SD-CB 3.73Å; M28-I136 HydrophobicContact CE-CG2 4.28Å |
| 29 | Q | 97.7 | Very high | 97.2 | Very high | 61 Ų | 61 | 62 Ų | 62 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 173.8 | -74.3 | 171.8 | -19.6 | 0 | 0 | 111.7 | I25 R26 R31 M32 F33 L61 | I25-Q29 HydrophobicContact CG2-CG 4.39Å; I25-Q29 WeakPolarHBondContact O-CG 3.4Å; I25-Q29 PolarHBondContact O-N 2.84Å; R26-Q29 PolarHBondContact O-N 2.96Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.84Å; Q29-M32 WeakPolarHBondContact O-CB 3.31Å; Q29-M32 PolarHBondContact O-N 3.09Å; Q29-F33 HydrophobicContact CB-CD2 4.48Å; Q29-F33 HydrophobicContact CB-CE2 4.26Å; Q29-F33 WeakPolarHBondContact O-CD2 3.45Å; Q29-F33 PolarHBondContact O-N 3.15Å; Q29-L61 HydrophobicContact CG-CD1 3.89Å; Q29-L61 HydrophobicContact CG-CD2 3.65Å; Q29-L61 HydrophobicContact CG-CG 4.45Å |
| 30 | G | 97.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 65 Ų | 65 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R26 N27 M28 K34 | R26-G30 PolarHBondContact O-N 3.25Å; N27-G30 PolarHBondContact O-N 3.43Å; M28-G30 PolarHBondContact O-N 3.18Å; G30-K34 WeakPolarHBondContact O-CB 3.32Å; G30-K34 PolarHBondContact O-N 3.19Å; G30-K34 VanDerWaalsContact O-N 3.12Å |
| 31 | R | 97.4 | Very high | 97.3 | Very high | 148 Ų | 148 | 67.8 Ų | 67.8 | 56% | 0.558 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.5 | -45.1 | 175.9 | -68.6 | 177.1 | -170.6 | -173.6 | 4.6 | 112.1 | N27 M28 Q29 F33 K34 C35 Q138 | N27-R31 WeakPolarHBondContact O-CG 3.42Å; N27-R31 PolarHBondContact O-N 3.47Å; M28-R31 PolarHBondContact O-N 3.04Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.84Å; R31-F33 PolarHBondContact O-N 3.14Å; R31-K34 PolarHBondContact O-N 3.24Å; R31-C35 VanDerWaalsContact O-CB 3.31Å; R31-C35 WeakPolarHBondContact O-CB 3.5Å; R31-C35 PolarHBondContact O-N 3.4Å; R31-Q138 VanDerWaalsContact NH1-CB 3.32Å |
| 32 | M | 98.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.049 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.3 | -52.1 | 177 | 178.7 | -150.1 | 77.6 | 0 | 0 | 110.9 | M28 Q29 K34 C35 S36 C57 H58 L61 | M28-M32 WeakPolarHBondContact O-CB 3.45Å; M28-M32 PolarHBondContact O-N 3.35Å; Q29-M32 WeakPolarHBondContact O-CB 3.31Å; Q29-M32 PolarHBondContact O-N 3.09Å; M32-K34 VanDerWaalsContact C-N 3.33Å; M32-K34 PolarHBondContact O-N 3.02Å; M32-C35 WeakPolarHBondContact O-CB 3.33Å; M32-C35 PolarHBondContact O-N 3.28Å; M32-S36 PolarHBondContact O-N 2.97Å; M32-S36 PolarHBondContact O-OG 2.84Å; M32-S36 VanDerWaalsContact O-OG 3.08Å; M32-C57 WeakPolarHBondContact CG-O 3.37Å; M32-H58 HydrophobicContact CG-CB 4.5Å; M32-H58 HydrophobicContact SD-CB 4.4Å; M32-H58 PolarHBondContact SD-CE1 3.48Å; M32-H58 PolarHBondContact SD-ND1 3.46Å; M32-L61 HydrophobicContact CE-CD2 4.49Å; M32-L61 HydrophobicContact SD-CB 4.45Å; M32-L61 HydrophobicContact SD-CD2 3.5Å; M32-L61 WeakPolarHBondContact SD-CD2 3.35Å |
| 33 | F | 98.4 | Very high | 97.3 | Very high | 132 Ų | 132 | 70.6 Ų | 70.6 | 58% | 0.579 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.6 | -39.9 | -179.7 | -72.9 | -57.3 | 0 | 0 | 0 | 112.5 | Q29 R31 S36 A37 | Q29-F33 HydrophobicContact CB-CD2 4.48Å; Q29-F33 HydrophobicContact CB-CE2 4.26Å; Q29-F33 WeakPolarHBondContact O-CD2 3.45Å; Q29-F33 PolarHBondContact O-N 3.15Å; R31-F33 PolarHBondContact O-N 3.14Å; F33-S36 PolarHBondContact O-N 3.24Å; F33-A37 WeakPolarHBondContact O-CB 3.38Å; F33-A37 PolarHBondContact O-N 3.24Å |
| 34 | K | 98.6 | Very high | 97.4 | Very high | 143 Ų | 143 | 72.8 Ų | 72.8 | 62% | 0.622 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.3 | -47.5 | 175.8 | -174.2 | 176.2 | 179.8 | 177 | 0 | 111.6 | G30 R31 M32 S36 A37 D38 | G30-K34 WeakPolarHBondContact O-CB 3.32Å; G30-K34 PolarHBondContact O-N 3.19Å; G30-K34 VanDerWaalsContact O-N 3.12Å; R31-K34 PolarHBondContact O-N 3.24Å; M32-K34 VanDerWaalsContact C-N 3.33Å; M32-K34 PolarHBondContact O-N 3.02Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.44Å; K34-A37 WeakPolarHBondContact O-CB 3.48Å; K34-A37 PolarHBondContact O-N 3.09Å; K34-D38 PolarHBondContact O-N 3.12Å |
| 35 | C | 98.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 73.7 Ų | 73.7 | 35% | 0.345 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | R31 M32 A37 D38 C39 C57 | R31-C35 VanDerWaalsContact O-CB 3.31Å; R31-C35 WeakPolarHBondContact O-CB 3.5Å; R31-C35 PolarHBondContact O-N 3.4Å; M32-C35 WeakPolarHBondContact O-CB 3.33Å; M32-C35 PolarHBondContact O-N 3.28Å; C35-A37 VanDerWaalsContact C-N 3.34Å; C35-A37 PolarHBondContact O-N 2.91Å; C35-D38 PolarHBondContact O-N 3.18Å; C35-C39 PolarHBondContact O-N 2.76Å; C35-C39 PolarHBondContact O-SG 3.5Å; C35-C57 HydrophobicContact CB-CB 3.63Å; C35-C57 WeakPolarHBondContact CB-SG 3.35Å; C35-C57 WeakPolarHBondContact SG-CB 3.41Å; C35-C57 CovalentContact SG-SG 2.04Å; C35-C57 PolarHBondContact SG-SG 3.19Å |
| 36 | S | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 75.7 Ų | 75.7 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.5 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | M32 F33 K34 C39 C40 H58 | M32-S36 PolarHBondContact O-N 2.97Å; M32-S36 PolarHBondContact O-OG 2.84Å; M32-S36 VanDerWaalsContact O-OG 3.08Å; F33-S36 PolarHBondContact O-N 3.24Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.44Å; S36-C39 WeakPolarHBondContact O-CB 3.49Å; S36-C39 PolarHBondContact O-N 3.45Å; S36-C40 PolarHBondContact O-N 3.01Å; S36-C40 VanDerWaalsContact O-N 3.12Å; S36-C40 PolarHBondContact O-SG 3.34Å; S36-C40 VanDerWaalsContact O-SG 3.33Å; S36-H58 PolarHBondContact OG-NE2 2.95Å |
| 37 | A | 98.4 | Very high | 97.5 | Very high | 59 Ų | 59 | 76.7 Ų | 76.7 | 49% | 0.488 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | F33 K34 C35 C39 C40 G41 | F33-A37 WeakPolarHBondContact O-CB 3.38Å; F33-A37 PolarHBondContact O-N 3.24Å; K34-A37 WeakPolarHBondContact O-CB 3.48Å; K34-A37 PolarHBondContact O-N 3.09Å; C35-A37 VanDerWaalsContact C-N 3.34Å; C35-A37 PolarHBondContact O-N 2.91Å; A37-C39 VanDerWaalsContact C-N 3.3Å; A37-C39 PolarHBondContact O-N 3.02Å; A37-C40 PolarHBondContact O-N 3.35Å; A37-G41 PolarHBondContact O-N 3.05Å; A37-G41 VanDerWaalsContact O-N 3.09Å |
| 38 | D | 98.3 | Very high | 97.6 | Very high | 95 Ų | 95 | 78.5 Ų | 78.5 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 176.4 | -67.6 | -22 | 0 | 0 | 0 | 111.7 | K34 C35 G41 | K34-D38 PolarHBondContact O-N 3.12Å; C35-D38 PolarHBondContact O-N 3.18Å; D38-G41 PolarHBondContact O-N 3.48Å |
| 39 | C | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 172 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | C35 S36 A37 G41 R42 C53 I54 | C35-C39 PolarHBondContact O-N 2.76Å; C35-C39 PolarHBondContact O-SG 3.5Å; S36-C39 WeakPolarHBondContact O-CB 3.49Å; S36-C39 PolarHBondContact O-N 3.45Å; A37-C39 VanDerWaalsContact C-N 3.3Å; A37-C39 PolarHBondContact O-N 3.02Å; C39-G41 PolarHBondContact O-N 2.76Å; C39-R42 PolarHBondContact O-N 3.47Å; C39-C53 HydrophobicContact CB-CB 3.66Å; C39-C53 WeakPolarHBondContact CB-SG 3.35Å; C39-C53 WeakPolarHBondContact SG-CB 3.38Å; C39-C53 CovalentContact SG-SG 2.03Å; C39-C53 PolarHBondContact SG-SG 2.96Å; C39-I54 HydrophobicContact CB-CG1 3.95Å |
| 40 | C | 97.6 | Very high | 97.7 | Very high | 85 Ų | 85 | 80.8 Ų | 80.8 | 57% | 0.574 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.8 | -24 | 179.1 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | S36 A37 R42 | S36-C40 PolarHBondContact O-N 3.01Å; S36-C40 VanDerWaalsContact O-N 3.12Å; S36-C40 PolarHBondContact O-SG 3.34Å; S36-C40 VanDerWaalsContact O-SG 3.33Å; A37-C40 PolarHBondContact O-N 3.35Å; C40-R42 VanDerWaalsContact C-N 3.28Å; C40-R42 PolarHBondContact O-N 3.49Å |
| 41 | G | 97.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 84 Ų | 84 | 62% | 0.619 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | A37 D38 C39 P43 | A37-G41 PolarHBondContact O-N 3.05Å; A37-G41 VanDerWaalsContact O-N 3.09Å; D38-G41 PolarHBondContact O-N 3.48Å; C39-G41 PolarHBondContact O-N 2.76Å; G41-P43 WeakPolarHBondContact O-CD 3.46Å |
| 42 | R | 96.7 | Very high | 97.7 | Very high | 117 Ų | 117 | 81.8 Ų | 81.8 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | trans | -88.9 | 103.6 | -175.1 | -63.6 | 175.9 | -170.5 | 179.2 | 4 | 111.4 | C39 C40 S44 D45 | C39-R42 PolarHBondContact O-N 3.47Å; C40-R42 VanDerWaalsContact C-N 3.28Å; C40-R42 PolarHBondContact O-N 3.49Å; R42-S44 VanDerWaalsContact C-N 3.28Å; R42-S44 PolarHBondContact O-N 3.17Å; R42-D45 HydrophobicContact CB-CB 4.01Å; R42-D45 WeakPolarHBondContact CD-OD2 3.38Å; R42-D45 IonicContact NH1-OD2 2.69Å; R42-D45 PolarHBondContact O-N 3.03Å | ||
| 43 | P | 94.9 | Very high | 97.7 | Very high | 133 Ų | 133 | 82.2 Ų | 82.2 | 86% | 0.864 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -19.5 | -172.1 | 31.2 | -36.8 | 0 | 0 | 0 | 113.7 | G41 | G41-P43 WeakPolarHBondContact O-CD 3.46Š|
| 44 | S | 96.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 78 Ų | 78 | 73% | 0.727 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -16.9 | 179.9 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | R42 | R42-S44 VanDerWaalsContact C-N 3.28Å; R42-S44 PolarHBondContact O-N 3.17Å |
| 45 | D | 97.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 77.4 Ų | 77.4 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -81 | 136 | -175 | -72.7 | 8.2 | 0 | 0 | 0 | 109.6 | R42 Q49 V50 | R42-D45 HydrophobicContact CB-CB 4.01Å; R42-D45 WeakPolarHBondContact CD-OD2 3.38Å; R42-D45 IonicContact NH1-OD2 2.69Å; R42-D45 PolarHBondContact O-N 3.03Å; D45-Q49 HydrophobicContact CB-CB 4.04Å; D45-V50 HydrophobicContact CB-CG2 3.83Å |
| 46 | S | 97.8 | Very high | 97.6 | Very high | 58 Ų | 58 | 82.7 Ų | 82.7 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | trans | -67 | 161.6 | 169.9 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | N48 Q49 V50 | S46-N48 PolarHBondContact O-N 2.99Å; S46-Q49 WeakPolarHBondContact O-CB 3.41Å; S46-Q49 PolarHBondContact O-N 3.48Å; S46-Q49 WeakPolarHBondContact OG-CG 3.32Å; S46-Q49 PolarHBondContact OG-N 2.66Å; S46-Q49 PolarHBondContact OG-OE1 3.31Å; S46-V50 PolarHBondContact O-N 3.18Å | ||
| 47 | M | 96.9 | Very high | 97.6 | Very high | 150 Ų | 150 | 82.6 Ų | 82.6 | 74% | 0.739 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -51.7 | -42.6 | 176.3 | -69.8 | -158.9 | -67.4 | 0 | 0 | 112.7 | Q49 V50 H51 | M47-Q49 PolarHBondContact O-N 3.4Å; M47-V50 PolarHBondContact O-N 3.46Å; M47-H51 PolarHBondContact O-N 3.15Å; M47-H51 PolarHBondContact O-ND1 3.2Å |
| 48 | N | 97.8 | Very high | 97.6 | Very high | 131 Ų | 131 | 83.4 Ų | 83.4 | 70% | 0.701 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.9 | -37.7 | -179.7 | -70.8 | -12.8 | 0 | 0 | 0 | 112.3 | S46 H51 Q52 | S46-N48 PolarHBondContact O-N 2.99Å; N48-H51 PolarHBondContact O-N 3.08Å; N48-Q52 WeakPolarHBondContact O-CB 3.4Å; N48-Q52 PolarHBondContact O-N 3.41Å |
| 49 | Q | 98.3 | Very high | 97.5 | Very high | 97 Ų | 97 | 82.1 Ų | 82.1 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176.8 | -72.2 | 166.2 | -64.7 | 0 | 0 | 111.3 | D45 S46 M47 Q52 C53 | D45-Q49 HydrophobicContact CB-CB 4.04Å; S46-Q49 WeakPolarHBondContact O-CB 3.41Å; S46-Q49 PolarHBondContact O-N 3.48Å; S46-Q49 WeakPolarHBondContact OG-CG 3.32Å; S46-Q49 PolarHBondContact OG-N 2.66Å; S46-Q49 PolarHBondContact OG-OE1 3.31Å; M47-Q49 PolarHBondContact O-N 3.4Å; Q49-Q52 PolarHBondContact O-N 3.19Å; Q49-C53 WeakPolarHBondContact O-CB 3.38Å; Q49-C53 PolarHBondContact O-N 3.26Å |
| 50 | V | 98.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 83 Ų | 83 | 14% | 0.139 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | D45 S46 M47 Q52 C53 I54 | D45-V50 HydrophobicContact CB-CG2 3.83Å; S46-V50 PolarHBondContact O-N 3.18Å; M47-V50 PolarHBondContact O-N 3.46Å; V50-Q52 PolarHBondContact O-N 2.85Å; V50-C53 WeakPolarHBondContact O-CB 3.16Å; V50-C53 PolarHBondContact O-N 2.94Å; V50-I54 HydrophobicContact CG1-CD1 3.92Å; V50-I54 WeakPolarHBondContact O-CG1 3.47Å; V50-I54 PolarHBondContact O-N 2.92Å |
| 51 | H | 97.6 | Very high | 97.5 | Very high | 112 Ų | 112 | 79.6 Ų | 79.6 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 177.6 | -74.9 | 90.5 | 0 | 0 | 0 | 111.8 | M47 N48 C53 I54 E55 | M47-H51 PolarHBondContact O-N 3.15Å; M47-H51 PolarHBondContact O-ND1 3.2Å; N48-H51 PolarHBondContact O-N 3.08Å; H51-C53 VanDerWaalsContact C-N 3.27Å; H51-C53 PolarHBondContact O-N 3.37Å; H51-I54 PolarHBondContact O-N 3.18Å; H51-E55 WeakPolarHBondContact O-CG 3.14Å; H51-E55 PolarHBondContact O-N 3.48Å |
| 52 | Q | 98.3 | Very high | 97.5 | Very high | 100 Ų | 100 | 79.5 Ų | 79.5 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.7 | -34.3 | 177.7 | -167.4 | -179.7 | 27.2 | 0 | 0 | 112.3 | N48 Q49 V50 R56 | N48-Q52 WeakPolarHBondContact O-CB 3.4Å; N48-Q52 PolarHBondContact O-N 3.41Å; Q49-Q52 PolarHBondContact O-N 3.19Å; V50-Q52 PolarHBondContact O-N 2.85Å; Q52-R56 VanDerWaalsContact NE2-NH2 3.19Å; Q52-R56 VanDerWaalsContact O-CG 3.28Å; Q52-R56 WeakPolarHBondContact O-CG 3.45Å; Q52-R56 PolarHBondContact O-N 3.09Å |
| 53 | C | 98.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 79 Ų | 79 | 14% | 0.135 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 111 | C39 Q49 V50 H51 R56 C57 | C39-C53 HydrophobicContact CB-CB 3.66Å; C39-C53 WeakPolarHBondContact CB-SG 3.35Å; C39-C53 WeakPolarHBondContact SG-CB 3.38Å; C39-C53 CovalentContact SG-SG 2.03Å; C39-C53 PolarHBondContact SG-SG 2.96Å; Q49-C53 WeakPolarHBondContact O-CB 3.38Å; Q49-C53 PolarHBondContact O-N 3.26Å; V50-C53 WeakPolarHBondContact O-CB 3.16Å; V50-C53 PolarHBondContact O-N 2.94Å; H51-C53 VanDerWaalsContact C-N 3.27Å; H51-C53 PolarHBondContact O-N 3.37Å; C53-R56 WeakPolarHBondContact O-CB 3.39Å; C53-R56 PolarHBondContact O-N 3.35Å; C53-C57 PolarHBondContact O-N 3.45Å; C53-C57 VanDerWaalsContact O-N 3.09Å; C53-C57 PolarHBondContact O-SG 3.27Å |
| 54 | I | 98.2 | Very high | 97.6 | Very high | 42 Ų | 42 | 72.6 Ų | 72.6 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 177.6 | -66.6 | 166.3 | 0 | 0 | 0 | 110.9 | C39 V50 H51 R56 C57 H58 | C39-I54 HydrophobicContact CB-CG1 3.95Å; V50-I54 HydrophobicContact CG1-CD1 3.92Å; V50-I54 WeakPolarHBondContact O-CG1 3.47Å; V50-I54 PolarHBondContact O-N 2.92Å; H51-I54 PolarHBondContact O-N 3.18Å; I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 2.87Å; I54-C57 VanDerWaalsContact O-CB 3.32Å; I54-C57 WeakPolarHBondContact O-CB 3.45Å; I54-C57 PolarHBondContact O-N 3.35Å; I54-H58 PolarHBondContact O-CD2 3.21Å; I54-H58 PolarHBondContact O-N 3.01Å; I54-H58 VanDerWaalsContact O-N 3.15Å |
| 55 | E | 97.8 | Very high | 97.5 | Very high | 132 Ų | 132 | 72 Ų | 72 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56 | -42.7 | 177.4 | -74.5 | 179 | 171 | 0 | 0 | 111.7 | H51 C57 H58 T59 | H51-E55 WeakPolarHBondContact O-CG 3.14Å; H51-E55 PolarHBondContact O-N 3.48Å; E55-C57 VanDerWaalsContact C-N 3.34Å; E55-C57 PolarHBondContact O-N 3.11Å; E55-H58 PolarHBondContact O-N 3.39Å; E55-H58 VanDerWaalsContact O-N 3.14Å; E55-T59 PolarHBondContact O-N 3.17Å; E55-T59 PolarHBondContact O-OG1 3.29Å |
| 56 | R | 97.8 | Very high | 97.5 | Very high | 161 Ų | 161 | 71.9 Ų | 71.9 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 175.9 | -69.6 | 172.3 | -170.6 | -168.8 | 6.3 | 112.4 | Q52 C53 I54 H58 T59 P60 | Q52-R56 VanDerWaalsContact NE2-NH2 3.19Å; Q52-R56 VanDerWaalsContact O-CG 3.28Å; Q52-R56 WeakPolarHBondContact O-CG 3.45Å; Q52-R56 PolarHBondContact O-N 3.09Å; C53-R56 WeakPolarHBondContact O-CB 3.39Å; C53-R56 PolarHBondContact O-N 3.35Å; I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 2.87Å; R56-H58 PolarHBondContact O-N 3.35Å; R56-T59 PolarHBondContact O-N 3.32Å; R56-P60 WeakPolarHBondContact O-CD 3.45Å |
| 57 | C | 98.1 | Very high | 97.5 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 8% | 0.081 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.6 | -32 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | M32 C35 C53 I54 E55 | M32-C57 WeakPolarHBondContact CG-O 3.37Å; C35-C57 HydrophobicContact CB-CB 3.63Å; C35-C57 WeakPolarHBondContact CB-SG 3.35Å; C35-C57 WeakPolarHBondContact SG-CB 3.41Å; C35-C57 CovalentContact SG-SG 2.04Å; C35-C57 PolarHBondContact SG-SG 3.19Å; C53-C57 PolarHBondContact O-N 3.45Å; C53-C57 VanDerWaalsContact O-N 3.09Å; C53-C57 PolarHBondContact O-SG 3.27Å; I54-C57 VanDerWaalsContact O-CB 3.32Å; I54-C57 WeakPolarHBondContact O-CB 3.45Å; I54-C57 PolarHBondContact O-N 3.35Å; E55-C57 VanDerWaalsContact C-N 3.34Å; E55-C57 PolarHBondContact O-N 3.11Å |
| 58 | H | 97.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 65.4 Ų | 65.4 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82.1 | -26.2 | -178.1 | -76.8 | -122.2 | 0 | 0 | 0 | 113.5 | M32 S36 I54 E55 R56 L61 A62 | M32-H58 HydrophobicContact CG-CB 4.5Å; M32-H58 HydrophobicContact SD-CB 4.4Å; M32-H58 PolarHBondContact SD-CE1 3.48Å; M32-H58 PolarHBondContact SD-ND1 3.46Å; S36-H58 PolarHBondContact OG-NE2 2.95Å; I54-H58 PolarHBondContact O-CD2 3.21Å; I54-H58 PolarHBondContact O-N 3.01Å; I54-H58 VanDerWaalsContact O-N 3.15Å; E55-H58 PolarHBondContact O-N 3.39Å; E55-H58 VanDerWaalsContact O-N 3.14Å; R56-H58 PolarHBondContact O-N 3.35Å; H58-L61 PolarHBondContact O-N 3.31Å; H58-L61 VanDerWaalsContact O-N 3.17Å; H58-A62 PolarHBondContact O-N 3.33Å |
| 59 | T | 97.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -51.4 | -49 | -175 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | E55 R56 L61 A62 Q63 | E55-T59 PolarHBondContact O-N 3.17Å; E55-T59 PolarHBondContact O-OG1 3.29Å; R56-T59 PolarHBondContact O-N 3.32Å; T59-L61 VanDerWaalsContact C-N 3.35Å; T59-L61 PolarHBondContact O-N 3Å; T59-A62 PolarHBondContact O-N 3.39Å; T59-Q63 HydrophobicContact CG2-CG 4.44Å; T59-Q63 WeakPolarHBondContact O-CG 3.5Å; T59-Q63 PolarHBondContact O-N 3Å |
| 60 | P | 97.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | -179.6 | -25.5 | 36.7 | 0 | 0 | 0 | 113 | M28 R56 Q63 A64 I136 P137 | M28-P60 HydrophobicContact CE-CB 4.21Å; M28-P60 VanDerWaalsContact CE-O 3.27Å; M28-P60 WeakPolarHBondContact CE-O 3.34Å; R56-P60 WeakPolarHBondContact O-CD 3.45Å; P60-Q63 PolarHBondContact O-N 3.5Å; P60-A64 WeakPolarHBondContact O-CB 3.41Å; P60-A64 PolarHBondContact O-N 2.92Å; P60-I136 HydrophobicContact CB-CG2 3.86Å; P60-P137 WeakPolarHBondContact CB-O 3.48Å; P60-P137 WeakPolarHBondContact CG-O 3.42Å |
| 61 | L | 97.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 178.4 | -178.9 | 65.3 | 0 | 0 | 0 | 111.5 | I25 M28 Q29 M32 H58 T59 Q63 A64 Q65 | I25-L61 HydrophobicContact CG2-CD1 3.82Å; M28-L61 HydrophobicContact CB-CD1 3.99Å; Q29-L61 HydrophobicContact CG-CD1 3.89Å; Q29-L61 HydrophobicContact CG-CD2 3.65Å; Q29-L61 HydrophobicContact CG-CG 4.45Å; M32-L61 HydrophobicContact CE-CD2 4.49Å; M32-L61 HydrophobicContact SD-CB 4.45Å; M32-L61 HydrophobicContact SD-CD2 3.5Å; M32-L61 WeakPolarHBondContact SD-CD2 3.35Å; H58-L61 PolarHBondContact O-N 3.31Å; H58-L61 VanDerWaalsContact O-N 3.17Å; T59-L61 VanDerWaalsContact C-N 3.35Å; T59-L61 PolarHBondContact O-N 3Å; L61-Q63 VanDerWaalsContact C-N 3.31Å; L61-Q63 PolarHBondContact O-N 3.43Å; L61-A64 PolarHBondContact O-N 3.33Å; L61-Q65 HydrophobicContact CD1-CG 4.32Å; L61-Q65 HydrophobicContact CG-CG 4.43Å; L61-Q65 WeakPolarHBondContact O-CB 3.28Å; L61-Q65 WeakPolarHBondContact O-CG 3.33Å; L61-Q65 PolarHBondContact O-N 2.98Å |
| 62 | A | 97 | Very high | 97.2 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 49% | 0.488 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | H58 T59 Q65 G66 | H58-A62 PolarHBondContact O-N 3.33Å; T59-A62 PolarHBondContact O-N 3.39Å; A62-Q65 PolarHBondContact O-N 2.81Å; A62-G66 PolarHBondContact O-N 3.15Å |
| 63 | Q | 97.2 | Very high | 97.1 | Very high | 105 Ų | 105 | 57.4 Ų | 57.4 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.1 | -72 | 174.8 | -7 | 0 | 0 | 111.8 | T59 P60 L61 G66 L67 I136 | T59-Q63 HydrophobicContact CG2-CG 4.44Å; T59-Q63 WeakPolarHBondContact O-CG 3.5Å; T59-Q63 PolarHBondContact O-N 3Å; P60-Q63 PolarHBondContact O-N 3.5Å; L61-Q63 VanDerWaalsContact C-N 3.31Å; L61-Q63 PolarHBondContact O-N 3.43Å; Q63-G66 PolarHBondContact O-N 3.28Å; Q63-L67 WeakPolarHBondContact O-CB 3.34Å; Q63-L67 PolarHBondContact O-N 2.92Å; Q63-I136 HydrophobicContact CB-CD1 4.42Å |
| 64 | A | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I25 M28 P60 L61 L67 V68 L133 I136 | I25-A64 HydrophobicContact CD1-CB 3.88Å; M28-A64 HydrophobicContact CE-CB 3.43Å; M28-A64 VanDerWaalsContact CE-CB 3.43Å; M28-A64 HydrophobicContact SD-CB 3.73Å; P60-A64 WeakPolarHBondContact O-CB 3.41Å; P60-A64 PolarHBondContact O-N 2.92Å; L61-A64 PolarHBondContact O-N 3.33Å; A64-L67 PolarHBondContact O-N 3.44Å; A64-V68 WeakPolarHBondContact O-CG2 3.49Å; A64-V68 PolarHBondContact O-N 3.46Å; A64-V68 VanDerWaalsContact O-N 3.11Å; A64-L133 HydrophobicContact CB-CD2 3.42Å; A64-L133 VanDerWaalsContact CB-CD2 3.42Å; A64-I136 HydrophobicContact CB-CD1 3.66Å |
| 65 | Q | 95.1 | Very high | 97 | Very high | 90 Ų | 90 | 60.5 Ų | 60.5 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.2 | -72.5 | 175.3 | -24.1 | 0 | 0 | 111.4 | L61 A62 L67 V68 T69 | L61-Q65 HydrophobicContact CD1-CG 4.32Å; L61-Q65 HydrophobicContact CG-CG 4.43Å; L61-Q65 WeakPolarHBondContact O-CB 3.28Å; L61-Q65 WeakPolarHBondContact O-CG 3.33Å; L61-Q65 PolarHBondContact O-N 2.98Å; A62-Q65 PolarHBondContact O-N 2.81Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 3.48Å; Q65-V68 PolarHBondContact O-N 3.17Å; Q65-T69 WeakPolarHBondContact O-CB 3.28Å; Q65-T69 PolarHBondContact O-N 2.8Å; Q65-T69 PolarHBondContact O-OG1 3.12Å |
| 66 | G | 96.5 | Very high | 96.9 | Very high | 41 Ų | 41 | 59.8 Ų | 59.8 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A62 Q63 S70 | A62-G66 PolarHBondContact O-N 3.15Å; Q63-G66 PolarHBondContact O-N 3.28Å; G66-S70 WeakPolarHBondContact O-CB 3.43Å; G66-S70 PolarHBondContact O-N 2.9Å |
| 67 | L | 96.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -50.7 | 176.5 | 178.8 | 74.2 | 0 | 0 | 0 | 112 | Q63 A64 Q65 S70 E71 L129 N132 L133 | Q63-L67 WeakPolarHBondContact O-CB 3.34Å; Q63-L67 PolarHBondContact O-N 2.92Å; A64-L67 PolarHBondContact O-N 3.44Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 3.48Å; L67-S70 PolarHBondContact O-N 3.45Å; L67-E71 PolarHBondContact O-N 3Å; L67-E71 VanDerWaalsContact O-N 3.08Å; L67-L129 HydrophobicContact CD2-CD2 4.16Å; L67-L129 HydrophobicContact CG-CD2 3.97Å; L67-N132 HydrophobicContact CD2-CB 3.39Å; L67-L133 HydrophobicContact CD2-CD2 4.37Å; L67-L133 HydrophobicContact CD2-CG 4.48Å |
| 68 | V | 96.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | -179.5 | 174 | 0 | 0 | 0 | 0 | 110.4 | L20 A64 Q65 S70 E71 L72 L129 L133 | L20-V68 HydrophobicContact CD1-CG1 4.43Å; L20-V68 HydrophobicContact CD1-CG2 4.47Å; A64-V68 WeakPolarHBondContact O-CG2 3.49Å; A64-V68 PolarHBondContact O-N 3.46Å; A64-V68 VanDerWaalsContact O-N 3.11Å; Q65-V68 PolarHBondContact O-N 3.17Å; V68-S70 PolarHBondContact O-N 3.19Å; V68-E71 PolarHBondContact O-N 3.49Å; V68-L72 HydrophobicContact CG1-CD1 3.92Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CB 3.39Å; V68-L72 VanDerWaalsContact O-CG 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.4Å; V68-L72 PolarHBondContact O-N 3.18Å; V68-L129 HydrophobicContact CG2-CD2 4.38Å; V68-L133 HydrophobicContact CG2-CD1 4.26Å; V68-L133 HydrophobicContact CG2-CD2 4.35Å |
| 69 | T | 96.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 177.8 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | Q65 E71 L72 E73 | Q65-T69 WeakPolarHBondContact O-CB 3.28Å; Q65-T69 PolarHBondContact O-N 2.8Å; Q65-T69 PolarHBondContact O-OG1 3.12Å; T69-E71 VanDerWaalsContact C-N 3.33Å; T69-E71 PolarHBondContact O-N 3.34Å; T69-L72 PolarHBondContact O-N 3.44Å; T69-E73 HydrophobicContact CG2-CG 4.37Å; T69-E73 WeakPolarHBondContact O-CG 3.4Å; T69-E73 PolarHBondContact O-N 3.33Å |
| 70 | S | 97.4 | Very high | 96.6 | Very high | 45 Ų | 45 | 59.2 Ų | 59.2 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | -179.5 | -176.3 | 0 | 0 | 0 | 0 | 112.8 | G66 L67 V68 K74 | G66-S70 WeakPolarHBondContact O-CB 3.43Å; G66-S70 PolarHBondContact O-N 2.9Å; L67-S70 PolarHBondContact O-N 3.45Å; V68-S70 PolarHBondContact O-N 3.19Å; S70-K74 VanDerWaalsContact O-CG 3.28Å; S70-K74 WeakPolarHBondContact O-CG 3.45Å; S70-K74 PolarHBondContact O-N 3.29Å; S70-K74 VanDerWaalsContact O-N 3.1Å |
| 71 | E | 96.8 | Very high | 96.6 | Very high | 36 Ų | 36 | 64 Ų | 64 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.1 | -39.3 | 178.8 | -166.5 | 70.9 | 176.5 | 0 | 0 | 111.6 | L67 V68 T69 K74 F75 M125 R128 L129 | L67-E71 PolarHBondContact O-N 3Å; L67-E71 VanDerWaalsContact O-N 3.08Å; V68-E71 PolarHBondContact O-N 3.49Å; T69-E71 VanDerWaalsContact C-N 3.33Å; T69-E71 PolarHBondContact O-N 3.34Å; E71-K74 PolarHBondContact O-N 3.06Å; E71-K74 IonicContact OE2-NZ 2.86Å; E71-F75 WeakPolarHBondContact O-CB 3.47Å; E71-F75 PolarHBondContact O-N 3.18Å; E71-M125 HydrophobicContact CG-CG 3.52Å; E71-M125 HydrophobicContact CG-SD 3.77Å; E71-R128 IonicContact OE1-CZ 3.01Å; E71-R128 IonicContact OE1-NH2 2.91Å; E71-R128 PolarHBondContact OE1-NH2 3.5Å; E71-L129 HydrophobicContact CB-CD1 4.23Å; E71-L129 HydrophobicContact CB-CD2 3.82Å; E71-L129 HydrophobicContact CB-CG 4.35Å; E71-L129 HydrophobicContact CG-CD1 4.08Å; E71-L129 HydrophobicContact CG-CD2 4.09Å; E71-L129 HydrophobicContact CG-CG 4.14Å |
| 72 | L | 96.2 | Very high | 96.6 | Very high | 26 Ų | 26 | 64.9 Ų | 64.9 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.6 | -72.4 | 176.2 | 0 | 0 | 0 | 112.5 | V13 M16 V17 V68 T69 F75 Q76 M125 | V13-L72 HydrophobicContact CG1-CD2 3.78Å; M16-L72 HydrophobicContact CE-CD2 3.4Å; M16-L72 HydrophobicContact CE-CG 4.49Å; V17-L72 HydrophobicContact CG2-CD1 3.74Å; V17-L72 HydrophobicContact CG2-CD2 4.21Å; V68-L72 HydrophobicContact CG1-CD1 3.92Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CB 3.39Å; V68-L72 VanDerWaalsContact O-CG 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.4Å; V68-L72 PolarHBondContact O-N 3.18Å; T69-L72 PolarHBondContact O-N 3.44Å; L72-F75 WeakPolarHBondContact O-CB 3.37Å; L72-F75 PolarHBondContact O-N 3.12Å; L72-Q76 WeakPolarHBondContact O-CG 3.39Å; L72-Q76 PolarHBondContact O-N 2.93Å; L72-M125 HydrophobicContact CD2-CE 4.47Å |
| 73 | E | 97.2 | Very high | 96.5 | Very high | 117 Ų | 117 | 64 Ų | 64 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 174.9 | -75.7 | 173.2 | 170.8 | 0 | 0 | 111.2 | T69 F75 Q76 D77 | T69-E73 HydrophobicContact CG2-CG 4.37Å; T69-E73 WeakPolarHBondContact O-CG 3.4Å; T69-E73 PolarHBondContact O-N 3.33Å; E73-F75 VanDerWaalsContact C-N 3.27Å; E73-F75 PolarHBondContact O-N 3.09Å; E73-Q76 PolarHBondContact O-N 3.14Å; E73-D77 VanDerWaalsContact O-CB 3.25Å; E73-D77 WeakPolarHBondContact O-CB 3.37Å; E73-D77 PolarHBondContact O-N 3.36Å |
| 74 | K | 97.1 | Very high | 96.5 | Very high | 114 Ų | 114 | 63.7 Ų | 63.7 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 175.9 | -71.3 | 168.7 | -168.6 | 165 | 0 | 111.9 | S70 E71 R78 | S70-K74 VanDerWaalsContact O-CG 3.28Å; S70-K74 WeakPolarHBondContact O-CG 3.45Å; S70-K74 PolarHBondContact O-N 3.29Å; S70-K74 VanDerWaalsContact O-N 3.1Å; E71-K74 PolarHBondContact O-N 3.06Å; E71-K74 IonicContact OE2-NZ 2.86Å; K74-R78 WeakPolarHBondContact O-CG 3.49Å; K74-R78 PolarHBondContact O-N 3.03Å; K74-R78 VanDerWaalsContact O-N 3.12Å |
| 75 | F | 96.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 68.5 Ų | 68.5 | 6% | 0.057 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 176.5 | 179.4 | -91.2 | 0 | 0 | 0 | 111.7 | V9 V13 E71 L72 E73 D77 R78 L79 H118 V122 M125 | V9-F75 HydrophobicContact CG2-CE1 3.85Å; V9-F75 HydrophobicContact CG2-CZ 4.07Å; V13-F75 HydrophobicContact CG2-CD1 4.22Å; V13-F75 HydrophobicContact CG2-CE1 3.68Å; V13-F75 HydrophobicContact CG2-CZ 4.29Å; E71-F75 WeakPolarHBondContact O-CB 3.47Å; E71-F75 PolarHBondContact O-N 3.18Å; L72-F75 WeakPolarHBondContact O-CB 3.37Å; L72-F75 PolarHBondContact O-N 3.12Å; E73-F75 VanDerWaalsContact C-N 3.27Å; E73-F75 PolarHBondContact O-N 3.09Å; F75-D77 PolarHBondContact O-N 3.24Å; F75-R78 PolarHBondContact O-N 3.18Å; F75-L79 PolarHBondContact O-N 2.81Å; F75-H118 HydrophobicContact CE2-CB 3.94Å; F75-H118 VanDerWaalsContact CE2-O 3.3Å; F75-H118 WeakPolarHBondContact CE2-O 3.44Å; F75-H118 HydrophobicContact CZ-CB 3.79Å; F75-V122 HydrophobicContact CE2-CG2 3.75Å; F75-V122 HydrophobicContact CZ-CG2 3.76Å; F75-M125 HydrophobicContact CB-SD 4Å; F75-M125 HydrophobicContact CD2-CE 4.15Å; F75-M125 HydrophobicContact CD2-SD 3.95Å; F75-M125 HydrophobicContact CG-CE 4.34Å; F75-M125 HydrophobicContact CG-SD 4.24Å |
| 76 | Q | 95.3 | Very high | 96.6 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 179.1 | -74.3 | 179.4 | 53 | 0 | 0 | 112.3 | L72 E73 L79 T80 | L72-Q76 WeakPolarHBondContact O-CG 3.39Å; L72-Q76 PolarHBondContact O-N 2.93Å; E73-Q76 PolarHBondContact O-N 3.14Å; Q76-L79 PolarHBondContact O-N 3.42Å; Q76-T80 WeakPolarHBondContact O-CB 3.33Å; Q76-T80 PolarHBondContact O-N 3.41Å; Q76-T80 PolarHBondContact O-OG1 2.7Å |
| 77 | D | 97.3 | Very high | 96.5 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.2 | 172.5 | 51.5 | 0 | 0 | 0 | 111.9 | E73 F75 T80 R81 | E73-D77 VanDerWaalsContact O-CB 3.25Å; E73-D77 WeakPolarHBondContact O-CB 3.37Å; E73-D77 PolarHBondContact O-N 3.36Å; F75-D77 PolarHBondContact O-N 3.24Å; D77-T80 PolarHBondContact O-N 3.44Å; D77-R81 PolarHBondContact O-N 3.08Å; D77-R81 IonicContact OD1-CZ 3.03Å; D77-R81 IonicContact OD1-NH1 3Å; D77-R81 PolarHBondContact OD1-NH1 3Å; D77-R81 IonicContact OD1-NH2 3.8Å; D77-R81 IonicContact OD2-CZ 2.82Å; D77-R81 IonicContact OD2-NH1 3.96Å; D77-R81 PolarHBondContact OD2-NH1 3.46Å; D77-R81 IonicContact OD2-NH2 2.7Å; D77-R81 PolarHBondContact OD2-NH2 3.02Å |
| 78 | R | 96.6 | Very high | 96.6 | Very high | 131 Ų | 131 | 67.9 Ų | 67.9 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 173.4 | -74.4 | -177.7 | 61.2 | -177.5 | -2.5 | 112.9 | K74 F75 T80 R81 C82 | K74-R78 WeakPolarHBondContact O-CG 3.49Å; K74-R78 PolarHBondContact O-N 3.03Å; K74-R78 VanDerWaalsContact O-N 3.12Å; F75-R78 PolarHBondContact O-N 3.18Å; R78-T80 VanDerWaalsContact C-N 3.35Å; R78-R81 PolarHBondContact O-N 3.41Å; R78-C82 PolarHBondContact O-N 2.97Å |
| 79 | L | 96.3 | Very high | 96.6 | Very high | 24 Ų | 24 | 71.4 Ų | 71.4 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 178.5 | 178.7 | 64.1 | 0 | 0 | 0 | 111.7 | V9 F75 Q76 C82 T83 V115 H118 | V9-L79 HydrophobicContact CB-CD2 4.43Å; V9-L79 HydrophobicContact CG1-CD2 3.99Å; V9-L79 HydrophobicContact CG2-CD2 3.86Å; F75-L79 PolarHBondContact O-N 2.81Å; Q76-L79 PolarHBondContact O-N 3.42Å; L79-C82 WeakPolarHBondContact O-CB 3.2Å; L79-C82 PolarHBondContact O-N 3.35Å; L79-T83 PolarHBondContact O-N 3.24Å; L79-T83 PolarHBondContact O-OG1 2.95Å; L79-V115 HydrophobicContact CD1-CG2 4.27Å; L79-H118 HydrophobicContact CD1-CB 4.11Å; L79-H118 PolarHBondContact N-NE2 3.48Å |
| 80 | T | 95.5 | Very high | 96.6 | Very high | 76 Ų | 76 | 68.5 Ų | 68.5 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | Q76 D77 R78 C82 T83 M84 | Q76-T80 WeakPolarHBondContact O-CB 3.33Å; Q76-T80 PolarHBondContact O-N 3.41Å; Q76-T80 PolarHBondContact O-OG1 2.7Å; D77-T80 PolarHBondContact O-N 3.44Å; R78-T80 VanDerWaalsContact C-N 3.35Å; T80-C82 VanDerWaalsContact C-N 3.33Å; T80-C82 PolarHBondContact O-N 2.97Å; T80-T83 PolarHBondContact O-N 3.49Å; T80-M84 HydrophobicContact CG2-CE 4.32Å; T80-M84 WeakPolarHBondContact O-CG 3.25Å; T80-M84 PolarHBondContact O-N 3.4Å |
| 81 | R | 97.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 72.6 Ų | 72.6 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 173.9 | -78.4 | -165 | -68.2 | -91.5 | -8.6 | 113.3 | D77 R78 T83 M84 H85 | D77-R81 PolarHBondContact O-N 3.08Å; D77-R81 IonicContact OD1-CZ 3.03Å; D77-R81 IonicContact OD1-NH1 3Å; D77-R81 PolarHBondContact OD1-NH1 3Å; D77-R81 IonicContact OD1-NH2 3.8Å; D77-R81 IonicContact OD2-CZ 2.82Å; D77-R81 IonicContact OD2-NH1 3.96Å; D77-R81 PolarHBondContact OD2-NH1 3.46Å; D77-R81 IonicContact OD2-NH2 2.7Å; D77-R81 PolarHBondContact OD2-NH2 3.02Å; R78-R81 PolarHBondContact O-N 3.41Å; R81-T83 VanDerWaalsContact C-N 3.31Å; R81-T83 PolarHBondContact O-N 3.03Å; R81-M84 HydrophobicContact CB-CE 4.35Å; R81-M84 HydrophobicContact CG-CE 3.82Å; R81-M84 PolarHBondContact O-N 3.07Å; R81-H85 PolarHBondContact O-N 2.94Å |
| 82 | C | 97.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 75.9 Ų | 75.9 | 22% | 0.216 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 176.5 | -162.5 | 0 | 0 | 0 | 0 | 111.2 | R78 L79 T80 H85 C86 C114 | R78-C82 PolarHBondContact O-N 2.97Å; L79-C82 WeakPolarHBondContact O-CB 3.2Å; L79-C82 PolarHBondContact O-N 3.35Å; T80-C82 VanDerWaalsContact C-N 3.33Å; T80-C82 PolarHBondContact O-N 2.97Å; C82-H85 PolarHBondContact O-N 3.35Å; C82-C86 PolarHBondContact O-N 3.47Å; C82-C86 VanDerWaalsContact O-N 3.16Å; C82-C86 PolarHBondContact O-SG 3.3Å; C82-C114 HydrophobicContact CB-CB 3.82Å; C82-C114 WeakPolarHBondContact CB-SG 3.31Å; C82-C114 PolarHBondContact O-SG 3.31Å; C82-C114 VanDerWaalsContact O-SG 3.4Å; C82-C114 VanDerWaalsContact SG-CA 3.58Å; C82-C114 WeakPolarHBondContact SG-CB 3.33Å; C82-C114 CovalentContact SG-SG 2.04Å; C82-C114 PolarHBondContact SG-SG 2.99Å |
| 83 | T | 95.1 | Very high | 96.6 | Very high | 41 Ų | 41 | 77 Ų | 77 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.5 | -53.6 | 0 | 0 | 0 | 0 | 112 | L79 T80 R81 H85 C86 N87 V111 | L79-T83 PolarHBondContact O-N 3.24Å; L79-T83 PolarHBondContact O-OG1 2.95Å; T80-T83 PolarHBondContact O-N 3.49Å; R81-T83 VanDerWaalsContact C-N 3.31Å; R81-T83 PolarHBondContact O-N 3.03Å; T83-H85 VanDerWaalsContact C-N 3.34Å; T83-H85 PolarHBondContact O-N 3.31Å; T83-C86 WeakPolarHBondContact O-CB 3.31Å; T83-C86 PolarHBondContact O-N 3.02Å; T83-C86 VanDerWaalsContact O-N 3.13Å; T83-N87 PolarHBondContact O-N 3.05Å; T83-N87 PolarHBondContact O-ND2 3.38Å; T83-V111 HydrophobicContact CG2-CG2 4.16Å |
| 84 | M | 96.2 | Very high | 96.6 | Very high | 97 Ų | 97 | 76.6 Ų | 76.6 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 174.2 | -71.8 | -169.9 | -62.2 | 0 | 0 | 111.7 | T80 R81 C86 N87 D88 | T80-M84 HydrophobicContact CG2-CE 4.32Å; T80-M84 WeakPolarHBondContact O-CG 3.25Å; T80-M84 PolarHBondContact O-N 3.4Å; R81-M84 HydrophobicContact CB-CE 4.35Å; R81-M84 HydrophobicContact CG-CE 3.82Å; R81-M84 PolarHBondContact O-N 3.07Å; M84-C86 PolarHBondContact O-N 3.36Å; M84-N87 WeakPolarHBondContact O-CA 3.43Å; M84-N87 VanDerWaalsContact O-CB 3.29Å; M84-N87 WeakPolarHBondContact O-CB 3.46Å; M84-N87 PolarHBondContact O-N 3.38Å; M84-D88 PolarHBondContact O-N 3.01Å |
| 85 | H | 97.5 | Very high | 96.5 | Very high | 101 Ų | 101 | 76.3 Ų | 76.3 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -30.9 | 175.2 | 176.5 | -115.3 | 0 | 0 | 0 | 112.9 | R81 C82 T83 K89 | R81-H85 PolarHBondContact O-N 2.94Å; C82-H85 PolarHBondContact O-N 3.35Å; T83-H85 VanDerWaalsContact C-N 3.34Å; T83-H85 PolarHBondContact O-N 3.31Å; H85-K89 WeakPolarHBondContact CE1-CE 3.39Å; H85-K89 PolarHBondContact CE1-NZ 3.23Å; H85-K89 VanDerWaalsContact CE1-NZ 3.3Å; H85-K89 WeakPolarHBondContact O-CG 3.27Å; H85-K89 PolarHBondContact O-N 3.03Å; H85-K89 VanDerWaalsContact O-N 3.13Å |
| 86 | C | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 170.1 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | C82 T83 M84 D88 K89 A90 M107 C110 V111 C114 | C82-C86 PolarHBondContact O-N 3.47Å; C82-C86 VanDerWaalsContact O-N 3.16Å; C82-C86 PolarHBondContact O-SG 3.3Å; T83-C86 WeakPolarHBondContact O-CB 3.31Å; T83-C86 PolarHBondContact O-N 3.02Å; T83-C86 VanDerWaalsContact O-N 3.13Å; M84-C86 PolarHBondContact O-N 3.36Å; C86-D88 VanDerWaalsContact C-N 3.34Å; C86-K89 PolarHBondContact O-N 2.99Å; C86-A90 WeakPolarHBondContact O-CB 3.49Å; C86-A90 PolarHBondContact O-N 2.85Å; C86-M107 HydrophobicContact CB-CE 4.37Å; C86-M107 HydrophobicContact CB-SD 3.88Å; C86-C110 WeakPolarHBondContact CA-SG 3.38Å; C86-C110 HydrophobicContact CB-CB 3.68Å; C86-C110 WeakPolarHBondContact CB-SG 3.42Å; C86-C110 WeakPolarHBondContact SG-CB 3.44Å; C86-C110 PolarHBondContact SG-O 3.02Å; C86-C110 CovalentContact SG-SG 2.04Å; C86-C110 PolarHBondContact SG-SG 3.48Å; C86-V111 HydrophobicContact CB-CG2 4.01Å; C86-C114 VanDerWaalsContact SG-SG 3.62Å |
| 87 | N | 95.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 77.4 Ų | 77.4 | 43% | 0.428 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 173.8 | -71.9 | -49.4 | 0 | 0 | 0 | 111.2 | T83 M84 K89 A90 K91 M107 | T83-N87 PolarHBondContact O-N 3.05Å; T83-N87 PolarHBondContact O-ND2 3.38Å; M84-N87 WeakPolarHBondContact O-CA 3.43Å; M84-N87 VanDerWaalsContact O-CB 3.29Å; M84-N87 WeakPolarHBondContact O-CB 3.46Å; M84-N87 PolarHBondContact O-N 3.38Å; N87-K89 PolarHBondContact O-N 3.47Å; N87-A90 PolarHBondContact O-N 3.48Å; N87-K91 WeakPolarHBondContact O-CB 3.39Å; N87-K91 PolarHBondContact O-N 3.27Å; N87-M107 WeakPolarHBondContact OD1-CE 3.02Å |
| 88 | D | 97.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 75.6 Ų | 75.6 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 178.3 | -63.1 | -28.7 | 0 | 0 | 0 | 110.8 | M84 C86 A90 K91 D92 | M84-D88 PolarHBondContact O-N 3.01Å; C86-D88 VanDerWaalsContact C-N 3.34Å; D88-A90 VanDerWaalsContact C-N 3.31Å; D88-A90 PolarHBondContact O-N 2.89Å; D88-K91 WeakPolarHBondContact O-CB 3.48Å; D88-K91 PolarHBondContact O-N 3.36Å; D88-K91 VanDerWaalsContact O-N 3.13Å; D88-D92 VanDerWaalsContact O-CG 3.3Å; D88-D92 PolarHBondContact O-N 2.82Å |
| 89 | K | 97.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 77.5 Ų | 77.5 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 175.1 | -74.9 | 178.4 | 171.8 | 178.1 | 0 | 113.5 | H85 C86 N87 K91 L93 L106 | H85-K89 WeakPolarHBondContact CE1-CE 3.39Å; H85-K89 PolarHBondContact CE1-NZ 3.23Å; H85-K89 VanDerWaalsContact CE1-NZ 3.3Å; H85-K89 WeakPolarHBondContact O-CG 3.27Å; H85-K89 PolarHBondContact O-N 3.03Å; H85-K89 VanDerWaalsContact O-N 3.13Å; C86-K89 PolarHBondContact O-N 2.99Å; N87-K89 PolarHBondContact O-N 3.47Å; K89-K91 VanDerWaalsContact C-N 3.34Å; K89-L93 WeakPolarHBondContact O-CB 3.49Å; K89-L93 PolarHBondContact O-N 2.92Å; K89-L106 HydrophobicContact CB-CD2 4.32Å |
| 90 | A | 96.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 81.6 Ų | 81.6 | 8% | 0.083 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | C86 N87 D88 L93 F94 V103 M107 | C86-A90 WeakPolarHBondContact O-CB 3.49Å; C86-A90 PolarHBondContact O-N 2.85Å; N87-A90 PolarHBondContact O-N 3.48Å; D88-A90 VanDerWaalsContact C-N 3.31Å; D88-A90 PolarHBondContact O-N 2.89Å; A90-L93 PolarHBondContact O-N 3.3Å; A90-F94 WeakPolarHBondContact O-CB 3.47Å; A90-F94 PolarHBondContact O-N 2.83Å; A90-V103 HydrophobicContact CB-CG1 3.98Å; A90-V103 WeakPolarHBondContact O-CG1 3.35Å; A90-M107 HydrophobicContact CB-CB 4.23Å; A90-M107 HydrophobicContact CB-SD 4.08Å |
| 91 | K | 96.1 | Very high | 96.3 | Very high | 131 Ų | 131 | 82.6 Ų | 82.6 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.8 | -48.6 | 175.7 | -173 | -179.3 | 176.9 | -174.4 | 0 | 111.7 | N87 D88 K89 L93 F94 D95 | N87-K91 WeakPolarHBondContact O-CB 3.39Å; N87-K91 PolarHBondContact O-N 3.27Å; D88-K91 WeakPolarHBondContact O-CB 3.48Å; D88-K91 PolarHBondContact O-N 3.36Å; D88-K91 VanDerWaalsContact O-N 3.13Å; K89-K91 VanDerWaalsContact C-N 3.34Å; K91-L93 VanDerWaalsContact C-N 3.27Å; K91-L93 PolarHBondContact O-N 2.94Å; K91-F94 WeakPolarHBondContact O-CB 3.3Å; K91-F94 PolarHBondContact O-N 2.73Å; K91-F94 VanDerWaalsContact O-N 3.07Å; K91-D95 PolarHBondContact O-N 3.07Å |
| 92 | D | 97.4 | Very high | 96.2 | Very high | 106 Ų | 106 | 79.2 Ų | 79.2 | 57% | 0.567 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.2 | -41.7 | 177 | -67.2 | -18.3 | 0 | 0 | 0 | 111.5 | D88 D95 S96 | D88-D92 VanDerWaalsContact O-CG 3.3Å; D88-D92 PolarHBondContact O-N 2.82Å; D92-D95 PolarHBondContact O-N 3.01Å; D92-S96 PolarHBondContact O-N 3.34Å |
| 93 | L | 97 | Very high | 96.1 | Very high | 50 Ų | 50 | 78.6 Ų | 78.6 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.6 | -174.8 | 66.1 | 0 | 0 | 0 | 111.5 | K89 A90 K91 S96 S98 V103 L106 | K89-L93 WeakPolarHBondContact O-CB 3.49Å; K89-L93 PolarHBondContact O-N 2.92Å; A90-L93 PolarHBondContact O-N 3.3Å; K91-L93 VanDerWaalsContact C-N 3.27Å; K91-L93 PolarHBondContact O-N 2.94Å; L93-S96 PolarHBondContact O-N 3.33Å; L93-S96 PolarHBondContact O-OG 3.35Å; L93-S98 WeakPolarHBondContact CD1-OG 3.5Å; L93-S98 WeakPolarHBondContact O-CB 3.28Å; L93-S98 PolarHBondContact O-N 3Å; L93-S98 PolarHBondContact O-OG 3.23Å; L93-V103 HydrophobicContact CB-CG2 4.39Å; L93-V103 HydrophobicContact CD2-CG2 4.13Å; L93-V103 HydrophobicContact CG-CG2 4.11Å; L93-L106 HydrophobicContact CB-CD2 3.94Å; L93-L106 HydrophobicContact CD2-CB 3.97Å; L93-L106 HydrophobicContact CD2-CD2 3.52Å; L93-L106 HydrophobicContact CD2-CG 4.36Å; L93-L106 HydrophobicContact CG-CD2 4.3Å |
| 94 | F | 95.9 | Very high | 96 | Very high | 107 Ų | 107 | 84.7 Ų | 84.7 | 47% | 0.469 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 175.4 | -176.8 | -96.6 | 0 | 0 | 0 | 111.7 | A90 K91 S96 G97 E100 V103 | A90-F94 WeakPolarHBondContact O-CB 3.47Å; A90-F94 PolarHBondContact O-N 2.83Å; K91-F94 WeakPolarHBondContact O-CB 3.3Å; K91-F94 PolarHBondContact O-N 2.73Å; K91-F94 VanDerWaalsContact O-N 3.07Å; F94-S96 PolarHBondContact O-N 3.42Å; F94-G97 PolarHBondContact O-N 3.36Å; F94-E100 HydrophobicContact CE2-CG 4.36Å; F94-V103 HydrophobicContact CB-CG1 4.38Å; F94-V103 HydrophobicContact CB-CG2 3.94Å; F94-V103 HydrophobicContact CD2-CG2 4.27Å |
| 95 | D | 96.2 | Very high | 96 | Very high | 109 Ų | 109 | 82.3 Ų | 82.3 | 58% | 0.583 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.9 | -25.5 | -179.4 | -69.3 | -14.2 | 0 | 0 | 0 | 112.3 | K91 D92 G97 | K91-D95 PolarHBondContact O-N 3.07Å; D92-D95 PolarHBondContact O-N 3.01Å; D95-G97 PolarHBondContact O-N 3.1Å |
| 96 | S | 96.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 79.7 Ų | 79.7 | 59% | 0.587 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -1.5 | 171.8 | 77.9 | 0 | 0 | 0 | 0 | 114.9 | D92 L93 F94 S98 | D92-S96 PolarHBondContact O-N 3.34Å; L93-S96 PolarHBondContact O-N 3.33Å; L93-S96 PolarHBondContact O-OG 3.35Å; F94-S96 PolarHBondContact O-N 3.42Å; S96-S98 PolarHBondContact OG-OG 2.95Å |
| 97 | G | 95.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 81.7 Ų | 81.7 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 12.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F94 D95 | F94-G97 PolarHBondContact O-N 3.36Å; D95-G97 PolarHBondContact O-N 3.1Å |
| 98 | S | 96.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 80.5 Ų | 80.5 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | trans | -70.5 | 143.7 | 175.9 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | L93 S96 | L93-S98 WeakPolarHBondContact CD1-OG 3.5Å; L93-S98 WeakPolarHBondContact O-CB 3.28Å; L93-S98 PolarHBondContact O-N 3Å; L93-S98 PolarHBondContact O-OG 3.23Å; S96-S98 PolarHBondContact OG-OG 2.95Å | ||
| 99 | K | 95.6 | Very high | 95.6 | Very high | 172 Ų | 172 | 83.6 Ų | 83.6 | 75% | 0.748 | 44% | 0.437 | S | S | * | . | trans | -68.4 | 148.3 | 179 | -59.4 | -174.4 | -179.4 | -178.8 | 0 | 111.6 | P101 A102 V103 | K99-P101 VanDerWaalsContact C-N 3.31Å; K99-P101 VanDerWaalsContact O-N 3.11Å; K99-A102 WeakPolarHBondContact O-CB 3.47Å; K99-A102 PolarHBondContact O-N 3.48Å; K99-V103 PolarHBondContact O-N 3.29Å | ||
| 100 | E | 93.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 80.3 Ų | 80.3 | 51% | 0.514 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -47.5 | -40.5 | 179.3 | -62.8 | -171.6 | 153 | 0 | 0 | 115.4 | F94 A102 V103 R104 | F94-E100 HydrophobicContact CE2-CG 4.36Å; E100-A102 VanDerWaalsContact C-N 3.3Å; E100-A102 PolarHBondContact O-N 2.9Å; E100-V103 PolarHBondContact O-N 3.01Å; E100-R104 WeakPolarHBondContact O-CG 3.33Å; E100-R104 PolarHBondContact O-N 3.04Å; E100-R104 IonicContact OE2-NH2 3.61Å |
| 101 | P | 95.5 | Very high | 95.6 | Very high | 96 Ų | 96 | 80.5 Ų | 80.5 | 62% | 0.623 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.5 | -36.2 | 179 | -24 | 35.9 | 0 | 0 | 0 | 113.2 | K99 S105 | K99-P101 VanDerWaalsContact C-N 3.31Å; K99-P101 VanDerWaalsContact O-N 3.11Å; P101-S105 VanDerWaalsContact O-CB 3.29Å; P101-S105 WeakPolarHBondContact O-CB 3.35Å; P101-S105 PolarHBondContact O-N 3.38Å |
| 102 | A | 94.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 74.6 Ų | 74.6 | 40% | 0.397 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | K99 E100 S105 L106 | K99-A102 WeakPolarHBondContact O-CB 3.47Å; K99-A102 PolarHBondContact O-N 3.48Å; E100-A102 VanDerWaalsContact C-N 3.3Å; E100-A102 PolarHBondContact O-N 2.9Å; A102-S105 PolarHBondContact O-N 3.24Å; A102-L106 PolarHBondContact O-N 3.47Å |
| 103 | V | 96.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 72.4 Ų | 72.4 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | A90 L93 F94 K99 E100 S105 L106 M107 | A90-V103 HydrophobicContact CB-CG1 3.98Å; A90-V103 WeakPolarHBondContact O-CG1 3.35Å; L93-V103 HydrophobicContact CB-CG2 4.39Å; L93-V103 HydrophobicContact CD2-CG2 4.13Å; L93-V103 HydrophobicContact CG-CG2 4.11Å; F94-V103 HydrophobicContact CB-CG1 4.38Å; F94-V103 HydrophobicContact CB-CG2 3.94Å; F94-V103 HydrophobicContact CD2-CG2 4.27Å; K99-V103 PolarHBondContact O-N 3.29Å; E100-V103 PolarHBondContact O-N 3.01Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 3.01Å; V103-L106 PolarHBondContact O-N 3.45Å; V103-M107 WeakPolarHBondContact O-CB 3.35Å; V103-M107 PolarHBondContact O-N 2.04Å |
| 104 | R | 93.6 | Very high | 95.6 | Very high | 169 Ų | 169 | 70.3 Ų | 70.3 | 64% | 0.638 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 175.9 | -72.4 | -179.7 | -174.6 | 168.3 | 8.4 | 112 | E100 M107 D108 | E100-R104 WeakPolarHBondContact O-CG 3.33Å; E100-R104 PolarHBondContact O-N 3.04Å; E100-R104 IonicContact OE2-NH2 3.61Å; R104-M107 PolarHBondContact O-N 3.4Å; R104-D108 PolarHBondContact O-N 3.22Å |
| 105 | S | 95 | Very high | 95.6 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 178.6 | -173 | 0 | 0 | 0 | 0 | 112.6 | P101 A102 V103 R109 | P101-S105 VanDerWaalsContact O-CB 3.29Å; P101-S105 WeakPolarHBondContact O-CB 3.35Å; P101-S105 PolarHBondContact O-N 3.38Å; A102-S105 PolarHBondContact O-N 3.24Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 3.01Å; S105-R109 WeakPolarHBondContact O-CG 3.34Å; S105-R109 PolarHBondContact O-N 3.37Å; S105-R109 PolarHBondContact OG-NH1 3.3Å |
| 106 | L | 95.4 | Very high | 95.6 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 172.4 | 173.5 | 65.6 | 0 | 0 | 0 | 111 | K89 L93 A102 V103 D108 R109 C110 | K89-L106 HydrophobicContact CB-CD2 4.32Å; L93-L106 HydrophobicContact CB-CD2 3.94Å; L93-L106 HydrophobicContact CD2-CB 3.97Å; L93-L106 HydrophobicContact CD2-CD2 3.52Å; L93-L106 HydrophobicContact CD2-CG 4.36Å; L93-L106 HydrophobicContact CG-CD2 4.3Å; A102-L106 PolarHBondContact O-N 3.47Å; V103-L106 PolarHBondContact O-N 3.45Å; L106-D108 PolarHBondContact O-N 2.99Å; L106-R109 PolarHBondContact O-N 3.12Å; L106-C110 VanDerWaalsContact O-CB 3.31Å; L106-C110 WeakPolarHBondContact O-CB 3.1Å; L106-C110 PolarHBondContact O-N 3.39Å |
| 107 | M | 94.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 63.5 Ų | 63.5 | 21% | 0.212 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -48.8 | -177.8 | -175.5 | 59.7 | -177.3 | 0 | 0 | 111.3 | C86 N87 A90 V103 R104 R109 C110 V111 | C86-M107 HydrophobicContact CB-CE 4.37Å; C86-M107 HydrophobicContact CB-SD 3.88Å; N87-M107 WeakPolarHBondContact OD1-CE 3.02Å; A90-M107 HydrophobicContact CB-CB 4.23Å; A90-M107 HydrophobicContact CB-SD 4.08Å; V103-M107 WeakPolarHBondContact O-CB 3.35Å; V103-M107 PolarHBondContact O-N 2.04Å; R104-M107 PolarHBondContact O-N 3.4Å; M107-R109 PolarHBondContact O-N 2.78Å; M107-C110 PolarHBondContact O-N 3.48Å; M107-V111 HydrophobicContact CE-CG2 3.6Å; M107-V111 WeakPolarHBondContact O-CG2 3.44Å; M107-V111 PolarHBondContact O-N 2.9Å; M107-V111 HydrophobicContact SD-CG2 4.08Å |
| 108 | D | 94.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | -179.5 | -174.9 | 58 | 0 | 0 | 0 | 112.5 | H5 R104 L106 C110 G112 | H5-D108 IonicContact CD2-OD1 3.32Å; H5-D108 IonicContact NE2-OD1 3.97Å; H5-D108 PolarHBondContact NE2-OD1 3.19Å; R104-D108 PolarHBondContact O-N 3.22Å; L106-D108 PolarHBondContact O-N 2.99Å; D108-C110 PolarHBondContact O-N 3.46Å; D108-G112 PolarHBondContact O-N 2.95Å |
| 109 | R | 95.8 | Very high | 95.7 | Very high | 156 Ų | 156 | 60.6 Ų | 60.6 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 176 | -73.9 | -169.9 | -63.7 | -99.9 | -7.7 | 112.5 | S105 L106 M107 G112 S113 | S105-R109 WeakPolarHBondContact O-CG 3.34Å; S105-R109 PolarHBondContact O-N 3.37Å; S105-R109 PolarHBondContact OG-NH1 3.3Å; L106-R109 PolarHBondContact O-N 3.12Å; M107-R109 PolarHBondContact O-N 2.78Å; R109-G112 PolarHBondContact O-N 3.23Å; R109-S113 PolarHBondContact O-N 2.98Å |
| 110 | C | 97.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -48.3 | -178.8 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | C86 L106 M107 D108 G112 S113 C114 | C86-C110 WeakPolarHBondContact CA-SG 3.38Å; C86-C110 HydrophobicContact CB-CB 3.68Å; C86-C110 WeakPolarHBondContact CB-SG 3.42Å; C86-C110 WeakPolarHBondContact SG-CB 3.44Å; C86-C110 PolarHBondContact SG-O 3.02Å; C86-C110 CovalentContact SG-SG 2.04Å; C86-C110 PolarHBondContact SG-SG 3.48Å; L106-C110 VanDerWaalsContact O-CB 3.31Å; L106-C110 WeakPolarHBondContact O-CB 3.1Å; L106-C110 PolarHBondContact O-N 3.39Å; M107-C110 PolarHBondContact O-N 3.48Å; D108-C110 PolarHBondContact O-N 3.46Å; C110-G112 VanDerWaalsContact C-N 3.34Å; C110-G112 PolarHBondContact O-N 3.48Å; C110-S113 PolarHBondContact O-N 3.43Å; C110-C114 PolarHBondContact O-N 2.99Å |
| 111 | V | 96.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.2 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | H5 T83 C86 M107 S113 C114 V115 | H5-V111 HydrophobicContact CB-CG1 4.03Å; T83-V111 HydrophobicContact CG2-CG2 4.16Å; C86-V111 HydrophobicContact CB-CG2 4.01Å; M107-V111 HydrophobicContact CE-CG2 3.6Å; M107-V111 WeakPolarHBondContact O-CG2 3.44Å; M107-V111 PolarHBondContact O-N 2.9Å; M107-V111 HydrophobicContact SD-CG2 4.08Å; V111-S113 PolarHBondContact O-N 2.86Å; V111-C114 WeakPolarHBondContact O-CB 3.25Å; V111-C114 PolarHBondContact O-N 3.24Å; V111-V115 PolarHBondContact O-N 2.88Å |
| 112 | G | 96.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.1 | -48.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | H5 D108 R109 C110 C114 V115 D116 | H5-G112 VanDerWaalsContact CE1-CA 3.47Å; H5-G112 WeakPolarHBondContact CE1-CA 3.35Å; D108-G112 PolarHBondContact O-N 2.95Å; R109-G112 PolarHBondContact O-N 3.23Å; C110-G112 VanDerWaalsContact C-N 3.34Å; C110-G112 PolarHBondContact O-N 3.48Å; G112-C114 PolarHBondContact O-N 3.49Å; G112-V115 PolarHBondContact O-N 3.31Å; G112-D116 VanDerWaalsContact O-CG 3.28Å; G112-D116 PolarHBondContact O-N 2.92Å |
| 113 | S | 96.6 | Very high | 96 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 43% | 0.427 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 175.1 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | R109 C110 V111 V115 D116 D117 | R109-S113 PolarHBondContact O-N 2.98Å; C110-S113 PolarHBondContact O-N 3.43Å; V111-S113 PolarHBondContact O-N 2.86Å; S113-V115 VanDerWaalsContact C-N 3.3Å; S113-V115 PolarHBondContact O-N 2.79Å; S113-D116 PolarHBondContact O-N 3.37Å; S113-D117 WeakPolarHBondContact O-CB 3.02Å; S113-D117 PolarHBondContact O-N 3.42Å |
| 114 | C | 96.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.6 | -46.4 | 176.1 | -78.6 | 0 | 0 | 0 | 0 | 111.6 | C82 C86 C110 V111 G112 H118 | C82-C114 HydrophobicContact CB-CB 3.82Å; C82-C114 WeakPolarHBondContact CB-SG 3.31Å; C82-C114 PolarHBondContact O-SG 3.31Å; C82-C114 VanDerWaalsContact O-SG 3.4Å; C82-C114 VanDerWaalsContact SG-CA 3.58Å; C82-C114 WeakPolarHBondContact SG-CB 3.33Å; C82-C114 CovalentContact SG-SG 2.04Å; C82-C114 PolarHBondContact SG-SG 2.99Å; C86-C114 VanDerWaalsContact SG-SG 3.62Å; C110-C114 PolarHBondContact O-N 2.99Å; V111-C114 WeakPolarHBondContact O-CB 3.25Å; V111-C114 PolarHBondContact O-N 3.24Å; G112-C114 PolarHBondContact O-N 3.49Å; C114-H118 WeakPolarHBondContact O-CB 3.29Å; C114-H118 PolarHBondContact O-N 3Å; C114-H118 VanDerWaalsContact O-N 3.07Å; C114-H118 PolarHBondContact O-ND1 3.43Å |
| 115 | V | 96.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 179.5 | 165.2 | 0 | 0 | 0 | 0 | 111.6 | H5 R8 V9 L79 V111 G112 S113 D117 H118 I119 | H5-V115 HydrophobicContact CB-CG2 3.92Å; R8-V115 HydrophobicContact CB-CG1 4.47Å; V9-V115 HydrophobicContact CB-CG1 4.26Å; L79-V115 HydrophobicContact CD1-CG2 4.27Å; V111-V115 PolarHBondContact O-N 2.88Å; G112-V115 PolarHBondContact O-N 3.31Å; S113-V115 VanDerWaalsContact C-N 3.3Å; S113-V115 PolarHBondContact O-N 2.79Å; V115-D117 PolarHBondContact O-N 2.95Å; V115-H118 PolarHBondContact O-N 2.69Å; V115-I119 HydrophobicContact CG1-CD1 3.57Å; V115-I119 HydrophobicContact CG1-CG1 4.2Å; V115-I119 WeakPolarHBondContact O-CB 3.05Å; V115-I119 WeakPolarHBondContact O-CG1 3.35Å; V115-I119 PolarHBondContact O-N 2.95Å |
| 116 | D | 96.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 34% | 0.342 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -46 | 179.4 | -67.7 | -21.9 | 0 | 0 | 0 | 111 | R8 G112 S113 H118 I119 N120 | R8-D116 IonicContact CZ-OD1 3.6Å; R8-D116 VanDerWaalsContact CZ-OD1 3.32Å; R8-D116 IonicContact NH1-OD1 2.64Å; R8-D116 PolarHBondContact NH1-OD1 2.04Å; R8-D116 IonicContact NH2-OD1 3.07Å; R8-D116 PolarHBondContact NH2-OD1 3.46Å; G112-D116 VanDerWaalsContact O-CG 3.28Å; G112-D116 PolarHBondContact O-N 2.92Å; S113-D116 PolarHBondContact O-N 3.37Å; D116-H118 VanDerWaalsContact C-N 3.32Å; D116-H118 PolarHBondContact O-N 3.29Å; D116-I119 PolarHBondContact O-N 2.92Å; D116-N120 PolarHBondContact O-N 3.28Å; D116-N120 PolarHBondContact O-ND2 3.32Å |
| 117 | D | 96.6 | Very high | 96.4 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.9 | -69.8 | -25.7 | 0 | 0 | 0 | 111.8 | S113 V115 L121 | S113-D117 WeakPolarHBondContact O-CB 3.02Å; S113-D117 PolarHBondContact O-N 3.42Å; V115-D117 PolarHBondContact O-N 2.95Å; D117-L121 WeakPolarHBondContact O-CG 3.41Å |
| 118 | H | 96.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.3 | -38.9 | -179.6 | -74.3 | 70.4 | 0 | 0 | 0 | 112.2 | F75 L79 C114 V115 D116 N120 L121 V122 | F75-H118 HydrophobicContact CE2-CB 3.94Å; F75-H118 VanDerWaalsContact CE2-O 3.3Å; F75-H118 WeakPolarHBondContact CE2-O 3.44Å; F75-H118 HydrophobicContact CZ-CB 3.79Å; L79-H118 HydrophobicContact CD1-CB 4.11Å; L79-H118 PolarHBondContact N-NE2 3.48Å; C114-H118 WeakPolarHBondContact O-CB 3.29Å; C114-H118 PolarHBondContact O-N 3Å; C114-H118 VanDerWaalsContact O-N 3.07Å; C114-H118 PolarHBondContact O-ND1 3.43Å; V115-H118 PolarHBondContact O-N 2.69Å; D116-H118 VanDerWaalsContact C-N 3.32Å; D116-H118 PolarHBondContact O-N 3.29Å; H118-N120 PolarHBondContact O-N 3.13Å; H118-L121 WeakPolarHBondContact O-CB 3.39Å; H118-L121 PolarHBondContact O-N 3.48Å; H118-V122 PolarHBondContact O-N 3.02Å |
| 119 | I | 96.9 | Very high | 96.6 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.9 | -41.2 | 172.9 | -76.7 | 174.3 | 0 | 0 | 0 | 110.3 | R8 V9 V12 V115 D116 L121 V122 P123 | R8-I119 HydrophobicContact CB-CD1 4.33Å; V9-I119 HydrophobicContact CG2-CG1 4.46Å; V12-I119 HydrophobicContact CB-CG1 4.46Å; V12-I119 HydrophobicContact CG1-CG2 4.36Å; V12-I119 HydrophobicContact CG2-CD1 4.18Å; V12-I119 HydrophobicContact CG2-CG1 4.26Å; V12-I119 HydrophobicContact CG2-CG2 4.26Å; V115-I119 HydrophobicContact CG1-CD1 3.57Å; V115-I119 HydrophobicContact CG1-CG1 4.2Å; V115-I119 WeakPolarHBondContact O-CB 3.05Å; V115-I119 WeakPolarHBondContact O-CG1 3.35Å; V115-I119 PolarHBondContact O-N 2.95Å; D116-I119 PolarHBondContact O-N 2.92Å; I119-L121 PolarHBondContact O-N 3.16Å; I119-V122 WeakPolarHBondContact O-CB 3.42Å; I119-V122 PolarHBondContact O-N 3.45Å; I119-P123 WeakPolarHBondContact O-CD 3.46Å |
| 120 | N | 96.8 | Very high | 96.6 | Very high | 117 Ų | 117 | 47.4 Ų | 47.4 | 63% | 0.626 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.8 | -20.9 | 177.8 | -70.1 | -30.5 | 0 | 0 | 0 | 113.7 | D116 H118 | D116-N120 PolarHBondContact O-N 3.28Å; D116-N120 PolarHBondContact O-ND2 3.32Å; H118-N120 PolarHBondContact O-N 3.13Å |
| 121 | L | 96 | Very high | 96.6 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -80.2 | -27.1 | 174.9 | -61.5 | 176 | 0 | 0 | 0 | 112.7 | D117 H118 I119 S124 M125 | D117-L121 WeakPolarHBondContact O-CG 3.41Å; H118-L121 WeakPolarHBondContact O-CB 3.39Å; H118-L121 PolarHBondContact O-N 3.48Å; I119-L121 PolarHBondContact O-N 3.16Å; L121-S124 PolarHBondContact O-N 3.32Å; L121-S124 PolarHBondContact O-OG 2.86Å; L121-M125 PolarHBondContact O-N 3.27Å; L121-M125 VanDerWaalsContact O-N 3.09Å |
| 122 | V | 96.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.4 | -48.9 | -172.8 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | V12 M16 F75 H118 I119 S124 M125 T126 | V12-V122 HydrophobicContact CG1-CB 3.99Å; V12-V122 HydrophobicContact CG1-CG1 3.91Å; V12-V122 HydrophobicContact CG1-CG2 3.96Å; M16-V122 HydrophobicContact CB-CG1 4.02Å; M16-V122 HydrophobicContact CG-CG1 4.26Å; M16-V122 HydrophobicContact SD-CG1 3.7Å; F75-V122 HydrophobicContact CE2-CG2 3.75Å; F75-V122 HydrophobicContact CZ-CG2 3.76Å; H118-V122 PolarHBondContact O-N 3.02Å; I119-V122 WeakPolarHBondContact O-CB 3.42Å; I119-V122 PolarHBondContact O-N 3.45Å; V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 2.88Å; V122-M125 HydrophobicContact CG1-CE 4.46Å; V122-M125 WeakPolarHBondContact O-CB 2.88Å; V122-M125 PolarHBondContact O-N 3.32Å; V122-M125 VanDerWaalsContact O-N 3.12Å; V122-T126 PolarHBondContact O-N 3.19Å; V122-T126 PolarHBondContact O-OG1 3.02Å |
| 123 | P | 96.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | -177.9 | -25.9 | 35.3 | 0 | 0 | 0 | 114 | I119 R127 | I119-P123 WeakPolarHBondContact O-CD 3.46Å; P123-R127 PolarHBondContact O-N 3.4Å; P123-R127 VanDerWaalsContact O-N 3.08Å |
| 124 | S | 96.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 178.2 | 70 | 0 | 0 | 0 | 0 | 111.7 | L121 V122 R127 R128 | L121-S124 PolarHBondContact O-N 3.32Å; L121-S124 PolarHBondContact O-OG 2.86Å; V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 2.88Å; S124-R127 PolarHBondContact O-N 2.64Å; S124-R128 WeakPolarHBondContact O-CG 3.36Å; S124-R128 PolarHBondContact O-N 2.98Å; S124-R128 VanDerWaalsContact O-N 3.12Å |
| 125 | M | 96.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 173.7 | -177.9 | 179.9 | 77.4 | 0 | 0 | 111.1 | M16 E71 L72 F75 L121 V122 R127 R128 L129 | M16-M125 HydrophobicContact CE-CE 3.43Å; M16-M125 VanDerWaalsContact CE-CE 3.43Å; M16-M125 HydrophobicContact SD-CE 3.37Å; M16-M125 WeakPolarHBondContact SD-CE 3.44Å; E71-M125 HydrophobicContact CG-CG 3.52Å; E71-M125 HydrophobicContact CG-SD 3.77Å; L72-M125 HydrophobicContact CD2-CE 4.47Å; F75-M125 HydrophobicContact CB-SD 4Å; F75-M125 HydrophobicContact CD2-CE 4.15Å; F75-M125 HydrophobicContact CD2-SD 3.95Å; F75-M125 HydrophobicContact CG-CE 4.34Å; F75-M125 HydrophobicContact CG-SD 4.24Å; L121-M125 PolarHBondContact O-N 3.27Å; L121-M125 VanDerWaalsContact O-N 3.09Å; V122-M125 HydrophobicContact CG1-CE 4.46Å; V122-M125 WeakPolarHBondContact O-CB 2.88Å; V122-M125 PolarHBondContact O-N 3.32Å; V122-M125 VanDerWaalsContact O-N 3.12Å; M125-R127 VanDerWaalsContact C-N 3.33Å; M125-R127 PolarHBondContact O-N 2.91Å; M125-R128 PolarHBondContact O-N 3.3Å; M125-L129 HydrophobicContact CG-CD1 4.24Å; M125-L129 WeakPolarHBondContact O-CG 3.29Å; M125-L129 PolarHBondContact O-N 3.13Å |
| 126 | T | 96.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 175.8 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | M16 L20 V122 R128 L129 K130 | M16-T126 HydrophobicContact CG-CG2 3.79Å; M16-T126 WeakPolarHBondContact CG-OG1 3.19Å; M16-T126 HydrophobicContact SD-CG2 4.46Å; M16-T126 PolarHBondContact SD-OG1 2.97Å; L20-T126 HydrophobicContact CD2-CG2 4.34Å; V122-T126 PolarHBondContact O-N 3.19Å; V122-T126 PolarHBondContact O-OG1 3.02Å; T126-R128 PolarHBondContact O-N 3.05Å; T126-L129 PolarHBondContact O-N 3.35Å; T126-K130 HydrophobicContact CG2-CD 4.48Å; T126-K130 WeakPolarHBondContact O-CG 3.44Å; T126-K130 PolarHBondContact O-N 3.36Å |
| 127 | R | 96.8 | Very high | 95.9 | Very high | 162 Ų | 162 | 63.2 Ų | 63.2 | 61% | 0.611 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.8 | -49.3 | 179.1 | -174.8 | -176.6 | -61.1 | 137.5 | 3 | 111.5 | P123 S124 M125 L129 K130 E131 | P123-R127 PolarHBondContact O-N 3.4Å; P123-R127 VanDerWaalsContact O-N 3.08Å; S124-R127 PolarHBondContact O-N 2.64Å; M125-R127 VanDerWaalsContact C-N 3.33Å; M125-R127 PolarHBondContact O-N 2.91Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 3.41Å; R127-K130 PolarHBondContact O-N 3.39Å; R127-E131 WeakPolarHBondContact CG-OE1 3.19Å; R127-E131 WeakPolarHBondContact O-CG 3.18Å; R127-E131 PolarHBondContact O-N 3.04Å |
| 128 | R | 96.9 | Very high | 95 | Very high | 125 Ų | 125 | 64.5 Ų | 64.5 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 177.7 | -66.7 | -172.8 | -52.1 | -152.2 | 6.5 | 112.3 | E71 S124 M125 T126 E131 N132 | E71-R128 IonicContact OE1-CZ 3.01Å; E71-R128 IonicContact OE1-NH2 2.91Å; E71-R128 PolarHBondContact OE1-NH2 3.5Å; S124-R128 WeakPolarHBondContact O-CG 3.36Å; S124-R128 PolarHBondContact O-N 2.98Å; S124-R128 VanDerWaalsContact O-N 3.12Å; M125-R128 PolarHBondContact O-N 3.3Å; T126-R128 PolarHBondContact O-N 3.05Å; R128-E131 PolarHBondContact O-N 3.22Å; R128-N132 WeakPolarHBondContact O-CB 3.38Å; R128-N132 VanDerWaalsContact O-CG 3.26Å; R128-N132 PolarHBondContact O-N 2.98Å; R128-N132 PolarHBondContact O-ND2 3.39Å; R128-N132 VanDerWaalsContact O-ND2 3.14Å |
| 129 | L | 97.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.2 | -78.1 | 171.8 | 0 | 0 | 0 | 111.1 | L20 L67 V68 E71 M125 T126 R127 N132 L133 | L20-L129 HydrophobicContact CD1-CB 4.15Å; L20-L129 HydrophobicContact CD1-CD1 3.69Å; L20-L129 HydrophobicContact CD2-CB 4.08Å; L67-L129 HydrophobicContact CD2-CD2 4.16Å; L67-L129 HydrophobicContact CG-CD2 3.97Å; V68-L129 HydrophobicContact CG2-CD2 4.38Å; E71-L129 HydrophobicContact CB-CD1 4.23Å; E71-L129 HydrophobicContact CB-CD2 3.82Å; E71-L129 HydrophobicContact CB-CG 4.35Å; E71-L129 HydrophobicContact CG-CD1 4.08Å; E71-L129 HydrophobicContact CG-CD2 4.09Å; E71-L129 HydrophobicContact CG-CG 4.14Å; M125-L129 HydrophobicContact CG-CD1 4.24Å; M125-L129 WeakPolarHBondContact O-CG 3.29Å; M125-L129 PolarHBondContact O-N 3.13Å; T126-L129 PolarHBondContact O-N 3.35Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 3.41Å; L129-N132 PolarHBondContact O-N 3.44Å; L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.13Å |
| 130 | K | 96.2 | Very high | 94.8 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59 | -49.6 | 176.2 | -69.1 | -170.6 | 173 | -167.1 | 0 | 111.9 | S19 L20 D23 H24 T126 R127 N132 L133 D134 | S19-K130 PolarHBondContact OG-NZ 3.47Å; L20-K130 HydrophobicContact CD2-CD 4.46Å; L20-K130 HydrophobicContact CD2-CG 3.54Å; D23-K130 IonicContact OD2-NZ 2.88Å; D23-K130 PolarHBondContact OD2-NZ 3.33Å; H24-K130 WeakPolarHBondContact NE2-CG 3.49Å; T126-K130 HydrophobicContact CG2-CD 4.48Å; T126-K130 WeakPolarHBondContact O-CG 3.44Å; T126-K130 PolarHBondContact O-N 3.36Å; R127-K130 PolarHBondContact O-N 3.39Å; K130-N132 VanDerWaalsContact C-N 3.33Å; K130-N132 PolarHBondContact O-N 3.29Å; K130-L133 PolarHBondContact O-N 2.9Å; K130-D134 PolarHBondContact O-N 2.98Å |
| 131 | E | 96.1 | Very high | 94.7 | Very high | 113 Ų | 113 | 66.4 Ų | 66.4 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 177.9 | -71.1 | 166.5 | -178.1 | 0 | 0 | 112.3 | R127 R128 D134 S135 | R127-E131 WeakPolarHBondContact CG-OE1 3.19Å; R127-E131 WeakPolarHBondContact O-CG 3.18Å; R127-E131 PolarHBondContact O-N 3.04Å; R128-E131 PolarHBondContact O-N 3.22Å; E131-D134 PolarHBondContact O-N 2.86Å; E131-S135 PolarHBondContact O-N 2.62Å |
| 132 | N | 95.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 177.6 | -74.6 | -32.5 | 0 | 0 | 0 | 112 | L67 R128 L129 K130 D134 S135 I136 | L67-N132 HydrophobicContact CD2-CB 3.39Å; R128-N132 WeakPolarHBondContact O-CB 3.38Å; R128-N132 VanDerWaalsContact O-CG 3.26Å; R128-N132 PolarHBondContact O-N 2.98Å; R128-N132 PolarHBondContact O-ND2 3.39Å; R128-N132 VanDerWaalsContact O-ND2 3.14Å; L129-N132 PolarHBondContact O-N 3.44Å; K130-N132 VanDerWaalsContact C-N 3.33Å; K130-N132 PolarHBondContact O-N 3.29Å; N132-D134 VanDerWaalsContact C-N 3.33Å; N132-S135 PolarHBondContact O-N 3.23Å; N132-S135 PolarHBondContact O-OG 3.04Å; N132-I136 PolarHBondContact O-N 3.44Å |
| 133 | L | 95.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.5 | -72.2 | 172.5 | 0 | 0 | 0 | 111.4 | L20 H24 I25 A64 L67 V68 L129 K130 S135 I136 | L20-L133 HydrophobicContact CD2-CD1 4.08Å; H24-L133 HydrophobicContact CB-CB 4.36Å; H24-L133 HydrophobicContact CB-CD1 3.96Å; I25-L133 HydrophobicContact CD1-CD1 4.32Å; I25-L133 HydrophobicContact CD1-CD2 3.99Å; A64-L133 HydrophobicContact CB-CD2 3.42Å; A64-L133 VanDerWaalsContact CB-CD2 3.42Å; L67-L133 HydrophobicContact CD2-CD2 4.37Å; L67-L133 HydrophobicContact CD2-CG 4.48Å; V68-L133 HydrophobicContact CG2-CD1 4.26Å; V68-L133 HydrophobicContact CG2-CD2 4.35Å; L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.13Å; K130-L133 PolarHBondContact O-N 2.9Å; L133-S135 PolarHBondContact O-N 3.42Å; L133-I136 HydrophobicContact CD2-CD1 4.09Å; L133-I136 PolarHBondContact O-N 2.86Å |
| 134 | D | 94.2 | Very high | 94.3 | Very high | 113 Ų | 113 | 69.9 Ų | 69.9 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.1 | -23.8 | 176.6 | -69.7 | -24.3 | 0 | 0 | 0 | 112.8 | H24 K130 E131 N132 | H24-D134 IonicContact CE1-OD1 3.03Å; H24-D134 PolarHBondContact CE1-OD1 2.95Å; H24-D134 IonicContact CE1-OD2 3.93Å; H24-D134 IonicContact ND1-OD1 3.58Å; H24-D134 PolarHBondContact ND1-OD1 3.21Å; K130-D134 PolarHBondContact O-N 2.98Å; E131-D134 PolarHBondContact O-N 2.86Å; N132-D134 VanDerWaalsContact C-N 3.33Å |
| 135 | S | 95.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 71.4 Ų | 71.4 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.3 | 176.9 | 80.4 | 0 | 0 | 0 | 0 | 114.3 | E131 N132 L133 P137 | E131-S135 PolarHBondContact O-N 2.62Å; N132-S135 PolarHBondContact O-N 3.23Å; N132-S135 PolarHBondContact O-OG 3.04Å; L133-S135 PolarHBondContact O-N 3.42Å; S135-P137 WeakPolarHBondContact O-CD 3.45Å |
| 136 | I | 94.3 | Very high | 94 | Very high | 19 Ų | 19 | 76.3 Ų | 76.3 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -73.1 | 120.5 | -178.6 | -63.2 | 172.2 | 0 | 0 | 0 | 108.8 | M28 P60 Q63 A64 N132 L133 Q138 | M28-I136 HydrophobicContact CE-CG2 4.28Å; P60-I136 HydrophobicContact CB-CG2 3.86Å; Q63-I136 HydrophobicContact CB-CD1 4.42Å; A64-I136 HydrophobicContact CB-CD1 3.66Å; N132-I136 PolarHBondContact O-N 3.44Å; L133-I136 HydrophobicContact CD2-CD1 4.09Å; L133-I136 PolarHBondContact O-N 2.86Å; I136-Q138 PolarHBondContact O-N 3.07Å; I136-Q138 PolarHBondContact O-NE2 3.32Å |
| 137 | P | 88.3 | Confident | 93.8 | Very high | 105 Ų | 105 | 80.8 Ų | 80.8 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | trans | -58 | 128.7 | 176 | -22.8 | 34.1 | 0 | 0 | 0 | 111.1 | P60 S135 | P60-P137 WeakPolarHBondContact CB-O 3.48Å; P60-P137 WeakPolarHBondContact CG-O 3.42Å; S135-P137 WeakPolarHBondContact O-CD 3.45Å | ||
| 138 | Q | 78.1 | Confident | 93.5 | Very high | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | trans | -107.4 | 0 | -179.1 | -57.6 | -58.9 | -57.1 | 0 | 0 | 111.8 | R31 I136 | R31-Q138 VanDerWaalsContact NH1-CB 3.32Å; I136-Q138 PolarHBondContact O-N 3.07Å; I136-Q138 PolarHBondContact O-NE2 3.32Å |
Retrieved 138 of 138 residues in 245.4 ms
(Link to these results)