| 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 | 52.8 | Low | 72.8 | Confident | 224 Ų | 224 | 95.8 Ų | 95.8 | 100% | 1.103 | 48% | 0.482 | S | S | * | . | 0 | -28.1 | 0 | -83.7 | 165.2 | 173.5 | 0 | 0 | 114.9 | |||||
| 2 | G | 61.1 | Low | 73.9 | Confident | 50 Ų | 50 | 96.9 Ų | 96.9 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -53.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | S4 C5 E6 | G2-S4 PolarHBondContact O-N 3.24Å; G2-C5 PolarHBondContact O-N 2.84Å; G2-E6 PolarHBondContact O-N 3.14Å |
| 3 | R | 62.8 | Low | 75.2 | Confident | 222 Ų | 222 | 99.4 Ų | 99.4 | 84% | 0.838 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | -171.2 | -64 | -174 | -167.1 | 175 | 3.8 | 114.6 | C5 E6 A7 | R3-C5 VanDerWaalsContact C-N 3.29Å; R3-C5 PolarHBondContact O-N 2.99Å; R3-E6 PolarHBondContact O-N 2.86Å; R3-A7 WeakPolarHBondContact O-CB 3.4Å; R3-A7 PolarHBondContact O-N 3.15Å |
| 4 | S | 64.7 | Low | 76.2 | Confident | 34 Ų | 34 | 94.9 Ų | 94.9 | 24% | 0.238 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 178.9 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | G2 K8 N44 | G2-S4 PolarHBondContact O-N 3.24Å; S4-K8 PolarHBondContact O-N 3.32Å; S4-K8 VanDerWaalsContact O-N 3.14Å; S4-N44 PolarHBondContact O-ND2 2.89Å; S4-N44 PolarHBondContact OG-ND2 3.34Å |
| 5 | C | 67.2 | Low | 77.1 | Confident | 71 Ų | 71 | 89.5 Ų | 89.5 | 48% | 0.48 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71 | -38 | 178.2 | -147.9 | 0 | 0 | 0 | 0 | 112 | G2 R3 Q9 | G2-C5 PolarHBondContact O-N 2.84Å; R3-C5 VanDerWaalsContact C-N 3.29Å; R3-C5 PolarHBondContact O-N 2.99Å; C5-Q9 PolarHBondContact O-N 3.04Å |
| 6 | E | 77.6 | Confident | 78 | Confident | 111 Ų | 111 | 91 Ų | 91 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 174 | -71.3 | 173.9 | -177.3 | 0 | 0 | 111.7 | G2 R3 K8 Q9 Y10 | G2-E6 PolarHBondContact O-N 3.14Å; R3-E6 PolarHBondContact O-N 2.86Å; E6-K8 VanDerWaalsContact C-N 3.25Å; E6-K8 PolarHBondContact O-N 3.16Å; E6-Q9 WeakPolarHBondContact O-CB 3.43Å; E6-Q9 PolarHBondContact O-N 3.04Å; E6-Y10 HydrophobicContact CB-CE2 4.37Å; E6-Y10 WeakPolarHBondContact O-CD2 3.44Å; E6-Y10 PolarHBondContact O-N 3.08Å; E6-Y10 VanDerWaalsContact O-N 3.11Å |
| 7 | A | 77.6 | Confident | 78.7 | Confident | 35 Ų | 35 | 91.5 Ų | 91.5 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -52.6 | -46 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R3 Q9 Y10 I11 | R3-A7 WeakPolarHBondContact O-CB 3.4Å; R3-A7 PolarHBondContact O-N 3.15Å; A7-Q9 VanDerWaalsContact C-N 3.33Å; A7-Q9 PolarHBondContact O-N 3.29Å; A7-Y10 PolarHBondContact O-N 3.23Å; A7-Y10 VanDerWaalsContact O-N 3.14Å; A7-I11 WeakPolarHBondContact O-CD1 3.33Å; A7-I11 VanDerWaalsContact O-CG1 3.25Å; A7-I11 WeakPolarHBondContact O-CG1 3.32Å; A7-I11 PolarHBondContact O-N 2.95Å |
| 8 | K | 79.8 | Confident | 79.5 | Confident | 16 Ų | 16 | 86.9 Ų | 86.9 | 7% | 0.07 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -55.4 | -43.4 | 174.9 | -175.1 | 171.6 | -172.3 | 144.9 | 0 | 113.5 | S4 E6 Y10 I11 K12 E45 L48 | S4-K8 PolarHBondContact O-N 3.32Å; S4-K8 VanDerWaalsContact O-N 3.14Å; E6-K8 VanDerWaalsContact C-N 3.25Å; E6-K8 PolarHBondContact O-N 3.16Å; K8-Y10 VanDerWaalsContact C-N 3.34Å; K8-I11 PolarHBondContact O-N 2.8Å; K8-K12 VanDerWaalsContact CE-CE 3.46Å; K8-K12 HydrophobicContact CG-CD 4.43Å; K8-K12 WeakPolarHBondContact O-CB 3.49Å; K8-K12 WeakPolarHBondContact O-CG 3.5Å; K8-K12 PolarHBondContact O-N 3.48Å; K8-E45 IonicContact NZ-OE1 2.74Å; K8-L48 HydrophobicContact CD-CD1 4.25Å |
| 9 | Q | 84.1 | Confident | 80 | Confident | 113 Ų | 113 | 88.5 Ų | 88.5 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 179.3 | -69.9 | -176.4 | 1.7 | 0 | 0 | 111.4 | C5 E6 A7 K13 | C5-Q9 PolarHBondContact O-N 3.04Å; E6-Q9 WeakPolarHBondContact O-CB 3.43Å; E6-Q9 PolarHBondContact O-N 3.04Å; A7-Q9 VanDerWaalsContact C-N 3.33Å; A7-Q9 PolarHBondContact O-N 3.29Å; Q9-K13 VanDerWaalsContact O-CG 3.32Å; Q9-K13 WeakPolarHBondContact O-CG 3.49Å; Q9-K13 PolarHBondContact O-N 2.82Å |
| 10 | Y | 86.5 | Confident | 80.7 | Confident | 160 Ų | 160 | 90.2 Ų | 90.2 | 63% | 0.627 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65 | -45.5 | 175.7 | -70.1 | -68.8 | 0 | 0 | 0 | 111.8 | E6 A7 K8 K12 K13 A14 | E6-Y10 HydrophobicContact CB-CE2 4.37Å; E6-Y10 WeakPolarHBondContact O-CD2 3.44Å; E6-Y10 PolarHBondContact O-N 3.08Å; E6-Y10 VanDerWaalsContact O-N 3.11Å; A7-Y10 PolarHBondContact O-N 3.23Å; A7-Y10 VanDerWaalsContact O-N 3.14Å; K8-Y10 VanDerWaalsContact C-N 3.34Å; Y10-K12 VanDerWaalsContact C-N 3.34Å; Y10-K12 PolarHBondContact O-N 3.36Å; Y10-K13 PolarHBondContact O-N 3.24Å; Y10-A14 WeakPolarHBondContact O-CB 3.3Å; Y10-A14 PolarHBondContact O-N 3.41Å |
| 11 | I | 86.7 | Confident | 81.2 | Confident | 18 Ų | 18 | 88 Ų | 88 | 9% | 0.092 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.9 | -62.7 | 154.8 | 0 | 0 | 0 | 110.7 | A7 K8 K13 A14 L15 E40 L41 | A7-I11 WeakPolarHBondContact O-CD1 3.33Å; A7-I11 VanDerWaalsContact O-CG1 3.25Å; A7-I11 WeakPolarHBondContact O-CG1 3.32Å; A7-I11 PolarHBondContact O-N 2.95Å; K8-I11 PolarHBondContact O-N 2.8Å; I11-K13 PolarHBondContact O-N 3.08Å; I11-A14 PolarHBondContact O-N 3.23Å; I11-L15 VanDerWaalsContact O-CB 3.32Å; I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 2.96Å; I11-E40 HydrophobicContact CD1-CB 4.28Å; I11-E40 HydrophobicContact CD1-CG 3.46Å; I11-E40 VanDerWaalsContact CD1-CG 3.46Å; I11-E40 HydrophobicContact CG1-CG 4Å; I11-L41 HydrophobicContact CG2-CB 3.97Å; I11-L41 HydrophobicContact CG2-CD1 4.12Å |
| 12 | K | 86 | Confident | 82.9 | Confident | 109 Ų | 109 | 81.2 Ų | 81.2 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 177 | -76.5 | -171.8 | 174.7 | -164.3 | 0 | 113.1 | K8 Y10 L15 H16 | K8-K12 VanDerWaalsContact CE-CE 3.46Å; K8-K12 HydrophobicContact CG-CD 4.43Å; K8-K12 WeakPolarHBondContact O-CB 3.49Å; K8-K12 WeakPolarHBondContact O-CG 3.5Å; K8-K12 PolarHBondContact O-N 3.48Å; Y10-K12 VanDerWaalsContact C-N 3.34Å; Y10-K12 PolarHBondContact O-N 3.36Å; K12-L15 PolarHBondContact O-N 3.46Å; K12-H16 PolarHBondContact O-N 3.44Å |
| 13 | K | 90.3 | Very high | 84.3 | Confident | 129 Ų | 129 | 86.5 Ų | 86.5 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 174.2 | -74.2 | 173.6 | -179.1 | 177.6 | 0 | 110.8 | Q9 Y10 I11 L15 H16 I17 | Q9-K13 VanDerWaalsContact O-CG 3.32Å; Q9-K13 WeakPolarHBondContact O-CG 3.49Å; Q9-K13 PolarHBondContact O-N 2.82Å; Y10-K13 PolarHBondContact O-N 3.24Å; I11-K13 PolarHBondContact O-N 3.08Å; K13-L15 VanDerWaalsContact C-N 3.33Å; K13-L15 PolarHBondContact O-N 2.8Å; K13-H16 WeakPolarHBondContact O-CB 3.37Å; K13-H16 PolarHBondContact O-N 3.29Å; K13-I17 WeakPolarHBondContact O-CG1 3.32Å; K13-I17 PolarHBondContact O-N 3.47Å; K13-I17 VanDerWaalsContact O-N 3.08Å |
| 14 | A | 89.8 | Confident | 85.6 | Confident | 36 Ų | 36 | 85.7 Ų | 85.7 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y10 I11 H16 I17 F18 L37 | Y10-A14 WeakPolarHBondContact O-CB 3.3Å; Y10-A14 PolarHBondContact O-N 3.41Å; I11-A14 PolarHBondContact O-N 3.23Å; A14-H16 VanDerWaalsContact C-N 3.32Å; A14-H16 PolarHBondContact O-N 2.88Å; A14-I17 PolarHBondContact O-N 3.22Å; A14-F18 WeakPolarHBondContact O-CB 3.47Å; A14-F18 PolarHBondContact O-N 3.05Å; A14-L37 HydrophobicContact CB-CD2 3.65Å |
| 15 | L | 89.6 | Confident | 86.8 | Confident | 15 Ų | 15 | 86 Ų | 86 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 176.2 | -172.4 | 68.5 | 0 | 0 | 0 | 112.7 | I11 K12 K13 F18 K19 L37 Y38 L41 | I11-L15 VanDerWaalsContact O-CB 3.32Å; I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 2.96Å; K12-L15 PolarHBondContact O-N 3.46Å; K13-L15 VanDerWaalsContact C-N 3.33Å; K13-L15 PolarHBondContact O-N 2.8Å; L15-F18 HydrophobicContact CD1-CD1 4.07Å; L15-K19 HydrophobicContact CG-CD 4.42Å; L15-K19 WeakPolarHBondContact O-CB 3.44Å; L15-K19 VanDerWaalsContact O-CG 3.3Å; L15-K19 WeakPolarHBondContact O-CG 3.12Å; L15-K19 PolarHBondContact O-N 2.95Å; L15-L37 HydrophobicContact CD1-CB 4.25Å; L15-L37 HydrophobicContact CD1-CD1 4.2Å; L15-Y38 HydrophobicContact CD1-CD2 3.92Å; L15-Y38 HydrophobicContact CD1-CE2 3.32Å; L15-L41 HydrophobicContact CD2-CD2 4.32Å |
| 16 | H | 90.8 | Very high | 87.8 | Confident | 113 Ų | 113 | 86.6 Ų | 86.6 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 174.3 | -176.8 | 76.2 | 0 | 0 | 0 | 111.5 | K12 K13 A14 K19 Q20 | K12-H16 PolarHBondContact O-N 3.44Å; K13-H16 WeakPolarHBondContact O-CB 3.37Å; K13-H16 PolarHBondContact O-N 3.29Å; A14-H16 VanDerWaalsContact C-N 3.32Å; A14-H16 PolarHBondContact O-N 2.88Å; H16-K19 PolarHBondContact O-N 3.46Å; H16-Q20 PolarHBondContact NE2-NE2 2.97Å; H16-Q20 WeakPolarHBondContact O-CG 3.45Å; H16-Q20 PolarHBondContact O-N 3.11Å; H16-Q20 VanDerWaalsContact O-N 3.08Å |
| 17 | I | 91 | Very high | 88.3 | Confident | 99 Ų | 99 | 87 Ų | 87 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.3 | -65 | 167.2 | 0 | 0 | 0 | 110.6 | K13 A14 K19 Q20 N21 | K13-I17 WeakPolarHBondContact O-CG1 3.32Å; K13-I17 PolarHBondContact O-N 3.47Å; K13-I17 VanDerWaalsContact O-N 3.08Å; A14-I17 PolarHBondContact O-N 3.22Å; I17-K19 PolarHBondContact O-N 2.91Å; I17-Q20 PolarHBondContact O-N 3.14Å; I17-N21 PolarHBondContact O-N 3.3Å; I17-N21 PolarHBondContact O-ND2 3.26Å |
| 18 | F | 91.7 | Very high | 88.7 | Confident | 9 Ų | 9 | 90.8 Ų | 90.8 | 4% | 0.039 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -55.8 | -51.2 | 175.6 | 167.8 | -111.9 | 0 | 0 | 0 | 111.1 | A14 L15 Q20 N21 K22 M25 W33 T34 L37 | A14-F18 WeakPolarHBondContact O-CB 3.47Å; A14-F18 PolarHBondContact O-N 3.05Å; L15-F18 HydrophobicContact CD1-CD1 4.07Å; F18-Q20 VanDerWaalsContact C-N 3.29Å; F18-Q20 PolarHBondContact O-N 3.42Å; F18-N21 CarbonylContact O-C 3.39Å; F18-N21 PolarHBondContact O-N 3.32Å; F18-K22 HydrophobicContact CZ-CD 4.41Å; F18-K22 HydrophobicContact CZ-CG 4.38Å; F18-K22 WeakPolarHBondContact O-CA 3.24Å; F18-K22 PolarHBondContact O-N 3.33Å; F18-M25 HydrophobicContact CD2-CE 4.13Å; F18-M25 HydrophobicContact CD2-SD 3.79Å; F18-M25 HydrophobicContact CE2-SD 3.75Å; F18-W33 HydrophobicContact CD2-CB 3.52Å; F18-W33 HydrophobicContact CD2-CG 4.05Å; F18-W33 HydrophobicContact CE2-CB 3.39Å; F18-W33 HydrophobicContact CE2-CG 4.2Å; F18-W33 HydrophobicContact CG-CB 4.36Å; F18-W33 HydrophobicContact CZ-CB 4.13Å; F18-T34 WeakPolarHBondContact CZ-OG1 3.37Å; F18-L37 HydrophobicContact CB-CD1 3.64Å; F18-L37 HydrophobicContact CD1-CD1 4.1Å; F18-L37 HydrophobicContact CG-CD1 3.85Å |
| 19 | K | 90.3 | Very high | 89.2 | Confident | 118 Ų | 118 | 93.8 Ų | 93.8 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 178.6 | -75.1 | 177.3 | 179.2 | -178.2 | 0 | 112.9 | L15 H16 I17 N21 Y38 | L15-K19 HydrophobicContact CG-CD 4.42Å; L15-K19 WeakPolarHBondContact O-CB 3.44Å; L15-K19 VanDerWaalsContact O-CG 3.3Å; L15-K19 WeakPolarHBondContact O-CG 3.12Å; L15-K19 PolarHBondContact O-N 2.95Å; H16-K19 PolarHBondContact O-N 3.46Å; I17-K19 PolarHBondContact O-N 2.91Å; K19-N21 VanDerWaalsContact C-N 3.31Å; K19-Y38 VanDerWaalsContact CE-OH 3.29Å; K19-Y38 WeakPolarHBondContact CE-OH 3.4Å |
| 20 | Q | 92.8 | Very high | 89.4 | Confident | 121 Ų | 121 | 90.1 Ų | 90.1 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.4 | -28.5 | 176.5 | -73.9 | 177.9 | -27.8 | 0 | 0 | 113.4 | H16 I17 F18 | H16-Q20 PolarHBondContact NE2-NE2 2.97Å; H16-Q20 WeakPolarHBondContact O-CG 3.45Å; H16-Q20 PolarHBondContact O-N 3.11Å; H16-Q20 VanDerWaalsContact O-N 3.08Å; I17-Q20 PolarHBondContact O-N 3.14Å; F18-Q20 VanDerWaalsContact C-N 3.29Å; F18-Q20 PolarHBondContact O-N 3.42Å |
| 21 | N | 90.9 | Very high | 89.5 | Confident | 45 Ų | 45 | 83.9 Ų | 83.9 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -106.3 | -0.4 | -176.2 | -68.1 | -81.3 | 0 | 0 | 0 | 113.4 | I17 F18 K19 N23 R24 M25 | I17-N21 PolarHBondContact O-N 3.3Å; I17-N21 PolarHBondContact O-ND2 3.26Å; F18-N21 CarbonylContact O-C 3.39Å; F18-N21 PolarHBondContact O-N 3.32Å; K19-N21 VanDerWaalsContact C-N 3.31Å; N21-N23 VanDerWaalsContact C-N 3.26Å; N21-N23 PolarHBondContact O-N 3.26Å; N21-N23 VanDerWaalsContact O-N 3.15Å; N21-R24 WeakPolarHBondContact O-CA 3.44Å; N21-R24 WeakPolarHBondContact O-CB 3.3Å; N21-R24 PolarHBondContact O-N 3.42Å; N21-R24 PolarHBondContact OD1-NH1 2.96Å; N21-M25 HydrophobicContact CB-CE 4.25Å |
| 22 | K | 88.6 | Confident | 89.6 | Confident | 81 Ų | 81 | 89 Ų | 89 | 35% | 0.352 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -51.1 | -43.4 | -175.6 | -173.9 | 175.3 | 178.3 | 175.1 | 0 | 112.7 | F18 R24 M25 Q30 | F18-K22 HydrophobicContact CZ-CD 4.41Å; F18-K22 HydrophobicContact CZ-CG 4.38Å; F18-K22 WeakPolarHBondContact O-CA 3.24Å; F18-K22 PolarHBondContact O-N 3.33Å; K22-R24 PolarHBondContact O-N 2.88Å; K22-R24 VanDerWaalsContact O-N 3.16Å; K22-M25 WeakPolarHBondContact O-CB 3.33Å; K22-M25 PolarHBondContact O-N 3.28Å; K22-M25 VanDerWaalsContact O-N 3.14Å; K22-Q30 HydrophobicContact CG-CG 3.97Å; K22-Q30 PolarHBondContact O-NE2 3.2Å |
| 23 | N | 90.5 | Very high | 89.8 | Confident | 161 Ų | 161 | 89.1 Ų | 89.1 | 86% | 0.861 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -70.5 | -8.8 | -179.3 | -60.7 | -14.3 | 0 | 0 | 0 | 114.3 | N21 | N21-N23 VanDerWaalsContact C-N 3.26Å; N21-N23 PolarHBondContact O-N 3.26Å; N21-N23 VanDerWaalsContact O-N 3.15Å |
| 24 | R | 91.3 | Very high | 89.9 | Confident | 205 Ų | 205 | 83.2 Ų | 83.2 | 77% | 0.774 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -96.3 | -5.6 | 176.6 | -59.7 | 177.8 | 172.3 | 176.8 | -6.9 | 112.4 | N21 K22 | N21-R24 WeakPolarHBondContact O-CA 3.44Å; N21-R24 WeakPolarHBondContact O-CB 3.3Å; N21-R24 PolarHBondContact O-N 3.42Å; N21-R24 PolarHBondContact OD1-NH1 2.96Å; K22-R24 PolarHBondContact O-N 2.88Å; K22-R24 VanDerWaalsContact O-N 3.16Å |
| 25 | M | 88.8 | Confident | 89.8 | Confident | 42 Ų | 42 | 83.5 Ų | 83.5 | 21% | 0.207 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -101.9 | 147.5 | -176.1 | -66.4 | 172 | 176.1 | 0 | 0 | 110.2 | F18 N21 K22 E29 Q30 | F18-M25 HydrophobicContact CD2-CE 4.13Å; F18-M25 HydrophobicContact CD2-SD 3.79Å; F18-M25 HydrophobicContact CE2-SD 3.75Å; N21-M25 HydrophobicContact CB-CE 4.25Å; K22-M25 WeakPolarHBondContact O-CB 3.33Å; K22-M25 PolarHBondContact O-N 3.28Å; K22-M25 VanDerWaalsContact O-N 3.14Å; M25-E29 VanDerWaalsContact CA-OE2 3.24Å; M25-E29 WeakPolarHBondContact CA-OE2 3.35Å; M25-E29 HydrophobicContact CB-CB 3.9Å; M25-E29 HydrophobicContact CG-CB 4.34Å; M25-Q30 HydrophobicContact CB-CG 3.71Å; M25-Q30 PolarHBondContact O-NE2 2.96Å |
| 26 | N | 90.1 | Very high | 89.8 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | trans | -72.4 | 169.3 | 167.7 | 66.9 | 49.5 | 0 | 0 | 0 | 111.1 | D28 E29 Q30 | N26-D28 VanDerWaalsContact C-N 3.29Å; N26-D28 PolarHBondContact O-N 3.35Å; N26-D28 WeakPolarHBondContact OD1-CB 3.29Å; N26-D28 PolarHBondContact OD1-N 3.14Å; N26-D28 VanDerWaalsContact OD1-N 3.15Å; N26-E29 PolarHBondContact N-OE2 3.35Å; N26-E29 VanDerWaalsContact ND2-CD 3.33Å; N26-E29 PolarHBondContact ND2-OE2 3.41Å; N26-E29 PolarHBondContact O-N 3.06Å; N26-E29 WeakPolarHBondContact OD1-CB 3.48Å; N26-E29 WeakPolarHBondContact OD1-CG 3.25Å; N26-E29 PolarHBondContact OD1-N 2.96Å; N26-Q30 VanDerWaalsContact O-CG 3.3Å; N26-Q30 WeakPolarHBondContact O-CG 3.39Å; N26-Q30 PolarHBondContact O-N 2.99Å | ||
| 27 | D | 86.9 | Confident | 89.8 | Confident | 121 Ų | 121 | 83.7 Ų | 83.7 | 65% | 0.647 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.5 | -33.2 | -174.2 | -67.2 | -21.4 | 0 | 0 | 0 | 112.8 | Q30 T31 | D27-Q30 PolarHBondContact O-N 2.87Å; D27-T31 WeakPolarHBondContact O-CB 3.26Å; D27-T31 PolarHBondContact O-N 3.41Å; D27-T31 PolarHBondContact O-OG1 2.82Å |
| 28 | D | 86.9 | Confident | 89.7 | Confident | 113 Ų | 113 | 80.2 Ų | 80.2 | 60% | 0.604 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.4 | -46 | 177.7 | -62.7 | -26.5 | 0 | 0 | 0 | 111.2 | N26 Q30 T31 Q32 | N26-D28 VanDerWaalsContact C-N 3.29Å; N26-D28 PolarHBondContact O-N 3.35Å; N26-D28 WeakPolarHBondContact OD1-CB 3.29Å; N26-D28 PolarHBondContact OD1-N 3.14Å; N26-D28 VanDerWaalsContact OD1-N 3.15Å; D28-Q30 VanDerWaalsContact C-N 3.33Å; D28-Q30 PolarHBondContact O-N 3.22Å; D28-T31 WeakPolarHBondContact O-CB 3.3Å; D28-T31 PolarHBondContact O-N 3.15Å; D28-Q32 WeakPolarHBondContact O-CG 3.26Å; D28-Q32 PolarHBondContact O-N 3.46Å |
| 29 | E | 88.7 | Confident | 89.5 | Confident | 80 Ų | 80 | 81.1 Ų | 81.1 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 173.9 | -73.9 | 172.9 | 147.1 | 0 | 0 | 110.4 | M25 N26 T31 Q32 W33 | M25-E29 VanDerWaalsContact CA-OE2 3.24Å; M25-E29 WeakPolarHBondContact CA-OE2 3.35Å; M25-E29 HydrophobicContact CB-CB 3.9Å; M25-E29 HydrophobicContact CG-CB 4.34Å; N26-E29 PolarHBondContact N-OE2 3.35Å; N26-E29 VanDerWaalsContact ND2-CD 3.33Å; N26-E29 PolarHBondContact ND2-OE2 3.41Å; N26-E29 PolarHBondContact O-N 3.06Å; N26-E29 WeakPolarHBondContact OD1-CB 3.48Å; N26-E29 WeakPolarHBondContact OD1-CG 3.25Å; N26-E29 PolarHBondContact OD1-N 2.96Å; E29-T31 VanDerWaalsContact C-N 3.3Å; E29-T31 PolarHBondContact O-N 3.43Å; E29-Q32 PolarHBondContact O-N 2.9Å; E29-W33 WeakPolarHBondContact O-CB 3.5Å; E29-W33 PolarHBondContact O-N 3.38Å |
| 30 | Q | 89.1 | Confident | 89.5 | Confident | 35 Ų | 35 | 80.2 Ų | 80.2 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.5 | -70.2 | -179.7 | 51.2 | 0 | 0 | 111.9 | K22 M25 N26 D27 D28 T34 | K22-Q30 HydrophobicContact CG-CG 3.97Å; K22-Q30 PolarHBondContact O-NE2 3.2Å; M25-Q30 HydrophobicContact CB-CG 3.71Å; M25-Q30 PolarHBondContact O-NE2 2.96Å; N26-Q30 VanDerWaalsContact O-CG 3.3Å; N26-Q30 WeakPolarHBondContact O-CG 3.39Å; N26-Q30 PolarHBondContact O-N 2.99Å; D27-Q30 PolarHBondContact O-N 2.87Å; D28-Q30 VanDerWaalsContact C-N 3.33Å; D28-Q30 PolarHBondContact O-N 3.22Å; Q30-T34 VanDerWaalsContact O-CB 3.23Å; Q30-T34 WeakPolarHBondContact O-CB 3.33Å; Q30-T34 PolarHBondContact O-N 2.81Å; Q30-T34 PolarHBondContact O-OG1 3.19Å |
| 31 | T | 88.8 | Confident | 89.3 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 18% | 0.184 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 177.6 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | D27 D28 E29 T34 L35 V64 A68 | D27-T31 WeakPolarHBondContact O-CB 3.26Å; D27-T31 PolarHBondContact O-N 3.41Å; D27-T31 PolarHBondContact O-OG1 2.82Å; D28-T31 WeakPolarHBondContact O-CB 3.3Å; D28-T31 PolarHBondContact O-N 3.15Å; E29-T31 VanDerWaalsContact C-N 3.3Å; E29-T31 PolarHBondContact O-N 3.43Å; T31-T34 PolarHBondContact O-N 2.68Å; T31-L35 WeakPolarHBondContact O-CB 3.48Å; T31-L35 PolarHBondContact O-N 3.41Å; T31-V64 HydrophobicContact CG2-CG1 4.07Å; T31-A68 HydrophobicContact CG2-CB 3.96Å |
| 32 | Q | 88.8 | Confident | 89.1 | Confident | 124 Ų | 124 | 72.4 Ų | 72.4 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.6 | -47.1 | 179.4 | -73.9 | -170.1 | -17.4 | 0 | 0 | 112.5 | D28 E29 T34 L35 Q36 | D28-Q32 WeakPolarHBondContact O-CG 3.26Å; D28-Q32 PolarHBondContact O-N 3.46Å; E29-Q32 PolarHBondContact O-N 2.9Å; Q32-T34 VanDerWaalsContact C-N 3.34Å; Q32-T34 PolarHBondContact O-N 2.94Å; Q32-L35 PolarHBondContact O-N 2.94Å; Q32-Q36 WeakPolarHBondContact O-CG 3.5Å; Q32-Q36 PolarHBondContact O-N 2.88Å |
| 33 | W | 90.9 | Very high | 89.1 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 177.8 | -79.5 | 112.7 | 0 | 0 | 0 | 112.2 | F18 E29 L37 | F18-W33 HydrophobicContact CD2-CB 3.52Å; F18-W33 HydrophobicContact CD2-CG 4.05Å; F18-W33 HydrophobicContact CE2-CB 3.39Å; F18-W33 HydrophobicContact CE2-CG 4.2Å; F18-W33 HydrophobicContact CG-CB 4.36Å; F18-W33 HydrophobicContact CZ-CB 4.13Å; E29-W33 WeakPolarHBondContact O-CB 3.5Å; E29-W33 PolarHBondContact O-N 3.38Å; W33-L37 HydrophobicContact CE3-CD1 4.26Å; W33-L37 HydrophobicContact CE3-CG 4.35Å; W33-L37 VanDerWaalsContact O-CB 3.3Å; W33-L37 WeakPolarHBondContact O-CB 3.41Å; W33-L37 VanDerWaalsContact O-CG 3.26Å; W33-L37 WeakPolarHBondContact O-CG 3.36Å; W33-L37 PolarHBondContact O-N 2.9Å |
| 34 | T | 90.8 | Very high | 89 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 174.8 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | F18 Q30 T31 Q32 Q36 Y38 V60 V64 | F18-T34 WeakPolarHBondContact CZ-OG1 3.37Å; Q30-T34 VanDerWaalsContact O-CB 3.23Å; Q30-T34 WeakPolarHBondContact O-CB 3.33Å; Q30-T34 PolarHBondContact O-N 2.81Å; Q30-T34 PolarHBondContact O-OG1 3.19Å; T31-T34 PolarHBondContact O-N 2.68Å; Q32-T34 VanDerWaalsContact C-N 3.34Å; Q32-T34 PolarHBondContact O-N 2.94Å; T34-Q36 PolarHBondContact O-N 3.49Å; T34-Y38 HydrophobicContact CG2-CD2 3.72Å; T34-Y38 HydrophobicContact CG2-CE2 4.09Å; T34-Y38 HydrophobicContact CG2-CG 4.46Å; T34-Y38 WeakPolarHBondContact O-CB 3.23Å; T34-Y38 WeakPolarHBondContact O-CD2 3.44Å; T34-Y38 PolarHBondContact O-N 3Å; T34-V60 HydrophobicContact CG2-CG1 3.99Å; T34-V64 HydrophobicContact CG2-CB 4.13Å; T34-V64 HydrophobicContact CG2-CG1 4.22Å; T34-V64 HydrophobicContact CG2-CG2 3.99Å |
| 35 | L | 89.1 | Confident | 88.9 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.6 | -56 | 176.8 | 172.9 | 60.4 | 0 | 0 | 0 | 110.6 | T31 Q32 L37 D39 V61 V65 V75 L79 | T31-L35 WeakPolarHBondContact O-CB 3.48Å; T31-L35 PolarHBondContact O-N 3.41Å; Q32-L35 PolarHBondContact O-N 2.94Å; L35-L37 PolarHBondContact O-N 3.48Å; L35-D39 WeakPolarHBondContact O-CB 3.39Å; L35-D39 PolarHBondContact O-N 3.35Å; L35-V61 HydrophobicContact CB-CG1 4.47Å; L35-V61 HydrophobicContact CD1-CG1 3.44Å; L35-V61 VanDerWaalsContact CD1-CG1 3.44Å; L35-V65 HydrophobicContact CB-CG2 4.41Å; L35-V65 HydrophobicContact CD1-CG2 4.11Å; L35-V75 HydrophobicContact CD1-CG1 4.06Å; L35-V75 HydrophobicContact CD2-CG1 3.71Å; L35-L79 HydrophobicContact CD1-CD1 4.08Å; L35-L79 HydrophobicContact CD1-CD2 4.47Å |
| 36 | Q | 89.1 | Confident | 88.8 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 54% | 0.542 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | -176.8 | -70.3 | 176.9 | -1.3 | 0 | 0 | 113 | Q32 T34 E40 | Q32-Q36 WeakPolarHBondContact O-CG 3.5Å; Q32-Q36 PolarHBondContact O-N 2.88Å; T34-Q36 PolarHBondContact O-N 3.49Å; Q36-E40 VanDerWaalsContact O-CB 3.3Å; Q36-E40 WeakPolarHBondContact O-CB 3.39Å; Q36-E40 PolarHBondContact O-N 3.48Å |
| 37 | L | 90 | Very high | 88.7 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.5 | -45 | -171.1 | -68.5 | 172.6 | 0 | 0 | 0 | 112.6 | A14 L15 F18 W33 L35 L41 | A14-L37 HydrophobicContact CB-CD2 3.65Å; L15-L37 HydrophobicContact CD1-CB 4.25Å; L15-L37 HydrophobicContact CD1-CD1 4.2Å; F18-L37 HydrophobicContact CB-CD1 3.64Å; F18-L37 HydrophobicContact CD1-CD1 4.1Å; F18-L37 HydrophobicContact CG-CD1 3.85Å; W33-L37 HydrophobicContact CE3-CD1 4.26Å; W33-L37 HydrophobicContact CE3-CG 4.35Å; W33-L37 VanDerWaalsContact O-CB 3.3Å; W33-L37 WeakPolarHBondContact O-CB 3.41Å; W33-L37 VanDerWaalsContact O-CG 3.26Å; W33-L37 WeakPolarHBondContact O-CG 3.36Å; W33-L37 PolarHBondContact O-N 2.9Å; L35-L37 PolarHBondContact O-N 3.48Å; L37-L41 VanDerWaalsContact O-CB 3.27Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 PolarHBondContact O-N 3.35Å |
| 38 | Y | 89.3 | Confident | 88.7 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79.2 | -28.7 | -177.3 | -76.2 | -97.8 | 0 | 0 | 0 | 111.9 | L15 K19 T34 L41 S42 H57 V60 V61 | L15-Y38 HydrophobicContact CD1-CD2 3.92Å; L15-Y38 HydrophobicContact CD1-CE2 3.32Å; K19-Y38 VanDerWaalsContact CE-OH 3.29Å; K19-Y38 WeakPolarHBondContact CE-OH 3.4Å; T34-Y38 HydrophobicContact CG2-CD2 3.72Å; T34-Y38 HydrophobicContact CG2-CE2 4.09Å; T34-Y38 HydrophobicContact CG2-CG 4.46Å; T34-Y38 WeakPolarHBondContact O-CB 3.23Å; T34-Y38 WeakPolarHBondContact O-CD2 3.44Å; T34-Y38 PolarHBondContact O-N 3Å; Y38-L41 PolarHBondContact O-N 3.23Å; Y38-S42 WeakPolarHBondContact O-CB 3.44Å; Y38-S42 PolarHBondContact O-N 3.5Å; Y38-H57 HydrophobicContact CD1-CB 3.96Å; Y38-H57 AromaticContact CD1-CD2 3.45Å; Y38-H57 VanDerWaalsContact CD1-CD2 3.45Å; Y38-H57 WeakPolarHBondContact CD1-CD2 3.46Å; Y38-H57 AromaticContact CD1-CG 3.94Å; Y38-H57 AromaticContact CE1-CD2 3.62Å; Y38-V60 HydrophobicContact CD1-CB 4.08Å; Y38-V60 HydrophobicContact CD1-CG1 3.97Å; Y38-V60 HydrophobicContact CD2-CG1 4.31Å; Y38-V60 HydrophobicContact CE1-CB 4.19Å; Y38-V60 HydrophobicContact CE1-CG1 3.86Å; Y38-V60 HydrophobicContact CE1-CG2 4.32Å; Y38-V60 HydrophobicContact CE2-CG1 4.2Å; Y38-V60 HydrophobicContact CG-CG1 4.19Å; Y38-V61 HydrophobicContact CG-CG2 4.38Å |
| 39 | D | 88 | Confident | 88.8 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 174.4 | -166.1 | 43 | 0 | 0 | 0 | 111.4 | L35 L41 S42 N43 V61 L79 R82 | L35-D39 WeakPolarHBondContact O-CB 3.39Å; L35-D39 PolarHBondContact O-N 3.35Å; D39-L41 VanDerWaalsContact C-N 3.33Å; D39-L41 PolarHBondContact O-N 3.28Å; D39-S42 PolarHBondContact O-N 3.03Å; D39-N43 PolarHBondContact O-N 3.39Å; D39-V61 HydrophobicContact CB-CG2 4.48Å; D39-L79 WeakPolarHBondContact OD1-CD2 3.34Å; D39-R82 IonicContact OD1-CZ 3.7Å; D39-R82 IonicContact OD1-NE 3.98Å; D39-R82 IonicContact OD1-NH1 2.88Å; D39-R82 PolarHBondContact OD1-NH1 3.31Å; D39-R82 IonicContact OD1-NH2 2.66Å; D39-R82 PolarHBondContact OD1-NH2 3.03Å; D39-R82 IonicContact OD2-CZ 3.98Å; D39-R82 IonicContact OD2-NH1 3.5Å; D39-R82 PolarHBondContact OD2-NH1 2.99Å; D39-R82 IonicContact OD2-NH2 3.82Å; D39-R82 PolarHBondContact OD2-NH2 3.04Å |
| 40 | E | 89.3 | Confident | 88.8 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.8 | -170.9 | 64.9 | -156 | 0 | 0 | 111.5 | I11 Q36 N43 N44 | I11-E40 HydrophobicContact CD1-CB 4.28Å; I11-E40 HydrophobicContact CD1-CG 3.46Å; I11-E40 VanDerWaalsContact CD1-CG 3.46Å; I11-E40 HydrophobicContact CG1-CG 4Å; Q36-E40 VanDerWaalsContact O-CB 3.3Å; Q36-E40 WeakPolarHBondContact O-CB 3.39Å; Q36-E40 PolarHBondContact O-N 3.48Å; E40-N43 PolarHBondContact O-N 3.08Å; E40-N44 WeakPolarHBondContact O-CB 3.49Å; E40-N44 PolarHBondContact O-N 3.18Å |
| 41 | L | 88.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 177.2 | -171.4 | 59.3 | 0 | 0 | 0 | 111.7 | I11 L15 L37 Y38 D39 N44 E45 H57 | I11-L41 HydrophobicContact CG2-CB 3.97Å; I11-L41 HydrophobicContact CG2-CD1 4.12Å; L15-L41 HydrophobicContact CD2-CD2 4.32Å; L37-L41 VanDerWaalsContact O-CB 3.27Å; L37-L41 WeakPolarHBondContact O-CB 3.49Å; L37-L41 PolarHBondContact O-N 3.35Å; Y38-L41 PolarHBondContact O-N 3.23Å; D39-L41 VanDerWaalsContact C-N 3.33Å; D39-L41 PolarHBondContact O-N 3.28Å; L41-N44 PolarHBondContact O-N 3.13Å; L41-E45 WeakPolarHBondContact O-CB 3.34Å; L41-E45 VanDerWaalsContact O-CG 3.29Å; L41-E45 WeakPolarHBondContact O-CG 3.43Å; L41-E45 PolarHBondContact O-N 2.62Å; L41-H57 WeakPolarHBondContact CD2-CE1 2.9Å; L41-H57 WeakPolarHBondContact CD2-ND1 3.36Å; L41-H57 WeakPolarHBondContact CD2-NE2 3.45Å |
| 42 | S | 88.5 | Confident | 89.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 176 | 169 | 0 | 0 | 0 | 0 | 111.9 | Y38 D39 N44 E45 Y46 A54 L58 | Y38-S42 WeakPolarHBondContact O-CB 3.44Å; Y38-S42 PolarHBondContact O-N 3.5Å; D39-S42 PolarHBondContact O-N 3.03Å; S42-N44 VanDerWaalsContact C-N 3.29Å; S42-N44 PolarHBondContact O-N 3.4Å; S42-E45 PolarHBondContact O-N 3.34Å; S42-E45 VanDerWaalsContact O-N 3.15Å; S42-Y46 WeakPolarHBondContact O-CB 3.19Å; S42-Y46 PolarHBondContact O-N 3.23Å; S42-A54 PolarHBondContact OG-O 3.02Å; S42-L58 WeakPolarHBondContact OG-CD1 3.31Å; S42-L58 WeakPolarHBondContact OG-CG 3.44Å |
| 43 | N | 87.5 | Confident | 89.6 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 177.8 | -73.5 | -19.1 | 0 | 0 | 0 | 110.7 | D39 E40 E45 Y46 D47 R82 | D39-N43 PolarHBondContact O-N 3.39Å; E40-N43 PolarHBondContact O-N 3.08Å; N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 3.39Å; N43-Y46 PolarHBondContact O-N 3.11Å; N43-D47 PolarHBondContact O-N 3.4Å; N43-R82 PolarHBondContact ND2-NH1 3.18Å; N43-R82 VanDerWaalsContact ND2-NH1 3.11Å; N43-R82 PolarHBondContact OD1-NH1 2.94Å |
| 44 | N | 87.9 | Confident | 89.7 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.7 | -174.8 | -96.7 | 0 | 0 | 0 | 112.8 | S4 E40 L41 S42 D47 L48 | S4-N44 PolarHBondContact O-ND2 2.89Å; S4-N44 PolarHBondContact OG-ND2 3.34Å; E40-N44 WeakPolarHBondContact O-CB 3.49Å; E40-N44 PolarHBondContact O-N 3.18Å; L41-N44 PolarHBondContact O-N 3.13Å; S42-N44 VanDerWaalsContact C-N 3.29Å; S42-N44 PolarHBondContact O-N 3.4Å; N44-D47 PolarHBondContact O-N 3.05Å; N44-L48 WeakPolarHBondContact O-CB 3.3Å; N44-L48 VanDerWaalsContact O-CG 3.24Å; N44-L48 WeakPolarHBondContact O-CG 3.27Å; N44-L48 PolarHBondContact O-N 3.46Å; N44-L48 VanDerWaalsContact O-N 3.08Å; N44-L48 WeakPolarHBondContact OD1-CD1 3.29Å |
| 45 | E | 89.1 | Confident | 90 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.5 | -35.3 | -179.7 | -76 | 168 | 168.8 | 0 | 0 | 112.8 | K8 L41 S42 N43 D47 L48 E49 R50 D53 A54 H57 | K8-E45 IonicContact NZ-OE1 2.74Å; L41-E45 WeakPolarHBondContact O-CB 3.34Å; L41-E45 VanDerWaalsContact O-CG 3.29Å; L41-E45 WeakPolarHBondContact O-CG 3.43Å; L41-E45 PolarHBondContact O-N 2.62Å; S42-E45 PolarHBondContact O-N 3.34Å; S42-E45 VanDerWaalsContact O-N 3.15Å; N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 3.39Å; E45-D47 VanDerWaalsContact C-N 3.35Å; E45-L48 CarbonylContact O-C 3.47Å; E45-L48 PolarHBondContact O-N 3.25Å; E45-E49 PolarHBondContact O-N 2.94Å; E45-R50 HydrophobicContact CB-CB 4.13Å; E45-R50 HydrophobicContact CG-CB 4.46Å; E45-R50 WeakPolarHBondContact O-CA 3.41Å; E45-R50 PolarHBondContact O-N 3.45Å; E45-D53 HydrophobicContact CB-CB 4.28Å; E45-D53 HydrophobicContact CG-CB 4.07Å; E45-D53 WeakPolarHBondContact OE2-CB 3.49Å; E45-A54 HydrophobicContact CB-CB 3.97Å; E45-A54 PolarHBondContact OE2-N 3.11Å; E45-H57 IonicContact OE1-CE1 3.23Å; E45-H57 PolarHBondContact OE1-CE1 2.86Å; E45-H57 VanDerWaalsContact OE1-CE1 3.28Å; E45-H57 IonicContact OE1-ND1 2.62Å; E45-H57 PolarHBondContact OE1-ND1 3.36Å; E45-H57 IonicContact OE2-CE1 3.82Å; E45-H57 PolarHBondContact OE2-CE1 3.23Å; E45-H57 VanDerWaalsContact OE2-CE1 3.23Å; E45-H57 IonicContact OE2-CG 3.81Å; E45-H57 IonicContact OE2-ND1 3.28Å; E45-H57 PolarHBondContact OE2-ND1 3.37Å |
| 46 | Y | 87.7 | Confident | 90.3 | Very high | 84 Ų | 84 | 56.7 Ų | 56.7 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 171.2 | -174.5 | -93.8 | 0 | 0 | 0 | 111.2 | S42 N43 L48 E49 I51 V86 K89 | S42-Y46 WeakPolarHBondContact O-CB 3.19Å; S42-Y46 PolarHBondContact O-N 3.23Å; N43-Y46 PolarHBondContact O-N 3.11Å; Y46-L48 PolarHBondContact O-N 3.06Å; Y46-E49 PolarHBondContact O-N 2.99Å; Y46-I51 HydrophobicContact CD2-CD1 3.87Å; Y46-I51 HydrophobicContact CE2-CD1 4.2Å; Y46-V86 HydrophobicContact CD2-CG2 3.76Å; Y46-V86 HydrophobicContact CE2-CG2 4.12Å; Y46-K89 HydrophobicContact CE2-CD 4.12Å |
| 47 | D | 87.6 | Confident | 90.5 | Very high | 123 Ų | 123 | 52.7 Ų | 52.7 | 66% | 0.658 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.7 | -29.7 | 176.7 | -73 | -10.3 | 0 | 0 | 0 | 112.9 | N43 N44 E45 E49 | N43-D47 PolarHBondContact O-N 3.4Å; N44-D47 PolarHBondContact O-N 3.05Å; E45-D47 VanDerWaalsContact C-N 3.35Å; D47-E49 VanDerWaalsContact C-N 3.27Å |
| 48 | L | 87.4 | Confident | 90.8 | Very high | 63 Ų | 63 | 52 Ų | 52 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 10 | 174.9 | -68.1 | 175.3 | 0 | 0 | 0 | 113.3 | K8 N44 E45 Y46 R50 | K8-L48 HydrophobicContact CD-CD1 4.25Å; N44-L48 WeakPolarHBondContact O-CB 3.3Å; N44-L48 VanDerWaalsContact O-CG 3.24Å; N44-L48 WeakPolarHBondContact O-CG 3.27Å; N44-L48 PolarHBondContact O-N 3.46Å; N44-L48 VanDerWaalsContact O-N 3.08Å; N44-L48 WeakPolarHBondContact OD1-CD1 3.29Å; E45-L48 CarbonylContact O-C 3.47Å; E45-L48 PolarHBondContact O-N 3.25Å; Y46-L48 PolarHBondContact O-N 3.06Å; L48-R50 HydrophobicContact CB-CG 4.32Å; L48-R50 PolarHBondContact O-N 3.23Å; L48-R50 VanDerWaalsContact O-N 3.16Å |
| 49 | E | 88.8 | Confident | 91.1 | Very high | 149 Ų | 149 | 56 Ų | 56 | 70% | 0.696 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 22.5 | -177.3 | -53.5 | -163.9 | 141.9 | 0 | 0 | 115 | E45 Y46 D47 I51 K89 | E45-E49 PolarHBondContact O-N 2.94Å; Y46-E49 PolarHBondContact O-N 2.99Å; D47-E49 VanDerWaalsContact C-N 3.27Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.08Å; E49-I51 VanDerWaalsContact O-N 3.14Å; E49-K89 IonicContact OE1-NZ 2.66Å |
| 50 | R | 89.7 | Confident | 91.3 | Very high | 121 Ų | 121 | 57.1 Ų | 57.1 | 46% | 0.457 | 28% | 0.283 | S | S | . | . | trans | -90.7 | 65.1 | 175.7 | -64.6 | 176.6 | -177.2 | -147.3 | -0.5 | 110.2 | E45 L48 N52 D53 A54 | E45-R50 HydrophobicContact CB-CB 4.13Å; E45-R50 HydrophobicContact CG-CB 4.46Å; E45-R50 WeakPolarHBondContact O-CA 3.41Å; E45-R50 PolarHBondContact O-N 3.45Å; L48-R50 HydrophobicContact CB-CG 4.32Å; L48-R50 PolarHBondContact O-N 3.23Å; L48-R50 VanDerWaalsContact O-N 3.16Å; R50-N52 VanDerWaalsContact C-N 3.29Å; R50-N52 PolarHBondContact O-N 2.8Å; R50-D53 HydrophobicContact CB-CB 4.2Å; R50-D53 PolarHBondContact O-N 3.5Å; R50-D53 VanDerWaalsContact O-N 3.08Å; R50-A54 PolarHBondContact O-N 3.23Å | ||
| 51 | I | 94.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | -167.2 | -51.9 | -48.9 | 0 | 0 | 0 | 112.5 | Y46 E49 A54 C55 V86 K89 M90 | Y46-I51 HydrophobicContact CD2-CD1 3.87Å; Y46-I51 HydrophobicContact CE2-CD1 4.2Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 3.08Å; E49-I51 VanDerWaalsContact O-N 3.14Å; I51-A54 PolarHBondContact O-N 3.34Å; I51-C55 WeakPolarHBondContact O-CB 3.39Å; I51-C55 PolarHBondContact O-N 3.1Å; I51-V86 HydrophobicContact CG2-CG1 3.84Å; I51-K89 HydrophobicContact CD1-CD 3.56Å; I51-K89 HydrophobicContact CD1-CG 4.35Å; I51-K89 HydrophobicContact CG1-CD 3.75Å; I51-K89 HydrophobicContact CG1-CG 4.02Å; I51-K89 HydrophobicContact CG2-CB 4.22Å; I51-K89 HydrophobicContact CG2-CG 4.4Å; I51-M90 HydrophobicContact CB-CG 4.37Å; I51-M90 HydrophobicContact CG2-CG 3.43Å; I51-M90 VanDerWaalsContact CG2-CG 3.43Å; I51-M90 HydrophobicContact CG2-SD 4.03Å |
| 52 | N | 94.6 | Very high | 91.8 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 58% | 0.583 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 174.8 | -68.8 | -47.7 | 0 | 0 | 0 | 112.6 | R50 C55 V56 M90 | R50-N52 VanDerWaalsContact C-N 3.29Å; R50-N52 PolarHBondContact O-N 2.8Å; N52-C55 WeakPolarHBondContact O-CB 3.38Å; N52-C55 PolarHBondContact O-N 3.17Å; N52-V56 WeakPolarHBondContact O-CG2 3.24Å; N52-V56 PolarHBondContact O-N 3.38Å; N52-V56 VanDerWaalsContact O-N 3.11Å; N52-M90 WeakPolarHBondContact OD1-CE 3.27Å |
| 53 | D | 92.7 | Very high | 92 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 179.4 | -62.8 | -20.1 | 0 | 0 | 0 | 109.6 | E45 R50 C55 V56 H57 | E45-D53 HydrophobicContact CB-CB 4.28Å; E45-D53 HydrophobicContact CG-CB 4.07Å; E45-D53 WeakPolarHBondContact OE2-CB 3.49Å; R50-D53 HydrophobicContact CB-CB 4.2Å; R50-D53 PolarHBondContact O-N 3.5Å; R50-D53 VanDerWaalsContact O-N 3.08Å; D53-C55 VanDerWaalsContact C-N 3.33Å; D53-C55 PolarHBondContact O-N 3.16Å; D53-V56 PolarHBondContact O-N 3.01Å; D53-H57 PolarHBondContact O-N 3.32Å; D53-H57 PolarHBondContact O-ND1 2.97Å; D53-H57 VanDerWaalsContact O-ND1 3.13Å |
| 54 | A | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S42 E45 R50 I51 V56 H57 L58 V86 | S42-A54 PolarHBondContact OG-O 3.02Å; E45-A54 HydrophobicContact CB-CB 3.97Å; E45-A54 PolarHBondContact OE2-N 3.11Å; R50-A54 PolarHBondContact O-N 3.23Å; I51-A54 PolarHBondContact O-N 3.34Å; A54-V56 PolarHBondContact O-N 3.14Å; A54-H57 PolarHBondContact O-N 3.2Å; A54-L58 WeakPolarHBondContact O-CB 3.36Å; A54-L58 PolarHBondContact O-N 3.09Å; A54-V86 HydrophobicContact CB-CG2 4.47Å |
| 55 | C | 96.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 176.1 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | I51 N52 D53 H57 L58 Q59 V86 M90 | I51-C55 WeakPolarHBondContact O-CB 3.39Å; I51-C55 PolarHBondContact O-N 3.1Å; N52-C55 WeakPolarHBondContact O-CB 3.38Å; N52-C55 PolarHBondContact O-N 3.17Å; D53-C55 VanDerWaalsContact C-N 3.33Å; D53-C55 PolarHBondContact O-N 3.16Å; C55-H57 VanDerWaalsContact C-N 3.33Å; C55-H57 PolarHBondContact O-N 3.12Å; C55-L58 PolarHBondContact O-N 3.41Å; C55-Q59 WeakPolarHBondContact O-CB 3.43Å; C55-Q59 PolarHBondContact O-N 3.24Å; C55-V86 HydrophobicContact CB-CG1 3.55Å; C55-M90 HydrophobicContact CB-SD 3.87Å |
| 56 | V | 95.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 179.2 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | N52 D53 A54 Q59 V60 | N52-V56 WeakPolarHBondContact O-CG2 3.24Å; N52-V56 PolarHBondContact O-N 3.38Å; N52-V56 VanDerWaalsContact O-N 3.11Å; D53-V56 PolarHBondContact O-N 3.01Å; A54-V56 PolarHBondContact O-N 3.14Å; V56-Q59 PolarHBondContact O-N 3.24Å; V56-V60 WeakPolarHBondContact O-CG2 3.49Å; V56-V60 PolarHBondContact O-N 2.89Å |
| 57 | H | 94.1 | Very high | 92.3 | Very high | 33 Ų | 33 | 60 Ų | 60 | 15% | 0.153 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.7 | -39.7 | -179.1 | -65 | 133.8 | 0 | 0 | 0 | 113 | Y38 L41 E45 D53 A54 C55 Q59 V60 V61 | Y38-H57 HydrophobicContact CD1-CB 3.96Å; Y38-H57 AromaticContact CD1-CD2 3.45Å; Y38-H57 VanDerWaalsContact CD1-CD2 3.45Å; Y38-H57 WeakPolarHBondContact CD1-CD2 3.46Å; Y38-H57 AromaticContact CD1-CG 3.94Å; Y38-H57 AromaticContact CE1-CD2 3.62Å; L41-H57 WeakPolarHBondContact CD2-CE1 2.9Å; L41-H57 WeakPolarHBondContact CD2-ND1 3.36Å; L41-H57 WeakPolarHBondContact CD2-NE2 3.45Å; E45-H57 IonicContact OE1-CE1 3.23Å; E45-H57 PolarHBondContact OE1-CE1 2.86Å; E45-H57 VanDerWaalsContact OE1-CE1 3.28Å; E45-H57 IonicContact OE1-ND1 2.62Å; E45-H57 PolarHBondContact OE1-ND1 3.36Å; E45-H57 IonicContact OE2-CE1 3.82Å; E45-H57 PolarHBondContact OE2-CE1 3.23Å; E45-H57 VanDerWaalsContact OE2-CE1 3.23Å; E45-H57 IonicContact OE2-CG 3.81Å; E45-H57 IonicContact OE2-ND1 3.28Å; E45-H57 PolarHBondContact OE2-ND1 3.37Å; D53-H57 PolarHBondContact O-N 3.32Å; D53-H57 PolarHBondContact O-ND1 2.97Å; D53-H57 VanDerWaalsContact O-ND1 3.13Å; A54-H57 PolarHBondContact O-N 3.2Å; C55-H57 VanDerWaalsContact C-N 3.33Å; C55-H57 PolarHBondContact O-N 3.12Å; H57-Q59 VanDerWaalsContact C-N 3.28Å; H57-Q59 PolarHBondContact O-N 3.41Å; H57-V60 PolarHBondContact O-N 2.95Å; H57-V61 WeakPolarHBondContact O-CG2 3.14Å; H57-V61 PolarHBondContact O-N 2.89Å; H57-V61 VanDerWaalsContact O-N 3.09Å |
| 58 | L | 95.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 172 | -83.4 | 160.5 | 0 | 0 | 0 | 111.8 | S42 A54 C55 V60 V61 I62 L79 R82 M83 V86 | S42-L58 WeakPolarHBondContact OG-CD1 3.31Å; S42-L58 WeakPolarHBondContact OG-CG 3.44Å; A54-L58 WeakPolarHBondContact O-CB 3.36Å; A54-L58 PolarHBondContact O-N 3.09Å; C55-L58 PolarHBondContact O-N 3.41Å; L58-V60 VanDerWaalsContact C-N 3.3Å; L58-V60 PolarHBondContact O-N 3.4Å; L58-V61 PolarHBondContact O-N 3.5Å; L58-I62 WeakPolarHBondContact O-CB 3.29Å; L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.95Å; L58-L79 HydrophobicContact CD2-CD2 3.94Å; L58-R82 HydrophobicContact CD1-CB 4.15Å; L58-R82 HydrophobicContact CD2-CB 4.16Å; L58-M83 HydrophobicContact CB-CE 3.54Å; L58-M83 HydrophobicContact CB-SD 4.29Å; L58-V86 HydrophobicContact CD1-CG2 3.81Å |
| 59 | Q | 95.9 | Very high | 91.1 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 52% | 0.519 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 178.7 | -170.3 | 177.6 | 11.3 | 0 | 0 | 111.2 | C55 V56 H57 Q63 M83 | C55-Q59 WeakPolarHBondContact O-CB 3.43Å; C55-Q59 PolarHBondContact O-N 3.24Å; V56-Q59 PolarHBondContact O-N 3.24Å; H57-Q59 VanDerWaalsContact C-N 3.28Å; H57-Q59 PolarHBondContact O-N 3.41Å; Q59-Q63 VanDerWaalsContact O-CB 3.25Å; Q59-Q63 WeakPolarHBondContact O-CB 3.48Å; Q59-Q63 PolarHBondContact O-N 3.34Å; Q59-M83 HydrophobicContact CB-CE 3.83Å; Q59-M83 VanDerWaalsContact N-CE 3.3Å |
| 60 | V | 93.1 | Very high | 90 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | T34 Y38 V56 H57 L58 V64 | T34-V60 HydrophobicContact CG2-CG1 3.99Å; Y38-V60 HydrophobicContact CD1-CB 4.08Å; Y38-V60 HydrophobicContact CD1-CG1 3.97Å; Y38-V60 HydrophobicContact CD2-CG1 4.31Å; Y38-V60 HydrophobicContact CE1-CB 4.19Å; Y38-V60 HydrophobicContact CE1-CG1 3.86Å; Y38-V60 HydrophobicContact CE1-CG2 4.32Å; Y38-V60 HydrophobicContact CE2-CG1 4.2Å; Y38-V60 HydrophobicContact CG-CG1 4.19Å; V56-V60 WeakPolarHBondContact O-CG2 3.49Å; V56-V60 PolarHBondContact O-N 2.89Å; H57-V60 PolarHBondContact O-N 2.95Å; L58-V60 VanDerWaalsContact C-N 3.3Å; L58-V60 PolarHBondContact O-N 3.4Å; V60-V64 WeakPolarHBondContact O-CG2 3.37Å; V60-V64 PolarHBondContact O-N 2.66Å; V60-V64 VanDerWaalsContact O-N 3.12Å |
| 61 | V | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 179.1 | 177.8 | 0 | 0 | 0 | 0 | 111 | L35 Y38 D39 H57 L58 Q63 V64 V65 L79 | L35-V61 HydrophobicContact CB-CG1 4.47Å; L35-V61 HydrophobicContact CD1-CG1 3.44Å; L35-V61 VanDerWaalsContact CD1-CG1 3.44Å; Y38-V61 HydrophobicContact CG-CG2 4.38Å; D39-V61 HydrophobicContact CB-CG2 4.48Å; H57-V61 WeakPolarHBondContact O-CG2 3.14Å; H57-V61 PolarHBondContact O-N 2.89Å; H57-V61 VanDerWaalsContact O-N 3.09Å; L58-V61 PolarHBondContact O-N 3.5Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 3.26Å; V61-V64 PolarHBondContact O-N 3.11Å; V61-V65 HydrophobicContact CG1-CG2 4.06Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.07Å; V61-V65 PolarHBondContact O-N 2.86Å; V61-L79 HydrophobicContact CB-CD2 4.34Å; V61-L79 HydrophobicContact CG1-CD1 3.61Å; V61-L79 HydrophobicContact CG1-CD2 3.64Å; V61-L79 HydrophobicContact CG1-CG 4.29Å |
| 62 | I | 94.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | -178.1 | -71.6 | 169.5 | 0 | 0 | 0 | 109.9 | L58 V64 V65 E66 L79 Y80 M83 Y99 | L58-I62 WeakPolarHBondContact O-CB 3.29Å; L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.95Å; I62-V64 VanDerWaalsContact C-N 3.32Å; I62-V64 PolarHBondContact O-N 2.91Å; I62-V65 PolarHBondContact O-N 2.85Å; I62-E66 HydrophobicContact CG2-CG 4.03Å; I62-E66 VanDerWaalsContact O-CB 3.31Å; I62-E66 WeakPolarHBondContact O-CB 3.2Å; I62-E66 VanDerWaalsContact O-CG 3.32Å; I62-E66 WeakPolarHBondContact O-CG 3.43Å; I62-E66 PolarHBondContact O-N 2.97Å; I62-L79 HydrophobicContact CD1-CB 4.21Å; I62-L79 HydrophobicContact CG1-CB 3.74Å; I62-L79 HydrophobicContact CG1-CD1 4.42Å; I62-Y80 HydrophobicContact CD1-CD1 4.2Å; I62-Y80 HydrophobicContact CG2-CD1 4.3Å; I62-Y80 HydrophobicContact CG2-CE1 3.74Å; I62-M83 HydrophobicContact CD1-CB 3.78Å; I62-M83 HydrophobicContact CD1-CE 3.97Å; I62-M83 HydrophobicContact CD1-CG 4.18Å; I62-Y99 HydrophobicContact CD1-CD1 4.42Å; I62-Y99 HydrophobicContact CD1-CE1 3.83Å; I62-Y99 HydrophobicContact CG2-CE1 4.48Å |
| 63 | Q | 92.9 | Very high | 86.1 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | -179.3 | -175.5 | 62.7 | 77.6 | 0 | 0 | 112.6 | Q59 V61 N67 | Q59-Q63 VanDerWaalsContact O-CB 3.25Å; Q59-Q63 WeakPolarHBondContact O-CB 3.48Å; Q59-Q63 PolarHBondContact O-N 3.34Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 3.26Å; Q63-N67 PolarHBondContact NE2-ND2 3.14Å; Q63-N67 PolarHBondContact NE2-OD1 2.88Å; Q63-N67 VanDerWaalsContact NE2-OD1 3.14Å; Q63-N67 WeakPolarHBondContact O-CB 3.31Å; Q63-N67 PolarHBondContact O-N 3.45Å; Q63-N67 PolarHBondContact O-ND2 3.39Å; Q63-N67 VanDerWaalsContact O-ND2 3.1Å |
| 64 | V | 90.4 | Very high | 85.5 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.8 | -43.6 | 178.7 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | T31 T34 V60 V61 I62 N67 A68 | T31-V64 HydrophobicContact CG2-CG1 4.07Å; T34-V64 HydrophobicContact CG2-CB 4.13Å; T34-V64 HydrophobicContact CG2-CG1 4.22Å; T34-V64 HydrophobicContact CG2-CG2 3.99Å; V60-V64 WeakPolarHBondContact O-CG2 3.37Å; V60-V64 PolarHBondContact O-N 2.66Å; V60-V64 VanDerWaalsContact O-N 3.12Å; V61-V64 PolarHBondContact O-N 3.11Å; I62-V64 VanDerWaalsContact C-N 3.32Å; I62-V64 PolarHBondContact O-N 2.91Å; V64-N67 PolarHBondContact O-N 2.84Å; V64-A68 PolarHBondContact O-N 3.07Å |
| 65 | V | 89.9 | Confident | 85.1 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L35 V61 I62 N67 A68 S71 V75 L76 L79 | L35-V65 HydrophobicContact CB-CG2 4.41Å; L35-V65 HydrophobicContact CD1-CG2 4.11Å; V61-V65 HydrophobicContact CG1-CG2 4.06Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.07Å; V61-V65 PolarHBondContact O-N 2.86Å; I62-V65 PolarHBondContact O-N 2.85Å; V65-N67 PolarHBondContact O-N 3.15Å; V65-A68 WeakPolarHBondContact O-CB 3Å; V65-A68 PolarHBondContact O-N 3.35Å; V65-A68 VanDerWaalsContact O-N 3.11Å; V65-S71 WeakPolarHBondContact O-CB 3.45Å; V65-S71 PolarHBondContact O-OG 3.36Å; V65-V75 HydrophobicContact CG1-CG1 4.26Å; V65-L76 HydrophobicContact CB-CD2 3.84Å; V65-L76 HydrophobicContact CG1-CD2 3.51Å; V65-L76 HydrophobicContact CG1-CG 3.78Å; V65-L79 HydrophobicContact CG2-CD1 4.25Å |
| 66 | E | 90.6 | Very high | 84.8 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -30.2 | 176.7 | -75.9 | -179.2 | 155.1 | 0 | 0 | 112.8 | I62 L76 Y80 K102 | I62-E66 HydrophobicContact CG2-CG 4.03Å; I62-E66 VanDerWaalsContact O-CB 3.31Å; I62-E66 WeakPolarHBondContact O-CB 3.2Å; I62-E66 VanDerWaalsContact O-CG 3.32Å; I62-E66 WeakPolarHBondContact O-CG 3.43Å; I62-E66 PolarHBondContact O-N 2.97Å; E66-L76 HydrophobicContact CG-CD1 4.22Å; E66-L76 HydrophobicContact CG-CD2 3.82Å; E66-Y80 WeakPolarHBondContact CG-OH 3.47Å; E66-Y80 VanDerWaalsContact OE1-CE1 3.28Å; E66-Y80 WeakPolarHBondContact OE1-CE1 3.3Å; E66-Y80 PolarHBondContact OE1-OH 3.19Å; E66-K102 IonicContact OE1-NZ 3.18Å; E66-K102 PolarHBondContact OE1-NZ 3.43Å; E66-K102 IonicContact OE2-NZ 3.63Å |
| 67 | N | 88.4 | Confident | 84.7 | Confident | 116 Ų | 116 | 55.2 Ų | 55.2 | 62% | 0.62 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -84.7 | -10.8 | 178.6 | -71.6 | -17.6 | 0 | 0 | 0 | 113.4 | Q63 V64 V65 | Q63-N67 PolarHBondContact NE2-ND2 3.14Å; Q63-N67 PolarHBondContact NE2-OD1 2.88Å; Q63-N67 VanDerWaalsContact NE2-OD1 3.14Å; Q63-N67 WeakPolarHBondContact O-CB 3.31Å; Q63-N67 PolarHBondContact O-N 3.45Å; Q63-N67 PolarHBondContact O-ND2 3.39Å; Q63-N67 VanDerWaalsContact O-ND2 3.1Å; V64-N67 PolarHBondContact O-N 2.84Å; V65-N67 PolarHBondContact O-N 3.15Å |
| 68 | A | 86.1 | Confident | 84.6 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -76.4 | 125.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T31 V64 V65 E70 S71 | T31-A68 HydrophobicContact CG2-CB 3.96Å; V64-A68 PolarHBondContact O-N 3.07Å; V65-A68 WeakPolarHBondContact O-CB 3Å; V65-A68 PolarHBondContact O-N 3.35Å; V65-A68 VanDerWaalsContact O-N 3.11Å; A68-E70 PolarHBondContact O-N 3.05Å; A68-S71 WeakPolarHBondContact O-CB 3.32Å; A68-S71 PolarHBondContact O-N 3.06Å |
| 69 | V | 62.6 | Low | 84.6 | Confident | 152 Ų | 152 | 56 Ų | 56 | 92% | 0.921 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30 | -174.3 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 70 | E | 66 | Low | 84.6 | Confident | 171 Ų | 171 | 51.6 Ų | 51.6 | 80% | 0.799 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 21.8 | -177.6 | -58.8 | -167.2 | 168 | 0 | 0 | 113.7 | A68 E72 | A68-E70 PolarHBondContact O-N 3.05Å; E70-E72 PolarHBondContact O-N 2.81Å |
| 71 | S | 61 | Low | 84.7 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | trans | -60.9 | 104.3 | -177.3 | 78.8 | 0 | 0 | 0 | 0 | 110.7 | V65 A68 N73 | V65-S71 WeakPolarHBondContact O-CB 3.45Å; V65-S71 PolarHBondContact O-OG 3.36Å; A68-S71 WeakPolarHBondContact O-CB 3.32Å; A68-S71 PolarHBondContact O-N 3.06Å; S71-N73 PolarHBondContact O-N 3.27Å; S71-N73 VanDerWaalsContact O-N 3.15Å | ||
| 72 | E | 66.2 | Low | 84.8 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | trans | -60.1 | 122.3 | 170.1 | -73.9 | -170.4 | 164.8 | 0 | 0 | 107.9 | E70 S74 V75 R116 | E70-E72 PolarHBondContact O-N 2.81Å; E72-S74 PolarHBondContact O-N 2.75Å; E72-V75 PolarHBondContact O-N 3.25Å; E72-R116 IonicContact OE2-CZ 3.84Å; E72-R116 VanDerWaalsContact OE2-CZ 3.3Å; E72-R116 IonicContact OE2-NH1 2.84Å; E72-R116 PolarHBondContact OE2-NH1 3.47Å; E72-R116 IonicContact OE2-NH2 3.81Å; E72-R116 PolarHBondContact OE2-NH2 2.8Å | ||
| 73 | N | 71.1 | Confident | 84.9 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -46.1 | -27.9 | 174.6 | -70.9 | -9.1 | 0 | 0 | 0 | 112.7 | S71 V75 L76 I77 A106 S109 | S71-N73 PolarHBondContact O-N 3.27Å; S71-N73 VanDerWaalsContact O-N 3.15Å; N73-V75 VanDerWaalsContact C-N 3.3Å; N73-V75 PolarHBondContact O-N 3.32Å; N73-L76 PolarHBondContact O-N 2.89Å; N73-I77 WeakPolarHBondContact O-CG1 3.41Å; N73-I77 PolarHBondContact O-N 3.37Å; N73-A106 HydrophobicContact CB-CB 4.28Å; N73-S109 PolarHBondContact ND2-OG 3.41Å |
| 74 | S | 78.3 | Confident | 85.1 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -30.1 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 114.6 | E72 P78 R116 | E72-S74 PolarHBondContact O-N 2.75Å; S74-P78 VanDerWaalsContact O-CD 3.22Å; S74-P78 WeakPolarHBondContact O-CD 3.3Å; S74-R116 VanDerWaalsContact OG-CZ 3.29Å; S74-R116 PolarHBondContact OG-NE 3.39Å; S74-R116 PolarHBondContact OG-NH2 2.93Å |
| 75 | V | 86.2 | Confident | 85.3 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -79.4 | -34.1 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L35 V65 E72 N73 P78 L79 | L35-V75 HydrophobicContact CD1-CG1 4.06Å; L35-V75 HydrophobicContact CD2-CG1 3.71Å; V65-V75 HydrophobicContact CG1-CG1 4.26Å; E72-V75 PolarHBondContact O-N 3.25Å; N73-V75 VanDerWaalsContact C-N 3.3Å; N73-V75 PolarHBondContact O-N 3.32Å; V75-P78 VanDerWaalsContact O-CD 3.3Å; V75-P78 WeakPolarHBondContact O-CD 3.41Å; V75-P78 WeakPolarHBondContact O-CG 3.33Å; V75-L79 HydrophobicContact CG1-CD1 4.3Å |
| 76 | L | 91.4 | Very high | 85.6 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -35.6 | -178.7 | -73.5 | 171.2 | 0 | 0 | 0 | 112.8 | V65 E66 N73 L79 Y80 | V65-L76 HydrophobicContact CB-CD2 3.84Å; V65-L76 HydrophobicContact CG1-CD2 3.51Å; V65-L76 HydrophobicContact CG1-CG 3.78Å; E66-L76 HydrophobicContact CG-CD1 4.22Å; E66-L76 HydrophobicContact CG-CD2 3.82Å; N73-L76 PolarHBondContact O-N 2.89Å; L76-L79 HydrophobicContact CD2-CD1 4.44Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 2.89Å; L76-Y80 HydrophobicContact CB-CD2 4.1Å; L76-Y80 HydrophobicContact CB-CE2 3.61Å; L76-Y80 HydrophobicContact CD1-CE2 4.46Å; L76-Y80 HydrophobicContact CD2-CE1 4.29Å; L76-Y80 HydrophobicContact CG-CE2 4.45Å; L76-Y80 WeakPolarHBondContact O-CD2 3.43Å; L76-Y80 VanDerWaalsContact O-CG 3.29Å; L76-Y80 PolarHBondContact O-N 3.24Å |
| 77 | I | 93.2 | Very high | 85.9 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -49.6 | -58.2 | 179.1 | -69.6 | 163 | 0 | 0 | 0 | 112.9 | N73 L79 Y80 L81 A106 A107 A120 V124 | N73-I77 WeakPolarHBondContact O-CG1 3.41Å; N73-I77 PolarHBondContact O-N 3.37Å; I77-L79 VanDerWaalsContact C-N 3.25Å; I77-L79 PolarHBondContact O-N 2.91Å; I77-Y80 PolarHBondContact O-N 3.47Å; I77-L81 HydrophobicContact CG2-CD1 4.2Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 3.33Å; I77-A106 HydrophobicContact CD1-CB 4.35Å; I77-A106 HydrophobicContact CG1-CB 3.66Å; I77-A107 HydrophobicContact CD1-CB 3.85Å; I77-A107 HydrophobicContact CG1-CB 4.35Å; I77-A120 HydrophobicContact CD1-CB 4.08Å; I77-V124 HydrophobicContact CG2-CG2 3.39Å |
| 78 | P | 91.5 | Very high | 86.2 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -26.2 | -179.8 | 25.5 | -35.1 | 0 | 0 | 0 | 113.2 | S74 V75 R82 | S74-P78 VanDerWaalsContact O-CD 3.22Å; S74-P78 WeakPolarHBondContact O-CD 3.3Å; V75-P78 VanDerWaalsContact O-CD 3.3Å; V75-P78 WeakPolarHBondContact O-CD 3.41Å; V75-P78 WeakPolarHBondContact O-CG 3.33Å; P78-R82 WeakPolarHBondContact O-CB 3.44Å; P78-R82 VanDerWaalsContact O-CG 3.3Å; P78-R82 WeakPolarHBondContact O-CG 3.27Å; P78-R82 PolarHBondContact O-N 3.49Å; P78-R82 PolarHBondContact O-NE 3.27Å |
| 79 | L | 94.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.5 | -44.4 | 175.2 | -66.9 | 167.8 | 0 | 0 | 0 | 111.4 | L35 D39 L58 V61 I62 V65 V75 L76 I77 R82 M83 | L35-L79 HydrophobicContact CD1-CD1 4.08Å; L35-L79 HydrophobicContact CD1-CD2 4.47Å; D39-L79 WeakPolarHBondContact OD1-CD2 3.34Å; L58-L79 HydrophobicContact CD2-CD2 3.94Å; V61-L79 HydrophobicContact CB-CD2 4.34Å; V61-L79 HydrophobicContact CG1-CD1 3.61Å; V61-L79 HydrophobicContact CG1-CD2 3.64Å; V61-L79 HydrophobicContact CG1-CG 4.29Å; I62-L79 HydrophobicContact CD1-CB 4.21Å; I62-L79 HydrophobicContact CG1-CB 3.74Å; I62-L79 HydrophobicContact CG1-CD1 4.42Å; V65-L79 HydrophobicContact CG2-CD1 4.25Å; V75-L79 HydrophobicContact CG1-CD1 4.3Å; L76-L79 HydrophobicContact CD2-CD1 4.44Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 2.89Å; I77-L79 VanDerWaalsContact C-N 3.25Å; I77-L79 PolarHBondContact O-N 2.91Å; L79-R82 PolarHBondContact O-N 3.09Å; L79-M83 WeakPolarHBondContact O-CB 3.5Å; L79-M83 PolarHBondContact O-N 3.41Å |
| 80 | Y | 96.2 | Very high | 88.2 | Confident | 18 Ų | 18 | 43 Ų | 43 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 176.6 | -65.8 | -31.7 | 0 | 0 | 0 | 112 | I62 E66 L76 I77 R82 M83 A84 Y99 K102 A106 | I62-Y80 HydrophobicContact CD1-CD1 4.2Å; I62-Y80 HydrophobicContact CG2-CD1 4.3Å; I62-Y80 HydrophobicContact CG2-CE1 3.74Å; E66-Y80 WeakPolarHBondContact CG-OH 3.47Å; E66-Y80 VanDerWaalsContact OE1-CE1 3.28Å; E66-Y80 WeakPolarHBondContact OE1-CE1 3.3Å; E66-Y80 PolarHBondContact OE1-OH 3.19Å; L76-Y80 HydrophobicContact CB-CD2 4.1Å; L76-Y80 HydrophobicContact CB-CE2 3.61Å; L76-Y80 HydrophobicContact CD1-CE2 4.46Å; L76-Y80 HydrophobicContact CD2-CE1 4.29Å; L76-Y80 HydrophobicContact CG-CE2 4.45Å; L76-Y80 WeakPolarHBondContact O-CD2 3.43Å; L76-Y80 VanDerWaalsContact O-CG 3.29Å; L76-Y80 PolarHBondContact O-N 3.24Å; I77-Y80 PolarHBondContact O-N 3.47Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.85Å; Y80-M83 PolarHBondContact O-N 3.35Å; Y80-A84 WeakPolarHBondContact O-CB 3.46Å; Y80-A84 PolarHBondContact O-N 3.13Å; Y80-Y99 AromaticContact CD1-CD1 3.7Å; Y80-Y99 HydrophobicContact CD1-CD1 3.7Å; Y80-Y99 HydrophobicContact CD1-CE1 4.01Å; Y80-Y99 HydrophobicContact CE1-CD1 4.44Å; Y80-Y99 HydrophobicContact CE1-CE1 4.42Å; Y80-Y99 HydrophobicContact CG-CD1 4.39Å; Y80-K102 HydrophobicContact CD1-CB 4.26Å; Y80-K102 HydrophobicContact CD1-CD 4.21Å; Y80-K102 HydrophobicContact CD2-CB 3.72Å; Y80-K102 HydrophobicContact CE1-CB 4.3Å; Y80-K102 HydrophobicContact CE1-CD 3.8Å; Y80-K102 HydrophobicContact CE2-CB 3.77Å; Y80-K102 HydrophobicContact CG-CB 3.96Å; Y80-A106 HydrophobicContact CE2-CB 4.36Å |
| 81 | L | 95 | Very high | 89.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 176.7 | -67.2 | 176.5 | 0 | 0 | 0 | 112.1 | I77 A84 R85 Y100 A103 N123 V124 E127 | I77-L81 HydrophobicContact CG2-CD1 4.2Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 3.33Å; L81-A84 PolarHBondContact O-N 3.03Å; L81-R85 WeakPolarHBondContact O-CG 3.41Å; L81-R85 PolarHBondContact O-N 2.9Å; L81-R85 VanDerWaalsContact O-N 3.07Å; L81-Y100 HydrophobicContact CD2-CD1 3.95Å; L81-Y100 HydrophobicContact CD2-CE1 4.08Å; L81-A103 HydrophobicContact CD2-CB 3.64Å; L81-A103 HydrophobicContact CG-CB 3.96Å; L81-N123 WeakPolarHBondContact CD1-ND2 3.34Å; L81-V124 HydrophobicContact CD1-CG2 3.9Å; L81-V124 HydrophobicContact CD2-CG2 4.3Å; L81-V124 HydrophobicContact CG-CG2 4.34Å; L81-E127 HydrophobicContact CD1-CG 4.02Å; L81-E127 HydrophobicContact CD2-CB 3.82Å; L81-E127 HydrophobicContact CD2-CG 3.97Å; L81-E127 HydrophobicContact CG-CG 4.45Å |
| 82 | R | 94.7 | Very high | 91.2 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 18% | 0.177 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 176 | -78.7 | -178.5 | -73.8 | 178.7 | -1.2 | 112.3 | D39 N43 L58 P78 L79 Y80 A84 R85 V86 | D39-R82 IonicContact OD1-CZ 3.7Å; D39-R82 IonicContact OD1-NE 3.98Å; D39-R82 IonicContact OD1-NH1 2.88Å; D39-R82 PolarHBondContact OD1-NH1 3.31Å; D39-R82 IonicContact OD1-NH2 2.66Å; D39-R82 PolarHBondContact OD1-NH2 3.03Å; D39-R82 IonicContact OD2-CZ 3.98Å; D39-R82 IonicContact OD2-NH1 3.5Å; D39-R82 PolarHBondContact OD2-NH1 2.99Å; D39-R82 IonicContact OD2-NH2 3.82Å; D39-R82 PolarHBondContact OD2-NH2 3.04Å; N43-R82 PolarHBondContact ND2-NH1 3.18Å; N43-R82 VanDerWaalsContact ND2-NH1 3.11Å; N43-R82 PolarHBondContact OD1-NH1 2.94Å; L58-R82 HydrophobicContact CD1-CB 4.15Å; L58-R82 HydrophobicContact CD2-CB 4.16Å; P78-R82 WeakPolarHBondContact O-CB 3.44Å; P78-R82 VanDerWaalsContact O-CG 3.3Å; P78-R82 WeakPolarHBondContact O-CG 3.27Å; P78-R82 PolarHBondContact O-N 3.49Å; P78-R82 PolarHBondContact O-NE 3.27Å; L79-R82 PolarHBondContact O-N 3.09Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 2.85Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 3.43Å; R82-R85 PolarHBondContact O-N 3.28Å; R82-V86 WeakPolarHBondContact O-CB 3.35Å; R82-V86 WeakPolarHBondContact O-CG2 3.46Å; R82-V86 PolarHBondContact O-N 3.24Å |
| 83 | M | 97.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 175.2 | -177.3 | 60.5 | 90.3 | 0 | 0 | 111.4 | L58 Q59 I62 L79 Y80 R85 V86 L87 Y99 | L58-M83 HydrophobicContact CB-CE 3.54Å; L58-M83 HydrophobicContact CB-SD 4.29Å; Q59-M83 HydrophobicContact CB-CE 3.83Å; Q59-M83 VanDerWaalsContact N-CE 3.3Å; I62-M83 HydrophobicContact CD1-CB 3.78Å; I62-M83 HydrophobicContact CD1-CE 3.97Å; I62-M83 HydrophobicContact CD1-CG 4.18Å; L79-M83 WeakPolarHBondContact O-CB 3.5Å; L79-M83 PolarHBondContact O-N 3.41Å; Y80-M83 PolarHBondContact O-N 3.35Å; M83-R85 PolarHBondContact O-N 3.02Å; M83-V86 PolarHBondContact O-N 3.3Å; M83-L87 HydrophobicContact CG-CD1 3.81Å; M83-L87 HydrophobicContact CG-CG 4.39Å; M83-L87 WeakPolarHBondContact O-CB 3.28Å; M83-L87 VanDerWaalsContact O-CG 3.27Å; M83-L87 WeakPolarHBondContact O-CG 3.36Å; M83-L87 PolarHBondContact O-N 3.24Å; M83-L87 HydrophobicContact SD-CD1 4.15Å; M83-L87 HydrophobicContact SD-CG 4.19Å; M83-Y99 HydrophobicContact CB-CD1 3.84Å; M83-Y99 HydrophobicContact CB-CD2 4.42Å; M83-Y99 HydrophobicContact CB-CE1 4.07Å; M83-Y99 HydrophobicContact CB-CG 4.03Å; M83-Y99 HydrophobicContact CG-CD1 3.69Å; M83-Y99 HydrophobicContact CG-CD2 3.59Å; M83-Y99 HydrophobicContact CG-CE1 3.59Å; M83-Y99 HydrophobicContact CG-CE2 3.49Å; M83-Y99 VanDerWaalsContact CG-CE2 3.49Å; M83-Y99 HydrophobicContact CG-CG 3.68Å; M83-Y99 VanDerWaalsContact CG-CZ 3.48Å |
| 84 | A | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y80 L81 R82 V86 L87 E88 A96 Y100 | Y80-A84 WeakPolarHBondContact O-CB 3.46Å; Y80-A84 PolarHBondContact O-N 3.13Å; L81-A84 PolarHBondContact O-N 3.03Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 3.43Å; A84-V86 PolarHBondContact O-N 3.24Å; A84-L87 PolarHBondContact O-N 3.17Å; A84-E88 WeakPolarHBondContact O-CG 3.4Å; A84-E88 PolarHBondContact O-N 3.15Å; A84-A96 HydrophobicContact CB-CB 4.49Å; A84-A96 WeakPolarHBondContact CB-O 3.41Å; A84-A96 WeakPolarHBondContact O-CB 3.22Å; A84-Y100 HydrophobicContact CB-CD1 3.74Å; A84-Y100 HydrophobicContact CB-CD2 3.84Å; A84-Y100 HydrophobicContact CB-CE1 3.51Å; A84-Y100 HydrophobicContact CB-CE2 3.65Å; A84-Y100 HydrophobicContact CB-CG 3.87Å; A84-Y100 VanDerWaalsContact CB-CZ 3.46Å |
| 85 | R | 94.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 175.8 | -69.2 | 170.4 | 177.8 | 177.5 | -3.3 | 113.1 | L81 R82 M83 E88 K89 E127 | L81-R85 WeakPolarHBondContact O-CG 3.41Å; L81-R85 PolarHBondContact O-N 2.9Å; L81-R85 VanDerWaalsContact O-N 3.07Å; R82-R85 PolarHBondContact O-N 3.28Å; M83-R85 PolarHBondContact O-N 3.02Å; R85-E88 PolarHBondContact O-N 2.58Å; R85-K89 PolarHBondContact O-N 3.21Å; R85-E127 IonicContact CZ-OE1 2.92Å; R85-E127 IonicContact CZ-OE2 3.56Å; R85-E127 IonicContact NE-OE1 3.91Å; R85-E127 IonicContact NE-OE2 2.78Å; R85-E127 PolarHBondContact NE-OE2 2.73Å; R85-E127 IonicContact NH2-OE1 2.85Å; R85-E127 PolarHBondContact NH2-OE1 2.88Å; R85-E127 IonicContact NH2-OE2 2.99Å; R85-E127 PolarHBondContact NH2-OE2 2.87Å |
| 86 | V | 96.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.8 | 164.5 | 0 | 0 | 0 | 0 | 110.3 | Y46 I51 A54 C55 L58 R82 M83 A84 K89 M90 | Y46-V86 HydrophobicContact CD2-CG2 3.76Å; Y46-V86 HydrophobicContact CE2-CG2 4.12Å; I51-V86 HydrophobicContact CG2-CG1 3.84Å; A54-V86 HydrophobicContact CB-CG2 4.47Å; C55-V86 HydrophobicContact CB-CG1 3.55Å; L58-V86 HydrophobicContact CD1-CG2 3.81Å; R82-V86 WeakPolarHBondContact O-CB 3.35Å; R82-V86 WeakPolarHBondContact O-CG2 3.46Å; R82-V86 PolarHBondContact O-N 3.24Å; M83-V86 PolarHBondContact O-N 3.3Å; A84-V86 PolarHBondContact O-N 3.24Å; V86-K89 PolarHBondContact O-N 3.07Å; V86-M90 HydrophobicContact CG1-SD 4.16Å; V86-M90 WeakPolarHBondContact O-CG 3.5Å; V86-M90 PolarHBondContact O-N 2.85Å |
| 87 | L | 97.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 178.8 | -70.6 | 165.5 | 0 | 0 | 0 | 112.4 | M83 A84 K89 M90 S91 E92 K95 A96 Y99 | M83-L87 HydrophobicContact CG-CD1 3.81Å; M83-L87 HydrophobicContact CG-CG 4.39Å; M83-L87 WeakPolarHBondContact O-CB 3.28Å; M83-L87 VanDerWaalsContact O-CG 3.27Å; M83-L87 WeakPolarHBondContact O-CG 3.36Å; M83-L87 PolarHBondContact O-N 3.24Å; M83-L87 HydrophobicContact SD-CD1 4.15Å; M83-L87 HydrophobicContact SD-CG 4.19Å; A84-L87 PolarHBondContact O-N 3.17Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.24Å; L87-M90 CarbonylContact O-C 3.45Å; L87-M90 WeakPolarHBondContact O-CA 3.38Å; L87-M90 WeakPolarHBondContact O-CB 3.47Å; L87-M90 PolarHBondContact O-N 3.44Å; L87-M90 VanDerWaalsContact O-N 3.09Å; L87-S91 PolarHBondContact O-N 3.48Å; L87-S91 VanDerWaalsContact O-N 3.13Å; L87-E92 HydrophobicContact CB-CB 4.16Å; L87-E92 HydrophobicContact CD2-CB 3.92Å; L87-E92 HydrophobicContact CD2-CG 4.45Å; L87-E92 PolarHBondContact O-N 3.24Å; L87-K95 HydrophobicContact CD1-CB 3.84Å; L87-K95 HydrophobicContact CD2-CB 4.19Å; L87-K95 HydrophobicContact CD2-CD 4.37Å; L87-K95 HydrophobicContact CG-CB 4.5Å; L87-A96 HydrophobicContact CB-CB 3.83Å; L87-Y99 HydrophobicContact CD1-CD2 3.38Å; L87-Y99 HydrophobicContact CD1-CE2 3.68Å; L87-Y99 HydrophobicContact CD1-CG 4.39Å |
| 88 | E | 94.2 | Very high | 95.2 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 172.1 | -73.9 | -176.1 | 123.4 | 0 | 0 | 112 | A84 R85 M90 S91 A96 Y100 H131 | A84-E88 WeakPolarHBondContact O-CG 3.4Å; A84-E88 PolarHBondContact O-N 3.15Å; R85-E88 PolarHBondContact O-N 2.58Å; E88-M90 PolarHBondContact O-N 2.95Å; E88-S91 WeakPolarHBondContact O-CA 3.45Å; E88-S91 PolarHBondContact O-N 2.87Å; E88-A96 HydrophobicContact CG-CB 3.64Å; E88-Y100 HydrophobicContact CG-CE2 4.42Å; E88-Y100 PolarHBondContact OE2-OH 3.1Å; E88-H131 VanDerWaalsContact CD-ND1 3.3Å; E88-H131 WeakPolarHBondContact OE1-CB 3.29Å; E88-H131 IonicContact OE1-CG 3.53Å; E88-H131 IonicContact OE1-ND1 2.62Å; E88-H131 PolarHBondContact OE1-ND1 2.83Å; E88-H131 IonicContact OE2-CE1 3.61Å; E88-H131 PolarHBondContact OE2-CE1 2.84Å; E88-H131 IonicContact OE2-CG 2.8Å; E88-H131 IonicContact OE2-ND1 3.88Å; E88-H131 PolarHBondContact OE2-ND1 2.9Å |
| 89 | K | 94.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.1 | -25.6 | 176 | -166.7 | 165.6 | 175.7 | 177.6 | 0 | 112.1 | Y46 E49 I51 R85 V86 L87 S91 | Y46-K89 HydrophobicContact CE2-CD 4.12Å; E49-K89 IonicContact OE1-NZ 2.66Å; I51-K89 HydrophobicContact CD1-CD 3.56Å; I51-K89 HydrophobicContact CD1-CG 4.35Å; I51-K89 HydrophobicContact CG1-CD 3.75Å; I51-K89 HydrophobicContact CG1-CG 4.02Å; I51-K89 HydrophobicContact CG2-CB 4.22Å; I51-K89 HydrophobicContact CG2-CG 4.4Å; R85-K89 PolarHBondContact O-N 3.21Å; V86-K89 PolarHBondContact O-N 3.07Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.24Å; K89-S91 VanDerWaalsContact C-N 3.29Å |
| 90 | M | 96 | Very high | 95.6 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 29% | 0.286 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.5 | 170.5 | -64.1 | 179.3 | 63.7 | 0 | 0 | 113.8 | I51 N52 C55 V86 L87 E88 E92 | I51-M90 HydrophobicContact CB-CG 4.37Å; I51-M90 HydrophobicContact CG2-CG 3.43Å; I51-M90 VanDerWaalsContact CG2-CG 3.43Å; I51-M90 HydrophobicContact CG2-SD 4.03Å; N52-M90 WeakPolarHBondContact OD1-CE 3.27Å; C55-M90 HydrophobicContact CB-SD 3.87Å; V86-M90 HydrophobicContact CG1-SD 4.16Å; V86-M90 WeakPolarHBondContact O-CG 3.5Å; V86-M90 PolarHBondContact O-N 2.85Å; L87-M90 CarbonylContact O-C 3.45Å; L87-M90 WeakPolarHBondContact O-CA 3.38Å; L87-M90 WeakPolarHBondContact O-CB 3.47Å; L87-M90 PolarHBondContact O-N 3.44Å; L87-M90 VanDerWaalsContact O-N 3.09Å; E88-M90 PolarHBondContact O-N 2.95Å; M90-E92 HydrophobicContact CB-CG 4.15Å; M90-E92 PolarHBondContact O-N 3.39Å |
| 91 | S | 94.4 | Very high | 95.5 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 72% | 0.72 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 18.7 | -173.7 | -54.5 | 0 | 0 | 0 | 0 | 114.7 | L87 E88 K89 K93 | L87-S91 PolarHBondContact O-N 3.48Å; L87-S91 VanDerWaalsContact O-N 3.13Å; E88-S91 WeakPolarHBondContact O-CA 3.45Å; E88-S91 PolarHBondContact O-N 2.87Å; K89-S91 VanDerWaalsContact C-N 3.29Å; S91-K93 VanDerWaalsContact C-N 3.29Å; S91-K93 PolarHBondContact O-N 3.31Å; S91-K93 VanDerWaalsContact O-N 3.16Å |
| 92 | E | 96 | Very high | 95.4 | Very high | 71 Ų | 71 | 60 Ų | 60 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | trans | -89.7 | 59.3 | 178.1 | -72.5 | -89.6 | -141.3 | 0 | 0 | 110.5 | L87 M90 Q94 K95 A96 | L87-E92 HydrophobicContact CB-CB 4.16Å; L87-E92 HydrophobicContact CD2-CB 3.92Å; L87-E92 HydrophobicContact CD2-CG 4.45Å; L87-E92 PolarHBondContact O-N 3.24Å; M90-E92 HydrophobicContact CB-CG 4.15Å; M90-E92 PolarHBondContact O-N 3.39Å; E92-Q94 PolarHBondContact O-N 2.95Å; E92-K95 HydrophobicContact CB-CB 4.44Å; E92-K95 HydrophobicContact CB-CD 4.36Å; E92-K95 VanDerWaalsContact CD-NZ 3.34Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 IonicContact OE1-NZ 2.86Å; E92-K95 PolarHBondContact OE1-NZ 2.91Å; E92-K95 IonicContact OE2-NZ 3.32Å; E92-K95 PolarHBondContact OE2-NZ 3Å; E92-A96 PolarHBondContact O-N 3.06Å | ||
| 93 | K | 93.3 | Very high | 95.4 | Very high | 156 Ų | 156 | 57.8 Ų | 57.8 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.2 | -43 | -169.7 | -67.7 | -173 | 178 | -174.5 | 0 | 114 | S91 K95 A96 I97 | S91-K93 VanDerWaalsContact C-N 3.29Å; S91-K93 PolarHBondContact O-N 3.31Å; S91-K93 VanDerWaalsContact O-N 3.16Å; K93-K95 PolarHBondContact O-N 2.97Å; K93-A96 WeakPolarHBondContact O-CB 3.4Å; K93-A96 PolarHBondContact O-N 3.07Å; K93-I97 WeakPolarHBondContact O-CG1 3.36Å; K93-I97 PolarHBondContact O-N 2.87Å |
| 94 | Q | 94.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 59.1 Ų | 59.1 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | -177.9 | -172.5 | 59.2 | 40.4 | 0 | 0 | 111.4 | E92 A96 I97 E98 | E92-Q94 PolarHBondContact O-N 2.95Å; Q94-A96 VanDerWaalsContact C-N 3.33Å; Q94-I97 WeakPolarHBondContact O-CB 3.4Å; Q94-I97 PolarHBondContact O-N 3.47Å; Q94-E98 PolarHBondContact O-N 3.39Å |
| 95 | K | 96.4 | Very high | 94.9 | Very high | 92 Ų | 92 | 62.2 Ų | 62.2 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | 175.5 | -62.5 | 177.6 | -174.9 | 160.3 | 0 | 111.2 | L87 E92 K93 I97 E98 Y99 | L87-K95 HydrophobicContact CD1-CB 3.84Å; L87-K95 HydrophobicContact CD2-CB 4.19Å; L87-K95 HydrophobicContact CD2-CD 4.37Å; L87-K95 HydrophobicContact CG-CB 4.5Å; E92-K95 HydrophobicContact CB-CB 4.44Å; E92-K95 HydrophobicContact CB-CD 4.36Å; E92-K95 VanDerWaalsContact CD-NZ 3.34Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 IonicContact OE1-NZ 2.86Å; E92-K95 PolarHBondContact OE1-NZ 2.91Å; E92-K95 IonicContact OE2-NZ 3.32Å; E92-K95 PolarHBondContact OE2-NZ 3Å; K93-K95 PolarHBondContact O-N 2.97Å; K95-I97 VanDerWaalsContact C-N 3.3Å; K95-I97 PolarHBondContact O-N 3.23Å; K95-E98 WeakPolarHBondContact O-CB 3.45Å; K95-E98 PolarHBondContact O-N 3.16Å; K95-Y99 WeakPolarHBondContact O-CD2 3.46Å; K95-Y99 PolarHBondContact O-N 2.93Å |
| 96 | A | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A84 L87 E88 E92 K93 Q94 E98 Y99 Y100 | A84-A96 HydrophobicContact CB-CB 4.49Å; A84-A96 WeakPolarHBondContact CB-O 3.41Å; A84-A96 WeakPolarHBondContact O-CB 3.22Å; L87-A96 HydrophobicContact CB-CB 3.83Å; E88-A96 HydrophobicContact CG-CB 3.64Å; E92-A96 PolarHBondContact O-N 3.06Å; K93-A96 WeakPolarHBondContact O-CB 3.4Å; K93-A96 PolarHBondContact O-N 3.07Å; Q94-A96 VanDerWaalsContact C-N 3.33Å; A96-E98 PolarHBondContact O-N 2.86Å; A96-Y99 PolarHBondContact O-N 2.74Å; A96-Y99 VanDerWaalsContact O-N 3.17Å; A96-Y100 HydrophobicContact CB-CE2 4.45Å; A96-Y100 VanDerWaalsContact O-CD2 3.27Å; A96-Y100 WeakPolarHBondContact O-CD2 3.38Å; A96-Y100 PolarHBondContact O-N 2.78Å |
| 97 | I | 95.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 58.9 Ų | 58.9 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.3 | -75.5 | 165.8 | 0 | 0 | 0 | 111.3 | K93 Q94 K95 Y99 Y100 E101 L135 | K93-I97 WeakPolarHBondContact O-CG1 3.36Å; K93-I97 PolarHBondContact O-N 2.87Å; Q94-I97 WeakPolarHBondContact O-CB 3.4Å; Q94-I97 PolarHBondContact O-N 3.47Å; K95-I97 VanDerWaalsContact C-N 3.3Å; K95-I97 PolarHBondContact O-N 3.23Å; I97-Y99 PolarHBondContact O-N 2.66Å; I97-Y100 WeakPolarHBondContact O-CA 3.28Å; I97-Y100 WeakPolarHBondContact O-CB 3.35Å; I97-Y100 PolarHBondContact O-N 2.73Å; I97-E101 HydrophobicContact CG2-CG 4.44Å; I97-E101 WeakPolarHBondContact O-CG 3.38Å; I97-E101 PolarHBondContact O-N 2.94Å; I97-L135 HydrophobicContact CG2-CD1 3.96Å; I97-L135 HydrophobicContact CG2-CD2 4.02Å; I97-L135 HydrophobicContact CG2-CG 4.5Å |
| 98 | E | 96 | Very high | 94 | Very high | 93 Ų | 93 | 59.9 Ų | 59.9 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.2 | -38.3 | 177.4 | -66.1 | 167.4 | -163.9 | 0 | 0 | 112.2 | Q94 K95 A96 K102 | Q94-E98 PolarHBondContact O-N 3.39Å; K95-E98 WeakPolarHBondContact O-CB 3.45Å; K95-E98 PolarHBondContact O-N 3.16Å; A96-E98 PolarHBondContact O-N 2.86Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.46Å |
| 99 | Y | 97.2 | Very high | 93.8 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.5 | -33.4 | 175.9 | -81.5 | -79.6 | 0 | 0 | 0 | 113.1 | I62 Y80 M83 L87 K95 A96 I97 K102 A103 | I62-Y99 HydrophobicContact CD1-CD1 4.42Å; I62-Y99 HydrophobicContact CD1-CE1 3.83Å; I62-Y99 HydrophobicContact CG2-CE1 4.48Å; Y80-Y99 AromaticContact CD1-CD1 3.7Å; Y80-Y99 HydrophobicContact CD1-CD1 3.7Å; Y80-Y99 HydrophobicContact CD1-CE1 4.01Å; Y80-Y99 HydrophobicContact CE1-CD1 4.44Å; Y80-Y99 HydrophobicContact CE1-CE1 4.42Å; Y80-Y99 HydrophobicContact CG-CD1 4.39Å; M83-Y99 HydrophobicContact CB-CD1 3.84Å; M83-Y99 HydrophobicContact CB-CD2 4.42Å; M83-Y99 HydrophobicContact CB-CE1 4.07Å; M83-Y99 HydrophobicContact CB-CG 4.03Å; M83-Y99 HydrophobicContact CG-CD1 3.69Å; M83-Y99 HydrophobicContact CG-CD2 3.59Å; M83-Y99 HydrophobicContact CG-CE1 3.59Å; M83-Y99 HydrophobicContact CG-CE2 3.49Å; M83-Y99 VanDerWaalsContact CG-CE2 3.49Å; M83-Y99 HydrophobicContact CG-CG 3.68Å; M83-Y99 VanDerWaalsContact CG-CZ 3.48Å; L87-Y99 HydrophobicContact CD1-CD2 3.38Å; L87-Y99 HydrophobicContact CD1-CE2 3.68Å; L87-Y99 HydrophobicContact CD1-CG 4.39Å; K95-Y99 WeakPolarHBondContact O-CD2 3.46Å; K95-Y99 PolarHBondContact O-N 2.93Å; A96-Y99 PolarHBondContact O-N 2.74Å; A96-Y99 VanDerWaalsContact O-N 3.17Å; I97-Y99 PolarHBondContact O-N 2.66Å; Y99-K102 HydrophobicContact CD1-CD 4.24Å; Y99-K102 HydrophobicContact CE1-CD 4.4Å; Y99-K102 PolarHBondContact O-N 2.84Å; Y99-A103 PolarHBondContact O-N 2.99Å |
| 100 | Y | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 170.5 | -78.5 | -50.3 | 0 | 0 | 0 | 111.8 | L81 A84 E88 A96 I97 A103 Q104 E127 L128 H131 A132 | L81-Y100 HydrophobicContact CD2-CD1 3.95Å; L81-Y100 HydrophobicContact CD2-CE1 4.08Å; A84-Y100 HydrophobicContact CB-CD1 3.74Å; A84-Y100 HydrophobicContact CB-CD2 3.84Å; A84-Y100 HydrophobicContact CB-CE1 3.51Å; A84-Y100 HydrophobicContact CB-CE2 3.65Å; A84-Y100 HydrophobicContact CB-CG 3.87Å; A84-Y100 VanDerWaalsContact CB-CZ 3.46Å; E88-Y100 HydrophobicContact CG-CE2 4.42Å; E88-Y100 PolarHBondContact OE2-OH 3.1Å; A96-Y100 HydrophobicContact CB-CE2 4.45Å; A96-Y100 VanDerWaalsContact O-CD2 3.27Å; A96-Y100 WeakPolarHBondContact O-CD2 3.38Å; A96-Y100 PolarHBondContact O-N 2.78Å; I97-Y100 WeakPolarHBondContact O-CA 3.28Å; I97-Y100 WeakPolarHBondContact O-CB 3.35Å; I97-Y100 PolarHBondContact O-N 2.73Å; Y100-A103 PolarHBondContact O-N 3.2Å; Y100-Q104 WeakPolarHBondContact O-CB 3.33Å; Y100-Q104 PolarHBondContact O-N 3.31Å; Y100-E127 HydrophobicContact CE1-CB 4.18Å; Y100-L128 HydrophobicContact CD1-CD2 4.11Å; Y100-L128 HydrophobicContact CG-CD2 4.09Å; Y100-H131 HydrophobicContact CD2-CB 4.45Å; Y100-H131 HydrophobicContact CE1-CB 4.26Å; Y100-H131 HydrophobicContact CE2-CB 3.55Å; Y100-H131 VanDerWaalsContact CZ-CB 3.45Å; Y100-H131 AromaticContact CZ-CG 3.86Å; Y100-H131 WeakPolarHBondContact OH-CB 3.47Å; Y100-H131 VanDerWaalsContact OH-CG 3.22Å; Y100-A132 HydrophobicContact CD2-CB 3.95Å; Y100-A132 HydrophobicContact CG-CB 4.26Å |
| 101 | E | 93.9 | Very high | 93.2 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 173.8 | -68.3 | 179.4 | 149.3 | 0 | 0 | 111.5 | I97 A103 Q104 A105 L135 | I97-E101 HydrophobicContact CG2-CG 4.44Å; I97-E101 WeakPolarHBondContact O-CG 3.38Å; I97-E101 PolarHBondContact O-N 2.94Å; E101-A103 PolarHBondContact O-N 3.43Å; E101-Q104 WeakPolarHBondContact O-CB 3.44Å; E101-Q104 PolarHBondContact O-N 3.03Å; E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 3.38Å; E101-L135 HydrophobicContact CG-CD1 3.85Å; E101-L135 HydrophobicContact CG-CD2 4.15Å |
| 102 | K | 94.2 | Very high | 93.1 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 173.8 | -76.3 | -176.3 | 169.8 | -159.5 | 0 | 112.1 | E66 Y80 E98 Y99 A105 A106 | E66-K102 IonicContact OE1-NZ 3.18Å; E66-K102 PolarHBondContact OE1-NZ 3.43Å; E66-K102 IonicContact OE2-NZ 3.63Å; Y80-K102 HydrophobicContact CD1-CB 4.26Å; Y80-K102 HydrophobicContact CD1-CD 4.21Å; Y80-K102 HydrophobicContact CD2-CB 3.72Å; Y80-K102 HydrophobicContact CE1-CB 4.3Å; Y80-K102 HydrophobicContact CE1-CD 3.8Å; Y80-K102 HydrophobicContact CE2-CB 3.77Å; Y80-K102 HydrophobicContact CG-CB 3.96Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.46Å; Y99-K102 HydrophobicContact CD1-CD 4.24Å; Y99-K102 HydrophobicContact CE1-CD 4.4Å; Y99-K102 PolarHBondContact O-N 2.84Å; K102-A105 PolarHBondContact O-N 3.32Å; K102-A106 WeakPolarHBondContact O-CB 3.44Å; K102-A106 PolarHBondContact O-N 3.47Å |
| 103 | A | 94 | Very high | 93 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L81 Y99 Y100 E101 A106 A107 V124 | L81-A103 HydrophobicContact CD2-CB 3.64Å; L81-A103 HydrophobicContact CG-CB 3.96Å; Y99-A103 PolarHBondContact O-N 2.99Å; Y100-A103 PolarHBondContact O-N 3.2Å; E101-A103 PolarHBondContact O-N 3.43Å; A103-A106 PolarHBondContact O-N 2.8Å; A103-A107 WeakPolarHBondContact O-CB 3.47Å; A103-A107 PolarHBondContact O-N 3.35Å; A103-V124 HydrophobicContact CB-CG2 4.2Å |
| 104 | Q | 92.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 174.8 | -169.3 | -176.9 | 9.7 | 0 | 0 | 111.6 | Y100 E101 A106 A107 F108 V124 L128 L135 | Y100-Q104 WeakPolarHBondContact O-CB 3.33Å; Y100-Q104 PolarHBondContact O-N 3.31Å; E101-Q104 WeakPolarHBondContact O-CB 3.44Å; E101-Q104 PolarHBondContact O-N 3.03Å; Q104-A106 VanDerWaalsContact C-N 3.32Å; Q104-A106 PolarHBondContact O-N 3.06Å; Q104-A107 PolarHBondContact O-N 2.94Å; Q104-F108 HydrophobicContact CG-CD2 3.46Å; Q104-F108 VanDerWaalsContact CG-CD2 3.46Å; Q104-F108 HydrophobicContact CG-CE2 3.45Å; Q104-F108 VanDerWaalsContact CG-CE2 3.45Å; Q104-F108 HydrophobicContact CG-CG 4.47Å; Q104-F108 HydrophobicContact CG-CZ 4.45Å; Q104-F108 VanDerWaalsContact O-CB 3.29Å; Q104-F108 WeakPolarHBondContact O-CB 3.4Å; Q104-F108 WeakPolarHBondContact O-CG 3.35Å; Q104-F108 PolarHBondContact O-N 3.43Å; Q104-V124 HydrophobicContact CB-CG1 4.47Å; Q104-L128 HydrophobicContact CB-CD1 3.95Å; Q104-L128 HydrophobicContact CG-CD1 3.84Å; Q104-L135 PolarHBondContact NE2-O 3.3Å |
| 105 | A | 91.2 | Very high | 93.1 | Very high | 64 Ų | 64 | 51 Ų | 51 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E101 K102 S109 | E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 3.38Å; K102-A105 PolarHBondContact O-N 3.32Å; A105-S109 VanDerWaalsContact O-CB 3.28Å; A105-S109 WeakPolarHBondContact O-CB 3.43Å; A105-S109 PolarHBondContact O-N 2.84Å; A105-S109 VanDerWaalsContact O-N 3.1Å |
| 106 | A | 90.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | N73 I77 Y80 K102 A103 Q104 S109 | N73-A106 HydrophobicContact CB-CB 4.28Å; I77-A106 HydrophobicContact CD1-CB 4.35Å; I77-A106 HydrophobicContact CG1-CB 3.66Å; Y80-A106 HydrophobicContact CE2-CB 4.36Å; K102-A106 WeakPolarHBondContact O-CB 3.44Å; K102-A106 PolarHBondContact O-N 3.47Å; A103-A106 PolarHBondContact O-N 2.8Å; Q104-A106 VanDerWaalsContact C-N 3.32Å; Q104-A106 PolarHBondContact O-N 3.06Å; A106-S109 PolarHBondContact O-OG 2.91Å |
| 107 | A | 90.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I77 A103 Q104 V124 | I77-A107 HydrophobicContact CD1-CB 3.85Å; I77-A107 HydrophobicContact CG1-CB 4.35Å; A103-A107 WeakPolarHBondContact O-CB 3.47Å; A103-A107 PolarHBondContact O-N 3.35Å; Q104-A107 PolarHBondContact O-N 2.94Å; A107-V124 HydrophobicContact CB-CB 4.2Å; A107-V124 HydrophobicContact CB-CG1 4.38Å; A107-V124 HydrophobicContact CB-CG2 3.9Å |
| 108 | F | 88.7 | Confident | 92.6 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 20.9 | -175.1 | -55.4 | -18 | 0 | 0 | 0 | 113.2 | Q104 I125 Y144 | Q104-F108 HydrophobicContact CG-CD2 3.46Å; Q104-F108 VanDerWaalsContact CG-CD2 3.46Å; Q104-F108 HydrophobicContact CG-CE2 3.45Å; Q104-F108 VanDerWaalsContact CG-CE2 3.45Å; Q104-F108 HydrophobicContact CG-CG 4.47Å; Q104-F108 HydrophobicContact CG-CZ 4.45Å; Q104-F108 VanDerWaalsContact O-CB 3.29Å; Q104-F108 WeakPolarHBondContact O-CB 3.4Å; Q104-F108 WeakPolarHBondContact O-CG 3.35Å; Q104-F108 PolarHBondContact O-N 3.43Å; F108-I125 HydrophobicContact CE1-CD1 4.27Å; F108-I125 HydrophobicContact CE1-CG1 4.21Å; F108-I125 HydrophobicContact CZ-CD1 4.11Å; F108-I125 HydrophobicContact CZ-CG1 3.7Å; F108-Y144 VanDerWaalsContact CA-CZ 3.44Å; F108-Y144 VanDerWaalsContact CA-OH 3.26Å; F108-Y144 WeakPolarHBondContact CA-OH 3.29Å; F108-Y144 HydrophobicContact CB-CD2 4.28Å; F108-Y144 HydrophobicContact CB-CE1 3.96Å; F108-Y144 HydrophobicContact CB-CE2 3.6Å; F108-Y144 VanDerWaalsContact CB-CZ 3.43Å; F108-Y144 AromaticContact CD1-CD1 3.48Å; F108-Y144 HydrophobicContact CD1-CD1 3.48Å; F108-Y144 VanDerWaalsContact CD1-CD1 3.48Å; F108-Y144 AromaticContact CD1-CD2 3.89Å; F108-Y144 HydrophobicContact CD1-CD2 3.89Å; F108-Y144 AromaticContact CD1-CE1 3.63Å; F108-Y144 HydrophobicContact CD1-CE1 3.63Å; F108-Y144 HydrophobicContact CD1-CE2 4.02Å; F108-Y144 AromaticContact CD1-CG 3.65Å; F108-Y144 HydrophobicContact CD1-CG 3.65Å; F108-Y144 AromaticContact CD1-CZ 3.92Å; F108-Y144 HydrophobicContact CD2-CD2 4.29Å; F108-Y144 HydrophobicContact CD2-CE2 4.33Å; F108-Y144 AromaticContact CE1-CD1 3.98Å; F108-Y144 HydrophobicContact CE1-CD1 3.98Å; F108-Y144 HydrophobicContact CE1-CD2 4.34Å; F108-Y144 AromaticContact CE1-CG 3.89Å; F108-Y144 HydrophobicContact CE1-CG 3.89Å; F108-Y144 HydrophobicContact CG-CD1 4.2Å; F108-Y144 AromaticContact CG-CD2 3.9Å; F108-Y144 HydrophobicContact CG-CD2 3.9Å; F108-Y144 HydrophobicContact CG-CE1 4.06Å; F108-Y144 AromaticContact CG-CE2 3.74Å; F108-Y144 HydrophobicContact CG-CE2 3.74Å; F108-Y144 HydrophobicContact CG-CG 4.16Å; F108-Y144 AromaticContact CG-CZ 3.84Å; F108-Y144 PolarHBondContact O-OH 3.2Å |
| 109 | S | 88.7 | Confident | 92.5 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 43% | 0.427 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.8 | 177.1 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | N73 A105 A106 | N73-S109 PolarHBondContact ND2-OG 3.41Å; A105-S109 VanDerWaalsContact O-CB 3.28Å; A105-S109 WeakPolarHBondContact O-CB 3.43Å; A105-S109 PolarHBondContact O-N 2.84Å; A105-S109 VanDerWaalsContact O-N 3.1Å; A106-S109 PolarHBondContact O-OG 2.91Å |
| 110 | K | 87.9 | Confident | 92.2 | Very high | 115 Ų | 115 | 51.4 Ų | 51.4 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -139.7 | 152.3 | -175.1 | -66.4 | -175.7 | -179.3 | -179.8 | 0 | 110.6 | ||
| 111 | P | 90.7 | Very high | 92 | Very high | 99 Ų | 99 | 51.4 Ų | 51.4 | 64% | 0.643 | 27% | 0.27 | S | S | * | . | trans | -57 | 145.8 | 170.9 | -23.1 | 33.8 | 0 | 0 | 0 | 112 | D113 R117 | P111-D113 PolarHBondContact O-N 3.26Å; P111-R117 WeakPolarHBondContact O-CD 3.29Å; P111-R117 PolarHBondContact O-NH1 2.76Å | ||
| 112 | I | 92.8 | Very high | 91.9 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | trans | -81.3 | 107.9 | 170.6 | -61.4 | 172.2 | 0 | 0 | 0 | 108.1 | R117 A118 Y144 A148 V151 | I112-R117 HydrophobicContact CG2-CB 4.43Å; I112-A118 HydrophobicContact CG2-CB 3.76Å; I112-Y144 HydrophobicContact CD1-CD1 3.68Å; I112-Y144 HydrophobicContact CD1-CE1 4.48Å; I112-Y144 WeakPolarHBondContact CD1-O 3.49Å; I112-Y144 HydrophobicContact CG1-CD1 4.03Å; I112-Y144 HydrophobicContact CG1-CE1 4.36Å; I112-A148 HydrophobicContact CD1-CB 4.02Å; I112-V151 HydrophobicContact CG2-CB 4.39Å; I112-V151 HydrophobicContact CG2-CG2 3.93Å | ||
| 113 | D | 93.5 | Very high | 91.8 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | trans | -120.5 | -16.8 | -179.3 | 52.4 | 3.4 | 0 | 0 | 0 | 113 | P111 R117 R154 | P111-D113 PolarHBondContact O-N 3.26Å; D113-R117 IonicContact OD1-CZ 3.86Å; D113-R117 IonicContact OD1-NE 2.83Å; D113-R117 IonicContact OD1-NH1 3.3Å; D113-R117 PolarHBondContact OD1-NH1 3.04Å; D113-R117 IonicContact OD1-NH2 2.75Å; D113-R117 IonicContact OD2-CZ 4Å; D113-R117 IonicContact OD2-NH1 2.88Å; D113-R117 PolarHBondContact OD2-NH1 3.26Å; D113-R117 IonicContact OD2-NH2 3.37Å; D113-R154 PolarHBondContact O-NH1 3.35Å; D113-R154 PolarHBondContact O-NH2 3Å | ||
| 114 | D | 94.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -133.3 | 162.9 | -179.3 | 71.3 | 49.6 | 0 | 0 | 0 | 113 | R116 R117 A118 | D114-R116 VanDerWaalsContact C-N 3.29Å; D114-R116 PolarHBondContact O-N 3Å; D114-R116 WeakPolarHBondContact OD1-CA 3.29Å; D114-R116 WeakPolarHBondContact OD1-CB 3.36Å; D114-R116 PolarHBondContact OD1-N 2.87Å; D114-R117 PolarHBondContact O-N 2.95Å; D114-R117 PolarHBondContact OD1-N 3.5Å; D114-R117 IonicContact OD2-NE 2.9Å; D114-A118 PolarHBondContact O-N 3.4Å |
| 115 | L | 94.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.4 | -33.5 | -179.1 | -74.7 | 172.6 | 0 | 0 | 0 | 113.6 | A118 D119 V151 Y152 D155 L156 | L115-A118 PolarHBondContact O-N 2.89Å; L115-D119 WeakPolarHBondContact O-CB 3.44Å; L115-D119 PolarHBondContact O-N 3.05Å; L115-V151 HydrophobicContact CD2-CG1 4.01Å; L115-V151 HydrophobicContact CG-CG1 4.28Å; L115-Y152 HydrophobicContact CD2-CD1 3.48Å; L115-Y152 VanDerWaalsContact CD2-CD1 3.48Å; L115-Y152 HydrophobicContact CD2-CE1 3.86Å; L115-D155 HydrophobicContact CD1-CB 3.87Å; L115-D155 HydrophobicContact CD2-CB 4.02Å; L115-D155 HydrophobicContact CG-CB 3.93Å; L115-L156 HydrophobicContact CD1-CD2 3.81Å; L115-L156 HydrophobicContact CD1-CG 4.4Å; L115-L156 HydrophobicContact CD2-CD1 3.93Å; L115-L156 HydrophobicContact CD2-CD2 4.14Å; L115-L156 HydrophobicContact CD2-CG 3.82Å |
| 116 | R | 91.6 | Very high | 91.7 | Very high | 123 Ų | 123 | 45.8 Ų | 45.8 | 46% | 0.464 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67 | -43.2 | -178.4 | 178.1 | -177.5 | 172.3 | -163.2 | -2.2 | 110.3 | E72 S74 D114 A120 | E72-R116 IonicContact OE2-CZ 3.84Å; E72-R116 VanDerWaalsContact OE2-CZ 3.3Å; E72-R116 IonicContact OE2-NH1 2.84Å; E72-R116 PolarHBondContact OE2-NH1 3.47Å; E72-R116 IonicContact OE2-NH2 3.81Å; E72-R116 PolarHBondContact OE2-NH2 2.8Å; S74-R116 VanDerWaalsContact OG-CZ 3.29Å; S74-R116 PolarHBondContact OG-NE 3.39Å; S74-R116 PolarHBondContact OG-NH2 2.93Å; D114-R116 VanDerWaalsContact C-N 3.29Å; D114-R116 PolarHBondContact O-N 3Å; D114-R116 WeakPolarHBondContact OD1-CA 3.29Å; D114-R116 WeakPolarHBondContact OD1-CB 3.36Å; D114-R116 PolarHBondContact OD1-N 2.87Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 2.77Å |
| 117 | R | 91.5 | Very high | 91.7 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 30% | 0.302 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.8 | -37.3 | 175.1 | -69.2 | -171.9 | -165.8 | 152.4 | 18.9 | 112.2 | P111 I112 D113 D114 S121 | P111-R117 WeakPolarHBondContact O-CD 3.29Å; P111-R117 PolarHBondContact O-NH1 2.76Å; I112-R117 HydrophobicContact CG2-CB 4.43Å; D113-R117 IonicContact OD1-CZ 3.86Å; D113-R117 IonicContact OD1-NE 2.83Å; D113-R117 IonicContact OD1-NH1 3.3Å; D113-R117 PolarHBondContact OD1-NH1 3.04Å; D113-R117 IonicContact OD1-NH2 2.75Å; D113-R117 IonicContact OD2-CZ 4Å; D113-R117 IonicContact OD2-NH1 2.88Å; D113-R117 PolarHBondContact OD2-NH1 3.26Å; D113-R117 IonicContact OD2-NH2 3.37Å; D114-R117 PolarHBondContact O-N 2.95Å; D114-R117 PolarHBondContact OD1-N 3.5Å; D114-R117 IonicContact OD2-NE 2.9Å; R117-S121 VanDerWaalsContact O-CB 3.29Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.32Å; R117-S121 PolarHBondContact O-OG 3.23Å |
| 118 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -53.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I112 D114 L115 A120 S121 I122 A148 V151 Y152 | I112-A118 HydrophobicContact CG2-CB 3.76Å; D114-A118 PolarHBondContact O-N 3.4Å; L115-A118 PolarHBondContact O-N 2.89Å; A118-A120 PolarHBondContact O-N 3.19Å; A118-S121 PolarHBondContact O-N 2.89Å; A118-I122 VanDerWaalsContact O-CG1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.36Å; A118-I122 PolarHBondContact O-N 3.43Å; A118-A148 HydrophobicContact CB-CB 4.2Å; A118-V151 HydrophobicContact CB-CB 4.49Å; A118-V151 HydrophobicContact CB-CG1 4.21Å; A118-Y152 HydrophobicContact CB-CD1 4.4Å; A118-Y152 HydrophobicContact CB-CE1 3.81Å; A118-Y152 HydrophobicContact CB-CE2 4.26Å |
| 119 | D | 93.8 | Very high | 91.7 | Very high | 61 Ų | 61 | 46.8 Ų | 46.8 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.1 | -46.7 | 178.6 | -78 | -13.2 | 0 | 0 | 0 | 112.5 | L115 S121 N123 Y152 K162 | L115-D119 WeakPolarHBondContact O-CB 3.44Å; L115-D119 PolarHBondContact O-N 3.05Å; D119-S121 PolarHBondContact O-N 2.99Å; D119-N123 WeakPolarHBondContact O-CB 3.31Å; D119-N123 PolarHBondContact O-N 3.27Å; D119-Y152 VanDerWaalsContact CA-OH 3.3Å; D119-Y152 WeakPolarHBondContact CA-OH 3.3Å; D119-Y152 PolarHBondContact N-OH 3.42Å; D119-Y152 VanDerWaalsContact OD1-CE1 3.31Å; D119-Y152 WeakPolarHBondContact OD1-CE1 3.49Å; D119-Y152 PolarHBondContact OD1-OH 3.15Å; D119-K162 IonicContact OD1-NZ 2.86Å; D119-K162 PolarHBondContact OD1-NZ 3.07Å; D119-K162 IonicContact OD2-NZ 3.39Å; D119-K162 PolarHBondContact OD2-NZ 3.46Å |
| 120 | A | 91.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I77 R116 A118 N123 V124 | I77-A120 HydrophobicContact CD1-CB 4.08Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 2.77Å; A118-A120 PolarHBondContact O-N 3.19Å; A120-N123 PolarHBondContact O-N 3.34Å; A120-V124 WeakPolarHBondContact O-CG2 3.31Å; A120-V124 PolarHBondContact O-N 3.35Å |
| 121 | S | 91.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | -179.4 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | R117 A118 D119 N123 V124 I125 | R117-S121 VanDerWaalsContact O-CB 3.29Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.32Å; R117-S121 PolarHBondContact O-OG 3.23Å; A118-S121 PolarHBondContact O-N 2.89Å; D119-S121 PolarHBondContact O-N 2.99Å; S121-N123 VanDerWaalsContact C-N 3.31Å; S121-N123 PolarHBondContact O-N 3.39Å; S121-V124 PolarHBondContact O-N 2.91Å; S121-I125 WeakPolarHBondContact O-CD1 3.43Å; S121-I125 VanDerWaalsContact O-CG1 3.25Å; S121-I125 WeakPolarHBondContact O-CG1 3.23Å; S121-I125 PolarHBondContact O-N 3.25Å |
| 122 | I | 92.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.5 | -67.1 | -52.7 | 0 | 0 | 0 | 111.3 | A118 I125 K126 L145 A148 Y152 V166 | A118-I122 VanDerWaalsContact O-CG1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.36Å; A118-I122 PolarHBondContact O-N 3.43Å; I122-I125 HydrophobicContact CD1-CD1 4.22Å; I122-I125 PolarHBondContact O-N 2.93Å; I122-K126 HydrophobicContact CG2-CD 4.26Å; I122-K126 WeakPolarHBondContact O-CG 3.37Å; I122-K126 PolarHBondContact O-N 3.06Å; I122-L145 HydrophobicContact CD1-CD2 3.49Å; I122-L145 VanDerWaalsContact CD1-CD2 3.49Å; I122-A148 HydrophobicContact CD1-CB 3.8Å; I122-A148 HydrophobicContact CG1-CB 3.99Å; I122-Y152 HydrophobicContact CG1-CE2 4.01Å; I122-V166 HydrophobicContact CD1-CB 4.46Å; I122-V166 HydrophobicContact CD1-CG2 3.49Å; I122-V166 VanDerWaalsContact CD1-CG2 3.49Å; I122-V166 HydrophobicContact CG1-CG2 4.38Å |
| 123 | N | 91.8 | Very high | 90.9 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 175.7 | -169.1 | 50.6 | 0 | 0 | 0 | 111.5 | L81 D119 A120 S121 I125 K126 E127 | L81-N123 WeakPolarHBondContact CD1-ND2 3.34Å; D119-N123 WeakPolarHBondContact O-CB 3.31Å; D119-N123 PolarHBondContact O-N 3.27Å; A120-N123 PolarHBondContact O-N 3.34Å; S121-N123 VanDerWaalsContact C-N 3.31Å; S121-N123 PolarHBondContact O-N 3.39Å; N123-I125 VanDerWaalsContact C-N 3.33Å; N123-I125 PolarHBondContact O-N 2.98Å; N123-K126 PolarHBondContact O-N 3.06Å; N123-E127 WeakPolarHBondContact O-CG 3.26Å; N123-E127 PolarHBondContact O-N 2.58Å; N123-E127 VanDerWaalsContact O-N 3.08Å |
| 124 | V | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 174.8 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | I77 L81 A103 Q104 A107 A120 S121 K126 E127 L128 | I77-V124 HydrophobicContact CG2-CG2 3.39Å; L81-V124 HydrophobicContact CD1-CG2 3.9Å; L81-V124 HydrophobicContact CD2-CG2 4.3Å; L81-V124 HydrophobicContact CG-CG2 4.34Å; A103-V124 HydrophobicContact CB-CG2 4.2Å; Q104-V124 HydrophobicContact CB-CG1 4.47Å; A107-V124 HydrophobicContact CB-CB 4.2Å; A107-V124 HydrophobicContact CB-CG1 4.38Å; A107-V124 HydrophobicContact CB-CG2 3.9Å; A120-V124 WeakPolarHBondContact O-CG2 3.31Å; A120-V124 PolarHBondContact O-N 3.35Å; S121-V124 PolarHBondContact O-N 2.91Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 3.37Å; V124-E127 PolarHBondContact O-N 2.99Å; V124-L128 HydrophobicContact CG1-CD1 3.68Å; V124-L128 HydrophobicContact CG1-CG 4.09Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.46Å; V124-L128 PolarHBondContact O-N 3.22Å |
| 125 | I | 91.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 178.9 | -72.7 | 164.6 | 0 | 0 | 0 | 111.6 | F108 S121 I122 N123 E127 L128 T129 L141 L145 | F108-I125 HydrophobicContact CE1-CD1 4.27Å; F108-I125 HydrophobicContact CE1-CG1 4.21Å; F108-I125 HydrophobicContact CZ-CD1 4.11Å; F108-I125 HydrophobicContact CZ-CG1 3.7Å; S121-I125 WeakPolarHBondContact O-CD1 3.43Å; S121-I125 VanDerWaalsContact O-CG1 3.25Å; S121-I125 WeakPolarHBondContact O-CG1 3.23Å; S121-I125 PolarHBondContact O-N 3.25Å; I122-I125 HydrophobicContact CD1-CD1 4.22Å; I122-I125 PolarHBondContact O-N 2.93Å; N123-I125 VanDerWaalsContact C-N 3.33Å; N123-I125 PolarHBondContact O-N 2.98Å; I125-E127 VanDerWaalsContact C-N 3.35Å; I125-L128 PolarHBondContact O-N 2.92Å; I125-T129 WeakPolarHBondContact O-CB 3.37Å; I125-T129 PolarHBondContact O-N 3.08Å; I125-T129 PolarHBondContact O-OG1 3.45Å; I125-L141 HydrophobicContact CB-CD1 4.04Å; I125-L141 HydrophobicContact CD1-CD1 3.56Å; I125-L141 HydrophobicContact CG1-CD1 3.51Å; I125-L141 HydrophobicContact CG2-CD1 3.37Å; I125-L145 HydrophobicContact CD1-CD2 3.92Å; I125-L145 HydrophobicContact CD1-CG 4.03Å; I125-L145 HydrophobicContact CG2-CD2 4.39Å |
| 126 | K | 89.9 | Confident | 89.3 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 178.4 | -72.1 | 176.3 | -175.1 | -178.5 | 0 | 110.8 | I122 N123 V124 T129 C130 E165 | I122-K126 HydrophobicContact CG2-CD 4.26Å; I122-K126 WeakPolarHBondContact O-CG 3.37Å; I122-K126 PolarHBondContact O-N 3.06Å; N123-K126 PolarHBondContact O-N 3.06Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 3.37Å; K126-T129 PolarHBondContact O-N 3.28Å; K126-C130 PolarHBondContact O-N 3.47Å; K126-C130 VanDerWaalsContact O-N 3.15Å; K126-C130 PolarHBondContact O-SG 2.99Å; K126-E165 VanDerWaalsContact CE-OE1 3.23Å; K126-E165 WeakPolarHBondContact CE-OE1 3.48Å; K126-E165 IonicContact NZ-OE1 2.93Å; K126-E165 PolarHBondContact NZ-OE1 2.78Å; K126-E165 IonicContact NZ-OE2 3.21Å; K126-E165 PolarHBondContact NZ-OE2 2.79Å |
| 127 | E | 91.7 | Very high | 88.9 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 178.2 | -66 | -57.6 | 123.9 | 0 | 0 | 112.2 | L81 R85 Y100 N123 V124 I125 T129 C130 H131 | L81-E127 HydrophobicContact CD1-CG 4.02Å; L81-E127 HydrophobicContact CD2-CB 3.82Å; L81-E127 HydrophobicContact CD2-CG 3.97Å; L81-E127 HydrophobicContact CG-CG 4.45Å; R85-E127 IonicContact CZ-OE1 2.92Å; R85-E127 IonicContact CZ-OE2 3.56Å; R85-E127 IonicContact NE-OE1 3.91Å; R85-E127 IonicContact NE-OE2 2.78Å; R85-E127 PolarHBondContact NE-OE2 2.73Å; R85-E127 IonicContact NH2-OE1 2.85Å; R85-E127 PolarHBondContact NH2-OE1 2.88Å; R85-E127 IonicContact NH2-OE2 2.99Å; R85-E127 PolarHBondContact NH2-OE2 2.87Å; Y100-E127 HydrophobicContact CE1-CB 4.18Å; N123-E127 WeakPolarHBondContact O-CG 3.26Å; N123-E127 PolarHBondContact O-N 2.58Å; N123-E127 VanDerWaalsContact O-N 3.08Å; V124-E127 PolarHBondContact O-N 2.99Å; I125-E127 VanDerWaalsContact C-N 3.35Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 2.74Å; E127-C130 PolarHBondContact O-N 2.62Å; E127-H131 WeakPolarHBondContact O-CB 3.4Å; E127-H131 PolarHBondContact O-CD2 3.4Å; E127-H131 VanDerWaalsContact O-CD2 3.32Å; E127-H131 PolarHBondContact O-N 2.84Å; E127-H131 IonicContact OE2-CD2 2.74Å; E127-H131 IonicContact OE2-NE2 2.79Å |
| 128 | L | 90.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 177.5 | -67 | 174.6 | 0 | 0 | 0 | 111.5 | Y100 Q104 V124 I125 C130 H131 A132 R133 L135 I136 | Y100-L128 HydrophobicContact CD1-CD2 4.11Å; Y100-L128 HydrophobicContact CG-CD2 4.09Å; Q104-L128 HydrophobicContact CB-CD1 3.95Å; Q104-L128 HydrophobicContact CG-CD1 3.84Å; V124-L128 HydrophobicContact CG1-CD1 3.68Å; V124-L128 HydrophobicContact CG1-CG 4.09Å; V124-L128 VanDerWaalsContact O-CG 3.29Å; V124-L128 WeakPolarHBondContact O-CG 3.46Å; V124-L128 PolarHBondContact O-N 3.22Å; I125-L128 PolarHBondContact O-N 2.92Å; L128-C130 VanDerWaalsContact C-N 3.25Å; L128-C130 PolarHBondContact O-N 3.29Å; L128-H131 PolarHBondContact O-N 3.4Å; L128-A132 HydrophobicContact CD2-CB 4.21Å; L128-A132 CarbonylContact O-C 2.98Å; L128-A132 WeakPolarHBondContact O-CA 3.41Å; L128-A132 PolarHBondContact O-N 3.15Å; L128-R133 WeakPolarHBondContact O-CA 3.49Å; L128-R133 PolarHBondContact O-N 3.34Å; L128-L135 HydrophobicContact CD2-CD1 4.35Å; L128-I136 HydrophobicContact CB-CD1 3.69Å; L128-I136 HydrophobicContact CB-CG1 3.75Å; L128-I136 HydrophobicContact CD1-CG1 4.38Å |
| 129 | T | 87.4 | Confident | 88 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -32.6 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 112 | I125 K126 E127 | I125-T129 WeakPolarHBondContact O-CB 3.37Å; I125-T129 PolarHBondContact O-N 3.08Å; I125-T129 PolarHBondContact O-OG1 3.45Å; K126-T129 PolarHBondContact O-N 3.28Å; E127-T129 VanDerWaalsContact C-N 3.28Å; E127-T129 PolarHBondContact O-N 2.74Å |
| 130 | C | 87.4 | Confident | 87.6 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 68% | 0.676 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -82.1 | -39.2 | 178.6 | -73.4 | 0 | 0 | 0 | 0 | 113.1 | K126 E127 L128 | K126-C130 PolarHBondContact O-N 3.47Å; K126-C130 VanDerWaalsContact O-N 3.15Å; K126-C130 PolarHBondContact O-SG 2.99Å; E127-C130 PolarHBondContact O-N 2.62Å; L128-C130 VanDerWaalsContact C-N 3.25Å; L128-C130 PolarHBondContact O-N 3.29Å |
| 131 | H | 87.5 | Confident | 87.3 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 38% | 0.384 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -114.2 | -28.2 | -164.3 | -67.6 | -80.2 | 0 | 0 | 0 | 114.4 | E88 Y100 E127 L128 | E88-H131 VanDerWaalsContact CD-ND1 3.3Å; E88-H131 WeakPolarHBondContact OE1-CB 3.29Å; E88-H131 IonicContact OE1-CG 3.53Å; E88-H131 IonicContact OE1-ND1 2.62Å; E88-H131 PolarHBondContact OE1-ND1 2.83Å; E88-H131 IonicContact OE2-CE1 3.61Å; E88-H131 PolarHBondContact OE2-CE1 2.84Å; E88-H131 IonicContact OE2-CG 2.8Å; E88-H131 IonicContact OE2-ND1 3.88Å; E88-H131 PolarHBondContact OE2-ND1 2.9Å; Y100-H131 HydrophobicContact CD2-CB 4.45Å; Y100-H131 HydrophobicContact CE1-CB 4.26Å; Y100-H131 HydrophobicContact CE2-CB 3.55Å; Y100-H131 VanDerWaalsContact CZ-CB 3.45Å; Y100-H131 AromaticContact CZ-CG 3.86Å; Y100-H131 WeakPolarHBondContact OH-CB 3.47Å; Y100-H131 VanDerWaalsContact OH-CG 3.22Å; E127-H131 WeakPolarHBondContact O-CB 3.4Å; E127-H131 PolarHBondContact O-CD2 3.4Å; E127-H131 VanDerWaalsContact O-CD2 3.32Å; E127-H131 PolarHBondContact O-N 2.84Å; E127-H131 IonicContact OE2-CD2 2.74Å; E127-H131 IonicContact OE2-NE2 2.79Å; L128-H131 PolarHBondContact O-N 3.4Å |
| 132 | A | 86.4 | Confident | 87.1 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | trans | -148.8 | 52.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y100 L128 D134 L135 | Y100-A132 HydrophobicContact CD2-CB 3.95Å; Y100-A132 HydrophobicContact CG-CB 4.26Å; L128-A132 HydrophobicContact CD2-CB 4.21Å; L128-A132 CarbonylContact O-C 2.98Å; L128-A132 WeakPolarHBondContact O-CA 3.41Å; L128-A132 PolarHBondContact O-N 3.15Å; A132-D134 PolarHBondContact O-N 2.85Å; A132-D134 VanDerWaalsContact O-N 3.15Å; A132-L135 HydrophobicContact CB-CD1 3.52Å; A132-L135 HydrophobicContact CB-CG 3.96Å; A132-L135 WeakPolarHBondContact O-CB 3.25Å; A132-L135 PolarHBondContact O-N 3.46Å | ||
| 133 | R | 83.5 | Confident | 87 | Confident | 174 Ų | 174 | 68.2 Ų | 68.2 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -56.3 | -34.5 | -174.5 | -173.8 | 178.6 | -66.9 | 177.3 | -1.7 | 112.6 | L128 L135 I136 | L128-R133 WeakPolarHBondContact O-CA 3.49Å; L128-R133 PolarHBondContact O-N 3.34Å; R133-L135 PolarHBondContact O-N 2.86Å; R133-I136 WeakPolarHBondContact O-CB 3.48Å; R133-I136 PolarHBondContact O-N 3.47Å; R133-I136 VanDerWaalsContact O-N 3.1Å |
| 134 | D | 85.1 | Confident | 87.1 | Confident | 164 Ų | 164 | 66.8 Ų | 66.8 | 88% | 0.877 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -66.3 | -16.8 | -178.6 | -57.9 | -25.6 | 0 | 0 | 0 | 113.3 | A132 I136 | A132-D134 PolarHBondContact O-N 2.85Å; A132-D134 VanDerWaalsContact O-N 3.15Å; D134-I136 VanDerWaalsContact C-N 3.34Å |
| 135 | L | 81.6 | Confident | 87.1 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -83.7 | -11.5 | 176.2 | -57.6 | 179 | 0 | 0 | 0 | 113.3 | I97 E101 Q104 L128 A132 R133 D137 | I97-L135 HydrophobicContact CG2-CD1 3.96Å; I97-L135 HydrophobicContact CG2-CD2 4.02Å; I97-L135 HydrophobicContact CG2-CG 4.5Å; E101-L135 HydrophobicContact CG-CD1 3.85Å; E101-L135 HydrophobicContact CG-CD2 4.15Å; Q104-L135 PolarHBondContact NE2-O 3.3Å; L128-L135 HydrophobicContact CD2-CD1 4.35Å; A132-L135 HydrophobicContact CB-CD1 3.52Å; A132-L135 HydrophobicContact CB-CG 3.96Å; A132-L135 WeakPolarHBondContact O-CB 3.25Å; A132-L135 PolarHBondContact O-N 3.46Å; R133-L135 PolarHBondContact O-N 2.86Å; L135-D137 PolarHBondContact O-N 3.47Å |
| 136 | I | 81.5 | Confident | 87.2 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | trans | -83.2 | 111.1 | -173.8 | -60.9 | -178.9 | 0 | 0 | 0 | 109.5 | L128 R133 D134 C138 L141 | L128-I136 HydrophobicContact CB-CD1 3.69Å; L128-I136 HydrophobicContact CB-CG1 3.75Å; L128-I136 HydrophobicContact CD1-CG1 4.38Å; R133-I136 WeakPolarHBondContact O-CB 3.48Å; R133-I136 PolarHBondContact O-N 3.47Å; R133-I136 VanDerWaalsContact O-N 3.1Å; D134-I136 VanDerWaalsContact C-N 3.34Å; I136-C138 PolarHBondContact O-N 3.27Å; I136-C138 VanDerWaalsContact O-N 3.12Å; I136-L141 HydrophobicContact CG2-CB 3.69Å; I136-L141 HydrophobicContact CG2-CD2 3.49Å; I136-L141 VanDerWaalsContact CG2-CD2 3.49Å; I136-L141 HydrophobicContact CG2-CG 4.08Å | ||
| 137 | D | 83.7 | Confident | 87.5 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | trans | -69.4 | 103 | 160.2 | 179.3 | -22.8 | 0 | 0 | 0 | 108.6 | L135 R139 K140 L141 | L135-D137 PolarHBondContact O-N 3.47Å; D137-R139 PolarHBondContact O-N 2.91Å; D137-R139 VanDerWaalsContact O-N 3.12Å; D137-R139 WeakPolarHBondContact OD1-CB 3.27Å; D137-R139 PolarHBondContact OD1-N 3.28Å; D137-K140 HydrophobicContact CB-CB 4.09Å; D137-K140 HydrophobicContact CB-CD 4.15Å; D137-K140 HydrophobicContact CB-CG 4.22Å; D137-K140 PolarHBondContact O-N 2.71Å; D137-K140 VanDerWaalsContact O-N 3.13Å; D137-K140 PolarHBondContact OD1-N 2.93Å; D137-K140 WeakPolarHBondContact OD2-CG 3.45Å; D137-L141 WeakPolarHBondContact O-CB 3.4Å; D137-L141 PolarHBondContact O-N 3.15Å | ||
| 138 | C | 82 | Confident | 87.7 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 60% | 0.601 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.1 | -31.7 | -177.6 | -69.1 | 0 | 0 | 0 | 0 | 113.3 | I136 K142 | I136-C138 PolarHBondContact O-N 3.27Å; I136-C138 VanDerWaalsContact O-N 3.12Å; C138-K142 WeakPolarHBondContact O-CB 3.33Å; C138-K142 PolarHBondContact O-N 3.4Å; C138-K142 VanDerWaalsContact O-N 3.1Å |
| 139 | R | 84.4 | Confident | 87.9 | Confident | 182 Ų | 182 | 69 Ų | 69 | 69% | 0.687 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.3 | -50.4 | 178.5 | -178.6 | -178.5 | 174.6 | 169.1 | 3.8 | 110.5 | D137 L141 K142 E143 | D137-R139 PolarHBondContact O-N 2.91Å; D137-R139 VanDerWaalsContact O-N 3.12Å; D137-R139 WeakPolarHBondContact OD1-CB 3.27Å; D137-R139 PolarHBondContact OD1-N 3.28Å; R139-L141 VanDerWaalsContact C-N 3.3Å; R139-L141 PolarHBondContact O-N 3.33Å; R139-K142 PolarHBondContact O-N 3.12Å; R139-E143 IonicContact NE-OE1 3.37Å; R139-E143 PolarHBondContact NE-OE1 3.03Å; R139-E143 WeakPolarHBondContact O-CG 3.38Å; R139-E143 PolarHBondContact O-N 2.81Å; R139-E143 VanDerWaalsContact O-N 3.14Å |
| 140 | K | 84.3 | Confident | 88.4 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 48% | 0.478 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.3 | -71.8 | -178.5 | -176.7 | 175.7 | 0 | 110.9 | D137 K142 E143 Y144 | D137-K140 HydrophobicContact CB-CB 4.09Å; D137-K140 HydrophobicContact CB-CD 4.15Å; D137-K140 HydrophobicContact CB-CG 4.22Å; D137-K140 PolarHBondContact O-N 2.71Å; D137-K140 VanDerWaalsContact O-N 3.13Å; D137-K140 PolarHBondContact OD1-N 2.93Å; D137-K140 WeakPolarHBondContact OD2-CG 3.45Å; K140-K142 VanDerWaalsContact C-N 3.27Å; K140-K142 PolarHBondContact O-N 2.93Å; K140-E143 PolarHBondContact O-N 3.42Å; K140-E143 VanDerWaalsContact O-N 3.15Å; K140-Y144 VanDerWaalsContact O-CD2 3.31Å; K140-Y144 WeakPolarHBondContact O-CD2 3.27Å; K140-Y144 PolarHBondContact O-N 3.38Å |
| 141 | L | 85.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52 | -48.4 | 176.6 | 171.3 | 60.8 | 0 | 0 | 0 | 111.2 | I125 I136 D137 R139 Y144 L145 L173 | I125-L141 HydrophobicContact CB-CD1 4.04Å; I125-L141 HydrophobicContact CD1-CD1 3.56Å; I125-L141 HydrophobicContact CG1-CD1 3.51Å; I125-L141 HydrophobicContact CG2-CD1 3.37Å; I136-L141 HydrophobicContact CG2-CB 3.69Å; I136-L141 HydrophobicContact CG2-CD2 3.49Å; I136-L141 VanDerWaalsContact CG2-CD2 3.49Å; I136-L141 HydrophobicContact CG2-CG 4.08Å; D137-L141 WeakPolarHBondContact O-CB 3.4Å; D137-L141 PolarHBondContact O-N 3.15Å; R139-L141 VanDerWaalsContact C-N 3.3Å; R139-L141 PolarHBondContact O-N 3.33Å; L141-Y144 PolarHBondContact O-N 3.19Å; L141-L145 HydrophobicContact CD1-CD1 3.7Å; L141-L145 HydrophobicContact CD1-CG 3.9Å; L141-L145 HydrophobicContact CD2-CD1 4.46Å; L141-L145 HydrophobicContact CG-CD1 3.79Å; L141-L145 HydrophobicContact CG-CG 4.4Å; L141-L145 WeakPolarHBondContact O-CB 3.38Å; L141-L145 VanDerWaalsContact O-CG 3.26Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 3.4Å; L141-L173 HydrophobicContact CD2-CD1 3.74Å; L141-L173 HydrophobicContact CD2-CD2 4.08Å; L141-L173 HydrophobicContact CG-CD1 3.97Å |
| 142 | K | 88.3 | Confident | 89.4 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 178.6 | -176.1 | 180 | 175.3 | -176.9 | 0 | 112.3 | C138 R139 K140 Y144 L145 E146 L170 | C138-K142 WeakPolarHBondContact O-CB 3.33Å; C138-K142 PolarHBondContact O-N 3.4Å; C138-K142 VanDerWaalsContact O-N 3.1Å; R139-K142 PolarHBondContact O-N 3.12Å; K140-K142 VanDerWaalsContact C-N 3.27Å; K140-K142 PolarHBondContact O-N 2.93Å; K142-Y144 VanDerWaalsContact C-N 3.32Å; K142-Y144 PolarHBondContact O-N 2.78Å; K142-L145 PolarHBondContact O-N 3.14Å; K142-E146 WeakPolarHBondContact CE-OE1 3.44Å; K142-E146 HydrophobicContact CG-CG 4.44Å; K142-E146 WeakPolarHBondContact O-CB 3.39Å; K142-E146 WeakPolarHBondContact O-CG 3.45Å; K142-E146 PolarHBondContact O-N 2.9Å; K142-L170 HydrophobicContact CG-CD2 4.25Å |
| 143 | E | 90.6 | Very high | 89.9 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 42% | 0.416 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 178.9 | -68.9 | 170.5 | -172.5 | 0 | 0 | 111.8 | R139 K140 S147 | R139-E143 IonicContact NE-OE1 3.37Å; R139-E143 PolarHBondContact NE-OE1 3.03Å; R139-E143 WeakPolarHBondContact O-CG 3.38Å; R139-E143 PolarHBondContact O-N 2.81Å; R139-E143 VanDerWaalsContact O-N 3.14Å; K140-E143 PolarHBondContact O-N 3.42Å; K140-E143 VanDerWaalsContact O-N 3.15Å; E143-S147 WeakPolarHBondContact O-CB 3.27Å; E143-S147 PolarHBondContact O-N 3.43Å; E143-S147 PolarHBondContact O-OG 3.13Å |
| 144 | Y | 92.1 | Very high | 90.5 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 177.1 | -85.9 | -82.8 | 0 | 0 | 0 | 112.6 | F108 I112 K140 L141 K142 S147 A148 | F108-Y144 VanDerWaalsContact CA-CZ 3.44Å; F108-Y144 VanDerWaalsContact CA-OH 3.26Å; F108-Y144 WeakPolarHBondContact CA-OH 3.29Å; F108-Y144 HydrophobicContact CB-CD2 4.28Å; F108-Y144 HydrophobicContact CB-CE1 3.96Å; F108-Y144 HydrophobicContact CB-CE2 3.6Å; F108-Y144 VanDerWaalsContact CB-CZ 3.43Å; F108-Y144 AromaticContact CD1-CD1 3.48Å; F108-Y144 HydrophobicContact CD1-CD1 3.48Å; F108-Y144 VanDerWaalsContact CD1-CD1 3.48Å; F108-Y144 AromaticContact CD1-CD2 3.89Å; F108-Y144 HydrophobicContact CD1-CD2 3.89Å; F108-Y144 AromaticContact CD1-CE1 3.63Å; F108-Y144 HydrophobicContact CD1-CE1 3.63Å; F108-Y144 HydrophobicContact CD1-CE2 4.02Å; F108-Y144 AromaticContact CD1-CG 3.65Å; F108-Y144 HydrophobicContact CD1-CG 3.65Å; F108-Y144 AromaticContact CD1-CZ 3.92Å; F108-Y144 HydrophobicContact CD2-CD2 4.29Å; F108-Y144 HydrophobicContact CD2-CE2 4.33Å; F108-Y144 AromaticContact CE1-CD1 3.98Å; F108-Y144 HydrophobicContact CE1-CD1 3.98Å; F108-Y144 HydrophobicContact CE1-CD2 4.34Å; F108-Y144 AromaticContact CE1-CG 3.89Å; F108-Y144 HydrophobicContact CE1-CG 3.89Å; F108-Y144 HydrophobicContact CG-CD1 4.2Å; F108-Y144 AromaticContact CG-CD2 3.9Å; F108-Y144 HydrophobicContact CG-CD2 3.9Å; F108-Y144 HydrophobicContact CG-CE1 4.06Å; F108-Y144 AromaticContact CG-CE2 3.74Å; F108-Y144 HydrophobicContact CG-CE2 3.74Å; F108-Y144 HydrophobicContact CG-CG 4.16Å; F108-Y144 AromaticContact CG-CZ 3.84Å; F108-Y144 PolarHBondContact O-OH 3.2Å; I112-Y144 HydrophobicContact CD1-CD1 3.68Å; I112-Y144 HydrophobicContact CD1-CE1 4.48Å; I112-Y144 WeakPolarHBondContact CD1-O 3.49Å; I112-Y144 HydrophobicContact CG1-CD1 4.03Å; I112-Y144 HydrophobicContact CG1-CE1 4.36Å; K140-Y144 VanDerWaalsContact O-CD2 3.31Å; K140-Y144 WeakPolarHBondContact O-CD2 3.27Å; K140-Y144 PolarHBondContact O-N 3.38Å; L141-Y144 PolarHBondContact O-N 3.19Å; K142-Y144 VanDerWaalsContact C-N 3.32Å; K142-Y144 PolarHBondContact O-N 2.78Å; Y144-S147 PolarHBondContact O-N 3.03Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 2.98Å |
| 145 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -41 | 175.2 | -75.2 | 170.2 | 0 | 0 | 0 | 112.1 | I122 I125 L141 K142 S147 A148 A149 V166 I169 L170 L173 | I122-L145 HydrophobicContact CD1-CD2 3.49Å; I122-L145 VanDerWaalsContact CD1-CD2 3.49Å; I125-L145 HydrophobicContact CD1-CD2 3.92Å; I125-L145 HydrophobicContact CD1-CG 4.03Å; I125-L145 HydrophobicContact CG2-CD2 4.39Å; L141-L145 HydrophobicContact CD1-CD1 3.7Å; L141-L145 HydrophobicContact CD1-CG 3.9Å; L141-L145 HydrophobicContact CD2-CD1 4.46Å; L141-L145 HydrophobicContact CG-CD1 3.79Å; L141-L145 HydrophobicContact CG-CG 4.4Å; L141-L145 WeakPolarHBondContact O-CB 3.38Å; L141-L145 VanDerWaalsContact O-CG 3.26Å; L141-L145 WeakPolarHBondContact O-CG 3.44Å; L141-L145 PolarHBondContact O-N 3.4Å; K142-L145 PolarHBondContact O-N 3.14Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-A148 PolarHBondContact O-N 3.13Å; L145-A149 VanDerWaalsContact O-CB 3.32Å; L145-A149 WeakPolarHBondContact O-CB 3.18Å; L145-A149 PolarHBondContact O-N 3.12Å; L145-V166 HydrophobicContact CB-CG2 4.35Å; L145-V166 HydrophobicContact CD2-CG2 3.55Å; L145-I169 HydrophobicContact CD1-CG2 3.64Å; L145-I169 HydrophobicContact CD2-CB 4.44Å; L145-I169 HydrophobicContact CD2-CG2 3.98Å; L145-L170 HydrophobicContact CB-CD1 4.26Å; L145-L170 HydrophobicContact CB-CD2 3.36Å; L145-L170 HydrophobicContact CB-CG 3.7Å; L145-L170 HydrophobicContact CD1-CD2 4.03Å; L145-L170 HydrophobicContact CD1-CG 4.39Å; L145-L170 HydrophobicContact CG-CD2 4.35Å; L145-L173 HydrophobicContact CD1-CD1 3.29Å |
| 146 | E | 94.5 | Very high | 91.9 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 175.7 | -74.1 | 175.3 | 170.8 | 0 | 0 | 111.1 | K142 A149 A150 L170 | K142-E146 WeakPolarHBondContact CE-OE1 3.44Å; K142-E146 HydrophobicContact CG-CG 4.44Å; K142-E146 WeakPolarHBondContact O-CB 3.39Å; K142-E146 WeakPolarHBondContact O-CG 3.45Å; K142-E146 PolarHBondContact O-N 2.9Å; E146-A149 PolarHBondContact O-N 3.1Å; E146-A150 PolarHBondContact O-N 3.2Å; E146-L170 HydrophobicContact CG-CD1 4.05Å; E146-L170 HydrophobicContact CG-CD2 3.77Å |
| 147 | S | 95.4 | Very high | 92.6 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | E143 Y144 L145 A150 V151 | E143-S147 WeakPolarHBondContact O-CB 3.27Å; E143-S147 PolarHBondContact O-N 3.43Å; E143-S147 PolarHBondContact O-OG 3.13Å; Y144-S147 PolarHBondContact O-N 3.03Å; L145-S147 VanDerWaalsContact C-N 3.33Å; S147-A150 PolarHBondContact O-N 3.02Å; S147-V151 PolarHBondContact O-N 2.84Å; S147-V151 VanDerWaalsContact O-N 3.13Å |
| 148 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I112 A118 I122 Y144 L145 A150 V151 Y152 V166 | I112-A148 HydrophobicContact CD1-CB 4.02Å; A118-A148 HydrophobicContact CB-CB 4.2Å; I122-A148 HydrophobicContact CD1-CB 3.8Å; I122-A148 HydrophobicContact CG1-CB 3.99Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 2.98Å; L145-A148 PolarHBondContact O-N 3.13Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-A150 PolarHBondContact O-N 3.12Å; A148-V151 PolarHBondContact O-N 2.83Å; A148-Y152 HydrophobicContact CB-CE2 4.36Å; A148-Y152 VanDerWaalsContact O-CD2 3.27Å; A148-Y152 WeakPolarHBondContact O-CD2 3.48Å; A148-Y152 PolarHBondContact O-N 3.31Å; A148-V166 HydrophobicContact CB-CG2 4.33Å |
| 149 | A | 95.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L145 E146 V151 Y152 A153 V166 L170 | L145-A149 VanDerWaalsContact O-CB 3.32Å; L145-A149 WeakPolarHBondContact O-CB 3.18Å; L145-A149 PolarHBondContact O-N 3.12Å; E146-A149 PolarHBondContact O-N 3.1Å; A149-V151 VanDerWaalsContact C-N 3.35Å; A149-V151 PolarHBondContact O-N 3.41Å; A149-Y152 PolarHBondContact O-N 2.97Å; A149-A153 VanDerWaalsContact O-CB 3.23Å; A149-A153 WeakPolarHBondContact O-CB 3.26Å; A149-A153 PolarHBondContact O-N 3.13Å; A149-V166 HydrophobicContact CB-CG1 3.53Å; A149-L170 HydrophobicContact CB-CD1 3.95Å |
| 150 | A | 96.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E146 S147 A148 R154 | E146-A150 PolarHBondContact O-N 3.2Å; S147-A150 PolarHBondContact O-N 3.02Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-A150 PolarHBondContact O-N 3.12Å; A150-R154 WeakPolarHBondContact O-CB 3.4Å; A150-R154 PolarHBondContact O-N 3.47Å |
| 151 | V | 97.8 | Very high | 95 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | I112 L115 A118 S147 A148 A149 R154 D155 | I112-V151 HydrophobicContact CG2-CB 4.39Å; I112-V151 HydrophobicContact CG2-CG2 3.93Å; L115-V151 HydrophobicContact CD2-CG1 4.01Å; L115-V151 HydrophobicContact CG-CG1 4.28Å; A118-V151 HydrophobicContact CB-CB 4.49Å; A118-V151 HydrophobicContact CB-CG1 4.21Å; S147-V151 PolarHBondContact O-N 2.84Å; S147-V151 VanDerWaalsContact O-N 3.13Å; A148-V151 PolarHBondContact O-N 2.83Å; A149-V151 VanDerWaalsContact C-N 3.35Å; A149-V151 PolarHBondContact O-N 3.41Å; V151-R154 PolarHBondContact O-N 3.4Å; V151-D155 WeakPolarHBondContact O-CB 3.32Å; V151-D155 PolarHBondContact O-N 3.41Å |
| 152 | Y | 98.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.1 | -67.7 | -45.2 | 0 | 0 | 0 | 112.3 | L115 A118 D119 I122 A148 A149 R154 D155 L156 G157 K162 T163 V166 | L115-Y152 HydrophobicContact CD2-CD1 3.48Å; L115-Y152 VanDerWaalsContact CD2-CD1 3.48Å; L115-Y152 HydrophobicContact CD2-CE1 3.86Å; A118-Y152 HydrophobicContact CB-CD1 4.4Å; A118-Y152 HydrophobicContact CB-CE1 3.81Å; A118-Y152 HydrophobicContact CB-CE2 4.26Å; D119-Y152 VanDerWaalsContact CA-OH 3.3Å; D119-Y152 WeakPolarHBondContact CA-OH 3.3Å; D119-Y152 PolarHBondContact N-OH 3.42Å; D119-Y152 VanDerWaalsContact OD1-CE1 3.31Å; D119-Y152 WeakPolarHBondContact OD1-CE1 3.49Å; D119-Y152 PolarHBondContact OD1-OH 3.15Å; I122-Y152 HydrophobicContact CG1-CE2 4.01Å; A148-Y152 HydrophobicContact CB-CE2 4.36Å; A148-Y152 VanDerWaalsContact O-CD2 3.27Å; A148-Y152 WeakPolarHBondContact O-CD2 3.48Å; A148-Y152 PolarHBondContact O-N 3.31Å; A149-Y152 PolarHBondContact O-N 2.97Å; Y152-R154 VanDerWaalsContact C-N 3.31Å; Y152-R154 PolarHBondContact O-N 3.05Å; Y152-D155 PolarHBondContact O-N 2.87Å; Y152-L156 HydrophobicContact CD1-CD1 3.66Å; Y152-L156 HydrophobicContact CD1-CG 4.46Å; Y152-L156 HydrophobicContact CE1-CD1 4.32Å; Y152-L156 HydrophobicContact CG-CD1 4.44Å; Y152-L156 WeakPolarHBondContact O-CA 3.49Å; Y152-L156 WeakPolarHBondContact O-CB 3.4Å; Y152-L156 PolarHBondContact O-N 2.92Å; Y152-G157 PolarHBondContact O-N 3.45Å; Y152-G157 VanDerWaalsContact O-N 3.12Å; Y152-K162 HydrophobicContact CD1-CB 4.17Å; Y152-K162 HydrophobicContact CD1-CD 4.33Å; Y152-K162 HydrophobicContact CD2-CB 4.2Å; Y152-K162 HydrophobicContact CE1-CB 4.17Å; Y152-K162 HydrophobicContact CE1-CD 3.79Å; Y152-K162 HydrophobicContact CE2-CB 4.18Å; Y152-K162 HydrophobicContact CG-CB 4.2Å; Y152-T163 VanDerWaalsContact C-OG1 3.3Å; Y152-T163 VanDerWaalsContact CB-OG1 3.27Å; Y152-T163 WeakPolarHBondContact CB-OG1 3.31Å; Y152-T163 PolarHBondContact O-OG1 3.29Å; Y152-V166 HydrophobicContact CD2-CB 4.42Å; Y152-V166 HydrophobicContact CD2-CG1 3.96Å |
| 153 | A | 97.2 | Very high | 95.9 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A149 G157 E158 T163 | A149-A153 VanDerWaalsContact O-CB 3.23Å; A149-A153 WeakPolarHBondContact O-CB 3.26Å; A149-A153 PolarHBondContact O-N 3.13Å; A153-G157 WeakPolarHBondContact O-CA 3.23Å; A153-G157 PolarHBondContact O-N 3.4Å; A153-E158 WeakPolarHBondContact CB-OE1 3.39Å; A153-T163 HydrophobicContact CB-CG2 3.95Å |
| 154 | R | 97.5 | Very high | 96.1 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.4 | -46.2 | 178.5 | -177.2 | -168.7 | 68.6 | -157.8 | -2.3 | 112.6 | D113 A150 V151 Y152 | D113-R154 PolarHBondContact O-NH1 3.35Å; D113-R154 PolarHBondContact O-NH2 3Å; A150-R154 WeakPolarHBondContact O-CB 3.4Å; A150-R154 PolarHBondContact O-N 3.47Å; V151-R154 PolarHBondContact O-N 3.4Å; Y152-R154 VanDerWaalsContact C-N 3.31Å; Y152-R154 PolarHBondContact O-N 3.05Å |
| 155 | D | 97.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 40% | 0.401 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -99 | -27.8 | -166.9 | -64.6 | -11.6 | 0 | 0 | 0 | 113.7 | L115 V151 Y152 | L115-D155 HydrophobicContact CD1-CB 3.87Å; L115-D155 HydrophobicContact CD2-CB 4.02Å; L115-D155 HydrophobicContact CG-CB 3.93Å; V151-D155 WeakPolarHBondContact O-CB 3.32Å; V151-D155 PolarHBondContact O-N 3.41Å; Y152-D155 PolarHBondContact O-N 2.87Å |
| 156 | L | 97.6 | Very high | 96.3 | Very high | 67 Ų | 67 | 56.6 Ų | 56.6 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -24.1 | -179.9 | -50.8 | 179.9 | 0 | 0 | 0 | 112.7 | L115 Y152 D160 K162 | L115-L156 HydrophobicContact CD1-CD2 3.81Å; L115-L156 HydrophobicContact CD1-CG 4.4Å; L115-L156 HydrophobicContact CD2-CD1 3.93Å; L115-L156 HydrophobicContact CD2-CD2 4.14Å; L115-L156 HydrophobicContact CD2-CG 3.82Å; Y152-L156 HydrophobicContact CD1-CD1 3.66Å; Y152-L156 HydrophobicContact CD1-CG 4.46Å; Y152-L156 HydrophobicContact CE1-CD1 4.32Å; Y152-L156 HydrophobicContact CG-CD1 4.44Å; Y152-L156 WeakPolarHBondContact O-CA 3.49Å; Y152-L156 WeakPolarHBondContact O-CB 3.4Å; Y152-L156 PolarHBondContact O-N 2.92Å; L156-D160 HydrophobicContact CB-CB 3.56Å; L156-D160 HydrophobicContact CD1-CB 4.48Å; L156-D160 WeakPolarHBondContact CD1-OD1 3.2Å; L156-K162 HydrophobicContact CD1-CB 4.29Å; L156-K162 HydrophobicContact CD1-CD 3.97Å |
| 157 | G | 96.7 | Very high | 96.3 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | trans | 98.7 | 157.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y152 A153 N159 D160 T163 | Y152-G157 PolarHBondContact O-N 3.45Å; Y152-G157 VanDerWaalsContact O-N 3.12Å; A153-G157 WeakPolarHBondContact O-CA 3.23Å; A153-G157 PolarHBondContact O-N 3.4Å; G157-N159 PolarHBondContact O-N 2.9Å; G157-D160 WeakPolarHBondContact O-CB 3.35Å; G157-D160 PolarHBondContact O-N 3.34Å; G157-D160 VanDerWaalsContact O-N 3.14Å; G157-T163 WeakPolarHBondContact O-CB 3.24Å; G157-T163 PolarHBondContact O-OG1 3.49Å | ||
| 158 | E | 95.3 | Very high | 96.1 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.6 | -176.3 | -67 | -68.4 | 171.5 | 0 | 0 | 114.2 | A153 Q167 | A153-E158 WeakPolarHBondContact CB-OE1 3.39Å; E158-Q167 PolarHBondContact OE2-NE2 3.23Å |
| 159 | N | 95.8 | Very high | 95.7 | Very high | 146 Ų | 146 | 59.9 Ų | 59.9 | 78% | 0.781 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 1.9 | -178.2 | -63.5 | -42.6 | 0 | 0 | 0 | 113.4 | G157 I164 | G157-N159 PolarHBondContact O-N 2.9Å; N159-I164 WeakPolarHBondContact O-CD1 3.37Å |
| 160 | D | 97.4 | Very high | 95.4 | Very high | 46 Ų | 46 | 60 Ų | 60 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -64.7 | 139.2 | 174.5 | -176.4 | -89.4 | 0 | 0 | 0 | 110 | L156 G157 K162 T163 I164 | L156-D160 HydrophobicContact CB-CB 3.56Å; L156-D160 HydrophobicContact CD1-CB 4.48Å; L156-D160 WeakPolarHBondContact CD1-OD1 3.2Å; G157-D160 WeakPolarHBondContact O-CB 3.35Å; G157-D160 PolarHBondContact O-N 3.34Å; G157-D160 VanDerWaalsContact O-N 3.14Å; D160-K162 PolarHBondContact O-N 3.02Å; D160-K162 VanDerWaalsContact O-N 3.13Å; D160-K162 VanDerWaalsContact OD1-CB 3.29Å; D160-K162 WeakPolarHBondContact OD1-CB 3.42Å; D160-K162 PolarHBondContact OD1-N 3.29Å; D160-T163 WeakPolarHBondContact O-CB 3.41Å; D160-T163 PolarHBondContact O-N 3.41Å; D160-I164 WeakPolarHBondContact O-CG1 3.38Å; D160-I164 PolarHBondContact O-N 2.88Å |
| 161 | P | 96.8 | Very high | 95 | Very high | 97 Ų | 97 | 60.5 Ų | 60.5 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -53.1 | -34.5 | 179.7 | -29.3 | 36.4 | 0 | 0 | 0 | 114.5 | E165 | P161-E165 VanDerWaalsContact O-CB 3.27Å; P161-E165 WeakPolarHBondContact O-CB 3.46Å; P161-E165 PolarHBondContact O-N 3.45Å |
| 162 | K | 95.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 62 Ų | 62 | 34% | 0.335 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.9 | -40.6 | 177.5 | -64.8 | -175.5 | 175.4 | -173.7 | 0 | 111.8 | D119 Y152 L156 D160 I164 E165 V166 | D119-K162 IonicContact OD1-NZ 2.86Å; D119-K162 PolarHBondContact OD1-NZ 3.07Å; D119-K162 IonicContact OD2-NZ 3.39Å; D119-K162 PolarHBondContact OD2-NZ 3.46Å; Y152-K162 HydrophobicContact CD1-CB 4.17Å; Y152-K162 HydrophobicContact CD1-CD 4.33Å; Y152-K162 HydrophobicContact CD2-CB 4.2Å; Y152-K162 HydrophobicContact CE1-CB 4.17Å; Y152-K162 HydrophobicContact CE1-CD 3.79Å; Y152-K162 HydrophobicContact CE2-CB 4.18Å; Y152-K162 HydrophobicContact CG-CB 4.2Å; L156-K162 HydrophobicContact CD1-CB 4.29Å; L156-K162 HydrophobicContact CD1-CD 3.97Å; D160-K162 PolarHBondContact O-N 3.02Å; D160-K162 VanDerWaalsContact O-N 3.13Å; D160-K162 VanDerWaalsContact OD1-CB 3.29Å; D160-K162 WeakPolarHBondContact OD1-CB 3.42Å; D160-K162 PolarHBondContact OD1-N 3.29Å; K162-I164 VanDerWaalsContact C-N 3.35Å; K162-E165 PolarHBondContact O-N 2.89Å; K162-V166 PolarHBondContact O-N 3.26Å |
| 163 | T | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 175 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | Y152 A153 G157 D160 V166 Q167 | Y152-T163 VanDerWaalsContact C-OG1 3.3Å; Y152-T163 VanDerWaalsContact CB-OG1 3.27Å; Y152-T163 WeakPolarHBondContact CB-OG1 3.31Å; Y152-T163 PolarHBondContact O-OG1 3.29Å; A153-T163 HydrophobicContact CB-CG2 3.95Å; G157-T163 WeakPolarHBondContact O-CB 3.24Å; G157-T163 PolarHBondContact O-OG1 3.49Å; D160-T163 WeakPolarHBondContact O-CB 3.41Å; D160-T163 PolarHBondContact O-N 3.41Å; T163-V166 WeakPolarHBondContact O-CG1 3.48Å; T163-V166 PolarHBondContact O-N 3.04Å; T163-Q167 WeakPolarHBondContact O-CB 3.12Å; T163-Q167 VanDerWaalsContact O-CG 3.24Å; T163-Q167 WeakPolarHBondContact O-CG 3.46Å; T163-Q167 PolarHBondContact O-N 2.89Å |
| 164 | I | 95.5 | Very high | 92.3 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 177.5 | -64.6 | 169.7 | 0 | 0 | 0 | 110.5 | N159 D160 K162 V166 Q167 C168 | N159-I164 WeakPolarHBondContact O-CD1 3.37Å; D160-I164 WeakPolarHBondContact O-CG1 3.38Å; D160-I164 PolarHBondContact O-N 2.88Å; K162-I164 VanDerWaalsContact C-N 3.35Å; I164-V166 PolarHBondContact O-N 3.22Å; I164-Q167 PolarHBondContact O-N 3.29Å; I164-C168 PolarHBondContact O-N 2.94Å; I164-C168 PolarHBondContact O-SG 3.5Å |
| 165 | E | 94.1 | Very high | 90.9 | Very high | 85 Ų | 85 | 64 Ų | 64 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | -179.3 | -176.8 | -179.6 | -151 | 0 | 0 | 111.7 | K126 P161 K162 Q167 C168 I169 | K126-E165 VanDerWaalsContact CE-OE1 3.23Å; K126-E165 WeakPolarHBondContact CE-OE1 3.48Å; K126-E165 IonicContact NZ-OE1 2.93Å; K126-E165 PolarHBondContact NZ-OE1 2.78Å; K126-E165 IonicContact NZ-OE2 3.21Å; K126-E165 PolarHBondContact NZ-OE2 2.79Å; P161-E165 VanDerWaalsContact O-CB 3.27Å; P161-E165 WeakPolarHBondContact O-CB 3.46Å; P161-E165 PolarHBondContact O-N 3.45Å; K162-E165 PolarHBondContact O-N 2.89Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 2.88Å; E165-C168 WeakPolarHBondContact O-CB 3.35Å; E165-C168 PolarHBondContact O-N 3.32Å; E165-I169 HydrophobicContact CG-CD1 4.32Å; E165-I169 WeakPolarHBondContact O-CG1 3.5Å; E165-I169 PolarHBondContact O-N 3.14Å |
| 166 | V | 94.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.3 | -35 | -178.9 | 80 | 0 | 0 | 0 | 0 | 112.1 | I122 L145 A148 A149 Y152 K162 T163 I164 C168 I169 L170 | I122-V166 HydrophobicContact CD1-CB 4.46Å; I122-V166 HydrophobicContact CD1-CG2 3.49Å; I122-V166 VanDerWaalsContact CD1-CG2 3.49Å; I122-V166 HydrophobicContact CG1-CG2 4.38Å; L145-V166 HydrophobicContact CB-CG2 4.35Å; L145-V166 HydrophobicContact CD2-CG2 3.55Å; A148-V166 HydrophobicContact CB-CG2 4.33Å; A149-V166 HydrophobicContact CB-CG1 3.53Å; Y152-V166 HydrophobicContact CD2-CB 4.42Å; Y152-V166 HydrophobicContact CD2-CG1 3.96Å; K162-V166 PolarHBondContact O-N 3.26Å; T163-V166 WeakPolarHBondContact O-CG1 3.48Å; T163-V166 PolarHBondContact O-N 3.04Å; I164-V166 PolarHBondContact O-N 3.22Å; V166-C168 VanDerWaalsContact C-N 3.35Å; V166-I169 PolarHBondContact O-N 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.5Å; V166-L170 PolarHBondContact O-N 3.4Å |
| 167 | Q | 93.8 | Very high | 87.7 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 173.6 | -73.9 | 177 | -1 | 0 | 0 | 111.9 | E158 T163 I164 E165 L170 S171 | E158-Q167 PolarHBondContact OE2-NE2 3.23Å; T163-Q167 WeakPolarHBondContact O-CB 3.12Å; T163-Q167 VanDerWaalsContact O-CG 3.24Å; T163-Q167 WeakPolarHBondContact O-CG 3.46Å; T163-Q167 PolarHBondContact O-N 2.89Å; I164-Q167 PolarHBondContact O-N 3.29Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 2.88Å; Q167-L170 PolarHBondContact O-N 3.28Å; Q167-S171 WeakPolarHBondContact O-CB 3.35Å; Q167-S171 PolarHBondContact O-N 3.14Å; Q167-S171 PolarHBondContact O-OG 3.37Å |
| 168 | C | 91.2 | Very high | 86 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 53% | 0.534 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 172.6 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | I164 E165 V166 L170 S171 G172 | I164-C168 PolarHBondContact O-N 2.94Å; I164-C168 PolarHBondContact O-SG 3.5Å; E165-C168 WeakPolarHBondContact O-CB 3.35Å; E165-C168 PolarHBondContact O-N 3.32Å; V166-C168 VanDerWaalsContact C-N 3.35Å; C168-L170 PolarHBondContact O-N 2.93Å; C168-S171 PolarHBondContact O-N 3.29Å; C168-G172 PolarHBondContact O-N 2.98Å |
| 169 | I | 88.7 | Confident | 84.2 | Confident | 51 Ų | 51 | 67 Ų | 67 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.4 | -62.4 | 167.2 | 0 | 0 | 0 | 110.3 | L145 E165 V166 S171 G172 L173 | L145-I169 HydrophobicContact CD1-CG2 3.64Å; L145-I169 HydrophobicContact CD2-CB 4.44Å; L145-I169 HydrophobicContact CD2-CG2 3.98Å; E165-I169 HydrophobicContact CG-CD1 4.32Å; E165-I169 WeakPolarHBondContact O-CG1 3.5Å; E165-I169 PolarHBondContact O-N 3.14Å; V166-I169 PolarHBondContact O-N 3.24Å; I169-S171 VanDerWaalsContact C-N 3.33Å; I169-S171 PolarHBondContact O-N 3.02Å; I169-G172 PolarHBondContact O-N 3.1Å; I169-L173 HydrophobicContact CG2-CD1 4.4Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 2.86Å; I169-L173 VanDerWaalsContact O-N 3.14Å |
| 170 | L | 89.8 | Confident | 82.2 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 176.5 | -80.6 | 170.8 | 0 | 0 | 0 | 113.2 | K142 L145 E146 A149 V166 Q167 C168 L173 K174 | K142-L170 HydrophobicContact CG-CD2 4.25Å; L145-L170 HydrophobicContact CB-CD1 4.26Å; L145-L170 HydrophobicContact CB-CD2 3.36Å; L145-L170 HydrophobicContact CB-CG 3.7Å; L145-L170 HydrophobicContact CD1-CD2 4.03Å; L145-L170 HydrophobicContact CD1-CG 4.39Å; L145-L170 HydrophobicContact CG-CD2 4.35Å; E146-L170 HydrophobicContact CG-CD1 4.05Å; E146-L170 HydrophobicContact CG-CD2 3.77Å; A149-L170 HydrophobicContact CB-CD1 3.95Å; V166-L170 WeakPolarHBondContact O-CG 3.5Å; V166-L170 PolarHBondContact O-N 3.4Å; Q167-L170 PolarHBondContact O-N 3.28Å; C168-L170 PolarHBondContact O-N 2.93Å; L170-L173 PolarHBondContact O-N 3.11Å; L170-K174 WeakPolarHBondContact O-CG 3.46Å; L170-K174 PolarHBondContact O-N 3.37Å; L170-K174 VanDerWaalsContact O-N 3.11Å |
| 171 | S | 88.1 | Confident | 80.1 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 179.7 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | Q167 C168 I169 L173 K174 S175 | Q167-S171 WeakPolarHBondContact O-CB 3.35Å; Q167-S171 PolarHBondContact O-N 3.14Å; Q167-S171 PolarHBondContact O-OG 3.37Å; C168-S171 PolarHBondContact O-N 3.29Å; I169-S171 VanDerWaalsContact C-N 3.33Å; I169-S171 PolarHBondContact O-N 3.02Å; S171-L173 VanDerWaalsContact C-N 3.33Å; S171-L173 PolarHBondContact O-N 3.16Å; S171-K174 PolarHBondContact O-N 2.8Å; S171-S175 PolarHBondContact O-N 3.44Å; S171-S175 VanDerWaalsContact O-N 3.16Å; S171-S175 PolarHBondContact O-OG 3.34Å |
| 172 | G | 83.5 | Confident | 78 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C168 I169 S175 T176 | C168-G172 PolarHBondContact O-N 2.98Å; I169-G172 PolarHBondContact O-N 3.1Å; G172-S175 PolarHBondContact O-N 2.71Å; G172-S175 PolarHBondContact O-OG 3.43Å; G172-T176 PolarHBondContact O-N 3.35Å |
| 173 | L | 79.6 | Confident | 75.8 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.7 | -33.1 | 176.9 | -68.6 | 170.1 | 0 | 0 | 0 | 113.3 | L141 L145 I169 L170 S171 T176 D177 | L141-L173 HydrophobicContact CD2-CD1 3.74Å; L141-L173 HydrophobicContact CD2-CD2 4.08Å; L141-L173 HydrophobicContact CG-CD1 3.97Å; L145-L173 HydrophobicContact CD1-CD1 3.29Å; I169-L173 HydrophobicContact CG2-CD1 4.4Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 2.86Å; I169-L173 VanDerWaalsContact O-N 3.14Å; L170-L173 PolarHBondContact O-N 3.11Å; S171-L173 VanDerWaalsContact C-N 3.33Å; S171-L173 PolarHBondContact O-N 3.16Å; L173-T176 PolarHBondContact O-N 3.25Å; L173-T176 PolarHBondContact O-OG1 3.49Å; L173-D177 PolarHBondContact O-N 3.06Å |
| 174 | K | 73.3 | Confident | 73.7 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 175.8 | -73.6 | 174.8 | -177.4 | 175.2 | 0 | 111.7 | L170 S171 T176 N178 | L170-K174 WeakPolarHBondContact O-CG 3.46Å; L170-K174 PolarHBondContact O-N 3.37Å; L170-K174 VanDerWaalsContact O-N 3.11Å; S171-K174 PolarHBondContact O-N 2.8Å; K174-T176 VanDerWaalsContact C-N 3.34Å; K174-N178 PolarHBondContact O-N 3.42Å; K174-N178 PolarHBondContact O-ND2 3.07Å |
| 175 | S | 68.3 | Low | 71.4 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 176.3 | 44.7 | 0 | 0 | 0 | 0 | 112.9 | S171 G172 N179 | S171-S175 PolarHBondContact O-N 3.44Å; S171-S175 VanDerWaalsContact O-N 3.16Å; S171-S175 PolarHBondContact O-OG 3.34Å; G172-S175 PolarHBondContact O-N 2.71Å; G172-S175 PolarHBondContact O-OG 3.43Å; S175-N179 PolarHBondContact O-N 3.36Å |
| 176 | T | 64.1 | Low | 69 | Low | 75 Ų | 75 | 84 Ų | 84 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.4 | -43.9 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | G172 L173 K174 N178 N179 D180 | G172-T176 PolarHBondContact O-N 3.35Å; L173-T176 PolarHBondContact O-N 3.25Å; L173-T176 PolarHBondContact O-OG1 3.49Å; K174-T176 VanDerWaalsContact C-N 3.34Å; T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 3.25Å; T176-N179 PolarHBondContact O-N 3.32Å; T176-N179 VanDerWaalsContact O-N 3.1Å; T176-D180 PolarHBondContact O-N 3.25Å |
| 177 | D | 63.9 | Low | 67.8 | Low | 62 Ų | 62 | 88.1 Ų | 88.1 | 33% | 0.332 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -34 | 178.9 | -166.8 | 16.6 | 0 | 0 | 0 | 112.2 | L173 R181 | L173-D177 PolarHBondContact O-N 3.06Å; D177-R181 VanDerWaalsContact O-CG 3.31Å; D177-R181 WeakPolarHBondContact O-CG 3.41Å; D177-R181 PolarHBondContact O-N 3.1Å; D177-R181 IonicContact OD1-CZ 3.72Å; D177-R181 IonicContact OD1-NE 3.25Å; D177-R181 PolarHBondContact OD1-NE 3.32Å; D177-R181 IonicContact OD1-NH2 3.32Å; D177-R181 PolarHBondContact OD1-NH2 3.5Å; D177-R181 IonicContact OD2-CZ 3.87Å; D177-R181 IonicContact OD2-NH2 3.07Å; D177-R181 PolarHBondContact OD2-NH2 3.03Å; D177-R181 VanDerWaalsContact OD2-NH2 3.07Å |
| 178 | N | 59.4 | Low | 66.4 | Low | 111 Ų | 111 | 88.9 Ų | 88.9 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.6 | -35.6 | 174.2 | -76 | -22.1 | 0 | 0 | 0 | 112.9 | K174 T176 S182 | K174-N178 PolarHBondContact O-N 3.42Å; K174-N178 PolarHBondContact O-ND2 3.07Å; T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 3.25Å; N178-S182 PolarHBondContact O-N 3.23Å; N178-S182 PolarHBondContact O-OG 3.38Å |
| 179 | N | 58.3 | Low | 65 | Low | 91 Ų | 91 | 89.4 Ų | 89.4 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | -178.2 | -147.9 | 52.5 | 0 | 0 | 0 | 111.4 | S175 T176 R181 S182 E183 | S175-N179 PolarHBondContact O-N 3.36Å; T176-N179 PolarHBondContact O-N 3.32Å; T176-N179 VanDerWaalsContact O-N 3.1Å; N179-R181 VanDerWaalsContact C-N 3.28Å; N179-R181 PolarHBondContact O-N 3.23Å; N179-S182 WeakPolarHBondContact CA-OG 3.31Å; N179-S182 PolarHBondContact O-N 3.12Å; N179-S182 PolarHBondContact O-OG 3.17Å; N179-E183 PolarHBondContact O-N 2.76Å; N179-E183 VanDerWaalsContact O-N 3.12Å |
| 180 | D | 54.5 | Low | 63.6 | Low | 96 Ų | 96 | 91.7 Ų | 91.7 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -33.3 | 177.3 | -64.3 | -20.7 | 0 | 0 | 0 | 112.1 | T176 S184 | T176-D180 PolarHBondContact O-N 3.25Å; D180-S184 PolarHBondContact O-N 3.24Å; D180-S184 PolarHBondContact O-OG 3.43Å |
| 181 | R | 52.7 | Low | 62 | Low | 161 Ų | 161 | 96.6 Ų | 96.6 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.4 | -32.3 | 174.9 | -70.7 | 179 | -162.2 | -162.9 | 5.8 | 113.2 | D177 N179 | D177-R181 VanDerWaalsContact O-CG 3.31Å; D177-R181 WeakPolarHBondContact O-CG 3.41Å; D177-R181 PolarHBondContact O-N 3.1Å; D177-R181 IonicContact OD1-CZ 3.72Å; D177-R181 IonicContact OD1-NE 3.25Å; D177-R181 PolarHBondContact OD1-NE 3.32Å; D177-R181 IonicContact OD1-NH2 3.32Å; D177-R181 PolarHBondContact OD1-NH2 3.5Å; D177-R181 IonicContact OD2-CZ 3.87Å; D177-R181 IonicContact OD2-NH2 3.07Å; D177-R181 PolarHBondContact OD2-NH2 3.03Å; D177-R181 VanDerWaalsContact OD2-NH2 3.07Å; N179-R181 VanDerWaalsContact C-N 3.28Å; N179-R181 PolarHBondContact O-N 3.23Å |
| 182 | S | 52.8 | Low | 60.2 | Low | 63 Ų | 63 | 98.3 Ų | 98.3 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.9 | -33.7 | 175.6 | 44.8 | 0 | 0 | 0 | 0 | 113 | N178 N179 S184 A185 | N178-S182 PolarHBondContact O-N 3.23Å; N178-S182 PolarHBondContact O-OG 3.38Å; N179-S182 WeakPolarHBondContact CA-OG 3.31Å; N179-S182 PolarHBondContact O-N 3.12Å; N179-S182 PolarHBondContact O-OG 3.17Å; S182-S184 VanDerWaalsContact C-N 3.31Å; S182-S184 PolarHBondContact O-N 3.25Å; S182-A185 PolarHBondContact O-N 3.41Å |
| 183 | E | 49.6 | Very low | 58.6 | Low | 139 Ų | 139 | 102.7 Ų | 102.7 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.6 | -22.5 | 178.2 | -71.5 | -176.3 | 179.9 | 0 | 0 | 113 | N179 A185 | N179-E183 PolarHBondContact O-N 2.76Å; N179-E183 VanDerWaalsContact O-N 3.12Å; E183-A185 VanDerWaalsContact C-N 3.27Å; E183-A185 PolarHBondContact O-N 3.48Å |
| 184 | S | 51.6 | Low | 57 | Low | 105 Ų | 105 | 107.2 Ų | 107.2 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 1 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 114.3 | D180 S182 | D180-S184 PolarHBondContact O-N 3.24Å; D180-S184 PolarHBondContact O-OG 3.43Å; S182-S184 VanDerWaalsContact C-N 3.31Å; S182-S184 PolarHBondContact O-N 3.25Å |
| 185 | A | 48.2 | Very low | 55.6 | Low | 76 Ų | 76 | 107.8 Ų | 107.8 | 63% | 0.628 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 21.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S182 E183 | S182-A185 PolarHBondContact O-N 3.41Å; E183-A185 VanDerWaalsContact C-N 3.27Å; E183-A185 PolarHBondContact O-N 3.48Å |
| 186 | H | 44 | Very low | 54.5 | Low | 242 Ų | 242 | 111 Ų | 111 | 100% | 1.12 | 60% | 0.597 | S | S | * | * | trans | -118.8 | 0 | 172.9 | -74.7 | 19 | 0 | 0 | 0 | 110.5 |
Retrieved 186 of 186 residues in 121.4 ms
(Link to these results)