| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59.2 | Low | 87.8 | Confident | 133 Ų | 133 | 82.4 Ų | 82.4 | 66% | 0.655 | 43% | 0.428 | S | S | * | . | 0 | -52.9 | 0 | -65.2 | -166 | -69.8 | 0 | 0 | 111.1 | D3 R4 L5 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.92Å; M1-R4 PolarHBondContact O-N 3.19Å; M1-L5 PolarHBondContact O-N 3.4Å | |||
| 2 | S | 69.8 | Low | 88.5 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -54.6 | -44.9 | 179.6 | -160.7 | 0 | 0 | 0 | 0 | 113.5 | R4 L5 T6 | S2-R4 PolarHBondContact O-N 3.1Å; S2-L5 PolarHBondContact O-N 3.26Å; S2-T6 WeakPolarHBondContact O-CB 3.29Å; S2-T6 PolarHBondContact O-N 2.99Å; S2-T6 PolarHBondContact O-OG1 2.97Å |
| 3 | D | 87.6 | Confident | 89.1 | Confident | 103 Ų | 103 | 84.1 Ų | 84.1 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.5 | -47.2 | -174.5 | -177.1 | 51.7 | 0 | 0 | 0 | 113.8 | M1 T6 Q7 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.92Å; D3-T6 PolarHBondContact O-N 3.35Å; D3-Q7 WeakPolarHBondContact O-CB 3.3Å; D3-Q7 VanDerWaalsContact O-CG 3.28Å; D3-Q7 WeakPolarHBondContact O-CG 3.44Å; D3-Q7 PolarHBondContact O-N 3.4Å; D3-Q7 PolarHBondContact OD1-NE2 3.45Å; D3-Q7 PolarHBondContact OD2-NE2 3.07Å |
| 4 | R | 90.5 | Very high | 89.6 | Confident | 116 Ų | 116 | 84.3 Ų | 84.3 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 176.9 | -69.5 | -61.1 | -169.6 | -166.4 | 5 | 112.8 | M1 S2 Q7 L8 L64 | M1-R4 PolarHBondContact O-N 3.19Å; S2-R4 PolarHBondContact O-N 3.1Å; R4-Q7 PolarHBondContact O-N 3.31Å; R4-L8 WeakPolarHBondContact O-CB 3.48Å; R4-L8 PolarHBondContact O-N 3.21Å; R4-L64 HydrophobicContact CB-CD2 4.03Å |
| 5 | L | 89.8 | Confident | 90.1 | Very high | 91 Ų | 91 | 80.2 Ų | 80.2 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176.4 | -177.4 | 61.4 | 0 | 0 | 0 | 111.2 | M1 S2 L8 Q9 | M1-L5 PolarHBondContact O-N 3.4Å; S2-L5 PolarHBondContact O-N 3.26Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-Q9 WeakPolarHBondContact O-CG 3.47Å; L5-Q9 PolarHBondContact O-N 3.45Å |
| 6 | T | 92.8 | Very high | 90.5 | Very high | 57 Ų | 57 | 78 Ų | 78 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 174.2 | -62 | 0 | 0 | 0 | 0 | 110.9 | S2 D3 L8 Q9 D10 | S2-T6 WeakPolarHBondContact O-CB 3.29Å; S2-T6 PolarHBondContact O-N 2.99Å; S2-T6 PolarHBondContact O-OG1 2.97Å; D3-T6 PolarHBondContact O-N 3.35Å; T6-L8 VanDerWaalsContact C-N 3.29Å; T6-L8 PolarHBondContact O-N 3.44Å; T6-Q9 WeakPolarHBondContact O-CB 3.4Å; T6-Q9 PolarHBondContact O-N 3.24Å; T6-Q9 VanDerWaalsContact O-N 3.08Å; T6-D10 PolarHBondContact O-N 2.92Å |
| 7 | Q | 93.8 | Very high | 90.9 | Very high | 53 Ų | 53 | 76.8 Ų | 76.8 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 174.8 | -73.2 | 165.3 | 27.8 | 0 | 0 | 112.3 | D3 R4 Q9 D10 C11 L60 | D3-Q7 WeakPolarHBondContact O-CB 3.3Å; D3-Q7 VanDerWaalsContact O-CG 3.28Å; D3-Q7 WeakPolarHBondContact O-CG 3.44Å; D3-Q7 PolarHBondContact O-N 3.4Å; D3-Q7 PolarHBondContact OD1-NE2 3.45Å; D3-Q7 PolarHBondContact OD2-NE2 3.07Å; R4-Q7 PolarHBondContact O-N 3.31Å; Q7-Q9 VanDerWaalsContact C-N 3.33Å; Q7-Q9 PolarHBondContact O-N 2.96Å; Q7-D10 PolarHBondContact O-N 3.46Å; Q7-C11 PolarHBondContact O-N 2.89Å; Q7-C11 PolarHBondContact O-SG 3.27Å; Q7-L60 HydrophobicContact CB-CD1 4.1Å; Q7-L60 HydrophobicContact CB-CD2 4.05Å |
| 8 | L | 94.9 | Very high | 91.1 | Very high | 22 Ų | 22 | 74 Ų | 74 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176 | 179.9 | 61.9 | 0 | 0 | 0 | 111.3 | R4 L5 T6 C11 I12 I57 L60 V61 L64 | R4-L8 WeakPolarHBondContact O-CB 3.48Å; R4-L8 PolarHBondContact O-N 3.21Å; L5-L8 PolarHBondContact O-N 3.07Å; T6-L8 VanDerWaalsContact C-N 3.29Å; T6-L8 PolarHBondContact O-N 3.44Å; L8-C11 PolarHBondContact O-N 3.3Å; L8-I12 HydrophobicContact CD1-CD1 4.17Å; L8-I12 HydrophobicContact CD1-CG1 4.45Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 2.96Å; L8-I57 HydrophobicContact CD1-CG1 4.48Å; L8-I57 HydrophobicContact CD1-CG2 3.91Å; L8-L60 HydrophobicContact CD1-CB 4.29Å; L8-V61 HydrophobicContact CD1-CG2 4.14Å; L8-V61 HydrophobicContact CD2-CG2 4.43Å; L8-L64 HydrophobicContact CD2-CD1 4.29Å |
| 9 | Q | 94.7 | Very high | 91.3 | Very high | 117 Ų | 117 | 75.1 Ų | 75.1 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.6 | -73.5 | 179.1 | -12.9 | 0 | 0 | 112 | L5 T6 Q7 I12 N13 | L5-Q9 WeakPolarHBondContact O-CG 3.47Å; L5-Q9 PolarHBondContact O-N 3.45Å; T6-Q9 WeakPolarHBondContact O-CB 3.4Å; T6-Q9 PolarHBondContact O-N 3.24Å; T6-Q9 VanDerWaalsContact O-N 3.08Å; Q7-Q9 VanDerWaalsContact C-N 3.33Å; Q7-Q9 PolarHBondContact O-N 2.96Å; Q9-I12 PolarHBondContact O-N 3.33Å; Q9-N13 WeakPolarHBondContact O-CB 3.29Å; Q9-N13 PolarHBondContact O-N 3.1Å |
| 10 | D | 96.3 | Very high | 91.5 | Very high | 95 Ų | 95 | 75.6 Ų | 75.6 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 177.8 | -65.5 | -28.4 | 0 | 0 | 0 | 111.2 | T6 Q7 I12 N13 E14 | T6-D10 PolarHBondContact O-N 2.92Å; Q7-D10 PolarHBondContact O-N 3.46Å; D10-I12 PolarHBondContact O-N 2.96Å; D10-N13 PolarHBondContact O-N 2.96Å; D10-E14 PolarHBondContact O-N 3.32Å |
| 11 | C | 96 | Very high | 91.6 | Very high | 27 Ų | 27 | 76.3 Ų | 76.3 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 176.3 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | Q7 L8 E14 M15 T53 I57 L60 | Q7-C11 PolarHBondContact O-N 2.89Å; Q7-C11 PolarHBondContact O-SG 3.27Å; L8-C11 PolarHBondContact O-N 3.3Å; C11-E14 PolarHBondContact O-N 3.43Å; C11-M15 WeakPolarHBondContact O-CB 3.49Å; C11-M15 PolarHBondContact O-N 3.44Å; C11-T53 HydrophobicContact CB-CG2 4.41Å; C11-T53 VanDerWaalsContact O-CG2 3.26Å; C11-T53 WeakPolarHBondContact O-CG2 3.37Å; C11-I57 HydrophobicContact CB-CD1 4.4Å; C11-I57 HydrophobicContact CB-CG1 3.69Å; C11-L60 HydrophobicContact CB-CD1 4.25Å; C11-L60 VanDerWaalsContact SG-CD1 3.6Å |
| 12 | I | 96.6 | Very high | 93.1 | Very high | 91 Ų | 91 | 71 Ų | 71 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.9 | -70.7 | 167.3 | 0 | 0 | 0 | 110.7 | L8 Q9 D10 M15 A16 I57 | L8-I12 HydrophobicContact CD1-CD1 4.17Å; L8-I12 HydrophobicContact CD1-CG1 4.45Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 2.96Å; Q9-I12 PolarHBondContact O-N 3.33Å; D10-I12 PolarHBondContact O-N 2.96Å; I12-M15 WeakPolarHBondContact O-CB 3.25Å; I12-M15 PolarHBondContact O-N 2.99Å; I12-A16 PolarHBondContact O-N 3.32Å; I12-I57 HydrophobicContact CG1-CD1 4.21Å |
| 13 | N | 96.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 70.9 Ų | 70.9 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 176.9 | -170.2 | 70 | 0 | 0 | 0 | 111.6 | Q9 D10 M15 A16 N17 | Q9-N13 WeakPolarHBondContact O-CB 3.29Å; Q9-N13 PolarHBondContact O-N 3.1Å; D10-N13 PolarHBondContact O-N 2.96Å; N13-M15 VanDerWaalsContact C-N 3.34Å; N13-M15 PolarHBondContact O-N 2.9Å; N13-A16 WeakPolarHBondContact O-CB 3.45Å; N13-A16 PolarHBondContact O-N 3.09Å; N13-N17 PolarHBondContact ND2-ND2 3.13Å; N13-N17 VanDerWaalsContact O-CG 3.32Å; N13-N17 PolarHBondContact O-N 3.41Å; N13-N17 PolarHBondContact O-ND2 2.86Å |
| 14 | E | 96.5 | Very high | 94.2 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 41% | 0.407 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 174.4 | -76.8 | -57.8 | 104.6 | 0 | 0 | 112.5 | D10 C11 A16 N17 H18 T53 | D10-E14 PolarHBondContact O-N 3.32Å; C11-E14 PolarHBondContact O-N 3.43Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 2.92Å; E14-N17 WeakPolarHBondContact O-CB 3.39Å; E14-N17 PolarHBondContact O-N 3.47Å; E14-N17 PolarHBondContact OE1-ND2 2.94Å; E14-H18 PolarHBondContact O-CD2 2.99Å; E14-H18 PolarHBondContact O-N 3.46Å; E14-H18 IonicContact OE2-CE1 3.99Å; E14-T53 HydrophobicContact CB-CG2 4.42Å |
| 15 | M | 96.4 | Very high | 94.1 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 172.7 | -178.3 | 64.8 | 80.2 | 0 | 0 | 111.2 | C11 I12 N13 N17 H18 M19 V50 T53 A54 I57 | C11-M15 WeakPolarHBondContact O-CB 3.49Å; C11-M15 PolarHBondContact O-N 3.44Å; I12-M15 WeakPolarHBondContact O-CB 3.25Å; I12-M15 PolarHBondContact O-N 2.99Å; N13-M15 VanDerWaalsContact C-N 3.34Å; N13-M15 PolarHBondContact O-N 2.9Å; M15-N17 VanDerWaalsContact C-N 3.32Å; M15-N17 PolarHBondContact O-N 3Å; M15-H18 PolarHBondContact O-N 3.28Å; M15-M19 HydrophobicContact CG-CE 3.95Å; M15-M19 HydrophobicContact CG-SD 4.38Å; M15-M19 WeakPolarHBondContact O-CG 3.47Å; M15-M19 PolarHBondContact O-N 3.41Å; M15-M19 HydrophobicContact SD-CE 3.79Å; M15-V50 HydrophobicContact CE-CG1 4.45Å; M15-V50 WeakPolarHBondContact CE-O 3.4Å; M15-V50 HydrophobicContact SD-CB 4.27Å; M15-V50 HydrophobicContact SD-CG1 3.79Å; M15-V50 HydrophobicContact SD-CG2 4.29Å; M15-T53 HydrophobicContact CB-CG2 4.02Å; M15-T53 HydrophobicContact CE-CG2 4.06Å; M15-A54 VanDerWaalsContact CE-CA 3.43Å; M15-A54 HydrophobicContact CE-CB 3.64Å; M15-I57 HydrophobicContact CB-CD1 4.27Å; M15-I57 HydrophobicContact CE-CD1 3.99Å |
| 16 | A | 97.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I12 N13 E14 M19 C20 | I12-A16 PolarHBondContact O-N 3.32Å; N13-A16 WeakPolarHBondContact O-CB 3.45Å; N13-A16 PolarHBondContact O-N 3.09Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 2.92Å; A16-M19 PolarHBondContact O-N 3.24Å; A16-C20 WeakPolarHBondContact O-CB 3.4Å; A16-C20 PolarHBondContact O-N 2.92Å; A16-C20 PolarHBondContact O-SG 3.03Å; A16-C20 VanDerWaalsContact O-SG 3.34Å |
| 17 | N | 96.3 | Very high | 93.6 | Very high | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 175.1 | -71.2 | -27.8 | 0 | 0 | 0 | 111.8 | N13 E14 M15 M19 C20 N21 | N13-N17 PolarHBondContact ND2-ND2 3.13Å; N13-N17 VanDerWaalsContact O-CG 3.32Å; N13-N17 PolarHBondContact O-N 3.41Å; N13-N17 PolarHBondContact O-ND2 2.86Å; E14-N17 WeakPolarHBondContact O-CB 3.39Å; E14-N17 PolarHBondContact O-N 3.47Å; E14-N17 PolarHBondContact OE1-ND2 2.94Å; M15-N17 VanDerWaalsContact C-N 3.32Å; M15-N17 PolarHBondContact O-N 3Å; N17-M19 PolarHBondContact O-N 3.28Å; N17-C20 PolarHBondContact O-N 3.37Å; N17-N21 WeakPolarHBondContact O-CB 3.34Å; N17-N21 PolarHBondContact O-N 2.99Å; N17-N21 PolarHBondContact O-ND2 3.15Å; N17-N21 VanDerWaalsContact O-ND2 3.17Å |
| 18 | H | 94.9 | Very high | 93.1 | Very high | 26 Ų | 26 | 70.7 Ų | 70.7 | 12% | 0.12 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.1 | -66.6 | -22.5 | 0 | 0 | 0 | 111.9 | E14 M15 S22 V50 T53 | E14-H18 PolarHBondContact O-CD2 2.99Å; E14-H18 PolarHBondContact O-N 3.46Å; E14-H18 IonicContact OE2-CE1 3.99Å; M15-H18 PolarHBondContact O-N 3.28Å; H18-S22 WeakPolarHBondContact O-CB 3.37Å; H18-S22 PolarHBondContact O-N 3.16Å; H18-S22 PolarHBondContact O-OG 2.87Å; H18-V50 HydrophobicContact CB-CG2 3.87Å; H18-T53 PolarHBondContact CD2-OG1 2.93Å; H18-T53 PolarHBondContact NE2-OG1 3.4Å |
| 19 | M | 94.7 | Very high | 92 | Very high | 94 Ų | 94 | 71.5 Ų | 71.5 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -50.8 | 177.6 | -71.4 | -178.5 | 176.5 | 0 | 0 | 111.5 | M15 A16 N17 N21 S22 I23 V50 | M15-M19 HydrophobicContact CG-CE 3.95Å; M15-M19 HydrophobicContact CG-SD 4.38Å; M15-M19 WeakPolarHBondContact O-CG 3.47Å; M15-M19 PolarHBondContact O-N 3.41Å; M15-M19 HydrophobicContact SD-CE 3.79Å; A16-M19 PolarHBondContact O-N 3.24Å; N17-M19 PolarHBondContact O-N 3.28Å; M19-N21 PolarHBondContact O-N 3.13Å; M19-S22 PolarHBondContact O-N 3.29Å; M19-S22 PolarHBondContact O-OG 3.09Å; M19-I23 WeakPolarHBondContact O-CG1 3.05Å; M19-I23 PolarHBondContact O-N 3.34Å; M19-I23 VanDerWaalsContact O-N 3.11Å; M19-V50 HydrophobicContact CE-CG1 4.34Å; M19-V50 HydrophobicContact CG-CG2 4.44Å |
| 20 | C | 95.1 | Very high | 90.7 | Very high | 85 Ų | 85 | 69.6 Ų | 69.6 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 179 | -72.6 | 0 | 0 | 0 | 0 | 112.5 | A16 N17 I23 G24 | A16-C20 WeakPolarHBondContact O-CB 3.4Å; A16-C20 PolarHBondContact O-N 2.92Å; A16-C20 PolarHBondContact O-SG 3.03Å; A16-C20 VanDerWaalsContact O-SG 3.34Å; N17-C20 PolarHBondContact O-N 3.37Å; C20-I23 PolarHBondContact O-N 3.45Å; C20-G24 PolarHBondContact O-N 2.92Å |
| 21 | N | 93.1 | Very high | 89 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 179.2 | -69 | -22.3 | 0 | 0 | 0 | 111.5 | N17 M19 I23 G24 V25 F46 | N17-N21 WeakPolarHBondContact O-CB 3.34Å; N17-N21 PolarHBondContact O-N 2.99Å; N17-N21 PolarHBondContact O-ND2 3.15Å; N17-N21 VanDerWaalsContact O-ND2 3.17Å; M19-N21 PolarHBondContact O-N 3.13Å; N21-I23 PolarHBondContact O-N 3.43Å; N21-G24 PolarHBondContact O-N 3.41Å; N21-V25 WeakPolarHBondContact O-CG2 3.38Å; N21-V25 PolarHBondContact O-N 3.36Å; N21-F46 HydrophobicContact CB-CE1 3.85Å; N21-F46 HydrophobicContact CB-CZ 4.13Å |
| 22 | S | 92.5 | Very high | 87.2 | Confident | 20 Ų | 20 | 76.2 Ų | 76.2 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 176.5 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | H18 M19 G24 V25 L26 | H18-S22 WeakPolarHBondContact O-CB 3.37Å; H18-S22 PolarHBondContact O-N 3.16Å; H18-S22 PolarHBondContact O-OG 2.87Å; M19-S22 PolarHBondContact O-N 3.29Å; M19-S22 PolarHBondContact O-OG 3.09Å; S22-G24 PolarHBondContact O-N 2.99Å; S22-V25 PolarHBondContact O-N 2.87Å; S22-L26 VanDerWaalsContact O-CB 3.29Å; S22-L26 WeakPolarHBondContact O-CB 3.37Å; S22-L26 WeakPolarHBondContact O-CD1 3.36Å; S22-L26 WeakPolarHBondContact O-CG 3.27Å; S22-L26 PolarHBondContact O-N 3.22Å |
| 23 | I | 91 | Very high | 84.9 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 46% | 0.462 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 177.2 | -66.8 | 166.6 | 0 | 0 | 0 | 110 | M19 C20 N21 V25 L26 Q27 | M19-I23 WeakPolarHBondContact O-CG1 3.05Å; M19-I23 PolarHBondContact O-N 3.34Å; M19-I23 VanDerWaalsContact O-N 3.11Å; C20-I23 PolarHBondContact O-N 3.45Å; N21-I23 PolarHBondContact O-N 3.43Å; I23-V25 PolarHBondContact O-N 2.86Å; I23-L26 PolarHBondContact O-N 3.13Å; I23-Q27 HydrophobicContact CG2-CG 4.29Å; I23-Q27 WeakPolarHBondContact O-CB 3.33Å; I23-Q27 VanDerWaalsContact O-CG 3.23Å; I23-Q27 WeakPolarHBondContact O-CG 3.29Å; I23-Q27 PolarHBondContact O-N 2.86Å |
| 24 | G | 89.3 | Confident | 82.9 | Confident | 25 Ų | 25 | 81.9 Ų | 81.9 | 26% | 0.258 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C20 N21 S22 Q28 | C20-G24 PolarHBondContact O-N 2.92Å; N21-G24 PolarHBondContact O-N 3.41Å; S22-G24 PolarHBondContact O-N 2.99Å; G24-Q28 VanDerWaalsContact O-CG 3.27Å; G24-Q28 WeakPolarHBondContact O-CG 3.5Å; G24-Q28 PolarHBondContact O-N 3.34Å |
| 25 | V | 87.8 | Confident | 80.7 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 24% | 0.236 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.6 | -42.3 | -179.6 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | N21 S22 I23 Q28 S29 N42 F46 | N21-V25 WeakPolarHBondContact O-CG2 3.38Å; N21-V25 PolarHBondContact O-N 3.36Å; S22-V25 PolarHBondContact O-N 2.87Å; I23-V25 PolarHBondContact O-N 2.86Å; V25-Q28 PolarHBondContact O-N 3.49Å; V25-S29 WeakPolarHBondContact O-CB 3.41Å; V25-S29 PolarHBondContact O-N 2.77Å; V25-S29 PolarHBondContact O-OG 3.49Å; V25-N42 HydrophobicContact CG1-CB 4.1Å; V25-F46 HydrophobicContact CB-CE2 3.81Å; V25-F46 HydrophobicContact CB-CZ 4.31Å; V25-F46 HydrophobicContact CG1-CE2 4.04Å; V25-F46 HydrophobicContact CG2-CE2 3.91Å; V25-F46 HydrophobicContact CG2-CZ 3.93Å |
| 26 | L | 85.7 | Confident | 78.7 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 37% | 0.366 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 179.1 | -68.1 | 172.1 | 0 | 0 | 0 | 111.5 | S22 I23 S29 S30 A43 | S22-L26 VanDerWaalsContact O-CB 3.29Å; S22-L26 WeakPolarHBondContact O-CB 3.37Å; S22-L26 WeakPolarHBondContact O-CD1 3.36Å; S22-L26 WeakPolarHBondContact O-CG 3.27Å; S22-L26 PolarHBondContact O-N 3.22Å; I23-L26 PolarHBondContact O-N 3.13Å; L26-S29 PolarHBondContact O-N 3.02Å; L26-S30 WeakPolarHBondContact O-CB 3.46Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 2.98Å; L26-A43 HydrophobicContact CD2-CB 4.07Å |
| 27 | Q | 86 | Confident | 76.9 | Confident | 131 Ų | 131 | 89 Ų | 89 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.7 | -35.9 | 175.4 | -74.9 | 178.2 | -8.1 | 0 | 0 | 113.3 | I23 S29 S30 | I23-Q27 HydrophobicContact CG2-CG 4.29Å; I23-Q27 WeakPolarHBondContact O-CB 3.33Å; I23-Q27 VanDerWaalsContact O-CG 3.23Å; I23-Q27 WeakPolarHBondContact O-CG 3.29Å; I23-Q27 PolarHBondContact O-N 2.86Å; Q27-S29 VanDerWaalsContact C-N 3.3Å; Q27-S30 WeakPolarHBondContact CA-OG 3.43Å; Q27-S30 PolarHBondContact O-OG 2.99Å |
| 28 | Q | 82.4 | Confident | 75.2 | Confident | 151 Ų | 151 | 87.9 Ų | 87.9 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.3 | -32.1 | 175.2 | -74.3 | 174.4 | 6 | 0 | 0 | 112.3 | G24 V25 | G24-Q28 VanDerWaalsContact O-CG 3.27Å; G24-Q28 WeakPolarHBondContact O-CG 3.5Å; G24-Q28 PolarHBondContact O-N 3.34Å; V25-Q28 PolarHBondContact O-N 3.49Å |
| 29 | S | 72.4 | Confident | 73.6 | Confident | 40 Ų | 40 | 89.2 Ų | 89.2 | 28% | 0.28 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81.3 | -25.3 | -179.3 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | V25 L26 Q27 L31 E39 | V25-S29 WeakPolarHBondContact O-CB 3.41Å; V25-S29 PolarHBondContact O-N 2.77Å; V25-S29 PolarHBondContact O-OG 3.49Å; L26-S29 PolarHBondContact O-N 3.02Å; Q27-S29 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.25Å; S29-E39 WeakPolarHBondContact CB-OE1 3.27Å |
| 30 | S | 67 | Low | 72.3 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 53% | 0.531 | 53% | 0.534 | S | S | . | . | trans | -71.5 | 61.8 | 178.2 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | L26 Q27 | L26-S30 WeakPolarHBondContact O-CB 3.46Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 2.98Å; Q27-S30 WeakPolarHBondContact CA-OG 3.43Å; Q27-S30 PolarHBondContact O-OG 2.99Å | ||
| 31 | L | 61.1 | Low | 71.7 | Confident | 136 Ų | 136 | 93.8 Ų | 93.8 | 71% | 0.712 | 54% | 0.537 | S | S | * | . | trans | -81.6 | 136.6 | 157 | -92.1 | 92.3 | 0 | 0 | 0 | 108.9 | S29 C33 | S29-L31 PolarHBondContact O-N 3.25Å; L31-C33 PolarHBondContact O-N 3.31Å; L31-C33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | P | 57.9 | Low | 71.4 | Confident | 125 Ų | 125 | 92 Ų | 92 | 81% | 0.812 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 118.7 | 175.2 | 27.6 | -29.3 | 0 | 0 | 0 | 107.8 | ||
| 33 | C | 49.9 | Very low | 71.2 | Confident | 126 Ų | 126 | 93 Ų | 93 | 85% | 0.851 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122 | 13.4 | 157.4 | -146.7 | 0 | 0 | 0 | 0 | 118.5 | L31 | L31-C33 PolarHBondContact O-N 3.31Å; L31-C33 VanDerWaalsContact O-N 3.11Å |
| 34 | K | 53.2 | Low | 71.2 | Confident | 180 Ų | 180 | 91.6 Ų | 91.6 | 78% | 0.783 | 54% | 0.539 | S | S | * | . | trans | -140 | 119.5 | 162.6 | -69 | -177.5 | -179.3 | 174.4 | 0 | 111 | A36 | K34-A36 PolarHBondContact O-N 2.89Š| ||
| 35 | V | 50.8 | Low | 71.3 | Confident | 146 Ų | 146 | 94.5 Ų | 94.5 | 89% | 0.885 | 55% | 0.548 | S | S | * | . | trans | -59.2 | 82.2 | 158.4 | -105.5 | 0 | 0 | 0 | 0 | 107.1 | S37 | V35-S37 PolarHBondContact O-N 2.87Š| ||
| 36 | A | 54.8 | Low | 71.6 | Confident | 49 Ų | 49 | 94 Ų | 94 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | trans | -77.2 | 112.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 106 | K34 G38 E39 | K34-A36 PolarHBondContact O-N 2.89Å; A36-G38 PolarHBondContact O-N 3.47Å; A36-E39 HydrophobicContact CB-CG 4.33Å; A36-E39 WeakPolarHBondContact O-CB 3.41Å; A36-E39 PolarHBondContact O-N 3.32Å | ||
| 37 | S | 58.2 | Low | 72.1 | Confident | 109 Ų | 109 | 93.5 Ų | 93.5 | 76% | 0.762 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -50.9 | -21.7 | 177.9 | 43.6 | 0 | 0 | 0 | 0 | 113.9 | V35 | V35-S37 PolarHBondContact O-N 2.87Å |
| 38 | G | 61.3 | Low | 72.5 | Confident | 35 Ų | 35 | 90.4 Ų | 90.4 | 36% | 0.361 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.5 | -20.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A36 D41 N42 | A36-G38 PolarHBondContact O-N 3.47Å; G38-D41 PolarHBondContact O-N 2.95Å; G38-N42 PolarHBondContact O-N 3.39Å; G38-N42 VanDerWaalsContact O-N 3.08Å; G38-N42 PolarHBondContact O-ND2 3.37Å |
| 39 | E | 60.9 | Low | 73.2 | Confident | 54 Ų | 54 | 85.8 Ų | 85.8 | 25% | 0.252 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 176.8 | -72 | -176.7 | 146 | 0 | 0 | 111.8 | S29 A36 D41 A43 | S29-E39 WeakPolarHBondContact CB-OE1 3.27Å; A36-E39 HydrophobicContact CB-CG 4.33Å; A36-E39 WeakPolarHBondContact O-CB 3.41Å; A36-E39 PolarHBondContact O-N 3.32Å; E39-D41 VanDerWaalsContact C-N 3.33Å; E39-A43 VanDerWaalsContact O-CB 3.23Å; E39-A43 WeakPolarHBondContact O-CB 3.39Å; E39-A43 PolarHBondContact O-N 3.26Å |
| 40 | Q | 67.8 | Low | 74.3 | Confident | 158 Ų | 158 | 85.6 Ų | 85.6 | 74% | 0.738 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -37 | 178 | -72.5 | -174.5 | -5.1 | 0 | 0 | 111.6 | A44 | Q40-A44 WeakPolarHBondContact O-CB 3.46Å; Q40-A44 PolarHBondContact O-N 3.18Å |
| 41 | D | 83.3 | Confident | 75.7 | Confident | 117 Ų | 117 | 85 Ų | 85 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.2 | -46.4 | 178.9 | -162.2 | 18.1 | 0 | 0 | 0 | 111.1 | G38 E39 A44 L45 | G38-D41 PolarHBondContact O-N 2.95Å; E39-D41 VanDerWaalsContact C-N 3.33Å; D41-A44 PolarHBondContact O-N 2.86Å; D41-L45 VanDerWaalsContact O-CB 3.25Å; D41-L45 WeakPolarHBondContact O-CB 3.4Å; D41-L45 PolarHBondContact O-N 2.9Å |
| 42 | N | 86.1 | Confident | 77.4 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.1 | -73.5 | -26.9 | 0 | 0 | 0 | 112.3 | V25 G38 L45 F46 | V25-N42 HydrophobicContact CG1-CB 4.1Å; G38-N42 PolarHBondContact O-N 3.39Å; G38-N42 VanDerWaalsContact O-N 3.08Å; G38-N42 PolarHBondContact O-ND2 3.37Å; N42-L45 PolarHBondContact O-N 3.03Å; N42-F46 WeakPolarHBondContact O-CD2 3.36Å; N42-F46 PolarHBondContact O-N 3.33Å |
| 43 | A | 88.3 | Confident | 79.3 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 33% | 0.331 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L26 E39 A47 | L26-A43 HydrophobicContact CD2-CB 4.07Å; E39-A43 VanDerWaalsContact O-CB 3.23Å; E39-A43 WeakPolarHBondContact O-CB 3.39Å; E39-A43 PolarHBondContact O-N 3.26Å; A43-A47 VanDerWaalsContact O-CB 3.26Å; A43-A47 WeakPolarHBondContact O-CB 3.41Å; A43-A47 PolarHBondContact O-N 3Å |
| 44 | A | 91.1 | Very high | 81.5 | Confident | 61 Ų | 61 | 77.1 Ų | 77.1 | 50% | 0.504 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q40 D41 A47 S48 | Q40-A44 WeakPolarHBondContact O-CB 3.46Å; Q40-A44 PolarHBondContact O-N 3.18Å; D41-A44 PolarHBondContact O-N 2.86Å; A44-A47 PolarHBondContact O-N 3.37Å; A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 3.4Å |
| 45 | L | 91.9 | Very high | 83.6 | Confident | 85 Ų | 85 | 75 Ų | 75 | 45% | 0.445 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.4 | -53.7 | 175.7 | 178.1 | 62.7 | 0 | 0 | 0 | 111.1 | D41 N42 A47 S48 L49 | D41-L45 VanDerWaalsContact O-CB 3.25Å; D41-L45 WeakPolarHBondContact O-CB 3.4Å; D41-L45 PolarHBondContact O-N 2.9Å; N42-L45 PolarHBondContact O-N 3.03Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3Å; L45-S48 WeakPolarHBondContact O-CB 3.42Å; L45-S48 PolarHBondContact O-N 3.45Å; L45-S48 VanDerWaalsContact O-N 3.12Å; L45-S48 PolarHBondContact O-OG 3.37Å; L45-L49 HydrophobicContact CD1-CD1 4.43Å; L45-L49 HydrophobicContact CD1-CG 4.47Å; L45-L49 HydrophobicContact CG-CD1 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.96Å |
| 46 | F | 94.1 | Very high | 85.8 | Confident | 29 Ų | 29 | 70.9 Ų | 70.9 | 13% | 0.127 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.6 | -39 | 178.6 | -76.9 | -65.3 | 0 | 0 | 0 | 112.2 | N21 V25 N42 S48 L49 V50 | N21-F46 HydrophobicContact CB-CE1 3.85Å; N21-F46 HydrophobicContact CB-CZ 4.13Å; V25-F46 HydrophobicContact CB-CE2 3.81Å; V25-F46 HydrophobicContact CB-CZ 4.31Å; V25-F46 HydrophobicContact CG1-CE2 4.04Å; V25-F46 HydrophobicContact CG2-CE2 3.91Å; V25-F46 HydrophobicContact CG2-CZ 3.93Å; N42-F46 WeakPolarHBondContact O-CD2 3.36Å; N42-F46 PolarHBondContact O-N 3.33Å; F46-S48 VanDerWaalsContact C-N 3.31Å; F46-S48 PolarHBondContact O-N 2.86Å; F46-L49 HydrophobicContact CD1-CD1 4.41Å; F46-L49 PolarHBondContact O-N 2.86Å; F46-V50 WeakPolarHBondContact O-CB 3.41Å; F46-V50 VanDerWaalsContact O-CG2 3.32Å; F46-V50 WeakPolarHBondContact O-CG2 3.45Å; F46-V50 PolarHBondContact O-N 3.44Å |
| 47 | A | 94.4 | Very high | 87.8 | Confident | 59 Ų | 59 | 70 Ų | 70 | 49% | 0.488 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A43 A44 L45 A51 | A43-A47 VanDerWaalsContact O-CB 3.26Å; A43-A47 WeakPolarHBondContact O-CB 3.41Å; A43-A47 PolarHBondContact O-N 3Å; A44-A47 PolarHBondContact O-N 3.37Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3Å; A47-A51 VanDerWaalsContact O-CB 3.25Å; A47-A51 WeakPolarHBondContact O-CB 3.42Å; A47-A51 PolarHBondContact O-N 3.39Å |
| 48 | S | 95.5 | Very high | 89.6 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 176.3 | 80.3 | 0 | 0 | 0 | 0 | 112.6 | A44 L45 F46 R52 | A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 3.4Å; L45-S48 WeakPolarHBondContact O-CB 3.42Å; L45-S48 PolarHBondContact O-N 3.45Å; L45-S48 VanDerWaalsContact O-N 3.12Å; L45-S48 PolarHBondContact O-OG 3.37Å; F46-S48 VanDerWaalsContact C-N 3.31Å; F46-S48 PolarHBondContact O-N 2.86Å; S48-R52 VanDerWaalsContact O-CB 3.28Å; S48-R52 WeakPolarHBondContact O-CB 3.45Å; S48-R52 PolarHBondContact O-N 3.37Å |
| 49 | L | 96 | Very high | 91.2 | Very high | 54 Ų | 54 | 72.2 Ų | 72.2 | 28% | 0.283 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.8 | -48.1 | 178 | -70.2 | 173.8 | 0 | 0 | 0 | 111 | L45 F46 A51 R52 T53 | L45-L49 HydrophobicContact CD1-CD1 4.43Å; L45-L49 HydrophobicContact CD1-CG 4.47Å; L45-L49 HydrophobicContact CG-CD1 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.96Å; F46-L49 HydrophobicContact CD1-CD1 4.41Å; F46-L49 PolarHBondContact O-N 2.86Å; L49-A51 PolarHBondContact O-N 3.47Å; L49-R52 PolarHBondContact O-N 2.9Å; L49-T53 WeakPolarHBondContact O-CB 3.09Å; L49-T53 PolarHBondContact O-N 2.87Å; L49-T53 PolarHBondContact O-OG1 2.98Å |
| 50 | V | 96.4 | Very high | 92.7 | Very high | 37 Ų | 37 | 70.5 Ų | 70.5 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 175.4 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | M15 H18 M19 F46 R52 T53 A54 | M15-V50 HydrophobicContact CE-CG1 4.45Å; M15-V50 WeakPolarHBondContact CE-O 3.4Å; M15-V50 HydrophobicContact SD-CB 4.27Å; M15-V50 HydrophobicContact SD-CG1 3.79Å; M15-V50 HydrophobicContact SD-CG2 4.29Å; H18-V50 HydrophobicContact CB-CG2 3.87Å; M19-V50 HydrophobicContact CE-CG1 4.34Å; M19-V50 HydrophobicContact CG-CG2 4.44Å; F46-V50 WeakPolarHBondContact O-CB 3.41Å; F46-V50 VanDerWaalsContact O-CG2 3.32Å; F46-V50 WeakPolarHBondContact O-CG2 3.45Å; F46-V50 PolarHBondContact O-N 3.44Å; V50-R52 VanDerWaalsContact C-N 3.32Å; V50-R52 PolarHBondContact O-N 3.31Å; V50-T53 PolarHBondContact O-N 3.48Å; V50-A54 VanDerWaalsContact O-CB 3.29Å; V50-A54 WeakPolarHBondContact O-CB 3.32Å; V50-A54 PolarHBondContact O-N 3.2Å |
| 51 | A | 96.9 | Very high | 93.9 | Very high | 64 Ų | 64 | 66.5 Ų | 66.5 | 53% | 0.529 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A47 L49 K55 | A47-A51 VanDerWaalsContact O-CB 3.25Å; A47-A51 WeakPolarHBondContact O-CB 3.42Å; A47-A51 PolarHBondContact O-N 3.39Å; L49-A51 PolarHBondContact O-N 3.47Å; A51-K55 PolarHBondContact O-N 2.89Å; A51-K55 VanDerWaalsContact O-N 3.14Å |
| 52 | R | 96.8 | Very high | 94.4 | Very high | 174 Ų | 174 | 68.4 Ų | 68.4 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66 | -51.8 | 175.9 | -178.6 | 178.7 | 178.7 | 170.2 | 0.5 | 111.5 | S48 L49 V50 A54 K55 D56 | S48-R52 VanDerWaalsContact O-CB 3.28Å; S48-R52 WeakPolarHBondContact O-CB 3.45Å; S48-R52 PolarHBondContact O-N 3.37Å; L49-R52 PolarHBondContact O-N 2.9Å; V50-R52 VanDerWaalsContact C-N 3.32Å; V50-R52 PolarHBondContact O-N 3.31Å; R52-A54 PolarHBondContact O-N 3.27Å; R52-K55 WeakPolarHBondContact O-CB 3.48Å; R52-K55 PolarHBondContact O-N 3.48Å; R52-K55 VanDerWaalsContact O-N 3.11Å; R52-D56 PolarHBondContact O-N 3.33Å |
| 53 | T | 96.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 68.1 Ų | 68.1 | 8% | 0.08 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.6 | -34 | -179.9 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | C11 E14 M15 H18 L49 V50 D56 I57 | C11-T53 HydrophobicContact CB-CG2 4.41Å; C11-T53 VanDerWaalsContact O-CG2 3.26Å; C11-T53 WeakPolarHBondContact O-CG2 3.37Å; E14-T53 HydrophobicContact CB-CG2 4.42Å; M15-T53 HydrophobicContact CB-CG2 4.02Å; M15-T53 HydrophobicContact CE-CG2 4.06Å; H18-T53 PolarHBondContact CD2-OG1 2.93Å; H18-T53 PolarHBondContact NE2-OG1 3.4Å; L49-T53 WeakPolarHBondContact O-CB 3.09Å; L49-T53 PolarHBondContact O-N 2.87Å; L49-T53 PolarHBondContact O-OG1 2.98Å; V50-T53 PolarHBondContact O-N 3.48Å; T53-D56 PolarHBondContact O-N 2.94Å; T53-I57 HydrophobicContact CG2-CD1 4.4Å; T53-I57 VanDerWaalsContact O-CG1 3.29Å; T53-I57 WeakPolarHBondContact O-CG1 3.43Å; T53-I57 PolarHBondContact O-N 2.89Å |
| 54 | A | 97.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 69 Ų | 69 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M15 V50 R52 D56 I57 D58 | M15-A54 VanDerWaalsContact CE-CA 3.43Å; M15-A54 HydrophobicContact CE-CB 3.64Å; V50-A54 VanDerWaalsContact O-CB 3.29Å; V50-A54 WeakPolarHBondContact O-CB 3.32Å; V50-A54 PolarHBondContact O-N 3.2Å; R52-A54 PolarHBondContact O-N 3.27Å; A54-D56 VanDerWaalsContact C-N 3.32Å; A54-D56 PolarHBondContact O-N 3.19Å; A54-I57 WeakPolarHBondContact O-CB 3.5Å; A54-I57 PolarHBondContact O-N 2.85Å; A54-D58 PolarHBondContact O-N 2.93Å |
| 55 | K | 97 | Very high | 94.4 | Very high | 135 Ų | 135 | 70 Ų | 70 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | 176.2 | -176.5 | 174.1 | -178 | 174 | 0 | 112.2 | A51 R52 I57 D58 L59 | A51-K55 PolarHBondContact O-N 2.89Å; A51-K55 VanDerWaalsContact O-N 3.14Å; R52-K55 WeakPolarHBondContact O-CB 3.48Å; R52-K55 PolarHBondContact O-N 3.48Å; R52-K55 VanDerWaalsContact O-N 3.11Å; K55-I57 VanDerWaalsContact C-N 3.31Å; K55-D58 PolarHBondContact O-N 3.21Å; K55-L59 HydrophobicContact CG-CD1 4.47Å; K55-L59 WeakPolarHBondContact O-CG 3.41Å; K55-L59 PolarHBondContact O-N 3.44Å |
| 56 | D | 96.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 33% | 0.326 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.6 | -67 | -22 | 0 | 0 | 0 | 110.9 | R52 T53 A54 L60 | R52-D56 PolarHBondContact O-N 3.33Å; T53-D56 PolarHBondContact O-N 2.94Å; A54-D56 VanDerWaalsContact C-N 3.32Å; A54-D56 PolarHBondContact O-N 3.19Å; D56-L60 WeakPolarHBondContact O-CB 3.41Å; D56-L60 VanDerWaalsContact O-CG 3.28Å; D56-L60 WeakPolarHBondContact O-CG 3.34Å; D56-L60 PolarHBondContact O-N 2.93Å |
| 57 | I | 96.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 80.7 Ų | 80.7 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 171.8 | -70.5 | 166.2 | 0 | 0 | 0 | 110.9 | L8 C11 I12 M15 T53 A54 K55 L59 L60 V61 | L8-I57 HydrophobicContact CD1-CG1 4.48Å; L8-I57 HydrophobicContact CD1-CG2 3.91Å; C11-I57 HydrophobicContact CB-CD1 4.4Å; C11-I57 HydrophobicContact CB-CG1 3.69Å; I12-I57 HydrophobicContact CG1-CD1 4.21Å; M15-I57 HydrophobicContact CB-CD1 4.27Å; M15-I57 HydrophobicContact CE-CD1 3.99Å; T53-I57 HydrophobicContact CG2-CD1 4.4Å; T53-I57 VanDerWaalsContact O-CG1 3.29Å; T53-I57 WeakPolarHBondContact O-CG1 3.43Å; T53-I57 PolarHBondContact O-N 2.89Å; A54-I57 WeakPolarHBondContact O-CB 3.5Å; A54-I57 PolarHBondContact O-N 2.85Å; K55-I57 VanDerWaalsContact C-N 3.31Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 3.04Å; I57-L60 PolarHBondContact O-N 3Å; I57-L60 VanDerWaalsContact O-N 3.14Å; I57-V61 HydrophobicContact CG2-CG2 4.32Å; I57-V61 WeakPolarHBondContact O-CG2 3.37Å; I57-V61 PolarHBondContact O-N 3.43Å |
| 58 | D | 96.2 | Very high | 92 | Very high | 100 Ų | 100 | 84.2 Ų | 84.2 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 179.7 | -71.3 | -28.4 | 0 | 0 | 0 | 111.3 | A54 K55 L60 V61 E62 | A54-D58 PolarHBondContact O-N 2.93Å; K55-D58 PolarHBondContact O-N 3.21Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.41Å; D58-V61 PolarHBondContact O-N 3.45Å; D58-E62 WeakPolarHBondContact O-CG 3.45Å; D58-E62 PolarHBondContact O-N 3.02Å |
| 59 | L | 94.6 | Very high | 91.2 | Very high | 90 Ų | 90 | 84 Ų | 84 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 176.7 | -70.6 | 174.6 | 0 | 0 | 0 | 112.6 | K55 I57 S63 | K55-L59 HydrophobicContact CG-CD1 4.47Å; K55-L59 WeakPolarHBondContact O-CG 3.41Å; K55-L59 PolarHBondContact O-N 3.44Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 3.04Å; L59-S63 WeakPolarHBondContact O-CB 3.33Å; L59-S63 PolarHBondContact O-N 3.38Å; L59-S63 VanDerWaalsContact O-N 3.1Å |
| 60 | L | 94.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 85.3 Ų | 85.3 | 9% | 0.094 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.5 | -76.7 | 171.3 | 0 | 0 | 0 | 111.3 | Q7 L8 C11 D56 I57 D58 S63 L64 | Q7-L60 HydrophobicContact CB-CD1 4.1Å; Q7-L60 HydrophobicContact CB-CD2 4.05Å; L8-L60 HydrophobicContact CD1-CB 4.29Å; C11-L60 HydrophobicContact CB-CD1 4.25Å; C11-L60 VanDerWaalsContact SG-CD1 3.6Å; D56-L60 WeakPolarHBondContact O-CB 3.41Å; D56-L60 VanDerWaalsContact O-CG 3.28Å; D56-L60 WeakPolarHBondContact O-CG 3.34Å; D56-L60 PolarHBondContact O-N 2.93Å; I57-L60 PolarHBondContact O-N 3Å; I57-L60 VanDerWaalsContact O-N 3.14Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.41Å; L60-S63 PolarHBondContact O-N 2.7Å; L60-S63 VanDerWaalsContact O-N 3.15Å; L60-S63 PolarHBondContact O-OG 2.99Å; L60-L64 PolarHBondContact O-N 3.41Å |
| 61 | V | 92.6 | Very high | 90.4 | Very high | 75 Ų | 75 | 94.2 Ų | 94.2 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L8 I57 D58 S63 L64 | L8-V61 HydrophobicContact CD1-CG2 4.14Å; L8-V61 HydrophobicContact CD2-CG2 4.43Å; I57-V61 HydrophobicContact CG2-CG2 4.32Å; I57-V61 WeakPolarHBondContact O-CG2 3.37Å; I57-V61 PolarHBondContact O-N 3.43Å; D58-V61 PolarHBondContact O-N 3.45Å; V61-S63 PolarHBondContact O-N 3.14Å; V61-L64 WeakPolarHBondContact O-CB 3.4Å; V61-L64 PolarHBondContact O-N 3.1Å; V61-L64 VanDerWaalsContact O-N 3.11Å |
| 62 | E | 92.4 | Very high | 90.1 | Very high | 156 Ų | 156 | 95.4 Ų | 95.4 | 73% | 0.729 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -23 | 174.9 | -71.9 | 178.8 | 175 | 0 | 0 | 113.1 | D58 | D58-E62 WeakPolarHBondContact O-CG 3.45Å; D58-E62 PolarHBondContact O-N 3.02Å |
| 63 | S | 91.7 | Very high | 89.7 | Confident | 51 Ų | 51 | 88.9 Ų | 88.9 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -6.6 | 178.1 | 82.3 | 0 | 0 | 0 | 0 | 114.4 | L59 L60 V61 | L59-S63 WeakPolarHBondContact O-CB 3.33Å; L59-S63 PolarHBondContact O-N 3.38Å; L59-S63 VanDerWaalsContact O-N 3.1Å; L60-S63 PolarHBondContact O-N 2.7Å; L60-S63 VanDerWaalsContact O-N 3.15Å; L60-S63 PolarHBondContact O-OG 2.99Å; V61-S63 PolarHBondContact O-N 3.14Å |
| 64 | L | 89 | Confident | 89.3 | Confident | 58 Ų | 58 | 90.3 Ų | 90.3 | 30% | 0.304 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -72 | 146.9 | 176.7 | -66.6 | 177.8 | 0 | 0 | 0 | 110.3 | R4 L8 L60 V61 D66 | R4-L64 HydrophobicContact CB-CD2 4.03Å; L8-L64 HydrophobicContact CD2-CD1 4.29Å; L60-L64 PolarHBondContact O-N 3.41Å; V61-L64 WeakPolarHBondContact O-CB 3.4Å; V61-L64 PolarHBondContact O-N 3.1Å; V61-L64 VanDerWaalsContact O-N 3.11Å; L64-D66 PolarHBondContact O-N 2.92Å |
| 65 | P | 85 | Confident | 89.1 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | trans | -64.2 | 133.3 | 174.9 | 27.2 | -33.1 | 0 | 0 | 0 | 110.6 | E67 | P65-E67 VanDerWaalsContact C-N 3.32Å; P65-E67 PolarHBondContact O-N 2.79Å | ||
| 66 | D | 76.7 | Confident | 88.9 | Confident | 174 Ų | 174 | 97.1 Ų | 97.1 | 93% | 0.93 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -58.2 | -39.9 | -174.8 | -64.6 | -51.8 | 0 | 0 | 0 | 113.8 | L64 | L64-D66 PolarHBondContact O-N 2.92Š|
| 67 | E | 76.7 | Confident | 88.7 | Confident | 163 Ų | 163 | 101.8 Ų | 101.8 | 76% | 0.762 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -142.3 | 125.8 | -177.3 | -164.2 | 176.8 | 175.6 | 0 | 0 | 109.6 | P65 P69 | P65-E67 VanDerWaalsContact C-N 3.32Å; P65-E67 PolarHBondContact O-N 2.79Å; E67-P69 WeakPolarHBondContact O-CD 3.28Å |
| 68 | E | 77 | Confident | 88.5 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 118.3 | 170.5 | -163.9 | 174.1 | -160.2 | 0 | 0 | 107.6 | ||
| 69 | P | 79.6 | Confident | 88.5 | Confident | 60 Ų | 60 | 107.9 Ų | 107.9 | 39% | 0.39 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 147.9 | -178.9 | 24.9 | -33.5 | 0 | 0 | 0 | 109.3 | E67 R71 A73 Q74 | E67-P69 WeakPolarHBondContact O-CD 3.28Å; P69-R71 PolarHBondContact O-N 3.11Å; P69-A73 HydrophobicContact CB-CB 4.37Å; P69-Q74 HydrophobicContact CG-CB 4.31Å |
| 70 | P | 86.8 | Confident | 88.6 | Confident | 82 Ų | 82 | 111.8 Ų | 111.8 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 142.1 | 177.4 | 21.7 | -31.6 | 0 | 0 | 0 | 109.6 | S72 A73 Q74 | P70-S72 CarbonylContact O-C 3.58Å; P70-S72 PolarHBondContact O-N 3.23Å; P70-A73 HydrophobicContact CG-CB 3.85Å; P70-A73 WeakPolarHBondContact O-CB 3.4Å; P70-A73 PolarHBondContact O-N 3.15Å; P70-Q74 PolarHBondContact O-N 3.44Å |
| 71 | R | 87.6 | Confident | 88.7 | Confident | 224 Ų | 224 | 116 Ų | 116 | 85% | 0.845 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -51.3 | -31 | -174.4 | -65.9 | -176.4 | -177 | -173.5 | 0.7 | 113.1 | P69 R75 | P69-R71 PolarHBondContact O-N 3.11Å; R71-R75 WeakPolarHBondContact O-CB 3.5Å; R71-R75 PolarHBondContact O-N 3.49Å |
| 72 | S | 90.7 | Very high | 88.9 | Confident | 89 Ų | 89 | 114.3 Ų | 114.3 | 62% | 0.622 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.9 | -51.5 | 173.1 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | P70 Q74 R75 E76 | P70-S72 CarbonylContact O-C 3.58Å; P70-S72 PolarHBondContact O-N 3.23Å; S72-Q74 VanDerWaalsContact C-N 3.32Å; S72-Q74 PolarHBondContact O-N 3.36Å; S72-R75 WeakPolarHBondContact O-CB 3.45Å; S72-R75 PolarHBondContact O-N 3.2Å; S72-E76 PolarHBondContact O-N 3.29Å |
| 73 | A | 89.7 | Confident | 89.2 | Confident | 37 Ų | 37 | 113.4 Ų | 113.4 | 31% | 0.306 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P69 P70 E76 K77 | P69-A73 HydrophobicContact CB-CB 4.37Å; P70-A73 HydrophobicContact CG-CB 3.85Å; P70-A73 WeakPolarHBondContact O-CB 3.4Å; P70-A73 PolarHBondContact O-N 3.15Å; A73-E76 PolarHBondContact O-N 3.29Å; A73-K77 WeakPolarHBondContact O-CB 3.4Å; A73-K77 PolarHBondContact O-N 2.93Å |
| 74 | Q | 88.1 | Confident | 89.5 | Confident | 43 Ų | 43 | 115.8 Ų | 115.8 | 20% | 0.201 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -62.9 | -44.2 | 174.4 | -164.1 | -174.8 | 17.8 | 0 | 0 | 111.2 | P69 P70 S72 K77 Y78 | P69-Q74 HydrophobicContact CG-CB 4.31Å; P70-Q74 PolarHBondContact O-N 3.44Å; S72-Q74 VanDerWaalsContact C-N 3.32Å; S72-Q74 PolarHBondContact O-N 3.36Å; Q74-K77 PolarHBondContact O-N 3.34Å; Q74-Y78 HydrophobicContact CG-CD2 3.96Å; Q74-Y78 HydrophobicContact CG-CE2 3.53Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.28Å; Q74-Y78 PolarHBondContact O-N 3.45Å |
| 75 | R | 92.3 | Very high | 89.9 | Confident | 177 Ų | 177 | 118.4 Ų | 118.4 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63 | -43.1 | 176.9 | -167.6 | 178.8 | -161.1 | 168.6 | 4.6 | 112.1 | R71 S72 Y78 Q79 | R71-R75 WeakPolarHBondContact O-CB 3.5Å; R71-R75 PolarHBondContact O-N 3.49Å; S72-R75 WeakPolarHBondContact O-CB 3.45Å; S72-R75 PolarHBondContact O-N 3.2Å; R75-Y78 PolarHBondContact O-N 3.32Å; R75-Q79 WeakPolarHBondContact O-CG 3.39Å; R75-Q79 PolarHBondContact O-N 2.9Å |
| 76 | E | 93.1 | Very high | 90.5 | Very high | 134 Ų | 134 | 117.4 Ų | 117.4 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.2 | -44.9 | 175.7 | -173.1 | -176 | 168.9 | 0 | 0 | 111.2 | S72 A73 Y78 Q79 R80 | S72-E76 PolarHBondContact O-N 3.29Å; A73-E76 PolarHBondContact O-N 3.29Å; E76-Y78 VanDerWaalsContact C-N 3.33Å; E76-Y78 PolarHBondContact O-N 2.97Å; E76-Q79 PolarHBondContact O-N 3.32Å; E76-R80 WeakPolarHBondContact O-CB 3.49Å; E76-R80 PolarHBondContact O-N 2.95Å |
| 77 | K | 91.7 | Very high | 91.5 | Very high | 159 Ų | 159 | 115 Ų | 115 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58 | -44.6 | 174.7 | -173.8 | 179.7 | 180 | 178.6 | 0 | 111.6 | A73 Q74 R80 L81 | A73-K77 WeakPolarHBondContact O-CB 3.4Å; A73-K77 PolarHBondContact O-N 2.93Å; Q74-K77 PolarHBondContact O-N 3.34Å; K77-R80 PolarHBondContact O-N 3.33Å; K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 PolarHBondContact O-N 2.92Å |
| 78 | Y | 93.4 | Very high | 92.5 | Very high | 146 Ų | 146 | 109.6 Ų | 109.6 | 57% | 0.573 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 176.1 | -77.2 | -59.9 | 0 | 0 | 0 | 112.7 | Q74 R75 E76 L81 G82 | Q74-Y78 HydrophobicContact CG-CD2 3.96Å; Q74-Y78 HydrophobicContact CG-CE2 3.53Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.28Å; Q74-Y78 PolarHBondContact O-N 3.45Å; R75-Y78 PolarHBondContact O-N 3.32Å; E76-Y78 VanDerWaalsContact C-N 3.33Å; E76-Y78 PolarHBondContact O-N 2.97Å; Y78-L81 PolarHBondContact O-N 3.03Å; Y78-G82 PolarHBondContact O-N 2.88Å |
| 79 | Q | 95.7 | Very high | 93.5 | Very high | 113 Ų | 113 | 105.2 Ų | 105.2 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 175.8 | -75.3 | 176.9 | -11.1 | 0 | 0 | 111.5 | R75 E76 L81 G82 Q83 | R75-Q79 WeakPolarHBondContact O-CG 3.39Å; R75-Q79 PolarHBondContact O-N 2.9Å; E76-Q79 PolarHBondContact O-N 3.32Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 3.45Å; Q79-G82 PolarHBondContact O-N 3.35Å; Q79-Q83 WeakPolarHBondContact O-CG 3.28Å; Q79-Q83 PolarHBondContact O-N 3.21Å |
| 80 | R | 96.5 | Very high | 94.4 | Very high | 172 Ų | 172 | 108.6 Ų | 108.6 | 65% | 0.649 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 175.8 | -175.2 | 176.1 | 178.9 | 175.5 | -0.5 | 111.5 | E76 K77 G82 Q83 L84 | E76-R80 WeakPolarHBondContact O-CB 3.49Å; E76-R80 PolarHBondContact O-N 2.95Å; K77-R80 PolarHBondContact O-N 3.33Å; R80-G82 VanDerWaalsContact C-N 3.32Å; R80-G82 PolarHBondContact O-N 3.26Å; R80-Q83 PolarHBondContact O-N 3.37Å; R80-L84 HydrophobicContact CG-CD1 4.38Å; R80-L84 WeakPolarHBondContact O-CG 3.29Å; R80-L84 PolarHBondContact O-N 2.83Å |
| 81 | L | 97 | Very high | 95 | Very high | 107 Ų | 107 | 109.8 Ų | 109.8 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 175.7 | -173.7 | 64.5 | 0 | 0 | 0 | 111.4 | K77 Y78 Q79 L84 N85 | K77-L81 WeakPolarHBondContact O-CB 3.44Å; K77-L81 PolarHBondContact O-N 2.92Å; Y78-L81 PolarHBondContact O-N 3.03Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 3.45Å; L81-L84 PolarHBondContact O-N 2.95Å; L81-N85 VanDerWaalsContact O-CB 3.31Å; L81-N85 WeakPolarHBondContact O-CB 3.25Å; L81-N85 PolarHBondContact O-N 3.4Å |
| 82 | G | 97.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 104.5 Ų | 104.5 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y78 Q79 R80 N85 A86 | Y78-G82 PolarHBondContact O-N 2.88Å; Q79-G82 PolarHBondContact O-N 3.35Å; R80-G82 VanDerWaalsContact C-N 3.32Å; R80-G82 PolarHBondContact O-N 3.26Å; G82-N85 PolarHBondContact O-N 3.3Å; G82-A86 WeakPolarHBondContact O-CB 3.26Å; G82-A86 PolarHBondContact O-N 2.93Å |
| 83 | Q | 97.4 | Very high | 95.8 | Very high | 137 Ų | 137 | 106.8 Ų | 106.8 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 175.5 | -70.5 | 172.1 | 2.3 | 0 | 0 | 112.2 | Q79 R80 N85 A86 K87 | Q79-Q83 WeakPolarHBondContact O-CG 3.28Å; Q79-Q83 PolarHBondContact O-N 3.21Å; R80-Q83 PolarHBondContact O-N 3.37Å; Q83-N85 VanDerWaalsContact C-N 3.34Å; Q83-A86 PolarHBondContact O-N 2.98Å; Q83-K87 PolarHBondContact O-N 3.49Å |
| 84 | L | 97.9 | Very high | 96.2 | Very high | 101 Ų | 101 | 110.5 Ų | 110.5 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.2 | -71.1 | 174.6 | 0 | 0 | 0 | 111.6 | R80 L81 K87 A88 | R80-L84 HydrophobicContact CG-CD1 4.38Å; R80-L84 WeakPolarHBondContact O-CG 3.29Å; R80-L84 PolarHBondContact O-N 2.83Å; L81-L84 PolarHBondContact O-N 2.95Å; L84-K87 PolarHBondContact O-N 2.88Å; L84-A88 WeakPolarHBondContact O-CB 3.49Å; L84-A88 PolarHBondContact O-N 3.01Å |
| 85 | N | 97.9 | Very high | 96.7 | Very high | 114 Ų | 114 | 112.7 Ų | 112.7 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -43.3 | 177 | -169 | 37.1 | 0 | 0 | 0 | 111.6 | L81 G82 Q83 K87 A88 A89 | L81-N85 VanDerWaalsContact O-CB 3.31Å; L81-N85 WeakPolarHBondContact O-CB 3.25Å; L81-N85 PolarHBondContact O-N 3.4Å; G82-N85 PolarHBondContact O-N 3.3Å; Q83-N85 VanDerWaalsContact C-N 3.34Å; N85-K87 VanDerWaalsContact C-N 3.34Å; N85-K87 PolarHBondContact O-N 3.14Å; N85-A88 PolarHBondContact O-N 3.39Å; N85-A89 WeakPolarHBondContact O-CB 3.38Å; N85-A89 PolarHBondContact O-N 2.89Å |
| 86 | A | 97.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 108.6 Ų | 108.6 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G82 Q83 A89 Q90 | G82-A86 WeakPolarHBondContact O-CB 3.26Å; G82-A86 PolarHBondContact O-N 2.93Å; Q83-A86 PolarHBondContact O-N 2.98Å; A86-A89 PolarHBondContact O-N 3.11Å; A86-Q90 PolarHBondContact O-N 2.99Å |
| 87 | K | 98 | Very high | 97.2 | Very high | 125 Ų | 125 | 105 Ų | 105 | 54% | 0.543 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175 | -176.4 | 176.6 | 179.5 | 179.2 | 0 | 112.1 | Q83 L84 N85 A89 Q90 Q91 | Q83-K87 PolarHBondContact O-N 3.49Å; L84-K87 PolarHBondContact O-N 2.88Å; N85-K87 VanDerWaalsContact C-N 3.34Å; N85-K87 PolarHBondContact O-N 3.14Å; K87-A89 VanDerWaalsContact C-N 3.33Å; K87-Q90 PolarHBondContact O-N 3.4Å; K87-Q91 WeakPolarHBondContact O-CG 3.39Å; K87-Q91 PolarHBondContact O-N 3.31Å |
| 88 | A | 97.8 | Very high | 97.5 | Very high | 49 Ų | 49 | 103 Ų | 103 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L84 N85 Q91 L92 | L84-A88 WeakPolarHBondContact O-CB 3.49Å; L84-A88 PolarHBondContact O-N 3.01Å; N85-A88 PolarHBondContact O-N 3.39Å; A88-Q91 PolarHBondContact O-N 3.4Å; A88-L92 WeakPolarHBondContact O-CB 3.24Å; A88-L92 PolarHBondContact O-N 3.32Å |
| 89 | A | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 97.6 Ų | 97.6 | 35% | 0.347 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N85 A86 K87 Q91 L92 E93 | N85-A89 WeakPolarHBondContact O-CB 3.38Å; N85-A89 PolarHBondContact O-N 2.89Å; A86-A89 PolarHBondContact O-N 3.11Å; K87-A89 VanDerWaalsContact C-N 3.33Å; A89-Q91 PolarHBondContact O-N 3.46Å; A89-L92 WeakPolarHBondContact O-CB 3.39Å; A89-L92 PolarHBondContact O-N 3.44Å; A89-E93 WeakPolarHBondContact O-CG 3.29Å; A89-E93 PolarHBondContact O-N 3.45Å |
| 90 | Q | 98.1 | Very high | 97.8 | Very high | 130 Ų | 130 | 97 Ų | 97 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 175.9 | -174 | -176.3 | -2.2 | 0 | 0 | 112.3 | A86 K87 L92 E93 E94 | A86-Q90 PolarHBondContact O-N 2.99Å; K87-Q90 PolarHBondContact O-N 3.4Å; Q90-L92 VanDerWaalsContact C-N 3.3Å; Q90-L92 PolarHBondContact O-N 2.88Å; Q90-E93 PolarHBondContact O-N 3.44Å; Q90-E94 PolarHBondContact O-N 2.93Å |
| 91 | Q | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 176 | -72 | 178.3 | -31.2 | 0 | 0 | 111.9 | K87 A88 A89 T95 | K87-Q91 WeakPolarHBondContact O-CG 3.39Å; K87-Q91 PolarHBondContact O-N 3.31Å; A88-Q91 PolarHBondContact O-N 3.4Å; A89-Q91 PolarHBondContact O-N 3.46Å; Q91-T95 WeakPolarHBondContact O-CB 3.38Å; Q91-T95 PolarHBondContact O-N 2.9Å; Q91-T95 PolarHBondContact O-OG1 3.32Å |
| 92 | L | 98.1 | Very high | 97.9 | Very high | 113 Ų | 113 | 94.8 Ų | 94.8 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -46.3 | 174.5 | 179.8 | 62.8 | 0 | 0 | 0 | 111 | A88 A89 Q90 E94 T95 V96 | A88-L92 WeakPolarHBondContact O-CB 3.24Å; A88-L92 PolarHBondContact O-N 3.32Å; A89-L92 WeakPolarHBondContact O-CB 3.39Å; A89-L92 PolarHBondContact O-N 3.44Å; Q90-L92 VanDerWaalsContact C-N 3.3Å; Q90-L92 PolarHBondContact O-N 2.88Å; L92-E94 PolarHBondContact O-N 3.27Å; L92-T95 PolarHBondContact O-N 3.49Å; L92-V96 HydrophobicContact CD1-CG2 4.22Å; L92-V96 HydrophobicContact CG-CG2 4.44Å; L92-V96 WeakPolarHBondContact O-CB 3.21Å; L92-V96 VanDerWaalsContact O-CG2 3.27Å; L92-V96 WeakPolarHBondContact O-CG2 3.25Å; L92-V96 PolarHBondContact O-N 3.26Å |
| 93 | E | 98.1 | Very high | 97.9 | Very high | 137 Ų | 137 | 98.2 Ų | 98.2 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.7 | -44.9 | 176.6 | -75.3 | 174.3 | -172.1 | 0 | 0 | 112 | A89 Q90 T95 V96 A97 | A89-E93 WeakPolarHBondContact O-CG 3.29Å; A89-E93 PolarHBondContact O-N 3.45Å; Q90-E93 PolarHBondContact O-N 3.44Å; E93-T95 PolarHBondContact O-N 3.08Å; E93-V96 PolarHBondContact O-N 2.96Å; E93-A97 WeakPolarHBondContact O-CB 3.26Å; E93-A97 PolarHBondContact O-N 3.43Å |
| 94 | E | 97.9 | Very high | 97.9 | Very high | 115 Ų | 115 | 95.6 Ų | 95.6 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.8 | -174 | 179.1 | 179 | 0 | 0 | 111.6 | Q90 L92 V96 A97 Q98 | Q90-E94 PolarHBondContact O-N 2.93Å; L92-E94 PolarHBondContact O-N 3.27Å; E94-V96 PolarHBondContact O-N 2.67Å; E94-A97 PolarHBondContact O-N 3.12Å; E94-Q98 WeakPolarHBondContact O-CG 3.32Å; E94-Q98 PolarHBondContact O-N 3.41Å |
| 95 | T | 97.9 | Very high | 97.9 | Very high | 90 Ų | 90 | 99.1 Ų | 99.1 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -41.3 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | Q91 L92 E93 Q98 G99 | Q91-T95 WeakPolarHBondContact O-CB 3.38Å; Q91-T95 PolarHBondContact O-N 2.9Å; Q91-T95 PolarHBondContact O-OG1 3.32Å; L92-T95 PolarHBondContact O-N 3.49Å; E93-T95 PolarHBondContact O-N 3.08Å; T95-Q98 PolarHBondContact O-N 2.99Å; T95-G99 PolarHBondContact O-N 2.84Å |
| 96 | V | 98.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 97.2 Ų | 97.2 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | L92 E93 E94 G99 Q100 | L92-V96 HydrophobicContact CD1-CG2 4.22Å; L92-V96 HydrophobicContact CG-CG2 4.44Å; L92-V96 WeakPolarHBondContact O-CB 3.21Å; L92-V96 VanDerWaalsContact O-CG2 3.27Å; L92-V96 WeakPolarHBondContact O-CG2 3.25Å; L92-V96 PolarHBondContact O-N 3.26Å; E93-V96 PolarHBondContact O-N 2.96Å; E94-V96 PolarHBondContact O-N 2.67Å; V96-G99 PolarHBondContact O-N 2.88Å; V96-Q100 PolarHBondContact O-N 3.45Å |
| 97 | A | 98 | Very high | 97.9 | Very high | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E93 E94 G99 Q100 L101 | E93-A97 WeakPolarHBondContact O-CB 3.26Å; E93-A97 PolarHBondContact O-N 3.43Å; E94-A97 PolarHBondContact O-N 3.12Å; A97-G99 VanDerWaalsContact C-N 3.34Å; A97-Q100 PolarHBondContact O-N 2.86Å; A97-L101 PolarHBondContact O-N 2.9Å; A97-L101 VanDerWaalsContact O-N 3.13Å |
| 98 | Q | 97.9 | Very high | 97.8 | Very high | 117 Ų | 117 | 96.3 Ų | 96.3 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.5 | -69.6 | 174.6 | 13 | 0 | 0 | 111.6 | E94 T95 L101 L102 | E94-Q98 WeakPolarHBondContact O-CG 3.32Å; E94-Q98 PolarHBondContact O-N 3.41Å; T95-Q98 PolarHBondContact O-N 2.99Å; Q98-L101 PolarHBondContact O-N 3.43Å; Q98-L102 PolarHBondContact O-N 2.92Å; Q98-L102 VanDerWaalsContact O-N 3.15Å |
| 99 | G | 98.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 97.7 Ų | 97.7 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | T95 V96 A97 L102 L103 | T95-G99 PolarHBondContact O-N 2.84Å; V96-G99 PolarHBondContact O-N 2.88Å; A97-G99 VanDerWaalsContact C-N 3.34Å; G99-L102 PolarHBondContact O-N 3.48Å; G99-L103 WeakPolarHBondContact O-CG 3.41Å; G99-L103 PolarHBondContact O-N 3.2Å |
| 100 | Q | 97.7 | Very high | 97.8 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 178 | -172.4 | 60.3 | 46 | 0 | 0 | 111.8 | V96 A97 L102 L103 D104 | V96-Q100 PolarHBondContact O-N 3.45Å; A97-Q100 PolarHBondContact O-N 2.86Å; Q100-L102 VanDerWaalsContact C-N 3.27Å; Q100-L102 PolarHBondContact O-N 2.95Å; Q100-L103 WeakPolarHBondContact O-CB 3.44Å; Q100-L103 PolarHBondContact O-N 3.22Å; Q100-L103 VanDerWaalsContact O-N 3.09Å; Q100-D104 PolarHBondContact NE2-OD1 3.47Å; Q100-D104 VanDerWaalsContact O-CG 3.26Å; Q100-D104 PolarHBondContact O-N 3.05Å |
| 101 | L | 97.6 | Very high | 97.7 | Very high | 124 Ų | 124 | 97.3 Ų | 97.3 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -37.8 | 178.4 | -157.9 | 159.3 | 0 | 0 | 0 | 111.6 | A97 Q98 R105 | A97-L101 PolarHBondContact O-N 2.9Å; A97-L101 VanDerWaalsContact O-N 3.13Å; Q98-L101 PolarHBondContact O-N 3.43Å; L101-R105 PolarHBondContact O-N 3.37Å; L101-R105 VanDerWaalsContact O-N 3.13Å |
| 102 | L | 97.7 | Very high | 97.7 | Very high | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 174.3 | -174.3 | 63.5 | 0 | 0 | 0 | 111.9 | Q98 G99 Q100 R105 V106 | Q98-L102 PolarHBondContact O-N 2.92Å; Q98-L102 VanDerWaalsContact O-N 3.15Å; G99-L102 PolarHBondContact O-N 3.48Å; Q100-L102 VanDerWaalsContact C-N 3.27Å; Q100-L102 PolarHBondContact O-N 2.95Å; L102-R105 PolarHBondContact O-N 2.88Å; L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.47Å |
| 103 | L | 97.7 | Very high | 97.7 | Very high | 110 Ų | 110 | 97.6 Ų | 97.6 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 176 | -72.7 | 173.5 | 0 | 0 | 0 | 111.9 | G99 Q100 R105 V106 S107 | G99-L103 WeakPolarHBondContact O-CG 3.41Å; G99-L103 PolarHBondContact O-N 3.2Å; Q100-L103 WeakPolarHBondContact O-CB 3.44Å; Q100-L103 PolarHBondContact O-N 3.22Å; Q100-L103 VanDerWaalsContact O-N 3.09Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 3.23Å; L103-V106 PolarHBondContact O-N 2.96Å; L103-V106 VanDerWaalsContact O-N 3.16Å; L103-S107 PolarHBondContact O-N 3.41Å |
| 104 | D | 97.7 | Very high | 97.6 | Very high | 82 Ų | 82 | 95.4 Ų | 95.4 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 176.5 | -64.3 | -14.7 | 0 | 0 | 0 | 110.4 | Q100 V106 S107 D108 | Q100-D104 PolarHBondContact NE2-OD1 3.47Å; Q100-D104 VanDerWaalsContact O-CG 3.26Å; Q100-D104 PolarHBondContact O-N 3.05Å; D104-V106 VanDerWaalsContact C-N 3.35Å; D104-V106 PolarHBondContact O-N 2.92Å; D104-S107 WeakPolarHBondContact O-CA 3.4Å; D104-S107 VanDerWaalsContact O-CB 3.29Å; D104-S107 WeakPolarHBondContact O-CB 3.44Å; D104-S107 PolarHBondContact O-N 2.89Å; D104-S107 VanDerWaalsContact O-N 3.13Å; D104-D108 PolarHBondContact O-N 3.17Å |
| 105 | R | 97.5 | Very high | 97.5 | Very high | 176 Ų | 176 | 95.6 Ų | 95.6 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 175.6 | -176.1 | 176.9 | 180 | 179.8 | 1 | 113 | L101 L102 L103 S107 V109 | L101-R105 PolarHBondContact O-N 3.37Å; L101-R105 VanDerWaalsContact O-N 3.13Å; L102-R105 PolarHBondContact O-N 2.88Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 3.23Å; R105-S107 VanDerWaalsContact C-N 3.33Å; R105-V109 WeakPolarHBondContact O-CG2 3.47Å; R105-V109 PolarHBondContact O-N 2.94Å |
| 106 | V | 97.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 93.4 Ų | 93.4 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.4 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | L102 L103 D104 V109 I110 | L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.47Å; L103-V106 PolarHBondContact O-N 2.96Å; L103-V106 VanDerWaalsContact O-N 3.16Å; D104-V106 VanDerWaalsContact C-N 3.35Å; D104-V106 PolarHBondContact O-N 2.92Å; V106-V109 PolarHBondContact O-N 3.08Å; V106-I110 HydrophobicContact CG1-CD1 3.97Å; V106-I110 WeakPolarHBondContact O-CG1 3.48Å; V106-I110 PolarHBondContact O-N 2.9Å |
| 107 | S | 97 | Very high | 97.3 | Very high | 58 Ų | 58 | 94.8 Ų | 94.8 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 174.9 | -161.5 | 0 | 0 | 0 | 0 | 111.6 | L103 D104 R105 V109 I110 D111 | L103-S107 PolarHBondContact O-N 3.41Å; D104-S107 WeakPolarHBondContact O-CA 3.4Å; D104-S107 VanDerWaalsContact O-CB 3.29Å; D104-S107 WeakPolarHBondContact O-CB 3.44Å; D104-S107 PolarHBondContact O-N 2.89Å; D104-S107 VanDerWaalsContact O-N 3.13Å; R105-S107 VanDerWaalsContact C-N 3.33Å; S107-V109 VanDerWaalsContact C-N 3.26Å; S107-V109 PolarHBondContact O-N 2.73Å; S107-I110 PolarHBondContact O-N 3.44Å; S107-I110 VanDerWaalsContact O-N 3.09Å; S107-D111 PolarHBondContact O-N 3.38Å |
| 108 | D | 97.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 97.1 Ų | 97.1 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | 177.5 | -69.8 | -23.3 | 0 | 0 | 0 | 112.3 | D104 Y112 | D104-D108 PolarHBondContact O-N 3.17Å; D108-Y112 WeakPolarHBondContact O-CB 3.13Å; D108-Y112 PolarHBondContact O-N 3.46Å |
| 109 | V | 97.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | R105 V106 S107 Y112 I113 | R105-V109 WeakPolarHBondContact O-CG2 3.47Å; R105-V109 PolarHBondContact O-N 2.94Å; V106-V109 PolarHBondContact O-N 3.08Å; S107-V109 VanDerWaalsContact C-N 3.26Å; S107-V109 PolarHBondContact O-N 2.73Å; V109-Y112 PolarHBondContact O-N 3.25Å; V109-I113 HydrophobicContact CG1-CD1 3.93Å; V109-I113 VanDerWaalsContact O-CG1 3.25Å; V109-I113 WeakPolarHBondContact O-CG1 3.23Å; V109-I113 PolarHBondContact O-N 3.31Å |
| 110 | I | 97.3 | Very high | 96.7 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 175.7 | -68.3 | 167.8 | 0 | 0 | 0 | 110 | V106 S107 Y112 I113 D114 | V106-I110 HydrophobicContact CG1-CD1 3.97Å; V106-I110 WeakPolarHBondContact O-CG1 3.48Å; V106-I110 PolarHBondContact O-N 2.9Å; S107-I110 PolarHBondContact O-N 3.44Å; S107-I110 VanDerWaalsContact O-N 3.09Å; I110-Y112 VanDerWaalsContact C-N 3.28Å; I110-Y112 PolarHBondContact O-N 2.99Å; I110-I113 WeakPolarHBondContact O-CB 3.16Å; I110-I113 PolarHBondContact O-N 2.85Å; I110-I113 VanDerWaalsContact O-N 3.1Å; I110-D114 PolarHBondContact O-N 3.39Å |
| 111 | D | 97.4 | Very high | 96.5 | Very high | 79 Ų | 79 | 96.6 Ų | 96.6 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 178.5 | -73.1 | -20.8 | 0 | 0 | 0 | 111.9 | S107 D114 Q115 | S107-D111 PolarHBondContact O-N 3.38Å; D111-D114 PolarHBondContact O-N 3.34Å; D111-Q115 VanDerWaalsContact O-CG 3.27Å; D111-Q115 WeakPolarHBondContact O-CG 3.29Å; D111-Q115 PolarHBondContact O-N 3.34Å |
| 112 | Y | 97.5 | Very high | 96.2 | Very high | 151 Ų | 151 | 96.3 Ų | 96.3 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 174.1 | 178.3 | -103.4 | 0 | 0 | 0 | 112.3 | D108 V109 I110 D114 Q115 V116 | D108-Y112 WeakPolarHBondContact O-CB 3.13Å; D108-Y112 PolarHBondContact O-N 3.46Å; V109-Y112 PolarHBondContact O-N 3.25Å; I110-Y112 VanDerWaalsContact C-N 3.28Å; I110-Y112 PolarHBondContact O-N 2.99Å; Y112-D114 VanDerWaalsContact C-N 3.31Å; Y112-D114 PolarHBondContact O-N 2.92Å; Y112-Q115 PolarHBondContact O-N 2.87Å; Y112-V116 HydrophobicContact CD1-CG2 4.27Å; Y112-V116 HydrophobicContact CD2-CG2 4.35Å; Y112-V116 HydrophobicContact CE1-CG2 3.81Å; Y112-V116 HydrophobicContact CE2-CG2 3.9Å; Y112-V116 WeakPolarHBondContact O-CG2 3.37Å; Y112-V116 PolarHBondContact O-N 2.94Å |
| 113 | I | 96.6 | Very high | 95.8 | Very high | 75 Ų | 75 | 96.5 Ų | 96.5 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.1 | -71.4 | 165.3 | 0 | 0 | 0 | 109.9 | V109 I110 Q115 V116 Q117 | V109-I113 HydrophobicContact CG1-CD1 3.93Å; V109-I113 VanDerWaalsContact O-CG1 3.25Å; V109-I113 WeakPolarHBondContact O-CG1 3.23Å; V109-I113 PolarHBondContact O-N 3.31Å; I110-I113 WeakPolarHBondContact O-CB 3.16Å; I110-I113 PolarHBondContact O-N 2.85Å; I110-I113 VanDerWaalsContact O-N 3.1Å; I113-Q115 PolarHBondContact O-N 2.92Å; I113-V116 PolarHBondContact O-N 3.45Å; I113-Q117 HydrophobicContact CG2-CG 4.3Å; I113-Q117 WeakPolarHBondContact O-CB 3.47Å; I113-Q117 VanDerWaalsContact O-CG 3.29Å; I113-Q117 WeakPolarHBondContact O-CG 3.35Å; I113-Q117 PolarHBondContact O-N 3.47Å |
| 114 | D | 96.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 179.3 | -75.5 | -7.6 | 0 | 0 | 0 | 111.7 | I110 D111 Y112 Q117 H118 | I110-D114 PolarHBondContact O-N 3.39Å; D111-D114 PolarHBondContact O-N 3.34Å; Y112-D114 VanDerWaalsContact C-N 3.31Å; Y112-D114 PolarHBondContact O-N 2.92Å; D114-Q117 PolarHBondContact O-N 3.43Å; D114-H118 WeakPolarHBondContact O-CB 3.49Å; D114-H118 PolarHBondContact O-N 3.29Å |
| 115 | Q | 96.5 | Very high | 94.8 | Very high | 119 Ų | 119 | 100.1 Ų | 100.1 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 175.3 | -73.7 | 174.3 | 33 | 0 | 0 | 112.4 | D111 Y112 I113 H118 Q119 | D111-Q115 VanDerWaalsContact O-CG 3.27Å; D111-Q115 WeakPolarHBondContact O-CG 3.29Å; D111-Q115 PolarHBondContact O-N 3.34Å; Y112-Q115 PolarHBondContact O-N 2.87Å; I113-Q115 PolarHBondContact O-N 2.92Å; Q115-H118 PolarHBondContact O-N 2.9Å; Q115-Q119 WeakPolarHBondContact O-CG 3.14Å; Q115-Q119 PolarHBondContact O-N 3.42Å |
| 116 | V | 96.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 99.3 Ų | 99.3 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 178.1 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | Y112 I113 H118 Q119 I120 | Y112-V116 HydrophobicContact CD1-CG2 4.27Å; Y112-V116 HydrophobicContact CD2-CG2 4.35Å; Y112-V116 HydrophobicContact CE1-CG2 3.81Å; Y112-V116 HydrophobicContact CE2-CG2 3.9Å; Y112-V116 WeakPolarHBondContact O-CG2 3.37Å; Y112-V116 PolarHBondContact O-N 2.94Å; I113-V116 PolarHBondContact O-N 3.45Å; V116-H118 VanDerWaalsContact C-N 3.33Å; V116-H118 PolarHBondContact O-N 3.45Å; V116-Q119 PolarHBondContact O-N 3.49Å; V116-I120 HydrophobicContact CG1-CD1 3.8Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.37Å; V116-I120 PolarHBondContact O-N 3.39Å |
| 117 | Q | 94.9 | Very high | 92.3 | Very high | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 176.8 | -73.1 | -178 | 11.1 | 0 | 0 | 111.8 | I113 D114 I120 A121 | I113-Q117 HydrophobicContact CG2-CG 4.3Å; I113-Q117 WeakPolarHBondContact O-CB 3.47Å; I113-Q117 VanDerWaalsContact O-CG 3.29Å; I113-Q117 WeakPolarHBondContact O-CG 3.35Å; I113-Q117 PolarHBondContact O-N 3.47Å; D114-Q117 PolarHBondContact O-N 3.43Å; Q117-I120 PolarHBondContact O-N 2.92Å; Q117-A121 WeakPolarHBondContact O-CB 3.17Å; Q117-A121 PolarHBondContact O-N 3.48Å |
| 118 | H | 94.5 | Very high | 90.4 | Very high | 109 Ų | 109 | 105.1 Ų | 105.1 | 51% | 0.505 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176.1 | -171.7 | 68.1 | 0 | 0 | 0 | 112.6 | D114 Q115 V116 A121 K122 | D114-H118 WeakPolarHBondContact O-CB 3.49Å; D114-H118 PolarHBondContact O-N 3.29Å; Q115-H118 PolarHBondContact O-N 2.9Å; V116-H118 VanDerWaalsContact C-N 3.33Å; V116-H118 PolarHBondContact O-N 3.45Å; H118-A121 PolarHBondContact O-N 3.11Å; H118-K122 WeakPolarHBondContact NE2-CE 3.47Å; H118-K122 PolarHBondContact NE2-NZ 3.47Å; H118-K122 WeakPolarHBondContact O-CG 3.36Å; H118-K122 PolarHBondContact O-N 3.35Å |
| 119 | Q | 94.7 | Very high | 88.5 | Confident | 119 Ų | 119 | 108.4 Ų | 108.4 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 174.1 | -74.1 | -179.8 | -5.7 | 0 | 0 | 112 | Q115 V116 A121 K122 M123 | Q115-Q119 WeakPolarHBondContact O-CG 3.14Å; Q115-Q119 PolarHBondContact O-N 3.42Å; V116-Q119 PolarHBondContact O-N 3.49Å; Q119-A121 VanDerWaalsContact C-N 3.32Å; Q119-A121 PolarHBondContact O-N 3.05Å; Q119-K122 PolarHBondContact O-N 3.49Å; Q119-M123 WeakPolarHBondContact O-CG 3.44Å; Q119-M123 PolarHBondContact O-N 2.77Å |
| 120 | I | 93.5 | Very high | 86 | Confident | 64 Ų | 64 | 117 Ų | 117 | 33% | 0.328 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.6 | -44 | 175.8 | -68.9 | 167.5 | 0 | 0 | 0 | 110.8 | V116 Q117 K122 M123 R124 | V116-I120 HydrophobicContact CG1-CD1 3.8Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.37Å; V116-I120 PolarHBondContact O-N 3.39Å; Q117-I120 PolarHBondContact O-N 2.92Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 2.76Å; I120-M123 HydrophobicContact CG1-CE 4.12Å; I120-M123 PolarHBondContact O-N 2.8Å; I120-R124 HydrophobicContact CG2-CG 4.49Å; I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 3.34Å |
| 121 | A | 92.4 | Very high | 85.5 | Confident | 55 Ų | 55 | 118.7 Ų | 118.7 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.7 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q117 H118 Q119 A125 | Q117-A121 WeakPolarHBondContact O-CB 3.17Å; Q117-A121 PolarHBondContact O-N 3.48Å; H118-A121 PolarHBondContact O-N 3.11Å; Q119-A121 VanDerWaalsContact C-N 3.32Å; Q119-A121 PolarHBondContact O-N 3.05Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.05Å; A121-A125 VanDerWaalsContact O-N 3.1Å |
| 122 | K | 91.9 | Very high | 84.8 | Confident | 118 Ų | 118 | 120.7 Ų | 120.7 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.7 | -44.1 | 174.5 | -77.6 | 179.4 | 173.1 | 165.6 | 0 | 112.7 | H118 Q119 I120 A125 Q126 | H118-K122 WeakPolarHBondContact NE2-CE 3.47Å; H118-K122 PolarHBondContact NE2-NZ 3.47Å; H118-K122 WeakPolarHBondContact O-CG 3.36Å; H118-K122 PolarHBondContact O-N 3.35Å; Q119-K122 PolarHBondContact O-N 3.49Å; I120-K122 VanDerWaalsContact C-N 3.33Å; I120-K122 PolarHBondContact O-N 2.76Å; K122-A125 PolarHBondContact O-N 3.38Å; K122-Q126 WeakPolarHBondContact O-CG 3.23Å; K122-Q126 PolarHBondContact O-N 3.06Å |
| 123 | M | 89.4 | Confident | 84.1 | Confident | 113 Ų | 113 | 119.1 Ų | 119.1 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.5 | -44.3 | 178.1 | -70.6 | -174.8 | -68.1 | 0 | 0 | 111.4 | Q119 I120 A125 Q126 E127 | Q119-M123 WeakPolarHBondContact O-CG 3.44Å; Q119-M123 PolarHBondContact O-N 2.77Å; I120-M123 HydrophobicContact CG1-CE 4.12Å; I120-M123 PolarHBondContact O-N 2.8Å; M123-A125 VanDerWaalsContact C-N 3.28Å; M123-A125 PolarHBondContact O-N 2.87Å; M123-Q126 PolarHBondContact O-N 3.48Å; M123-Q126 VanDerWaalsContact O-N 3.07Å; M123-E127 PolarHBondContact O-N 3.02Å |
| 124 | R | 88.4 | Confident | 83.4 | Confident | 182 Ų | 182 | 121.6 Ų | 121.6 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.6 | -30.3 | 175.8 | -71.6 | -179.5 | -176.3 | 174 | 2.3 | 113.6 | I120 Q126 | I120-R124 HydrophobicContact CG2-CG 4.49Å; I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 3.34Å; R124-Q126 VanDerWaalsContact C-N 3.29Å |
| 125 | A | 86.7 | Confident | 82.6 | Confident | 86 Ų | 86 | 123.6 Ų | 123.6 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.4 | -16.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A121 K122 M123 | A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.05Å; A121-A125 VanDerWaalsContact O-N 3.1Å; K122-A125 PolarHBondContact O-N 3.38Å; M123-A125 VanDerWaalsContact C-N 3.28Å; M123-A125 PolarHBondContact O-N 2.87Å |
| 126 | Q | 78.7 | Confident | 81.7 | Confident | 158 Ų | 158 | 123.9 Ų | 123.9 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -99.4 | -10.5 | 178.9 | -71.3 | -179 | -15.6 | 0 | 0 | 113.5 | K122 M123 R124 P128 | K122-Q126 WeakPolarHBondContact O-CG 3.23Å; K122-Q126 PolarHBondContact O-N 3.06Å; M123-Q126 PolarHBondContact O-N 3.48Å; M123-Q126 VanDerWaalsContact O-N 3.07Å; R124-Q126 VanDerWaalsContact C-N 3.29Å; Q126-P128 VanDerWaalsContact O-CD 3.29Å; Q126-P128 WeakPolarHBondContact O-CD 3.33Å |
| 127 | E | 63.4 | Low | 80.6 | Confident | 143 Ų | 143 | 129.6 Ų | 129.6 | 67% | 0.668 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -63.1 | 116.8 | 171 | -90.7 | 174.7 | 156 | 0 | 0 | 109.3 | M123 L129 | M123-E127 PolarHBondContact O-N 3.02Å; E127-L129 PolarHBondContact O-N 2.94Å |
| 128 | P | 57.4 | Low | 79.5 | Confident | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 66% | 0.66 | S | S | * | * | trans | -65.1 | 132.5 | 173.3 | 26.7 | -29.6 | 0 | 0 | 0 | 108.3 | Q126 E130 | Q126-P128 VanDerWaalsContact O-CD 3.29Å; Q126-P128 WeakPolarHBondContact O-CD 3.33Å; P128-E130 VanDerWaalsContact C-N 3.33Å; P128-E130 PolarHBondContact O-N 3.11Å | ||
| 129 | L | 57.6 | Low | 78.3 | Confident | 179 Ų | 179 | 132.3 Ų | 132.3 | 94% | 0.937 | 67% | 0.673 | S | S | * | * | trans | -58.7 | 99.9 | 162.8 | -76.2 | 136.3 | 0 | 0 | 0 | 107.1 | E127 | E127-L129 PolarHBondContact O-N 2.94Š| ||
| 130 | E | 45.7 | Very low | 76.8 | Confident | 260 Ų | 260 | 133.5 Ų | 133.5 | 100% | 1.215 | 68% | 0.684 | S | S | * | * | trans | -60.9 | 0 | 159.8 | -70.6 | -167.2 | 155.6 | 0 | 0 | 110.7 | P128 | P128-E130 VanDerWaalsContact C-N 3.33Å; P128-E130 PolarHBondContact O-N 3.11Å |
Retrieved 130 of 130 residues in 134.7 ms
(Link to these results)