| 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 | 57.5 | Low | 84.6 | Confident | 170 Ų | 170 | 86 Ų | 86 | 84% | 0.837 | 45% | 0.45 | S | S | * | . | 0 | -48.2 | 0 | -90 | 171.9 | 128.4 | 0 | 0 | 112.4 | D3 P84 | M1-D3 PolarHBondContact O-N 2.99Å; M1-P84 HydrophobicContact CE-CG 4.27Å; M1-P84 HydrophobicContact CG-CG 4.42Å | |||
| 2 | A | 67.1 | Low | 85.4 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 60% | 0.603 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.3 | -44.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R4 L5 T6 | A2-R4 PolarHBondContact O-N 2.98Å; A2-L5 PolarHBondContact O-N 2.85Å; A2-L5 VanDerWaalsContact O-N 3.16Å; A2-T6 PolarHBondContact O-N 2.99Å; A2-T6 PolarHBondContact O-OG1 3.38Å; A2-T6 VanDerWaalsContact O-OG1 3.08Å |
| 3 | D | 84.1 | Confident | 86.2 | Confident | 122 Ų | 122 | 85.6 Ų | 85.6 | 65% | 0.652 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.2 | -47.8 | -172.5 | -165.3 | 40.5 | 0 | 0 | 0 | 113.8 | M1 L5 T6 E7 | M1-D3 PolarHBondContact O-N 2.99Å; D3-L5 PolarHBondContact O-N 3.34Å; D3-T6 PolarHBondContact O-N 3.45Å; D3-E7 WeakPolarHBondContact O-CB 3.4Å; D3-E7 PolarHBondContact O-N 2.85Å |
| 4 | R | 84.8 | Confident | 86.7 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 43% | 0.434 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69 | -33.8 | 178.4 | -65.9 | -67.2 | 166.8 | -171.2 | -0.8 | 113.3 | A2 E7 L8 L83 | A2-R4 PolarHBondContact O-N 2.98Å; R4-E7 WeakPolarHBondContact CD-OE2 3.22Å; R4-E7 IonicContact CZ-OE2 3.32Å; R4-E7 IonicContact NE-OE2 3.28Å; R4-E7 IonicContact NH1-OE1 3.58Å; R4-E7 IonicContact NH1-OE2 2.64Å; R4-E7 PolarHBondContact NH1-OE2 3.47Å; R4-L8 VanDerWaalsContact O-CB 3.3Å; R4-L8 WeakPolarHBondContact O-CB 3.32Å; R4-L8 PolarHBondContact O-N 3.23Å; R4-L83 HydrophobicContact CB-CD2 4.48Å |
| 5 | L | 85.7 | Confident | 87.3 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 56% | 0.555 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.4 | -39.6 | 175.7 | -175.1 | 65.3 | 0 | 0 | 0 | 110.9 | A2 D3 L8 Q9 | A2-L5 PolarHBondContact O-N 2.85Å; A2-L5 VanDerWaalsContact O-N 3.16Å; D3-L5 PolarHBondContact O-N 3.34Å; L5-L8 PolarHBondContact O-N 2.84Å; L5-Q9 WeakPolarHBondContact O-CB 3.16Å; L5-Q9 PolarHBondContact O-N 2.86Å |
| 6 | T | 89.8 | Confident | 87.8 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 173.3 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | A2 D3 L8 Q9 D10 | A2-T6 PolarHBondContact O-N 2.99Å; A2-T6 PolarHBondContact O-OG1 3.38Å; A2-T6 VanDerWaalsContact O-OG1 3.08Å; D3-T6 PolarHBondContact O-N 3.45Å; T6-L8 VanDerWaalsContact C-N 3.31Å; T6-L8 PolarHBondContact O-N 3.35Å; T6-Q9 WeakPolarHBondContact O-CB 3.45Å; T6-Q9 PolarHBondContact O-N 3.29Å; T6-Q9 VanDerWaalsContact O-N 3.1Å; T6-D10 PolarHBondContact O-N 3.01Å |
| 7 | E | 90.4 | Very high | 88.2 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 176.8 | -169.7 | -176.7 | -175.7 | 0 | 0 | 112.2 | D3 R4 D10 A11 L79 | D3-E7 WeakPolarHBondContact O-CB 3.4Å; D3-E7 PolarHBondContact O-N 2.85Å; R4-E7 WeakPolarHBondContact CD-OE2 3.22Å; R4-E7 IonicContact CZ-OE2 3.32Å; R4-E7 IonicContact NE-OE2 3.28Å; R4-E7 IonicContact NH1-OE1 3.58Å; R4-E7 IonicContact NH1-OE2 2.64Å; R4-E7 PolarHBondContact NH1-OE2 3.47Å; E7-D10 PolarHBondContact O-N 3.11Å; E7-A11 WeakPolarHBondContact O-CB 3.32Å; E7-A11 PolarHBondContact O-N 3.49Å; E7-L79 HydrophobicContact CB-CD2 4.41Å; E7-L79 HydrophobicContact CG-CD1 3.97Å; E7-L79 HydrophobicContact CG-CD2 3.9Å; E7-L79 VanDerWaalsContact OE2-CD2 3.29Å; E7-L79 WeakPolarHBondContact OE2-CD2 3.31Å |
| 8 | L | 92 | Very high | 88.5 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 173.6 | -177.7 | 67.6 | 0 | 0 | 0 | 111.1 | R4 L5 T6 D10 A11 I12 L76 L79 I80 L83 | R4-L8 VanDerWaalsContact O-CB 3.3Å; R4-L8 WeakPolarHBondContact O-CB 3.32Å; R4-L8 PolarHBondContact O-N 3.23Å; L5-L8 PolarHBondContact O-N 2.84Å; T6-L8 VanDerWaalsContact C-N 3.31Å; T6-L8 PolarHBondContact O-N 3.35Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-D10 PolarHBondContact O-N 3.44Å; L8-A11 PolarHBondContact O-N 3.2Å; L8-I12 HydrophobicContact CG-CD1 4.1Å; L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.42Å; L8-I12 PolarHBondContact O-N 2.92Å; L8-L76 HydrophobicContact CD1-CD2 3.7Å; L8-L79 HydrophobicContact CD1-CB 3.91Å; L8-L79 HydrophobicContact CD1-CD1 4.45Å; L8-I80 HydrophobicContact CD1-CG1 3.98Å; L8-L83 HydrophobicContact CD2-CD1 4.33Å |
| 9 | Q | 92.3 | Very high | 88.8 | Confident | 113 Ų | 113 | 77.6 Ų | 77.6 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.5 | -174.3 | 179.2 | 4.5 | 0 | 0 | 111.7 | L5 T6 I12 N13 | L5-Q9 WeakPolarHBondContact O-CB 3.16Å; L5-Q9 PolarHBondContact O-N 2.86Å; T6-Q9 WeakPolarHBondContact O-CB 3.45Å; T6-Q9 PolarHBondContact O-N 3.29Å; T6-Q9 VanDerWaalsContact O-N 3.1Å; Q9-I12 PolarHBondContact O-N 3.42Å; Q9-N13 VanDerWaalsContact O-CG 3.3Å; Q9-N13 PolarHBondContact O-N 3.46Å; Q9-N13 PolarHBondContact O-ND2 2.95Å |
| 10 | D | 93.9 | Very high | 89 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.6 | -68.3 | -23.1 | 0 | 0 | 0 | 111.5 | T6 E7 L8 I12 N13 L14 | T6-D10 PolarHBondContact O-N 3.01Å; E7-D10 PolarHBondContact O-N 3.11Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-D10 PolarHBondContact O-N 3.44Å; D10-I12 VanDerWaalsContact C-N 3.35Å; D10-I12 PolarHBondContact O-N 2.92Å; D10-N13 PolarHBondContact O-N 3.02Å; D10-L14 WeakPolarHBondContact O-CB 3.41Å; D10-L14 PolarHBondContact O-N 2.86Å |
| 11 | A | 92.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 3% | 0.025 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E7 L8 Q15 L76 L79 | E7-A11 WeakPolarHBondContact O-CB 3.32Å; E7-A11 PolarHBondContact O-N 3.49Å; L8-A11 PolarHBondContact O-N 3.2Å; A11-Q15 WeakPolarHBondContact O-CB 3.44Å; A11-Q15 PolarHBondContact O-N 2.9Å; A11-L76 HydrophobicContact CB-CD2 3.47Å; A11-L76 VanDerWaalsContact CB-CD2 3.47Å; A11-L76 HydrophobicContact CB-CG 4.22Å; A11-L79 HydrophobicContact CB-CD1 3.95Å |
| 12 | I | 94.8 | Very high | 90.8 | Very high | 89 Ų | 89 | 70.7 Ų | 70.7 | 46% | 0.456 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66 | -44 | 174.7 | -71 | 168.2 | 0 | 0 | 0 | 110.5 | L8 Q9 D10 Q15 A16 L76 | L8-I12 HydrophobicContact CG-CD1 4.1Å; L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.42Å; L8-I12 PolarHBondContact O-N 2.92Å; Q9-I12 PolarHBondContact O-N 3.42Å; D10-I12 VanDerWaalsContact C-N 3.35Å; D10-I12 PolarHBondContact O-N 2.92Å; I12-Q15 WeakPolarHBondContact O-CB 3.49Å; I12-Q15 PolarHBondContact O-N 3.44Å; I12-A16 PolarHBondContact O-N 3.25Å; I12-L76 HydrophobicContact CG1-CD2 3.62Å |
| 13 | N | 95 | Very high | 92 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 176.9 | -70.7 | -26.2 | 0 | 0 | 0 | 110.9 | Q9 D10 Q15 A16 E17 | Q9-N13 VanDerWaalsContact O-CG 3.3Å; Q9-N13 PolarHBondContact O-N 3.46Å; Q9-N13 PolarHBondContact O-ND2 2.95Å; D10-N13 PolarHBondContact O-N 3.02Å; N13-Q15 VanDerWaalsContact C-N 3.3Å; N13-Q15 PolarHBondContact O-N 3.18Å; N13-A16 WeakPolarHBondContact O-CB 3.34Å; N13-A16 PolarHBondContact O-N 3.48Å; N13-A16 VanDerWaalsContact O-N 3.12Å; N13-E17 WeakPolarHBondContact O-CG 3.3Å; N13-E17 PolarHBondContact O-N 2.71Å |
| 14 | L | 94.1 | Very high | 92.3 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 176.2 | -178.3 | 63.3 | 0 | 0 | 0 | 112.1 | D10 A16 E17 N18 T72 | D10-L14 WeakPolarHBondContact O-CB 3.41Å; D10-L14 PolarHBondContact O-N 2.86Å; L14-A16 VanDerWaalsContact C-N 3.34Å; L14-A16 PolarHBondContact O-N 2.75Å; L14-E17 PolarHBondContact O-N 2.75Å; L14-N18 WeakPolarHBondContact O-CB 3.41Å; L14-N18 VanDerWaalsContact O-CG 3.29Å; L14-N18 PolarHBondContact O-N 3.42Å; L14-N18 PolarHBondContact O-ND2 3.46Å; L14-T72 HydrophobicContact CD2-CG2 3.75Å; L14-T72 HydrophobicContact CG-CG2 4.04Å |
| 15 | Q | 95.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 63.8 Ų | 63.8 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 174.7 | -178 | 69.2 | 49.4 | 0 | 0 | 111.5 | A11 I12 N13 N18 L19 I69 T72 L76 | A11-Q15 WeakPolarHBondContact O-CB 3.44Å; A11-Q15 PolarHBondContact O-N 2.9Å; I12-Q15 WeakPolarHBondContact O-CB 3.49Å; I12-Q15 PolarHBondContact O-N 3.44Å; N13-Q15 VanDerWaalsContact C-N 3.3Å; N13-Q15 PolarHBondContact O-N 3.18Å; Q15-N18 PolarHBondContact O-N 2.91Å; Q15-L19 HydrophobicContact CG-CD1 4.34Å; Q15-L19 WeakPolarHBondContact O-CG 3.44Å; Q15-L19 PolarHBondContact O-N 3Å; Q15-I69 VanDerWaalsContact NE2-CG2 3.32Å; Q15-I69 PolarHBondContact OE1-O 3.38Å; Q15-T72 PolarHBondContact OE1-OG1 2.97Å; Q15-L76 HydrophobicContact CB-CD1 4.2Å; Q15-L76 HydrophobicContact CG-CD1 4.21Å |
| 16 | A | 95.7 | Very high | 92.5 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | I12 N13 L14 L19 C20 | I12-A16 PolarHBondContact O-N 3.25Å; N13-A16 WeakPolarHBondContact O-CB 3.34Å; N13-A16 PolarHBondContact O-N 3.48Å; N13-A16 VanDerWaalsContact O-N 3.12Å; L14-A16 VanDerWaalsContact C-N 3.34Å; L14-A16 PolarHBondContact O-N 2.75Å; A16-L19 PolarHBondContact O-N 2.9Å; A16-C20 WeakPolarHBondContact O-CB 3.48Å; A16-C20 PolarHBondContact O-N 3.43Å; A16-C20 PolarHBondContact O-SG 2.95Å; A16-C20 VanDerWaalsContact O-SG 3.37Å |
| 17 | E | 94.7 | Very high | 92.4 | Very high | 113 Ų | 113 | 65.9 Ų | 65.9 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 174.3 | -72.2 | 179 | -168.6 | 0 | 0 | 111.8 | N13 L14 L19 C20 N21 | N13-E17 WeakPolarHBondContact O-CG 3.3Å; N13-E17 PolarHBondContact O-N 2.71Å; L14-E17 PolarHBondContact O-N 2.75Å; E17-L19 VanDerWaalsContact C-N 3.3Å; E17-L19 PolarHBondContact O-N 3.47Å; E17-C20 PolarHBondContact O-N 3.33Å; E17-N21 VanDerWaalsContact O-CB 3.23Å; E17-N21 WeakPolarHBondContact O-CB 3.5Å; E17-N21 PolarHBondContact O-N 2.94Å; E17-N21 PolarHBondContact O-ND2 3.41Å |
| 18 | N | 92.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 177.1 | -77 | -22.2 | 0 | 0 | 0 | 112 | L14 Q15 A22 I69 T72 | L14-N18 WeakPolarHBondContact O-CB 3.41Å; L14-N18 VanDerWaalsContact O-CG 3.29Å; L14-N18 PolarHBondContact O-N 3.42Å; L14-N18 PolarHBondContact O-ND2 3.46Å; Q15-N18 PolarHBondContact O-N 2.91Å; N18-A22 WeakPolarHBondContact O-CB 3.17Å; N18-A22 PolarHBondContact O-N 3.47Å; N18-I69 HydrophobicContact CB-CG1 4.03Å; N18-T72 WeakPolarHBondContact ND2-CG2 3.43Å |
| 19 | L | 94.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 72 Ų | 72 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 177.5 | -73 | 168.2 | 0 | 0 | 0 | 112 | Q15 A16 E17 A22 I23 I69 | Q15-L19 HydrophobicContact CG-CD1 4.34Å; Q15-L19 WeakPolarHBondContact O-CG 3.44Å; Q15-L19 PolarHBondContact O-N 3Å; A16-L19 PolarHBondContact O-N 2.9Å; E17-L19 VanDerWaalsContact C-N 3.3Å; E17-L19 PolarHBondContact O-N 3.47Å; L19-A22 PolarHBondContact O-N 3.27Å; L19-I23 WeakPolarHBondContact O-CD1 3.35Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 3.44Å; L19-I69 HydrophobicContact CD2-CD1 3.76Å; L19-I69 HydrophobicContact CD2-CG1 4.27Å; L19-I69 HydrophobicContact CD2-CG2 4.35Å; L19-I69 HydrophobicContact CG-CD1 4.5Å |
| 20 | C | 94.3 | Very high | 90.8 | Very high | 86 Ų | 86 | 69.5 Ų | 69.5 | 58% | 0.581 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 178.4 | -73.7 | 0 | 0 | 0 | 0 | 111.9 | A16 E17 I23 G24 | A16-C20 WeakPolarHBondContact O-CB 3.48Å; A16-C20 PolarHBondContact O-N 3.43Å; A16-C20 PolarHBondContact O-SG 2.95Å; A16-C20 VanDerWaalsContact O-SG 3.37Å; E17-C20 PolarHBondContact O-N 3.33Å; C20-I23 PolarHBondContact O-N 2.88Å; C20-G24 PolarHBondContact O-N 3.27Å |
| 21 | N | 92.5 | Very high | 89.6 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176.9 | -70.2 | -25.3 | 0 | 0 | 0 | 111.2 | E17 G24 V25 F65 | E17-N21 VanDerWaalsContact O-CB 3.23Å; E17-N21 WeakPolarHBondContact O-CB 3.5Å; E17-N21 PolarHBondContact O-N 2.94Å; E17-N21 PolarHBondContact O-ND2 3.41Å; N21-G24 PolarHBondContact O-N 2.94Å; N21-V25 WeakPolarHBondContact O-CB 3.32Å; N21-V25 VanDerWaalsContact O-CG2 3.31Å; N21-V25 WeakPolarHBondContact O-CG2 3.36Å; N21-V25 PolarHBondContact O-N 2.92Å; N21-F65 HydrophobicContact CB-CE1 3.95Å; N21-F65 HydrophobicContact CB-CZ 4.35Å |
| 22 | A | 91.6 | Very high | 88.5 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N18 L19 G24 I26 F65 I69 | N18-A22 WeakPolarHBondContact O-CB 3.17Å; N18-A22 PolarHBondContact O-N 3.47Å; L19-A22 PolarHBondContact O-N 3.27Å; A22-G24 PolarHBondContact O-N 2.94Å; A22-I26 HydrophobicContact CB-CD1 4.42Å; A22-I26 WeakPolarHBondContact O-CB 3.38Å; A22-I26 WeakPolarHBondContact O-CD1 3.42Å; A22-I26 WeakPolarHBondContact O-CG1 3.47Å; A22-I26 PolarHBondContact O-N 3.25Å; A22-F65 HydrophobicContact CB-CB 3.7Å; A22-F65 HydrophobicContact CB-CD1 3.68Å; A22-F65 HydrophobicContact CB-CD2 4.03Å; A22-F65 HydrophobicContact CB-CE1 4.29Å; A22-F65 HydrophobicContact CB-CG 3.54Å; A22-I69 HydrophobicContact CB-CD1 4.2Å |
| 23 | I | 91.4 | Very high | 87.1 | Confident | 94 Ų | 94 | 73.1 Ų | 73.1 | 48% | 0.482 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 178.2 | -70.3 | 161.4 | 0 | 0 | 0 | 110.6 | L19 C20 V25 I26 Q27 | L19-I23 WeakPolarHBondContact O-CD1 3.35Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 3.44Å; C20-I23 PolarHBondContact O-N 2.88Å; I23-V25 PolarHBondContact O-N 3.34Å; I23-I26 PolarHBondContact O-N 3.34Å; I23-Q27 HydrophobicContact CG2-CG 4.35Å; I23-Q27 WeakPolarHBondContact O-CB 3.3Å; I23-Q27 VanDerWaalsContact O-CG 3.25Å; I23-Q27 WeakPolarHBondContact O-CG 3.33Å; I23-Q27 PolarHBondContact O-N 2.95Å |
| 24 | G | 90.5 | Very high | 85.5 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 27% | 0.268 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C20 N21 A22 Q28 | C20-G24 PolarHBondContact O-N 3.27Å; N21-G24 PolarHBondContact O-N 2.94Å; A22-G24 PolarHBondContact O-N 2.94Å; G24-Q28 VanDerWaalsContact O-CG 3.29Å; G24-Q28 WeakPolarHBondContact O-CG 3.38Å; G24-Q28 PolarHBondContact O-N 3.34Å; G24-Q28 VanDerWaalsContact O-N 3.16Å |
| 25 | V | 88.9 | Confident | 84.1 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 28% | 0.279 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 179.4 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | N21 I23 Q27 Q28 V29 I61 F65 | N21-V25 WeakPolarHBondContact O-CB 3.32Å; N21-V25 VanDerWaalsContact O-CG2 3.31Å; N21-V25 WeakPolarHBondContact O-CG2 3.36Å; N21-V25 PolarHBondContact O-N 2.92Å; I23-V25 PolarHBondContact O-N 3.34Å; V25-Q27 VanDerWaalsContact C-N 3.28Å; V25-Q27 PolarHBondContact O-N 2.96Å; V25-Q28 PolarHBondContact O-N 3.31Å; V25-Q28 VanDerWaalsContact O-N 3.09Å; V25-V29 HydrophobicContact CG1-CG1 4.41Å; V25-V29 WeakPolarHBondContact O-CG2 3.45Å; V25-V29 PolarHBondContact O-N 3.46Å; V25-I61 HydrophobicContact CG1-CG2 3.63Å; V25-F65 HydrophobicContact CB-CE2 3.83Å; V25-F65 HydrophobicContact CB-CZ 4.15Å; V25-F65 HydrophobicContact CG1-CE2 4.02Å; V25-F65 HydrophobicContact CG2-CE2 4.16Å; V25-F65 HydrophobicContact CG2-CZ 3.98Å |
| 26 | I | 85.9 | Confident | 82.4 | Confident | 73 Ų | 73 | 81.9 Ų | 81.9 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 179.6 | -70.2 | 167.1 | 0 | 0 | 0 | 110.4 | A22 I23 Q28 V29 A30 | A22-I26 HydrophobicContact CB-CD1 4.42Å; A22-I26 WeakPolarHBondContact O-CB 3.38Å; A22-I26 WeakPolarHBondContact O-CD1 3.42Å; A22-I26 WeakPolarHBondContact O-CG1 3.47Å; A22-I26 PolarHBondContact O-N 3.25Å; I23-I26 PolarHBondContact O-N 3.34Å; I26-Q28 PolarHBondContact O-N 2.97Å; I26-V29 PolarHBondContact O-N 3.39Å; I26-A30 WeakPolarHBondContact O-CA 3.48Å; I26-A30 WeakPolarHBondContact O-CB 3.37Å; I26-A30 PolarHBondContact O-N 2.98Å |
| 27 | Q | 86.9 | Confident | 80.8 | Confident | 143 Ų | 143 | 86.5 Ų | 86.5 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.1 | -36.4 | 176.2 | -75 | 177.2 | -9.1 | 0 | 0 | 113.1 | I23 V25 | I23-Q27 HydrophobicContact CG2-CG 4.35Å; I23-Q27 WeakPolarHBondContact O-CB 3.3Å; I23-Q27 VanDerWaalsContact O-CG 3.25Å; I23-Q27 WeakPolarHBondContact O-CG 3.33Å; I23-Q27 PolarHBondContact O-N 2.95Å; V25-Q27 VanDerWaalsContact C-N 3.28Å; V25-Q27 PolarHBondContact O-N 2.96Å |
| 28 | Q | 85 | Confident | 79 | Confident | 164 Ų | 164 | 87.5 Ų | 87.5 | 77% | 0.766 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.2 | -36.4 | 177.9 | -74.4 | 174 | 7.7 | 0 | 0 | 112.8 | G24 V25 I26 | G24-Q28 VanDerWaalsContact O-CG 3.29Å; G24-Q28 WeakPolarHBondContact O-CG 3.38Å; G24-Q28 PolarHBondContact O-N 3.34Å; G24-Q28 VanDerWaalsContact O-N 3.16Å; V25-Q28 PolarHBondContact O-N 3.31Å; V25-Q28 VanDerWaalsContact O-N 3.09Å; I26-Q28 PolarHBondContact O-N 2.97Å |
| 29 | V | 81.7 | Confident | 77.4 | Confident | 49 Ų | 49 | 92 Ų | 92 | 30% | 0.297 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -94.1 | -8.6 | -179.3 | -54 | 0 | 0 | 0 | 0 | 113.3 | V25 I26 Q31 T58 I61 | V25-V29 HydrophobicContact CG1-CG1 4.41Å; V25-V29 WeakPolarHBondContact O-CG2 3.45Å; V25-V29 PolarHBondContact O-N 3.46Å; I26-V29 PolarHBondContact O-N 3.39Å; V29-Q31 PolarHBondContact O-N 3.1Å; V29-T58 HydrophobicContact CB-CG2 4.24Å; V29-T58 HydrophobicContact CG2-CG2 3.96Å; V29-I61 HydrophobicContact CG1-CD1 4.28Å |
| 30 | A | 74.9 | Confident | 75.7 | Confident | 60 Ų | 60 | 93.4 Ų | 93.4 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | trans | -60 | 113.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | I26 | I26-A30 WeakPolarHBondContact O-CA 3.48Å; I26-A30 WeakPolarHBondContact O-CB 3.37Å; I26-A30 PolarHBondContact O-N 2.98Å | ||
| 31 | Q | 69.7 | Low | 74 | Confident | 80 Ų | 80 | 93 Ų | 93 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 139.3 | 168.7 | -64.9 | -175.5 | 5.1 | 0 | 0 | 108.7 | V29 S33 F52 | V29-Q31 PolarHBondContact O-N 3.1Å; Q31-S33 PolarHBondContact O-N 3.04Å; Q31-S33 VanDerWaalsContact O-N 3.16Å; Q31-F52 PolarHBondContact NE2-O 3.06Å |
| 32 | P | 69.8 | Low | 72.5 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 47% | 0.468 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 125.8 | 172.8 | -22 | 30.9 | 0 | 0 | 0 | 109.7 | F34 | P32-F34 HydrophobicContact CB-CE1 4.29Å; P32-F34 HydrophobicContact CB-CE2 3.99Å; P32-F34 HydrophobicContact CB-CZ 3.77Å; P32-F34 HydrophobicContact CG-CZ 4.27Å; P32-F34 WeakPolarHBondContact O-CD2 3.4Å; P32-F34 WeakPolarHBondContact O-CE2 3.4Å; P32-F34 PolarHBondContact O-N 3.36Å |
| 33 | S | 65.7 | Low | 70.9 | Confident | 109 Ų | 109 | 97.2 Ų | 97.2 | 76% | 0.762 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 123.3 | 173.1 | -65 | 0 | 0 | 0 | 0 | 108.8 | Q31 | Q31-S33 PolarHBondContact O-N 3.04Å; Q31-S33 VanDerWaalsContact O-N 3.16Å |
| 34 | F | 59.6 | Low | 69.3 | Low | 84 Ų | 84 | 94.2 Ų | 94.2 | 37% | 0.368 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 117.4 | 177.6 | -58.8 | -83.6 | 0 | 0 | 0 | 109 | P32 W40 Y49 | P32-F34 HydrophobicContact CB-CE1 4.29Å; P32-F34 HydrophobicContact CB-CE2 3.99Å; P32-F34 HydrophobicContact CB-CZ 3.77Å; P32-F34 HydrophobicContact CG-CZ 4.27Å; P32-F34 WeakPolarHBondContact O-CD2 3.4Å; P32-F34 WeakPolarHBondContact O-CE2 3.4Å; P32-F34 PolarHBondContact O-N 3.36Å; F34-W40 HydrophobicContact CB-CE3 4Å; F34-W40 HydrophobicContact CB-CZ3 4.01Å; F34-W40 HydrophobicContact CD1-CE3 4.11Å; F34-W40 AromaticContact CD1-CZ3 3.86Å; F34-W40 HydrophobicContact CD1-CZ3 3.86Å; F34-W40 HydrophobicContact CD2-CE3 4.04Å; F34-W40 AromaticContact CD2-CH2 3.81Å; F34-W40 HydrophobicContact CD2-CH2 3.81Å; F34-W40 AromaticContact CD2-CZ3 3.19Å; F34-W40 HydrophobicContact CD2-CZ3 3.19Å; F34-W40 HydrophobicContact CE1-CZ3 4.09Å; F34-W40 AromaticContact CE2-CH2 3.97Å; F34-W40 HydrophobicContact CE2-CH2 3.97Å; F34-W40 AromaticContact CE2-CZ3 3.46Å; F34-W40 HydrophobicContact CE2-CZ3 3.46Å; F34-W40 VanDerWaalsContact CE2-CZ3 3.46Å; F34-W40 AromaticContact CG-CE3 3.78Å; F34-W40 HydrophobicContact CG-CE3 3.78Å; F34-W40 HydrophobicContact CG-CH2 4.4Å; F34-W40 AromaticContact CG-CZ3 3.4Å; F34-W40 HydrophobicContact CG-CZ3 3.4Å; F34-W40 VanDerWaalsContact CG-CZ3 3.4Å; F34-W40 AromaticContact CZ-CZ3 3.9Å; F34-W40 HydrophobicContact CZ-CZ3 3.9Å; F34-Y49 HydrophobicContact CZ-CD1 4.23Å; F34-Y49 HydrophobicContact CZ-CE1 4.48Å |
| 35 | F | 65.7 | Low | 67.8 | Low | 160 Ų | 160 | 96.3 Ų | 96.3 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 137.8 | 168 | -64.2 | -81.2 | 0 | 0 | 0 | 109 | D37 F38 | F35-D37 PolarHBondContact O-N 3.21Å; F35-F38 PolarHBondContact O-N 3.49Å; F35-F38 VanDerWaalsContact O-N 3.13Å |
| 36 | S | 60.2 | Low | 66.6 | Low | 116 Ų | 116 | 99 Ų | 99 | 81% | 0.811 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.8 | -179 | 45.3 | 0 | 0 | 0 | 0 | 114 | F38 | S36-F38 PolarHBondContact O-N 2.94Š|
| 37 | D | 60.6 | Low | 65.4 | Low | 145 Ų | 145 | 100.4 Ų | 100.4 | 78% | 0.775 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -9 | -177.1 | -55.9 | -29.9 | 0 | 0 | 0 | 113.6 | F35 | F35-D37 PolarHBondContact O-N 3.21Š|
| 38 | F | 58.7 | Low | 64.3 | Low | 135 Ų | 135 | 98.3 Ų | 98.3 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -104 | 101.9 | -179 | -109.5 | -84.1 | 0 | 0 | 0 | 111.5 | F35 S36 W40 R43 | F35-F38 PolarHBondContact O-N 3.49Å; F35-F38 VanDerWaalsContact O-N 3.13Å; S36-F38 PolarHBondContact O-N 2.94Å; F38-W40 VanDerWaalsContact C-N 3.35Å; F38-W40 WeakPolarHBondContact O-CA 3.46Å; F38-W40 PolarHBondContact O-N 3.47Å; F38-R43 VanDerWaalsContact CE1-NH2 3.34Å |
| 39 | N | 57.2 | Low | 63.1 | Low | 120 Ų | 120 | 93.4 Ų | 93.4 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | trans | -17.2 | 78.5 | 173.9 | -161.1 | -7.8 | 0 | 0 | 0 | 115.7 | ||||
| 40 | W | 59.4 | Low | 61.9 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | trans | -79.3 | -37.9 | -165.9 | 167.3 | -102.5 | 0 | 0 | 0 | 113.1 | F34 F38 S42 R43 S44 I53 | F34-W40 HydrophobicContact CB-CE3 4Å; F34-W40 HydrophobicContact CB-CZ3 4.01Å; F34-W40 HydrophobicContact CD1-CE3 4.11Å; F34-W40 AromaticContact CD1-CZ3 3.86Å; F34-W40 HydrophobicContact CD1-CZ3 3.86Å; F34-W40 HydrophobicContact CD2-CE3 4.04Å; F34-W40 AromaticContact CD2-CH2 3.81Å; F34-W40 HydrophobicContact CD2-CH2 3.81Å; F34-W40 AromaticContact CD2-CZ3 3.19Å; F34-W40 HydrophobicContact CD2-CZ3 3.19Å; F34-W40 HydrophobicContact CE1-CZ3 4.09Å; F34-W40 AromaticContact CE2-CH2 3.97Å; F34-W40 HydrophobicContact CE2-CH2 3.97Å; F34-W40 AromaticContact CE2-CZ3 3.46Å; F34-W40 HydrophobicContact CE2-CZ3 3.46Å; F34-W40 VanDerWaalsContact CE2-CZ3 3.46Å; F34-W40 AromaticContact CG-CE3 3.78Å; F34-W40 HydrophobicContact CG-CE3 3.78Å; F34-W40 HydrophobicContact CG-CH2 4.4Å; F34-W40 AromaticContact CG-CZ3 3.4Å; F34-W40 HydrophobicContact CG-CZ3 3.4Å; F34-W40 VanDerWaalsContact CG-CZ3 3.4Å; F34-W40 AromaticContact CZ-CZ3 3.9Å; F34-W40 HydrophobicContact CZ-CZ3 3.9Å; F38-W40 VanDerWaalsContact C-N 3.35Å; F38-W40 WeakPolarHBondContact O-CA 3.46Å; F38-W40 PolarHBondContact O-N 3.47Å; W40-S42 PolarHBondContact O-N 3.18Å; W40-R43 PolarHBondContact O-N 3.07Å; W40-S44 PolarHBondContact O-N 3.41Å; W40-S44 PolarHBondContact O-OG 3.33Å; W40-I53 HydrophobicContact CH2-CD1 4.15Å; W40-I53 HydrophobicContact CZ2-CD1 4.26Å | ||
| 41 | A | 59.1 | Low | 61.2 | Low | 76 Ų | 76 | 96.8 Ų | 96.8 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S44 | A41-S44 PolarHBondContact O-OG 3Š|
| 42 | S | 60.3 | Low | 60.5 | Low | 83 Ų | 83 | 99.2 Ų | 99.2 | 58% | 0.58 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -21.5 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 114.4 | W40 | W40-S42 PolarHBondContact O-N 3.18Š|
| 43 | R | 57.7 | Low | 59.8 | Low | 99 Ų | 99 | 99.8 Ų | 99.8 | 37% | 0.374 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -32.9 | 178.9 | -65.4 | -162.2 | -147.3 | -179.4 | 7.5 | 112.8 | F38 W40 A45 K46 Y49 | F38-R43 VanDerWaalsContact CE1-NH2 3.34Å; W40-R43 PolarHBondContact O-N 3.07Å; R43-A45 PolarHBondContact O-N 2.87Å; R43-A45 VanDerWaalsContact O-N 3.13Å; R43-K46 PolarHBondContact O-N 3.31Å; R43-K46 VanDerWaalsContact O-N 3.08Å; R43-Y49 HydrophobicContact CB-CD2 4.29Å; R43-Y49 HydrophobicContact CB-CE2 4.22Å; R43-Y49 WeakPolarHBondContact O-CD2 3.38Å |
| 44 | S | 57.2 | Low | 59.2 | Low | 31 Ų | 31 | 102.7 Ų | 102.7 | 22% | 0.217 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18 | 176.4 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | W40 A41 | W40-S44 PolarHBondContact O-N 3.41Å; W40-S44 PolarHBondContact O-OG 3.33Å; A41-S44 PolarHBondContact O-OG 3Å |
| 45 | A | 59.5 | Low | 59 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -11.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | R43 | R43-A45 PolarHBondContact O-N 2.87Å; R43-A45 VanDerWaalsContact O-N 3.13Å |
| 46 | K | 64.1 | Low | 58.6 | Low | 103 Ų | 103 | 100.6 Ų | 100.6 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -81.3 | 132.6 | 175.1 | -61.5 | -174.2 | 175.5 | 178 | 0 | 109.8 | R43 E48 Y49 Q50 | R43-K46 PolarHBondContact O-N 3.31Å; R43-K46 VanDerWaalsContact O-N 3.08Å; K46-E48 HydrophobicContact CB-CG 3.77Å; K46-E48 HydrophobicContact CD-CG 4.18Å; K46-E48 WeakPolarHBondContact CD-OE1 3.49Å; K46-E48 IonicContact NZ-OE1 2.93Å; K46-E48 PolarHBondContact NZ-OE1 2.9Å; K46-E48 PolarHBondContact O-N 3.49Å; K46-Y49 HydrophobicContact CB-CD2 4.05Å; K46-Y49 HydrophobicContact CD-CD2 4.49Å; K46-Y49 HydrophobicContact CD-CE2 4.2Å; K46-Y49 PolarHBondContact O-N 3.35Å; K46-Q50 PolarHBondContact O-N 3.07Å |
| 47 | P | 61.7 | Low | 58.7 | Low | 102 Ų | 102 | 98.8 Ų | 98.8 | 66% | 0.662 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.8 | -25.4 | -177.1 | 21.9 | -31.6 | 0 | 0 | 0 | 112.7 | Y49 Q50 A51 | P47-Y49 VanDerWaalsContact C-N 3.33Å; P47-Y49 PolarHBondContact O-N 2.94Å; P47-Q50 PolarHBondContact O-N 2.89Å; P47-A51 PolarHBondContact O-N 3.27Å |
| 48 | E | 63 | Low | 59 | Low | 99 Ų | 99 | 94.3 Ų | 94.3 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -39.2 | 173.9 | 62.8 | -167.6 | -176.8 | 0 | 0 | 112.9 | K46 F52 | K46-E48 HydrophobicContact CB-CG 3.77Å; K46-E48 HydrophobicContact CD-CG 4.18Å; K46-E48 WeakPolarHBondContact CD-OE1 3.49Å; K46-E48 IonicContact NZ-OE1 2.93Å; K46-E48 PolarHBondContact NZ-OE1 2.9Å; K46-E48 PolarHBondContact O-N 3.49Å; E48-F52 WeakPolarHBondContact O-CD2 3.48Å; E48-F52 WeakPolarHBondContact O-CE2 3.41Å |
| 49 | Y | 59.8 | Low | 59.6 | Low | 62 Ų | 62 | 92.6 Ų | 92.6 | 24% | 0.243 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -84.8 | -27.5 | 178.8 | -64.7 | -73.4 | 0 | 0 | 0 | 112.9 | F34 R43 K46 P47 F52 I53 | F34-Y49 HydrophobicContact CZ-CD1 4.23Å; F34-Y49 HydrophobicContact CZ-CE1 4.48Å; R43-Y49 HydrophobicContact CB-CD2 4.29Å; R43-Y49 HydrophobicContact CB-CE2 4.22Å; R43-Y49 WeakPolarHBondContact O-CD2 3.38Å; K46-Y49 HydrophobicContact CB-CD2 4.05Å; K46-Y49 HydrophobicContact CD-CD2 4.49Å; K46-Y49 HydrophobicContact CD-CE2 4.2Å; K46-Y49 PolarHBondContact O-N 3.35Å; P47-Y49 VanDerWaalsContact C-N 3.33Å; P47-Y49 PolarHBondContact O-N 2.94Å; Y49-F52 PolarHBondContact O-N 3.43Å; Y49-I53 PolarHBondContact O-N 3.17Å |
| 50 | Q | 56.8 | Low | 60.9 | Low | 112 Ų | 112 | 91.4 Ų | 91.4 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.9 | -31 | -179.2 | -137.2 | 161.1 | 19.9 | 0 | 0 | 112.4 | K46 P47 F52 I53 | K46-Q50 PolarHBondContact O-N 3.07Å; P47-Q50 PolarHBondContact O-N 2.89Å; Q50-F52 VanDerWaalsContact C-N 3.34Å; Q50-I53 PolarHBondContact O-N 3.02Å |
| 51 | A | 59.2 | Low | 62 | Low | 67 Ų | 67 | 87.8 Ų | 87.8 | 55% | 0.554 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -33.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P47 | P47-A51 PolarHBondContact O-N 3.27Å |
| 52 | F | 55.9 | Low | 63.3 | Low | 131 Ų | 131 | 86 Ų | 86 | 58% | 0.575 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.8 | -30.4 | 176.4 | -74.6 | -72.7 | 0 | 0 | 0 | 112.9 | Q31 E48 Y49 Q50 Q54 | Q31-F52 PolarHBondContact NE2-O 3.06Å; E48-F52 WeakPolarHBondContact O-CD2 3.48Å; E48-F52 WeakPolarHBondContact O-CE2 3.41Å; Y49-F52 PolarHBondContact O-N 3.43Å; Q50-F52 VanDerWaalsContact C-N 3.34Å; F52-Q54 VanDerWaalsContact C-N 3.31Å; F52-Q54 PolarHBondContact O-N 3.48Å |
| 53 | I | 54.2 | Low | 64.7 | Low | 85 Ų | 85 | 89.7 Ų | 89.7 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.4 | -26 | -179.9 | -64.4 | 175.2 | 0 | 0 | 0 | 112.1 | W40 Y49 Q50 | W40-I53 HydrophobicContact CH2-CD1 4.15Å; W40-I53 HydrophobicContact CZ2-CD1 4.26Å; Y49-I53 PolarHBondContact O-N 3.17Å; Q50-I53 PolarHBondContact O-N 3.02Å |
| 54 | Q | 54.3 | Low | 66.2 | Low | 170 Ų | 170 | 88.9 Ų | 88.9 | 79% | 0.794 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -3.4 | -178.9 | -71.8 | -174.8 | -15.8 | 0 | 0 | 114.4 | F52 Q56 | F52-Q54 VanDerWaalsContact C-N 3.31Å; F52-Q54 PolarHBondContact O-N 3.48Å; Q54-Q56 PolarHBondContact O-N 2.87Å |
| 55 | A | 55.4 | Low | 67.9 | Low | 57 Ų | 57 | 89.2 Ų | 89.2 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -76.7 | 115.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 56 | Q | 56.2 | Low | 69.4 | Low | 143 Ų | 143 | 88.6 Ų | 88.6 | 67% | 0.668 | 48% | 0.475 | S | S | * | . | trans | 22.9 | 136.2 | 159 | -139.3 | 162.6 | -57 | 0 | 0 | 118.7 | Q54 T58 | Q54-Q56 PolarHBondContact O-N 2.87Å; Q56-T58 PolarHBondContact O-N 3.32Å | ||
| 57 | P | 62 | Low | 70.9 | Confident | 78 Ų | 78 | 88.7 Ų | 88.7 | 51% | 0.506 | 48% | 0.484 | S | S | . | . | trans | -59.4 | 99.9 | -179.8 | 25.6 | -34.1 | 0 | 0 | 0 | 110.6 | D59 D60 | P57-D59 PolarHBondContact O-N 3.23Å; P57-D60 HydrophobicContact CG-CB 4.41Å; P57-D60 WeakPolarHBondContact CG-OD2 3.39Å; P57-D60 PolarHBondContact O-N 3.03Å | ||
| 58 | T | 67.2 | Low | 72.3 | Confident | 51 Ų | 51 | 85.3 Ų | 85.3 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -54.3 | -28.4 | 177.7 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | V29 Q56 D60 I61 A62 | V29-T58 HydrophobicContact CB-CG2 4.24Å; V29-T58 HydrophobicContact CG2-CG2 3.96Å; Q56-T58 PolarHBondContact O-N 3.32Å; T58-D60 PolarHBondContact O-N 3.31Å; T58-I61 PolarHBondContact O-N 2.92Å; T58-A62 WeakPolarHBondContact O-CB 3.26Å; T58-A62 PolarHBondContact O-N 3.41Å |
| 59 | D | 72.3 | Confident | 73.8 | Confident | 99 Ų | 99 | 82.5 Ų | 82.5 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 178.3 | -72.6 | -1.6 | 0 | 0 | 0 | 113.2 | P57 R63 | P57-D59 PolarHBondContact O-N 3.23Å; D59-R63 VanDerWaalsContact O-CB 3.28Å; D59-R63 WeakPolarHBondContact O-CB 3.48Å; D59-R63 WeakPolarHBondContact O-CG 3.35Å; D59-R63 PolarHBondContact O-N 3.07Å |
| 60 | D | 82.5 | Confident | 75.5 | Confident | 94 Ų | 94 | 82.2 Ų | 82.2 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72.5 | -38.5 | -178.7 | -73.1 | -23.7 | 0 | 0 | 0 | 111.1 | P57 T58 R63 S64 | P57-D60 HydrophobicContact CG-CB 4.41Å; P57-D60 WeakPolarHBondContact CG-OD2 3.39Å; P57-D60 PolarHBondContact O-N 3.03Å; T58-D60 PolarHBondContact O-N 3.31Å; D60-R63 PolarHBondContact O-N 3.32Å; D60-S64 WeakPolarHBondContact O-CB 3.45Å; D60-S64 PolarHBondContact O-N 2.67Å |
| 61 | I | 84.2 | Confident | 77.2 | Confident | 32 Ų | 32 | 79.5 Ų | 79.5 | 16% | 0.164 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 176.7 | -60.7 | 174.5 | 0 | 0 | 0 | 109.9 | V25 V29 T58 R63 S64 F65 | V25-I61 HydrophobicContact CG1-CG2 3.63Å; V29-I61 HydrophobicContact CG1-CD1 4.28Å; T58-I61 PolarHBondContact O-N 2.92Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.01Å; I61-S64 PolarHBondContact O-N 3Å; I61-F65 HydrophobicContact CG2-CD2 3.79Å; I61-F65 HydrophobicContact CG2-CE2 3.58Å; I61-F65 VanDerWaalsContact O-CD2 3.24Å; I61-F65 WeakPolarHBondContact O-CD2 3.38Å; I61-F65 PolarHBondContact O-N 3.08Å |
| 62 | A | 85.8 | Confident | 78.8 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T58 F65 A66 | T58-A62 WeakPolarHBondContact O-CB 3.26Å; T58-A62 PolarHBondContact O-N 3.41Å; A62-F65 PolarHBondContact O-N 3.38Å; A62-A66 WeakPolarHBondContact O-CB 3.45Å; A62-A66 PolarHBondContact O-N 2.9Å |
| 63 | R | 89.6 | Confident | 80.6 | Confident | 159 Ų | 159 | 72.3 Ų | 72.3 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 175 | -76.4 | 173.1 | -173.6 | 169 | 5.1 | 112.2 | D59 D60 I61 F65 A66 V67 | D59-R63 VanDerWaalsContact O-CB 3.28Å; D59-R63 WeakPolarHBondContact O-CB 3.48Å; D59-R63 WeakPolarHBondContact O-CG 3.35Å; D59-R63 PolarHBondContact O-N 3.07Å; D60-R63 PolarHBondContact O-N 3.32Å; I61-R63 VanDerWaalsContact C-N 3.33Å; I61-R63 PolarHBondContact O-N 3.01Å; R63-F65 VanDerWaalsContact C-N 3.34Å; R63-F65 PolarHBondContact O-N 2.92Å; R63-A66 PolarHBondContact O-N 3.04Å; R63-V67 WeakPolarHBondContact O-CG2 3.44Å; R63-V67 PolarHBondContact O-N 3.43Å |
| 64 | S | 90.2 | Very high | 82.5 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 57% | 0.573 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.1 | -46.1 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | D60 I61 V67 A68 | D60-S64 WeakPolarHBondContact O-CB 3.45Å; D60-S64 PolarHBondContact O-N 2.67Å; I61-S64 PolarHBondContact O-N 3Å; S64-V67 PolarHBondContact O-N 3.24Å; S64-A68 PolarHBondContact O-N 3.26Å |
| 65 | F | 91.7 | Very high | 84.3 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 17% | 0.171 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 175.2 | -77.2 | -63.5 | 0 | 0 | 0 | 112.3 | N21 A22 V25 I61 A62 R63 V67 A68 I69 | N21-F65 HydrophobicContact CB-CE1 3.95Å; N21-F65 HydrophobicContact CB-CZ 4.35Å; A22-F65 HydrophobicContact CB-CB 3.7Å; A22-F65 HydrophobicContact CB-CD1 3.68Å; A22-F65 HydrophobicContact CB-CD2 4.03Å; A22-F65 HydrophobicContact CB-CE1 4.29Å; A22-F65 HydrophobicContact CB-CG 3.54Å; V25-F65 HydrophobicContact CB-CE2 3.83Å; V25-F65 HydrophobicContact CB-CZ 4.15Å; V25-F65 HydrophobicContact CG1-CE2 4.02Å; V25-F65 HydrophobicContact CG2-CE2 4.16Å; V25-F65 HydrophobicContact CG2-CZ 3.98Å; I61-F65 HydrophobicContact CG2-CD2 3.79Å; I61-F65 HydrophobicContact CG2-CE2 3.58Å; I61-F65 VanDerWaalsContact O-CD2 3.24Å; I61-F65 WeakPolarHBondContact O-CD2 3.38Å; I61-F65 PolarHBondContact O-N 3.08Å; A62-F65 PolarHBondContact O-N 3.38Å; R63-F65 VanDerWaalsContact C-N 3.34Å; R63-F65 PolarHBondContact O-N 2.92Å; F65-V67 VanDerWaalsContact C-N 3.31Å; F65-V67 PolarHBondContact O-N 3.48Å; F65-A68 PolarHBondContact O-N 3.18Å; F65-I69 WeakPolarHBondContact O-CB 3.36Å; F65-I69 WeakPolarHBondContact O-CD1 3.47Å; F65-I69 WeakPolarHBondContact O-CG1 3.38Å; F65-I69 PolarHBondContact O-N 2.9Å |
| 66 | A | 92.1 | Very high | 86.1 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A62 R63 S70 | A62-A66 WeakPolarHBondContact O-CB 3.45Å; A62-A66 PolarHBondContact O-N 2.9Å; R63-A66 PolarHBondContact O-N 3.04Å; A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.43Å; A66-S70 PolarHBondContact O-N 2.92Å |
| 67 | V | 93.9 | Very high | 87.8 | Confident | 105 Ų | 105 | 68 Ų | 68 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.3 | -46.6 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | R63 S64 F65 S70 A71 | R63-V67 WeakPolarHBondContact O-CG2 3.44Å; R63-V67 PolarHBondContact O-N 3.43Å; S64-V67 PolarHBondContact O-N 3.24Å; F65-V67 VanDerWaalsContact C-N 3.31Å; F65-V67 PolarHBondContact O-N 3.48Å; V67-S70 PolarHBondContact O-N 2.88Å; V67-A71 WeakPolarHBondContact O-CB 3.4Å; V67-A71 PolarHBondContact O-N 3.49Å |
| 68 | A | 92.6 | Very high | 89.1 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | S64 F65 S70 A71 T72 | S64-A68 PolarHBondContact O-N 3.26Å; F65-A68 PolarHBondContact O-N 3.18Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.48Å; A68-A71 PolarHBondContact O-N 2.82Å; A68-T72 PolarHBondContact O-N 3.42Å; A68-T72 PolarHBondContact O-OG1 3.32Å |
| 69 | I | 94.3 | Very high | 90.2 | Very high | 39 Ų | 39 | 65.4 Ų | 65.4 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 176.8 | -69.9 | 166.4 | 0 | 0 | 0 | 110.8 | Q15 N18 L19 A22 F65 T72 A73 | Q15-I69 VanDerWaalsContact NE2-CG2 3.32Å; Q15-I69 PolarHBondContact OE1-O 3.38Å; N18-I69 HydrophobicContact CB-CG1 4.03Å; L19-I69 HydrophobicContact CD2-CD1 3.76Å; L19-I69 HydrophobicContact CD2-CG1 4.27Å; L19-I69 HydrophobicContact CD2-CG2 4.35Å; L19-I69 HydrophobicContact CG-CD1 4.5Å; A22-I69 HydrophobicContact CB-CD1 4.2Å; F65-I69 WeakPolarHBondContact O-CB 3.36Å; F65-I69 WeakPolarHBondContact O-CD1 3.47Å; F65-I69 WeakPolarHBondContact O-CG1 3.38Å; F65-I69 PolarHBondContact O-N 2.9Å; I69-T72 WeakPolarHBondContact CA-OG1 3.41Å; I69-T72 PolarHBondContact O-OG1 2.85Å; I69-T72 VanDerWaalsContact O-OG1 3.11Å; I69-A73 VanDerWaalsContact O-CB 3.3Å; I69-A73 WeakPolarHBondContact O-CB 3.4Å; I69-A73 PolarHBondContact O-N 3.32Å |
| 70 | S | 94.6 | Very high | 91 | Very high | 56 Ų | 56 | 65.2 Ų | 65.2 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | A66 V67 A68 K74 | A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.43Å; A66-S70 PolarHBondContact O-N 2.92Å; V67-S70 PolarHBondContact O-N 2.88Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3.48Å; S70-K74 WeakPolarHBondContact O-CG 3.41Å; S70-K74 PolarHBondContact O-N 2.84Å |
| 71 | A | 93 | Very high | 91.2 | Very high | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | V67 A68 K74 Q75 | V67-A71 WeakPolarHBondContact O-CB 3.4Å; V67-A71 PolarHBondContact O-N 3.49Å; A68-A71 PolarHBondContact O-N 2.82Å; A71-K74 PolarHBondContact O-N 3.33Å; A71-Q75 PolarHBondContact O-N 3.21Å |
| 72 | T | 92.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 177.2 | 46.8 | 0 | 0 | 0 | 0 | 112 | L14 Q15 N18 A68 I69 K74 Q75 L76 | L14-T72 HydrophobicContact CD2-CG2 3.75Å; L14-T72 HydrophobicContact CG-CG2 4.04Å; Q15-T72 PolarHBondContact OE1-OG1 2.97Å; N18-T72 WeakPolarHBondContact ND2-CG2 3.43Å; A68-T72 PolarHBondContact O-N 3.42Å; A68-T72 PolarHBondContact O-OG1 3.32Å; I69-T72 WeakPolarHBondContact CA-OG1 3.41Å; I69-T72 PolarHBondContact O-OG1 2.85Å; I69-T72 VanDerWaalsContact O-OG1 3.11Å; T72-K74 PolarHBondContact O-N 3.45Å; T72-Q75 WeakPolarHBondContact O-CB 3.29Å; T72-Q75 PolarHBondContact O-N 3.25Å; T72-L76 WeakPolarHBondContact O-CG 3.48Å; T72-L76 PolarHBondContact O-N 2.94Å |
| 73 | A | 93.9 | Very high | 91.1 | Very high | 37 Ų | 37 | 66.4 Ų | 66.4 | 31% | 0.306 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I69 Q75 L76 D77 | I69-A73 VanDerWaalsContact O-CB 3.3Å; I69-A73 WeakPolarHBondContact O-CB 3.4Å; I69-A73 PolarHBondContact O-N 3.32Å; A73-Q75 VanDerWaalsContact C-N 3.3Å; A73-Q75 PolarHBondContact O-N 3.37Å; A73-L76 WeakPolarHBondContact O-CB 3.27Å; A73-L76 PolarHBondContact O-N 3.43Å; A73-D77 PolarHBondContact O-N 2.74Å |
| 74 | K | 93.8 | Very high | 90.3 | Very high | 143 Ų | 143 | 62.8 Ų | 62.8 | 62% | 0.622 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.7 | -36.9 | 174.9 | -74.2 | 174.4 | -179 | 175.7 | 0 | 112.5 | S70 A71 T72 L76 D77 A78 | S70-K74 WeakPolarHBondContact O-CG 3.41Å; S70-K74 PolarHBondContact O-N 2.84Å; A71-K74 PolarHBondContact O-N 3.33Å; T72-K74 PolarHBondContact O-N 3.45Å; K74-L76 VanDerWaalsContact C-N 3.35Å; K74-D77 PolarHBondContact O-N 2.89Å; K74-A78 WeakPolarHBondContact O-CB 3.35Å; K74-A78 PolarHBondContact O-N 2.87Å |
| 75 | Q | 92.3 | Very high | 89.2 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 38% | 0.383 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 174.7 | -176.4 | 179.8 | -10.7 | 0 | 0 | 110.8 | A71 T72 A73 A78 L79 | A71-Q75 PolarHBondContact O-N 3.21Å; T72-Q75 WeakPolarHBondContact O-CB 3.29Å; T72-Q75 PolarHBondContact O-N 3.25Å; A73-Q75 VanDerWaalsContact C-N 3.3Å; A73-Q75 PolarHBondContact O-N 3.37Å; Q75-A78 PolarHBondContact O-N 3.43Å; Q75-L79 HydrophobicContact CG-CD1 4.08Å; Q75-L79 HydrophobicContact CG-CG 4.46Å; Q75-L79 WeakPolarHBondContact O-CB 3.4Å; Q75-L79 VanDerWaalsContact O-CG 3.27Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.89Å |
| 76 | L | 92.8 | Very high | 87.7 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.141 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 173.8 | -69.4 | 172.7 | 0 | 0 | 0 | 111.7 | L8 A11 I12 Q15 T72 A73 K74 A78 L79 I80 | L8-L76 HydrophobicContact CD1-CD2 3.7Å; A11-L76 HydrophobicContact CB-CD2 3.47Å; A11-L76 VanDerWaalsContact CB-CD2 3.47Å; A11-L76 HydrophobicContact CB-CG 4.22Å; I12-L76 HydrophobicContact CG1-CD2 3.62Å; Q15-L76 HydrophobicContact CB-CD1 4.2Å; Q15-L76 HydrophobicContact CG-CD1 4.21Å; T72-L76 WeakPolarHBondContact O-CG 3.48Å; T72-L76 PolarHBondContact O-N 2.94Å; A73-L76 WeakPolarHBondContact O-CB 3.27Å; A73-L76 PolarHBondContact O-N 3.43Å; K74-L76 VanDerWaalsContact C-N 3.35Å; L76-A78 VanDerWaalsContact C-N 3.3Å; L76-A78 PolarHBondContact O-N 3.23Å; L76-L79 PolarHBondContact O-N 2.83Å; L76-L79 VanDerWaalsContact O-N 3.17Å; L76-I80 WeakPolarHBondContact O-CB 3.47Å; L76-I80 VanDerWaalsContact O-CG1 3.24Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 3.48Å |
| 77 | D | 92.6 | Very high | 85.9 | Confident | 112 Ų | 112 | 79.2 Ų | 79.2 | 60% | 0.599 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 177.4 | -72.3 | -29.1 | 0 | 0 | 0 | 111.9 | A73 K74 I80 G81 | A73-D77 PolarHBondContact O-N 2.74Å; K74-D77 PolarHBondContact O-N 2.89Å; D77-I80 PolarHBondContact O-N 2.95Å; D77-G81 PolarHBondContact O-N 3.41Å |
| 78 | A | 90.1 | Very high | 84.2 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K74 Q75 L76 G81 A82 | K74-A78 WeakPolarHBondContact O-CB 3.35Å; K74-A78 PolarHBondContact O-N 2.87Å; Q75-A78 PolarHBondContact O-N 3.43Å; L76-A78 VanDerWaalsContact C-N 3.3Å; L76-A78 PolarHBondContact O-N 3.23Å; A78-G81 PolarHBondContact O-N 2.85Å; A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.82Å |
| 79 | L | 89.9 | Confident | 83 | Confident | 9 Ų | 9 | 77 Ų | 77 | 5% | 0.047 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 177.3 | -71.4 | 171.2 | 0 | 0 | 0 | 111.7 | E7 L8 A11 Q75 L76 A82 L83 | E7-L79 HydrophobicContact CB-CD2 4.41Å; E7-L79 HydrophobicContact CG-CD1 3.97Å; E7-L79 HydrophobicContact CG-CD2 3.9Å; E7-L79 VanDerWaalsContact OE2-CD2 3.29Å; E7-L79 WeakPolarHBondContact OE2-CD2 3.31Å; L8-L79 HydrophobicContact CD1-CB 3.91Å; L8-L79 HydrophobicContact CD1-CD1 4.45Å; A11-L79 HydrophobicContact CB-CD1 3.95Å; Q75-L79 HydrophobicContact CG-CD1 4.08Å; Q75-L79 HydrophobicContact CG-CG 4.46Å; Q75-L79 WeakPolarHBondContact O-CB 3.4Å; Q75-L79 VanDerWaalsContact O-CG 3.27Å; Q75-L79 WeakPolarHBondContact O-CG 3.3Å; Q75-L79 PolarHBondContact O-N 2.89Å; L76-L79 PolarHBondContact O-N 2.83Å; L76-L79 VanDerWaalsContact O-N 3.17Å; L79-A82 PolarHBondContact O-N 2.83Å; L79-A82 VanDerWaalsContact O-N 3.17Å; L79-L83 PolarHBondContact O-N 3.45Å |
| 80 | I | 88.1 | Confident | 82.2 | Confident | 94 Ų | 94 | 78 Ų | 78 | 48% | 0.482 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 174.7 | -67.7 | 164.9 | 0 | 0 | 0 | 110.1 | L8 L76 D77 A82 L83 | L8-I80 HydrophobicContact CD1-CG1 3.98Å; L76-I80 WeakPolarHBondContact O-CB 3.47Å; L76-I80 VanDerWaalsContact O-CG1 3.24Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 3.48Å; D77-I80 PolarHBondContact O-N 2.95Å; I80-A82 PolarHBondContact O-N 3.39Å; I80-L83 WeakPolarHBondContact O-CB 3.26Å; I80-L83 PolarHBondContact O-N 3.34Å; I80-L83 VanDerWaalsContact O-N 3.14Å |
| 81 | G | 87.8 | Confident | 81.5 | Confident | 68 Ų | 68 | 79.8 Ų | 79.8 | 70% | 0.701 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.3 | -19.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D77 A78 | D77-G81 PolarHBondContact O-N 3.41Å; A78-G81 PolarHBondContact O-N 2.85Å |
| 82 | A | 85.7 | Confident | 80.9 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -3.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A78 L79 I80 | A78-A82 WeakPolarHBondContact O-CB 3.39Å; A78-A82 PolarHBondContact O-N 2.82Å; L79-A82 PolarHBondContact O-N 2.83Å; L79-A82 VanDerWaalsContact O-N 3.17Å; I80-A82 PolarHBondContact O-N 3.39Å |
| 83 | L | 81.1 | Confident | 80.3 | Confident | 65 Ų | 65 | 85 Ų | 85 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -66.6 | 139.3 | 173.6 | -71.1 | 170.4 | 0 | 0 | 0 | 109.5 | R4 L8 L79 I80 E85 | R4-L83 HydrophobicContact CB-CD2 4.48Å; L8-L83 HydrophobicContact CD2-CD1 4.33Å; L79-L83 PolarHBondContact O-N 3.45Å; I80-L83 WeakPolarHBondContact O-CB 3.26Å; I80-L83 PolarHBondContact O-N 3.34Å; I80-L83 VanDerWaalsContact O-N 3.14Å; L83-E85 PolarHBondContact O-N 3Å |
| 84 | P | 73.5 | Confident | 79.9 | Confident | 83 Ų | 83 | 90.8 Ų | 90.8 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 136 | 172.8 | 26.6 | -32.6 | 0 | 0 | 0 | 109.1 | M1 E86 | M1-P84 HydrophobicContact CE-CG 4.27Å; M1-P84 HydrophobicContact CG-CG 4.42Å; P84-E86 PolarHBondContact O-N 2.82Å |
| 85 | E | 66.5 | Low | 79.6 | Confident | 163 Ų | 163 | 86.2 Ų | 86.2 | 76% | 0.762 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 126.1 | -178.5 | -67.7 | 177.5 | 166.8 | 0 | 0 | 111.2 | L83 E87 A88 | L83-E85 PolarHBondContact O-N 3Å; E85-E87 PolarHBondContact O-N 3.39Å; E85-E87 VanDerWaalsContact O-N 3.11Å; E85-A88 PolarHBondContact O-N 2.73Å |
| 86 | E | 60.8 | Low | 79.3 | Confident | 191 Ų | 191 | 86.3 Ų | 86.3 | 89% | 0.893 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14 | -179.6 | -163.4 | 173 | -176.9 | 0 | 0 | 112.3 | P84 A88 | P84-E86 PolarHBondContact O-N 2.82Å; E86-A88 PolarHBondContact O-N 2.83Å; E86-A88 VanDerWaalsContact O-N 3.09Å |
| 87 | E | 54.1 | Low | 79.2 | Confident | 168 Ų | 168 | 88.9 Ų | 88.9 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -7.6 | -179.4 | -69.9 | -158.2 | 161.2 | 0 | 0 | 115 | E85 S89 | E85-E87 PolarHBondContact O-N 3.39Å; E85-E87 VanDerWaalsContact O-N 3.11Å; E87-S89 PolarHBondContact O-N 3.09Å |
| 88 | A | 57.3 | Low | 79.2 | Confident | 34 Ų | 34 | 88.8 Ų | 88.8 | 28% | 0.281 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -73.5 | 79.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E85 E86 A90 Q93 | E85-A88 PolarHBondContact O-N 2.73Å; E86-A88 PolarHBondContact O-N 2.83Å; E86-A88 VanDerWaalsContact O-N 3.09Å; A88-A90 PolarHBondContact O-N 3.39Å; A88-Q93 HydrophobicContact CB-CG 3.52Å; A88-Q93 WeakPolarHBondContact O-CG 3.17Å; A88-Q93 PolarHBondContact O-NE2 3.11Å |
| 89 | S | 68.4 | Low | 79.3 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | trans | -40 | 139.5 | 165.6 | 169.6 | 0 | 0 | 0 | 0 | 108.5 | E87 D91 I92 Q93 | E87-S89 PolarHBondContact O-N 3.09Å; S89-D91 CarbonylContact O-C 3.58Å; S89-D91 PolarHBondContact O-N 3.24Å; S89-I92 WeakPolarHBondContact O-CA 3.5Å; S89-I92 WeakPolarHBondContact O-CB 3.45Å; S89-I92 PolarHBondContact O-N 3.09Å; S89-Q93 PolarHBondContact O-N 3.5Å; S89-Q93 VanDerWaalsContact O-N 3.09Å | ||
| 90 | A | 77.2 | Confident | 79.5 | Confident | 59 Ų | 59 | 98.1 Ų | 98.1 | 49% | 0.488 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -49.7 | -25.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A88 R94 | A88-A90 PolarHBondContact O-N 3.39Å; A90-R94 VanDerWaalsContact O-CB 3.27Å; A90-R94 WeakPolarHBondContact O-CB 3.27Å; A90-R94 WeakPolarHBondContact O-CG 3.41Å; A90-R94 PolarHBondContact O-N 2.92Å; A90-R94 PolarHBondContact O-NE 2.59Å; A90-R94 VanDerWaalsContact O-NE 3.12Å |
| 91 | D | 79 | Confident | 79.8 | Confident | 95 Ų | 95 | 98.8 Ų | 98.8 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -45 | 171.5 | -63.7 | -36.6 | 0 | 0 | 0 | 114 | S89 R94 A95 | S89-D91 CarbonylContact O-C 3.58Å; S89-D91 PolarHBondContact O-N 3.24Å; D91-R94 PolarHBondContact O-N 3.4Å; D91-R94 IonicContact OD1-CZ 3.67Å; D91-R94 VanDerWaalsContact OD1-CZ 3.28Å; D91-R94 IonicContact OD1-NE 2.97Å; D91-R94 IonicContact OD1-NH2 3.71Å; D91-R94 PolarHBondContact OD1-NH2 3.12Å; D91-A95 VanDerWaalsContact O-CB 3.3Å; D91-A95 WeakPolarHBondContact O-CB 3.45Å; D91-A95 PolarHBondContact O-N 2.99Å |
| 92 | I | 80.5 | Confident | 80.1 | Confident | 94 Ų | 94 | 100.5 Ų | 100.5 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 176.7 | -60.2 | 174.5 | 0 | 0 | 0 | 110 | S89 A95 T96 | S89-I92 WeakPolarHBondContact O-CA 3.5Å; S89-I92 WeakPolarHBondContact O-CB 3.45Å; S89-I92 PolarHBondContact O-N 3.09Å; I92-A95 PolarHBondContact O-N 3.28Å; I92-T96 VanDerWaalsContact O-CB 3.31Å; I92-T96 WeakPolarHBondContact O-CB 3.32Å; I92-T96 PolarHBondContact O-N 3.2Å; I92-T96 PolarHBondContact O-OG1 2.64Å |
| 93 | Q | 80.1 | Confident | 80.6 | Confident | 81 Ų | 81 | 100.2 Ų | 100.2 | 38% | 0.379 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 175 | -63.6 | -175 | 15.5 | 0 | 0 | 110.6 | A88 S89 A95 T96 V97 | A88-Q93 HydrophobicContact CB-CG 3.52Å; A88-Q93 WeakPolarHBondContact O-CG 3.17Å; A88-Q93 PolarHBondContact O-NE2 3.11Å; S89-Q93 PolarHBondContact O-N 3.5Å; S89-Q93 VanDerWaalsContact O-N 3.09Å; Q93-A95 PolarHBondContact O-N 3.17Å; Q93-T96 PolarHBondContact O-N 3.14Å; Q93-V97 WeakPolarHBondContact O-CB 3.46Å; Q93-V97 VanDerWaalsContact O-CG2 3.26Å; Q93-V97 WeakPolarHBondContact O-CG2 3.27Å; Q93-V97 PolarHBondContact O-N 2.99Å |
| 94 | R | 85.6 | Confident | 81.2 | Confident | 158 Ų | 158 | 105.4 Ų | 105.4 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 175.4 | -80.1 | -177.2 | -73.5 | 175 | -11.8 | 112.6 | A90 D91 T96 V97 H98 | A90-R94 VanDerWaalsContact O-CB 3.27Å; A90-R94 WeakPolarHBondContact O-CB 3.27Å; A90-R94 WeakPolarHBondContact O-CG 3.41Å; A90-R94 PolarHBondContact O-N 2.92Å; A90-R94 PolarHBondContact O-NE 2.59Å; A90-R94 VanDerWaalsContact O-NE 3.12Å; D91-R94 PolarHBondContact O-N 3.4Å; D91-R94 IonicContact OD1-CZ 3.67Å; D91-R94 VanDerWaalsContact OD1-CZ 3.28Å; D91-R94 IonicContact OD1-NE 2.97Å; D91-R94 IonicContact OD1-NH2 3.71Å; D91-R94 PolarHBondContact OD1-NH2 3.12Å; R94-T96 VanDerWaalsContact C-N 3.33Å; R94-T96 PolarHBondContact O-N 3.45Å; R94-V97 PolarHBondContact O-N 3.46Å; R94-H98 WeakPolarHBondContact O-CB 3.29Å; R94-H98 PolarHBondContact O-N 2.86Å |
| 95 | A | 87.8 | Confident | 82.2 | Confident | 48 Ų | 48 | 111.3 Ų | 111.3 | 40% | 0.397 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D91 I92 Q93 H98 K99 | D91-A95 VanDerWaalsContact O-CB 3.3Å; D91-A95 WeakPolarHBondContact O-CB 3.45Å; D91-A95 PolarHBondContact O-N 2.99Å; I92-A95 PolarHBondContact O-N 3.28Å; Q93-A95 PolarHBondContact O-N 3.17Å; A95-H98 PolarHBondContact O-N 3.45Å; A95-K99 WeakPolarHBondContact O-CG 3.41Å; A95-K99 PolarHBondContact O-N 2.91Å |
| 96 | T | 87.1 | Confident | 83.6 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 111 | I92 Q93 R94 H98 K99 L100 | I92-T96 VanDerWaalsContact O-CB 3.31Å; I92-T96 WeakPolarHBondContact O-CB 3.32Å; I92-T96 PolarHBondContact O-N 3.2Å; I92-T96 PolarHBondContact O-OG1 2.64Å; Q93-T96 PolarHBondContact O-N 3.14Å; R94-T96 VanDerWaalsContact C-N 3.33Å; R94-T96 PolarHBondContact O-N 3.45Å; T96-H98 VanDerWaalsContact C-N 3.32Å; T96-H98 PolarHBondContact O-N 3Å; T96-K99 PolarHBondContact O-N 2.9Å; T96-L100 WeakPolarHBondContact O-CB 3.38Å; T96-L100 PolarHBondContact O-N 3.31Å |
| 97 | V | 89.4 | Confident | 85.2 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 173.9 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | Q93 R94 L100 L101 | Q93-V97 WeakPolarHBondContact O-CB 3.46Å; Q93-V97 VanDerWaalsContact O-CG2 3.26Å; Q93-V97 WeakPolarHBondContact O-CG2 3.27Å; Q93-V97 PolarHBondContact O-N 2.99Å; R94-V97 PolarHBondContact O-N 3.46Å; V97-L100 PolarHBondContact O-N 3.37Å; V97-L101 HydrophobicContact CG1-CD1 3.92Å; V97-L101 HydrophobicContact CG1-CG 4.34Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.3Å; V97-L101 WeakPolarHBondContact O-CG 3.48Å; V97-L101 PolarHBondContact O-N 3.47Å |
| 98 | H | 92.1 | Very high | 87.2 | Confident | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 177.6 | -167.6 | -88.6 | 0 | 0 | 0 | 111.9 | R94 A95 T96 L100 L101 E102 | R94-H98 WeakPolarHBondContact O-CB 3.29Å; R94-H98 PolarHBondContact O-N 2.86Å; A95-H98 PolarHBondContact O-N 3.45Å; T96-H98 VanDerWaalsContact C-N 3.32Å; T96-H98 PolarHBondContact O-N 3Å; H98-L100 VanDerWaalsContact C-N 3.29Å; H98-L100 PolarHBondContact O-N 2.91Å; H98-L101 PolarHBondContact O-N 3.16Å; H98-E102 VanDerWaalsContact CE1-CD 3.46Å; H98-E102 IonicContact CE1-OE1 3.47Å; H98-E102 PolarHBondContact CE1-OE1 3.32Å; H98-E102 IonicContact ND1-OE1 3.79Å; H98-E102 PolarHBondContact ND1-OE1 2.86Å; H98-E102 IonicContact ND1-OE2 3.73Å; H98-E102 WeakPolarHBondContact O-CG 3.24Å; H98-E102 PolarHBondContact O-N 3.36Å |
| 99 | K | 93.2 | Very high | 89.1 | Confident | 147 Ų | 147 | 97.2 Ų | 97.2 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.2 | -41.6 | 175.1 | -74.8 | 177.2 | -179.9 | 179.9 | 0 | 112.1 | A95 T96 E102 A103 | A95-K99 WeakPolarHBondContact O-CG 3.41Å; A95-K99 PolarHBondContact O-N 2.91Å; T96-K99 PolarHBondContact O-N 2.9Å; K99-E102 PolarHBondContact O-N 3.17Å; K99-A103 WeakPolarHBondContact O-CB 3.49Å; K99-A103 PolarHBondContact O-N 2.87Å |
| 100 | L | 93.7 | Very high | 90.4 | Very high | 125 Ų | 125 | 99.5 Ų | 99.5 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -41.1 | 178.3 | -173.4 | 64.8 | 0 | 0 | 0 | 111.5 | T96 V97 H98 A103 Y104 | T96-L100 WeakPolarHBondContact O-CB 3.38Å; T96-L100 PolarHBondContact O-N 3.31Å; V97-L100 PolarHBondContact O-N 3.37Å; H98-L100 VanDerWaalsContact C-N 3.29Å; H98-L100 PolarHBondContact O-N 2.91Å; L100-A103 PolarHBondContact O-N 3.08Å; L100-Y104 VanDerWaalsContact O-CB 3.29Å; L100-Y104 WeakPolarHBondContact O-CB 3.3Å; L100-Y104 PolarHBondContact O-N 3.04Å |
| 101 | L | 94.7 | Very high | 91.3 | Very high | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | 175.7 | -72.9 | 172.8 | 0 | 0 | 0 | 112.1 | V97 H98 Y104 R105 | V97-L101 HydrophobicContact CG1-CD1 3.92Å; V97-L101 HydrophobicContact CG1-CG 4.34Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.3Å; V97-L101 WeakPolarHBondContact O-CG 3.48Å; V97-L101 PolarHBondContact O-N 3.47Å; H98-L101 PolarHBondContact O-N 3.16Å; L101-Y104 PolarHBondContact O-N 3.42Å; L101-R105 VanDerWaalsContact O-CB 3.27Å; L101-R105 WeakPolarHBondContact O-CB 3.37Å; L101-R105 PolarHBondContact O-N 3.21Å |
| 102 | E | 95 | Very high | 92.2 | Very high | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 174 | -74.4 | 178.6 | 152.8 | 0 | 0 | 111.7 | H98 K99 R105 S106 | H98-E102 VanDerWaalsContact CE1-CD 3.46Å; H98-E102 IonicContact CE1-OE1 3.47Å; H98-E102 PolarHBondContact CE1-OE1 3.32Å; H98-E102 IonicContact ND1-OE1 3.79Å; H98-E102 PolarHBondContact ND1-OE1 2.86Å; H98-E102 IonicContact ND1-OE2 3.73Å; H98-E102 WeakPolarHBondContact O-CG 3.24Å; H98-E102 PolarHBondContact O-N 3.36Å; K99-E102 PolarHBondContact O-N 3.17Å; E102-R105 PolarHBondContact O-N 3.32Å; E102-S106 WeakPolarHBondContact O-CB 3.45Å; E102-S106 PolarHBondContact O-N 3.06Å |
| 103 | A | 94.6 | Very high | 93 | Very high | 50 Ų | 50 | 103.8 Ų | 103.8 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | K99 L100 R105 S106 E107 | K99-A103 WeakPolarHBondContact O-CB 3.49Å; K99-A103 PolarHBondContact O-N 2.87Å; L100-A103 PolarHBondContact O-N 3.08Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.44Å; A103-S106 WeakPolarHBondContact O-CB 3.39Å; A103-S106 PolarHBondContact O-N 3.48Å; A103-E107 WeakPolarHBondContact O-CG 3.4Å; A103-E107 PolarHBondContact O-N 2.93Å |
| 104 | Y | 94.3 | Very high | 93.8 | Very high | 175 Ų | 175 | 104.4 Ų | 104.4 | 69% | 0.686 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59 | -42.1 | 176.6 | -176.5 | -101.4 | 0 | 0 | 0 | 112.1 | L100 L101 E107 G108 | L100-Y104 VanDerWaalsContact O-CB 3.29Å; L100-Y104 WeakPolarHBondContact O-CB 3.3Å; L100-Y104 PolarHBondContact O-N 3.04Å; L101-Y104 PolarHBondContact O-N 3.42Å; Y104-E107 PolarHBondContact O-N 3.2Å; Y104-G108 PolarHBondContact O-N 2.95Å |
| 105 | R | 95.3 | Very high | 94.3 | Very high | 206 Ų | 206 | 99.6 Ų | 99.6 | 78% | 0.777 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 176.5 | -174.7 | 178.2 | -179.5 | 175.5 | 0.8 | 112 | L101 E102 A103 G108 A109 | L101-R105 VanDerWaalsContact O-CB 3.27Å; L101-R105 WeakPolarHBondContact O-CB 3.37Å; L101-R105 PolarHBondContact O-N 3.21Å; E102-R105 PolarHBondContact O-N 3.32Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.44Å; R105-G108 PolarHBondContact O-N 3.37Å; R105-A109 WeakPolarHBondContact O-CB 3.25Å; R105-A109 PolarHBondContact O-N 3.38Å |
| 106 | S | 95.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 101.5 Ų | 101.5 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | E102 A103 A109 K110 | E102-S106 WeakPolarHBondContact O-CB 3.45Å; E102-S106 PolarHBondContact O-N 3.06Å; A103-S106 WeakPolarHBondContact O-CB 3.39Å; A103-S106 PolarHBondContact O-N 3.48Å; S106-A109 PolarHBondContact O-N 2.95Å; S106-K110 WeakPolarHBondContact O-CG 3.45Å; S106-K110 PolarHBondContact O-N 3.44Å |
| 107 | E | 95 | Very high | 95.3 | Very high | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 175.6 | -66.8 | -51.1 | 135.5 | 0 | 0 | 111.9 | A103 Y104 A109 K110 L111 | A103-E107 WeakPolarHBondContact O-CG 3.4Å; A103-E107 PolarHBondContact O-N 2.93Å; Y104-E107 PolarHBondContact O-N 3.2Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 3.1Å; E107-K110 WeakPolarHBondContact O-CB 3.39Å; E107-K110 PolarHBondContact O-N 2.95Å; E107-K110 IonicContact OE1-NZ 2.67Å; E107-K110 PolarHBondContact OE1-NZ 2.87Å; E107-K110 IonicContact OE2-NZ 2.59Å; E107-L111 PolarHBondContact O-N 3.36Å |
| 108 | G | 96.2 | Very high | 95.7 | Very high | 35 Ų | 35 | 104.2 Ų | 104.2 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y104 R105 L111 A112 | Y104-G108 PolarHBondContact O-N 2.95Å; R105-G108 PolarHBondContact O-N 3.37Å; G108-L111 PolarHBondContact O-N 2.88Å; G108-A112 WeakPolarHBondContact O-CB 3.42Å; G108-A112 PolarHBondContact O-N 3.5Å |
| 109 | A | 96.3 | Very high | 96 | Very high | 60 Ų | 60 | 104.6 Ų | 104.6 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R105 S106 E107 A112 R113 | R105-A109 WeakPolarHBondContact O-CB 3.25Å; R105-A109 PolarHBondContact O-N 3.38Å; S106-A109 PolarHBondContact O-N 2.95Å; E107-A109 VanDerWaalsContact C-N 3.34Å; E107-A109 PolarHBondContact O-N 3.1Å; A109-A112 PolarHBondContact O-N 3.01Å; A109-R113 WeakPolarHBondContact O-CB 3.34Å; A109-R113 PolarHBondContact O-N 2.93Å |
| 110 | K | 96.4 | Very high | 96.2 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 45% | 0.452 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 172.8 | -69.1 | 172.5 | -169.5 | 171.8 | 0 | 110.8 | S106 E107 R113 I114 | S106-K110 WeakPolarHBondContact O-CG 3.45Å; S106-K110 PolarHBondContact O-N 3.44Å; E107-K110 WeakPolarHBondContact O-CB 3.39Å; E107-K110 PolarHBondContact O-N 2.95Å; E107-K110 IonicContact OE1-NZ 2.67Å; E107-K110 PolarHBondContact OE1-NZ 2.87Å; E107-K110 IonicContact OE2-NZ 2.59Å; K110-R113 PolarHBondContact O-N 2.95Å; K110-I114 WeakPolarHBondContact O-CG1 3.32Å; K110-I114 PolarHBondContact O-N 3.37Å |
| 111 | L | 96.5 | Very high | 96.3 | Very high | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.7 | -49.4 | 177 | -179.2 | 60.5 | 0 | 0 | 0 | 111.1 | E107 G108 R113 I114 T115 | E107-L111 PolarHBondContact O-N 3.36Å; G108-L111 PolarHBondContact O-N 2.88Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 3.43Å; L111-I114 PolarHBondContact O-N 3.11Å; L111-I114 VanDerWaalsContact O-N 3.07Å; L111-T115 PolarHBondContact O-N 3.22Å; L111-T115 PolarHBondContact O-OG1 2.86Å; L111-T115 VanDerWaalsContact O-OG1 3.08Å |
| 112 | A | 96.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 102.3 Ų | 102.3 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.6 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | G108 A109 I114 T115 T116 | G108-A112 WeakPolarHBondContact O-CB 3.42Å; G108-A112 PolarHBondContact O-N 3.5Å; A109-A112 PolarHBondContact O-N 3.01Å; A112-I114 VanDerWaalsContact C-N 3.33Å; A112-I114 PolarHBondContact O-N 2.97Å; A112-T115 PolarHBondContact O-N 3.29Å; A112-T116 PolarHBondContact O-N 2.91Å; A112-T116 PolarHBondContact O-OG1 3.22Å; A112-T116 VanDerWaalsContact O-OG1 3.04Å |
| 113 | R | 96.7 | Very high | 96.6 | Very high | 173 Ų | 173 | 99.4 Ų | 99.4 | 65% | 0.653 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -39.1 | 176.8 | -174.2 | 179.4 | -176.9 | -176.5 | 0.6 | 112.5 | A109 K110 L111 K117 | A109-R113 WeakPolarHBondContact O-CB 3.34Å; A109-R113 PolarHBondContact O-N 2.93Å; K110-R113 PolarHBondContact O-N 2.95Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 3.43Å; R113-K117 WeakPolarHBondContact O-CG 3.3Å; R113-K117 PolarHBondContact O-N 3.32Å |
| 114 | I | 97.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 48% | 0.482 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 176.3 | -68.4 | 167.3 | 0 | 0 | 0 | 109.6 | K110 L111 A112 T116 K117 L118 | K110-I114 WeakPolarHBondContact O-CG1 3.32Å; K110-I114 PolarHBondContact O-N 3.37Å; L111-I114 PolarHBondContact O-N 3.11Å; L111-I114 VanDerWaalsContact O-N 3.07Å; A112-I114 VanDerWaalsContact C-N 3.33Å; A112-I114 PolarHBondContact O-N 2.97Å; I114-T116 PolarHBondContact O-N 2.55Å; I114-K117 WeakPolarHBondContact O-CB 3.47Å; I114-K117 PolarHBondContact O-N 2.94Å; I114-K117 VanDerWaalsContact O-N 3.17Å; I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.31Å; I114-L118 WeakPolarHBondContact O-CG 3.39Å; I114-L118 PolarHBondContact O-N 3.29Å |
| 115 | T | 97.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 97.8 Ų | 97.8 | 36% | 0.356 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | L111 A112 K117 L118 E119 | L111-T115 PolarHBondContact O-N 3.22Å; L111-T115 PolarHBondContact O-OG1 2.86Å; L111-T115 VanDerWaalsContact O-OG1 3.08Å; A112-T115 PolarHBondContact O-N 3.29Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.48Å; T115-L118 WeakPolarHBondContact O-CB 3.47Å; T115-L118 PolarHBondContact O-N 2.9Å; T115-E119 HydrophobicContact CG2-CG 4.44Å; T115-E119 WeakPolarHBondContact O-CG 3.24Å; T115-E119 PolarHBondContact O-N 2.99Å |
| 116 | T | 97.6 | Very high | 96.9 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 177.7 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | A112 I114 E119 S120 | A112-T116 PolarHBondContact O-N 2.91Å; A112-T116 PolarHBondContact O-OG1 3.22Å; A112-T116 VanDerWaalsContact O-OG1 3.04Å; I114-T116 PolarHBondContact O-N 2.55Å; T116-E119 PolarHBondContact O-N 2.95Å; T116-S120 PolarHBondContact O-N 3.28Å |
| 117 | K | 97.4 | Very high | 97 | Very high | 115 Ų | 115 | 100.8 Ų | 100.8 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 174.9 | -75.4 | 178.1 | 177.1 | -175.7 | 0 | 112.3 | R113 I114 T115 S120 R121 | R113-K117 WeakPolarHBondContact O-CG 3.3Å; R113-K117 PolarHBondContact O-N 3.32Å; I114-K117 WeakPolarHBondContact O-CB 3.47Å; I114-K117 PolarHBondContact O-N 2.94Å; I114-K117 VanDerWaalsContact O-N 3.17Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 3.48Å; K117-S120 PolarHBondContact O-OG 3.33Å; K117-R121 WeakPolarHBondContact O-CG 3.44Å; K117-R121 PolarHBondContact O-N 3.4Å |
| 118 | L | 97.7 | Very high | 97.1 | Very high | 108 Ų | 108 | 99.1 Ų | 99.1 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.1 | -42.3 | 176.8 | -70.2 | 174.7 | 0 | 0 | 0 | 110.8 | I114 T115 S120 R121 L122 | I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.31Å; I114-L118 WeakPolarHBondContact O-CG 3.39Å; I114-L118 PolarHBondContact O-N 3.29Å; T115-L118 WeakPolarHBondContact O-CB 3.47Å; T115-L118 PolarHBondContact O-N 2.9Å; L118-S120 PolarHBondContact O-N 3.38Å; L118-R121 PolarHBondContact O-N 2.9Å; L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 PolarHBondContact O-N 3.04Å |
| 119 | E | 97.8 | Very high | 97.2 | Very high | 117 Ų | 117 | 102.6 Ų | 102.6 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 175.5 | -72.5 | 172.9 | 164.3 | 0 | 0 | 112.2 | T115 T116 R121 L122 A123 | T115-E119 HydrophobicContact CG2-CG 4.44Å; T115-E119 WeakPolarHBondContact O-CG 3.24Å; T115-E119 PolarHBondContact O-N 2.99Å; T116-E119 PolarHBondContact O-N 2.95Å; E119-R121 PolarHBondContact O-N 3.4Å; E119-L122 PolarHBondContact O-N 3.44Å; E119-A123 WeakPolarHBondContact O-CB 3.16Å; E119-A123 PolarHBondContact O-N 3.23Å |
| 120 | S | 97.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 103.4 Ų | 103.4 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 178.3 | 76.1 | 0 | 0 | 0 | 0 | 112.2 | T116 K117 L118 A123 E124 | T116-S120 PolarHBondContact O-N 3.28Å; K117-S120 PolarHBondContact O-OG 3.33Å; L118-S120 PolarHBondContact O-N 3.38Å; S120-A123 PolarHBondContact O-N 2.9Å; S120-E124 PolarHBondContact O-N 3.24Å; S120-E124 VanDerWaalsContact O-N 3.07Å |
| 121 | R | 97.3 | Very high | 97.3 | Very high | 177 Ų | 177 | 100.7 Ų | 100.7 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 175.1 | -73.8 | -178.4 | 176.8 | -145.1 | -2 | 111.5 | K117 L118 E119 A123 E124 V125 | K117-R121 WeakPolarHBondContact O-CG 3.44Å; K117-R121 PolarHBondContact O-N 3.4Å; L118-R121 PolarHBondContact O-N 2.9Å; E119-R121 PolarHBondContact O-N 3.4Å; R121-A123 VanDerWaalsContact C-N 3.29Å; R121-A123 PolarHBondContact O-N 3.46Å; R121-E124 WeakPolarHBondContact O-CB 3.28Å; R121-E124 PolarHBondContact O-N 2.91Å; R121-V125 WeakPolarHBondContact O-CG2 3.37Å; R121-V125 PolarHBondContact O-N 3.45Å |
| 122 | L | 97.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 175 | -177.1 | 63.5 | 0 | 0 | 0 | 111.4 | L118 E119 E124 V125 R126 | L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 PolarHBondContact O-N 3.04Å; E119-L122 PolarHBondContact O-N 3.44Å; L122-E124 VanDerWaalsContact C-N 3.35Å; L122-V125 PolarHBondContact O-N 2.9Å; L122-R126 WeakPolarHBondContact O-CB 3.46Å; L122-R126 VanDerWaalsContact O-CG 3.26Å; L122-R126 WeakPolarHBondContact O-CG 3.2Å; L122-R126 PolarHBondContact O-N 3.31Å |
| 123 | A | 97.2 | Very high | 97.2 | Very high | 43 Ų | 43 | 99.1 Ų | 99.1 | 36% | 0.355 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | E119 S120 R121 R127 | E119-A123 WeakPolarHBondContact O-CB 3.16Å; E119-A123 PolarHBondContact O-N 3.23Å; S120-A123 PolarHBondContact O-N 2.9Å; R121-A123 VanDerWaalsContact C-N 3.29Å; R121-A123 PolarHBondContact O-N 3.46Å; A123-R127 WeakPolarHBondContact O-CG 3.34Å; A123-R127 PolarHBondContact O-N 3.37Å; A123-R127 VanDerWaalsContact O-N 3.1Å; A123-R127 PolarHBondContact O-NE 2.96Å |
| 124 | E | 97.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 96.6 Ų | 96.6 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.8 | -48.4 | 172.9 | -172.7 | 175.5 | -172.1 | 0 | 0 | 111.7 | S120 R121 L122 R126 R127 C128 | S120-E124 PolarHBondContact O-N 3.24Å; S120-E124 VanDerWaalsContact O-N 3.07Å; R121-E124 WeakPolarHBondContact O-CB 3.28Å; R121-E124 PolarHBondContact O-N 2.91Å; L122-E124 VanDerWaalsContact C-N 3.35Å; E124-R126 VanDerWaalsContact C-N 3.28Å; E124-R126 PolarHBondContact O-N 3.06Å; E124-R127 WeakPolarHBondContact O-CB 3.38Å; E124-R127 PolarHBondContact O-N 2.93Å; E124-C128 PolarHBondContact O-N 3.42Å; E124-C128 PolarHBondContact O-SG 3.04Å |
| 125 | V | 97.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 96 Ų | 96 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57 | -44 | 175 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | R121 L122 R127 C128 L129 | R121-V125 WeakPolarHBondContact O-CG2 3.37Å; R121-V125 PolarHBondContact O-N 3.45Å; L122-V125 PolarHBondContact O-N 2.9Å; V125-R127 PolarHBondContact O-N 3.44Å; V125-C128 PolarHBondContact O-N 3.38Å; V125-L129 HydrophobicContact CG1-CD1 4.08Å; V125-L129 HydrophobicContact CG1-CG 4.45Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 3.5Å |
| 126 | R | 97.1 | Very high | 97.1 | Very high | 160 Ų | 160 | 98.9 Ų | 98.9 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 175.2 | -77.1 | 174.5 | 176.9 | 173.6 | -0.2 | 112.2 | L122 E124 L129 T130 | L122-R126 WeakPolarHBondContact O-CB 3.46Å; L122-R126 VanDerWaalsContact O-CG 3.26Å; L122-R126 WeakPolarHBondContact O-CG 3.2Å; L122-R126 PolarHBondContact O-N 3.31Å; E124-R126 VanDerWaalsContact C-N 3.28Å; E124-R126 PolarHBondContact O-N 3.06Å; R126-L129 PolarHBondContact O-N 3.45Å; R126-T130 PolarHBondContact O-N 2.92Å; R126-T130 PolarHBondContact O-OG1 2.93Å; R126-T130 VanDerWaalsContact O-OG1 3.04Å |
| 127 | R | 97.4 | Very high | 96.9 | Very high | 168 Ų | 168 | 100.1 Ų | 100.1 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | 176.5 | -80.7 | -178.8 | -76 | 151.5 | -3.9 | 112.2 | A123 E124 V125 T130 A131 | A123-R127 WeakPolarHBondContact O-CG 3.34Å; A123-R127 PolarHBondContact O-N 3.37Å; A123-R127 VanDerWaalsContact O-N 3.1Å; A123-R127 PolarHBondContact O-NE 2.96Å; E124-R127 WeakPolarHBondContact O-CB 3.38Å; E124-R127 PolarHBondContact O-N 2.93Å; V125-R127 PolarHBondContact O-N 3.44Å; R127-T130 PolarHBondContact O-N 3.38Å; R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 3.12Å |
| 128 | C | 97 | Very high | 96.8 | Very high | 72 Ų | 72 | 98.4 Ų | 98.4 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.4 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | E124 V125 T130 A131 I132 | E124-C128 PolarHBondContact O-N 3.42Å; E124-C128 PolarHBondContact O-SG 3.04Å; V125-C128 PolarHBondContact O-N 3.38Å; C128-T130 PolarHBondContact O-N 3.49Å; C128-A131 PolarHBondContact O-N 3.49Å; C128-I132 VanDerWaalsContact O-CG1 3.3Å; C128-I132 WeakPolarHBondContact O-CG1 3.38Å; C128-I132 PolarHBondContact O-N 3.05Å |
| 129 | L | 97.7 | Very high | 96.6 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 176.7 | -70.6 | 174.4 | 0 | 0 | 0 | 112 | V125 R126 I132 A133 | V125-L129 HydrophobicContact CG1-CD1 4.08Å; V125-L129 HydrophobicContact CG1-CG 4.45Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 3.5Å; R126-L129 PolarHBondContact O-N 3.45Å; L129-I132 PolarHBondContact O-N 2.87Å; L129-A133 WeakPolarHBondContact O-CB 3.43Å; L129-A133 PolarHBondContact O-N 3.5Å |
| 130 | T | 97.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.2 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | R126 R127 C128 A133 Q134 | R126-T130 PolarHBondContact O-N 2.92Å; R126-T130 PolarHBondContact O-OG1 2.93Å; R126-T130 VanDerWaalsContact O-OG1 3.04Å; R127-T130 PolarHBondContact O-N 3.38Å; C128-T130 PolarHBondContact O-N 3.49Å; T130-A133 PolarHBondContact O-N 3.3Å; T130-Q134 HydrophobicContact CG2-CG 4.47Å; T130-Q134 WeakPolarHBondContact O-CB 3.44Å; T130-Q134 WeakPolarHBondContact O-CG 3.45Å; T130-Q134 PolarHBondContact O-N 3.45Å |
| 131 | A | 96.9 | Very high | 96.1 | Very high | 47 Ų | 47 | 95.6 Ų | 95.6 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R127 C128 Q134 T135 | R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 3.12Å; C128-A131 PolarHBondContact O-N 3.49Å; A131-Q134 PolarHBondContact O-N 3.18Å; A131-T135 WeakPolarHBondContact O-CB 3.1Å; A131-T135 PolarHBondContact O-N 2.83Å; A131-T135 PolarHBondContact O-OG1 3.49Å |
| 132 | I | 96.5 | Very high | 95.9 | Very high | 89 Ų | 89 | 92.1 Ų | 92.1 | 46% | 0.456 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 173.4 | -68.4 | 165.3 | 0 | 0 | 0 | 110 | C128 L129 Q134 T135 Q136 | C128-I132 VanDerWaalsContact O-CG1 3.3Å; C128-I132 WeakPolarHBondContact O-CG1 3.38Å; C128-I132 PolarHBondContact O-N 3.05Å; L129-I132 PolarHBondContact O-N 2.87Å; I132-Q134 PolarHBondContact O-N 2.94Å; I132-T135 PolarHBondContact O-N 2.92Å; I132-Q136 HydrophobicContact CG2-CG 4.44Å; I132-Q136 WeakPolarHBondContact O-CG 3.18Å; I132-Q136 PolarHBondContact O-N 2.83Å |
| 133 | A | 96.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 93.2 Ų | 93.2 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L129 T130 Q136 L137 | L129-A133 WeakPolarHBondContact O-CB 3.43Å; L129-A133 PolarHBondContact O-N 3.5Å; T130-A133 PolarHBondContact O-N 3.3Å; A133-Q136 PolarHBondContact O-N 3.45Å; A133-L137 WeakPolarHBondContact O-CG 3.24Å; A133-L137 PolarHBondContact O-N 3.36Å |
| 134 | Q | 96.3 | Very high | 95.1 | Very high | 121 Ų | 121 | 94.4 Ų | 94.4 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 175 | -76.1 | 175.1 | -17 | 0 | 0 | 111.8 | T130 A131 I132 Q136 L137 T138 | T130-Q134 HydrophobicContact CG2-CG 4.47Å; T130-Q134 WeakPolarHBondContact O-CB 3.44Å; T130-Q134 WeakPolarHBondContact O-CG 3.45Å; T130-Q134 PolarHBondContact O-N 3.45Å; A131-Q134 PolarHBondContact O-N 3.18Å; I132-Q134 PolarHBondContact O-N 2.94Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3Å; Q134-L137 PolarHBondContact O-N 3.09Å; Q134-T138 WeakPolarHBondContact O-CG2 3.23Å; Q134-T138 PolarHBondContact O-N 3.34Å; Q134-T138 PolarHBondContact O-OG1 2.92Å |
| 135 | T | 95.5 | Very high | 94.8 | Very high | 82 Ų | 82 | 94 Ų | 94 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | A131 I132 L137 T138 T139 | A131-T135 WeakPolarHBondContact O-CB 3.1Å; A131-T135 PolarHBondContact O-N 2.83Å; A131-T135 PolarHBondContact O-OG1 3.49Å; I132-T135 PolarHBondContact O-N 2.92Å; T135-L137 PolarHBondContact O-N 3.07Å; T135-T138 WeakPolarHBondContact CA-OG1 3.37Å; T135-T138 PolarHBondContact O-N 2.75Å; T135-T138 PolarHBondContact O-OG1 3.44Å; T135-T139 WeakPolarHBondContact O-CB 3.31Å; T135-T139 PolarHBondContact O-N 3.48Å; T135-T139 PolarHBondContact O-OG1 2.91Å |
| 136 | Q | 95.6 | Very high | 94.2 | Very high | 117 Ų | 117 | 93.7 Ų | 93.7 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.6 | -72.8 | 175.1 | -15.9 | 0 | 0 | 112.4 | I132 A133 Q134 T139 Q140 | I132-Q136 HydrophobicContact CG2-CG 4.44Å; I132-Q136 WeakPolarHBondContact O-CG 3.18Å; I132-Q136 PolarHBondContact O-N 2.83Å; A133-Q136 PolarHBondContact O-N 3.45Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3Å; Q136-T139 PolarHBondContact O-N 3.16Å; Q136-Q140 WeakPolarHBondContact O-CB 3.45Å; Q136-Q140 VanDerWaalsContact O-CG 3.3Å; Q136-Q140 WeakPolarHBondContact O-CG 3.38Å; Q136-Q140 PolarHBondContact O-N 3.05Å |
| 137 | L | 95.2 | Very high | 93.6 | Very high | 113 Ų | 113 | 93.5 Ų | 93.5 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 175.6 | -72.1 | 171.2 | 0 | 0 | 0 | 112.1 | A133 Q134 T135 Q140 S141 | A133-L137 WeakPolarHBondContact O-CG 3.24Å; A133-L137 PolarHBondContact O-N 3.36Å; Q134-L137 PolarHBondContact O-N 3.09Å; T135-L137 PolarHBondContact O-N 3.07Å; L137-Q140 PolarHBondContact O-N 3.41Å; L137-S141 WeakPolarHBondContact O-CB 3.14Å; L137-S141 PolarHBondContact O-N 3.16Å |
| 138 | T | 94.7 | Very high | 92.9 | Very high | 79 Ų | 79 | 94.8 Ų | 94.8 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 176.6 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | Q134 T135 S141 L142 | Q134-T138 WeakPolarHBondContact O-CG2 3.23Å; Q134-T138 PolarHBondContact O-N 3.34Å; Q134-T138 PolarHBondContact O-OG1 2.92Å; T135-T138 WeakPolarHBondContact CA-OG1 3.37Å; T135-T138 PolarHBondContact O-N 2.75Å; T135-T138 PolarHBondContact O-OG1 3.44Å; T138-S141 PolarHBondContact O-N 3.46Å; T138-L142 WeakPolarHBondContact O-CB 3.41Å; T138-L142 WeakPolarHBondContact O-CG 3.15Å; T138-L142 PolarHBondContact O-N 3.39Å |
| 139 | T | 93.3 | Very high | 92.1 | Very high | 63 Ų | 63 | 99.1 Ų | 99.1 | 39% | 0.387 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 175.2 | -60 | 0 | 0 | 0 | 0 | 110.7 | T135 Q136 S141 L142 E143 | T135-T139 WeakPolarHBondContact O-CB 3.31Å; T135-T139 PolarHBondContact O-N 3.48Å; T135-T139 PolarHBondContact O-OG1 2.91Å; Q136-T139 PolarHBondContact O-N 3.16Å; T139-S141 PolarHBondContact O-N 3.38Å; T139-L142 PolarHBondContact O-N 2.93Å; T139-E143 HydrophobicContact CG2-CG 4.41Å; T139-E143 WeakPolarHBondContact O-CB 3.49Å; T139-E143 VanDerWaalsContact O-CG 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.31Å; T139-E143 PolarHBondContact O-N 3.33Å |
| 140 | Q | 92.4 | Very high | 91.2 | Very high | 117 Ų | 117 | 101.4 Ų | 101.4 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 176.2 | -74.1 | 176 | -1.7 | 0 | 0 | 112.7 | Q136 L137 S144 | Q136-Q140 WeakPolarHBondContact O-CB 3.45Å; Q136-Q140 VanDerWaalsContact O-CG 3.3Å; Q136-Q140 WeakPolarHBondContact O-CG 3.38Å; Q136-Q140 PolarHBondContact O-N 3.05Å; L137-Q140 PolarHBondContact O-N 3.41Å; Q140-S144 WeakPolarHBondContact O-CB 3.43Å; Q140-S144 PolarHBondContact O-N 3.48Å; Q140-S144 PolarHBondContact O-OG 3.35Å |
| 141 | S | 92.3 | Very high | 90.2 | Very high | 55 Ų | 55 | 106.3 Ų | 106.3 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 175.7 | -166.1 | 0 | 0 | 0 | 0 | 111 | L137 T138 T139 S144 E145 | L137-S141 WeakPolarHBondContact O-CB 3.14Å; L137-S141 PolarHBondContact O-N 3.16Å; T138-S141 PolarHBondContact O-N 3.46Å; T139-S141 PolarHBondContact O-N 3.38Å; S141-S144 PolarHBondContact O-N 3.22Å; S141-S144 PolarHBondContact O-OG 3.41Å; S141-E145 WeakPolarHBondContact O-CG 3.29Å; S141-E145 PolarHBondContact O-N 3.41Å |
| 142 | L | 92.1 | Very high | 88.6 | Confident | 104 Ų | 104 | 106.6 Ų | 106.6 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.6 | -72.3 | 167.3 | 0 | 0 | 0 | 112 | T138 T139 S144 E145 V146 | T138-L142 WeakPolarHBondContact O-CB 3.41Å; T138-L142 WeakPolarHBondContact O-CG 3.15Å; T138-L142 PolarHBondContact O-N 3.39Å; T139-L142 PolarHBondContact O-N 2.93Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.2Å; L142-E145 PolarHBondContact O-N 3.4Å; L142-V146 WeakPolarHBondContact O-CB 3.25Å; L142-V146 VanDerWaalsContact O-CG2 3.22Å; L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 3.28Å |
| 143 | E | 90.8 | Very high | 86.3 | Confident | 109 Ų | 109 | 111.4 Ų | 111.4 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.7 | -45 | 173.5 | -76.6 | 175.1 | 178.4 | 0 | 0 | 110.6 | T139 E145 V146 Y147 | T139-E143 HydrophobicContact CG2-CG 4.41Å; T139-E143 WeakPolarHBondContact O-CB 3.49Å; T139-E143 VanDerWaalsContact O-CG 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.31Å; T139-E143 PolarHBondContact O-N 3.33Å; E143-E145 PolarHBondContact O-N 3.35Å; E143-V146 PolarHBondContact O-N 3.13Å; E143-Y147 WeakPolarHBondContact O-CB 3.07Å; E143-Y147 WeakPolarHBondContact O-CD2 3.04Å; E143-Y147 PolarHBondContact O-N 2.98Å |
| 144 | S | 88.5 | Confident | 85.7 | Confident | 68 Ų | 68 | 114.9 Ų | 114.9 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.9 | -36.3 | 178.3 | 78.4 | 0 | 0 | 0 | 0 | 113.4 | Q140 S141 L142 R148 | Q140-S144 WeakPolarHBondContact O-CB 3.43Å; Q140-S144 PolarHBondContact O-N 3.48Å; Q140-S144 PolarHBondContact O-OG 3.35Å; S141-S144 PolarHBondContact O-N 3.22Å; S141-S144 PolarHBondContact O-OG 3.41Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 3.2Å; S144-R148 WeakPolarHBondContact O-CB 3.4Å; S144-R148 PolarHBondContact O-N 3.06Å |
| 145 | E | 89.3 | Confident | 85.2 | Confident | 103 Ų | 103 | 114.5 Ų | 114.5 | 48% | 0.481 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.8 | -45.8 | 175.1 | -75.8 | 173.5 | -174.5 | 0 | 0 | 111.1 | S141 L142 E143 Y147 R148 E149 | S141-E145 WeakPolarHBondContact O-CG 3.29Å; S141-E145 PolarHBondContact O-N 3.41Å; L142-E145 PolarHBondContact O-N 3.4Å; E143-E145 PolarHBondContact O-N 3.35Å; E145-Y147 PolarHBondContact O-N 3Å; E145-R148 CarbonylContact O-C 3.51Å; E145-R148 WeakPolarHBondContact O-CB 3.01Å; E145-R148 PolarHBondContact O-N 2.98Å; E145-R148 VanDerWaalsContact O-N 3.11Å; E145-E149 PolarHBondContact O-N 2.75Å |
| 146 | V | 86.1 | Confident | 84.6 | Confident | 73 Ų | 73 | 116.3 Ų | 116.3 | 44% | 0.442 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.6 | -46.4 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | L142 E143 R148 E149 F150 | L142-V146 WeakPolarHBondContact O-CB 3.25Å; L142-V146 VanDerWaalsContact O-CG2 3.22Å; L142-V146 WeakPolarHBondContact O-CG2 3.34Å; L142-V146 PolarHBondContact O-N 3.28Å; E143-V146 PolarHBondContact O-N 3.13Å; V146-R148 VanDerWaalsContact C-N 3.27Å; V146-R148 PolarHBondContact O-N 2.97Å; V146-E149 PolarHBondContact O-N 3.08Å; V146-F150 HydrophobicContact CG1-CD2 3.7Å; V146-F150 HydrophobicContact CG1-CE2 3.94Å; V146-F150 WeakPolarHBondContact O-CD2 3.38Å; V146-F150 PolarHBondContact O-N 3.13Å |
| 147 | Y | 83.7 | Confident | 84 | Confident | 156 Ų | 156 | 116.3 Ų | 116.3 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.3 | -38.5 | 174.5 | -88 | -70.9 | 0 | 0 | 0 | 112.1 | E143 E145 Y151 | E143-Y147 WeakPolarHBondContact O-CB 3.07Å; E143-Y147 WeakPolarHBondContact O-CD2 3.04Å; E143-Y147 PolarHBondContact O-N 2.98Å; E145-Y147 PolarHBondContact O-N 3Å; Y147-Y151 AromaticContact CD1-CD2 3.89Å; Y147-Y151 HydrophobicContact CD1-CD2 3.89Å; Y147-Y151 HydrophobicContact CD1-CE2 4.17Å; Y147-Y151 HydrophobicContact CE1-CD2 4.48Å; Y147-Y151 HydrophobicContact CE1-CE2 4.34Å; Y147-Y151 WeakPolarHBondContact O-CB 3.15Å; Y147-Y151 PolarHBondContact O-N 3.06Å |
| 148 | R | 83.2 | Confident | 83.3 | Confident | 195 Ų | 195 | 116.5 Ų | 116.5 | 74% | 0.736 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.9 | -38.2 | 176.6 | -172.7 | -174.5 | -87 | 175.1 | -5.4 | 112.4 | S144 E145 V146 G152 | S144-R148 WeakPolarHBondContact O-CB 3.4Å; S144-R148 PolarHBondContact O-N 3.06Å; E145-R148 CarbonylContact O-C 3.51Å; E145-R148 WeakPolarHBondContact O-CB 3.01Å; E145-R148 PolarHBondContact O-N 2.98Å; E145-R148 VanDerWaalsContact O-N 3.11Å; V146-R148 VanDerWaalsContact C-N 3.27Å; V146-R148 PolarHBondContact O-N 2.97Å; R148-G152 WeakPolarHBondContact O-CA 2.9Å; R148-G152 PolarHBondContact O-N 2.93Å |
| 149 | E | 80.6 | Confident | 82.5 | Confident | 163 Ų | 163 | 119 Ų | 119 | 76% | 0.762 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.4 | -38.9 | 177.4 | -74.5 | -169.5 | 163.4 | 0 | 0 | 113 | E145 V146 | E145-E149 PolarHBondContact O-N 2.75Å; V146-E149 PolarHBondContact O-N 3.08Å |
| 150 | F | 78.2 | Confident | 81.7 | Confident | 155 Ų | 155 | 123 Ų | 123 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -85.9 | -28.2 | -177 | -79.7 | -83.4 | 0 | 0 | 0 | 114.4 | V146 | V146-F150 HydrophobicContact CG1-CD2 3.7Å; V146-F150 HydrophobicContact CG1-CE2 3.94Å; V146-F150 WeakPolarHBondContact O-CD2 3.38Å; V146-F150 PolarHBondContact O-N 3.13Å |
| 151 | Y | 76.2 | Confident | 80.9 | Confident | 181 Ų | 181 | 123.5 Ų | 123.5 | 71% | 0.71 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -127.8 | 2.5 | -173.1 | -62 | -81.5 | 0 | 0 | 0 | 114.6 | Y147 | Y147-Y151 AromaticContact CD1-CD2 3.89Å; Y147-Y151 HydrophobicContact CD1-CD2 3.89Å; Y147-Y151 HydrophobicContact CD1-CE2 4.17Å; Y147-Y151 HydrophobicContact CE1-CD2 4.48Å; Y147-Y151 HydrophobicContact CE1-CE2 4.34Å; Y147-Y151 WeakPolarHBondContact O-CB 3.15Å; Y147-Y151 PolarHBondContact O-N 3.06Å |
| 152 | G | 63.6 | Low | 80 | Confident | 52 Ų | 52 | 129.2 Ų | 129.2 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | trans | -96.7 | 25.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | R148 | R148-G152 WeakPolarHBondContact O-CA 2.9Å; R148-G152 PolarHBondContact O-N 2.93Å | ||
| 153 | S | 47.1 | Very low | 78.9 | Confident | 191 Ų | 191 | 131.5 Ų | 131.5 | 100% | 1.336 | 66% | 0.662 | S | S | * | * | trans | -100.5 | 0 | 163 | -68.7 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 153 of 153 residues in 79 ms
(Link to these results)