| 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 | 60.9 | Low | 83.9 | Confident | 179 Ų | 179 | 99 Ų | 99 | 88% | 0.882 | 50% | 0.501 | S | S | * | . | 0 | -64.7 | 0 | -83.4 | -171.5 | 179 | 0 | 0 | 113.8 | N3 D4 R5 | M1-N3 PolarHBondContact O-N 3.09Å; M1-D4 VanDerWaalsContact CA-OD2 3.27Å; M1-D4 WeakPolarHBondContact CA-OD2 3.43Å; M1-D4 PolarHBondContact N-OD2 3.43Å; M1-D4 PolarHBondContact O-N 2.94Å; M1-R5 PolarHBondContact O-N 3.43Å; M1-R5 VanDerWaalsContact O-N 3.12Å | |||
| 2 | A | 71.6 | Confident | 85 | Confident | 76 Ų | 76 | 91.3 Ų | 91.3 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R5 L6 | A2-R5 PolarHBondContact O-N 3.23Å; A2-L6 WeakPolarHBondContact O-CG 3.49Å; A2-L6 PolarHBondContact O-N 3.25Å |
| 3 | N | 76.9 | Confident | 85.9 | Confident | 126 Ų | 126 | 94.6 Ų | 94.6 | 67% | 0.674 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 177.2 | -156.6 | -16.1 | 0 | 0 | 0 | 112.2 | M1 R5 L6 R7 | M1-N3 PolarHBondContact O-N 3.09Å; N3-R5 VanDerWaalsContact C-N 3.31Å; N3-R5 PolarHBondContact O-N 3.41Å; N3-L6 PolarHBondContact O-N 2.86Å; N3-R7 PolarHBondContact O-N 2.67Å |
| 4 | D | 81.6 | Confident | 86.6 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 176.6 | -50 | -58.1 | 0 | 0 | 0 | 112.4 | M1 A8 | M1-D4 VanDerWaalsContact CA-OD2 3.27Å; M1-D4 WeakPolarHBondContact CA-OD2 3.43Å; M1-D4 PolarHBondContact N-OD2 3.43Å; M1-D4 PolarHBondContact O-N 2.94Å; D4-A8 PolarHBondContact O-N 3.07Å |
| 5 | R | 83.9 | Confident | 87.3 | Confident | 72 Ų | 72 | 91.9 Ų | 91.9 | 27% | 0.272 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.3 | -37.5 | 175.3 | -72.8 | -168.8 | 178.3 | -89.4 | -4.5 | 112.6 | M1 A2 N3 R7 A8 L9 Y64 | M1-R5 PolarHBondContact O-N 3.43Å; M1-R5 VanDerWaalsContact O-N 3.12Å; A2-R5 PolarHBondContact O-N 3.23Å; N3-R5 VanDerWaalsContact C-N 3.31Å; N3-R5 PolarHBondContact O-N 3.41Å; R5-R7 VanDerWaalsContact C-N 3.33Å; R5-A8 PolarHBondContact O-N 3.25Å; R5-L9 WeakPolarHBondContact O-CG 3.3Å; R5-L9 PolarHBondContact O-N 2.95Å; R5-Y64 VanDerWaalsContact CD-CE1 3.5Å; R5-Y64 VanDerWaalsContact NE-CE1 3.28Å; R5-Y64 VanDerWaalsContact NH1-CB 3.3Å; R5-Y64 VanDerWaalsContact NH1-CG 3.29Å |
| 6 | L | 88.1 | Confident | 88 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 172 | -73.8 | 170.8 | 0 | 0 | 0 | 110.7 | A2 N3 A8 L9 E10 | A2-L6 WeakPolarHBondContact O-CG 3.49Å; A2-L6 PolarHBondContact O-N 3.25Å; N3-L6 PolarHBondContact O-N 2.86Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.32Å; L6-L9 WeakPolarHBondContact O-CB 3.45Å; L6-L9 PolarHBondContact O-N 2.9Å; L6-L9 VanDerWaalsContact O-N 3.09Å; L6-E10 PolarHBondContact O-N 3.34Å |
| 7 | R | 90.1 | Very high | 88.5 | Confident | 143 Ų | 143 | 88.6 Ų | 88.6 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.7 | -165.5 | 179.5 | 73.8 | -161.1 | -2.2 | 112.6 | N3 R5 L9 E10 E11 | N3-R7 PolarHBondContact O-N 2.67Å; R5-R7 VanDerWaalsContact C-N 3.33Å; R7-L9 VanDerWaalsContact C-N 3.28Å; R7-L9 PolarHBondContact O-N 3.39Å; R7-E10 WeakPolarHBondContact O-CB 3.37Å; R7-E10 PolarHBondContact O-N 2.93Å; R7-E11 PolarHBondContact O-N 3.37Å |
| 8 | A | 90.1 | Very high | 89 | Confident | 16 Ų | 16 | 86.3 Ų | 86.3 | 13% | 0.132 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.4 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D4 R5 L6 E11 V12 | D4-A8 PolarHBondContact O-N 3.07Å; R5-A8 PolarHBondContact O-N 3.25Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.32Å; A8-E11 PolarHBondContact O-N 2.92Å; A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 2.92Å |
| 9 | L | 92.2 | Very high | 89.5 | Confident | 67 Ų | 67 | 83.1 Ų | 83.1 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 174.3 | -70.5 | 172 | 0 | 0 | 0 | 112.3 | R5 L6 R7 E11 V12 E13 L58 Q61 | R5-L9 WeakPolarHBondContact O-CG 3.3Å; R5-L9 PolarHBondContact O-N 2.95Å; L6-L9 WeakPolarHBondContact O-CB 3.45Å; L6-L9 PolarHBondContact O-N 2.9Å; L6-L9 VanDerWaalsContact O-N 3.09Å; R7-L9 VanDerWaalsContact C-N 3.28Å; R7-L9 PolarHBondContact O-N 3.39Å; L9-E11 VanDerWaalsContact C-N 3.29Å; L9-E11 PolarHBondContact O-N 2.95Å; L9-V12 WeakPolarHBondContact O-CB 3.49Å; L9-V12 PolarHBondContact O-N 2.84Å; L9-V12 VanDerWaalsContact O-N 3.13Å; L9-E13 PolarHBondContact O-N 3.43Å; L9-L58 HydrophobicContact CD2-CD2 4.39Å; L9-Q61 HydrophobicContact CD2-CG 4.09Å |
| 10 | E | 94.5 | Very high | 90 | Very high | 114 Ų | 114 | 85.1 Ų | 85.1 | 53% | 0.533 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 171.6 | -69.7 | 175.7 | 177.2 | 0 | 0 | 111.5 | L6 R7 V12 E13 N14 | L6-E10 PolarHBondContact O-N 3.34Å; R7-E10 WeakPolarHBondContact O-CB 3.37Å; R7-E10 PolarHBondContact O-N 2.93Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.97Å; E10-E13 PolarHBondContact O-N 3.26Å; E10-N14 PolarHBondContact O-N 2.93Å; E10-N14 PolarHBondContact O-ND2 3.34Å |
| 11 | E | 93.6 | Very high | 90.4 | Very high | 107 Ų | 107 | 86.6 Ų | 86.6 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 173.4 | -73.9 | 176 | -161.6 | 0 | 0 | 111.9 | R7 A8 L9 N14 Q15 | R7-E11 PolarHBondContact O-N 3.37Å; A8-E11 PolarHBondContact O-N 2.92Å; L9-E11 VanDerWaalsContact C-N 3.29Å; L9-E11 PolarHBondContact O-N 2.95Å; E11-N14 PolarHBondContact O-N 2.96Å; E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 2.91Å |
| 12 | V | 96.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 78.1 Ų | 78.1 | 4% | 0.036 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 173.1 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | A8 L9 E10 N14 Q15 I16 V54 E57 L58 | A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 2.92Å; L9-V12 WeakPolarHBondContact O-CB 3.49Å; L9-V12 PolarHBondContact O-N 2.84Å; L9-V12 VanDerWaalsContact O-N 3.13Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.97Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.46Å; V12-Q15 PolarHBondContact O-N 3.3Å; V12-Q15 VanDerWaalsContact O-N 3.11Å; V12-I16 HydrophobicContact CG1-CD1 4.05Å; V12-I16 WeakPolarHBondContact O-CG1 3.34Å; V12-I16 PolarHBondContact O-N 3.08Å; V12-V54 HydrophobicContact CG1-CG1 4.1Å; V12-V54 HydrophobicContact CG1-CG2 4.33Å; V12-E57 HydrophobicContact CG2-CB 3.71Å; V12-E57 HydrophobicContact CG2-CG 3.52Å; V12-L58 HydrophobicContact CG1-CD1 4.4Å; V12-L58 HydrophobicContact CG1-CD2 4.06Å; V12-L58 HydrophobicContact CG1-CG 4.07Å |
| 13 | E | 96.8 | Very high | 93.4 | Very high | 135 Ų | 135 | 76.1 Ų | 76.1 | 63% | 0.631 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 177 | -72.7 | -179.1 | 155.5 | 0 | 0 | 111.9 | L9 E10 Q15 I16 A17 | L9-E13 PolarHBondContact O-N 3.43Å; E10-E13 PolarHBondContact O-N 3.26Å; E13-Q15 VanDerWaalsContact C-N 3.28Å; E13-Q15 PolarHBondContact O-N 3.44Å; E13-I16 WeakPolarHBondContact O-CB 3.22Å; E13-I16 PolarHBondContact O-N 3.49Å; E13-I16 VanDerWaalsContact O-N 3.15Å; E13-A17 PolarHBondContact O-N 3.41Å |
| 14 | N | 96.4 | Very high | 94.4 | Very high | 106 Ų | 106 | 72 Ų | 72 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62 | -35.9 | 175.3 | -74.8 | -53.3 | 0 | 0 | 0 | 112.5 | E10 E11 V12 A17 T18 | E10-N14 PolarHBondContact O-N 2.93Å; E10-N14 PolarHBondContact O-ND2 3.34Å; E11-N14 PolarHBondContact O-N 2.96Å; V12-N14 VanDerWaalsContact C-N 3.33Å; V12-N14 PolarHBondContact O-N 3.46Å; N14-A17 PolarHBondContact O-N 3.2Å; N14-T18 PolarHBondContact O-N 2.8Å; N14-T18 VanDerWaalsContact O-N 3.09Å; N14-T18 PolarHBondContact O-OG1 3.01Å |
| 15 | Q | 96.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 69.9 Ų | 69.9 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 174.4 | -70.5 | -161.4 | 49 | 0 | 0 | 112.6 | E11 V12 E13 A17 T18 I19 V54 | E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 2.91Å; V12-Q15 PolarHBondContact O-N 3.3Å; V12-Q15 VanDerWaalsContact O-N 3.11Å; E13-Q15 VanDerWaalsContact C-N 3.28Å; E13-Q15 PolarHBondContact O-N 3.44Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.19Å; Q15-T18 WeakPolarHBondContact O-CB 3.46Å; Q15-T18 PolarHBondContact O-N 3.37Å; Q15-T18 VanDerWaalsContact O-N 3.14Å; Q15-I19 VanDerWaalsContact O-CG1 3.29Å; Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.09Å; Q15-V54 HydrophobicContact CB-CG2 3.63Å |
| 16 | I | 97.8 | Very high | 95.9 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 172.8 | -66.8 | 167.9 | 0 | 0 | 0 | 110.8 | V12 E13 T18 I19 L20 V54 | V12-I16 HydrophobicContact CG1-CD1 4.05Å; V12-I16 WeakPolarHBondContact O-CG1 3.34Å; V12-I16 PolarHBondContact O-N 3.08Å; E13-I16 WeakPolarHBondContact O-CB 3.22Å; E13-I16 PolarHBondContact O-N 3.49Å; E13-I16 VanDerWaalsContact O-N 3.15Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 3.15Å; I16-I19 WeakPolarHBondContact O-CB 3.41Å; I16-I19 PolarHBondContact O-N 3.14Å; I16-L20 PolarHBondContact O-N 3.37Å; I16-V54 HydrophobicContact CD1-CG1 4.43Å; I16-V54 HydrophobicContact CG1-CG1 4.16Å; I16-V54 HydrophobicContact CG1-CG2 4.04Å |
| 17 | A | 97.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E13 N14 Q15 L20 Q21 | E13-A17 PolarHBondContact O-N 3.41Å; N14-A17 PolarHBondContact O-N 3.2Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.19Å; A17-L20 PolarHBondContact O-N 3.35Å; A17-Q21 PolarHBondContact O-N 3.02Å |
| 18 | T | 97.5 | Very high | 96.7 | Very high | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.282 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | N14 Q15 I16 Q21 C22 Q46 | N14-T18 PolarHBondContact O-N 2.8Å; N14-T18 VanDerWaalsContact O-N 3.09Å; N14-T18 PolarHBondContact O-OG1 3.01Å; Q15-T18 WeakPolarHBondContact O-CB 3.46Å; Q15-T18 PolarHBondContact O-N 3.37Å; Q15-T18 VanDerWaalsContact O-N 3.14Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 3.15Å; T18-Q21 PolarHBondContact O-N 3.36Å; T18-C22 PolarHBondContact O-N 3.04Å; T18-C22 PolarHBondContact O-SG 2.88Å; T18-Q46 HydrophobicContact CG2-CG 4.29Å |
| 19 | I | 98.6 | Very high | 97 | Very high | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.128 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 175.8 | -69.5 | 165.8 | 0 | 0 | 0 | 110.1 | Q15 I16 Q21 C22 A23 F47 S50 V51 V54 | Q15-I19 VanDerWaalsContact O-CG1 3.29Å; Q15-I19 WeakPolarHBondContact O-CG1 3.49Å; Q15-I19 PolarHBondContact O-N 3.09Å; I16-I19 WeakPolarHBondContact O-CB 3.41Å; I16-I19 PolarHBondContact O-N 3.14Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 2.98Å; I19-C22 PolarHBondContact O-N 3.19Å; I19-A23 WeakPolarHBondContact O-CB 3.27Å; I19-A23 PolarHBondContact O-N 3.17Å; I19-F47 HydrophobicContact CG2-CD2 3.83Å; I19-F47 HydrophobicContact CG2-CE2 3.42Å; I19-F47 VanDerWaalsContact CG2-CE2 3.42Å; I19-F47 HydrophobicContact CG2-CZ 4.16Å; I19-S50 VanDerWaalsContact CG1-CB 3.49Å; I19-V51 HydrophobicContact CD1-CB 4.36Å; I19-V51 HydrophobicContact CD1-CG2 3.75Å; I19-V51 HydrophobicContact CG1-CG2 3.98Å; I19-V51 HydrophobicContact CG2-CG2 4.04Å; I19-V54 HydrophobicContact CD1-CB 4.4Å; I19-V54 HydrophobicContact CD1-CG2 3.85Å |
| 20 | L | 98.4 | Very high | 97.2 | Very high | 123 Ų | 123 | 67.2 Ų | 67.2 | 64% | 0.644 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.5 | -42.6 | 178.9 | -69.5 | 173.6 | 0 | 0 | 0 | 111.8 | I16 A17 A23 G24 | I16-L20 PolarHBondContact O-N 3.37Å; A17-L20 PolarHBondContact O-N 3.35Å; L20-A23 PolarHBondContact O-N 3.32Å; L20-G24 PolarHBondContact O-N 2.84Å |
| 21 | Q | 98.1 | Very high | 97.4 | Very high | 117 Ų | 117 | 66 Ų | 66 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.9 | -174.6 | 62 | 57.3 | 0 | 0 | 112 | A17 T18 I19 A23 G24 N25 | A17-Q21 PolarHBondContact O-N 3.02Å; T18-Q21 PolarHBondContact O-N 3.36Å; I19-Q21 VanDerWaalsContact C-N 3.34Å; I19-Q21 PolarHBondContact O-N 2.98Å; Q21-A23 VanDerWaalsContact C-N 3.35Å; Q21-A23 PolarHBondContact O-N 2.92Å; Q21-G24 PolarHBondContact O-N 3.18Å; Q21-N25 PolarHBondContact NE2-OD1 3.5Å; Q21-N25 WeakPolarHBondContact O-CB 3.35Å; Q21-N25 PolarHBondContact O-N 3.46Å; Q21-N25 PolarHBondContact O-ND2 3.34Å |
| 22 | C | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.014 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 178 | -65.6 | 0 | 0 | 0 | 0 | 111 | T18 I19 N25 I26 F47 | T18-C22 PolarHBondContact O-N 3.04Å; T18-C22 PolarHBondContact O-SG 2.88Å; I19-C22 PolarHBondContact O-N 3.19Å; C22-N25 PolarHBondContact O-N 2.92Å; C22-I26 WeakPolarHBondContact O-CD1 3.43Å; C22-I26 VanDerWaalsContact O-CG1 3.22Å; C22-I26 WeakPolarHBondContact O-CG1 3.28Å; C22-I26 PolarHBondContact O-N 3.28Å; C22-F47 HydrophobicContact CB-CB 3.89Å; C22-F47 HydrophobicContact CB-CD2 4.25Å |
| 23 | A | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 73.8 Ų | 73.8 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I19 L20 Q21 N25 I26 V27 F47 | I19-A23 WeakPolarHBondContact O-CB 3.27Å; I19-A23 PolarHBondContact O-N 3.17Å; L20-A23 PolarHBondContact O-N 3.32Å; Q21-A23 VanDerWaalsContact C-N 3.35Å; Q21-A23 PolarHBondContact O-N 2.92Å; A23-N25 VanDerWaalsContact C-N 3.34Å; A23-N25 PolarHBondContact O-N 3.49Å; A23-I26 PolarHBondContact O-N 2.8Å; A23-V27 WeakPolarHBondContact O-CG2 3.43Å; A23-V27 PolarHBondContact O-N 3.38Å; A23-F47 HydrophobicContact CB-CD2 4.23Å; A23-F47 HydrophobicContact CB-CE2 3.96Å |
| 24 | G | 98.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 76.2 Ų | 76.2 | 40% | 0.402 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L20 Q21 V27 L28 | L20-G24 PolarHBondContact O-N 2.84Å; Q21-G24 PolarHBondContact O-N 3.18Å; G24-V27 PolarHBondContact O-N 2.95Å; G24-L28 VanDerWaalsContact O-CB 3.3Å; G24-L28 WeakPolarHBondContact O-CB 3.49Å; G24-L28 PolarHBondContact O-N 2.91Å |
| 25 | N | 97.8 | Very high | 97.2 | Very high | 42 Ų | 42 | 75.4 Ų | 75.4 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 177 | -70.3 | -13.5 | 0 | 0 | 0 | 112.6 | Q21 C22 A23 E29 F39 Q43 | Q21-N25 PolarHBondContact NE2-OD1 3.5Å; Q21-N25 WeakPolarHBondContact O-CB 3.35Å; Q21-N25 PolarHBondContact O-N 3.46Å; Q21-N25 PolarHBondContact O-ND2 3.34Å; C22-N25 PolarHBondContact O-N 2.92Å; A23-N25 VanDerWaalsContact C-N 3.34Å; A23-N25 PolarHBondContact O-N 3.49Å; N25-E29 WeakPolarHBondContact O-CB 3.4Å; N25-E29 PolarHBondContact O-N 2.99Å; N25-F39 HydrophobicContact CB-CE1 4.26Å; N25-F39 HydrophobicContact CB-CZ 4.04Å; N25-Q43 HydrophobicContact CB-CG 4.19Å; N25-Q43 VanDerWaalsContact CB-OE1 3.31Å; N25-Q43 PolarHBondContact ND2-OE1 3.24Å |
| 26 | I | 98.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 77.5 Ų | 77.5 | 14% | 0.144 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -50.5 | 176.6 | -71 | 162.6 | 0 | 0 | 0 | 110 | C22 A23 L28 E29 L30 L40 Q43 L44 F47 | C22-I26 WeakPolarHBondContact O-CD1 3.43Å; C22-I26 VanDerWaalsContact O-CG1 3.22Å; C22-I26 WeakPolarHBondContact O-CG1 3.28Å; C22-I26 PolarHBondContact O-N 3.28Å; A23-I26 PolarHBondContact O-N 2.8Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.25Å; I26-E29 PolarHBondContact O-N 3.13Å; I26-L30 HydrophobicContact CG2-CD1 3.82Å; I26-L30 HydrophobicContact CG2-CG 4.4Å; I26-L30 WeakPolarHBondContact O-CB 3.37Å; I26-L30 VanDerWaalsContact O-CG 3.27Å; I26-L30 WeakPolarHBondContact O-CG 3.26Å; I26-L30 PolarHBondContact O-N 3.06Å; I26-L40 HydrophobicContact CB-CD2 4.45Å; I26-L40 HydrophobicContact CG1-CD2 4.47Å; I26-L40 HydrophobicContact CG2-CD2 4.14Å; I26-Q43 HydrophobicContact CD1-CB 4.03Å; I26-Q43 HydrophobicContact CG1-CB 3.6Å; I26-L44 HydrophobicContact CD1-CD1 4.49Å; I26-F47 HydrophobicContact CD1-CB 4.39Å |
| 27 | V | 97.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 77.2 Ų | 77.2 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.2 | -43.5 | -179.7 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | A23 G24 L30 S31 | A23-V27 WeakPolarHBondContact O-CG2 3.43Å; A23-V27 PolarHBondContact O-N 3.38Å; G24-V27 PolarHBondContact O-N 2.95Å; V27-L30 PolarHBondContact O-N 3.41Å; V27-S31 PolarHBondContact O-N 3.2Å; V27-S31 VanDerWaalsContact O-N 3.07Å |
| 28 | L | 97.4 | Very high | 97.1 | Very high | 109 Ų | 109 | 78.9 Ų | 78.9 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.8 | -36.8 | 178 | -177.3 | 66.3 | 0 | 0 | 0 | 112.7 | G24 I26 S31 | G24-L28 VanDerWaalsContact O-CB 3.3Å; G24-L28 WeakPolarHBondContact O-CB 3.49Å; G24-L28 PolarHBondContact O-N 2.91Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.25Å; L28-S31 PolarHBondContact O-OG 3.4Å |
| 29 | E | 97.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 79 Ų | 79 | 7% | 0.07 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 175 | -173.8 | 63.8 | -151.9 | 0 | 0 | 110.2 | N25 I26 S31 K32 H35 N36 F39 L40 | N25-E29 WeakPolarHBondContact O-CB 3.4Å; N25-E29 PolarHBondContact O-N 2.99Å; I26-E29 PolarHBondContact O-N 3.13Å; E29-S31 PolarHBondContact O-N 3.43Å; E29-K32 WeakPolarHBondContact O-CB 3.38Å; E29-K32 WeakPolarHBondContact O-CG 3.42Å; E29-K32 PolarHBondContact O-N 3.05Å; E29-K32 VanDerWaalsContact O-N 3.09Å; E29-K32 IonicContact OE1-NZ 3.85Å; E29-K32 WeakPolarHBondContact OE2-CE 3.29Å; E29-K32 IonicContact OE2-NZ 2.67Å; E29-K32 PolarHBondContact OE2-NZ 3.32Å; E29-H35 PolarHBondContact O-CD2 2.96Å; E29-H35 VanDerWaalsContact O-CD2 3.25Å; E29-N36 WeakPolarHBondContact OE1-CB 3.35Å; E29-N36 PolarHBondContact OE1-N 2.98Å; E29-F39 HydrophobicContact CB-CD1 4.13Å; E29-F39 HydrophobicContact CB-CE1 4.12Å; E29-F39 HydrophobicContact CG-CD1 3.92Å; E29-F39 HydrophobicContact CG-CE1 4.41Å; E29-L40 HydrophobicContact CB-CD2 3.79Å; E29-L40 HydrophobicContact CB-CG 4.38Å; E29-L40 HydrophobicContact CG-CD1 4.32Å; E29-L40 HydrophobicContact CG-CD2 3.82Å; E29-L40 HydrophobicContact CG-CG 3.83Å |
| 30 | L | 96.6 | Very high | 97 | Very high | 94 Ų | 94 | 79.1 Ų | 79.1 | 49% | 0.492 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.6 | -24.4 | 178.4 | -71 | 174.6 | 0 | 0 | 0 | 113.8 | I26 V27 K32 H35 L40 | I26-L30 HydrophobicContact CG2-CD1 3.82Å; I26-L30 HydrophobicContact CG2-CG 4.4Å; I26-L30 WeakPolarHBondContact O-CB 3.37Å; I26-L30 VanDerWaalsContact O-CG 3.27Å; I26-L30 WeakPolarHBondContact O-CG 3.26Å; I26-L30 PolarHBondContact O-N 3.06Å; V27-L30 PolarHBondContact O-N 3.41Å; L30-K32 VanDerWaalsContact C-N 3.26Å; L30-K32 PolarHBondContact O-N 3.42Å; L30-H35 VanDerWaalsContact CA-CD2 3.49Å; L30-H35 WeakPolarHBondContact CA-CD2 3.43Å; L30-H35 PolarHBondContact O-NE2 3.11Å; L30-L40 HydrophobicContact CD2-CD1 3.89Å; L30-L40 HydrophobicContact CD2-CD2 4.34Å; L30-L40 HydrophobicContact CG-CD2 4.21Å |
| 31 | S | 96.8 | Very high | 97 | Very high | 88 Ų | 88 | 78.2 Ų | 78.2 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.4 | 176.4 | 68.7 | 0 | 0 | 0 | 0 | 114.4 | V27 L28 E29 | V27-S31 PolarHBondContact O-N 3.2Å; V27-S31 VanDerWaalsContact O-N 3.07Å; L28-S31 PolarHBondContact O-OG 3.4Å; E29-S31 PolarHBondContact O-N 3.43Å |
| 32 | K | 97.2 | Very high | 97 | Very high | 100 Ų | 100 | 80.1 Ų | 80.1 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -81.7 | 153.4 | 177.8 | -61.6 | 174.8 | -176.3 | 172.9 | 0 | 110.9 | E29 L30 K34 H35 | E29-K32 WeakPolarHBondContact O-CB 3.38Å; E29-K32 WeakPolarHBondContact O-CG 3.42Å; E29-K32 PolarHBondContact O-N 3.05Å; E29-K32 VanDerWaalsContact O-N 3.09Å; E29-K32 IonicContact OE1-NZ 3.85Å; E29-K32 WeakPolarHBondContact OE2-CE 3.29Å; E29-K32 IonicContact OE2-NZ 2.67Å; E29-K32 PolarHBondContact OE2-NZ 3.32Å; L30-K32 VanDerWaalsContact C-N 3.26Å; L30-K32 PolarHBondContact O-N 3.42Å; K32-K34 VanDerWaalsContact C-N 3.25Å; K32-K34 PolarHBondContact O-N 3.5Å; K32-H35 PolarHBondContact O-CE1 3.01Å; K32-H35 PolarHBondContact O-NE2 2.94Å |
| 33 | D | 94.3 | Very high | 97 | Very high | 176 Ų | 176 | 80.4 Ų | 80.4 | 94% | 0.941 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -65.6 | -30.1 | 175 | -65.1 | -43 | 0 | 0 | 0 | 112.8 | ||
| 34 | K | 95.3 | Very high | 97 | Very high | 186 Ų | 186 | 83.1 Ų | 83.1 | 81% | 0.809 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -130.2 | 114.7 | 176.1 | -173.6 | 179.2 | -179.7 | 179.7 | 0 | 110.3 | K32 | K32-K34 VanDerWaalsContact C-N 3.25Å; K32-K34 PolarHBondContact O-N 3.5Å |
| 35 | H | 93.5 | Very high | 97 | Very high | 90 Ų | 90 | 85.1 Ų | 85.1 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | trans | -85.3 | 144.7 | -177 | -43.5 | 91.5 | 0 | 0 | 0 | 112.7 | E29 L30 K32 L40 | E29-H35 PolarHBondContact O-CD2 2.96Å; E29-H35 VanDerWaalsContact O-CD2 3.25Å; L30-H35 VanDerWaalsContact CA-CD2 3.49Å; L30-H35 WeakPolarHBondContact CA-CD2 3.43Å; L30-H35 PolarHBondContact O-NE2 3.11Å; K32-H35 PolarHBondContact O-CE1 3.01Å; K32-H35 PolarHBondContact O-NE2 2.94Å; H35-L40 HydrophobicContact CB-CD1 4.13Å | ||
| 36 | N | 96.6 | Very high | 97 | Very high | 85 Ų | 85 | 87.4 Ų | 87.4 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | trans | -90.8 | 98 | 167.3 | -175 | -21.5 | 0 | 0 | 0 | 110.9 | E29 S38 F39 L40 | E29-N36 WeakPolarHBondContact OE1-CB 3.35Å; E29-N36 PolarHBondContact OE1-N 2.98Å; N36-S38 VanDerWaalsContact C-N 3.34Å; N36-S38 PolarHBondContact O-N 3.33Å; N36-S38 PolarHBondContact OD1-N 2.97Å; N36-F39 HydrophobicContact CB-CB 3.91Å; N36-F39 PolarHBondContact O-N 3.48Å; N36-F39 PolarHBondContact OD1-N 3.48Å; N36-F39 VanDerWaalsContact OD1-N 3.08Å; N36-L40 PolarHBondContact O-N 2.74Å | ||
| 37 | A | 95.7 | Very high | 97 | Very high | 67 Ų | 67 | 89 Ų | 89 | 55% | 0.554 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57 | -42.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F39 L40 D41 | A37-F39 VanDerWaalsContact C-N 3.33Å; A37-F39 PolarHBondContact O-N 3.39Å; A37-L40 PolarHBondContact O-N 3.16Å; A37-D41 PolarHBondContact O-N 3.43Å |
| 38 | S | 97.5 | Very high | 97 | Very high | 92 Ų | 92 | 87.9 Ų | 87.9 | 64% | 0.643 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.6 | -37 | 179.7 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | N36 R42 | N36-S38 VanDerWaalsContact C-N 3.34Å; N36-S38 PolarHBondContact O-N 3.33Å; N36-S38 PolarHBondContact OD1-N 2.97Å; S38-R42 PolarHBondContact O-N 3.22Å |
| 39 | F | 97.1 | Very high | 97 | Very high | 48 Ų | 48 | 84.2 Ų | 84.2 | 21% | 0.211 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.1 | -45.7 | 173.9 | 176.3 | -97.9 | 0 | 0 | 0 | 111.4 | N25 E29 N36 A37 R42 Q43 | N25-F39 HydrophobicContact CB-CE1 4.26Å; N25-F39 HydrophobicContact CB-CZ 4.04Å; E29-F39 HydrophobicContact CB-CD1 4.13Å; E29-F39 HydrophobicContact CB-CE1 4.12Å; E29-F39 HydrophobicContact CG-CD1 3.92Å; E29-F39 HydrophobicContact CG-CE1 4.41Å; N36-F39 HydrophobicContact CB-CB 3.91Å; N36-F39 PolarHBondContact O-N 3.48Å; N36-F39 PolarHBondContact OD1-N 3.48Å; N36-F39 VanDerWaalsContact OD1-N 3.08Å; A37-F39 VanDerWaalsContact C-N 3.33Å; A37-F39 PolarHBondContact O-N 3.39Å; F39-R42 PolarHBondContact O-N 3.03Å; F39-Q43 HydrophobicContact CD1-CG 4.07Å; F39-Q43 HydrophobicContact CD2-CG 4.39Å; F39-Q43 HydrophobicContact CE1-CG 3.62Å; F39-Q43 HydrophobicContact CE2-CG 3.95Å; F39-Q43 HydrophobicContact CG-CG 4.45Å; F39-Q43 HydrophobicContact CZ-CG 3.55Å; F39-Q43 WeakPolarHBondContact O-CG 3.33Å; F39-Q43 PolarHBondContact O-N 2.9Å |
| 40 | L | 97.7 | Very high | 97.1 | Very high | 28 Ų | 28 | 84 Ų | 84 | 15% | 0.147 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 177.2 | -75.8 | 173.5 | 0 | 0 | 0 | 111.7 | I26 E29 L30 H35 N36 A37 R42 Q43 L44 | I26-L40 HydrophobicContact CB-CD2 4.45Å; I26-L40 HydrophobicContact CG1-CD2 4.47Å; I26-L40 HydrophobicContact CG2-CD2 4.14Å; E29-L40 HydrophobicContact CB-CD2 3.79Å; E29-L40 HydrophobicContact CB-CG 4.38Å; E29-L40 HydrophobicContact CG-CD1 4.32Å; E29-L40 HydrophobicContact CG-CD2 3.82Å; E29-L40 HydrophobicContact CG-CG 3.83Å; L30-L40 HydrophobicContact CD2-CD1 3.89Å; L30-L40 HydrophobicContact CD2-CD2 4.34Å; L30-L40 HydrophobicContact CG-CD2 4.21Å; H35-L40 HydrophobicContact CB-CD1 4.13Å; N36-L40 PolarHBondContact O-N 2.74Å; A37-L40 PolarHBondContact O-N 3.16Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.02Å; L40-Q43 PolarHBondContact O-N 2.75Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.5Å; L40-L44 PolarHBondContact O-N 2.93Å |
| 41 | D | 97.8 | Very high | 97.1 | Very high | 103 Ų | 103 | 82.1 Ų | 82.1 | 55% | 0.551 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.6 | -41.1 | 179 | -78.8 | -14.1 | 0 | 0 | 0 | 112 | A37 L44 S45 | A37-D41 PolarHBondContact O-N 3.43Å; D41-L44 PolarHBondContact O-N 3.43Å; D41-S45 VanDerWaalsContact O-CB 3.32Å; D41-S45 WeakPolarHBondContact O-CB 3.37Å; D41-S45 PolarHBondContact O-N 2.85Å; D41-S45 PolarHBondContact O-OG 3.41Å |
| 42 | R | 98.1 | Very high | 97.2 | Very high | 157 Ų | 157 | 80.9 Ų | 80.9 | 59% | 0.592 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65 | -46.7 | 176.1 | -174.5 | 177.9 | 66.6 | 170.9 | 3.2 | 111.7 | S38 F39 L40 L44 S45 Q46 | S38-R42 PolarHBondContact O-N 3.22Å; F39-R42 PolarHBondContact O-N 3.03Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.02Å; R42-L44 VanDerWaalsContact C-N 3.33Å; R42-S45 PolarHBondContact O-N 3.02Å; R42-Q46 WeakPolarHBondContact O-CB 3.49Å; R42-Q46 PolarHBondContact O-N 3.09Å |
| 43 | Q | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 83.8 Ų | 83.8 | 4% | 0.042 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 178.4 | -67.7 | -59.4 | -78.2 | 0 | 0 | 111.6 | N25 I26 F39 L40 Q46 F47 | N25-Q43 HydrophobicContact CB-CG 4.19Å; N25-Q43 VanDerWaalsContact CB-OE1 3.31Å; N25-Q43 PolarHBondContact ND2-OE1 3.24Å; I26-Q43 HydrophobicContact CD1-CB 4.03Å; I26-Q43 HydrophobicContact CG1-CB 3.6Å; F39-Q43 HydrophobicContact CD1-CG 4.07Å; F39-Q43 HydrophobicContact CD2-CG 4.39Å; F39-Q43 HydrophobicContact CE1-CG 3.62Å; F39-Q43 HydrophobicContact CE2-CG 3.95Å; F39-Q43 HydrophobicContact CG-CG 4.45Å; F39-Q43 HydrophobicContact CZ-CG 3.55Å; F39-Q43 WeakPolarHBondContact O-CG 3.33Å; F39-Q43 PolarHBondContact O-N 2.9Å; L40-Q43 PolarHBondContact O-N 2.75Å; Q43-Q46 PolarHBondContact O-N 3.4Å; Q43-F47 VanDerWaalsContact O-CB 3.26Å; Q43-F47 WeakPolarHBondContact O-CB 3.32Å; Q43-F47 PolarHBondContact O-N 2.93Å |
| 44 | L | 97.9 | Very high | 97.3 | Very high | 91 Ų | 91 | 76.2 Ų | 76.2 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 177.9 | -174.6 | 64.1 | 0 | 0 | 0 | 111.8 | I26 L40 D41 R42 Q46 F47 T48 | I26-L44 HydrophobicContact CD1-CD1 4.49Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.5Å; L40-L44 PolarHBondContact O-N 2.93Å; D41-L44 PolarHBondContact O-N 3.43Å; R42-L44 VanDerWaalsContact C-N 3.33Å; L44-Q46 VanDerWaalsContact C-N 3.35Å; L44-F47 PolarHBondContact O-N 3.03Å; L44-T48 HydrophobicContact CD1-CG2 4.35Å; L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 WeakPolarHBondContact O-CG2 3.49Å; L44-T48 PolarHBondContact O-N 3.4Å; L44-T48 PolarHBondContact O-OG1 3Å |
| 45 | S | 98.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 56% | 0.559 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | 175 | -60 | 0 | 0 | 0 | 0 | 111.4 | D41 R42 T48 G49 | D41-S45 VanDerWaalsContact O-CB 3.32Å; D41-S45 WeakPolarHBondContact O-CB 3.37Å; D41-S45 PolarHBondContact O-N 2.85Å; D41-S45 PolarHBondContact O-OG 3.41Å; R42-S45 PolarHBondContact O-N 3.02Å; S45-T48 PolarHBondContact O-OG1 3.07Å; S45-G49 PolarHBondContact O-N 3.31Å |
| 46 | Q | 97.9 | Very high | 97.5 | Very high | 91 Ų | 91 | 73.3 Ų | 73.3 | 43% | 0.425 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 176.8 | -172.4 | 174.4 | 8.2 | 0 | 0 | 112 | T18 R42 Q43 L44 S50 | T18-Q46 HydrophobicContact CG2-CG 4.29Å; R42-Q46 WeakPolarHBondContact O-CB 3.49Å; R42-Q46 PolarHBondContact O-N 3.09Å; Q43-Q46 PolarHBondContact O-N 3.4Å; L44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-S50 WeakPolarHBondContact O-CB 3.46Å; Q46-S50 PolarHBondContact O-N 2.94Å; Q46-S50 PolarHBondContact O-OG 3.43Å |
| 47 | F | 98.5 | Very high | 97.4 | Very high | 62 Ų | 62 | 72.2 Ų | 72.2 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.1 | -55.8 | 176 | 176.2 | -90 | 0 | 0 | 0 | 110.9 | I19 C22 A23 I26 Q43 L44 G49 S50 V51 | I19-F47 HydrophobicContact CG2-CD2 3.83Å; I19-F47 HydrophobicContact CG2-CE2 3.42Å; I19-F47 VanDerWaalsContact CG2-CE2 3.42Å; I19-F47 HydrophobicContact CG2-CZ 4.16Å; C22-F47 HydrophobicContact CB-CB 3.89Å; C22-F47 HydrophobicContact CB-CD2 4.25Å; A23-F47 HydrophobicContact CB-CD2 4.23Å; A23-F47 HydrophobicContact CB-CE2 3.96Å; I26-F47 HydrophobicContact CD1-CB 4.39Å; Q43-F47 VanDerWaalsContact O-CB 3.26Å; Q43-F47 WeakPolarHBondContact O-CB 3.32Å; Q43-F47 PolarHBondContact O-N 2.93Å; L44-F47 PolarHBondContact O-N 3.03Å; F47-G49 PolarHBondContact O-N 3.38Å; F47-S50 PolarHBondContact O-N 3.3Å; F47-V51 HydrophobicContact CD1-CG2 4.25Å; F47-V51 HydrophobicContact CE1-CG2 3.91Å; F47-V51 HydrophobicContact CE2-CG2 4.45Å; F47-V51 HydrophobicContact CZ-CG2 4.02Å; F47-V51 WeakPolarHBondContact O-CG2 3.42Å; F47-V51 PolarHBondContact O-N 2.97Å |
| 48 | T | 98.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | -177.8 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | L44 S45 S50 V51 S52 | L44-T48 HydrophobicContact CD1-CG2 4.35Å; L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 WeakPolarHBondContact O-CG2 3.49Å; L44-T48 PolarHBondContact O-N 3.4Å; L44-T48 PolarHBondContact O-OG1 3Å; S45-T48 PolarHBondContact O-OG1 3.07Å; T48-S50 PolarHBondContact O-N 3.46Å; T48-V51 PolarHBondContact O-N 2.87Å; T48-S52 WeakPolarHBondContact O-CB 3.44Å; T48-S52 PolarHBondContact O-N 3.23Å |
| 49 | G | 97.9 | Very high | 97.3 | Very high | 32 Ų | 32 | 70.2 Ų | 70.2 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S45 F47 R53 | S45-G49 PolarHBondContact O-N 3.31Å; F47-G49 PolarHBondContact O-N 3.38Å; G49-R53 WeakPolarHBondContact O-CG 3.32Å; G49-R53 PolarHBondContact O-N 2.97Å |
| 50 | S | 97.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 178.3 | -54 | 0 | 0 | 0 | 0 | 111.5 | I19 Q46 F47 T48 S52 R53 V54 | I19-S50 VanDerWaalsContact CG1-CB 3.49Å; Q46-S50 WeakPolarHBondContact O-CB 3.46Å; Q46-S50 PolarHBondContact O-N 2.94Å; Q46-S50 PolarHBondContact O-OG 3.43Å; F47-S50 PolarHBondContact O-N 3.3Å; T48-S50 PolarHBondContact O-N 3.46Å; S50-S52 PolarHBondContact O-N 3.26Å; S50-R53 PolarHBondContact O-N 3.17Å; S50-V54 WeakPolarHBondContact O-CG2 3.29Å; S50-V54 PolarHBondContact O-N 3.36Å |
| 51 | V | 98.3 | Very high | 96.7 | Very high | 54 Ų | 54 | 70 Ų | 70 | 33% | 0.327 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | I19 F47 T48 R53 V54 E55 | I19-V51 HydrophobicContact CD1-CB 4.36Å; I19-V51 HydrophobicContact CD1-CG2 3.75Å; I19-V51 HydrophobicContact CG1-CG2 3.98Å; I19-V51 HydrophobicContact CG2-CG2 4.04Å; F47-V51 HydrophobicContact CD1-CG2 4.25Å; F47-V51 HydrophobicContact CE1-CG2 3.91Å; F47-V51 HydrophobicContact CE2-CG2 4.45Å; F47-V51 HydrophobicContact CZ-CG2 4.02Å; F47-V51 WeakPolarHBondContact O-CG2 3.42Å; F47-V51 PolarHBondContact O-N 2.97Å; T48-V51 PolarHBondContact O-N 2.87Å; V51-R53 VanDerWaalsContact C-N 3.3Å; V51-R53 PolarHBondContact O-N 2.96Å; V51-V54 PolarHBondContact O-N 2.93Å; V51-E55 WeakPolarHBondContact O-CB 3.31Å; V51-E55 PolarHBondContact O-N 3.36Å |
| 52 | S | 97.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 70.1 Ų | 70.1 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | T48 S50 T56 | T48-S52 WeakPolarHBondContact O-CB 3.44Å; T48-S52 PolarHBondContact O-N 3.23Å; S50-S52 PolarHBondContact O-N 3.26Å; S52-T56 WeakPolarHBondContact O-CB 3.36Å; S52-T56 PolarHBondContact O-N 3Å; S52-T56 PolarHBondContact O-OG1 3.41Å |
| 53 | R | 96.1 | Very high | 95.9 | Very high | 161 Ų | 161 | 69.8 Ų | 69.8 | 61% | 0.608 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67 | -46.1 | 175.8 | -77 | 174.6 | -179.3 | -176.2 | 0.8 | 112.1 | G49 S50 V51 E55 T56 E57 | G49-R53 WeakPolarHBondContact O-CG 3.32Å; G49-R53 PolarHBondContact O-N 2.97Å; S50-R53 PolarHBondContact O-N 3.17Å; V51-R53 VanDerWaalsContact C-N 3.3Å; V51-R53 PolarHBondContact O-N 2.96Å; R53-E55 VanDerWaalsContact C-N 3.32Å; R53-E55 PolarHBondContact O-N 3.48Å; R53-T56 PolarHBondContact O-N 2.99Å; R53-E57 WeakPolarHBondContact O-CB 3.48Å; R53-E57 PolarHBondContact O-N 2.74Å |
| 54 | V | 97.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 72.9 Ų | 72.9 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58 | -46.5 | 175.8 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | V12 Q15 I16 I19 S50 V51 T56 E57 L58 | V12-V54 HydrophobicContact CG1-CG1 4.1Å; V12-V54 HydrophobicContact CG1-CG2 4.33Å; Q15-V54 HydrophobicContact CB-CG2 3.63Å; I16-V54 HydrophobicContact CD1-CG1 4.43Å; I16-V54 HydrophobicContact CG1-CG1 4.16Å; I16-V54 HydrophobicContact CG1-CG2 4.04Å; I19-V54 HydrophobicContact CD1-CB 4.4Å; I19-V54 HydrophobicContact CD1-CG2 3.85Å; S50-V54 WeakPolarHBondContact O-CG2 3.29Å; S50-V54 PolarHBondContact O-N 3.36Å; V51-V54 PolarHBondContact O-N 2.93Å; V54-T56 PolarHBondContact O-N 3.38Å; V54-E57 PolarHBondContact O-N 3.49Å; V54-L58 HydrophobicContact CG1-CD1 3.69Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 VanDerWaalsContact O-CB 3.31Å; V54-L58 WeakPolarHBondContact O-CB 3.38Å; V54-L58 VanDerWaalsContact O-CG 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.39Å; V54-L58 PolarHBondContact O-N 3.38Å |
| 55 | E | 97.4 | Very high | 94.5 | Very high | 127 Ų | 127 | 73.5 Ų | 73.5 | 59% | 0.593 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.9 | -46.7 | 177.7 | -176.2 | -176.7 | 178.6 | 0 | 0 | 112.1 | V51 R53 S59 | V51-E55 WeakPolarHBondContact O-CB 3.31Å; V51-E55 PolarHBondContact O-N 3.36Å; R53-E55 VanDerWaalsContact C-N 3.32Å; R53-E55 PolarHBondContact O-N 3.48Å; E55-S59 WeakPolarHBondContact O-CB 3.2Å; E55-S59 PolarHBondContact O-N 3.31Å; E55-S59 PolarHBondContact O-OG 2.78Å |
| 56 | T | 96 | Very high | 93.9 | Very high | 88 Ų | 88 | 73.3 Ų | 73.3 | 54% | 0.54 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | -179 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | S52 R53 V54 S59 S60 | S52-T56 WeakPolarHBondContact O-CB 3.36Å; S52-T56 PolarHBondContact O-N 3Å; S52-T56 PolarHBondContact O-OG1 3.41Å; R53-T56 PolarHBondContact O-N 2.99Å; V54-T56 PolarHBondContact O-N 3.38Å; T56-S59 PolarHBondContact O-N 3.12Å; T56-S60 PolarHBondContact O-N 2.8Å |
| 57 | E | 95 | Very high | 93 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.6 | -45.2 | -176.1 | -167.9 | 55.8 | -142.6 | 0 | 0 | 111.2 | V12 R53 V54 S59 S60 Q61 | V12-E57 HydrophobicContact CG2-CB 3.71Å; V12-E57 HydrophobicContact CG2-CG 3.52Å; R53-E57 WeakPolarHBondContact O-CB 3.48Å; R53-E57 PolarHBondContact O-N 2.74Å; V54-E57 PolarHBondContact O-N 3.49Å; E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.96Å; E57-S60 VanDerWaalsContact O-CB 3.31Å; E57-S60 WeakPolarHBondContact O-CB 3.03Å; E57-S60 PolarHBondContact O-N 3.41Å; E57-S60 VanDerWaalsContact O-N 3.09Å; E57-Q61 WeakPolarHBondContact O-CG 3.41Å; E57-Q61 PolarHBondContact O-N 3.49Å; E57-Q61 PolarHBondContact OE1-NE2 2.85Å |
| 58 | L | 95.5 | Very high | 91.8 | Very high | 68 Ų | 68 | 73.7 Ų | 73.7 | 36% | 0.356 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 174.7 | -72.8 | 177.1 | 0 | 0 | 0 | 111.7 | L9 V12 V54 S60 Q61 I62 | L9-L58 HydrophobicContact CD2-CD2 4.39Å; V12-L58 HydrophobicContact CG1-CD1 4.4Å; V12-L58 HydrophobicContact CG1-CD2 4.06Å; V12-L58 HydrophobicContact CG1-CG 4.07Å; V54-L58 HydrophobicContact CG1-CD1 3.69Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 VanDerWaalsContact O-CB 3.31Å; V54-L58 WeakPolarHBondContact O-CB 3.38Å; V54-L58 VanDerWaalsContact O-CG 3.32Å; V54-L58 WeakPolarHBondContact O-CG 3.39Å; V54-L58 PolarHBondContact O-N 3.38Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.26Å; L58-Q61 PolarHBondContact O-N 2.94Å; L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.48Å |
| 59 | S | 95.1 | Very high | 90.5 | Very high | 49 Ų | 49 | 74.2 Ų | 74.2 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 174.9 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | E55 T56 E57 K63 | E55-S59 WeakPolarHBondContact O-CB 3.2Å; E55-S59 PolarHBondContact O-N 3.31Å; E55-S59 PolarHBondContact O-OG 2.78Å; T56-S59 PolarHBondContact O-N 3.12Å; E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.96Å; S59-K63 WeakPolarHBondContact O-CB 3.5Å; S59-K63 VanDerWaalsContact O-CG 3.26Å; S59-K63 WeakPolarHBondContact O-CG 3.43Å; S59-K63 PolarHBondContact O-N 3.35Å |
| 60 | S | 91.8 | Very high | 89 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | T56 E57 L58 K63 Y64 | T56-S60 PolarHBondContact O-N 2.8Å; E57-S60 VanDerWaalsContact O-CB 3.31Å; E57-S60 WeakPolarHBondContact O-CB 3.03Å; E57-S60 PolarHBondContact O-N 3.41Å; E57-S60 VanDerWaalsContact O-N 3.09Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.26Å; S60-K63 PolarHBondContact O-N 3.32Å; S60-Y64 PolarHBondContact O-N 3.37Å |
| 61 | Q | 89.3 | Confident | 87 | Confident | 16 Ų | 16 | 79.8 Ų | 79.8 | 8% | 0.075 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.9 | -61.4 | -59.3 | -22 | 0 | 0 | 112 | L9 E57 L58 Y64 L65 | L9-Q61 HydrophobicContact CD2-CG 4.09Å; E57-Q61 WeakPolarHBondContact O-CG 3.41Å; E57-Q61 PolarHBondContact O-N 3.49Å; E57-Q61 PolarHBondContact OE1-NE2 2.85Å; L58-Q61 PolarHBondContact O-N 2.94Å; Q61-Y64 PolarHBondContact O-N 2.97Å; Q61-L65 WeakPolarHBondContact O-CB 3.45Å; Q61-L65 WeakPolarHBondContact O-CG 3.44Å; Q61-L65 PolarHBondContact O-N 3.42Å |
| 62 | I | 90.8 | Very high | 84.9 | Confident | 107 Ų | 107 | 82.7 Ų | 82.7 | 55% | 0.549 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 175.1 | -69.4 | 165.5 | 0 | 0 | 0 | 110.9 | L58 Y64 L65 T66 | L58-I62 VanDerWaalsContact O-CG1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.48Å; I62-Y64 VanDerWaalsContact C-N 3.32Å; I62-Y64 PolarHBondContact O-N 2.94Å; I62-L65 PolarHBondContact O-N 2.75Å; I62-T66 WeakPolarHBondContact O-CB 3.26Å; I62-T66 PolarHBondContact O-N 3.17Å; I62-T66 PolarHBondContact O-OG1 2.89Å |
| 63 | K | 88.1 | Confident | 82.5 | Confident | 150 Ų | 150 | 84.7 Ų | 84.7 | 65% | 0.652 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59 | -44.7 | 176.3 | -76.5 | 171.7 | -176 | 175.7 | 0 | 111.3 | S59 S60 T66 Q67 | S59-K63 WeakPolarHBondContact O-CB 3.5Å; S59-K63 VanDerWaalsContact O-CG 3.26Å; S59-K63 WeakPolarHBondContact O-CG 3.43Å; S59-K63 PolarHBondContact O-N 3.35Å; S60-K63 PolarHBondContact O-N 3.32Å; K63-T66 PolarHBondContact O-N 3.44Å; K63-Q67 WeakPolarHBondContact O-CB 3.35Å; K63-Q67 PolarHBondContact O-N 2.95Å |
| 64 | Y | 85.1 | Confident | 80.7 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 29% | 0.286 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 176.3 | 172.1 | -104.4 | 0 | 0 | 0 | 112.2 | R5 S60 Q61 I62 T66 Q67 V68 | R5-Y64 VanDerWaalsContact CD-CE1 3.5Å; R5-Y64 VanDerWaalsContact NE-CE1 3.28Å; R5-Y64 VanDerWaalsContact NH1-CB 3.3Å; R5-Y64 VanDerWaalsContact NH1-CG 3.29Å; S60-Y64 PolarHBondContact O-N 3.37Å; Q61-Y64 PolarHBondContact O-N 2.97Å; I62-Y64 VanDerWaalsContact C-N 3.32Å; I62-Y64 PolarHBondContact O-N 2.94Å; Y64-T66 PolarHBondContact O-N 3.09Å; Y64-Q67 WeakPolarHBondContact O-CB 3.27Å; Y64-Q67 PolarHBondContact O-N 3Å; Y64-V68 HydrophobicContact CD1-CG2 4.42Å; Y64-V68 HydrophobicContact CD2-CG1 3.96Å; Y64-V68 HydrophobicContact CE1-CG1 4.12Å; Y64-V68 HydrophobicContact CE1-CG2 4.11Å; Y64-V68 HydrophobicContact CE2-CG1 3.44Å; Y64-V68 VanDerWaalsContact CE2-CG1 3.44Å; Y64-V68 WeakPolarHBondContact O-CG2 3.42Å; Y64-V68 PolarHBondContact O-N 3.32Å |
| 65 | L | 83.6 | Confident | 78.5 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.8 | -42.4 | 177.8 | -77.4 | 172.2 | 0 | 0 | 0 | 111 | Q61 I62 Q67 V68 A69 | Q61-L65 WeakPolarHBondContact O-CB 3.45Å; Q61-L65 WeakPolarHBondContact O-CG 3.44Å; Q61-L65 PolarHBondContact O-N 3.42Å; I62-L65 PolarHBondContact O-N 2.75Å; L65-Q67 PolarHBondContact O-N 2.86Å; L65-V68 WeakPolarHBondContact O-CG2 3.41Å; L65-V68 PolarHBondContact O-N 2.7Å; L65-A69 WeakPolarHBondContact O-CB 3.31Å; L65-A69 PolarHBondContact O-N 3.03Å |
| 66 | T | 83.4 | Confident | 76.5 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 174.3 | -55.6 | 0 | 0 | 0 | 0 | 111 | I62 K63 Y64 T70 | I62-T66 WeakPolarHBondContact O-CB 3.26Å; I62-T66 PolarHBondContact O-N 3.17Å; I62-T66 PolarHBondContact O-OG1 2.89Å; K63-T66 PolarHBondContact O-N 3.44Å; Y64-T66 PolarHBondContact O-N 3.09Å; T66-T70 HydrophobicContact CG2-CG2 4.34Å; T66-T70 WeakPolarHBondContact O-CB 3.49Å; T66-T70 WeakPolarHBondContact O-CG2 3.21Å; T66-T70 PolarHBondContact O-N 2.94Å; T66-T70 VanDerWaalsContact O-N 3.07Å; T66-T70 PolarHBondContact O-OG1 2.66Å |
| 67 | Q | 79.1 | Confident | 74.7 | Confident | 114 Ų | 114 | 85.1 Ų | 85.1 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 178.8 | -174.4 | 179.8 | -3.8 | 0 | 0 | 112.2 | K63 Y64 L65 T70 Q72 | K63-Q67 WeakPolarHBondContact O-CB 3.35Å; K63-Q67 PolarHBondContact O-N 2.95Å; Y64-Q67 WeakPolarHBondContact O-CB 3.27Å; Y64-Q67 PolarHBondContact O-N 3Å; L65-Q67 PolarHBondContact O-N 2.86Å; Q67-T70 PolarHBondContact O-OG1 3.42Å; Q67-Q72 HydrophobicContact CG-CB 3.99Å; Q67-Q72 HydrophobicContact CG-CG 4.17Å; Q67-Q72 WeakPolarHBondContact O-CB 3.37Å; Q67-Q72 PolarHBondContact O-N 3.46Å |
| 68 | V | 74.2 | Confident | 73.1 | Confident | 46 Ų | 46 | 86.7 Ų | 86.7 | 28% | 0.279 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.9 | -31.9 | -177.8 | -59 | 0 | 0 | 0 | 0 | 113.2 | Y64 L65 | Y64-V68 HydrophobicContact CD1-CG2 4.42Å; Y64-V68 HydrophobicContact CD2-CG1 3.96Å; Y64-V68 HydrophobicContact CE1-CG1 4.12Å; Y64-V68 HydrophobicContact CE1-CG2 4.11Å; Y64-V68 HydrophobicContact CE2-CG1 3.44Å; Y64-V68 VanDerWaalsContact CE2-CG1 3.44Å; Y64-V68 WeakPolarHBondContact O-CG2 3.42Å; Y64-V68 PolarHBondContact O-N 3.32Å; L65-V68 WeakPolarHBondContact O-CG2 3.41Å; L65-V68 PolarHBondContact O-N 2.7Å |
| 69 | A | 70.9 | Confident | 71.8 | Confident | 86 Ų | 86 | 91 Ų | 91 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -76.9 | -26.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L65 G71 | L65-A69 WeakPolarHBondContact O-CB 3.31Å; L65-A69 PolarHBondContact O-N 3.03Å; A69-G71 VanDerWaalsContact C-N 3.25Å; A69-G71 PolarHBondContact O-N 3.42Å |
| 70 | T | 67.2 | Low | 70.6 | Confident | 101 Ų | 101 | 91.3 Ų | 91.3 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.6 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | T66 Q67 | T66-T70 HydrophobicContact CG2-CG2 4.34Å; T66-T70 WeakPolarHBondContact O-CB 3.49Å; T66-T70 WeakPolarHBondContact O-CG2 3.21Å; T66-T70 PolarHBondContact O-N 2.94Å; T66-T70 VanDerWaalsContact O-N 3.07Å; T66-T70 PolarHBondContact O-OG1 2.66Å; Q67-T70 PolarHBondContact O-OG1 3.42Å |
| 71 | G | 54.7 | Low | 70 | Confident | 59 Ų | 59 | 91.8 Ų | 91.8 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 21.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A69 | A69-G71 VanDerWaalsContact C-N 3.25Å; A69-G71 PolarHBondContact O-N 3.42Å |
| 72 | Q | 53.5 | Low | 69.7 | Low | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | trans | -58.7 | 131.4 | 166 | -75.9 | -79.2 | -33.7 | 0 | 0 | 108.6 | Q67 H74 | Q67-Q72 HydrophobicContact CG-CB 3.99Å; Q67-Q72 HydrophobicContact CG-CG 4.17Å; Q67-Q72 WeakPolarHBondContact O-CB 3.37Å; Q67-Q72 PolarHBondContact O-N 3.46Å; Q72-H74 VanDerWaalsContact C-N 3.28Å; Q72-H74 PolarHBondContact O-N 3.07Å; Q72-H74 PolarHBondContact O-ND1 2.82Å | ||
| 73 | P | 48.6 | Very low | 69.4 | Low | 105 Ų | 105 | 99.2 Ų | 99.2 | 68% | 0.682 | 55% | 0.545 | S | S | * | . | trans | -68.7 | 91 | -174.4 | 27.8 | -31.9 | 0 | 0 | 0 | 108.3 | E75 | P73-E75 PolarHBondContact O-N 3.29Š| ||
| 74 | H | 56.6 | Low | 69.4 | Low | 106 Ų | 106 | 96 Ų | 96 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | trans | -61.6 | 127.8 | 159.9 | 46.1 | -65.4 | 0 | 0 | 0 | 106 | Q72 G76 S77 | Q72-H74 VanDerWaalsContact C-N 3.28Å; Q72-H74 PolarHBondContact O-N 3.07Å; Q72-H74 PolarHBondContact O-ND1 2.82Å; H74-G76 PolarHBondContact O-N 3.44Å; H74-S77 VanDerWaalsContact CE1-CB 3.46Å; H74-S77 WeakPolarHBondContact CE1-CB 3.33Å; H74-S77 WeakPolarHBondContact NE2-CB 3.33Å; H74-S77 PolarHBondContact O-N 2.92Å | ||
| 75 | E | 51.9 | Low | 69.7 | Low | 207 Ų | 207 | 96.5 Ų | 96.5 | 97% | 0.967 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | 102.5 | 174.4 | -66.1 | 174.9 | 159.1 | 0 | 0 | 108.8 | P73 | P73-E75 PolarHBondContact O-N 3.29Š|
| 76 | G | 55.9 | Low | 70.2 | Confident | 68 Ų | 68 | 96.2 Ų | 96.2 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | 30.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | H74 T78 | H74-G76 PolarHBondContact O-N 3.44Å; G76-T78 PolarHBondContact O-N 3.32Å |
| 77 | S | 58.1 | Low | 70.8 | Confident | 19 Ų | 19 | 95.7 Ų | 95.7 | 13% | 0.133 | 54% | 0.538 | C | S | . | . | trans | -58.6 | 114.2 | 166.8 | 78.5 | 0 | 0 | 0 | 0 | 110.1 | H74 Y79 S80 A81 | H74-S77 VanDerWaalsContact CE1-CB 3.46Å; H74-S77 WeakPolarHBondContact CE1-CB 3.33Å; H74-S77 WeakPolarHBondContact NE2-CB 3.33Å; H74-S77 PolarHBondContact O-N 2.92Å; S77-Y79 PolarHBondContact O-N 3.19Å; S77-S80 PolarHBondContact O-N 3.34Å; S77-S80 VanDerWaalsContact OG-CB 3.23Å; S77-S80 WeakPolarHBondContact OG-CB 3.3Å; S77-S80 PolarHBondContact OG-N 2.96Å; S77-A81 PolarHBondContact O-N 2.98Å | ||
| 78 | T | 62.6 | Low | 71.7 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -50.5 | -25.3 | 169.9 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | G76 R82 | G76-T78 PolarHBondContact O-N 3.32Å; T78-R82 HydrophobicContact CG2-CG 4.43Å; T78-R82 WeakPolarHBondContact O-CB 3.2Å; T78-R82 VanDerWaalsContact O-CG 3.3Å; T78-R82 WeakPolarHBondContact O-CG 3.28Å; T78-R82 PolarHBondContact O-N 2.91Å |
| 79 | Y | 68 | Low | 72.8 | Confident | 160 Ų | 160 | 95.3 Ų | 95.3 | 63% | 0.627 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.5 | -48.6 | 172.3 | -175.9 | -105.1 | 0 | 0 | 0 | 113.5 | S77 R82 K83 | S77-Y79 PolarHBondContact O-N 3.19Å; Y79-R82 PolarHBondContact O-N 3.06Å; Y79-K83 HydrophobicContact CE1-CD 4.35Å; Y79-K83 VanDerWaalsContact O-CB 3.28Å; Y79-K83 WeakPolarHBondContact O-CB 3.23Å; Y79-K83 PolarHBondContact O-N 3.02Å |
| 80 | S | 68.4 | Low | 74.1 | Confident | 55 Ų | 55 | 95.6 Ų | 95.6 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.8 | -165.3 | 0 | 0 | 0 | 0 | 110.6 | S77 R82 K83 D84 | S77-S80 PolarHBondContact O-N 3.34Å; S77-S80 VanDerWaalsContact OG-CB 3.23Å; S77-S80 WeakPolarHBondContact OG-CB 3.3Å; S77-S80 PolarHBondContact OG-N 2.96Å; S80-R82 VanDerWaalsContact C-N 3.33Å; S80-R82 PolarHBondContact O-N 2.85Å; S80-K83 PolarHBondContact O-N 3.26Å; S80-K83 VanDerWaalsContact O-N 3.11Å; S80-D84 WeakPolarHBondContact O-CB 3.48Å; S80-D84 PolarHBondContact O-N 2.79Å; S80-D84 PolarHBondContact OG-OD2 2.76Å |
| 81 | A | 79.6 | Confident | 75.5 | Confident | 63 Ų | 63 | 99 Ų | 99 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S77 C85 | S77-A81 PolarHBondContact O-N 2.98Å; A81-C85 VanDerWaalsContact O-CB 3.25Å; A81-C85 WeakPolarHBondContact O-CB 3.48Å; A81-C85 PolarHBondContact O-N 2.65Å |
| 82 | R | 82.8 | Confident | 77.6 | Confident | 169 Ų | 169 | 99.1 Ų | 99.1 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 173.8 | -84.8 | -166.5 | -71 | -174.2 | -4.1 | 112.7 | T78 Y79 S80 C85 Q86 | T78-R82 HydrophobicContact CG2-CG 4.43Å; T78-R82 WeakPolarHBondContact O-CB 3.2Å; T78-R82 VanDerWaalsContact O-CG 3.3Å; T78-R82 WeakPolarHBondContact O-CG 3.28Å; T78-R82 PolarHBondContact O-N 2.91Å; Y79-R82 PolarHBondContact O-N 3.06Å; S80-R82 VanDerWaalsContact C-N 3.33Å; S80-R82 PolarHBondContact O-N 2.85Å; R82-C85 PolarHBondContact O-N 3.38Å; R82-Q86 WeakPolarHBondContact O-CB 3.46Å; R82-Q86 PolarHBondContact O-N 2.86Å |
| 83 | K | 85.4 | Confident | 79.7 | Confident | 110 Ų | 110 | 97.8 Ų | 97.8 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 178.6 | -174 | -178.1 | 177 | -175.8 | 0 | 110.9 | Y79 S80 Q86 M87 | Y79-K83 HydrophobicContact CE1-CD 4.35Å; Y79-K83 VanDerWaalsContact O-CB 3.28Å; Y79-K83 WeakPolarHBondContact O-CB 3.23Å; Y79-K83 PolarHBondContact O-N 3.02Å; S80-K83 PolarHBondContact O-N 3.26Å; S80-K83 VanDerWaalsContact O-N 3.11Å; K83-Q86 PolarHBondContact O-N 3.23Å; K83-M87 HydrophobicContact CG-CE 4.29Å; K83-M87 WeakPolarHBondContact O-CB 3.49Å; K83-M87 WeakPolarHBondContact O-CG 3.25Å; K83-M87 PolarHBondContact O-N 3.44Å |
| 84 | D | 87.8 | Confident | 82 | Confident | 84 Ų | 84 | 99.9 Ų | 99.9 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 175.9 | -67.4 | -27.7 | 0 | 0 | 0 | 110.7 | S80 M87 A88 | S80-D84 WeakPolarHBondContact O-CB 3.48Å; S80-D84 PolarHBondContact O-N 2.79Å; S80-D84 PolarHBondContact OG-OD2 2.76Å; D84-M87 PolarHBondContact O-N 3.11Å; D84-M87 WeakPolarHBondContact OD1-CE 3.4Å; D84-A88 WeakPolarHBondContact O-CB 3.43Å; D84-A88 PolarHBondContact O-N 3.05Å |
| 85 | C | 91.1 | Very high | 84 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | A81 R82 M87 A88 L89 | A81-C85 VanDerWaalsContact O-CB 3.25Å; A81-C85 WeakPolarHBondContact O-CB 3.48Å; A81-C85 PolarHBondContact O-N 2.65Å; R82-C85 PolarHBondContact O-N 3.38Å; C85-M87 PolarHBondContact O-N 3.05Å; C85-A88 WeakPolarHBondContact O-CB 3.42Å; C85-A88 PolarHBondContact O-N 3.35Å; C85-L89 WeakPolarHBondContact O-CB 3.3Å; C85-L89 PolarHBondContact O-N 3.35Å |
| 86 | Q | 94.6 | Very high | 86.2 | Confident | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.6 | -175.3 | 62.7 | 52 | 0 | 0 | 111.9 | R82 K83 L89 N90 | R82-Q86 WeakPolarHBondContact O-CB 3.46Å; R82-Q86 PolarHBondContact O-N 2.86Å; K83-Q86 PolarHBondContact O-N 3.23Å; Q86-L89 WeakPolarHBondContact O-CB 3.37Å; Q86-L89 PolarHBondContact O-N 2.91Å; Q86-N90 PolarHBondContact NE2-OD1 3.17Å; Q86-N90 PolarHBondContact O-N 3.35Å; Q86-N90 PolarHBondContact O-OD1 2.96Å |
| 87 | M | 96.8 | Very high | 88.2 | Confident | 66 Ų | 66 | 95 Ų | 95 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.9 | -74.3 | -169.8 | -63.8 | 0 | 0 | 111.7 | K83 D84 C85 L89 N90 R91 | K83-M87 HydrophobicContact CG-CE 4.29Å; K83-M87 WeakPolarHBondContact O-CB 3.49Å; K83-M87 WeakPolarHBondContact O-CG 3.25Å; K83-M87 PolarHBondContact O-N 3.44Å; D84-M87 PolarHBondContact O-N 3.11Å; D84-M87 WeakPolarHBondContact OD1-CE 3.4Å; C85-M87 PolarHBondContact O-N 3.05Å; M87-L89 VanDerWaalsContact C-N 3.33Å; M87-N90 PolarHBondContact O-N 3Å; M87-R91 VanDerWaalsContact O-CG 3.3Å; M87-R91 WeakPolarHBondContact O-CG 3.38Å; M87-R91 PolarHBondContact O-N 2.86Å |
| 88 | A | 97.1 | Very high | 90.1 | Very high | 52 Ų | 52 | 98.2 Ų | 98.2 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D84 C85 R91 A92 | D84-A88 WeakPolarHBondContact O-CB 3.43Å; D84-A88 PolarHBondContact O-N 3.05Å; C85-A88 WeakPolarHBondContact O-CB 3.42Å; C85-A88 PolarHBondContact O-N 3.35Å; A88-R91 PolarHBondContact O-N 2.94Å; A88-A92 PolarHBondContact O-N 2.88Å |
| 89 | L | 97.6 | Very high | 91.7 | Very high | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 175.3 | -161.5 | 86.2 | 0 | 0 | 0 | 111.5 | C85 Q86 M87 R91 A92 E93 | C85-L89 WeakPolarHBondContact O-CB 3.3Å; C85-L89 PolarHBondContact O-N 3.35Å; Q86-L89 WeakPolarHBondContact O-CB 3.37Å; Q86-L89 PolarHBondContact O-N 2.91Å; M87-L89 VanDerWaalsContact C-N 3.33Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.47Å; L89-A92 PolarHBondContact O-N 2.99Å; L89-A92 VanDerWaalsContact O-N 3.17Å; L89-E93 PolarHBondContact O-N 2.8Å |
| 90 | N | 97.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 93.2 Ų | 93.2 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 177.7 | -68.2 | -4.1 | 0 | 0 | 0 | 111.8 | Q86 M87 Y94 | Q86-N90 PolarHBondContact NE2-OD1 3.17Å; Q86-N90 PolarHBondContact O-N 3.35Å; Q86-N90 PolarHBondContact O-OD1 2.96Å; M87-N90 PolarHBondContact O-N 3Å; N90-Y94 WeakPolarHBondContact O-CB 3.49Å; N90-Y94 PolarHBondContact O-N 3.38Å |
| 91 | R | 97.9 | Very high | 94.4 | Very high | 174 Ų | 174 | 94.2 Ų | 94.2 | 66% | 0.657 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 175.7 | -71.9 | 170.5 | -175.6 | 159.1 | 2.1 | 111.8 | M87 A88 L89 Y94 A95 | M87-R91 VanDerWaalsContact O-CG 3.3Å; M87-R91 WeakPolarHBondContact O-CG 3.38Å; M87-R91 PolarHBondContact O-N 2.86Å; A88-R91 PolarHBondContact O-N 2.94Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.47Å; R91-Y94 PolarHBondContact O-N 2.93Å; R91-A95 PolarHBondContact O-N 3.04Å |
| 92 | A | 97.6 | Very high | 95.2 | Very high | 61 Ų | 61 | 96 Ų | 96 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A88 L89 Y94 A95 R96 | A88-A92 PolarHBondContact O-N 2.88Å; L89-A92 PolarHBondContact O-N 2.99Å; L89-A92 VanDerWaalsContact O-N 3.17Å; A92-Y94 PolarHBondContact O-N 3.3Å; A92-A95 PolarHBondContact O-N 3.38Å; A92-R96 PolarHBondContact O-N 3.29Å |
| 93 | E | 97.6 | Very high | 95.8 | Very high | 86 Ų | 86 | 89.5 Ų | 89.5 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.2 | -81.4 | -62.2 | 155.4 | 0 | 0 | 112.2 | L89 A95 R96 V97 | L89-E93 PolarHBondContact O-N 2.8Å; E93-A95 PolarHBondContact O-N 2.95Å; E93-R96 WeakPolarHBondContact O-CB 3.34Å; E93-R96 PolarHBondContact O-N 3.03Å; E93-R96 IonicContact OE1-CZ 3.65Å; E93-R96 IonicContact OE1-NE 3.84Å; E93-R96 IonicContact OE1-NH2 3.59Å; E93-R96 IonicContact OE2-CZ 3.1Å; E93-R96 IonicContact OE2-NE 3.05Å; E93-R96 PolarHBondContact OE2-NE 3.29Å; E93-R96 IonicContact OE2-NH2 2.65Å; E93-R96 PolarHBondContact OE2-NH2 3Å; E93-V97 WeakPolarHBondContact O-CG2 3.49Å; E93-V97 PolarHBondContact O-N 3.43Å |
| 94 | Y | 97.8 | Very high | 96.2 | Very high | 150 Ų | 150 | 91.5 Ų | 91.5 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 175.9 | -177.5 | -101.4 | 0 | 0 | 0 | 112.2 | N90 R91 A92 R96 V97 K98 | N90-Y94 WeakPolarHBondContact O-CB 3.49Å; N90-Y94 PolarHBondContact O-N 3.38Å; R91-Y94 PolarHBondContact O-N 2.93Å; A92-Y94 PolarHBondContact O-N 3.3Å; Y94-R96 VanDerWaalsContact C-N 3.33Å; Y94-R96 PolarHBondContact O-N 3.46Å; Y94-V97 PolarHBondContact O-N 3.02Å; Y94-K98 HydrophobicContact CD1-CG 4.3Å; Y94-K98 HydrophobicContact CE1-CG 3.85Å; Y94-K98 HydrophobicContact CE2-CG 4.32Å; Y94-K98 WeakPolarHBondContact O-CG 3.33Å; Y94-K98 PolarHBondContact O-N 2.91Å; Y94-K98 WeakPolarHBondContact OH-CE 3.49Å |
| 95 | A | 98.1 | Very high | 96.4 | Very high | 48 Ų | 48 | 91.2 Ų | 91.2 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R91 A92 E93 V97 K98 L99 | R91-A95 PolarHBondContact O-N 3.04Å; A92-A95 PolarHBondContact O-N 3.38Å; E93-A95 PolarHBondContact O-N 2.95Å; A95-V97 PolarHBondContact O-N 3.45Å; A95-K98 PolarHBondContact O-N 3.46Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.32Å |
| 96 | R | 97.8 | Very high | 96.4 | Very high | 162 Ų | 162 | 89.9 Ų | 89.9 | 61% | 0.611 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.2 | -46.7 | 175.5 | -174.9 | -175.1 | 70.1 | 149.1 | 1 | 111.7 | A92 E93 Y94 L99 G100 | A92-R96 PolarHBondContact O-N 3.29Å; E93-R96 WeakPolarHBondContact O-CB 3.34Å; E93-R96 PolarHBondContact O-N 3.03Å; E93-R96 IonicContact OE1-CZ 3.65Å; E93-R96 IonicContact OE1-NE 3.84Å; E93-R96 IonicContact OE1-NH2 3.59Å; E93-R96 IonicContact OE2-CZ 3.1Å; E93-R96 IonicContact OE2-NE 3.05Å; E93-R96 PolarHBondContact OE2-NE 3.29Å; E93-R96 IonicContact OE2-NH2 2.65Å; E93-R96 PolarHBondContact OE2-NH2 3Å; Y94-R96 VanDerWaalsContact C-N 3.33Å; Y94-R96 PolarHBondContact O-N 3.46Å; R96-L99 PolarHBondContact O-N 3.16Å; R96-G100 PolarHBondContact O-N 3.46Å |
| 97 | V | 97.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 91.5 Ų | 91.5 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | E93 Y94 A95 L99 G100 E101 | E93-V97 WeakPolarHBondContact O-CG2 3.49Å; E93-V97 PolarHBondContact O-N 3.43Å; Y94-V97 PolarHBondContact O-N 3.02Å; A95-V97 PolarHBondContact O-N 3.45Å; V97-L99 PolarHBondContact O-N 3.25Å; V97-G100 PolarHBondContact O-N 2.92Å; V97-G100 VanDerWaalsContact O-N 3.16Å; V97-E101 PolarHBondContact O-N 2.95Å |
| 98 | K | 97.9 | Very high | 95.8 | Very high | 86 Ų | 86 | 93.7 Ų | 93.7 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | -179.8 | -70.1 | -58.8 | 177.5 | -166.6 | 0 | 113.6 | Y94 A95 G100 E101 L102 | Y94-K98 HydrophobicContact CD1-CG 4.3Å; Y94-K98 HydrophobicContact CE1-CG 3.85Å; Y94-K98 HydrophobicContact CE2-CG 4.32Å; Y94-K98 WeakPolarHBondContact O-CG 3.33Å; Y94-K98 PolarHBondContact O-N 2.91Å; Y94-K98 WeakPolarHBondContact OH-CE 3.49Å; A95-K98 PolarHBondContact O-N 3.46Å; K98-G100 VanDerWaalsContact C-N 3.34Å; K98-E101 VanDerWaalsContact CD-OE2 3.28Å; K98-E101 WeakPolarHBondContact CD-OE2 3.28Å; K98-E101 IonicContact NZ-OE1 3.8Å; K98-E101 IonicContact NZ-OE2 2.77Å; K98-E101 PolarHBondContact NZ-OE2 3.36Å; K98-E101 PolarHBondContact O-N 3.5Å; K98-L102 PolarHBondContact O-N 2.77Å |
| 99 | L | 97.2 | Very high | 95.1 | Very high | 117 Ų | 117 | 98.3 Ų | 98.3 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 173.3 | -71.7 | 171.7 | 0 | 0 | 0 | 111.9 | A95 R96 V97 L102 G103 | A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 WeakPolarHBondContact O-CG 3.44Å; A95-L99 PolarHBondContact O-N 3.32Å; R96-L99 PolarHBondContact O-N 3.16Å; V97-L99 PolarHBondContact O-N 3.25Å; L99-L102 PolarHBondContact O-N 3.46Å; L99-G103 PolarHBondContact O-N 3.42Å |
| 100 | G | 96.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 100.1 Ų | 100.1 | 36% | 0.361 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | R96 V97 K98 R104 | R96-G100 PolarHBondContact O-N 3.46Å; V97-G100 PolarHBondContact O-N 2.92Å; V97-G100 VanDerWaalsContact O-N 3.16Å; K98-G100 VanDerWaalsContact C-N 3.34Å; G100-R104 WeakPolarHBondContact O-CG 3.45Å; G100-R104 PolarHBondContact O-N 3.3Å; G100-R104 PolarHBondContact O-NE 2.86Å |
| 101 | E | 96.5 | Very high | 92.9 | Very high | 75 Ų | 75 | 102.1 Ų | 102.1 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 169.8 | -71.9 | 172.2 | -175.3 | 0 | 0 | 111.5 | V97 K98 T105 | V97-E101 PolarHBondContact O-N 2.95Å; K98-E101 VanDerWaalsContact CD-OE2 3.28Å; K98-E101 WeakPolarHBondContact CD-OE2 3.28Å; K98-E101 IonicContact NZ-OE1 3.8Å; K98-E101 IonicContact NZ-OE2 2.77Å; K98-E101 PolarHBondContact NZ-OE2 3.36Å; K98-E101 PolarHBondContact O-N 3.5Å; E101-T105 PolarHBondContact O-N 3.09Å; E101-T105 VanDerWaalsContact O-N 3.09Å; E101-T105 PolarHBondContact O-OG1 3.03Å |
| 102 | L | 95.6 | Very high | 91.2 | Very high | 100 Ų | 100 | 99 Ų | 99 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 177.7 | -178.1 | 62.4 | 0 | 0 | 0 | 111.8 | K98 L99 R104 T105 C106 | K98-L102 PolarHBondContact O-N 2.77Å; L99-L102 PolarHBondContact O-N 3.46Å; L102-R104 PolarHBondContact O-N 2.86Å; L102-T105 WeakPolarHBondContact O-CA 3.15Å; L102-T105 WeakPolarHBondContact O-CB 3.45Å; L102-T105 PolarHBondContact O-N 3.09Å; L102-C106 PolarHBondContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 3.36Å; L102-C106 VanDerWaalsContact O-SG 3.41Å |
| 103 | G | 94.8 | Very high | 89.6 | Confident | 33 Ų | 33 | 105 Ų | 105 | 34% | 0.34 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -56.5 | -48 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L99 T105 C106 E107 | L99-G103 PolarHBondContact O-N 3.42Å; G103-T105 VanDerWaalsContact C-N 3.27Å; G103-T105 PolarHBondContact O-N 2.94Å; G103-C106 WeakPolarHBondContact O-CB 3.34Å; G103-C106 PolarHBondContact O-N 3.18Å; G103-E107 WeakPolarHBondContact O-CG 3.2Å; G103-E107 PolarHBondContact O-N 3.33Å |
| 104 | R | 93.5 | Very high | 87.7 | Confident | 153 Ų | 153 | 110.5 Ų | 110.5 | 58% | 0.577 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.2 | -38 | 174.2 | -76.7 | -179.8 | -77.7 | 165.2 | -5.1 | 112.7 | G100 L102 E107 V108 | G100-R104 WeakPolarHBondContact O-CG 3.45Å; G100-R104 PolarHBondContact O-N 3.3Å; G100-R104 PolarHBondContact O-NE 2.86Å; L102-R104 PolarHBondContact O-N 2.86Å; R104-E107 PolarHBondContact O-N 3.34Å; R104-V108 WeakPolarHBondContact O-CG2 3.5Å; R104-V108 PolarHBondContact O-N 3Å; R104-V108 VanDerWaalsContact O-N 3.09Å |
| 105 | T | 92.7 | Very high | 87.2 | Confident | 77 Ų | 77 | 108.6 Ų | 108.6 | 47% | 0.472 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.8 | -43.4 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | E101 L102 G103 V108 M109 | E101-T105 PolarHBondContact O-N 3.09Å; E101-T105 VanDerWaalsContact O-N 3.09Å; E101-T105 PolarHBondContact O-OG1 3.03Å; L102-T105 WeakPolarHBondContact O-CA 3.15Å; L102-T105 WeakPolarHBondContact O-CB 3.45Å; L102-T105 PolarHBondContact O-N 3.09Å; G103-T105 VanDerWaalsContact C-N 3.27Å; G103-T105 PolarHBondContact O-N 2.94Å; T105-V108 PolarHBondContact O-N 3.41Å; T105-M109 HydrophobicContact CG2-SD 4.32Å; T105-M109 VanDerWaalsContact O-CG 3.31Å; T105-M109 WeakPolarHBondContact O-CG 3.36Å; T105-M109 PolarHBondContact O-N 3.2Å |
| 106 | C | 91.5 | Very high | 86.6 | Confident | 56 Ų | 56 | 111.7 Ų | 111.7 | 38% | 0.378 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.2 | -42.2 | 175.3 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | L102 G103 M109 L110 | L102-C106 PolarHBondContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 3.36Å; L102-C106 VanDerWaalsContact O-SG 3.41Å; G103-C106 WeakPolarHBondContact O-CB 3.34Å; G103-C106 PolarHBondContact O-N 3.18Å; C106-M109 PolarHBondContact O-N 2.97Å; C106-L110 WeakPolarHBondContact O-CB 3.48Å; C106-L110 WeakPolarHBondContact O-CD1 3.31Å; C106-L110 WeakPolarHBondContact O-CG 3.38Å; C106-L110 PolarHBondContact O-N 2.89Å |
| 107 | E | 90.6 | Very high | 86 | Confident | 132 Ų | 132 | 108.9 Ų | 108.9 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.3 | -47.4 | 174.9 | -73 | 171.2 | 176.5 | 0 | 0 | 111.6 | G103 R104 M109 L110 D111 | G103-E107 WeakPolarHBondContact O-CG 3.2Å; G103-E107 PolarHBondContact O-N 3.33Å; R104-E107 PolarHBondContact O-N 3.34Å; E107-M109 VanDerWaalsContact C-N 3.28Å; E107-M109 PolarHBondContact O-N 3.34Å; E107-L110 PolarHBondContact O-N 3.04Å; E107-L110 VanDerWaalsContact O-N 3.13Å; E107-D111 PolarHBondContact O-N 3.01Å |
| 108 | V | 88.6 | Confident | 85.3 | Confident | 112 Ų | 112 | 111.4 Ų | 111.4 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.6 | -35.4 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | R104 T105 L110 | R104-V108 WeakPolarHBondContact O-CG2 3.5Å; R104-V108 PolarHBondContact O-N 3Å; R104-V108 VanDerWaalsContact O-N 3.09Å; T105-V108 PolarHBondContact O-N 3.41Å; V108-L110 VanDerWaalsContact C-N 3.35Å |
| 109 | M | 82.4 | Confident | 84.5 | Confident | 148 Ų | 148 | 112.9 Ų | 112.9 | 73% | 0.729 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.1 | -25 | 177.3 | -69.9 | -179 | 73.7 | 0 | 0 | 113.3 | T105 C106 E107 | T105-M109 HydrophobicContact CG2-SD 4.32Å; T105-M109 VanDerWaalsContact O-CG 3.31Å; T105-M109 WeakPolarHBondContact O-CG 3.36Å; T105-M109 PolarHBondContact O-N 3.2Å; C106-M109 PolarHBondContact O-N 2.97Å; E107-M109 VanDerWaalsContact C-N 3.28Å; E107-M109 PolarHBondContact O-N 3.34Å |
| 110 | L | 80.1 | Confident | 83.6 | Confident | 137 Ų | 137 | 112.7 Ų | 112.7 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -90.3 | -22.8 | -177.3 | -72.5 | 167.3 | 0 | 0 | 0 | 113.2 | C106 E107 V108 P112 | C106-L110 WeakPolarHBondContact O-CB 3.48Å; C106-L110 WeakPolarHBondContact O-CD1 3.31Å; C106-L110 WeakPolarHBondContact O-CG 3.38Å; C106-L110 PolarHBondContact O-N 2.89Å; E107-L110 PolarHBondContact O-N 3.04Å; E107-L110 VanDerWaalsContact O-N 3.13Å; V108-L110 VanDerWaalsContact C-N 3.35Å; L110-P112 VanDerWaalsContact C-CD 3.41Å; L110-P112 WeakPolarHBondContact O-CD 3.04Å |
| 111 | D | 69 | Low | 82.7 | Confident | 134 Ų | 134 | 118.2 Ų | 118.2 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -98.7 | 83.9 | 165.4 | -93.2 | -24.5 | 0 | 0 | 0 | 109.7 | E107 Q113 | E107-D111 PolarHBondContact O-N 3.01Å; D111-Q113 PolarHBondContact O-N 3.01Å |
| 112 | P | 62.1 | Low | 81.7 | Confident | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 67% | 0.665 | S | S | * | * | trans | -62.8 | 113.3 | 170.3 | 27.8 | -32.4 | 0 | 0 | 0 | 107.6 | L110 | L110-P112 VanDerWaalsContact C-CD 3.41Å; L110-P112 WeakPolarHBondContact O-CD 3.04Å | ||
| 113 | Q | 63.3 | Low | 80.5 | Confident | 187 Ų | 187 | 123.3 Ų | 123.3 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | -53.8 | 136 | 168.7 | -74.6 | -166.2 | -66.3 | 0 | 0 | 109 | D111 | D111-Q113 PolarHBondContact O-N 3.01Š| ||
| 114 | P | 57.4 | Low | 79.2 | Confident | 201 Ų | 201 | 131.5 Ų | 131.5 | 100% | 1.305 | 71% | 0.707 | S | S | * | * | trans | -63.8 | 0 | 176.6 | 27.6 | -34.3 | 0 | 0 | 0 | 112.8 |
Retrieved 114 of 114 residues in 440.2 ms
(Link to these results)