| 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 | 49.5 | Very low | 64.2 | Low | 206 Ų | 206 | 99 Ų | 99 | 100% | 1.015 | 52% | 0.523 | S | S | * | . | 0 | 4 | 0 | -66.4 | -165.9 | 175 | 0 | 0 | 114.1 | |||||
| 2 | H | 55.1 | Low | 64.5 | Low | 93 Ų | 93 | 98.2 Ų | 98.2 | 43% | 0.431 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78 | -32.7 | -173.2 | -54.7 | -69.1 | 0 | 0 | 0 | 115.6 | T4 F5 I6 | H2-T4 VanDerWaalsContact C-N 3.26Å; H2-T4 PolarHBondContact O-N 3.47Å; H2-F5 WeakPolarHBondContact O-CB 3.41Å; H2-F5 PolarHBondContact O-N 3.42Å; H2-F5 VanDerWaalsContact O-N 3.12Å; H2-I6 PolarHBondContact O-N 2.99Å; H2-I6 VanDerWaalsContact O-N 3.15Å |
| 3 | L | 57.2 | Low | 64.7 | Low | 137 Ų | 137 | 93.8 Ų | 93.8 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -36.5 | 179 | -147.6 | 149.5 | 0 | 0 | 0 | 110.6 | F5 I6 V7 | L3-F5 PolarHBondContact O-N 3.33Å; L3-I6 PolarHBondContact O-N 2.89Å; L3-V7 HydrophobicContact CD2-CG2 3.89Å; L3-V7 WeakPolarHBondContact O-CB 3.27Å; L3-V7 VanDerWaalsContact O-CG2 3.23Å; L3-V7 WeakPolarHBondContact O-CG2 3.23Å; L3-V7 PolarHBondContact O-N 2.95Å |
| 4 | T | 62.8 | Low | 64.8 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 172.5 | -41.4 | 0 | 0 | 0 | 0 | 111.8 | H2 V7 T8 | H2-T4 VanDerWaalsContact C-N 3.26Å; H2-T4 PolarHBondContact O-N 3.47Å; T4-V7 PolarHBondContact O-N 3.31Å; T4-T8 VanDerWaalsContact O-CB 3.23Å; T4-T8 WeakPolarHBondContact O-CB 3.44Å; T4-T8 PolarHBondContact O-N 3.22Å; T4-T8 PolarHBondContact O-OG1 2.89Å |
| 5 | F | 68.1 | Low | 64.5 | Low | 105 Ų | 105 | 94.8 Ų | 94.8 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 177.9 | -179.9 | -98.7 | 0 | 0 | 0 | 111.9 | H2 L3 V7 T8 F9 | H2-F5 WeakPolarHBondContact O-CB 3.41Å; H2-F5 PolarHBondContact O-N 3.42Å; H2-F5 VanDerWaalsContact O-N 3.12Å; L3-F5 PolarHBondContact O-N 3.33Å; F5-V7 PolarHBondContact O-N 3.47Å; F5-T8 PolarHBondContact O-N 3.22Å; F5-F9 VanDerWaalsContact O-CB 3.24Å; F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 PolarHBondContact O-N 3.46Å |
| 6 | I | 72.1 | Confident | 64.1 | Low | 102 Ų | 102 | 95.8 Ų | 95.8 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 178 | -62.6 | 172.8 | 0 | 0 | 0 | 110 | H2 L3 F9 T10 | H2-I6 PolarHBondContact O-N 2.99Å; H2-I6 VanDerWaalsContact O-N 3.15Å; L3-I6 PolarHBondContact O-N 2.89Å; I6-F9 PolarHBondContact O-N 3.37Å; I6-T10 WeakPolarHBondContact O-CB 3.46Å; I6-T10 PolarHBondContact O-N 3.34Å; I6-T10 PolarHBondContact O-OG1 2.95Å |
| 7 | V | 68.5 | Low | 63.7 | Low | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 179.1 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L3 T4 F5 F9 T10 V11 | L3-V7 HydrophobicContact CD2-CG2 3.89Å; L3-V7 WeakPolarHBondContact O-CB 3.27Å; L3-V7 VanDerWaalsContact O-CG2 3.23Å; L3-V7 WeakPolarHBondContact O-CG2 3.23Å; L3-V7 PolarHBondContact O-N 2.95Å; T4-V7 PolarHBondContact O-N 3.31Å; F5-V7 PolarHBondContact O-N 3.47Å; V7-F9 VanDerWaalsContact C-N 3.32Å; V7-F9 PolarHBondContact O-N 3.43Å; V7-T10 PolarHBondContact O-N 3.34Å; V7-V11 HydrophobicContact CG1-CG2 4.32Å; V7-V11 WeakPolarHBondContact O-CB 3.41Å; V7-V11 VanDerWaalsContact O-CG2 3.23Å; V7-V11 WeakPolarHBondContact O-CG2 3.3Å; V7-V11 PolarHBondContact O-N 3.4Å |
| 8 | T | 66.9 | Low | 63.2 | Low | 74 Ų | 74 | 97.3 Ų | 97.3 | 45% | 0.454 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | T4 F5 V11 L12 | T4-T8 VanDerWaalsContact O-CB 3.23Å; T4-T8 WeakPolarHBondContact O-CB 3.44Å; T4-T8 PolarHBondContact O-N 3.22Å; T4-T8 PolarHBondContact O-OG1 2.89Å; F5-T8 PolarHBondContact O-N 3.22Å; T8-V11 PolarHBondContact O-N 3.11Å; T8-L12 HydrophobicContact CG2-CD1 4.02Å; T8-L12 HydrophobicContact CG2-CG 4.5Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 VanDerWaalsContact O-CG 3.3Å; T8-L12 WeakPolarHBondContact O-CG 3.24Å; T8-L12 PolarHBondContact O-N 2.94Å |
| 9 | F | 70.4 | Confident | 62.7 | Low | 68 Ų | 68 | 96.5 Ų | 96.5 | 30% | 0.298 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 177.4 | -171.5 | -115.6 | 0 | 0 | 0 | 111.8 | F5 I6 V7 V11 L12 I13 F38 I42 | F5-F9 VanDerWaalsContact O-CB 3.24Å; F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 PolarHBondContact O-N 3.46Å; I6-F9 PolarHBondContact O-N 3.37Å; V7-F9 VanDerWaalsContact C-N 3.32Å; V7-F9 PolarHBondContact O-N 3.43Å; F9-V11 VanDerWaalsContact C-N 3.34Å; F9-V11 PolarHBondContact O-N 2.67Å; F9-L12 PolarHBondContact O-N 2.89Å; F9-I13 HydrophobicContact CD1-CD1 3.6Å; F9-I13 HydrophobicContact CD2-CD1 4.48Å; F9-I13 HydrophobicContact CE1-CD1 3.48Å; F9-I13 VanDerWaalsContact CE1-CD1 3.48Å; F9-I13 HydrophobicContact CE2-CD1 4.35Å; F9-I13 HydrophobicContact CG-CD1 4.13Å; F9-I13 HydrophobicContact CZ-CD1 3.86Å; F9-I13 WeakPolarHBondContact O-CD1 3.23Å; F9-I13 VanDerWaalsContact O-CG1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.49Å; F9-I13 PolarHBondContact O-N 2.97Å; F9-F38 HydrophobicContact CD1-CE2 4.18Å; F9-F38 AromaticContact CD1-CZ 3.85Å; F9-F38 HydrophobicContact CD1-CZ 3.85Å; F9-F38 AromaticContact CE1-CE2 3.36Å; F9-F38 HydrophobicContact CE1-CE2 3.36Å; F9-F38 AromaticContact CE1-CZ 3.47Å; F9-F38 HydrophobicContact CE1-CZ 3.47Å; F9-F38 VanDerWaalsContact CE1-CZ 3.47Å; F9-F38 HydrophobicContact CZ-CE2 4.06Å; F9-I42 HydrophobicContact CD1-CG1 4.41Å; F9-I42 HydrophobicContact CE1-CD1 4.29Å; F9-I42 HydrophobicContact CE1-CG1 3.91Å |
| 10 | T | 70.7 | Confident | 62.4 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 174.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | I6 V7 I13 L14 | I6-T10 WeakPolarHBondContact O-CB 3.46Å; I6-T10 PolarHBondContact O-N 3.34Å; I6-T10 PolarHBondContact O-OG1 2.95Å; V7-T10 PolarHBondContact O-N 3.34Å; T10-I13 PolarHBondContact O-N 3.39Å; T10-L14 HydrophobicContact CG2-CD1 4.11Å; T10-L14 WeakPolarHBondContact O-CG 3.27Å; T10-L14 PolarHBondContact O-N 3.07Å |
| 11 | V | 65.4 | Low | 62.2 | Low | 76 Ų | 76 | 95.4 Ų | 95.4 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V7 T8 F9 I13 L14 V15 | V7-V11 HydrophobicContact CG1-CG2 4.32Å; V7-V11 WeakPolarHBondContact O-CB 3.41Å; V7-V11 VanDerWaalsContact O-CG2 3.23Å; V7-V11 WeakPolarHBondContact O-CG2 3.3Å; V7-V11 PolarHBondContact O-N 3.4Å; T8-V11 PolarHBondContact O-N 3.11Å; F9-V11 VanDerWaalsContact C-N 3.34Å; F9-V11 PolarHBondContact O-N 2.67Å; V11-I13 PolarHBondContact O-N 3.48Å; V11-L14 PolarHBondContact O-N 3.28Å; V11-V15 HydrophobicContact CG1-CG2 4.11Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.38Å; V11-V15 PolarHBondContact O-N 2.92Å |
| 12 | L | 67 | Low | 62.7 | Low | 89 Ų | 89 | 88.2 Ų | 88.2 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.2 | -39.2 | 175.4 | -82.7 | 165.8 | 0 | 0 | 0 | 111.5 | T8 F9 N16 | T8-L12 HydrophobicContact CG2-CD1 4.02Å; T8-L12 HydrophobicContact CG2-CG 4.5Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 VanDerWaalsContact O-CG 3.3Å; T8-L12 WeakPolarHBondContact O-CG 3.24Å; T8-L12 PolarHBondContact O-N 2.94Å; F9-L12 PolarHBondContact O-N 2.89Å; L12-N16 WeakPolarHBondContact CD2-ND2 3.33Å; L12-N16 WeakPolarHBondContact O-CA 3.33Å; L12-N16 WeakPolarHBondContact O-CB 3.23Å; L12-N16 PolarHBondContact O-N 3.48Å; L12-N16 PolarHBondContact O-ND2 2.79Å |
| 13 | I | 67.8 | Low | 62.9 | Low | 41 Ų | 41 | 86.5 Ų | 86.5 | 21% | 0.21 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.7 | -48.6 | 176.3 | -70.3 | 159.9 | 0 | 0 | 0 | 110.6 | F9 T10 V11 V15 N16 F17 F38 | F9-I13 HydrophobicContact CD1-CD1 3.6Å; F9-I13 HydrophobicContact CD2-CD1 4.48Å; F9-I13 HydrophobicContact CE1-CD1 3.48Å; F9-I13 VanDerWaalsContact CE1-CD1 3.48Å; F9-I13 HydrophobicContact CE2-CD1 4.35Å; F9-I13 HydrophobicContact CG-CD1 4.13Å; F9-I13 HydrophobicContact CZ-CD1 3.86Å; F9-I13 WeakPolarHBondContact O-CD1 3.23Å; F9-I13 VanDerWaalsContact O-CG1 3.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.49Å; F9-I13 PolarHBondContact O-N 2.97Å; T10-I13 PolarHBondContact O-N 3.39Å; V11-I13 PolarHBondContact O-N 3.48Å; I13-V15 VanDerWaalsContact C-N 3.25Å; I13-V15 PolarHBondContact O-N 2.86Å; I13-N16 PolarHBondContact O-N 2.97Å; I13-F17 HydrophobicContact CG2-CD2 3.69Å; I13-F17 HydrophobicContact CG2-CE2 3.75Å; I13-F17 VanDerWaalsContact O-CB 3.3Å; I13-F17 WeakPolarHBondContact O-CB 3.36Å; I13-F17 WeakPolarHBondContact O-CD2 3.26Å; I13-F17 PolarHBondContact O-N 3.45Å; I13-F38 HydrophobicContact CD1-CD2 4.38Å; I13-F38 HydrophobicContact CD1-CE2 3.18Å; I13-F38 HydrophobicContact CD1-CZ 3.3Å; I13-F38 HydrophobicContact CG1-CE2 4.46Å |
| 14 | L | 65.7 | Low | 63.2 | Low | 95 Ų | 95 | 86.3 Ų | 86.3 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -35 | 179.8 | -71.1 | 171 | 0 | 0 | 0 | 112.6 | T10 V11 V20 | T10-L14 HydrophobicContact CG2-CD1 4.11Å; T10-L14 WeakPolarHBondContact O-CG 3.27Å; T10-L14 PolarHBondContact O-N 3.07Å; V11-L14 PolarHBondContact O-N 3.28Å; L14-V20 HydrophobicContact CD2-CG2 4.35Å |
| 15 | V | 59.8 | Low | 63.5 | Low | 108 Ų | 108 | 90.4 Ų | 90.4 | 66% | 0.655 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -83.1 | -39.9 | -179.7 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | V11 I13 | V11-V15 HydrophobicContact CG1-CG2 4.11Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.38Å; V11-V15 PolarHBondContact O-N 2.92Å; I13-V15 VanDerWaalsContact C-N 3.25Å; I13-V15 PolarHBondContact O-N 2.86Å |
| 16 | N | 59.2 | Low | 63.6 | Low | 110 Ų | 110 | 87.6 Ų | 87.6 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -86.3 | -6.9 | -179.4 | -67.7 | -66.1 | 0 | 0 | 0 | 113.8 | L12 I13 P18 | L12-N16 WeakPolarHBondContact CD2-ND2 3.33Å; L12-N16 WeakPolarHBondContact O-CA 3.33Å; L12-N16 WeakPolarHBondContact O-CB 3.23Å; L12-N16 PolarHBondContact O-N 3.48Å; L12-N16 PolarHBondContact O-ND2 2.79Å; I13-N16 PolarHBondContact O-N 2.97Å; N16-P18 WeakPolarHBondContact O-CD 3.35Å |
| 17 | F | 56.3 | Low | 64 | Low | 93 Ų | 93 | 87 Ų | 87 | 41% | 0.408 | 47% | 0.473 | S | S | . | . | trans | -82 | 99.4 | 161.6 | -89.3 | -107.9 | 0 | 0 | 0 | 107.6 | I13 N19 V20 | I13-F17 HydrophobicContact CG2-CD2 3.69Å; I13-F17 HydrophobicContact CG2-CE2 3.75Å; I13-F17 VanDerWaalsContact O-CB 3.3Å; I13-F17 WeakPolarHBondContact O-CB 3.36Å; I13-F17 WeakPolarHBondContact O-CD2 3.26Å; I13-F17 PolarHBondContact O-N 3.45Å; F17-N19 PolarHBondContact O-N 2.85Å; F17-V20 HydrophobicContact CB-CG2 4.2Å | ||
| 18 | P | 55.9 | Low | 64.5 | Low | 127 Ų | 127 | 89.5 Ų | 89.5 | 83% | 0.825 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 1.5 | 173 | 26.9 | -36.4 | 0 | 0 | 0 | 113 | N16 | N16-P18 WeakPolarHBondContact O-CD 3.35Š|
| 19 | N | 53.7 | Low | 65.2 | Low | 82 Ų | 82 | 88.4 Ų | 88.4 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | 55.9 | -170.4 | -118.2 | -25 | 0 | 0 | 0 | 111.4 | F17 N21 C22 | F17-N19 PolarHBondContact O-N 2.85Å; N19-N21 PolarHBondContact O-N 3.43Å; N19-N21 VanDerWaalsContact O-N 3.13Å; N19-C22 HydrophobicContact CB-CB 3.98Å; N19-C22 VanDerWaalsContact CB-SG 3.52Å; N19-C22 PolarHBondContact ND2-SG 2.84Å; N19-C22 WeakPolarHBondContact O-CA 3.12Å; N19-C22 VanDerWaalsContact O-CB 3.28Å; N19-C22 WeakPolarHBondContact O-CB 3.25Å; N19-C22 PolarHBondContact O-N 3.15Å |
| 20 | V | 56.7 | Low | 65.5 | Low | 59 Ų | 59 | 89.5 Ų | 89.5 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.3 | -27.1 | 163.1 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L14 F17 C22 L23 | L14-V20 HydrophobicContact CD2-CG2 4.35Å; F17-V20 HydrophobicContact CB-CG2 4.2Å; V20-C22 VanDerWaalsContact C-N 3.28Å; V20-C22 PolarHBondContact O-N 3.32Å; V20-L23 HydrophobicContact CG1-CD1 4.46Å; V20-L23 WeakPolarHBondContact O-CB 3.39Å; V20-L23 PolarHBondContact O-N 2.97Å |
| 21 | N | 58.2 | Low | 65.7 | Low | 111 Ų | 111 | 90.4 Ų | 90.4 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.8 | -27.2 | 168.1 | -76.9 | -19.4 | 0 | 0 | 0 | 114.7 | N19 L23 L24 | N19-N21 PolarHBondContact O-N 3.43Å; N19-N21 VanDerWaalsContact O-N 3.13Å; N21-L23 VanDerWaalsContact C-N 3.32Å; N21-L24 WeakPolarHBondContact O-CB 3.49Å; N21-L24 PolarHBondContact O-N 3.49Å |
| 22 | C | 59 | Low | 66.4 | Low | 55 Ų | 55 | 92.8 Ų | 92.8 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -33.2 | 171.8 | -74.1 | 0 | 0 | 0 | 0 | 111.7 | N19 V20 L24 K25 L26 | N19-C22 HydrophobicContact CB-CB 3.98Å; N19-C22 VanDerWaalsContact CB-SG 3.52Å; N19-C22 PolarHBondContact ND2-SG 2.84Å; N19-C22 WeakPolarHBondContact O-CA 3.12Å; N19-C22 VanDerWaalsContact O-CB 3.28Å; N19-C22 WeakPolarHBondContact O-CB 3.25Å; N19-C22 PolarHBondContact O-N 3.15Å; V20-C22 VanDerWaalsContact C-N 3.28Å; V20-C22 PolarHBondContact O-N 3.32Å; C22-L24 PolarHBondContact O-N 3.12Å; C22-K25 WeakPolarHBondContact O-CB 3.45Å; C22-K25 PolarHBondContact O-N 3.31Å; C22-L26 PolarHBondContact O-N 2.85Å |
| 23 | L | 59.1 | Low | 67 | Low | 56 Ų | 56 | 97.3 Ų | 97.3 | 29% | 0.293 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -29.7 | 175.9 | -60.2 | 178.9 | 0 | 0 | 0 | 112 | V20 N21 K25 L26 K31 L34 | V20-L23 HydrophobicContact CG1-CD1 4.46Å; V20-L23 WeakPolarHBondContact O-CB 3.39Å; V20-L23 PolarHBondContact O-N 2.97Å; N21-L23 VanDerWaalsContact C-N 3.32Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.38Å; L23-L26 HydrophobicContact CD2-CD1 3.74Å; L23-K31 WeakPolarHBondContact O-CE 3.49Å; L23-L34 HydrophobicContact CD2-CD2 3.38Å |
| 24 | L | 63.6 | Low | 67.5 | Low | 133 Ų | 133 | 98.8 Ų | 98.8 | 70% | 0.696 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.5 | -25.4 | 173.5 | -65.9 | 172.8 | 0 | 0 | 0 | 112.8 | N21 C22 | N21-L24 WeakPolarHBondContact O-CB 3.49Å; N21-L24 PolarHBondContact O-N 3.49Å; C22-L24 PolarHBondContact O-N 3.12Å |
| 25 | K | 70.4 | Confident | 68.1 | Low | 180 Ų | 180 | 101 Ų | 101 | 78% | 0.783 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -88 | -14 | 179.9 | -67.1 | -176.2 | 178.3 | -178 | 0 | 113.8 | C22 L23 | C22-K25 WeakPolarHBondContact O-CB 3.45Å; C22-K25 PolarHBondContact O-N 3.31Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.38Å |
| 26 | L | 70.2 | Confident | 69 | Low | 45 Ų | 45 | 100.4 Ų | 100.4 | 24% | 0.236 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -67.1 | 140.3 | 175.3 | -65.9 | 175.6 | 0 | 0 | 0 | 109.5 | C22 L23 E30 K31 L34 | C22-L26 PolarHBondContact O-N 2.85Å; L23-L26 HydrophobicContact CD2-CD1 3.74Å; L26-E30 WeakPolarHBondContact CA-OE2 3.28Å; L26-E30 HydrophobicContact CB-CB 3.96Å; L26-E30 HydrophobicContact CD2-CB 4.01Å; L26-E30 HydrophobicContact CD2-CG 4.49Å; L26-E30 VanDerWaalsContact CD2-OE2 3.25Å; L26-E30 WeakPolarHBondContact CD2-OE2 3.47Å; L26-E30 HydrophobicContact CG-CB 4.4Å; L26-K31 HydrophobicContact CB-CG 3.87Å; L26-K31 WeakPolarHBondContact O-CE 3.35Å; L26-K31 PolarHBondContact O-NZ 3.29Å; L26-K31 VanDerWaalsContact O-NZ 3.12Å; L26-L34 HydrophobicContact CD1-CD2 4.13Å |
| 27 | D | 79.5 | Confident | 70 | Confident | 89 Ų | 89 | 100.2 Ų | 100.2 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | trans | -68.2 | 166.9 | 168.9 | 74 | 27.8 | 0 | 0 | 0 | 110.6 | A29 E30 K31 | D27-A29 PolarHBondContact O-N 2.85Å; D27-A29 WeakPolarHBondContact OD1-CA 3.38Å; D27-A29 WeakPolarHBondContact OD1-CB 3.21Å; D27-A29 PolarHBondContact OD1-N 2.83Å; D27-E30 PolarHBondContact N-OE2 3.35Å; D27-E30 VanDerWaalsContact N-OE2 3.13Å; D27-E30 PolarHBondContact O-N 3.46Å; D27-E30 WeakPolarHBondContact OD1-CB 3.47Å; D27-E30 WeakPolarHBondContact OD1-CG 3.46Å; D27-E30 PolarHBondContact OD1-N 2.8Å; D27-K31 WeakPolarHBondContact O-CG 3.49Å; D27-K31 PolarHBondContact O-N 3.34Å | ||
| 28 | D | 79.4 | Confident | 71.1 | Confident | 127 Ų | 127 | 99.4 Ų | 99.4 | 68% | 0.679 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -26.9 | -175.8 | -67.4 | -25.4 | 0 | 0 | 0 | 112.4 | K31 E32 | D28-K31 IonicContact OD1-NZ 3.36Å; D28-K31 PolarHBondContact OD1-NZ 3.42Å; D28-E32 WeakPolarHBondContact O-CB 3.46Å; D28-E32 PolarHBondContact O-N 2.98Å |
| 29 | A | 80.9 | Confident | 72.2 | Confident | 51 Ų | 51 | 96.4 Ų | 96.4 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.3 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D27 E32 R33 | D27-A29 PolarHBondContact O-N 2.85Å; D27-A29 WeakPolarHBondContact OD1-CA 3.38Å; D27-A29 WeakPolarHBondContact OD1-CB 3.21Å; D27-A29 PolarHBondContact OD1-N 2.83Å; A29-E32 PolarHBondContact O-N 3.29Å; A29-R33 WeakPolarHBondContact O-CG 3.5Å; A29-R33 PolarHBondContact O-N 3.22Å |
| 30 | E | 77.6 | Confident | 73.4 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 173.8 | -73.5 | 177.7 | 144.2 | 0 | 0 | 111.1 | L26 D27 R33 L34 | L26-E30 WeakPolarHBondContact CA-OE2 3.28Å; L26-E30 HydrophobicContact CB-CB 3.96Å; L26-E30 HydrophobicContact CD2-CB 4.01Å; L26-E30 HydrophobicContact CD2-CG 4.49Å; L26-E30 VanDerWaalsContact CD2-OE2 3.25Å; L26-E30 WeakPolarHBondContact CD2-OE2 3.47Å; L26-E30 HydrophobicContact CG-CB 4.4Å; D27-E30 PolarHBondContact N-OE2 3.35Å; D27-E30 VanDerWaalsContact N-OE2 3.13Å; D27-E30 PolarHBondContact O-N 3.46Å; D27-E30 WeakPolarHBondContact OD1-CB 3.47Å; D27-E30 WeakPolarHBondContact OD1-CG 3.46Å; D27-E30 PolarHBondContact OD1-N 2.8Å; E30-R33 PolarHBondContact O-N 3.31Å; E30-L34 VanDerWaalsContact O-CB 3.32Å; E30-L34 WeakPolarHBondContact O-CB 3.3Å; E30-L34 PolarHBondContact O-N 3.32Å |
| 31 | K | 74.6 | Confident | 74.5 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 35% | 0.348 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 172.5 | -71.9 | 173 | -169.8 | 146.9 | 0 | 111.8 | L23 L26 D27 D28 L34 K35 | L23-K31 WeakPolarHBondContact O-CE 3.49Å; L26-K31 HydrophobicContact CB-CG 3.87Å; L26-K31 WeakPolarHBondContact O-CE 3.35Å; L26-K31 PolarHBondContact O-NZ 3.29Å; L26-K31 VanDerWaalsContact O-NZ 3.12Å; D27-K31 WeakPolarHBondContact O-CG 3.49Å; D27-K31 PolarHBondContact O-N 3.34Å; D28-K31 IonicContact OD1-NZ 3.36Å; D28-K31 PolarHBondContact OD1-NZ 3.42Å; K31-L34 PolarHBondContact O-N 2.8Å; K31-K35 WeakPolarHBondContact O-CB 3.34Å; K31-K35 PolarHBondContact O-N 3.27Å |
| 32 | E | 80 | Confident | 75.4 | Confident | 127 Ų | 127 | 94.6 Ų | 94.6 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 177.5 | -170.6 | 171.1 | -158.4 | 0 | 0 | 111 | D28 A29 L34 K35 D36 | D28-E32 WeakPolarHBondContact O-CB 3.46Å; D28-E32 PolarHBondContact O-N 2.98Å; A29-E32 PolarHBondContact O-N 3.29Å; E32-L34 PolarHBondContact O-N 2.93Å; E32-K35 WeakPolarHBondContact O-CB 3.43Å; E32-K35 PolarHBondContact O-N 3.44Å; E32-D36 PolarHBondContact O-N 2.89Å |
| 33 | R | 79.2 | Confident | 76.3 | Confident | 183 Ų | 183 | 95.8 Ų | 95.8 | 69% | 0.691 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.1 | -46.6 | 173.5 | -73.7 | 177.1 | -175.9 | -157.4 | 2.7 | 112.4 | A29 E30 K35 D36 D37 | A29-R33 WeakPolarHBondContact O-CG 3.5Å; A29-R33 PolarHBondContact O-N 3.22Å; E30-R33 PolarHBondContact O-N 3.31Å; R33-K35 VanDerWaalsContact C-N 3.29Å; R33-K35 PolarHBondContact O-N 2.82Å; R33-D36 PolarHBondContact O-N 3.29Å; R33-D37 WeakPolarHBondContact O-CB 3.19Å; R33-D37 PolarHBondContact O-N 2.92Å |
| 34 | L | 79 | Confident | 77.2 | Confident | 73 Ų | 73 | 97.8 Ų | 97.8 | 38% | 0.382 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 179.6 | -172.1 | 71 | 0 | 0 | 0 | 111.3 | L23 L26 E30 K31 E32 F38 | L23-L34 HydrophobicContact CD2-CD2 3.38Å; L26-L34 HydrophobicContact CD1-CD2 4.13Å; E30-L34 VanDerWaalsContact O-CB 3.32Å; E30-L34 WeakPolarHBondContact O-CB 3.3Å; E30-L34 PolarHBondContact O-N 3.32Å; K31-L34 PolarHBondContact O-N 2.8Å; E32-L34 PolarHBondContact O-N 2.93Å; L34-F38 WeakPolarHBondContact O-CB 2.89Å; L34-F38 PolarHBondContact O-N 2.91Å |
| 35 | K | 77.8 | Confident | 77.8 | Confident | 140 Ų | 140 | 95.7 Ų | 95.7 | 61% | 0.609 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 175.2 | -178.7 | -171.8 | 171.4 | -166.4 | 0 | 111.1 | K31 E32 R33 F38 V39 | K31-K35 WeakPolarHBondContact O-CB 3.34Å; K31-K35 PolarHBondContact O-N 3.27Å; E32-K35 WeakPolarHBondContact O-CB 3.43Å; E32-K35 PolarHBondContact O-N 3.44Å; R33-K35 VanDerWaalsContact C-N 3.29Å; R33-K35 PolarHBondContact O-N 2.82Å; K35-F38 WeakPolarHBondContact O-CB 3.47Å; K35-F38 PolarHBondContact O-N 3.45Å; K35-V39 WeakPolarHBondContact O-CB 3.43Å; K35-V39 VanDerWaalsContact O-CG2 3.28Å; K35-V39 WeakPolarHBondContact O-CG2 3.1Å; K35-V39 PolarHBondContact O-N 3.05Å |
| 36 | D | 79.6 | Confident | 77.9 | Confident | 96 Ų | 96 | 90.3 Ų | 90.3 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 178.8 | -75.1 | -12.8 | 0 | 0 | 0 | 111.8 | E32 R33 F38 V39 K40 | E32-D36 PolarHBondContact O-N 2.89Å; R33-D36 PolarHBondContact O-N 3.29Å; D36-F38 VanDerWaalsContact C-N 3.25Å; D36-F38 PolarHBondContact O-N 2.8Å; D36-V39 PolarHBondContact O-N 3.32Å; D36-K40 VanDerWaalsContact O-CB 3.31Å; D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 PolarHBondContact O-N 3.15Å |
| 37 | D | 79.8 | Confident | 78.2 | Confident | 107 Ų | 107 | 95.7 Ų | 95.7 | 57% | 0.572 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.2 | -40.5 | 174.3 | -75.3 | -21.5 | 0 | 0 | 0 | 111.1 | R33 K40 A41 | R33-D37 WeakPolarHBondContact O-CB 3.19Å; R33-D37 PolarHBondContact O-N 2.92Å; D37-K40 PolarHBondContact O-N 2.91Å; D37-A41 WeakPolarHBondContact O-CB 3.49Å; D37-A41 PolarHBondContact O-N 3.2Å |
| 38 | F | 78.5 | Confident | 78.1 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 33% | 0.329 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 178.4 | -173.8 | -112.5 | 0 | 0 | 0 | 112.8 | F9 I13 L34 K35 D36 K40 A41 I42 | F9-F38 HydrophobicContact CD1-CE2 4.18Å; F9-F38 AromaticContact CD1-CZ 3.85Å; F9-F38 HydrophobicContact CD1-CZ 3.85Å; F9-F38 AromaticContact CE1-CE2 3.36Å; F9-F38 HydrophobicContact CE1-CE2 3.36Å; F9-F38 AromaticContact CE1-CZ 3.47Å; F9-F38 HydrophobicContact CE1-CZ 3.47Å; F9-F38 VanDerWaalsContact CE1-CZ 3.47Å; F9-F38 HydrophobicContact CZ-CE2 4.06Å; I13-F38 HydrophobicContact CD1-CD2 4.38Å; I13-F38 HydrophobicContact CD1-CE2 3.18Å; I13-F38 HydrophobicContact CD1-CZ 3.3Å; I13-F38 HydrophobicContact CG1-CE2 4.46Å; L34-F38 WeakPolarHBondContact O-CB 2.89Å; L34-F38 PolarHBondContact O-N 2.91Å; K35-F38 WeakPolarHBondContact O-CB 3.47Å; K35-F38 PolarHBondContact O-N 3.45Å; D36-F38 VanDerWaalsContact C-N 3.25Å; D36-F38 PolarHBondContact O-N 2.8Å; F38-K40 VanDerWaalsContact C-N 3.27Å; F38-K40 PolarHBondContact O-N 3.39Å; F38-A41 PolarHBondContact O-N 3.45Å; F38-I42 HydrophobicContact CD1-CD1 3.71Å; F38-I42 HydrophobicContact CE1-CD1 3.2Å; F38-I42 HydrophobicContact CE1-CG1 4.26Å; F38-I42 HydrophobicContact CE2-CD1 4.17Å; F38-I42 HydrophobicContact CE2-CG1 4.45Å; F38-I42 HydrophobicContact CG-CD1 4.4Å; F38-I42 HydrophobicContact CZ-CD1 3.47Å; F38-I42 VanDerWaalsContact CZ-CD1 3.47Å; F38-I42 HydrophobicContact CZ-CG1 4.17Å; F38-I42 WeakPolarHBondContact O-CG1 3.46Å; F38-I42 PolarHBondContact O-N 3.45Å |
| 39 | V | 78.7 | Confident | 77.5 | Confident | 65 Ų | 65 | 95 Ų | 95 | 39% | 0.394 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | K35 D36 I42 N43 | K35-V39 WeakPolarHBondContact O-CB 3.43Å; K35-V39 VanDerWaalsContact O-CG2 3.28Å; K35-V39 WeakPolarHBondContact O-CG2 3.1Å; K35-V39 PolarHBondContact O-N 3.05Å; D36-V39 PolarHBondContact O-N 3.32Å; V39-I42 PolarHBondContact O-N 3.31Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.13Å; V39-N43 WeakPolarHBondContact O-CB 3.35Å; V39-N43 VanDerWaalsContact O-CG 3.24Å; V39-N43 PolarHBondContact O-N 3.23Å; V39-N43 PolarHBondContact O-ND2 2.61Å; V39-N43 VanDerWaalsContact O-ND2 3.15Å |
| 40 | K | 80.9 | Confident | 76.6 | Confident | 125 Ų | 125 | 96.4 Ų | 96.4 | 54% | 0.543 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 175.8 | -175.1 | -178.3 | 174.8 | -171.6 | 0 | 111.5 | D36 D37 F38 I42 N43 E44 | D36-K40 VanDerWaalsContact O-CB 3.31Å; D36-K40 WeakPolarHBondContact O-CB 3.31Å; D36-K40 PolarHBondContact O-N 3.15Å; D37-K40 PolarHBondContact O-N 2.91Å; F38-K40 VanDerWaalsContact C-N 3.27Å; F38-K40 PolarHBondContact O-N 3.39Å; K40-I42 PolarHBondContact O-N 3.29Å; K40-N43 PolarHBondContact O-N 2.97Å; K40-E44 VanDerWaalsContact CE-OE1 3.23Å; K40-E44 WeakPolarHBondContact CE-OE1 3.44Å; K40-E44 WeakPolarHBondContact O-CG 3.12Å; K40-E44 PolarHBondContact O-N 2.8Å |
| 41 | A | 79.2 | Confident | 75.8 | Confident | 45 Ų | 45 | 96.8 Ų | 96.8 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D37 F38 N43 E44 E45 | D37-A41 WeakPolarHBondContact O-CB 3.49Å; D37-A41 PolarHBondContact O-N 3.2Å; F38-A41 PolarHBondContact O-N 3.45Å; A41-N43 PolarHBondContact O-N 3.01Å; A41-E44 PolarHBondContact O-N 2.87Å; A41-E45 WeakPolarHBondContact O-CG 3.5Å; A41-E45 PolarHBondContact O-N 3.28Å |
| 42 | I | 76.4 | Confident | 74.9 | Confident | 44 Ų | 44 | 95.3 Ų | 95.3 | 23% | 0.226 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 174.8 | -71.7 | 170.3 | 0 | 0 | 0 | 110.7 | F9 F38 V39 K40 E44 E45 L46 | F9-I42 HydrophobicContact CD1-CG1 4.41Å; F9-I42 HydrophobicContact CE1-CD1 4.29Å; F9-I42 HydrophobicContact CE1-CG1 3.91Å; F38-I42 HydrophobicContact CD1-CD1 3.71Å; F38-I42 HydrophobicContact CE1-CD1 3.2Å; F38-I42 HydrophobicContact CE1-CG1 4.26Å; F38-I42 HydrophobicContact CE2-CD1 4.17Å; F38-I42 HydrophobicContact CE2-CG1 4.45Å; F38-I42 HydrophobicContact CG-CD1 4.4Å; F38-I42 HydrophobicContact CZ-CD1 3.47Å; F38-I42 VanDerWaalsContact CZ-CD1 3.47Å; F38-I42 HydrophobicContact CZ-CG1 4.17Å; F38-I42 WeakPolarHBondContact O-CG1 3.46Å; F38-I42 PolarHBondContact O-N 3.45Å; V39-I42 PolarHBondContact O-N 3.31Å; K40-I42 PolarHBondContact O-N 3.29Å; I42-E44 VanDerWaalsContact C-N 3.29Å; I42-E44 PolarHBondContact O-N 2.91Å; I42-E45 PolarHBondContact O-N 2.95Å; I42-L46 HydrophobicContact CG2-CD1 3.67Å; I42-L46 HydrophobicContact CG2-CG 3.98Å; I42-L46 WeakPolarHBondContact O-CB 3.47Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.39Å; I42-L46 PolarHBondContact O-N 3.41Å |
| 43 | N | 77.7 | Confident | 73.6 | Confident | 79 Ų | 79 | 93.5 Ų | 93.5 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -35.3 | -179.2 | -75.6 | -32.1 | 0 | 0 | 0 | 112.3 | V39 K40 A41 K47 | V39-N43 WeakPolarHBondContact CG1-ND2 3.13Å; V39-N43 WeakPolarHBondContact O-CB 3.35Å; V39-N43 VanDerWaalsContact O-CG 3.24Å; V39-N43 PolarHBondContact O-N 3.23Å; V39-N43 PolarHBondContact O-ND2 2.61Å; V39-N43 VanDerWaalsContact O-ND2 3.15Å; K40-N43 PolarHBondContact O-N 2.97Å; A41-N43 PolarHBondContact O-N 3.01Å; N43-K47 WeakPolarHBondContact O-CB 3.28Å; N43-K47 WeakPolarHBondContact O-CG 3.36Å; N43-K47 PolarHBondContact O-N 2.88Å |
| 44 | E | 79.4 | Confident | 72.1 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 173.6 | -74.1 | 178.2 | -173 | 0 | 0 | 111.7 | K40 A41 I42 K47 K48 | K40-E44 VanDerWaalsContact CE-OE1 3.23Å; K40-E44 WeakPolarHBondContact CE-OE1 3.44Å; K40-E44 WeakPolarHBondContact O-CG 3.12Å; K40-E44 PolarHBondContact O-N 2.8Å; A41-E44 PolarHBondContact O-N 2.87Å; I42-E44 VanDerWaalsContact C-N 3.29Å; I42-E44 PolarHBondContact O-N 2.91Å; E44-K47 WeakPolarHBondContact O-CB 3.41Å; E44-K47 PolarHBondContact O-N 2.89Å; E44-K48 WeakPolarHBondContact O-CG 3.42Å; E44-K48 PolarHBondContact O-N 2.89Å |
| 45 | E | 75.6 | Confident | 70.4 | Confident | 89 Ų | 89 | 91.2 Ų | 91.2 | 42% | 0.416 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 174.8 | -67.6 | -56 | 150.4 | 0 | 0 | 112.3 | A41 I42 K47 K48 L49 | A41-E45 WeakPolarHBondContact O-CG 3.5Å; A41-E45 PolarHBondContact O-N 3.28Å; I42-E45 PolarHBondContact O-N 2.95Å; E45-K47 PolarHBondContact O-N 3.37Å; E45-K48 WeakPolarHBondContact O-CB 3.33Å; E45-K48 PolarHBondContact O-N 3.21Å; E45-K48 IonicContact OE1-NZ 2.61Å; E45-K48 PolarHBondContact OE1-NZ 3.2Å; E45-K48 WeakPolarHBondContact OE2-CD 3.32Å; E45-K48 WeakPolarHBondContact OE2-CE 3.49Å; E45-K48 IonicContact OE2-NZ 3.01Å; E45-K48 PolarHBondContact OE2-NZ 2.94Å; E45-L49 PolarHBondContact O-N 3.4Å |
| 46 | L | 72.7 | Confident | 68.7 | Low | 67 Ų | 67 | 91.6 Ų | 91.6 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -31 | 175.4 | -72.7 | 177.6 | 0 | 0 | 0 | 112.3 | I42 K48 L49 | I42-L46 HydrophobicContact CG2-CD1 3.67Å; I42-L46 HydrophobicContact CG2-CG 3.98Å; I42-L46 WeakPolarHBondContact O-CB 3.47Å; I42-L46 VanDerWaalsContact O-CG 3.27Å; I42-L46 WeakPolarHBondContact O-CG 3.39Å; I42-L46 PolarHBondContact O-N 3.41Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-L49 HydrophobicContact CD2-CD1 3.75Å; L46-L49 WeakPolarHBondContact O-CB 3.23Å; L46-L49 PolarHBondContact O-N 3.35Å |
| 47 | K | 75.1 | Confident | 67 | Low | 157 Ų | 157 | 92 Ų | 92 | 68% | 0.683 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70 | -27 | 172.4 | -76.8 | 170 | -176.6 | 179.5 | 0 | 113 | N43 E44 E45 L49 | N43-K47 WeakPolarHBondContact O-CB 3.28Å; N43-K47 WeakPolarHBondContact O-CG 3.36Å; N43-K47 PolarHBondContact O-N 2.88Å; E44-K47 WeakPolarHBondContact O-CB 3.41Å; E44-K47 PolarHBondContact O-N 2.89Å; E45-K47 PolarHBondContact O-N 3.37Å; K47-L49 VanDerWaalsContact C-N 3.28Å |
| 48 | K | 78.4 | Confident | 65.1 | Low | 142 Ų | 142 | 91.7 Ų | 91.7 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.8 | -23.9 | 174.2 | -61.3 | 179.4 | -159.5 | 166.5 | 0 | 112 | E44 E45 L46 S50 | E44-K48 WeakPolarHBondContact O-CG 3.42Å; E44-K48 PolarHBondContact O-N 2.89Å; E45-K48 WeakPolarHBondContact O-CB 3.33Å; E45-K48 PolarHBondContact O-N 3.21Å; E45-K48 IonicContact OE1-NZ 2.61Å; E45-K48 PolarHBondContact OE1-NZ 3.2Å; E45-K48 WeakPolarHBondContact OE2-CD 3.32Å; E45-K48 WeakPolarHBondContact OE2-CE 3.49Å; E45-K48 IonicContact OE2-NZ 3.01Å; E45-K48 PolarHBondContact OE2-NZ 2.94Å; L46-K48 VanDerWaalsContact C-N 3.31Å; K48-S50 PolarHBondContact O-N 3.35Å |
| 49 | L | 66.5 | Low | 63.3 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 31% | 0.314 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -63.7 | 126.5 | 170 | -58.8 | 178.1 | 0 | 0 | 0 | 108.4 | E45 L46 K47 | E45-L49 PolarHBondContact O-N 3.4Å; L46-L49 HydrophobicContact CD2-CD1 3.75Å; L46-L49 WeakPolarHBondContact O-CB 3.23Å; L46-L49 PolarHBondContact O-N 3.35Å; K47-L49 VanDerWaalsContact C-N 3.28Å |
| 50 | S | 62.6 | Low | 61.3 | Low | 80 Ų | 80 | 103 Ų | 103 | 56% | 0.559 | 55% | 0.549 | S | S | * | . | trans | -51.7 | 142.6 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | K48 G52 D53 | K48-S50 PolarHBondContact O-N 3.35Å; S50-G52 PolarHBondContact O-N 3.42Å; S50-D53 PolarHBondContact O-N 3.48Å | ||
| 51 | P | 60.7 | Low | 59.3 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 64% | 0.643 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -55.9 | -13.7 | 179.6 | 19.8 | -32 | 0 | 0 | 0 | 114.4 | D53 Q54 S55 | P51-D53 PolarHBondContact O-N 3.47Å; P51-Q54 PolarHBondContact O-N 3.44Å; P51-Q54 VanDerWaalsContact O-N 3.07Å; P51-S55 PolarHBondContact O-N 2.9Å |
| 52 | G | 56.2 | Low | 57.5 | Low | 50 Ų | 50 | 113.4 Ų | 113.4 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -55.7 | -31.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S50 S55 | S50-G52 PolarHBondContact O-N 3.42Å; G52-S55 PolarHBondContact O-OG 2.93Å |
| 53 | D | 52.4 | Low | 56.2 | Low | 89 Ų | 89 | 119.9 Ų | 119.9 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -87.6 | -11.5 | 177.4 | -73.1 | -27.3 | 0 | 0 | 0 | 113.3 | S50 P51 | S50-D53 PolarHBondContact O-N 3.48Å; P51-D53 PolarHBondContact O-N 3.47Å |
| 54 | Q | 46.2 | Very low | 54.5 | Low | 118 Ų | 118 | 125.5 Ų | 125.5 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -90.2 | -1.8 | 174.9 | -65.3 | -175.5 | 24 | 0 | 0 | 112.7 | P51 I56 | P51-Q54 PolarHBondContact O-N 3.44Å; P51-Q54 VanDerWaalsContact O-N 3.07Å; Q54-I56 PolarHBondContact O-N 3.37Å |
| 55 | S | 44.3 | Very low | 52.7 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | trans | -71.8 | 81.2 | 170.2 | 67.4 | 0 | 0 | 0 | 0 | 109 | P51 G52 S57 | P51-S55 PolarHBondContact O-N 2.9Å; G52-S55 PolarHBondContact O-OG 2.93Å; S55-S57 VanDerWaalsContact C-N 3.3Å; S55-S57 PolarHBondContact O-N 3.3Å | ||
| 56 | I | 42.8 | Very low | 51.4 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 76% | 0.764 | 65% | 0.645 | S | S | * | * | trans | -47.6 | 108.8 | 151.2 | -63.8 | 166.9 | 0 | 0 | 0 | 103.7 | Q54 S58 | Q54-I56 PolarHBondContact O-N 3.37Å; I56-S58 PolarHBondContact O-N 3.34Å | ||
| 57 | S | 42.3 | Very low | 50.2 | Low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | trans | -68 | 73.3 | 173.4 | 61.2 | 0 | 0 | 0 | 0 | 107.8 | S55 E59 | S55-S57 VanDerWaalsContact C-N 3.3Å; S55-S57 PolarHBondContact O-N 3.3Å; S57-E59 PolarHBondContact O-N 3.07Å | ||
| 58 | S | 41.3 | Very low | 49 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | trans | -69 | 46.8 | 149.9 | 60.8 | 0 | 0 | 0 | 0 | 108.5 | I56 R60 | I56-S58 PolarHBondContact O-N 3.34Å; S58-R60 PolarHBondContact O-N 2.78Å | ||
| 59 | E | 39.2 | Very low | 47.8 | Very low | 151 Ų | 151 | 122 Ų | 122 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -82.3 | 58.9 | 162.8 | -147.8 | 163.6 | -171.1 | 0 | 0 | 107.9 | S57 R61 | S57-E59 PolarHBondContact O-N 3.07Å; E59-R61 PolarHBondContact O-N 3.13Å; E59-R61 VanDerWaalsContact O-N 3.11Å | ||
| 60 | R | 37 | Very low | 47.3 | Very low | 227 Ų | 227 | 124.3 Ų | 124.3 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | -60.6 | 107.2 | 151.2 | -148.3 | -177.3 | -160.7 | -178 | 6 | 104.9 | S58 | S58-R60 PolarHBondContact O-N 2.78Š| ||
| 61 | R | 38.9 | Very low | 46.9 | Very low | 200 Ų | 200 | 127.2 Ų | 127.2 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | trans | 75.2 | 93.7 | 164.9 | -58.6 | 173.6 | 170.3 | 174.1 | -3.9 | 116.7 | E59 | E59-R61 PolarHBondContact O-N 3.13Å; E59-R61 VanDerWaalsContact O-N 3.11Å | ||
| 62 | K | 42.2 | Very low | 46.6 | Very low | 189 Ų | 189 | 124.4 Ų | 124.4 | 82% | 0.822 | 66% | 0.656 | S | S | * | * | -119.4 | 95.3 | 116.3 | -81.6 | -173.4 | 178.7 | 174.8 | 0 | 109.7 | H64 | K62-H64 PolarHBondContact O-N 3.36Š| |||
| 63 | K | 48.6 | Very low | 46.6 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 78% | 0.778 | 66% | 0.659 | S | S | * | * | trans | -58.2 | 109.4 | 155.9 | -73 | 178 | 166.9 | -174.1 | 0 | 107.3 | ||||
| 64 | H | 41.5 | Very low | 46.6 | Very low | 197 Ų | 197 | 125.9 Ų | 125.9 | 91% | 0.912 | 66% | 0.661 | S | S | * | * | trans | -179.5 | 126.5 | 142.9 | -117.5 | -110.8 | 0 | 0 | 0 | 108 | K62 | K62-H64 PolarHBondContact O-N 3.36Š| ||
| 65 | G | 42.7 | Very low | 47.1 | Very low | 45 Ų | 45 | 125 Ų | 125 | 46% | 0.464 | 67% | 0.667 | S | S | . | * | S | Bend | trans | 121.6 | -33.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | G67 E68 | G65-G67 VanDerWaalsContact C-N 3.33Å; G65-G67 PolarHBondContact O-N 3.01Å; G65-E68 PolarHBondContact O-N 3.37Å |
| 66 | F | 48.2 | Very low | 47.6 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.5 | -18.1 | -176.4 | -150.2 | -97.1 | 0 | 0 | 0 | 114 | E68 S69 | F66-E68 VanDerWaalsContact C-N 3.3Å; F66-E68 PolarHBondContact O-N 2.71Å; F66-S69 PolarHBondContact O-N 3.31Å |
| 67 | G | 46.4 | Very low | 48.3 | Very low | 51 Ų | 51 | 131.4 Ų | 131.4 | 53% | 0.526 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -69.8 | -24.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G65 S69 L71 | G65-G67 VanDerWaalsContact C-N 3.33Å; G65-G67 PolarHBondContact O-N 3.01Å; G67-S69 VanDerWaalsContact C-N 3.31Å; G67-L71 PolarHBondContact O-N 3.27Å |
| 68 | E | 50.5 | Low | 48.8 | Very low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72 | -28.7 | 175.3 | -68.5 | -179 | 151.1 | 0 | 0 | 111.5 | G65 F66 G72 | G65-E68 PolarHBondContact O-N 3.37Å; F66-E68 VanDerWaalsContact C-N 3.3Å; F66-E68 PolarHBondContact O-N 2.71Å; E68-G72 PolarHBondContact O-N 2.93Å |
| 69 | S | 53.6 | Low | 49 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 43% | 0.434 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -70.7 | -38.2 | 176.1 | -114.3 | 0 | 0 | 0 | 0 | 112.8 | F66 G67 L73 | F66-S69 PolarHBondContact O-N 3.31Å; G67-S69 VanDerWaalsContact C-N 3.31Å; S69-L73 WeakPolarHBondContact O-CB 3.25Å; S69-L73 WeakPolarHBondContact O-CD1 3.44Å; S69-L73 VanDerWaalsContact O-CG 3.27Å; S69-L73 WeakPolarHBondContact O-CG 3.42Å; S69-L73 PolarHBondContact O-N 3.45Å |
| 70 | I | 55.7 | Low | 49.5 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 56% | 0.559 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.9 | -40 | -179.3 | -60.5 | -178.3 | 0 | 0 | 0 | 111.3 | L73 A74 | I70-L73 PolarHBondContact O-N 3Å; I70-A74 WeakPolarHBondContact O-CB 3.33Å; I70-A74 PolarHBondContact O-N 3.43Å |
| 71 | L | 54.3 | Low | 50.1 | Low | 140 Ų | 140 | 131.9 Ų | 131.9 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.9 | -36.5 | 173.9 | -111.7 | 136.6 | 0 | 0 | 0 | 111.8 | G67 A74 S75 | G67-L71 PolarHBondContact O-N 3.27Å; L71-A74 PolarHBondContact O-N 3.12Å; L71-S75 PolarHBondContact O-N 3.13Å |
| 72 | G | 53.9 | Low | 50.7 | Low | 41 Ų | 41 | 128.2 Ų | 128.2 | 42% | 0.423 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -61.9 | -40.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E68 | E68-G72 PolarHBondContact O-N 2.93Å |
| 73 | L | 56 | Low | 51.2 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 56% | 0.56 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.2 | -38.3 | 175.3 | -76 | 164.8 | 0 | 0 | 0 | 112.4 | S69 I70 S75 M76 | S69-L73 WeakPolarHBondContact O-CB 3.25Å; S69-L73 WeakPolarHBondContact O-CD1 3.44Å; S69-L73 VanDerWaalsContact O-CG 3.27Å; S69-L73 WeakPolarHBondContact O-CG 3.42Å; S69-L73 PolarHBondContact O-N 3.45Å; I70-L73 PolarHBondContact O-N 3Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 3.01Å; L73-M76 PolarHBondContact O-N 2.88Å |
| 74 | A | 53.3 | Low | 51.4 | Low | 63 Ų | 63 | 121.2 Ų | 121.2 | 52% | 0.521 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68 | -30.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | I70 L71 M76 Y77 G78 | I70-A74 WeakPolarHBondContact O-CB 3.33Å; I70-A74 PolarHBondContact O-N 3.43Å; L71-A74 PolarHBondContact O-N 3.12Å; A74-M76 VanDerWaalsContact C-N 3.28Å; A74-M76 PolarHBondContact O-N 3.25Å; A74-Y77 PolarHBondContact O-N 2.98Å; A74-G78 PolarHBondContact O-N 3.29Å |
| 75 | S | 56.4 | Low | 52.1 | Low | 98 Ų | 98 | 116.1 Ų | 116.1 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.6 | -27.8 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 113.2 | L71 L73 | L71-S75 PolarHBondContact O-N 3.13Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 3.01Å |
| 76 | M | 55.6 | Low | 52.7 | Low | 158 Ų | 158 | 121.2 Ų | 121.2 | 78% | 0.778 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -81.2 | -21.6 | -179.2 | -82.6 | -164.2 | 164.9 | 0 | 0 | 113.6 | L73 A74 | L73-M76 PolarHBondContact O-N 2.88Å; A74-M76 VanDerWaalsContact C-N 3.28Å; A74-M76 PolarHBondContact O-N 3.25Å |
| 77 | Y | 56.7 | Low | 53.1 | Low | 215 Ų | 215 | 117.9 Ų | 117.9 | 84% | 0.843 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -107.2 | 9.5 | 179.4 | -74 | -85 | 0 | 0 | 0 | 113.3 | A74 | A74-Y77 PolarHBondContact O-N 2.98Š|
| 78 | G | 52.5 | Low | 53.6 | Low | 53 Ų | 53 | 123.5 Ų | 123.5 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | trans | -110.4 | 27.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A74 | A74-G78 PolarHBondContact O-N 3.29Š| ||
| 79 | K | 45.2 | Very low | 53.9 | Low | 277 Ų | 277 | 120.3 Ų | 120.3 | 100% | 1.204 | 66% | 0.662 | S | S | * | * | trans | 167.8 | 0 | 153.5 | -101.3 | 170.8 | 179.7 | 175.9 | 0 | 111.8 |
Retrieved 79 of 79 residues in 108.8 ms
(Link to these results)