| 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 | 51.2 | Low | 77.5 | Confident | 195 Ų | 195 | 62.9 Ų | 62.9 | 96% | 0.961 | 34% | 0.338 | S | S | * | . | 0 | -53.5 | 0 | -79.5 | 177.6 | 169.7 | 0 | 0 | 110.8 | T3 S4 A5 | M1-T3 PolarHBondContact O-N 2.99Å; M1-S4 WeakPolarHBondContact O-CA 3.49Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 3.17Å; M1-A5 PolarHBondContact O-N 2.99Å | |||
| 2 | G | 57.8 | Low | 78.8 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -29.4 | -63.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | S4 A5 L6 D53 | G2-S4 VanDerWaalsContact C-N 3.29Å; G2-S4 PolarHBondContact O-N 2.8Å; G2-A5 CarbonylContact O-C 3.33Å; G2-A5 WeakPolarHBondContact O-CA 3.44Å; G2-A5 VanDerWaalsContact O-CB 3.32Å; G2-A5 WeakPolarHBondContact O-CB 3.32Å; G2-A5 PolarHBondContact O-N 3.44Å; G2-L6 PolarHBondContact O-N 3.44Å; G2-D53 WeakPolarHBondContact CA-OD1 3.39Å; G2-D53 VanDerWaalsContact CA-OD2 3.32Å; G2-D53 WeakPolarHBondContact CA-OD2 3.29Å |
| 3 | T | 60.2 | Low | 79.9 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54.8 | -37.9 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | M1 Y7 D53 | M1-T3 PolarHBondContact O-N 2.99Å; T3-Y7 WeakPolarHBondContact O-CD2 3.35Å; T3-D53 PolarHBondContact N-OD2 3.32Å |
| 4 | S | 74.1 | Confident | 80.7 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 51% | 0.51 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.2 | -38 | 173.9 | -162.5 | 0 | 0 | 0 | 0 | 111.6 | M1 G2 L6 Y7 I8 | M1-S4 WeakPolarHBondContact O-CA 3.49Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 3.17Å; G2-S4 VanDerWaalsContact C-N 3.29Å; G2-S4 PolarHBondContact O-N 2.8Å; S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 2.91Å; S4-Y7 PolarHBondContact O-N 3.05Å; S4-I8 WeakPolarHBondContact O-CG1 3.46Å; S4-I8 PolarHBondContact O-N 2.68Å; S4-I8 VanDerWaalsContact O-N 3.15Å |
| 5 | A | 81.3 | Confident | 81.4 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 G2 Y7 I8 V9 L54 M95 | M1-A5 PolarHBondContact O-N 2.99Å; G2-A5 CarbonylContact O-C 3.33Å; G2-A5 WeakPolarHBondContact O-CA 3.44Å; G2-A5 VanDerWaalsContact O-CB 3.32Å; G2-A5 WeakPolarHBondContact O-CB 3.32Å; G2-A5 PolarHBondContact O-N 3.44Å; A5-Y7 PolarHBondContact O-N 3.46Å; A5-I8 WeakPolarHBondContact O-CB 3.35Å; A5-I8 PolarHBondContact O-N 2.83Å; A5-I8 VanDerWaalsContact O-N 3.14Å; A5-V9 PolarHBondContact O-N 3.44Å; A5-L54 HydrophobicContact CB-CB 4.4Å; A5-L54 HydrophobicContact CB-CD2 3.69Å; A5-M95 HydrophobicContact CB-CE 4.08Å; A5-M95 HydrophobicContact CB-CG 3.92Å; A5-M95 HydrophobicContact CB-SD 4.09Å |
| 6 | L | 85.4 | Confident | 82 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 174.7 | -171.5 | 71.6 | 0 | 0 | 0 | 111.7 | G2 S4 I8 V9 H10 L48 L54 | G2-L6 PolarHBondContact O-N 3.44Å; S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 2.91Å; L6-I8 VanDerWaalsContact C-N 3.31Å; L6-I8 PolarHBondContact O-N 3.26Å; L6-V9 PolarHBondContact O-N 2.92Å; L6-H10 PolarHBondContact O-CD2 3.26Å; L6-H10 PolarHBondContact O-N 3.04Å; L6-H10 VanDerWaalsContact O-N 3.1Å; L6-L48 HydrophobicContact CD1-CB 4.37Å; L6-L48 HydrophobicContact CD1-CD2 3.8Å; L6-L54 HydrophobicContact CB-CB 4.41Å; L6-L54 HydrophobicContact CD1-CB 4.49Å; L6-L54 HydrophobicContact CD1-CD1 4.08Å |
| 7 | Y | 86.3 | Confident | 82.3 | Confident | 170 Ų | 170 | 47.6 Ų | 47.6 | 67% | 0.667 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.4 | -32 | 175.5 | -68.7 | -60.7 | 0 | 0 | 0 | 113.2 | T3 S4 A5 H10 S11 | T3-Y7 WeakPolarHBondContact O-CD2 3.35Å; S4-Y7 PolarHBondContact O-N 3.05Å; A5-Y7 PolarHBondContact O-N 3.46Å; Y7-H10 PolarHBondContact O-N 3.01Å; Y7-S11 PolarHBondContact O-N 3.4Å |
| 8 | I | 87.9 | Confident | 82.6 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -44.3 | 175.3 | -67.3 | 163.8 | 0 | 0 | 0 | 110.7 | S4 A5 L6 H10 S11 E12 F90 Y93 M95 | S4-I8 WeakPolarHBondContact O-CG1 3.46Å; S4-I8 PolarHBondContact O-N 2.68Å; S4-I8 VanDerWaalsContact O-N 3.15Å; A5-I8 WeakPolarHBondContact O-CB 3.35Å; A5-I8 PolarHBondContact O-N 2.83Å; A5-I8 VanDerWaalsContact O-N 3.14Å; L6-I8 VanDerWaalsContact C-N 3.31Å; L6-I8 PolarHBondContact O-N 3.26Å; I8-H10 VanDerWaalsContact C-N 3.29Å; I8-H10 PolarHBondContact O-N 3.37Å; I8-S11 PolarHBondContact O-N 3.32Å; I8-S11 VanDerWaalsContact O-N 3.16Å; I8-S11 PolarHBondContact O-OG 2.95Å; I8-E12 HydrophobicContact CG2-CG 4.42Å; I8-E12 WeakPolarHBondContact O-CG 3.32Å; I8-E12 PolarHBondContact O-N 3.03Å; I8-F90 HydrophobicContact CG2-CD1 4.42Å; I8-F90 HydrophobicContact CG2-CE1 4.24Å; I8-Y93 HydrophobicContact CD1-CD2 3.93Å; I8-Y93 HydrophobicContact CD1-CE2 4.13Å; I8-Y93 HydrophobicContact CG2-CD2 4.32Å; I8-Y93 HydrophobicContact CG2-CE2 4.32Å; I8-M95 HydrophobicContact CG2-SD 4.35Å |
| 9 | V | 88.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | A5 L6 S11 L13 L48 L54 F62 F66 F90 M95 | A5-V9 PolarHBondContact O-N 3.44Å; L6-V9 PolarHBondContact O-N 2.92Å; V9-S11 PolarHBondContact O-N 3.21Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 PolarHBondContact O-N 2.99Å; V9-L48 HydrophobicContact CB-CD1 4.24Å; V9-L48 HydrophobicContact CG1-CD1 3.58Å; V9-L48 HydrophobicContact CG1-CD2 4.26Å; V9-L54 HydrophobicContact CG2-CD1 4.03Å; V9-L54 HydrophobicContact CG2-CD2 3.78Å; V9-F62 HydrophobicContact CG1-CB 4.33Å; V9-F62 HydrophobicContact CG1-CD2 4.27Å; V9-F62 HydrophobicContact CG2-CD2 3.86Å; V9-F62 HydrophobicContact CG2-CE2 4.09Å; V9-F62 HydrophobicContact CG2-CG 4.49Å; V9-F66 HydrophobicContact CG1-CE2 4.27Å; V9-F66 HydrophobicContact CG1-CZ 4.48Å; V9-F90 HydrophobicContact CB-CE1 4.43Å; V9-F90 HydrophobicContact CB-CZ 4.4Å; V9-F90 HydrophobicContact CG1-CZ 4.21Å; V9-F90 HydrophobicContact CG2-CE1 3.98Å; V9-F90 HydrophobicContact CG2-CZ 4.16Å; V9-M95 HydrophobicContact CG2-CE 3.51Å |
| 10 | H | 88.8 | Confident | 82.8 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -38.5 | 174.1 | -84.1 | -67.9 | 0 | 0 | 0 | 113.9 | L6 Y7 I8 N14 L48 N49 | L6-H10 PolarHBondContact O-CD2 3.26Å; L6-H10 PolarHBondContact O-N 3.04Å; L6-H10 VanDerWaalsContact O-N 3.1Å; Y7-H10 PolarHBondContact O-N 3.01Å; I8-H10 VanDerWaalsContact C-N 3.29Å; I8-H10 PolarHBondContact O-N 3.37Å; H10-N14 PolarHBondContact O-N 3.4Å; H10-N14 PolarHBondContact O-ND2 3.12Å; H10-L48 VanDerWaalsContact CE1-CB 3.49Å; H10-L48 WeakPolarHBondContact CE1-CB 3.48Å; H10-L48 WeakPolarHBondContact NE2-CB 3.3Å; H10-N49 PolarHBondContact CE1-OD1 3.14Å |
| 11 | S | 90.7 | Very high | 82.9 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 41% | 0.413 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 178.8 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | Y7 I8 V9 N14 A15 | Y7-S11 PolarHBondContact O-N 3.4Å; I8-S11 PolarHBondContact O-N 3.32Å; I8-S11 VanDerWaalsContact O-N 3.16Å; I8-S11 PolarHBondContact O-OG 2.95Å; V9-S11 PolarHBondContact O-N 3.21Å; S11-N14 PolarHBondContact O-N 2.66Å; S11-A15 PolarHBondContact O-N 3.09Å; S11-A15 VanDerWaalsContact O-N 3.08Å |
| 12 | E | 93.1 | Very high | 84 | Confident | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | -179.6 | -57.1 | -46.5 | 121.2 | 0 | 0 | 112.5 | I8 N14 A15 V16 F66 A86 K89 F90 | I8-E12 HydrophobicContact CG2-CG 4.42Å; I8-E12 WeakPolarHBondContact O-CG 3.32Å; I8-E12 PolarHBondContact O-N 3.03Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 3.22Å; E12-A15 WeakPolarHBondContact O-CB 3.45Å; E12-A15 PolarHBondContact O-N 2.75Å; E12-A15 VanDerWaalsContact O-N 3.09Å; E12-V16 PolarHBondContact O-N 3.46Å; E12-F66 HydrophobicContact CB-CE1 4.07Å; E12-F66 HydrophobicContact CB-CZ 4.34Å; E12-A86 HydrophobicContact CB-CB 3.58Å; E12-A86 HydrophobicContact CG-CB 4Å; E12-K89 VanDerWaalsContact CD-CD 3.49Å; E12-K89 HydrophobicContact CG-CD 4.06Å; E12-K89 IonicContact OE1-NZ 2.92Å; E12-K89 PolarHBondContact OE1-NZ 3.37Å; E12-K89 IonicContact OE2-NZ 3.62Å; E12-K89 PolarHBondContact OE2-NZ 2.58Å; E12-F90 HydrophobicContact CB-CE1 4.25Å; E12-F90 HydrophobicContact CB-CZ 4.13Å; E12-F90 HydrophobicContact CG-CE1 4Å; E12-F90 HydrophobicContact CG-CZ 4.36Å |
| 13 | L | 92.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.4 | -43.2 | 173.5 | 177.3 | 147 | 0 | 0 | 0 | 111.5 | V9 M17 F41 L44 R45 L48 F66 | V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 PolarHBondContact O-N 2.99Å; L13-M17 HydrophobicContact CD2-CE 3.64Å; L13-M17 HydrophobicContact CD2-SD 4.35Å; L13-M17 WeakPolarHBondContact O-CB 3.49Å; L13-M17 WeakPolarHBondContact O-CG 3.4Å; L13-M17 PolarHBondContact O-N 3.4Å; L13-M17 VanDerWaalsContact O-N 3.08Å; L13-F41 HydrophobicContact CB-CD1 4.46Å; L13-F41 HydrophobicContact CD1-CD1 3.93Å; L13-F41 HydrophobicContact CG-CB 4.32Å; L13-F41 HydrophobicContact CG-CD1 3.75Å; L13-F41 HydrophobicContact CG-CG 4.41Å; L13-L44 HydrophobicContact CD1-CB 4.22Å; L13-L44 HydrophobicContact CD1-CD2 3.89Å; L13-L44 HydrophobicContact CD1-CG 3.84Å; L13-R45 HydrophobicContact CD1-CB 4.12Å; L13-R45 HydrophobicContact CD2-CB 3.93Å; L13-R45 HydrophobicContact CD2-CG 4.19Å; L13-L48 HydrophobicContact CD1-CD1 4.11Å; L13-F66 HydrophobicContact CB-CZ 3.98Å |
| 14 | N | 91.7 | Very high | 84.8 | Confident | 74 Ų | 74 | 47.2 Ų | 47.2 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.5 | -32.6 | 176.6 | -77.7 | -66.4 | 0 | 0 | 0 | 112.5 | H10 S11 E12 M17 T18 | H10-N14 PolarHBondContact O-N 3.4Å; H10-N14 PolarHBondContact O-ND2 3.12Å; S11-N14 PolarHBondContact O-N 2.66Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 3.22Å; N14-M17 VanDerWaalsContact OD1-CE 3.28Å; N14-M17 WeakPolarHBondContact OD1-CE 3.37Å; N14-T18 WeakPolarHBondContact O-CB 3.19Å; N14-T18 PolarHBondContact O-N 2.91Å; N14-T18 VanDerWaalsContact O-N 3.13Å; N14-T18 PolarHBondContact O-OG1 3.13Å |
| 15 | A | 91.8 | Very high | 84.1 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 23% | 0.231 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.5 | -48.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S11 E12 T18 Q19 Q82 | S11-A15 PolarHBondContact O-N 3.09Å; S11-A15 VanDerWaalsContact O-N 3.08Å; E12-A15 WeakPolarHBondContact O-CB 3.45Å; E12-A15 PolarHBondContact O-N 2.75Å; E12-A15 VanDerWaalsContact O-N 3.09Å; A15-T18 WeakPolarHBondContact O-CB 3.43Å; A15-T18 PolarHBondContact O-N 2.66Å; A15-T18 VanDerWaalsContact O-N 3.13Å; A15-Q19 PolarHBondContact O-N 2.98Å; A15-Q82 HydrophobicContact CB-CG 4.04Å |
| 16 | V | 89.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | E12 T18 Q19 L20 F41 F66 V69 Q82 A83 | E12-V16 PolarHBondContact O-N 3.46Å; V16-T18 PolarHBondContact O-N 3.03Å; V16-T18 VanDerWaalsContact O-N 3.15Å; V16-Q19 PolarHBondContact O-N 3.41Å; V16-Q19 VanDerWaalsContact O-N 3.1Å; V16-L20 HydrophobicContact CG1-CD1 4.11Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 PolarHBondContact O-N 3.06Å; V16-F41 HydrophobicContact CB-CE2 4.26Å; V16-F41 HydrophobicContact CB-CZ 4.03Å; V16-F41 HydrophobicContact CG1-CE2 3.55Å; V16-F41 HydrophobicContact CG1-CZ 3.59Å; V16-F66 HydrophobicContact CG2-CD1 3.93Å; V16-F66 HydrophobicContact CG2-CE1 3.92Å; V16-V69 HydrophobicContact CG1-CG2 4.25Å; V16-Q82 HydrophobicContact CG2-CG 3.98Å; V16-A83 HydrophobicContact CG1-CB 4.39Å; V16-A83 HydrophobicContact CG2-CB 4.17Å |
| 17 | M | 88.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.9 | -32 | 173.2 | -78.2 | -162.2 | -55.8 | 0 | 0 | 113 | L13 N14 R21 L38 F41 | L13-M17 HydrophobicContact CD2-CE 3.64Å; L13-M17 HydrophobicContact CD2-SD 4.35Å; L13-M17 WeakPolarHBondContact O-CB 3.49Å; L13-M17 WeakPolarHBondContact O-CG 3.4Å; L13-M17 PolarHBondContact O-N 3.4Å; L13-M17 VanDerWaalsContact O-N 3.08Å; N14-M17 VanDerWaalsContact OD1-CE 3.28Å; N14-M17 WeakPolarHBondContact OD1-CE 3.37Å; M17-R21 WeakPolarHBondContact O-CB 3.38Å; M17-R21 WeakPolarHBondContact O-CD 3.46Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 2.96Å; M17-R21 VanDerWaalsContact O-N 3.11Å; M17-R21 PolarHBondContact SD-NH2 3.22Å; M17-R21 VanDerWaalsContact SD-NH2 3.39Å; M17-L38 HydrophobicContact CB-CD2 4.39Å; M17-L38 HydrophobicContact CG-CD2 4.3Å; M17-F41 HydrophobicContact CG-CB 3.65Å; M17-F41 HydrophobicContact CG-CD2 4.24Å; M17-F41 HydrophobicContact CG-CG 4.06Å; M17-F41 HydrophobicContact SD-CB 3.96Å |
| 18 | T | 87.7 | Confident | 79.5 | Confident | 86 Ų | 86 | 60.4 Ų | 60.4 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | N14 A15 V16 R22 | N14-T18 WeakPolarHBondContact O-CB 3.19Å; N14-T18 PolarHBondContact O-N 2.91Å; N14-T18 VanDerWaalsContact O-N 3.13Å; N14-T18 PolarHBondContact O-OG1 3.13Å; A15-T18 WeakPolarHBondContact O-CB 3.43Å; A15-T18 PolarHBondContact O-N 2.66Å; A15-T18 VanDerWaalsContact O-N 3.13Å; V16-T18 PolarHBondContact O-N 3.03Å; V16-T18 VanDerWaalsContact O-N 3.15Å; T18-R22 PolarHBondContact O-N 2.71Å |
| 19 | Q | 86 | Confident | 77.8 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.7 | -41.8 | 174.9 | -59.8 | -65.7 | 20 | 0 | 0 | 112.2 | A15 V16 R21 R22 N23 A79 Q82 | A15-Q19 PolarHBondContact O-N 2.98Å; V16-Q19 PolarHBondContact O-N 3.41Å; V16-Q19 VanDerWaalsContact O-N 3.1Å; Q19-R21 PolarHBondContact O-N 3.32Å; Q19-R22 WeakPolarHBondContact O-CA 3.43Å; Q19-R22 WeakPolarHBondContact O-CB 3.32Å; Q19-R22 PolarHBondContact O-N 2.89Å; Q19-N23 PolarHBondContact O-N 3.33Å; Q19-A79 HydrophobicContact CB-CB 4.21Å; Q19-Q82 HydrophobicContact CG-CB 3.92Å; Q19-Q82 HydrophobicContact CG-CG 3.99Å |
| 20 | L | 83.5 | Confident | 76.1 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 175.2 | -69.4 | 172.5 | 0 | 0 | 0 | 111.6 | V16 R22 N23 Q24 F37 L38 F41 V69 T75 A79 | V16-L20 HydrophobicContact CG1-CD1 4.11Å; V16-L20 HydrophobicContact CG1-CG 4.36Å; V16-L20 PolarHBondContact O-N 3.06Å; L20-R22 PolarHBondContact O-N 3.31Å; L20-N23 PolarHBondContact O-N 3.37Å; L20-Q24 PolarHBondContact O-N 3.17Å; L20-Q24 VanDerWaalsContact O-N 3.13Å; L20-F37 HydrophobicContact CD1-CB 3.85Å; L20-L38 HydrophobicContact CB-CD2 3.77Å; L20-L38 HydrophobicContact CB-CG 4.45Å; L20-L38 HydrophobicContact CD1-CD2 4.07Å; L20-F41 HydrophobicContact CD1-CD2 3.98Å; L20-F41 HydrophobicContact CD1-CE2 3.87Å; L20-V69 HydrophobicContact CD1-CG2 4.09Å; L20-V69 HydrophobicContact CD2-CG2 4.36Å; L20-T75 HydrophobicContact CD2-CG2 4.17Å; L20-A79 HydrophobicContact CD2-CB 4.14Å |
| 21 | R | 83.1 | Confident | 74.5 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -18.1 | 174.4 | -70.5 | 170.4 | -172.9 | 157.5 | 6.1 | 114.1 | M17 Q19 R25 L38 | M17-R21 WeakPolarHBondContact O-CB 3.38Å; M17-R21 WeakPolarHBondContact O-CD 3.46Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-N 2.96Å; M17-R21 VanDerWaalsContact O-N 3.11Å; M17-R21 PolarHBondContact SD-NH2 3.22Å; M17-R21 VanDerWaalsContact SD-NH2 3.39Å; Q19-R21 PolarHBondContact O-N 3.32Å; R21-R25 WeakPolarHBondContact O-CG 3.31Å; R21-L38 HydrophobicContact CG-CD1 3.94Å; R21-L38 HydrophobicContact CG-CD2 3.98Å |
| 22 | R | 75.8 | Confident | 72.7 | Confident | 178 Ų | 178 | 71.8 Ų | 71.8 | 67% | 0.672 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -82.1 | -43 | 172.5 | -173.9 | 177 | 178 | 168.3 | -2.7 | 110.6 | T18 Q19 L20 R25 | T18-R22 PolarHBondContact O-N 2.71Å; Q19-R22 WeakPolarHBondContact O-CA 3.43Å; Q19-R22 WeakPolarHBondContact O-CB 3.32Å; Q19-R22 PolarHBondContact O-N 2.89Å; L20-R22 PolarHBondContact O-N 3.31Å; R22-R25 PolarHBondContact O-N 3.31Å |
| 23 | N | 68.5 | Low | 71 | Confident | 24 Ų | 24 | 76 Ų | 76 | 13% | 0.128 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 178.2 | -164.6 | 41.1 | 0 | 0 | 0 | 112.2 | Q19 L20 R25 V26 Q27 C76 | Q19-N23 PolarHBondContact O-N 3.33Å; L20-N23 PolarHBondContact O-N 3.37Å; N23-R25 PolarHBondContact O-N 2.97Å; N23-V26 WeakPolarHBondContact O-CB 3.43Å; N23-V26 PolarHBondContact O-N 3.43Å; N23-Q27 PolarHBondContact ND2-OE1 3.07Å; N23-Q27 PolarHBondContact O-N 2.68Å; N23-C76 PolarHBondContact OD1-SG 2.88Å |
| 24 | Q | 65 | Low | 69.5 | Low | 34 Ų | 34 | 83.6 Ų | 83.6 | 16% | 0.159 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -23.5 | 175.7 | -72.9 | -169.9 | -20.2 | 0 | 0 | 114.9 | L20 V26 D35 | L20-Q24 PolarHBondContact O-N 3.17Å; L20-Q24 VanDerWaalsContact O-N 3.13Å; Q24-V26 VanDerWaalsContact C-N 3.3Å; Q24-D35 PolarHBondContact NE2-OD2 3.01Å |
| 25 | R | 60 | Low | 68.5 | Low | 222 Ų | 222 | 81.4 Ų | 81.4 | 84% | 0.838 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.6 | 177.4 | -67.2 | 174.5 | -178.6 | -169.9 | -0.9 | 113 | R21 R22 N23 | R21-R25 WeakPolarHBondContact O-CG 3.31Å; R22-R25 PolarHBondContact O-N 3.31Å; N23-R25 PolarHBondContact O-N 2.97Å |
| 26 | V | 54.9 | Low | 67.9 | Low | 120 Ų | 120 | 84.1 Ų | 84.1 | 73% | 0.727 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -44.6 | 175.2 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | N23 Q24 S28 | N23-V26 WeakPolarHBondContact O-CB 3.43Å; N23-V26 PolarHBondContact O-N 3.43Å; Q24-V26 VanDerWaalsContact C-N 3.3Å; V26-S28 PolarHBondContact O-N 2.89Å; V26-S28 VanDerWaalsContact O-N 3.07Å |
| 27 | Q | 56.3 | Low | 67.6 | Low | 93 Ų | 93 | 85.6 Ų | 85.6 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -83.3 | 75.6 | 176.1 | -68.5 | 177.8 | -21 | 0 | 0 | 112.3 | N23 G29 | N23-Q27 PolarHBondContact ND2-OE1 3.07Å; N23-Q27 PolarHBondContact O-N 2.68Å; Q27-G29 PolarHBondContact O-N 3.43Å |
| 28 | S | 45.6 | Very low | 67.3 | Low | 112 Ų | 112 | 86 Ų | 86 | 78% | 0.783 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 23.2 | 88.7 | 158.7 | 50 | 0 | 0 | 0 | 0 | 119.8 | V26 V30 | V26-S28 PolarHBondContact O-N 2.89Å; V26-S28 VanDerWaalsContact O-N 3.07Å; S28-V30 PolarHBondContact O-N 3.01Å |
| 29 | G | 52.4 | Low | 67.2 | Low | 82 Ų | 82 | 90 Ų | 90 | 85% | 0.845 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 2.3 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q27 | Q27-G29 PolarHBondContact O-N 3.43Š|
| 30 | V | 52 | Low | 67.2 | Low | 95 Ų | 95 | 89 Ų | 89 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | trans | -79.8 | 142.2 | 175.4 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | S28 | S28-V30 PolarHBondContact O-N 3.01Š| ||
| 31 | S | 54.6 | Low | 67.6 | Low | 68 Ų | 68 | 88.8 Ų | 88.8 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | trans | -76.1 | 141.5 | 177.7 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | S33 Q34 | S31-S33 PolarHBondContact O-N 3.31Å; S31-S33 PolarHBondContact OG-OG 2.95Å; S31-Q34 PolarHBondContact O-N 3.07Å | ||
| 32 | N | 53.8 | Low | 67.7 | Low | 124 Ų | 124 | 86.1 Ų | 86.1 | 66% | 0.663 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.9 | -13.9 | 179.9 | -70.5 | -4.2 | 0 | 0 | 0 | 117.8 | ||
| 33 | S | 57.4 | Low | 68.3 | Low | 104 Ų | 104 | 81.6 Ų | 81.6 | 73% | 0.727 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -2.2 | -170 | 55 | 0 | 0 | 0 | 0 | 116 | S31 | S31-S33 PolarHBondContact O-N 3.31Å; S31-S33 PolarHBondContact OG-OG 2.95Å |
| 34 | Q | 60.6 | Low | 69.3 | Low | 158 Ų | 158 | 80.8 Ų | 80.8 | 74% | 0.738 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -116.4 | 2.4 | -178.2 | -73.5 | -165.6 | -27 | 0 | 0 | 115.2 | S31 | S31-Q34 PolarHBondContact O-N 3.07Š|
| 35 | D | 71.8 | Confident | 70.5 | Confident | 28 Ų | 28 | 82.7 Ų | 82.7 | 15% | 0.15 | 46% | 0.455 | C | S | . | . | trans | -78.1 | 122.2 | 177.2 | -176.5 | -47.8 | 0 | 0 | 0 | 111.1 | Q24 F37 L38 R39 | Q24-D35 PolarHBondContact NE2-OD2 3.01Å; D35-F37 VanDerWaalsContact C-N 3.33Å; D35-F37 PolarHBondContact O-N 3.47Å; D35-F37 WeakPolarHBondContact OD1-CA 3.32Å; D35-F37 VanDerWaalsContact OD1-CB 3.32Å; D35-F37 WeakPolarHBondContact OD1-CB 3.41Å; D35-F37 WeakPolarHBondContact OD1-CD2 3.36Å; D35-F37 PolarHBondContact OD1-N 3.09Å; D35-L38 HydrophobicContact CB-CB 4.05Å; D35-L38 HydrophobicContact CB-CD1 4.11Å; D35-L38 HydrophobicContact CB-CG 4.09Å; D35-L38 PolarHBondContact OD1-N 2.93Å; D35-R39 WeakPolarHBondContact O-CB 3.45Å; D35-R39 PolarHBondContact O-N 3.35Å; D35-R39 VanDerWaalsContact O-N 3.12Å | ||
| 36 | P | 78.6 | Confident | 71.9 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.7 | -31.1 | -178.1 | 27.9 | -34.2 | 0 | 0 | 0 | 112.8 | R39 S40 | P36-R39 PolarHBondContact O-N 3.44Å; P36-S40 PolarHBondContact O-N 3.49Å; P36-S40 PolarHBondContact O-OG 3.05Å |
| 37 | F | 82.8 | Confident | 73.5 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -75.1 | -43.1 | 179.4 | -49.6 | -72.4 | 0 | 0 | 0 | 111.2 | L20 D35 R39 S40 F41 D68 V69 S72 | L20-F37 HydrophobicContact CD1-CB 3.85Å; D35-F37 VanDerWaalsContact C-N 3.33Å; D35-F37 PolarHBondContact O-N 3.47Å; D35-F37 WeakPolarHBondContact OD1-CA 3.32Å; D35-F37 VanDerWaalsContact OD1-CB 3.32Å; D35-F37 WeakPolarHBondContact OD1-CB 3.41Å; D35-F37 WeakPolarHBondContact OD1-CD2 3.36Å; D35-F37 PolarHBondContact OD1-N 3.09Å; F37-R39 PolarHBondContact O-N 3.44Å; F37-S40 PolarHBondContact O-N 2.91Å; F37-S40 PolarHBondContact O-OG 3.1Å; F37-S40 VanDerWaalsContact O-OG 3.12Å; F37-F41 WeakPolarHBondContact O-CD2 3.49Å; F37-F41 PolarHBondContact O-N 3.43Å; F37-F41 VanDerWaalsContact O-N 3.07Å; F37-D68 HydrophobicContact CD1-CB 4.27Å; F37-D68 HydrophobicContact CE1-CB 4.28Å; F37-D68 VanDerWaalsContact CE1-O 3.32Å; F37-D68 WeakPolarHBondContact CE1-O 3.25Å; F37-V69 HydrophobicContact CB-CG2 4.27Å; F37-V69 HydrophobicContact CD1-CG2 4.12Å; F37-V69 HydrophobicContact CG-CG2 4.36Å; F37-S72 WeakPolarHBondContact CZ-OG 3.33Å |
| 38 | L | 83.2 | Confident | 74.9 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.3 | -28 | 173 | -67 | -177.7 | 0 | 0 | 0 | 112.2 | M17 L20 R21 D35 T42 | M17-L38 HydrophobicContact CB-CD2 4.39Å; M17-L38 HydrophobicContact CG-CD2 4.3Å; L20-L38 HydrophobicContact CB-CD2 3.77Å; L20-L38 HydrophobicContact CB-CG 4.45Å; L20-L38 HydrophobicContact CD1-CD2 4.07Å; R21-L38 HydrophobicContact CG-CD1 3.94Å; R21-L38 HydrophobicContact CG-CD2 3.98Å; D35-L38 HydrophobicContact CB-CB 4.05Å; D35-L38 HydrophobicContact CB-CD1 4.11Å; D35-L38 HydrophobicContact CB-CG 4.09Å; D35-L38 PolarHBondContact OD1-N 2.93Å; L38-T42 WeakPolarHBondContact O-CB 3.31Å; L38-T42 PolarHBondContact O-N 2.86Å; L38-T42 PolarHBondContact O-OG1 2.99Å |
| 39 | R | 85 | Confident | 76.9 | Confident | 171 Ų | 171 | 68.1 Ų | 68.1 | 65% | 0.645 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.7 | -50.8 | 171.5 | -175.5 | 173.3 | 179.7 | 162.3 | 2.5 | 112.1 | D35 P36 F37 F41 T42 D43 | D35-R39 WeakPolarHBondContact O-CB 3.45Å; D35-R39 PolarHBondContact O-N 3.35Å; D35-R39 VanDerWaalsContact O-N 3.12Å; P36-R39 PolarHBondContact O-N 3.44Å; F37-R39 PolarHBondContact O-N 3.44Å; R39-F41 VanDerWaalsContact C-N 3.29Å; R39-F41 PolarHBondContact O-N 3.05Å; R39-T42 CarbonylContact O-C 3.34Å; R39-T42 WeakPolarHBondContact O-CA 3.4Å; R39-T42 WeakPolarHBondContact O-CB 3.47Å; R39-T42 PolarHBondContact O-N 3.33Å; R39-D43 IonicContact NE-OD2 2.71Å; R39-D43 PolarHBondContact O-N 3.46Å |
| 40 | S | 86.5 | Confident | 78.6 | Confident | 27 Ų | 27 | 68.7 Ų | 68.7 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.7 | -35.2 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | P36 F37 L44 | P36-S40 PolarHBondContact O-N 3.49Å; P36-S40 PolarHBondContact O-OG 3.05Å; F37-S40 PolarHBondContact O-N 2.91Å; F37-S40 PolarHBondContact O-OG 3.1Å; F37-S40 VanDerWaalsContact O-OG 3.12Å; S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.3Å; S40-L44 PolarHBondContact O-N 3.42Å |
| 41 | F | 90.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.8 | -27.1 | 169.5 | -75 | -61.6 | 0 | 0 | 0 | 114.3 | L13 V16 M17 L20 F37 R39 R45 P65 F66 V69 | L13-F41 HydrophobicContact CB-CD1 4.46Å; L13-F41 HydrophobicContact CD1-CD1 3.93Å; L13-F41 HydrophobicContact CG-CB 4.32Å; L13-F41 HydrophobicContact CG-CD1 3.75Å; L13-F41 HydrophobicContact CG-CG 4.41Å; V16-F41 HydrophobicContact CB-CE2 4.26Å; V16-F41 HydrophobicContact CB-CZ 4.03Å; V16-F41 HydrophobicContact CG1-CE2 3.55Å; V16-F41 HydrophobicContact CG1-CZ 3.59Å; M17-F41 HydrophobicContact CG-CB 3.65Å; M17-F41 HydrophobicContact CG-CD2 4.24Å; M17-F41 HydrophobicContact CG-CG 4.06Å; M17-F41 HydrophobicContact SD-CB 3.96Å; L20-F41 HydrophobicContact CD1-CD2 3.98Å; L20-F41 HydrophobicContact CD1-CE2 3.87Å; F37-F41 WeakPolarHBondContact O-CD2 3.49Å; F37-F41 PolarHBondContact O-N 3.43Å; F37-F41 VanDerWaalsContact O-N 3.07Å; R39-F41 VanDerWaalsContact C-N 3.29Å; R39-F41 PolarHBondContact O-N 3.05Å; F41-R45 VanDerWaalsContact O-CB 3.24Å; F41-R45 WeakPolarHBondContact O-CB 3.47Å; F41-R45 PolarHBondContact O-N 2.95Å; F41-P65 HydrophobicContact CD1-CB 3.8Å; F41-P65 HydrophobicContact CE1-CB 3.69Å; F41-P65 HydrophobicContact CG-CB 4.29Å; F41-P65 HydrophobicContact CZ-CB 4.06Å; F41-P65 WeakPolarHBondContact CZ-O 3.23Å; F41-F66 AromaticContact CE1-CD1 3.86Å; F41-F66 HydrophobicContact CE1-CD1 3.86Å; F41-F66 AromaticContact CE1-CD2 3.93Å; F41-F66 HydrophobicContact CE1-CD2 3.93Å; F41-F66 AromaticContact CE1-CE1 3.81Å; F41-F66 HydrophobicContact CE1-CE1 3.81Å; F41-F66 AromaticContact CE1-CE2 3.89Å; F41-F66 HydrophobicContact CE1-CE2 3.89Å; F41-F66 AromaticContact CE1-CG 3.92Å; F41-F66 HydrophobicContact CE1-CG 3.92Å; F41-F66 AromaticContact CE1-CZ 3.84Å; F41-F66 HydrophobicContact CE1-CZ 3.84Å; F41-F66 HydrophobicContact CZ-CD1 4.01Å; F41-F66 HydrophobicContact CZ-CE1 4.32Å; F41-F66 HydrophobicContact CZ-CG 4.16Å; F41-V69 HydrophobicContact CE2-CG2 3.75Å; F41-V69 HydrophobicContact CZ-CG2 4.23Å |
| 42 | T | 86.6 | Confident | 81.4 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.2 | -48.1 | 173 | -63.9 | 0 | 0 | 0 | 0 | 110.3 | L38 R39 L44 R45 D46 | L38-T42 WeakPolarHBondContact O-CB 3.31Å; L38-T42 PolarHBondContact O-N 2.86Å; L38-T42 PolarHBondContact O-OG1 2.99Å; R39-T42 CarbonylContact O-C 3.34Å; R39-T42 WeakPolarHBondContact O-CA 3.4Å; R39-T42 WeakPolarHBondContact O-CB 3.47Å; R39-T42 PolarHBondContact O-N 3.33Å; T42-L44 PolarHBondContact O-N 3.17Å; T42-R45 PolarHBondContact O-N 3.01Å; T42-D46 PolarHBondContact O-N 2.72Å |
| 43 | D | 88 | Confident | 82.7 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 177.6 | -62.4 | -22 | 0 | 0 | 0 | 110.6 | R39 D46 V47 | R39-D43 IonicContact NE-OD2 2.71Å; R39-D43 PolarHBondContact O-N 3.46Å; D43-D46 PolarHBondContact O-N 3.12Å; D43-V47 WeakPolarHBondContact O-CG2 3.35Å; D43-V47 PolarHBondContact O-N 3.24Å |
| 44 | L | 89.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.3 | 173.2 | 58.3 | 0 | 0 | 0 | 113 | L13 S40 T42 D46 V47 L48 F62 P65 F66 | L13-L44 HydrophobicContact CD1-CB 4.22Å; L13-L44 HydrophobicContact CD1-CD2 3.89Å; L13-L44 HydrophobicContact CD1-CG 3.84Å; S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.3Å; S40-L44 PolarHBondContact O-N 3.42Å; T42-L44 PolarHBondContact O-N 3.17Å; L44-D46 PolarHBondContact O-N 3.17Å; L44-V47 WeakPolarHBondContact O-CB 3.47Å; L44-V47 PolarHBondContact O-N 3.27Å; L44-L48 HydrophobicContact CD1-CD1 3.95Å; L44-L48 HydrophobicContact CD1-CD2 4.33Å; L44-L48 HydrophobicContact CD1-CG 3.85Å; L44-L48 HydrophobicContact CD2-CD1 4.49Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.28Å; L44-L48 WeakPolarHBondContact O-CG 3.15Å; L44-L48 PolarHBondContact O-N 3.48Å; L44-F62 HydrophobicContact CD1-CB 3.92Å; L44-F62 WeakPolarHBondContact CD2-O 3.44Å; L44-P65 HydrophobicContact CB-CG 4.07Å; L44-P65 HydrophobicContact CD2-CB 4.29Å; L44-P65 HydrophobicContact CD2-CG 3.78Å; L44-F66 HydrophobicContact CD2-CE2 4.08Å |
| 45 | R | 89.9 | Confident | 84.8 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 28% | 0.275 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.4 | -39.2 | 176.8 | -176.8 | -159 | 66.1 | -153.3 | -7.2 | 110.7 | L13 F41 T42 L48 N49 | L13-R45 HydrophobicContact CD1-CB 4.12Å; L13-R45 HydrophobicContact CD2-CB 3.93Å; L13-R45 HydrophobicContact CD2-CG 4.19Å; F41-R45 VanDerWaalsContact O-CB 3.24Å; F41-R45 WeakPolarHBondContact O-CB 3.47Å; F41-R45 PolarHBondContact O-N 2.95Å; T42-R45 PolarHBondContact O-N 3.01Å; R45-L48 PolarHBondContact O-N 3.12Å; R45-N49 WeakPolarHBondContact O-CB 3.29Å; R45-N49 PolarHBondContact O-N 3.09Å; R45-N49 PolarHBondContact O-ND2 3.36Å; R45-N49 VanDerWaalsContact O-ND2 3.16Å |
| 46 | D | 88.9 | Confident | 85.3 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.7 | -28.6 | -178.1 | -64.4 | -6.4 | 0 | 0 | 0 | 111.8 | T42 D43 L44 | T42-D46 PolarHBondContact O-N 2.72Å; D43-D46 PolarHBondContact O-N 3.12Å; L44-D46 PolarHBondContact O-N 3.17Å |
| 47 | V | 88.3 | Confident | 85.5 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 35% | 0.352 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 163.6 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | D43 L44 N49 S50 | D43-V47 WeakPolarHBondContact O-CG2 3.35Å; D43-V47 PolarHBondContact O-N 3.24Å; L44-V47 WeakPolarHBondContact O-CB 3.47Å; L44-V47 PolarHBondContact O-N 3.27Å; V47-N49 VanDerWaalsContact C-N 3.3Å; V47-N49 PolarHBondContact O-N 3.03Å; V47-S50 WeakPolarHBondContact O-CB 3.49Å; V47-S50 PolarHBondContact O-N 3.05Å; V47-S50 PolarHBondContact O-OG 3.07Å |
| 48 | L | 86.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | -178.1 | -65.2 | 165.1 | 0 | 0 | 0 | 111.9 | L6 V9 H10 L13 L44 R45 S50 V51 L54 F62 | L6-L48 HydrophobicContact CD1-CB 4.37Å; L6-L48 HydrophobicContact CD1-CD2 3.8Å; V9-L48 HydrophobicContact CB-CD1 4.24Å; V9-L48 HydrophobicContact CG1-CD1 3.58Å; V9-L48 HydrophobicContact CG1-CD2 4.26Å; H10-L48 VanDerWaalsContact CE1-CB 3.49Å; H10-L48 WeakPolarHBondContact CE1-CB 3.48Å; H10-L48 WeakPolarHBondContact NE2-CB 3.3Å; L13-L48 HydrophobicContact CD1-CD1 4.11Å; L44-L48 HydrophobicContact CD1-CD1 3.95Å; L44-L48 HydrophobicContact CD1-CD2 4.33Å; L44-L48 HydrophobicContact CD1-CG 3.85Å; L44-L48 HydrophobicContact CD2-CD1 4.49Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.28Å; L44-L48 WeakPolarHBondContact O-CG 3.15Å; L44-L48 PolarHBondContact O-N 3.48Å; R45-L48 PolarHBondContact O-N 3.12Å; L48-S50 PolarHBondContact O-N 3.1Å; L48-S50 VanDerWaalsContact O-N 3.16Å; L48-V51 PolarHBondContact O-N 2.93Å; L48-L54 HydrophobicContact CD2-CD1 3.93Å; L48-F62 HydrophobicContact CD2-CB 4.39Å |
| 49 | N | 87.6 | Confident | 85.7 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17 | 172.3 | -72.7 | -28 | 0 | 0 | 0 | 114.1 | H10 R45 V47 | H10-N49 PolarHBondContact CE1-OD1 3.14Å; R45-N49 WeakPolarHBondContact O-CB 3.29Å; R45-N49 PolarHBondContact O-N 3.09Å; R45-N49 PolarHBondContact O-ND2 3.36Å; R45-N49 VanDerWaalsContact O-ND2 3.16Å; V47-N49 VanDerWaalsContact C-N 3.3Å; V47-N49 PolarHBondContact O-N 3.03Å |
| 50 | S | 87 | Confident | 85.7 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -1 | -176.1 | 74.8 | 0 | 0 | 0 | 0 | 114.5 | V47 L48 | V47-S50 WeakPolarHBondContact O-CB 3.49Å; V47-S50 PolarHBondContact O-N 3.05Å; V47-S50 PolarHBondContact O-OG 3.07Å; L48-S50 PolarHBondContact O-N 3.1Å; L48-S50 VanDerWaalsContact O-N 3.16Å |
| 51 | V | 84.4 | Confident | 85.8 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | trans | -126.1 | 145.1 | -169.7 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | L48 D53 D56 V57 | L48-V51 PolarHBondContact O-N 2.93Å; V51-D53 WeakPolarHBondContact CG1-O 3.14Å; V51-D56 HydrophobicContact CG1-CB 3.78Å; V51-V57 HydrophobicContact CB-CG2 4.3Å; V51-V57 HydrophobicContact CG1-CG2 3.99Å; V51-V57 HydrophobicContact CG2-CG2 4.11Å | ||
| 52 | S | 81 | Confident | 85.7 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 66% | 0.657 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -90.9 | -31.3 | -177.7 | 43.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 53 | D | 81.1 | Confident | 86 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | trans | -135.6 | 139.9 | 175 | -162.5 | -56.8 | 0 | 0 | 0 | 110.2 | G2 T3 V51 T55 D56 | G2-D53 WeakPolarHBondContact CA-OD1 3.39Å; G2-D53 VanDerWaalsContact CA-OD2 3.32Å; G2-D53 WeakPolarHBondContact CA-OD2 3.29Å; T3-D53 PolarHBondContact N-OD2 3.32Å; V51-D53 WeakPolarHBondContact CG1-O 3.14Å; D53-T55 PolarHBondContact O-N 3.36Å; D53-T55 VanDerWaalsContact O-N 3.12Å; D53-T55 PolarHBondContact OD1-N 3.11Å; D53-T55 PolarHBondContact OD1-OG1 2.98Å; D53-D56 PolarHBondContact O-N 3.07Å; D53-D56 VanDerWaalsContact O-N 3.07Å | ||
| 54 | L | 82.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -60.7 | -20.6 | 178.7 | -165.9 | 68 | 0 | 0 | 0 | 112.7 | A5 L6 V9 L48 D56 V57 F62 M95 | A5-L54 HydrophobicContact CB-CB 4.4Å; A5-L54 HydrophobicContact CB-CD2 3.69Å; L6-L54 HydrophobicContact CB-CB 4.41Å; L6-L54 HydrophobicContact CD1-CB 4.49Å; L6-L54 HydrophobicContact CD1-CD1 4.08Å; V9-L54 HydrophobicContact CG2-CD1 4.03Å; V9-L54 HydrophobicContact CG2-CD2 3.78Å; L48-L54 HydrophobicContact CD2-CD1 3.93Å; L54-D56 PolarHBondContact O-N 2.95Å; L54-V57 PolarHBondContact O-N 3.45Å; L54-V57 VanDerWaalsContact O-N 3.14Å; L54-F62 HydrophobicContact CD1-CD1 3.64Å; L54-F62 HydrophobicContact CD1-CE1 3.84Å; L54-F62 HydrophobicContact CD1-CG 4.05Å; L54-F62 HydrophobicContact CD1-CZ 4.44Å; L54-F62 HydrophobicContact CD2-CD1 4.45Å; L54-F62 HydrophobicContact CD2-CE1 3.87Å; L54-F62 HydrophobicContact CD2-CE2 4.24Å; L54-F62 HydrophobicContact CD2-CZ 3.77Å; L54-F62 HydrophobicContact CG-CD1 4.07Å; L54-F62 HydrophobicContact CG-CE1 3.72Å; L54-F62 HydrophobicContact CG-CZ 4.17Å; L54-M95 HydrophobicContact CD2-CE 3.57Å |
| 55 | T | 80.9 | Confident | 86.3 | Confident | 111 Ų | 111 | 49 Ų | 49 | 68% | 0.681 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -61.1 | -23.3 | 173.7 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | D53 V57 | D53-T55 PolarHBondContact O-N 3.36Å; D53-T55 VanDerWaalsContact O-N 3.12Å; D53-T55 PolarHBondContact OD1-N 3.11Å; D53-T55 PolarHBondContact OD1-OG1 2.98Å; T55-V57 VanDerWaalsContact C-N 3.26Å |
| 56 | D | 81.2 | Confident | 86.5 | Confident | 108 Ų | 108 | 45.5 Ų | 45.5 | 58% | 0.578 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -82.9 | -8.2 | -178.9 | -49.8 | -28.5 | 0 | 0 | 0 | 111.6 | V51 D53 L54 | V51-D56 HydrophobicContact CG1-CB 3.78Å; D53-D56 PolarHBondContact O-N 3.07Å; D53-D56 VanDerWaalsContact O-N 3.07Å; L54-D56 PolarHBondContact O-N 2.95Å |
| 57 | V | 83.5 | Confident | 86.7 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -103.2 | 122.7 | 176.5 | -172 | 0 | 0 | 0 | 0 | 109.8 | V51 L54 T55 V61 F62 | V51-V57 HydrophobicContact CB-CG2 4.3Å; V51-V57 HydrophobicContact CG1-CG2 3.99Å; V51-V57 HydrophobicContact CG2-CG2 4.11Å; L54-V57 PolarHBondContact O-N 3.45Å; L54-V57 VanDerWaalsContact O-N 3.14Å; T55-V57 VanDerWaalsContact C-N 3.26Å; V57-V61 HydrophobicContact CG1-CB 4.01Å; V57-V61 HydrophobicContact CG1-CG1 4.2Å; V57-F62 HydrophobicContact CB-CD1 4.3Å; V57-F62 HydrophobicContact CG1-CB 4.31Å; V57-F62 HydrophobicContact CG1-CD1 4.05Å |
| 58 | A | 84.1 | Confident | 86.8 | Confident | 40 Ų | 40 | 42 Ų | 42 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | trans | -58.6 | 128.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S60 V61 T102 | A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 3.46Å; A58-V61 HydrophobicContact CB-CG2 4.16Å; A58-V61 WeakPolarHBondContact O-CB 3.47Å; A58-V61 PolarHBondContact O-N 3.37Å; A58-T102 HydrophobicContact CB-CG2 4.38Å | ||
| 59 | P | 86.4 | Confident | 87 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.071 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -24.2 | -164.9 | -27.3 | 36.5 | 0 | 0 | 0 | 116.2 | V61 F62 V63 F96 T102 A106 | P59-V61 VanDerWaalsContact C-N 3.28Å; P59-V61 PolarHBondContact O-N 3.09Å; P59-F62 HydrophobicContact CB-CE1 3.86Å; P59-F62 HydrophobicContact CB-CZ 4.1Å; P59-F62 HydrophobicContact CG-CE1 4.31Å; P59-V63 VanDerWaalsContact O-CB 3.32Å; P59-V63 WeakPolarHBondContact O-CB 3.49Å; P59-V63 WeakPolarHBondContact O-CG2 3.49Å; P59-V63 PolarHBondContact O-N 3.11Å; P59-F96 HydrophobicContact CB-CD1 3.75Å; P59-F96 HydrophobicContact CB-CE1 3.8Å; P59-F96 HydrophobicContact CG-CD1 4.45Å; P59-T102 VanDerWaalsContact CD-OG1 3.26Å; P59-T102 WeakPolarHBondContact CD-OG1 3.35Å; P59-A106 HydrophobicContact CB-CB 3.84Å |
| 60 | S | 85.6 | Confident | 87.2 | Confident | 29 Ų | 29 | 37 Ų | 37 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -33.3 | 171.9 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | A58 V63 S64 Q109 | A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 3.46Å; S60-V63 PolarHBondContact O-N 3.17Å; S60-S64 WeakPolarHBondContact O-CB 3.36Å; S60-S64 PolarHBondContact O-N 3.22Å; S60-Q109 VanDerWaalsContact CB-OE1 3.26Å |
| 61 | V | 87.6 | Confident | 87.3 | Confident | 74 Ų | 74 | 36.9 Ų | 36.9 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.1 | -43.9 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | V57 A58 P59 | V57-V61 HydrophobicContact CG1-CB 4.01Å; V57-V61 HydrophobicContact CG1-CG1 4.2Å; A58-V61 HydrophobicContact CB-CG2 4.16Å; A58-V61 WeakPolarHBondContact O-CB 3.47Å; A58-V61 PolarHBondContact O-N 3.37Å; P59-V61 VanDerWaalsContact C-N 3.28Å; P59-V61 PolarHBondContact O-N 3.09Å |
| 62 | F | 90.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -82.9 | -13.5 | 179.2 | 75.4 | -108 | 0 | 0 | 0 | 114.1 | V9 L44 L48 L54 V57 P59 F66 F90 M95 F96 | V9-F62 HydrophobicContact CG1-CB 4.33Å; V9-F62 HydrophobicContact CG1-CD2 4.27Å; V9-F62 HydrophobicContact CG2-CD2 3.86Å; V9-F62 HydrophobicContact CG2-CE2 4.09Å; V9-F62 HydrophobicContact CG2-CG 4.49Å; L44-F62 HydrophobicContact CD1-CB 3.92Å; L44-F62 WeakPolarHBondContact CD2-O 3.44Å; L48-F62 HydrophobicContact CD2-CB 4.39Å; L54-F62 HydrophobicContact CD1-CD1 3.64Å; L54-F62 HydrophobicContact CD1-CE1 3.84Å; L54-F62 HydrophobicContact CD1-CG 4.05Å; L54-F62 HydrophobicContact CD1-CZ 4.44Å; L54-F62 HydrophobicContact CD2-CD1 4.45Å; L54-F62 HydrophobicContact CD2-CE1 3.87Å; L54-F62 HydrophobicContact CD2-CE2 4.24Å; L54-F62 HydrophobicContact CD2-CZ 3.77Å; L54-F62 HydrophobicContact CG-CD1 4.07Å; L54-F62 HydrophobicContact CG-CE1 3.72Å; L54-F62 HydrophobicContact CG-CZ 4.17Å; V57-F62 HydrophobicContact CB-CD1 4.3Å; V57-F62 HydrophobicContact CG1-CB 4.31Å; V57-F62 HydrophobicContact CG1-CD1 4.05Å; P59-F62 HydrophobicContact CB-CE1 3.86Å; P59-F62 HydrophobicContact CB-CZ 4.1Å; P59-F62 HydrophobicContact CG-CE1 4.31Å; F62-F66 WeakPolarHBondContact O-CD2 3.36Å; F62-F66 VanDerWaalsContact O-CE2 3.32Å; F62-F66 WeakPolarHBondContact O-CE2 3.46Å; F62-F90 HydrophobicContact CE2-CD2 4.37Å; F62-M95 HydrophobicContact CE2-CE 4.22Å; F62-F96 HydrophobicContact CZ-CE1 4.34Å |
| 63 | V | 91.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -95.3 | -35.7 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 112.6 | P59 S60 F66 L67 F90 F96 I110 | P59-V63 VanDerWaalsContact O-CB 3.32Å; P59-V63 WeakPolarHBondContact O-CB 3.49Å; P59-V63 WeakPolarHBondContact O-CG2 3.49Å; P59-V63 PolarHBondContact O-N 3.11Å; S60-V63 PolarHBondContact O-N 3.17Å; V63-F66 WeakPolarHBondContact O-CB 3.43Å; V63-F66 PolarHBondContact O-N 3.49Å; V63-L67 HydrophobicContact CG1-CD1 3.73Å; V63-L67 HydrophobicContact CG1-CD2 3.76Å; V63-L67 HydrophobicContact CG1-CG 3.62Å; V63-L67 PolarHBondContact O-N 3.47Å; V63-F90 HydrophobicContact CG2-CD2 4.25Å; V63-F96 HydrophobicContact CG2-CE1 3.85Å; V63-F96 HydrophobicContact CG2-CZ 3.8Å; V63-I110 HydrophobicContact CG1-CD1 4.09Å; V63-I110 HydrophobicContact CG1-CG1 3.69Å |
| 64 | S | 91.4 | Very high | 87.3 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -48.3 | -48.9 | -173.6 | -164.6 | 0 | 0 | 0 | 0 | 114.2 | S60 F66 L67 D68 | S60-S64 WeakPolarHBondContact O-CB 3.36Å; S60-S64 PolarHBondContact O-N 3.22Å; S64-F66 PolarHBondContact O-N 3.23Å; S64-F66 VanDerWaalsContact O-N 3.1Å; S64-L67 CarbonylContact O-C 3.55Å; S64-L67 WeakPolarHBondContact O-CA 3.38Å; S64-L67 WeakPolarHBondContact O-CB 3.29Å; S64-L67 PolarHBondContact O-N 2.99Å; S64-D68 VanDerWaalsContact C-OD2 3.3Å; S64-D68 PolarHBondContact O-N 3.34Å; S64-D68 PolarHBondContact OG-OD2 3.48Å |
| 65 | P | 92.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -26.5 | -178.5 | -27.2 | 39.4 | 0 | 0 | 0 | 114.6 | F41 L44 D68 | F41-P65 HydrophobicContact CD1-CB 3.8Å; F41-P65 HydrophobicContact CE1-CB 3.69Å; F41-P65 HydrophobicContact CG-CB 4.29Å; F41-P65 HydrophobicContact CZ-CB 4.06Å; F41-P65 WeakPolarHBondContact CZ-O 3.23Å; L44-P65 HydrophobicContact CB-CG 4.07Å; L44-P65 HydrophobicContact CD2-CB 4.29Å; L44-P65 HydrophobicContact CD2-CG 3.78Å; P65-D68 WeakPolarHBondContact CA-OD2 3.5Å |
| 66 | F | 95.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.3 | -37.5 | 172.2 | -61 | -92.7 | 0 | 0 | 0 | 111.5 | V9 E12 L13 V16 F41 L44 F62 V63 S64 V69 I70 A86 V87 F90 | V9-F66 HydrophobicContact CG1-CE2 4.27Å; V9-F66 HydrophobicContact CG1-CZ 4.48Å; E12-F66 HydrophobicContact CB-CE1 4.07Å; E12-F66 HydrophobicContact CB-CZ 4.34Å; L13-F66 HydrophobicContact CB-CZ 3.98Å; V16-F66 HydrophobicContact CG2-CD1 3.93Å; V16-F66 HydrophobicContact CG2-CE1 3.92Å; F41-F66 AromaticContact CE1-CD1 3.86Å; F41-F66 HydrophobicContact CE1-CD1 3.86Å; F41-F66 AromaticContact CE1-CD2 3.93Å; F41-F66 HydrophobicContact CE1-CD2 3.93Å; F41-F66 AromaticContact CE1-CE1 3.81Å; F41-F66 HydrophobicContact CE1-CE1 3.81Å; F41-F66 AromaticContact CE1-CE2 3.89Å; F41-F66 HydrophobicContact CE1-CE2 3.89Å; F41-F66 AromaticContact CE1-CG 3.92Å; F41-F66 HydrophobicContact CE1-CG 3.92Å; F41-F66 AromaticContact CE1-CZ 3.84Å; F41-F66 HydrophobicContact CE1-CZ 3.84Å; F41-F66 HydrophobicContact CZ-CD1 4.01Å; F41-F66 HydrophobicContact CZ-CE1 4.32Å; F41-F66 HydrophobicContact CZ-CG 4.16Å; L44-F66 HydrophobicContact CD2-CE2 4.08Å; F62-F66 WeakPolarHBondContact O-CD2 3.36Å; F62-F66 VanDerWaalsContact O-CE2 3.32Å; F62-F66 WeakPolarHBondContact O-CE2 3.46Å; V63-F66 WeakPolarHBondContact O-CB 3.43Å; V63-F66 PolarHBondContact O-N 3.49Å; S64-F66 PolarHBondContact O-N 3.23Å; S64-F66 VanDerWaalsContact O-N 3.1Å; F66-V69 PolarHBondContact O-N 3.33Å; F66-I70 WeakPolarHBondContact O-CD1 3.44Å; F66-I70 VanDerWaalsContact O-CG1 3.29Å; F66-I70 WeakPolarHBondContact O-CG1 2.79Å; F66-I70 PolarHBondContact O-N 3.43Å; F66-A86 HydrophobicContact CD1-CB 3.52Å; F66-A86 HydrophobicContact CE1-CB 3.54Å; F66-A86 HydrophobicContact CG-CB 4.48Å; F66-V87 HydrophobicContact CB-CG2 4.07Å; F66-F90 HydrophobicContact CD1-CE2 4.48Å; F66-F90 AromaticContact CD2-CE2 3.9Å; F66-F90 HydrophobicContact CD2-CE2 3.9Å; F66-F90 HydrophobicContact CD2-CZ 4.45Å; F66-F90 HydrophobicContact CE1-CE2 4.37Å; F66-F90 HydrophobicContact CE1-CZ 4.18Å; F66-F90 AromaticContact CE2-CE2 3.76Å; F66-F90 HydrophobicContact CE2-CE2 3.76Å; F66-F90 AromaticContact CE2-CZ 3.89Å; F66-F90 HydrophobicContact CE2-CZ 3.89Å; F66-F90 HydrophobicContact CG-CE2 4.26Å; F66-F90 HydrophobicContact CZ-CE2 4.01Å; F66-F90 AromaticContact CZ-CZ 3.73Å; F66-F90 HydrophobicContact CZ-CZ 3.73Å |
| 67 | L | 92.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.7 | -35.6 | 176.3 | -53.3 | -171.8 | 0 | 0 | 0 | 112.2 | V63 S64 V69 I70 R71 V87 Q109 I110 A113 | V63-L67 HydrophobicContact CG1-CD1 3.73Å; V63-L67 HydrophobicContact CG1-CD2 3.76Å; V63-L67 HydrophobicContact CG1-CG 3.62Å; V63-L67 PolarHBondContact O-N 3.47Å; S64-L67 CarbonylContact O-C 3.55Å; S64-L67 WeakPolarHBondContact O-CA 3.38Å; S64-L67 WeakPolarHBondContact O-CB 3.29Å; S64-L67 PolarHBondContact O-N 2.99Å; L67-V69 VanDerWaalsContact C-N 3.25Å; L67-V69 PolarHBondContact O-N 3.13Å; L67-I70 HydrophobicContact CD2-CD1 4.32Å; L67-I70 PolarHBondContact O-N 3.07Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 WeakPolarHBondContact O-CG 3.43Å; L67-R71 PolarHBondContact O-N 3.06Å; L67-V87 HydrophobicContact CD2-CG2 4.1Å; L67-Q109 HydrophobicContact CD1-CB 3.8Å; L67-Q109 WeakPolarHBondContact CD1-O 3.4Å; L67-I110 HydrophobicContact CD1-CG1 4.34Å; L67-I110 HydrophobicContact CD2-CG1 4.14Å; L67-A113 HydrophobicContact CB-CB 3.75Å; L67-A113 HydrophobicContact CD1-CB 4.04Å; L67-A113 HydrophobicContact CD2-CB 3.76Å; L67-A113 HydrophobicContact CG-CB 4.03Å |
| 68 | D | 90.4 | Very high | 87.7 | Confident | 60 Ų | 60 | 33 Ų | 33 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.2 | -36.4 | 176.8 | -61.5 | -38 | 0 | 0 | 0 | 110.9 | F37 S64 P65 S72 | F37-D68 HydrophobicContact CD1-CB 4.27Å; F37-D68 HydrophobicContact CE1-CB 4.28Å; F37-D68 VanDerWaalsContact CE1-O 3.32Å; F37-D68 WeakPolarHBondContact CE1-O 3.25Å; S64-D68 VanDerWaalsContact C-OD2 3.3Å; S64-D68 PolarHBondContact O-N 3.34Å; S64-D68 PolarHBondContact OG-OD2 3.48Å; P65-D68 WeakPolarHBondContact CA-OD2 3.5Å; D68-S72 WeakPolarHBondContact O-CB 3.41Å |
| 69 | V | 90.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 169.5 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | V16 L20 F37 F41 F66 L67 R71 S72 T75 A83 | V16-V69 HydrophobicContact CG1-CG2 4.25Å; L20-V69 HydrophobicContact CD1-CG2 4.09Å; L20-V69 HydrophobicContact CD2-CG2 4.36Å; F37-V69 HydrophobicContact CB-CG2 4.27Å; F37-V69 HydrophobicContact CD1-CG2 4.12Å; F37-V69 HydrophobicContact CG-CG2 4.36Å; F41-V69 HydrophobicContact CE2-CG2 3.75Å; F41-V69 HydrophobicContact CZ-CG2 4.23Å; F66-V69 PolarHBondContact O-N 3.33Å; L67-V69 VanDerWaalsContact C-N 3.25Å; L67-V69 PolarHBondContact O-N 3.13Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 3.21Å; V69-S72 WeakPolarHBondContact O-CB 3.44Å; V69-S72 PolarHBondContact O-N 3.14Å; V69-S72 VanDerWaalsContact O-N 3.12Å; V69-T75 HydrophobicContact CG1-CG2 4.2Å; V69-T75 PolarHBondContact O-OG1 3.41Å; V69-A83 HydrophobicContact CB-CB 4.13Å; V69-A83 HydrophobicContact CG1-CB 3.74Å |
| 70 | I | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.7 | -32.9 | -176.7 | -64.6 | 163.5 | 0 | 0 | 0 | 112.1 | F66 L67 S72 A83 L84 V87 A113 V114 A117 R118 | F66-I70 WeakPolarHBondContact O-CD1 3.44Å; F66-I70 VanDerWaalsContact O-CG1 3.29Å; F66-I70 WeakPolarHBondContact O-CG1 2.79Å; F66-I70 PolarHBondContact O-N 3.43Å; L67-I70 HydrophobicContact CD2-CD1 4.32Å; L67-I70 PolarHBondContact O-N 3.07Å; I70-S72 VanDerWaalsContact C-N 3.29Å; I70-S72 PolarHBondContact O-N 2.98Å; I70-A83 HydrophobicContact CD1-CB 4.17Å; I70-A83 HydrophobicContact CG1-CB 3.8Å; I70-L84 HydrophobicContact CD1-CD2 3.9Å; I70-L84 HydrophobicContact CD1-CG 4.13Å; I70-L84 HydrophobicContact CG1-CD2 4.26Å; I70-L84 HydrophobicContact CG1-CG 4.17Å; I70-L84 HydrophobicContact CG2-CD2 4.15Å; I70-V87 HydrophobicContact CD1-CG2 3.96Å; I70-A113 WeakPolarHBondContact CG2-O 3.4Å; I70-V114 HydrophobicContact CD1-CG2 4.44Å; I70-V114 HydrophobicContact CG2-CG2 4.41Å; I70-A117 HydrophobicContact CG2-CB 3.54Å; I70-A117 WeakPolarHBondContact O-CA 3.3Å; I70-R118 PolarHBondContact O-N 3.43Å; I70-R118 VanDerWaalsContact O-N 3.16Å |
| 71 | R | 89.3 | Confident | 88.4 | Confident | 93 Ų | 93 | 29.6 Ų | 29.6 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -4.4 | 176 | -66.1 | 174.6 | -169.9 | -140.6 | -2.3 | 113.6 | L67 V69 Q109 E112 A113 | L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 WeakPolarHBondContact O-CG 3.43Å; L67-R71 PolarHBondContact O-N 3.06Å; V69-R71 VanDerWaalsContact C-N 3.3Å; V69-R71 PolarHBondContact O-N 3.21Å; R71-Q109 PolarHBondContact NH2-O 3.11Å; R71-E112 IonicContact CZ-OE2 3.88Å; R71-E112 VanDerWaalsContact CZ-OE2 3.24Å; R71-E112 IonicContact NH1-OE1 2.72Å; R71-E112 IonicContact NH1-OE2 2.7Å; R71-E112 PolarHBondContact NH1-OE2 3.01Å; R71-E112 IonicContact NH2-OE2 2.7Å; R71-E112 PolarHBondContact NH2-OE2 2.8Å; R71-A113 HydrophobicContact CG-CB 4.08Å; R71-A113 VanDerWaalsContact NE-CB 3.33Å |
| 72 | S | 86 | Confident | 88.6 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | trans | -95.7 | 108.2 | -167.9 | -177.2 | 0 | 0 | 0 | 0 | 114 | F37 D68 V69 I70 Q74 T75 | F37-S72 WeakPolarHBondContact CZ-OG 3.33Å; D68-S72 WeakPolarHBondContact O-CB 3.41Å; V69-S72 WeakPolarHBondContact O-CB 3.44Å; V69-S72 PolarHBondContact O-N 3.14Å; V69-S72 VanDerWaalsContact O-N 3.12Å; I70-S72 VanDerWaalsContact C-N 3.29Å; I70-S72 PolarHBondContact O-N 2.98Å; S72-Q74 PolarHBondContact O-N 3.31Å; S72-Q74 PolarHBondContact OG-N 3.18Å; S72-T75 PolarHBondContact O-N 3.02Å; S72-T75 PolarHBondContact O-OG1 3.19Å | ||
| 73 | E | 79.9 | Confident | 88.8 | Confident | 96 Ų | 96 | 27.8 Ų | 27.8 | 45% | 0.449 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -20.1 | 169.1 | -65.5 | 177.4 | 170.2 | 0 | 0 | 114.4 | R118 V120 | E73-R118 HydrophobicContact CG-CB 3.89Å; E73-R118 VanDerWaalsContact CG-CD 3.44Å; E73-R118 HydrophobicContact CG-CG 4.32Å; E73-R118 WeakPolarHBondContact OE1-CD 3.43Å; E73-R118 IonicContact OE1-CZ 3.96Å; E73-R118 VanDerWaalsContact OE1-CZ 3.28Å; E73-R118 IonicContact OE1-NE 2.81Å; E73-R118 PolarHBondContact OE1-NE 2.89Å; E73-R118 IonicContact OE1-NH1 3.73Å; E73-R118 PolarHBondContact OE1-NH1 2.98Å; E73-V120 WeakPolarHBondContact O-CG2 3.42Å |
| 74 | Q | 81 | Confident | 88.9 | Confident | 144 Ų | 144 | 27.8 Ų | 27.8 | 67% | 0.673 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -6.7 | -178.6 | -60.3 | -179.6 | 2.6 | 0 | 0 | 113 | S72 | S72-Q74 PolarHBondContact O-N 3.31Å; S72-Q74 PolarHBondContact OG-N 3.18Å |
| 75 | T | 82.7 | Confident | 89.1 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -92.5 | 139.2 | -180 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | L20 V69 S72 T80 F119 V120 | L20-T75 HydrophobicContact CD2-CG2 4.17Å; V69-T75 HydrophobicContact CG1-CG2 4.2Å; V69-T75 PolarHBondContact O-OG1 3.41Å; S72-T75 PolarHBondContact O-N 3.02Å; S72-T75 PolarHBondContact O-OG1 3.19Å; T75-T80 PolarHBondContact OG1-OG1 3.38Å; T75-T80 VanDerWaalsContact OG1-OG1 3.06Å; T75-F119 CarbonylContact O-C 3.55Å; T75-F119 VanDerWaalsContact O-CA 3.29Å; T75-F119 WeakPolarHBondContact O-CA 3.3Å; T75-F119 WeakPolarHBondContact O-CB 3.11Å; T75-V120 PolarHBondContact O-N 3.11Å |
| 76 | C | 84 | Confident | 89.2 | Confident | 15 Ų | 15 | 26.9 Ų | 26.9 | 10% | 0.101 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 156.1 | 175.1 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | N23 A78 A79 T80 T122 | N23-C76 PolarHBondContact OD1-SG 2.88Å; C76-A78 PolarHBondContact O-N 3.38Å; C76-A79 PolarHBondContact O-N 2.77Å; C76-T80 PolarHBondContact O-N 3.48Å; C76-T80 PolarHBondContact O-OG1 3.43Å; C76-T122 HydrophobicContact CB-CG2 4.29Å |
| 77 | G | 84.1 | Confident | 89.2 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -50.3 | -37 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A79 T80 G81 V130 | G77-A79 VanDerWaalsContact C-N 3.32Å; G77-A79 PolarHBondContact O-N 2.95Å; G77-T80 PolarHBondContact O-N 2.93Å; G77-G81 PolarHBondContact O-N 2.71Å; G77-V130 VanDerWaalsContact O-CG2 3.26Å; G77-V130 WeakPolarHBondContact O-CG2 3.44Å |
| 78 | A | 85.5 | Confident | 89.2 | Confident | 54 Ų | 54 | 28.9 Ų | 28.9 | 45% | 0.446 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.7 | -29.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C76 | C76-A78 PolarHBondContact O-N 3.38Å |
| 79 | A | 87.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -81.4 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q19 L20 C76 G77 G81 Q82 A83 | Q19-A79 HydrophobicContact CB-CB 4.21Å; L20-A79 HydrophobicContact CD2-CB 4.14Å; C76-A79 PolarHBondContact O-N 2.77Å; G77-A79 VanDerWaalsContact C-N 3.32Å; G77-A79 PolarHBondContact O-N 2.95Å; A79-G81 PolarHBondContact O-N 3.16Å; A79-Q82 PolarHBondContact O-N 3.49Å; A79-A83 PolarHBondContact O-N 3.14Å |
| 80 | T | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 176.9 | -45.7 | 0 | 0 | 0 | 0 | 111.4 | T75 C76 G77 Q82 A83 L84 F119 V130 | T75-T80 PolarHBondContact OG1-OG1 3.38Å; T75-T80 VanDerWaalsContact OG1-OG1 3.06Å; C76-T80 PolarHBondContact O-N 3.48Å; C76-T80 PolarHBondContact O-OG1 3.43Å; G77-T80 PolarHBondContact O-N 2.93Å; T80-Q82 VanDerWaalsContact C-N 3.34Å; T80-Q82 PolarHBondContact O-N 2.67Å; T80-A83 PolarHBondContact O-N 3.36Å; T80-L84 HydrophobicContact CG2-CD1 4.23Å; T80-L84 WeakPolarHBondContact O-CG 3.49Å; T80-L84 PolarHBondContact O-N 2.69Å; T80-F119 HydrophobicContact CG2-CB 4.26Å; T80-F119 HydrophobicContact CG2-CD1 4.39Å; T80-F119 WeakPolarHBondContact OG1-CB 3.15Å; T80-V130 HydrophobicContact CG2-CG1 4.09Å |
| 81 | G | 90.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G77 A79 L84 I85 | G77-G81 PolarHBondContact O-N 2.71Å; A79-G81 PolarHBondContact O-N 3.16Å; G81-L84 PolarHBondContact O-N 2.66Å; G81-I85 WeakPolarHBondContact O-CD1 3.32Å; G81-I85 VanDerWaalsContact O-CG1 3.28Å; G81-I85 WeakPolarHBondContact O-CG1 3.44Å; G81-I85 PolarHBondContact O-N 2.64Å |
| 82 | Q | 93.2 | Very high | 89.1 | Confident | 38 Ų | 38 | 27.7 Ų | 27.7 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72 | -33.3 | 175.6 | -174.9 | 57.8 | 80 | 0 | 0 | 112.5 | A15 V16 Q19 A79 T80 A86 | A15-Q82 HydrophobicContact CB-CG 4.04Å; V16-Q82 HydrophobicContact CG2-CG 3.98Å; Q19-Q82 HydrophobicContact CG-CB 3.92Å; Q19-Q82 HydrophobicContact CG-CG 3.99Å; A79-Q82 PolarHBondContact O-N 3.49Å; T80-Q82 VanDerWaalsContact C-N 3.34Å; T80-Q82 PolarHBondContact O-N 2.67Å; Q82-A86 PolarHBondContact O-N 3.12Å |
| 83 | A | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70 | -39.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V16 V69 I70 A79 T80 A86 V87 | V16-A83 HydrophobicContact CG1-CB 4.39Å; V16-A83 HydrophobicContact CG2-CB 4.17Å; V69-A83 HydrophobicContact CB-CB 4.13Å; V69-A83 HydrophobicContact CG1-CB 3.74Å; I70-A83 HydrophobicContact CD1-CB 4.17Å; I70-A83 HydrophobicContact CG1-CB 3.8Å; A79-A83 PolarHBondContact O-N 3.14Å; T80-A83 PolarHBondContact O-N 3.36Å; A83-A86 WeakPolarHBondContact O-CB 3.4Å; A83-A86 PolarHBondContact O-N 2.57Å; A83-V87 WeakPolarHBondContact O-CG2 3.32Å; A83-V87 PolarHBondContact O-N 3.35Å; A83-V87 VanDerWaalsContact O-N 3.1Å |
| 84 | L | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 172.9 | -72.3 | 161.6 | 0 | 0 | 0 | 111.8 | I70 T80 G81 A86 V87 E88 V114 V130 R133 I134 V137 | I70-L84 HydrophobicContact CD1-CD2 3.9Å; I70-L84 HydrophobicContact CD1-CG 4.13Å; I70-L84 HydrophobicContact CG1-CD2 4.26Å; I70-L84 HydrophobicContact CG1-CG 4.17Å; I70-L84 HydrophobicContact CG2-CD2 4.15Å; T80-L84 HydrophobicContact CG2-CD1 4.23Å; T80-L84 WeakPolarHBondContact O-CG 3.49Å; T80-L84 PolarHBondContact O-N 2.69Å; G81-L84 PolarHBondContact O-N 2.66Å; L84-A86 VanDerWaalsContact C-N 3.25Å; L84-A86 PolarHBondContact O-N 3.28Å; L84-V87 PolarHBondContact O-N 3.05Å; L84-E88 WeakPolarHBondContact O-CB 3.06Å; L84-E88 PolarHBondContact O-N 3.29Å; L84-V114 HydrophobicContact CD2-CG1 3.97Å; L84-V114 HydrophobicContact CD2-CG2 3.97Å; L84-V130 HydrophobicContact CD1-CG1 3.88Å; L84-R133 HydrophobicContact CB-CB 3.85Å; L84-R133 HydrophobicContact CD1-CB 3.91Å; L84-R133 HydrophobicContact CG-CB 4.49Å; L84-I134 HydrophobicContact CD1-CG1 3.65Å; L84-I134 HydrophobicContact CD2-CG1 4.14Å; L84-V137 HydrophobicContact CB-CG2 4.1Å; L84-V137 HydrophobicContact CD2-CB 4.45Å; L84-V137 HydrophobicContact CD2-CG2 4Å; L84-V137 WeakPolarHBondContact O-CG2 3.27Å |
| 85 | I | 94.4 | Very high | 89.6 | Confident | 35 Ų | 35 | 25 Ų | 25 | 18% | 0.179 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -34.3 | 175 | -72 | 164.4 | 0 | 0 | 0 | 112.1 | G81 K89 R133 | G81-I85 WeakPolarHBondContact O-CD1 3.32Å; G81-I85 VanDerWaalsContact O-CG1 3.28Å; G81-I85 WeakPolarHBondContact O-CG1 3.44Å; G81-I85 PolarHBondContact O-N 2.64Å; I85-K89 HydrophobicContact CG2-CD 4.41Å; I85-K89 WeakPolarHBondContact O-CD 3.12Å; I85-K89 WeakPolarHBondContact O-CG 3.43Å; I85-K89 PolarHBondContact O-N 3.22Å; I85-R133 HydrophobicContact CG1-CG 4.35Å |
| 86 | A | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -49.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E12 F66 Q82 A83 L84 E88 K89 F90 | E12-A86 HydrophobicContact CB-CB 3.58Å; E12-A86 HydrophobicContact CG-CB 4Å; F66-A86 HydrophobicContact CD1-CB 3.52Å; F66-A86 HydrophobicContact CE1-CB 3.54Å; F66-A86 HydrophobicContact CG-CB 4.48Å; Q82-A86 PolarHBondContact O-N 3.12Å; A83-A86 WeakPolarHBondContact O-CB 3.4Å; A83-A86 PolarHBondContact O-N 2.57Å; L84-A86 VanDerWaalsContact C-N 3.25Å; L84-A86 PolarHBondContact O-N 3.28Å; A86-E88 PolarHBondContact O-N 3.29Å; A86-K89 WeakPolarHBondContact O-CB 3.42Å; A86-K89 PolarHBondContact O-N 3.24Å; A86-F90 HydrophobicContact CB-CE2 4.3Å; A86-F90 HydrophobicContact CB-CZ 4.13Å; A86-F90 VanDerWaalsContact O-CD1 3.26Å; A86-F90 WeakPolarHBondContact O-CD1 3.35Å; A86-F90 WeakPolarHBondContact O-CD2 2.78Å; A86-F90 WeakPolarHBondContact O-CG 3.43Å; A86-F90 PolarHBondContact O-N 3.13Å |
| 87 | V | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | F66 L67 I70 A83 L84 K89 F90 V91 I110 V137 | F66-V87 HydrophobicContact CB-CG2 4.07Å; L67-V87 HydrophobicContact CD2-CG2 4.1Å; I70-V87 HydrophobicContact CD1-CG2 3.96Å; A83-V87 WeakPolarHBondContact O-CG2 3.32Å; A83-V87 PolarHBondContact O-N 3.35Å; A83-V87 VanDerWaalsContact O-N 3.1Å; L84-V87 PolarHBondContact O-N 3.05Å; V87-K89 VanDerWaalsContact C-N 3.3Å; V87-K89 PolarHBondContact O-N 3.09Å; V87-F90 PolarHBondContact O-N 2.87Å; V87-V91 HydrophobicContact CG1-CG2 4.36Å; V87-V91 WeakPolarHBondContact O-CG2 3.22Å; V87-V91 PolarHBondContact O-N 3.05Å; V87-I110 HydrophobicContact CG1-CD1 4.49Å; V87-I110 HydrophobicContact CG1-CG1 4.25Å; V87-I110 HydrophobicContact CG1-CG2 3.57Å; V87-V137 HydrophobicContact CB-CG1 4.4Å; V87-V137 HydrophobicContact CG1-CG1 3.73Å |
| 88 | E | 93.5 | Very high | 88.9 | Confident | 43 Ų | 43 | 30.7 Ų | 30.7 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.7 | -46.7 | 174.5 | -167.1 | -169.8 | 173.5 | 0 | 0 | 111 | L84 A86 S92 R133 V137 | L84-E88 WeakPolarHBondContact O-CB 3.06Å; L84-E88 PolarHBondContact O-N 3.29Å; A86-E88 PolarHBondContact O-N 3.29Å; E88-S92 WeakPolarHBondContact O-CB 3.17Å; E88-S92 PolarHBondContact O-N 3.24Å; E88-S92 PolarHBondContact O-OG 3.31Å; E88-R133 IonicContact OE2-NH1 3.82Å; E88-R133 PolarHBondContact OE2-NH1 2.89Å; E88-V137 HydrophobicContact CB-CG2 3.81Å; E88-V137 HydrophobicContact CG-CG2 4.45Å |
| 89 | K | 90.7 | Very high | 88.4 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 24% | 0.239 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 176.3 | -71.6 | 165.4 | 179.8 | 173.2 | 0 | 112.2 | E12 I85 A86 V87 V91 S92 Y93 | E12-K89 VanDerWaalsContact CD-CD 3.49Å; E12-K89 HydrophobicContact CG-CD 4.06Å; E12-K89 IonicContact OE1-NZ 2.92Å; E12-K89 PolarHBondContact OE1-NZ 3.37Å; E12-K89 IonicContact OE2-NZ 3.62Å; E12-K89 PolarHBondContact OE2-NZ 2.58Å; I85-K89 HydrophobicContact CG2-CD 4.41Å; I85-K89 WeakPolarHBondContact O-CD 3.12Å; I85-K89 WeakPolarHBondContact O-CG 3.43Å; I85-K89 PolarHBondContact O-N 3.22Å; A86-K89 WeakPolarHBondContact O-CB 3.42Å; A86-K89 PolarHBondContact O-N 3.24Å; V87-K89 VanDerWaalsContact C-N 3.3Å; V87-K89 PolarHBondContact O-N 3.09Å; K89-V91 VanDerWaalsContact C-N 3.26Å; K89-V91 PolarHBondContact O-N 3.14Å; K89-S92 PolarHBondContact O-N 3.05Å; K89-Y93 HydrophobicContact CB-CD2 4.03Å; K89-Y93 HydrophobicContact CB-CE2 3.73Å; K89-Y93 HydrophobicContact CD-CE2 4.48Å; K89-Y93 HydrophobicContact CG-CE2 3.94Å; K89-Y93 VanDerWaalsContact O-CB 3.29Å; K89-Y93 WeakPolarHBondContact O-CB 3.49Å; K89-Y93 WeakPolarHBondContact O-CD2 3.3Å; K89-Y93 VanDerWaalsContact O-CG 3.23Å; K89-Y93 PolarHBondContact O-N 3.21Å |
| 90 | F | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | -178.7 | -57.1 | -20 | 0 | 0 | 0 | 111.7 | I8 V9 E12 F62 V63 F66 A86 V87 M95 F96 | I8-F90 HydrophobicContact CG2-CD1 4.42Å; I8-F90 HydrophobicContact CG2-CE1 4.24Å; V9-F90 HydrophobicContact CB-CE1 4.43Å; V9-F90 HydrophobicContact CB-CZ 4.4Å; V9-F90 HydrophobicContact CG1-CZ 4.21Å; V9-F90 HydrophobicContact CG2-CE1 3.98Å; V9-F90 HydrophobicContact CG2-CZ 4.16Å; E12-F90 HydrophobicContact CB-CE1 4.25Å; E12-F90 HydrophobicContact CB-CZ 4.13Å; E12-F90 HydrophobicContact CG-CE1 4Å; E12-F90 HydrophobicContact CG-CZ 4.36Å; F62-F90 HydrophobicContact CE2-CD2 4.37Å; V63-F90 HydrophobicContact CG2-CD2 4.25Å; F66-F90 HydrophobicContact CD1-CE2 4.48Å; F66-F90 AromaticContact CD2-CE2 3.9Å; F66-F90 HydrophobicContact CD2-CE2 3.9Å; F66-F90 HydrophobicContact CD2-CZ 4.45Å; F66-F90 HydrophobicContact CE1-CE2 4.37Å; F66-F90 HydrophobicContact CE1-CZ 4.18Å; F66-F90 AromaticContact CE2-CE2 3.76Å; F66-F90 HydrophobicContact CE2-CE2 3.76Å; F66-F90 AromaticContact CE2-CZ 3.89Å; F66-F90 HydrophobicContact CE2-CZ 3.89Å; F66-F90 HydrophobicContact CG-CE2 4.26Å; F66-F90 HydrophobicContact CZ-CE2 4.01Å; F66-F90 AromaticContact CZ-CZ 3.73Å; F66-F90 HydrophobicContact CZ-CZ 3.73Å; A86-F90 HydrophobicContact CB-CE2 4.3Å; A86-F90 HydrophobicContact CB-CZ 4.13Å; A86-F90 VanDerWaalsContact O-CD1 3.26Å; A86-F90 WeakPolarHBondContact O-CD1 3.35Å; A86-F90 WeakPolarHBondContact O-CD2 2.78Å; A86-F90 WeakPolarHBondContact O-CG 3.43Å; A86-F90 PolarHBondContact O-N 3.13Å; V87-F90 PolarHBondContact O-N 2.87Å; F90-M95 HydrophobicContact CB-CE 4.22Å; F90-M95 HydrophobicContact CB-SD 4.33Å; F90-M95 HydrophobicContact CD1-CE 3.43Å; F90-M95 VanDerWaalsContact CD1-CE 3.43Å; F90-M95 HydrophobicContact CD1-SD 3.88Å; F90-M95 HydrophobicContact CE1-CE 4.05Å; F90-M95 HydrophobicContact CG-CE 3.98Å; F90-M95 HydrophobicContact CG-SD 4.49Å; F90-M95 WeakPolarHBondContact O-CB 3.37Å; F90-M95 PolarHBondContact O-N 3.41Å; F90-M95 VanDerWaalsContact O-N 3.11Å; F90-F96 HydrophobicContact CB-CE2 3.91Å; F90-F96 HydrophobicContact CB-CZ 3.99Å |
| 91 | V | 90.1 | Very high | 87 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -53.6 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 111 | V87 K89 Y93 G94 F96 I110 A140 L141 | V87-V91 HydrophobicContact CG1-CG2 4.36Å; V87-V91 WeakPolarHBondContact O-CG2 3.22Å; V87-V91 PolarHBondContact O-N 3.05Å; K89-V91 VanDerWaalsContact C-N 3.26Å; K89-V91 PolarHBondContact O-N 3.14Å; V91-Y93 VanDerWaalsContact C-N 3.32Å; V91-Y93 PolarHBondContact O-N 3.29Å; V91-G94 PolarHBondContact O-N 3.04Å; V91-F96 HydrophobicContact CB-CE2 4.43Å; V91-F96 HydrophobicContact CG2-CD2 4.28Å; V91-F96 HydrophobicContact CG2-CE2 3.74Å; V91-I110 HydrophobicContact CG2-CD1 4.46Å; V91-A140 HydrophobicContact CB-CB 4.46Å; V91-A140 HydrophobicContact CG1-CB 3.82Å; V91-A140 VanDerWaalsContact CG1-O 3.3Å; V91-A140 WeakPolarHBondContact CG1-O 3.45Å; V91-L141 HydrophobicContact CG1-CB 4.44Å; V91-L141 HydrophobicContact CG1-CD1 4.25Å; V91-L141 HydrophobicContact CG2-CD1 3.75Å |
| 92 | S | 88.1 | Confident | 86.5 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.2 | -27.8 | -172.6 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | E88 K89 G94 | E88-S92 WeakPolarHBondContact O-CB 3.17Å; E88-S92 PolarHBondContact O-N 3.24Å; E88-S92 PolarHBondContact O-OG 3.31Å; K89-S92 PolarHBondContact O-N 3.05Å; S92-G94 VanDerWaalsContact C-N 3.28Å |
| 93 | Y | 88 | Confident | 86 | Confident | 127 Ų | 127 | 46.9 Ų | 46.9 | 50% | 0.498 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 4.8 | 175.2 | -58.4 | -23.9 | 0 | 0 | 0 | 113.3 | I8 K89 V91 M95 | I8-Y93 HydrophobicContact CD1-CD2 3.93Å; I8-Y93 HydrophobicContact CD1-CE2 4.13Å; I8-Y93 HydrophobicContact CG2-CD2 4.32Å; I8-Y93 HydrophobicContact CG2-CE2 4.32Å; K89-Y93 HydrophobicContact CB-CD2 4.03Å; K89-Y93 HydrophobicContact CB-CE2 3.73Å; K89-Y93 HydrophobicContact CD-CE2 4.48Å; K89-Y93 HydrophobicContact CG-CE2 3.94Å; K89-Y93 VanDerWaalsContact O-CB 3.29Å; K89-Y93 WeakPolarHBondContact O-CB 3.49Å; K89-Y93 WeakPolarHBondContact O-CD2 3.3Å; K89-Y93 VanDerWaalsContact O-CG 3.23Å; K89-Y93 PolarHBondContact O-N 3.21Å; V91-Y93 VanDerWaalsContact C-N 3.32Å; V91-Y93 PolarHBondContact O-N 3.29Å; Y93-M95 VanDerWaalsContact C-N 3.35Å; Y93-M95 PolarHBondContact O-N 2.9Å |
| 94 | G | 84 | Confident | 85.5 | Confident | 39 Ų | 39 | 48 Ų | 48 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 30.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V91 S92 F96 | V91-G94 PolarHBondContact O-N 3.04Å; S92-G94 VanDerWaalsContact C-N 3.28Å; G94-F96 PolarHBondContact O-N 3.07Å |
| 95 | M | 85 | Confident | 85 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 14% | 0.143 | 27% | 0.271 | C | S | . | . | trans | -70.7 | -12.7 | -178.5 | -65.7 | 165.5 | 46.9 | 0 | 0 | 112.6 | A5 I8 V9 L54 F62 F90 Y93 | A5-M95 HydrophobicContact CB-CE 4.08Å; A5-M95 HydrophobicContact CB-CG 3.92Å; A5-M95 HydrophobicContact CB-SD 4.09Å; I8-M95 HydrophobicContact CG2-SD 4.35Å; V9-M95 HydrophobicContact CG2-CE 3.51Å; L54-M95 HydrophobicContact CD2-CE 3.57Å; F62-M95 HydrophobicContact CE2-CE 4.22Å; F90-M95 HydrophobicContact CB-CE 4.22Å; F90-M95 HydrophobicContact CB-SD 4.33Å; F90-M95 HydrophobicContact CD1-CE 3.43Å; F90-M95 VanDerWaalsContact CD1-CE 3.43Å; F90-M95 HydrophobicContact CD1-SD 3.88Å; F90-M95 HydrophobicContact CE1-CE 4.05Å; F90-M95 HydrophobicContact CG-CE 3.98Å; F90-M95 HydrophobicContact CG-SD 4.49Å; F90-M95 WeakPolarHBondContact O-CB 3.37Å; F90-M95 PolarHBondContact O-N 3.41Å; F90-M95 VanDerWaalsContact O-N 3.11Å; Y93-M95 VanDerWaalsContact C-N 3.35Å; Y93-M95 PolarHBondContact O-N 2.9Å | ||
| 96 | F | 83.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -94.7 | 103.7 | 168.5 | -50 | -73.4 | 0 | 0 | 0 | 110 | P59 F62 V63 F90 V91 G94 P98 A106 V107 I110 S146 | P59-F96 HydrophobicContact CB-CD1 3.75Å; P59-F96 HydrophobicContact CB-CE1 3.8Å; P59-F96 HydrophobicContact CG-CD1 4.45Å; F62-F96 HydrophobicContact CZ-CE1 4.34Å; V63-F96 HydrophobicContact CG2-CE1 3.85Å; V63-F96 HydrophobicContact CG2-CZ 3.8Å; F90-F96 HydrophobicContact CB-CE2 3.91Å; F90-F96 HydrophobicContact CB-CZ 3.99Å; V91-F96 HydrophobicContact CB-CE2 4.43Å; V91-F96 HydrophobicContact CG2-CD2 4.28Å; V91-F96 HydrophobicContact CG2-CE2 3.74Å; G94-F96 PolarHBondContact O-N 3.07Å; F96-P98 WeakPolarHBondContact O-CD 3.33Å; F96-A106 HydrophobicContact CD1-CB 4.44Å; F96-A106 HydrophobicContact CE1-CB 4.34Å; F96-V107 HydrophobicContact CB-CG2 4.37Å; F96-V107 HydrophobicContact CG-CG2 4.36Å; F96-I110 HydrophobicContact CE1-CD1 3.95Å; F96-I110 HydrophobicContact CE2-CD1 3.79Å; F96-I110 HydrophobicContact CZ-CD1 3.41Å; F96-I110 VanDerWaalsContact CZ-CD1 3.41Å; F96-S146 PolarHBondContact O-OG 3.22Å |
| 97 | N | 78 | Confident | 84.4 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | trans | -73.4 | 119.1 | 174 | 178.6 | -7.7 | 0 | 0 | 0 | 110.2 | H99 C100 A103 | N97-H99 PolarHBondContact O-N 2.92Å; N97-H99 PolarHBondContact OD1-CD2 2.96Å; N97-H99 PolarHBondContact OD1-N 2.8Å; N97-C100 HydrophobicContact CB-CB 4.37Å; N97-C100 WeakPolarHBondContact O-CB 3.06Å; N97-C100 PolarHBondContact O-N 3.23Å; N97-A103 WeakPolarHBondContact O-CB 3.49Å | ||
| 98 | P | 74.3 | Confident | 84.1 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20 | -177.8 | -23.6 | 33.6 | 0 | 0 | 0 | 114.9 | F96 P145 | F96-P98 WeakPolarHBondContact O-CD 3.33Å; P98-P145 HydrophobicContact CG-CB 4.07Å; P98-P145 VanDerWaalsContact CG-O 3.29Å; P98-P145 WeakPolarHBondContact CG-O 3.41Å |
| 99 | H | 74.9 | Confident | 83.9 | Confident | 176 Ų | 176 | 52.6 Ų | 52.6 | 82% | 0.815 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3 | 179.3 | -54 | -62.1 | 0 | 0 | 0 | 113.8 | N97 | N97-H99 PolarHBondContact O-N 2.92Å; N97-H99 PolarHBondContact OD1-CD2 2.96Å; N97-H99 PolarHBondContact OD1-N 2.8Å |
| 100 | C | 76.7 | Confident | 84 | Confident | 46 Ų | 46 | 50 Ų | 50 | 31% | 0.311 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -87.4 | 127 | 177.9 | -176 | 0 | 0 | 0 | 0 | 111 | N97 T102 A103 | N97-C100 HydrophobicContact CB-CB 4.37Å; N97-C100 WeakPolarHBondContact O-CB 3.06Å; N97-C100 PolarHBondContact O-N 3.23Å; C100-T102 PolarHBondContact O-N 3.42Å; C100-T102 VanDerWaalsContact O-N 3.13Å; C100-T102 PolarHBondContact SG-OG1 3.17Å; C100-T102 VanDerWaalsContact SG-OG1 3.37Å; C100-A103 HydrophobicContact CB-CB 4.28Å; C100-A103 WeakPolarHBondContact O-CB 3.13Å; C100-A103 PolarHBondContact O-N 2.92Å |
| 101 | F | 72.8 | Confident | 84 | Confident | 193 Ų | 193 | 50 Ų | 50 | 85% | 0.846 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29 | -172.7 | 77 | -82.5 | 0 | 0 | 0 | 114.2 | ||
| 102 | T | 79.8 | Confident | 84.1 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -10.2 | 176 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | A58 P59 C100 S104 S105 A106 | A58-T102 HydrophobicContact CB-CG2 4.38Å; P59-T102 VanDerWaalsContact CD-OG1 3.26Å; P59-T102 WeakPolarHBondContact CD-OG1 3.35Å; C100-T102 PolarHBondContact O-N 3.42Å; C100-T102 VanDerWaalsContact O-N 3.13Å; C100-T102 PolarHBondContact SG-OG1 3.17Å; C100-T102 VanDerWaalsContact SG-OG1 3.37Å; T102-S104 PolarHBondContact O-N 3.47Å; T102-S105 PolarHBondContact O-N 3.49Å; T102-A106 PolarHBondContact O-N 3.4Å |
| 103 | A | 82.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N97 C100 S105 A106 V107 L149 | N97-A103 WeakPolarHBondContact O-CB 3.49Å; C100-A103 HydrophobicContact CB-CB 4.28Å; C100-A103 WeakPolarHBondContact O-CB 3.13Å; C100-A103 PolarHBondContact O-N 2.92Å; A103-S105 VanDerWaalsContact C-N 3.33Å; A103-S105 PolarHBondContact O-N 2.88Å; A103-A106 PolarHBondContact O-N 3.26Å; A103-V107 WeakPolarHBondContact O-CB 3.21Å; A103-V107 VanDerWaalsContact O-CG2 3.28Å; A103-V107 WeakPolarHBondContact O-CG2 3.32Å; A103-V107 PolarHBondContact O-N 2.68Å; A103-L149 HydrophobicContact CB-CD1 3.99Å |
| 104 | S | 82.9 | Confident | 84.6 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | T102 A106 V107 Q108 L149 S351 | T102-S104 PolarHBondContact O-N 3.47Å; S104-A106 PolarHBondContact O-N 2.85Å; S104-V107 PolarHBondContact O-N 3.41Å; S104-Q108 VanDerWaalsContact O-CB 3.25Å; S104-Q108 WeakPolarHBondContact O-CB 3.44Å; S104-Q108 PolarHBondContact O-N 2.78Å; S104-L149 PolarHBondContact OG-O 3.26Å; S104-S351 WeakPolarHBondContact OG-CB 3.43Å |
| 105 | S | 85 | Confident | 84.9 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 43% | 0.427 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -40.4 | 177.6 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | T102 A103 Q109 | T102-S105 PolarHBondContact O-N 3.49Å; A103-S105 VanDerWaalsContact C-N 3.33Å; A103-S105 PolarHBondContact O-N 2.88Å; S105-Q109 VanDerWaalsContact O-CG 3.29Å; S105-Q109 WeakPolarHBondContact O-CG 3.39Å; S105-Q109 PolarHBondContact O-N 2.71Å |
| 106 | A | 87.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P59 F96 T102 A103 S104 Q108 Q109 I110 | P59-A106 HydrophobicContact CB-CB 3.84Å; F96-A106 HydrophobicContact CD1-CB 4.44Å; F96-A106 HydrophobicContact CE1-CB 4.34Å; T102-A106 PolarHBondContact O-N 3.4Å; A103-A106 PolarHBondContact O-N 3.26Å; S104-A106 PolarHBondContact O-N 2.85Å; A106-Q108 VanDerWaalsContact C-N 3.34Å; A106-Q108 PolarHBondContact O-N 3.01Å; A106-Q109 PolarHBondContact O-N 3.44Å; A106-I110 WeakPolarHBondContact O-CD1 3.36Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.43Å; A106-I110 PolarHBondContact O-N 3.23Å |
| 107 | V | 89.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 176 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | F96 A103 S104 I110 A111 L141 L150 | F96-V107 HydrophobicContact CB-CG2 4.37Å; F96-V107 HydrophobicContact CG-CG2 4.36Å; A103-V107 WeakPolarHBondContact O-CB 3.21Å; A103-V107 VanDerWaalsContact O-CG2 3.28Å; A103-V107 WeakPolarHBondContact O-CG2 3.32Å; A103-V107 PolarHBondContact O-N 2.68Å; S104-V107 PolarHBondContact O-N 3.41Å; V107-I110 PolarHBondContact O-N 3.19Å; V107-A111 PolarHBondContact O-N 3.39Å; V107-L141 HydrophobicContact CG1-CD1 4.15Å; V107-L141 HydrophobicContact CG1-CG 4.43Å; V107-L150 HydrophobicContact CG1-CD2 3.6Å; V107-L150 HydrophobicContact CG1-CG 3.75Å |
| 108 | Q | 88.4 | Confident | 85.7 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 25% | 0.248 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 174 | -170.8 | 68.7 | 12 | 0 | 0 | 112 | S104 A106 I110 A111 E112 T154 | S104-Q108 VanDerWaalsContact O-CB 3.25Å; S104-Q108 WeakPolarHBondContact O-CB 3.44Å; S104-Q108 PolarHBondContact O-N 2.78Å; A106-Q108 VanDerWaalsContact C-N 3.34Å; A106-Q108 PolarHBondContact O-N 3.01Å; Q108-I110 PolarHBondContact O-N 3.45Å; Q108-A111 PolarHBondContact O-N 3.49Å; Q108-E112 WeakPolarHBondContact O-CB 3.18Å; Q108-E112 PolarHBondContact O-N 3.23Å; Q108-T154 PolarHBondContact NE2-OG1 3.12Å |
| 109 | Q | 89.5 | Confident | 86.3 | Confident | 61 Ų | 61 | 42 Ų | 42 | 29% | 0.285 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 176.5 | -75.3 | 171 | -5.1 | 0 | 0 | 112.5 | S60 L67 R71 S105 A106 A113 | S60-Q109 VanDerWaalsContact CB-OE1 3.26Å; L67-Q109 HydrophobicContact CD1-CB 3.8Å; L67-Q109 WeakPolarHBondContact CD1-O 3.4Å; R71-Q109 PolarHBondContact NH2-O 3.11Å; S105-Q109 VanDerWaalsContact O-CG 3.29Å; S105-Q109 WeakPolarHBondContact O-CG 3.39Å; S105-Q109 PolarHBondContact O-N 2.71Å; A106-Q109 PolarHBondContact O-N 3.44Å; Q109-A113 WeakPolarHBondContact O-CB 3.46Å; Q109-A113 PolarHBondContact O-N 3.44Å |
| 110 | I | 92.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.6 | -48.3 | 174.2 | -69.7 | 160.6 | 0 | 0 | 0 | 110.3 | V63 L67 V87 V91 F96 A106 V107 Q108 A113 V114 V137 L141 | V63-I110 HydrophobicContact CG1-CD1 4.09Å; V63-I110 HydrophobicContact CG1-CG1 3.69Å; L67-I110 HydrophobicContact CD1-CG1 4.34Å; L67-I110 HydrophobicContact CD2-CG1 4.14Å; V87-I110 HydrophobicContact CG1-CD1 4.49Å; V87-I110 HydrophobicContact CG1-CG1 4.25Å; V87-I110 HydrophobicContact CG1-CG2 3.57Å; V91-I110 HydrophobicContact CG2-CD1 4.46Å; F96-I110 HydrophobicContact CE1-CD1 3.95Å; F96-I110 HydrophobicContact CE2-CD1 3.79Å; F96-I110 HydrophobicContact CZ-CD1 3.41Å; F96-I110 VanDerWaalsContact CZ-CD1 3.41Å; A106-I110 WeakPolarHBondContact O-CD1 3.36Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.43Å; A106-I110 PolarHBondContact O-N 3.23Å; V107-I110 PolarHBondContact O-N 3.19Å; Q108-I110 PolarHBondContact O-N 3.45Å; I110-A113 PolarHBondContact O-N 3.19Å; I110-V114 HydrophobicContact CG2-CG2 4.37Å; I110-V114 WeakPolarHBondContact O-CB 3.25Å; I110-V114 VanDerWaalsContact O-CG2 3.22Å; I110-V114 WeakPolarHBondContact O-CG2 3.43Å; I110-V114 PolarHBondContact O-N 3.1Å; I110-V137 HydrophobicContact CG2-CG1 4.39Å; I110-L141 HydrophobicContact CB-CD1 4.36Å; I110-L141 HydrophobicContact CG2-CD1 3.9Å; I110-L141 HydrophobicContact CG2-CD2 4.04Å |
| 111 | A | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -56.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V107 Q108 A113 V114 T115 L141 L150 T154 I158 | V107-A111 PolarHBondContact O-N 3.39Å; Q108-A111 PolarHBondContact O-N 3.49Å; A111-A113 VanDerWaalsContact C-N 3.29Å; A111-A113 PolarHBondContact O-N 3.37Å; A111-V114 PolarHBondContact O-N 3.28Å; A111-V114 VanDerWaalsContact O-N 3.12Å; A111-T115 WeakPolarHBondContact O-CG2 3.35Å; A111-T115 PolarHBondContact O-N 3.32Å; A111-T115 PolarHBondContact O-OG1 3.48Å; A111-L141 HydrophobicContact CB-CD2 3.73Å; A111-L150 HydrophobicContact CB-CD2 3.85Å; A111-T154 HydrophobicContact CB-CG2 3.35Å; A111-I158 HydrophobicContact CB-CD1 3.93Å; A111-I158 HydrophobicContact CB-CG1 4.32Å |
| 112 | E | 91.1 | Very high | 86.6 | Confident | 89 Ų | 89 | 28.8 Ų | 28.8 | 42% | 0.416 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -54.3 | -42.4 | 177.9 | -178.7 | -165.9 | -147.3 | 0 | 0 | 112.3 | R71 Q108 V114 T115 H116 | R71-E112 IonicContact CZ-OE2 3.88Å; R71-E112 VanDerWaalsContact CZ-OE2 3.24Å; R71-E112 IonicContact NH1-OE1 2.72Å; R71-E112 IonicContact NH1-OE2 2.7Å; R71-E112 PolarHBondContact NH1-OE2 3.01Å; R71-E112 IonicContact NH2-OE2 2.7Å; R71-E112 PolarHBondContact NH2-OE2 2.8Å; Q108-E112 WeakPolarHBondContact O-CB 3.18Å; Q108-E112 PolarHBondContact O-N 3.23Å; E112-V114 PolarHBondContact O-N 3.18Å; E112-T115 PolarHBondContact O-OG1 3.12Å; E112-H116 WeakPolarHBondContact O-CB 3.35Å; E112-H116 PolarHBondContact O-CD2 2.87Å; E112-H116 PolarHBondContact O-N 2.91Å |
| 113 | A | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L67 I70 R71 Q109 I110 A111 H116 A117 | L67-A113 HydrophobicContact CB-CB 3.75Å; L67-A113 HydrophobicContact CD1-CB 4.04Å; L67-A113 HydrophobicContact CD2-CB 3.76Å; L67-A113 HydrophobicContact CG-CB 4.03Å; I70-A113 WeakPolarHBondContact CG2-O 3.4Å; R71-A113 HydrophobicContact CG-CB 4.08Å; R71-A113 VanDerWaalsContact NE-CB 3.33Å; Q109-A113 WeakPolarHBondContact O-CB 3.46Å; Q109-A113 PolarHBondContact O-N 3.44Å; I110-A113 PolarHBondContact O-N 3.19Å; A111-A113 VanDerWaalsContact C-N 3.29Å; A111-A113 PolarHBondContact O-N 3.37Å; A113-H116 CarbonylContact O-C 3.15Å; A113-A117 WeakPolarHBondContact O-CA 3.3Å; A113-A117 PolarHBondContact O-N 3.39Å; A113-A117 VanDerWaalsContact O-N 3.15Å |
| 114 | V | 94 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -88.6 | -31 | -172.6 | 178 | 0 | 0 | 0 | 0 | 111.5 | I70 L84 I110 A111 E112 H116 I134 V137 L138 | I70-V114 HydrophobicContact CD1-CG2 4.44Å; I70-V114 HydrophobicContact CG2-CG2 4.41Å; L84-V114 HydrophobicContact CD2-CG1 3.97Å; L84-V114 HydrophobicContact CD2-CG2 3.97Å; I110-V114 HydrophobicContact CG2-CG2 4.37Å; I110-V114 WeakPolarHBondContact O-CB 3.25Å; I110-V114 VanDerWaalsContact O-CG2 3.22Å; I110-V114 WeakPolarHBondContact O-CG2 3.43Å; I110-V114 PolarHBondContact O-N 3.1Å; A111-V114 PolarHBondContact O-N 3.28Å; A111-V114 VanDerWaalsContact O-N 3.12Å; E112-V114 PolarHBondContact O-N 3.18Å; V114-H116 VanDerWaalsContact C-N 3.33Å; V114-I134 HydrophobicContact CG1-CB 4.43Å; V114-I134 HydrophobicContact CG1-CG2 3.96Å; V114-V137 HydrophobicContact CB-CG1 4.48Å; V114-V137 HydrophobicContact CG1-CB 4.14Å; V114-V137 HydrophobicContact CG1-CG1 4.1Å; V114-V137 HydrophobicContact CG2-CG1 3.84Å; V114-L138 HydrophobicContact CB-CD2 3.9Å; V114-L138 HydrophobicContact CG1-CD1 4.49Å; V114-L138 HydrophobicContact CG1-CD2 3.55Å; V114-L138 HydrophobicContact CG1-CG 3.7Å |
| 115 | T | 90.2 | Very high | 86.7 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.2 | -31.7 | 170.7 | 54 | 0 | 0 | 0 | 0 | 112.5 | A111 E112 L138 I158 | A111-T115 WeakPolarHBondContact O-CG2 3.35Å; A111-T115 PolarHBondContact O-N 3.32Å; A111-T115 PolarHBondContact O-OG1 3.48Å; E112-T115 PolarHBondContact O-OG1 3.12Å; T115-L138 HydrophobicContact CG2-CD1 4.44Å; T115-L138 HydrophobicContact CG2-CD2 4.09Å; T115-I158 HydrophobicContact CG2-CB 4.44Å; T115-I158 HydrophobicContact CG2-CG1 3.87Å |
| 116 | H | 89.2 | Confident | 86.7 | Confident | 93 Ų | 93 | 40.4 Ų | 40.4 | 43% | 0.431 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 26.2 | 176.4 | -61.3 | -69.3 | 0 | 0 | 0 | 113.5 | E112 A113 V114 R118 | E112-H116 WeakPolarHBondContact O-CB 3.35Å; E112-H116 PolarHBondContact O-CD2 2.87Å; E112-H116 PolarHBondContact O-N 2.91Å; A113-H116 CarbonylContact O-C 3.15Å; V114-H116 VanDerWaalsContact C-N 3.33Å; H116-R118 PolarHBondContact O-N 3.5Å |
| 117 | A | 90.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | trans | -60.6 | 136.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I70 A113 I134 V280 | I70-A117 HydrophobicContact CG2-CB 3.54Å; I70-A117 WeakPolarHBondContact O-CA 3.3Å; A113-A117 WeakPolarHBondContact O-CA 3.3Å; A113-A117 PolarHBondContact O-N 3.39Å; A113-A117 VanDerWaalsContact O-N 3.15Å; A117-I134 HydrophobicContact CB-CD1 3.71Å; A117-I134 HydrophobicContact CB-CG1 4.18Å; A117-V280 WeakPolarHBondContact O-CG2 3.33Å | ||
| 118 | R | 85.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | trans | -134.1 | 149.6 | 176 | -65.2 | -171.4 | -176.5 | -145.7 | 1.9 | 110 | I70 E73 H116 D279 H281 | I70-R118 PolarHBondContact O-N 3.43Å; I70-R118 VanDerWaalsContact O-N 3.16Å; E73-R118 HydrophobicContact CG-CB 3.89Å; E73-R118 VanDerWaalsContact CG-CD 3.44Å; E73-R118 HydrophobicContact CG-CG 4.32Å; E73-R118 WeakPolarHBondContact OE1-CD 3.43Å; E73-R118 IonicContact OE1-CZ 3.96Å; E73-R118 VanDerWaalsContact OE1-CZ 3.28Å; E73-R118 IonicContact OE1-NE 2.81Å; E73-R118 PolarHBondContact OE1-NE 2.89Å; E73-R118 IonicContact OE1-NH1 3.73Å; E73-R118 PolarHBondContact OE1-NH1 2.98Å; H116-R118 PolarHBondContact O-N 3.5Å; R118-D279 IonicContact CZ-OD1 2.75Å; R118-D279 IonicContact NE-OD1 3.18Å; R118-D279 IonicContact NH1-OD1 3.74Å; R118-D279 PolarHBondContact NH1-OD1 3.28Å; R118-D279 IonicContact NH1-OD2 2.93Å; R118-D279 IonicContact NH2-OD1 2.75Å; R118-H281 PolarHBondContact NH2-CD2 3.19Å; R118-H281 PolarHBondContact NH2-CE1 2.91Å; R118-H281 VanDerWaalsContact NH2-CE1 3.29Å; R118-H281 VanDerWaalsContact NH2-CG 3.31Å; R118-H281 PolarHBondContact NH2-ND1 3.04Å; R118-H281 PolarHBondContact NH2-NE2 2.91Å | ||
| 119 | F | 86.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 156.7 | 176.6 | 58 | -84.6 | 0 | 0 | 0 | 111.5 | T75 T80 G121 D127 V130 M278 | T75-F119 CarbonylContact O-C 3.55Å; T75-F119 VanDerWaalsContact O-CA 3.29Å; T75-F119 WeakPolarHBondContact O-CA 3.3Å; T75-F119 WeakPolarHBondContact O-CB 3.11Å; T80-F119 HydrophobicContact CG2-CB 4.26Å; T80-F119 HydrophobicContact CG2-CD1 4.39Å; T80-F119 WeakPolarHBondContact OG1-CB 3.15Å; F119-G121 PolarHBondContact O-N 2.96Å; F119-D127 HydrophobicContact CE2-CB 3.74Å; F119-D127 HydrophobicContact CZ-CB 4.18Å; F119-V130 HydrophobicContact CD1-CG1 3.79Å; F119-V130 HydrophobicContact CE1-CB 3.97Å; F119-V130 HydrophobicContact CE1-CG1 3.54Å; F119-V130 HydrophobicContact CE2-CB 4.26Å; F119-V130 HydrophobicContact CE2-CG1 4.5Å; F119-V130 HydrophobicContact CE2-CG2 4.38Å; F119-V130 HydrophobicContact CG-CG1 4.39Å; F119-V130 HydrophobicContact CZ-CB 3.81Å; F119-V130 HydrophobicContact CZ-CG1 3.93Å; F119-V130 HydrophobicContact CZ-CG2 4.41Å; F119-M278 HydrophobicContact CD2-CB 4.49Å; F119-M278 HydrophobicContact CE2-CB 4.07Å; F119-M278 HydrophobicContact CE2-SD 4.43Å; F119-M278 HydrophobicContact CZ-CB 4.25Å; F119-M278 HydrophobicContact CZ-SD 4.44Å; F119-M278 PolarHBondContact O-N 3.42Å; F119-M278 VanDerWaalsContact O-N 3.1Å |
| 120 | V | 79.9 | Confident | 86.9 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.6 | 169.7 | -172 | 0 | 0 | 0 | 0 | 108.2 | E73 T75 | E73-V120 WeakPolarHBondContact O-CG2 3.42Å; T75-V120 PolarHBondContact O-N 3.11Å |
| 121 | G | 75 | Confident | 86.9 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | trans | -67.8 | 142.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F119 D127 A276 | F119-G121 PolarHBondContact O-N 2.96Å; G121-D127 VanDerWaalsContact CA-OD2 3.24Å; G121-D127 WeakPolarHBondContact CA-OD2 3.4Å; G121-A276 PolarHBondContact N-O 2.81Å | ||
| 122 | T | 74.9 | Confident | 86.9 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 53% | 0.534 | 25% | 0.249 | S | C | . | . | trans | -136.8 | -43.7 | -171.9 | 44.6 | 0 | 0 | 0 | 0 | 113.7 | C76 D127 | C76-T122 HydrophobicContact CB-CG2 4.29Å; T122-D127 PolarHBondContact N-OD1 3.08Å; T122-D127 VanDerWaalsContact N-OD1 3.11Å; T122-D127 PolarHBondContact N-OD2 2.97Å; T122-D127 PolarHBondContact OG1-OD1 3.23Å | ||
| 123 | D | 81.3 | Confident | 87 | Confident | 74 Ų | 74 | 43.3 Ų | 43.3 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | trans | -149.9 | 133.2 | 165.8 | 179.1 | 87.3 | 0 | 0 | 0 | 107.4 | S125 D126 D127 | D123-S125 PolarHBondContact O-N 3.34Å; D123-S125 WeakPolarHBondContact OD2-CA 3.29Å; D123-S125 WeakPolarHBondContact OD2-CB 3.43Å; D123-S125 PolarHBondContact OD2-N 3.36Å; D123-S125 PolarHBondContact OD2-OG 2.71Å; D123-D126 HydrophobicContact CB-CB 4.5Å; D123-D126 PolarHBondContact O-N 3.37Å; D123-D127 PolarHBondContact N-OD2 3.17Å; D123-D127 WeakPolarHBondContact O-CB 3.3Å; D123-D127 PolarHBondContact O-N 3.35Å | ||
| 124 | P | 82.2 | Confident | 87.1 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -53.1 | -28.2 | -177.4 | -28.6 | 35.8 | 0 | 0 | 0 | 114.5 | E128 | P124-E128 WeakPolarHBondContact O-CB 3.19Å; P124-E128 WeakPolarHBondContact O-CG 3.29Å; P124-E128 PolarHBondContact O-N 2.86Å |
| 125 | S | 84.4 | Confident | 87.1 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 57% | 0.573 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -73.5 | -46.2 | 178.3 | -29.6 | 0 | 0 | 0 | 0 | 112.1 | D123 D127 V129 | D123-S125 PolarHBondContact O-N 3.34Å; D123-S125 WeakPolarHBondContact OD2-CA 3.29Å; D123-S125 WeakPolarHBondContact OD2-CB 3.43Å; D123-S125 PolarHBondContact OD2-N 3.36Å; D123-S125 PolarHBondContact OD2-OG 2.71Å; S125-D127 VanDerWaalsContact C-N 3.34Å; S125-V129 WeakPolarHBondContact O-CG2 3.05Å; S125-V129 PolarHBondContact O-N 2.67Å |
| 126 | D | 84 | Confident | 87.3 | Confident | 99 Ų | 99 | 46 Ų | 46 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 176 | -87.8 | -12.2 | 0 | 0 | 0 | 110.5 | D123 V129 V130 | D123-D126 HydrophobicContact CB-CB 4.5Å; D123-D126 PolarHBondContact O-N 3.37Å; D126-V129 WeakPolarHBondContact O-CB 3Å; D126-V129 PolarHBondContact O-N 3.15Å; D126-V129 VanDerWaalsContact O-N 3.12Å; D126-V130 PolarHBondContact O-N 2.63Å; D126-V130 VanDerWaalsContact O-N 3.11Å |
| 127 | D | 87.2 | Confident | 87.5 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 177.8 | -60 | -21.9 | 0 | 0 | 0 | 111.2 | F119 G121 T122 D123 S125 V129 V130 L131 M278 | F119-D127 HydrophobicContact CE2-CB 3.74Å; F119-D127 HydrophobicContact CZ-CB 4.18Å; G121-D127 VanDerWaalsContact CA-OD2 3.24Å; G121-D127 WeakPolarHBondContact CA-OD2 3.4Å; T122-D127 PolarHBondContact N-OD1 3.08Å; T122-D127 VanDerWaalsContact N-OD1 3.11Å; T122-D127 PolarHBondContact N-OD2 2.97Å; T122-D127 PolarHBondContact OG1-OD1 3.23Å; D123-D127 PolarHBondContact N-OD2 3.17Å; D123-D127 WeakPolarHBondContact O-CB 3.3Å; D123-D127 PolarHBondContact O-N 3.35Å; S125-D127 VanDerWaalsContact C-N 3.34Å; D127-V129 VanDerWaalsContact C-N 3.32Å; D127-V129 PolarHBondContact O-N 3.36Å; D127-V130 WeakPolarHBondContact O-CB 3.3Å; D127-V130 PolarHBondContact O-N 2.87Å; D127-V130 VanDerWaalsContact O-N 3.16Å; D127-L131 PolarHBondContact O-N 2.93Å; D127-L131 VanDerWaalsContact O-N 3.07Å; D127-M278 HydrophobicContact CB-SD 3.54Å; D127-M278 VanDerWaalsContact CB-SD 3.54Å |
| 128 | E | 90.8 | Very high | 87.7 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -33.5 | 168.8 | -84.6 | -157.8 | -165.7 | 0 | 0 | 113.2 | P124 V130 L131 L132 L171 S172 L175 | P124-E128 WeakPolarHBondContact O-CB 3.19Å; P124-E128 WeakPolarHBondContact O-CG 3.29Å; P124-E128 PolarHBondContact O-N 2.86Å; E128-V130 VanDerWaalsContact C-N 3.3Å; E128-V130 PolarHBondContact O-N 2.78Å; E128-L131 PolarHBondContact O-N 3.08Å; E128-L132 WeakPolarHBondContact O-CB 3.49Å; E128-L132 PolarHBondContact O-N 3.18Å; E128-L171 HydrophobicContact CG-CD2 4.19Å; E128-S172 WeakPolarHBondContact OE1-CB 3.33Å; E128-S172 PolarHBondContact OE1-N 2.81Å; E128-S172 WeakPolarHBondContact OE2-CB 3.41Å; E128-S172 PolarHBondContact OE2-OG 3.49Å; E128-L175 HydrophobicContact CB-CD2 4.01Å; E128-L175 HydrophobicContact CG-CD2 3.64Å |
| 129 | V | 89.7 | Confident | 88.2 | Confident | 75 Ų | 75 | 44 Ų | 44 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.1 | -35.3 | 173.5 | 171 | 0 | 0 | 0 | 0 | 110.8 | S125 D126 D127 L132 R133 | S125-V129 WeakPolarHBondContact O-CG2 3.05Å; S125-V129 PolarHBondContact O-N 2.67Å; D126-V129 WeakPolarHBondContact O-CB 3Å; D126-V129 PolarHBondContact O-N 3.15Å; D126-V129 VanDerWaalsContact O-N 3.12Å; D127-V129 VanDerWaalsContact C-N 3.32Å; D127-V129 PolarHBondContact O-N 3.36Å; V129-L132 PolarHBondContact O-N 3.24Å; V129-R133 WeakPolarHBondContact O-CG 3.11Å; V129-R133 PolarHBondContact O-N 3.08Å |
| 130 | V | 91.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | 173.2 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | G77 T80 L84 F119 D126 D127 E128 L132 R133 I134 | G77-V130 VanDerWaalsContact O-CG2 3.26Å; G77-V130 WeakPolarHBondContact O-CG2 3.44Å; T80-V130 HydrophobicContact CG2-CG1 4.09Å; L84-V130 HydrophobicContact CD1-CG1 3.88Å; F119-V130 HydrophobicContact CD1-CG1 3.79Å; F119-V130 HydrophobicContact CE1-CB 3.97Å; F119-V130 HydrophobicContact CE1-CG1 3.54Å; F119-V130 HydrophobicContact CE2-CB 4.26Å; F119-V130 HydrophobicContact CE2-CG1 4.5Å; F119-V130 HydrophobicContact CE2-CG2 4.38Å; F119-V130 HydrophobicContact CG-CG1 4.39Å; F119-V130 HydrophobicContact CZ-CB 3.81Å; F119-V130 HydrophobicContact CZ-CG1 3.93Å; F119-V130 HydrophobicContact CZ-CG2 4.41Å; D126-V130 PolarHBondContact O-N 2.63Å; D126-V130 VanDerWaalsContact O-N 3.11Å; D127-V130 WeakPolarHBondContact O-CB 3.3Å; D127-V130 PolarHBondContact O-N 2.87Å; D127-V130 VanDerWaalsContact O-N 3.16Å; E128-V130 VanDerWaalsContact C-N 3.3Å; E128-V130 PolarHBondContact O-N 2.78Å; V130-L132 VanDerWaalsContact C-N 3.27Å; V130-L132 PolarHBondContact O-N 3.41Å; V130-R133 WeakPolarHBondContact O-CA 3.24Å; V130-R133 WeakPolarHBondContact O-CB 3.22Å; V130-R133 PolarHBondContact O-N 3.33Å; V130-I134 HydrophobicContact CG1-CD1 4.42Å; V130-I134 PolarHBondContact O-N 3.41Å |
| 131 | L | 92.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -38.7 | 173.9 | -66.4 | 175 | 0 | 0 | 0 | 111.7 | D127 E128 R133 I134 L135 I165 L171 L175 M278 | D127-L131 PolarHBondContact O-N 2.93Å; D127-L131 VanDerWaalsContact O-N 3.07Å; E128-L131 PolarHBondContact O-N 3.08Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 2.67Å; L131-I134 HydrophobicContact CD2-CD1 4.28Å; L131-I134 WeakPolarHBondContact O-CB 3.47Å; L131-I134 PolarHBondContact O-N 3.16Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 2.96Å; L131-I165 HydrophobicContact CD2-CD1 4.47Å; L131-L171 HydrophobicContact CD1-CD1 4.01Å; L131-L171 HydrophobicContact CD1-CD2 3.8Å; L131-L175 HydrophobicContact CB-CD1 4.28Å; L131-L175 HydrophobicContact CB-CD2 3.73Å; L131-L175 HydrophobicContact CD1-CD2 3.81Å; L131-L175 HydrophobicContact CG-CD2 4.44Å; L131-M278 HydrophobicContact CD1-CE 4.42Å |
| 132 | L | 93 | Very high | 89.8 | Confident | 57 Ų | 57 | 42.5 Ų | 42.5 | 30% | 0.298 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.6 | -34.9 | 173.3 | -173.9 | 61.2 | 0 | 0 | 0 | 112.6 | E128 V129 V130 L135 Q136 L175 A178 | E128-L132 WeakPolarHBondContact O-CB 3.49Å; E128-L132 PolarHBondContact O-N 3.18Å; V129-L132 PolarHBondContact O-N 3.24Å; V130-L132 VanDerWaalsContact C-N 3.27Å; V130-L132 PolarHBondContact O-N 3.41Å; L132-L135 HydrophobicContact CD1-CD1 4.41Å; L132-Q136 VanDerWaalsContact O-CG 3.29Å; L132-Q136 WeakPolarHBondContact O-CG 3.45Å; L132-Q136 PolarHBondContact O-N 3.26Å; L132-L175 HydrophobicContact CB-CD1 4.04Å; L132-L175 HydrophobicContact CD1-CD1 4.28Å; L132-A178 HydrophobicContact CD1-CB 3.75Å |
| 133 | R | 92.4 | Very high | 90.6 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.3 | -36.8 | 172.9 | -64.7 | -41.4 | -174.1 | 152 | 1.3 | 112.8 | L84 I85 E88 V129 V130 L131 Q136 V137 | L84-R133 HydrophobicContact CB-CB 3.85Å; L84-R133 HydrophobicContact CD1-CB 3.91Å; L84-R133 HydrophobicContact CG-CB 4.49Å; I85-R133 HydrophobicContact CG1-CG 4.35Å; E88-R133 IonicContact OE2-NH1 3.82Å; E88-R133 PolarHBondContact OE2-NH1 2.89Å; V129-R133 WeakPolarHBondContact O-CG 3.11Å; V129-R133 PolarHBondContact O-N 3.08Å; V130-R133 WeakPolarHBondContact O-CA 3.24Å; V130-R133 WeakPolarHBondContact O-CB 3.22Å; V130-R133 PolarHBondContact O-N 3.33Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 2.67Å; R133-Q136 PolarHBondContact O-N 3.45Å; R133-V137 WeakPolarHBondContact O-CG2 3.45Å; R133-V137 PolarHBondContact O-N 3.32Å |
| 134 | I | 94.3 | Very high | 91 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -51.8 | 171.4 | -69.8 | 167.5 | 0 | 0 | 0 | 109.5 | L84 V114 A117 V130 L131 Q136 V137 L138 | L84-I134 HydrophobicContact CD1-CG1 3.65Å; L84-I134 HydrophobicContact CD2-CG1 4.14Å; V114-I134 HydrophobicContact CG1-CB 4.43Å; V114-I134 HydrophobicContact CG1-CG2 3.96Å; A117-I134 HydrophobicContact CB-CD1 3.71Å; A117-I134 HydrophobicContact CB-CG1 4.18Å; V130-I134 HydrophobicContact CG1-CD1 4.42Å; V130-I134 PolarHBondContact O-N 3.41Å; L131-I134 HydrophobicContact CD2-CD1 4.28Å; L131-I134 WeakPolarHBondContact O-CB 3.47Å; L131-I134 PolarHBondContact O-N 3.16Å; I134-Q136 VanDerWaalsContact C-N 3.32Å; I134-Q136 PolarHBondContact O-N 2.83Å; I134-V137 PolarHBondContact O-N 3.15Å; I134-L138 HydrophobicContact CG2-CD1 3.98Å; I134-L138 HydrophobicContact CG2-CG 4.37Å; I134-L138 WeakPolarHBondContact O-CB 3.32Å; I134-L138 VanDerWaalsContact O-CG 3.31Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 3.01Å |
| 135 | L | 93.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.4 | -43.9 | 175.6 | -68.8 | 172.6 | 0 | 0 | 0 | 112.8 | L131 L132 R139 C162 I165 L175 A179 | L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 2.96Å; L132-L135 HydrophobicContact CD1-CD1 4.41Å; L135-R139 WeakPolarHBondContact O-CB 3.46Å; L135-R139 PolarHBondContact O-N 2.6Å; L135-C162 HydrophobicContact CD2-CB 4.18Å; L135-I165 HydrophobicContact CD1-CG2 4.26Å; L135-I165 HydrophobicContact CD2-CD1 3.78Å; L135-I165 HydrophobicContact CG-CD1 3.96Å; L135-L175 HydrophobicContact CD1-CD1 3.64Å; L135-A179 HydrophobicContact CD1-CB 3.76Å; L135-A179 HydrophobicContact CD2-CB 3.88Å; L135-A179 HydrophobicContact CG-CB 4.49Å |
| 136 | Q | 94.6 | Very high | 91.1 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 27% | 0.271 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.9 | -44 | -179.6 | -76.2 | 168.9 | -6.6 | 0 | 0 | 112.6 | L132 R133 I134 R139 A140 | L132-Q136 VanDerWaalsContact O-CG 3.29Å; L132-Q136 WeakPolarHBondContact O-CG 3.45Å; L132-Q136 PolarHBondContact O-N 3.26Å; R133-Q136 PolarHBondContact O-N 3.45Å; I134-Q136 VanDerWaalsContact C-N 3.32Å; I134-Q136 PolarHBondContact O-N 2.83Å; Q136-R139 PolarHBondContact O-N 3.34Å; Q136-A140 VanDerWaalsContact O-CB 3.31Å; Q136-A140 WeakPolarHBondContact O-CB 3.4Å; Q136-A140 PolarHBondContact O-N 3.04Å |
| 137 | V | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L84 V87 E88 I110 V114 R133 I134 R139 A140 L141 | L84-V137 HydrophobicContact CB-CG2 4.1Å; L84-V137 HydrophobicContact CD2-CB 4.45Å; L84-V137 HydrophobicContact CD2-CG2 4Å; L84-V137 WeakPolarHBondContact O-CG2 3.27Å; V87-V137 HydrophobicContact CB-CG1 4.4Å; V87-V137 HydrophobicContact CG1-CG1 3.73Å; E88-V137 HydrophobicContact CB-CG2 3.81Å; E88-V137 HydrophobicContact CG-CG2 4.45Å; I110-V137 HydrophobicContact CG2-CG1 4.39Å; V114-V137 HydrophobicContact CB-CG1 4.48Å; V114-V137 HydrophobicContact CG1-CB 4.14Å; V114-V137 HydrophobicContact CG1-CG1 4.1Å; V114-V137 HydrophobicContact CG2-CG1 3.84Å; R133-V137 WeakPolarHBondContact O-CG2 3.45Å; R133-V137 PolarHBondContact O-N 3.32Å; I134-V137 PolarHBondContact O-N 3.15Å; V137-R139 VanDerWaalsContact C-N 3.35Å; V137-R139 PolarHBondContact O-N 3.19Å; V137-A140 PolarHBondContact O-N 3.11Å; V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 PolarHBondContact O-N 3.26Å |
| 138 | L | 94.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 178.2 | -69.4 | -174.6 | 0 | 0 | 0 | 112.1 | V114 T115 I134 L141 L142 I158 M186 | V114-L138 HydrophobicContact CB-CD2 3.9Å; V114-L138 HydrophobicContact CG1-CD1 4.49Å; V114-L138 HydrophobicContact CG1-CD2 3.55Å; V114-L138 HydrophobicContact CG1-CG 3.7Å; T115-L138 HydrophobicContact CG2-CD1 4.44Å; T115-L138 HydrophobicContact CG2-CD2 4.09Å; I134-L138 HydrophobicContact CG2-CD1 3.98Å; I134-L138 HydrophobicContact CG2-CG 4.37Å; I134-L138 WeakPolarHBondContact O-CB 3.32Å; I134-L138 VanDerWaalsContact O-CG 3.31Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 3.01Å; L138-L141 PolarHBondContact O-N 3.06Å; L138-L142 PolarHBondContact O-N 2.84Å; L138-I158 HydrophobicContact CB-CG2 4.07Å; L138-I158 HydrophobicContact CD1-CG2 4.38Å; L138-I158 HydrophobicContact CD2-CG1 4.08Å; L138-I158 HydrophobicContact CD2-CG2 4.28Å; L138-I158 HydrophobicContact CG-CG2 4.46Å; L138-M186 VanDerWaalsContact C-CE 3.48Å; L138-M186 HydrophobicContact CB-CE 3.86Å; L138-M186 WeakPolarHBondContact O-CE 3.28Å |
| 139 | R | 94.5 | Very high | 90.8 | Very high | 100 Ų | 100 | 31.7 Ų | 31.7 | 38% | 0.377 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60 | -51.1 | 173.9 | -171.3 | 179.1 | 169.7 | -80.9 | -2.9 | 111.5 | L135 Q136 V137 L141 L142 L143 D185 | L135-R139 WeakPolarHBondContact O-CB 3.46Å; L135-R139 PolarHBondContact O-N 2.6Å; Q136-R139 PolarHBondContact O-N 3.34Å; V137-R139 VanDerWaalsContact C-N 3.35Å; V137-R139 PolarHBondContact O-N 3.19Å; R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 3.21Å; R139-L142 PolarHBondContact O-N 2.91Å; R139-L143 HydrophobicContact CG-CD1 4.42Å; R139-L143 HydrophobicContact CG-CD2 4.22Å; R139-L143 WeakPolarHBondContact O-CB 3.45Å; R139-L143 WeakPolarHBondContact O-CD1 3.22Å; R139-L143 PolarHBondContact O-N 3.34Å; R139-L143 VanDerWaalsContact O-N 3.09Å; R139-D185 IonicContact CZ-OD2 2.69Å; R139-D185 IonicContact NE-OD2 3.85Å; R139-D185 PolarHBondContact NE-OD2 3.17Å; R139-D185 IonicContact NH2-OD2 3.42Å; R139-D185 PolarHBondContact NH2-OD2 3.43Å |
| 140 | A | 92.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 12% | 0.116 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.2 | -39.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V91 Q136 V137 S144 | V91-A140 HydrophobicContact CB-CB 4.46Å; V91-A140 HydrophobicContact CG1-CB 3.82Å; V91-A140 VanDerWaalsContact CG1-O 3.3Å; V91-A140 WeakPolarHBondContact CG1-O 3.45Å; Q136-A140 VanDerWaalsContact O-CB 3.31Å; Q136-A140 WeakPolarHBondContact O-CB 3.4Å; Q136-A140 PolarHBondContact O-N 3.04Å; V137-A140 PolarHBondContact O-N 3.11Å; A140-S144 VanDerWaalsContact O-CB 3.27Å; A140-S144 WeakPolarHBondContact O-CB 3.4Å; A140-S144 PolarHBondContact O-N 3.37Å |
| 141 | L | 92.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.4 | -51.2 | -177.6 | -165.2 | 70.7 | 0 | 0 | 0 | 111.8 | V91 V107 I110 A111 V137 L138 R139 S144 G147 L150 I158 | V91-L141 HydrophobicContact CG1-CB 4.44Å; V91-L141 HydrophobicContact CG1-CD1 4.25Å; V91-L141 HydrophobicContact CG2-CD1 3.75Å; V107-L141 HydrophobicContact CG1-CD1 4.15Å; V107-L141 HydrophobicContact CG1-CG 4.43Å; I110-L141 HydrophobicContact CB-CD1 4.36Å; I110-L141 HydrophobicContact CG2-CD1 3.9Å; I110-L141 HydrophobicContact CG2-CD2 4.04Å; A111-L141 HydrophobicContact CB-CD2 3.73Å; V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 PolarHBondContact O-N 3.26Å; L138-L141 PolarHBondContact O-N 3.06Å; R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 3.21Å; L141-S144 WeakPolarHBondContact O-CB 3.32Å; L141-S144 PolarHBondContact O-N 3.4Å; L141-S144 PolarHBondContact O-OG 3.24Å; L141-G147 WeakPolarHBondContact O-CA 3.37Å; L141-L150 HydrophobicContact CD2-CD1 4.33Å; L141-L150 HydrophobicContact CD2-CD2 4.28Å; L141-L150 HydrophobicContact CG-CD1 4.37Å; L141-I158 HydrophobicContact CD2-CD1 4.29Å |
| 142 | L | 90.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.2 | -33.8 | -178.4 | -164.3 | 70 | 0 | 0 | 0 | 112.8 | L138 R139 S144 L150 V155 M186 I190 | L138-L142 PolarHBondContact O-N 2.84Å; R139-L142 PolarHBondContact O-N 2.91Å; L142-S144 VanDerWaalsContact C-N 3.32Å; L142-L150 HydrophobicContact CD1-CD1 3.84Å; L142-V155 HydrophobicContact CD1-CB 4.43Å; L142-V155 HydrophobicContact CD1-CG1 3.9Å; L142-V155 HydrophobicContact CD1-CG2 3.68Å; L142-V155 HydrophobicContact CD2-CG1 4.28Å; L142-M186 HydrophobicContact CD2-CB 3.67Å; L142-M186 HydrophobicContact CD2-CG 3.7Å; L142-M186 HydrophobicContact CD2-SD 4.43Å; L142-I190 HydrophobicContact CD2-CD1 4.18Å; L142-I190 HydrophobicContact CD2-CG1 4.32Å |
| 143 | L | 91.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 32.2 Ų | 32.2 | 33% | 0.33 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -79 | -12.1 | 175.9 | -86.7 | 59.8 | 0 | 0 | 0 | 113.4 | R139 D185 V189 | R139-L143 HydrophobicContact CG-CD1 4.42Å; R139-L143 HydrophobicContact CG-CD2 4.22Å; R139-L143 WeakPolarHBondContact O-CB 3.45Å; R139-L143 WeakPolarHBondContact O-CD1 3.22Å; R139-L143 PolarHBondContact O-N 3.34Å; R139-L143 VanDerWaalsContact O-N 3.09Å; L143-D185 HydrophobicContact CD1-CB 4.28Å; L143-D185 HydrophobicContact CD2-CB 4.22Å; L143-V189 HydrophobicContact CD1-CG2 3.83Å; L143-V189 HydrophobicContact CG-CG2 3.93Å |
| 144 | S | 89.6 | Confident | 90 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -69.9 | 158.9 | -179 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | A140 L141 L142 S146 G147 | A140-S144 VanDerWaalsContact O-CB 3.27Å; A140-S144 WeakPolarHBondContact O-CB 3.4Å; A140-S144 PolarHBondContact O-N 3.37Å; L141-S144 WeakPolarHBondContact O-CB 3.32Å; L141-S144 PolarHBondContact O-N 3.4Å; L141-S144 PolarHBondContact O-OG 3.24Å; L142-S144 VanDerWaalsContact C-N 3.32Å; S144-S146 PolarHBondContact O-N 3.05Å; S144-S146 PolarHBondContact OG-N 3.36Å; S144-G147 PolarHBondContact O-N 2.96Å; S144-G147 PolarHBondContact OG-N 3.16Å; S144-G147 VanDerWaalsContact OG-N 3.09Å |
| 145 | P | 84.3 | Confident | 89.9 | Confident | 97 Ų | 97 | 28.9 Ų | 28.9 | 63% | 0.63 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.6 | 169.9 | -25.6 | 35.6 | 0 | 0 | 0 | 114.6 | P98 | P98-P145 HydrophobicContact CG-CB 4.07Å; P98-P145 VanDerWaalsContact CG-O 3.29Å; P98-P145 WeakPolarHBondContact CG-O 3.41Å |
| 146 | S | 84.7 | Confident | 89.7 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -7 | 175.1 | -77.3 | 0 | 0 | 0 | 0 | 113.7 | F96 S144 P148 L149 | F96-S146 PolarHBondContact O-OG 3.22Å; S144-S146 PolarHBondContact O-N 3.05Å; S144-S146 PolarHBondContact OG-N 3.36Å; S146-P148 VanDerWaalsContact C-CD 3.42Å; S146-P148 VanDerWaalsContact C-N 3.31Å; S146-L149 VanDerWaalsContact O-CB 3.28Å; S146-L149 WeakPolarHBondContact O-CB 3.22Å; S146-L149 PolarHBondContact O-N 3.26Å |
| 147 | G | 86.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -52.1 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L141 S144 L149 L150 H354 | L141-G147 WeakPolarHBondContact O-CA 3.37Å; S144-G147 PolarHBondContact O-N 2.96Å; S144-G147 PolarHBondContact OG-N 3.16Å; S144-G147 VanDerWaalsContact OG-N 3.09Å; G147-L149 PolarHBondContact O-N 3.31Å; G147-L149 VanDerWaalsContact O-N 3.07Å; G147-L150 WeakPolarHBondContact O-CB 3.33Å; G147-L150 PolarHBondContact O-N 2.97Å; G147-H354 PolarHBondContact O-CE1 3.37Å; G147-H354 VanDerWaalsContact O-CE1 3.29Å |
| 148 | P | 84.2 | Confident | 89.5 | Confident | 46 Ų | 46 | 31.2 Ų | 31.2 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -58.9 | -15.1 | 172.9 | -28.3 | 37.5 | 0 | 0 | 0 | 115.9 | S146 L150 P353 | S146-P148 VanDerWaalsContact C-CD 3.42Å; S146-P148 VanDerWaalsContact C-N 3.31Å; P148-L150 VanDerWaalsContact C-N 3.32Å; P148-P353 WeakPolarHBondContact O-CA 3.31Å; P148-P353 WeakPolarHBondContact O-CB 3.38Å |
| 149 | L | 84.9 | Confident | 89.4 | Confident | 42 Ų | 42 | 31.4 Ų | 31.4 | 22% | 0.22 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -82.8 | -3.8 | 178.9 | -59.4 | -179.8 | 0 | 0 | 0 | 114.5 | A103 S104 S146 G147 | A103-L149 HydrophobicContact CB-CD1 3.99Å; S104-L149 PolarHBondContact OG-O 3.26Å; S146-L149 VanDerWaalsContact O-CB 3.28Å; S146-L149 WeakPolarHBondContact O-CB 3.22Å; S146-L149 PolarHBondContact O-N 3.26Å; G147-L149 PolarHBondContact O-N 3.31Å; G147-L149 VanDerWaalsContact O-N 3.07Å |
| 150 | L | 88.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -76.3 | 143.8 | 173 | -68.1 | 164.2 | 0 | 0 | 0 | 111.1 | V107 A111 L141 L142 G147 P148 T154 V155 I158 H354 | V107-L150 HydrophobicContact CG1-CD2 3.6Å; V107-L150 HydrophobicContact CG1-CG 3.75Å; A111-L150 HydrophobicContact CB-CD2 3.85Å; L141-L150 HydrophobicContact CD2-CD1 4.33Å; L141-L150 HydrophobicContact CD2-CD2 4.28Å; L141-L150 HydrophobicContact CG-CD1 4.37Å; L142-L150 HydrophobicContact CD1-CD1 3.84Å; G147-L150 WeakPolarHBondContact O-CB 3.33Å; G147-L150 PolarHBondContact O-N 2.97Å; P148-L150 VanDerWaalsContact C-N 3.32Å; L150-T154 HydrophobicContact CD2-CG2 4.15Å; L150-V155 HydrophobicContact CB-CG2 3.67Å; L150-V155 HydrophobicContact CD1-CG2 4.15Å; L150-I158 HydrophobicContact CD1-CD1 3.86Å; L150-I158 HydrophobicContact CD2-CD1 4.43Å; L150-H354 WeakPolarHBondContact O-CB 3.45Å; L150-H354 PolarHBondContact O-N 3.2Å; L150-H354 PolarHBondContact O-ND1 2.92Å; L150-H354 VanDerWaalsContact O-ND1 3.1Å |
| 151 | T | 88.7 | Confident | 89.2 | Confident | 22 Ų | 22 | 31.1 Ų | 31.1 | 14% | 0.135 | 17% | 0.17 | C | C | . | . | trans | -68.6 | 161.8 | 173.7 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | E153 T154 V155 S351 | T151-E153 VanDerWaalsContact C-N 3.29Å; T151-E153 PolarHBondContact O-N 2.84Å; T151-T154 PolarHBondContact O-N 3.02Å; T151-T154 WeakPolarHBondContact OG1-CB 3.26Å; T151-T154 PolarHBondContact OG1-N 3.47Å; T151-T154 VanDerWaalsContact OG1-N 3.13Å; T151-T154 PolarHBondContact OG1-OG1 2.85Å; T151-V155 WeakPolarHBondContact O-CG2 3.39Å; T151-V155 PolarHBondContact O-N 2.83Å; T151-V155 VanDerWaalsContact O-N 3.13Å; T151-S351 WeakPolarHBondContact CG2-OG 3.45Å | ||
| 152 | D | 86.4 | Confident | 89.3 | Confident | 19 Ų | 19 | 31 Ų | 31 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.9 | -44 | 171.5 | -76.1 | -55.5 | 0 | 0 | 0 | 111.5 | C156 H354 G355 P357 C358 | D152-C156 PolarHBondContact O-N 3.29Å; D152-C156 PolarHBondContact O-SG 3.38Å; D152-H354 WeakPolarHBondContact OD1-CA 3.49Å; D152-G355 PolarHBondContact OD1-N 3.07Å; D152-P357 HydrophobicContact CB-CB 4.25Å; D152-P357 WeakPolarHBondContact OD2-CB 3.38Å; D152-P357 VanDerWaalsContact OD2-CG 3.3Å; D152-P357 WeakPolarHBondContact OD2-CG 3.33Å; D152-C358 HydrophobicContact CB-CB 3.92Å; D152-C358 WeakPolarHBondContact OD1-CB 3.34Å; D152-C358 PolarHBondContact OD1-N 3.23Å |
| 153 | E | 87.4 | Confident | 89.4 | Confident | 114 Ų | 114 | 31.2 Ų | 31.2 | 53% | 0.533 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 179.2 | -69.9 | 77 | -171.3 | 0 | 0 | 112 | T151 C156 E157 | T151-E153 VanDerWaalsContact C-N 3.29Å; T151-E153 PolarHBondContact O-N 2.84Å; E153-C156 CarbonylContact O-C 3.48Å; E153-C156 WeakPolarHBondContact O-CA 3.07Å; E153-C156 VanDerWaalsContact O-CB 3.3Å; E153-C156 WeakPolarHBondContact O-CB 3.47Å; E153-C156 PolarHBondContact O-N 3Å; E153-C156 VanDerWaalsContact O-N 3.11Å; E153-E157 WeakPolarHBondContact O-CG 3.26Å; E153-E157 PolarHBondContact O-N 3.4Å |
| 154 | T | 89.9 | Confident | 89.4 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -80.1 | -25.4 | -172.4 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | Q108 A111 L150 T151 C156 E157 I158 | Q108-T154 PolarHBondContact NE2-OG1 3.12Å; A111-T154 HydrophobicContact CB-CG2 3.35Å; L150-T154 HydrophobicContact CD2-CG2 4.15Å; T151-T154 PolarHBondContact O-N 3.02Å; T151-T154 WeakPolarHBondContact OG1-CB 3.26Å; T151-T154 PolarHBondContact OG1-N 3.47Å; T151-T154 VanDerWaalsContact OG1-N 3.13Å; T151-T154 PolarHBondContact OG1-OG1 2.85Å; T154-C156 VanDerWaalsContact C-N 3.29Å; T154-E157 VanDerWaalsContact CA-OE2 3.27Å; T154-E157 WeakPolarHBondContact CA-OE2 3.29Å; T154-E157 WeakPolarHBondContact CB-OE2 3.22Å; T154-E157 PolarHBondContact O-N 3.31Å; T154-E157 PolarHBondContact OG1-OE2 3.35Å; T154-I158 HydrophobicContact CG2-CD1 4.38Å; T154-I158 WeakPolarHBondContact O-CB 3.44Å; T154-I158 WeakPolarHBondContact O-CG1 3.39Å; T154-I158 PolarHBondContact O-N 3.26Å |
| 155 | V | 91.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 164.5 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | L142 L150 T151 I158 L159 I190 H354 C358 | L142-V155 HydrophobicContact CD1-CB 4.43Å; L142-V155 HydrophobicContact CD1-CG1 3.9Å; L142-V155 HydrophobicContact CD1-CG2 3.68Å; L142-V155 HydrophobicContact CD2-CG1 4.28Å; L150-V155 HydrophobicContact CB-CG2 3.67Å; L150-V155 HydrophobicContact CD1-CG2 4.15Å; T151-V155 WeakPolarHBondContact O-CG2 3.39Å; T151-V155 PolarHBondContact O-N 2.83Å; T151-V155 VanDerWaalsContact O-N 3.13Å; V155-I158 PolarHBondContact O-N 3.47Å; V155-L159 HydrophobicContact CG1-CD1 3.96Å; V155-L159 WeakPolarHBondContact O-CB 3.43Å; V155-L159 WeakPolarHBondContact O-CD1 3.28Å; V155-L159 VanDerWaalsContact O-CG 3.24Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.42Å; V155-I190 HydrophobicContact CG1-CD1 3.67Å; V155-I190 HydrophobicContact CG1-CG1 4.4Å; V155-H354 HydrophobicContact CG2-CB 4.13Å; V155-C358 VanDerWaalsContact CG1-SG 3.51Å |
| 156 | C | 90.7 | Very high | 89.8 | Confident | 34 Ų | 34 | 28.9 Ų | 28.9 | 23% | 0.23 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 172.6 | -71.9 | 0 | 0 | 0 | 0 | 113 | D152 E153 T154 L159 Q160 C358 | D152-C156 PolarHBondContact O-N 3.29Å; D152-C156 PolarHBondContact O-SG 3.38Å; E153-C156 CarbonylContact O-C 3.48Å; E153-C156 WeakPolarHBondContact O-CA 3.07Å; E153-C156 VanDerWaalsContact O-CB 3.3Å; E153-C156 WeakPolarHBondContact O-CB 3.47Å; E153-C156 PolarHBondContact O-N 3Å; E153-C156 VanDerWaalsContact O-N 3.11Å; T154-C156 VanDerWaalsContact C-N 3.29Å; C156-L159 PolarHBondContact O-N 3.22Å; C156-Q160 VanDerWaalsContact O-CB 3.3Å; C156-Q160 WeakPolarHBondContact O-CB 3.42Å; C156-Q160 PolarHBondContact O-N 3.37Å; C156-C358 VanDerWaalsContact SG-SG 3.62Å |
| 157 | E | 90.8 | Very high | 90 | Very high | 77 Ų | 77 | 31.3 Ų | 31.3 | 36% | 0.36 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.2 | -68.3 | 165.8 | 155.3 | 0 | 0 | 112.2 | E153 T154 Q160 S161 | E153-E157 WeakPolarHBondContact O-CG 3.26Å; E153-E157 PolarHBondContact O-N 3.4Å; T154-E157 VanDerWaalsContact CA-OE2 3.27Å; T154-E157 WeakPolarHBondContact CA-OE2 3.29Å; T154-E157 WeakPolarHBondContact CB-OE2 3.22Å; T154-E157 PolarHBondContact O-N 3.31Å; T154-E157 PolarHBondContact OG1-OE2 3.35Å; E157-Q160 PolarHBondContact O-N 3.13Å; E157-S161 PolarHBondContact O-N 2.71Å |
| 158 | I | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58 | -51.9 | 174.9 | -70.4 | 169.9 | 0 | 0 | 0 | 110.5 | A111 T115 L138 L141 L150 T154 V155 Q160 S161 C162 M186 | A111-I158 HydrophobicContact CB-CD1 3.93Å; A111-I158 HydrophobicContact CB-CG1 4.32Å; T115-I158 HydrophobicContact CG2-CB 4.44Å; T115-I158 HydrophobicContact CG2-CG1 3.87Å; L138-I158 HydrophobicContact CB-CG2 4.07Å; L138-I158 HydrophobicContact CD1-CG2 4.38Å; L138-I158 HydrophobicContact CD2-CG1 4.08Å; L138-I158 HydrophobicContact CD2-CG2 4.28Å; L138-I158 HydrophobicContact CG-CG2 4.46Å; L141-I158 HydrophobicContact CD2-CD1 4.29Å; L150-I158 HydrophobicContact CD1-CD1 3.86Å; L150-I158 HydrophobicContact CD2-CD1 4.43Å; T154-I158 HydrophobicContact CG2-CD1 4.38Å; T154-I158 WeakPolarHBondContact O-CB 3.44Å; T154-I158 WeakPolarHBondContact O-CG1 3.39Å; T154-I158 PolarHBondContact O-N 3.26Å; V155-I158 PolarHBondContact O-N 3.47Å; I158-Q160 VanDerWaalsContact C-N 3.34Å; I158-Q160 PolarHBondContact O-N 2.7Å; I158-S161 PolarHBondContact O-N 3.01Å; I158-C162 PolarHBondContact O-N 2.83Å; I158-C162 VanDerWaalsContact O-N 3.15Å; I158-M186 HydrophobicContact CG2-CE 3.45Å; I158-M186 VanDerWaalsContact CG2-CE 3.45Å; I158-M186 HydrophobicContact CG2-SD 4.04Å |
| 159 | L | 93.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 178.2 | -71.5 | 161.7 | 0 | 0 | 0 | 111.3 | V155 C156 S161 C162 F163 L183 M186 I190 L362 | V155-L159 HydrophobicContact CG1-CD1 3.96Å; V155-L159 WeakPolarHBondContact O-CB 3.43Å; V155-L159 WeakPolarHBondContact O-CD1 3.28Å; V155-L159 VanDerWaalsContact O-CG 3.24Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.42Å; C156-L159 PolarHBondContact O-N 3.22Å; L159-S161 VanDerWaalsContact C-N 3.33Å; L159-S161 PolarHBondContact O-N 3.33Å; L159-C162 PolarHBondContact O-N 3.27Å; L159-F163 HydrophobicContact CB-CD2 4.45Å; L159-F163 HydrophobicContact CB-CE2 4.4Å; L159-F163 WeakPolarHBondContact O-CD2 3.44Å; L159-F163 PolarHBondContact O-N 3.2Å; L159-L183 HydrophobicContact CD2-CD2 3.9Å; L159-M186 HydrophobicContact CD2-CB 3.87Å; L159-M186 HydrophobicContact CD2-SD 3.93Å; L159-I190 HydrophobicContact CD1-CD1 3.84Å; L159-L362 HydrophobicContact CD1-CD1 4.17Å; L159-L362 HydrophobicContact CD1-CD2 4.01Å; L159-L362 HydrophobicContact CD1-CG 4.47Å |
| 160 | Q | 91.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 45% | 0.453 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 179.6 | -172.5 | 174 | -1.5 | 0 | 0 | 112.2 | C156 E157 I158 F163 R164 | C156-Q160 VanDerWaalsContact O-CB 3.3Å; C156-Q160 WeakPolarHBondContact O-CB 3.42Å; C156-Q160 PolarHBondContact O-N 3.37Å; E157-Q160 PolarHBondContact O-N 3.13Å; I158-Q160 VanDerWaalsContact C-N 3.34Å; I158-Q160 PolarHBondContact O-N 2.7Å; Q160-F163 PolarHBondContact O-N 3.44Å; Q160-R164 WeakPolarHBondContact O-CG 3.1Å; Q160-R164 PolarHBondContact O-N 3.39Å |
| 161 | S | 91.2 | Very high | 90.2 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 172.9 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | E157 I158 L159 F163 R164 I165 | E157-S161 PolarHBondContact O-N 2.71Å; I158-S161 PolarHBondContact O-N 3.01Å; L159-S161 VanDerWaalsContact C-N 3.33Å; L159-S161 PolarHBondContact O-N 3.33Å; S161-F163 PolarHBondContact O-N 3.33Å; S161-R164 PolarHBondContact O-N 2.71Å; S161-I165 PolarHBondContact O-N 2.94Å |
| 162 | C | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.1 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | L135 I158 L159 I165 C166 L183 | L135-C162 HydrophobicContact CD2-CB 4.18Å; I158-C162 PolarHBondContact O-N 2.83Å; I158-C162 VanDerWaalsContact O-N 3.15Å; L159-C162 PolarHBondContact O-N 3.27Å; C162-I165 PolarHBondContact O-N 3.3Å; C162-C166 PolarHBondContact O-N 3.24Å; C162-C166 VanDerWaalsContact O-N 3.08Å; C162-L183 HydrophobicContact CB-CD1 4.42Å; C162-L183 HydrophobicContact CB-CD2 3.63Å; C162-L183 HydrophobicContact CB-CG 3.85Å |
| 163 | F | 93.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.8 | -82.5 | -65.3 | 0 | 0 | 0 | 112.9 | L159 Q160 S161 I165 C166 F167 L183 L362 F365 L366 L369 L384 L388 | L159-F163 HydrophobicContact CB-CD2 4.45Å; L159-F163 HydrophobicContact CB-CE2 4.4Å; L159-F163 WeakPolarHBondContact O-CD2 3.44Å; L159-F163 PolarHBondContact O-N 3.2Å; Q160-F163 PolarHBondContact O-N 3.44Å; S161-F163 PolarHBondContact O-N 3.33Å; F163-I165 VanDerWaalsContact C-N 3.31Å; F163-I165 PolarHBondContact O-N 2.98Å; F163-C166 WeakPolarHBondContact O-CB 3.06Å; F163-C166 PolarHBondContact O-N 3.44Å; F163-C166 VanDerWaalsContact O-N 3.13Å; F163-F167 HydrophobicContact CB-CD2 4.38Å; F163-F167 HydrophobicContact CB-CE2 4Å; F163-F167 AromaticContact CD1-CE2 3.96Å; F163-F167 HydrophobicContact CD1-CE2 3.96Å; F163-F167 AromaticContact CD1-CZ 3.86Å; F163-F167 HydrophobicContact CD1-CZ 3.86Å; F163-F167 HydrophobicContact CG-CE2 4.35Å; F163-F167 WeakPolarHBondContact O-CD2 3.47Å; F163-F167 WeakPolarHBondContact O-CG 3.18Å; F163-F167 PolarHBondContact O-N 3.28Å; F163-L183 HydrophobicContact CD1-CD1 3.59Å; F163-L183 HydrophobicContact CD2-CD1 4.48Å; F163-L183 HydrophobicContact CD2-CD2 4Å; F163-L183 HydrophobicContact CE1-CD1 3.64Å; F163-L183 HydrophobicContact CE1-CD2 4.39Å; F163-L183 HydrophobicContact CE2-CD2 3.83Å; F163-L183 HydrophobicContact CG-CD1 4.02Å; F163-L183 HydrophobicContact CG-CD2 4.32Å; F163-L183 HydrophobicContact CZ-CD1 4.1Å; F163-L183 HydrophobicContact CZ-CD2 4.02Å; F163-L362 HydrophobicContact CE2-CD1 4.45Å; F163-F365 HydrophobicContact CB-CE1 4.49Å; F163-F365 AromaticContact CD1-CE1 3.92Å; F163-F365 HydrophobicContact CD1-CE1 3.92Å; F163-F365 HydrophobicContact CD2-CD1 4.15Å; F163-F365 AromaticContact CD2-CE1 3.59Å; F163-F365 HydrophobicContact CD2-CE1 3.59Å; F163-F365 HydrophobicContact CD2-CZ 4.49Å; F163-F365 AromaticContact CE1-CE1 3.96Å; F163-F365 HydrophobicContact CE1-CE1 3.96Å; F163-F365 AromaticContact CE2-CD1 3.82Å; F163-F365 HydrophobicContact CE2-CD1 3.82Å; F163-F365 AromaticContact CE2-CE1 3.67Å; F163-F365 HydrophobicContact CE2-CE1 3.67Å; F163-F365 AromaticContact CG-CE1 3.75Å; F163-F365 HydrophobicContact CG-CE1 3.75Å; F163-F365 HydrophobicContact CG-CZ 4.43Å; F163-F365 HydrophobicContact CZ-CD1 4.04Å; F163-F365 AromaticContact CZ-CE1 3.86Å; F163-F365 HydrophobicContact CZ-CE1 3.86Å; F163-L366 HydrophobicContact CE1-CD2 4.32Å; F163-L366 HydrophobicContact CZ-CD2 3.75Å; F163-L369 HydrophobicContact CE1-CD1 3.99Å; F163-L384 HydrophobicContact CE1-CD2 4.5Å; F163-L388 HydrophobicContact CE1-CD1 3.62Å; F163-L388 HydrophobicContact CZ-CD1 3.73Å |
| 164 | R | 89.9 | Confident | 90.5 | Very high | 100 Ų | 100 | 54.6 Ų | 54.6 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 174.8 | -74.2 | 176.1 | 68.1 | -153.8 | -2.2 | 111.4 | Q160 S161 C166 F167 E168 V280 H281 | Q160-R164 WeakPolarHBondContact O-CG 3.1Å; Q160-R164 PolarHBondContact O-N 3.39Å; S161-R164 PolarHBondContact O-N 2.71Å; R164-C166 VanDerWaalsContact C-N 3.34Å; R164-C166 PolarHBondContact O-N 3.08Å; R164-F167 PolarHBondContact O-N 3.32Å; R164-E168 PolarHBondContact O-N 2.99Å; R164-E168 VanDerWaalsContact O-N 3.08Å; R164-V280 VanDerWaalsContact CZ-O 3.29Å; R164-V280 PolarHBondContact NH1-O 2.94Å; R164-V280 VanDerWaalsContact NH2-C 3.28Å; R164-V280 PolarHBondContact NH2-O 3.43Å; R164-H281 VanDerWaalsContact NH2-C 3.32Å; R164-H281 PolarHBondContact NH2-O 2.81Å |
| 165 | I | 91.9 | Very high | 90.7 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.3 | -62.9 | 171.3 | 0 | 0 | 0 | 111.2 | L131 L135 S161 C162 F163 F167 L171 L175 R176 A179 | L131-I165 HydrophobicContact CD2-CD1 4.47Å; L135-I165 HydrophobicContact CD1-CG2 4.26Å; L135-I165 HydrophobicContact CD2-CD1 3.78Å; L135-I165 HydrophobicContact CG-CD1 3.96Å; S161-I165 PolarHBondContact O-N 2.94Å; C162-I165 PolarHBondContact O-N 3.3Å; F163-I165 VanDerWaalsContact C-N 3.31Å; F163-I165 PolarHBondContact O-N 2.98Å; I165-F167 PolarHBondContact O-N 2.87Å; I165-L171 HydrophobicContact CG2-CD1 3.93Å; I165-L175 HydrophobicContact CG2-CD1 4.33Å; I165-L175 HydrophobicContact CG2-CD2 4.35Å; I165-L175 HydrophobicContact CG2-CG 3.96Å; I165-R176 WeakPolarHBondContact O-CG 3.49Å; I165-A179 HydrophobicContact CB-CB 4.16Å; I165-A179 HydrophobicContact CG2-CB 3.77Å |
| 166 | C | 90.4 | Very high | 90.7 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 10% | 0.095 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 174.6 | -76.5 | 0 | 0 | 0 | 0 | 114.6 | C162 F163 R164 R176 A179 E180 L183 L384 | C162-C166 PolarHBondContact O-N 3.24Å; C162-C166 VanDerWaalsContact O-N 3.08Å; F163-C166 WeakPolarHBondContact O-CB 3.06Å; F163-C166 PolarHBondContact O-N 3.44Å; F163-C166 VanDerWaalsContact O-N 3.13Å; R164-C166 VanDerWaalsContact C-N 3.34Å; R164-C166 PolarHBondContact O-N 3.08Å; C166-R176 VanDerWaalsContact O-CD 3.31Å; C166-R176 WeakPolarHBondContact O-CD 3.32Å; C166-A179 VanDerWaalsContact SG-C 3.52Å; C166-A179 WeakPolarHBondContact SG-CB 3.32Å; C166-E180 PolarHBondContact SG-N 2.84Å; C166-L183 VanDerWaalsContact SG-CD1 3.59Å; C166-L384 HydrophobicContact CB-CD2 3.93Å |
| 167 | F | 89.6 | Confident | 90.8 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 23% | 0.232 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -93.9 | -15.2 | -173.2 | -60 | -38.2 | 0 | 0 | 0 | 114.6 | F163 R164 I165 E169 F365 L369 I381 L384 | F163-F167 HydrophobicContact CB-CD2 4.38Å; F163-F167 HydrophobicContact CB-CE2 4Å; F163-F167 AromaticContact CD1-CE2 3.96Å; F163-F167 HydrophobicContact CD1-CE2 3.96Å; F163-F167 AromaticContact CD1-CZ 3.86Å; F163-F167 HydrophobicContact CD1-CZ 3.86Å; F163-F167 HydrophobicContact CG-CE2 4.35Å; F163-F167 WeakPolarHBondContact O-CD2 3.47Å; F163-F167 WeakPolarHBondContact O-CG 3.18Å; F163-F167 PolarHBondContact O-N 3.28Å; R164-F167 PolarHBondContact O-N 3.32Å; I165-F167 PolarHBondContact O-N 2.87Å; F167-E169 PolarHBondContact O-N 3.13Å; F167-F365 HydrophobicContact CE2-CZ 4.34Å; F167-L369 HydrophobicContact CE2-CD2 4.3Å; F167-L369 HydrophobicContact CZ-CD1 3.95Å; F167-L369 HydrophobicContact CZ-CD2 3.88Å; F167-I381 HydrophobicContact CD1-CD1 4.26Å; F167-I381 HydrophobicContact CD1-CG1 3.84Å; F167-I381 HydrophobicContact CE1-CB 4.25Å; F167-I381 HydrophobicContact CE1-CD1 4.42Å; F167-I381 HydrophobicContact CE1-CG1 3.76Å; F167-I381 HydrophobicContact CE1-CG2 3.92Å; F167-I381 HydrophobicContact CZ-CG2 4.16Å; F167-L384 HydrophobicContact CE1-CD2 3.79Å; F167-L384 HydrophobicContact CZ-CD2 4.31Å |
| 168 | E | 89.1 | Confident | 91 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | trans | -71.5 | 96.9 | 177.2 | -176.1 | 57.1 | -121.6 | 0 | 0 | 111.1 | R164 R170 L171 R176 | R164-E168 PolarHBondContact O-N 2.99Å; R164-E168 VanDerWaalsContact O-N 3.08Å; E168-R170 HydrophobicContact CG-CB 4.3Å; E168-R170 PolarHBondContact O-N 3.19Å; E168-R170 VanDerWaalsContact O-N 3.09Å; E168-R170 WeakPolarHBondContact OE1-CB 3.24Å; E168-R170 VanDerWaalsContact OE1-CD 3.25Å; E168-R170 WeakPolarHBondContact OE1-CD 3.42Å; E168-R170 WeakPolarHBondContact OE1-CG 3.45Å; E168-R170 IonicContact OE1-NE 2.67Å; E168-L171 HydrophobicContact CB-CD1 3.95Å; E168-L171 HydrophobicContact CB-CG 4.08Å; E168-L171 HydrophobicContact CG-CD1 4.14Å; E168-L171 HydrophobicContact CG-CG 3.85Å; E168-L171 PolarHBondContact O-N 2.91Å; E168-R176 WeakPolarHBondContact O-CD 3.38Å | ||
| 169 | E | 83.2 | Confident | 91 | Very high | 144 Ų | 144 | 58.5 Ų | 58.5 | 67% | 0.673 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.2 | -174.3 | -62.7 | -163.7 | 144.1 | 0 | 0 | 114 | F167 L171 R176 | F167-E169 PolarHBondContact O-N 3.13Å; E169-L171 PolarHBondContact O-N 2.89Å; E169-R176 PolarHBondContact O-NH2 3.35Å |
| 170 | R | 86.4 | Confident | 91.1 | Very high | 193 Ų | 193 | 59.3 Ų | 59.3 | 73% | 0.728 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -22.7 | 176.3 | -60.2 | 176.8 | -164.2 | 176.5 | 11.5 | 113.3 | E168 T284 | E168-R170 HydrophobicContact CG-CB 4.3Å; E168-R170 PolarHBondContact O-N 3.19Å; E168-R170 VanDerWaalsContact O-N 3.09Å; E168-R170 WeakPolarHBondContact OE1-CB 3.24Å; E168-R170 VanDerWaalsContact OE1-CD 3.25Å; E168-R170 WeakPolarHBondContact OE1-CD 3.42Å; E168-R170 WeakPolarHBondContact OE1-CG 3.45Å; E168-R170 IonicContact OE1-NE 2.67Å; R170-T284 PolarHBondContact NH2-OG1 2.9Å; R170-T284 VanDerWaalsContact NH2-OG1 3.14Å |
| 171 | L | 89.5 | Confident | 91.2 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -81.6 | 150.7 | 179.4 | -60.9 | 179 | 0 | 0 | 0 | 111.9 | E128 L131 I165 E168 E169 L175 R176 | E128-L171 HydrophobicContact CG-CD2 4.19Å; L131-L171 HydrophobicContact CD1-CD1 4.01Å; L131-L171 HydrophobicContact CD1-CD2 3.8Å; I165-L171 HydrophobicContact CG2-CD1 3.93Å; E168-L171 HydrophobicContact CB-CD1 3.95Å; E168-L171 HydrophobicContact CB-CG 4.08Å; E168-L171 HydrophobicContact CG-CD1 4.14Å; E168-L171 HydrophobicContact CG-CG 3.85Å; E168-L171 PolarHBondContact O-N 2.91Å; E169-L171 PolarHBondContact O-N 2.89Å; L171-L175 HydrophobicContact CB-CD2 4.33Å; L171-L175 HydrophobicContact CD1-CD2 3.96Å; L171-L175 HydrophobicContact CD2-CD2 4.22Å; L171-L175 HydrophobicContact CG-CD2 4.4Å; L171-R176 HydrophobicContact CB-CG 4.24Å; L171-R176 PolarHBondContact O-NE 2.91Å; L171-R176 PolarHBondContact O-NH2 3.18Å; L171-R176 VanDerWaalsContact O-NH2 3.1Å |
| 172 | S | 91.4 | Very high | 91.4 | Very high | 41 Ų | 41 | 58 Ų | 58 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | trans | -57.9 | 148.7 | -179.1 | 79.6 | 0 | 0 | 0 | 0 | 112.2 | E128 L174 L175 R176 | E128-S172 WeakPolarHBondContact OE1-CB 3.33Å; E128-S172 PolarHBondContact OE1-N 2.81Å; E128-S172 WeakPolarHBondContact OE2-CB 3.41Å; E128-S172 PolarHBondContact OE2-OG 3.49Å; S172-L174 PolarHBondContact O-N 2.9Å; S172-L175 PolarHBondContact O-N 3.47Å; S172-L175 PolarHBondContact OG-N 3.26Å; S172-L175 VanDerWaalsContact OG-N 3.12Å; S172-R176 PolarHBondContact O-N 3.34Å | ||
| 173 | L | 87.8 | Confident | 91.4 | Very high | 113 Ų | 113 | 58 Ų | 58 | 59% | 0.592 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.2 | -29.8 | 175.3 | -177.4 | 61.4 | 0 | 0 | 0 | 111.7 | K177 | L173-K177 HydrophobicContact CD1-CG 4.09Å; L173-K177 HydrophobicContact CG-CG 4.42Å; L173-K177 VanDerWaalsContact O-CB 3.3Å; L173-K177 WeakPolarHBondContact O-CB 3.33Å; L173-K177 VanDerWaalsContact O-CG 3.29Å; L173-K177 WeakPolarHBondContact O-CG 3.41Å; L173-K177 PolarHBondContact O-N 2.98Å |
| 174 | L | 90.6 | Very high | 91.5 | Very high | 144 Ų | 144 | 61.3 Ų | 61.3 | 75% | 0.754 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.3 | -50.1 | 177 | -178.8 | 62.4 | 0 | 0 | 0 | 111.3 | S172 K177 A178 | S172-L174 PolarHBondContact O-N 2.9Å; L174-K177 PolarHBondContact O-N 2.81Å; L174-A178 WeakPolarHBondContact O-CB 3.18Å; L174-A178 PolarHBondContact O-N 2.91Å |
| 175 | L | 92.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.9 | 179.3 | 58.6 | 0 | 0 | 0 | 111.4 | E128 L131 L132 L135 I165 L171 S172 K177 A178 A179 | E128-L175 HydrophobicContact CB-CD2 4.01Å; E128-L175 HydrophobicContact CG-CD2 3.64Å; L131-L175 HydrophobicContact CB-CD1 4.28Å; L131-L175 HydrophobicContact CB-CD2 3.73Å; L131-L175 HydrophobicContact CD1-CD2 3.81Å; L131-L175 HydrophobicContact CG-CD2 4.44Å; L132-L175 HydrophobicContact CB-CD1 4.04Å; L132-L175 HydrophobicContact CD1-CD1 4.28Å; L135-L175 HydrophobicContact CD1-CD1 3.64Å; I165-L175 HydrophobicContact CG2-CD1 4.33Å; I165-L175 HydrophobicContact CG2-CD2 4.35Å; I165-L175 HydrophobicContact CG2-CG 3.96Å; L171-L175 HydrophobicContact CB-CD2 4.33Å; L171-L175 HydrophobicContact CD1-CD2 3.96Å; L171-L175 HydrophobicContact CD2-CD2 4.22Å; L171-L175 HydrophobicContact CG-CD2 4.4Å; S172-L175 PolarHBondContact O-N 3.47Å; S172-L175 PolarHBondContact OG-N 3.26Å; S172-L175 VanDerWaalsContact OG-N 3.12Å; L175-K177 PolarHBondContact O-N 3.12Å; L175-A178 WeakPolarHBondContact O-CB 3.28Å; L175-A178 PolarHBondContact O-N 3.32Å; L175-A179 PolarHBondContact O-N 3.22Å |
| 176 | R | 92.8 | Very high | 92 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 26% | 0.26 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 175.9 | -73.1 | -168.1 | -82.1 | 145.5 | -11.2 | 113.3 | I165 C166 E168 E169 L171 S172 A179 E180 | I165-R176 WeakPolarHBondContact O-CG 3.49Å; C166-R176 VanDerWaalsContact O-CD 3.31Å; C166-R176 WeakPolarHBondContact O-CD 3.32Å; E168-R176 WeakPolarHBondContact O-CD 3.38Å; E169-R176 PolarHBondContact O-NH2 3.35Å; L171-R176 HydrophobicContact CB-CG 4.24Å; L171-R176 PolarHBondContact O-NE 2.91Å; L171-R176 PolarHBondContact O-NH2 3.18Å; L171-R176 VanDerWaalsContact O-NH2 3.1Å; S172-R176 PolarHBondContact O-N 3.34Å; R176-A179 PolarHBondContact O-N 2.98Å; R176-E180 PolarHBondContact O-N 3.17Å |
| 177 | K | 92.8 | Very high | 92.2 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -75.3 | -27.6 | 174.5 | -71.9 | -70.9 | 173.3 | -170.6 | 0 | 113.3 | L173 L174 L175 E180 T181 | L173-K177 HydrophobicContact CD1-CG 4.09Å; L173-K177 HydrophobicContact CG-CG 4.42Å; L173-K177 VanDerWaalsContact O-CB 3.3Å; L173-K177 WeakPolarHBondContact O-CB 3.33Å; L173-K177 VanDerWaalsContact O-CG 3.29Å; L173-K177 WeakPolarHBondContact O-CG 3.41Å; L173-K177 PolarHBondContact O-N 2.98Å; L174-K177 PolarHBondContact O-N 2.81Å; L175-K177 PolarHBondContact O-N 3.12Å; K177-E180 WeakPolarHBondContact CD-OE2 3.29Å; K177-E180 WeakPolarHBondContact CE-OE2 3.31Å; K177-E180 IonicContact NZ-OE1 2.73Å; K177-E180 IonicContact NZ-OE2 3.1Å; K177-E180 PolarHBondContact NZ-OE2 3.1Å; K177-T181 WeakPolarHBondContact O-CB 3.41Å; K177-T181 PolarHBondContact O-N 2.9Å; K177-T181 PolarHBondContact O-OG1 3.01Å |
| 178 | A | 93.5 | Very high | 92.4 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -42.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L132 L174 L175 T181 C182 | L132-A178 HydrophobicContact CD1-CB 3.75Å; L174-A178 WeakPolarHBondContact O-CB 3.18Å; L174-A178 PolarHBondContact O-N 2.91Å; L175-A178 WeakPolarHBondContact O-CB 3.28Å; L175-A178 PolarHBondContact O-N 3.32Å; A178-T181 PolarHBondContact O-N 3.42Å; A178-C182 WeakPolarHBondContact O-CB 3.31Å; A178-C182 PolarHBondContact O-N 2.87Å |
| 179 | A | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L135 I165 C166 L175 R176 T181 C182 L183 | L135-A179 HydrophobicContact CD1-CB 3.76Å; L135-A179 HydrophobicContact CD2-CB 3.88Å; L135-A179 HydrophobicContact CG-CB 4.49Å; I165-A179 HydrophobicContact CB-CB 4.16Å; I165-A179 HydrophobicContact CG2-CB 3.77Å; C166-A179 VanDerWaalsContact SG-C 3.52Å; C166-A179 WeakPolarHBondContact SG-CB 3.32Å; L175-A179 PolarHBondContact O-N 3.22Å; R176-A179 PolarHBondContact O-N 2.98Å; A179-T181 VanDerWaalsContact C-N 3.35Å; A179-T181 PolarHBondContact O-N 2.9Å; A179-C182 WeakPolarHBondContact O-CB 3.22Å; A179-C182 PolarHBondContact O-N 3.41Å; A179-L183 WeakPolarHBondContact O-CG 3.39Å; A179-L183 PolarHBondContact O-N 2.89Å |
| 180 | E | 94.2 | Very high | 93 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 172.7 | 169.6 | 177.7 | 154 | 0 | 0 | 111.8 | C166 R176 K177 C182 L183 R184 L384 | C166-E180 PolarHBondContact SG-N 2.84Å; R176-E180 PolarHBondContact O-N 3.17Å; K177-E180 WeakPolarHBondContact CD-OE2 3.29Å; K177-E180 WeakPolarHBondContact CE-OE2 3.31Å; K177-E180 IonicContact NZ-OE1 2.73Å; K177-E180 IonicContact NZ-OE2 3.1Å; K177-E180 PolarHBondContact NZ-OE2 3.1Å; E180-C182 VanDerWaalsContact C-N 3.34Å; E180-L183 PolarHBondContact O-N 3.15Å; E180-R184 WeakPolarHBondContact O-CG 3.3Å; E180-R184 PolarHBondContact O-N 3.23Å; E180-R184 IonicContact OE1-CZ 2.88Å; E180-R184 IonicContact OE1-NE 3.71Å; E180-R184 PolarHBondContact OE1-NE 2.97Å; E180-R184 IonicContact OE1-NH2 2.81Å; E180-R184 PolarHBondContact OE1-NH2 2.71Å; E180-L384 HydrophobicContact CB-CD1 4.02Å; E180-L384 HydrophobicContact CG-CD1 3.52Å |
| 181 | T | 94.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 46% | 0.46 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 177.2 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | K177 A178 A179 R184 D185 | K177-T181 WeakPolarHBondContact O-CB 3.41Å; K177-T181 PolarHBondContact O-N 2.9Å; K177-T181 PolarHBondContact O-OG1 3.01Å; A178-T181 PolarHBondContact O-N 3.42Å; A179-T181 VanDerWaalsContact C-N 3.35Å; A179-T181 PolarHBondContact O-N 2.9Å; T181-R184 PolarHBondContact O-N 3.29Å; T181-D185 PolarHBondContact O-N 3.48Å |
| 182 | C | 94.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | A178 A179 E180 R184 D185 M186 | A178-C182 WeakPolarHBondContact O-CB 3.31Å; A178-C182 PolarHBondContact O-N 2.87Å; A179-C182 WeakPolarHBondContact O-CB 3.22Å; A179-C182 PolarHBondContact O-N 3.41Å; E180-C182 VanDerWaalsContact C-N 3.34Å; C182-R184 PolarHBondContact O-N 2.93Å; C182-D185 PolarHBondContact O-N 3.4Å; C182-M186 WeakPolarHBondContact O-CG 3.4Å; C182-M186 PolarHBondContact O-N 3.24Å; C182-M186 VanDerWaalsContact SG-CE 3.55Å |
| 183 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 177.3 | -75.5 | 169.3 | 0 | 0 | 0 | 112.6 | L159 C162 F163 C166 A179 E180 D185 M186 V187 L388 | L159-L183 HydrophobicContact CD2-CD2 3.9Å; C162-L183 HydrophobicContact CB-CD1 4.42Å; C162-L183 HydrophobicContact CB-CD2 3.63Å; C162-L183 HydrophobicContact CB-CG 3.85Å; F163-L183 HydrophobicContact CD1-CD1 3.59Å; F163-L183 HydrophobicContact CD2-CD1 4.48Å; F163-L183 HydrophobicContact CD2-CD2 4Å; F163-L183 HydrophobicContact CE1-CD1 3.64Å; F163-L183 HydrophobicContact CE1-CD2 4.39Å; F163-L183 HydrophobicContact CE2-CD2 3.83Å; F163-L183 HydrophobicContact CG-CD1 4.02Å; F163-L183 HydrophobicContact CG-CD2 4.32Å; F163-L183 HydrophobicContact CZ-CD1 4.1Å; F163-L183 HydrophobicContact CZ-CD2 4.02Å; C166-L183 VanDerWaalsContact SG-CD1 3.59Å; A179-L183 WeakPolarHBondContact O-CG 3.39Å; A179-L183 PolarHBondContact O-N 2.89Å; E180-L183 PolarHBondContact O-N 3.15Å; L183-D185 PolarHBondContact O-N 2.81Å; L183-M186 PolarHBondContact O-N 3.37Å; L183-V187 WeakPolarHBondContact O-CB 3.34Å; L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 3.16Å; L183-L388 HydrophobicContact CB-CD1 4.1Å; L183-L388 HydrophobicContact CB-CD2 3.93Å; L183-L388 HydrophobicContact CD1-CD1 4.28Å |
| 184 | R | 96.1 | Very high | 93.4 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.9 | -49.1 | 175.1 | -70.7 | 166.1 | -177.7 | -97.9 | 0.8 | 110.9 | E180 T181 C182 V187 M188 S387 L388 V391 | E180-R184 WeakPolarHBondContact O-CG 3.3Å; E180-R184 PolarHBondContact O-N 3.23Å; E180-R184 IonicContact OE1-CZ 2.88Å; E180-R184 IonicContact OE1-NE 3.71Å; E180-R184 PolarHBondContact OE1-NE 2.97Å; E180-R184 IonicContact OE1-NH2 2.81Å; E180-R184 PolarHBondContact OE1-NH2 2.71Å; T181-R184 PolarHBondContact O-N 3.29Å; C182-R184 PolarHBondContact O-N 2.93Å; R184-V187 PolarHBondContact O-N 3.37Å; R184-M188 WeakPolarHBondContact O-CB 3.36Å; R184-M188 PolarHBondContact O-N 3.47Å; R184-S387 PolarHBondContact NH1-OG 3.38Å; R184-S387 PolarHBondContact NH2-OG 2.96Å; R184-L388 HydrophobicContact CB-CD2 4.28Å; R184-L388 HydrophobicContact CG-CD2 3.7Å; R184-V391 HydrophobicContact CB-CG2 4.48Å; R184-V391 HydrophobicContact CG-CG2 4.35Å |
| 185 | D | 96 | Very high | 93.2 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 18% | 0.176 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 178.3 | -73.2 | -34.6 | 0 | 0 | 0 | 112.5 | R139 L143 T181 C182 L183 M188 V189 | R139-D185 IonicContact CZ-OD2 2.69Å; R139-D185 IonicContact NE-OD2 3.85Å; R139-D185 PolarHBondContact NE-OD2 3.17Å; R139-D185 IonicContact NH2-OD2 3.42Å; R139-D185 PolarHBondContact NH2-OD2 3.43Å; L143-D185 HydrophobicContact CD1-CB 4.28Å; L143-D185 HydrophobicContact CD2-CB 4.22Å; T181-D185 PolarHBondContact O-N 3.48Å; C182-D185 PolarHBondContact O-N 3.4Å; L183-D185 PolarHBondContact O-N 2.81Å; D185-M188 PolarHBondContact O-N 3.47Å; D185-V189 WeakPolarHBondContact O-CG2 3.24Å; D185-V189 PolarHBondContact O-N 3.33Å; D185-V189 VanDerWaalsContact O-N 3.12Å |
| 186 | M | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 177.4 | -70.1 | 179.1 | 167.3 | 0 | 0 | 112.1 | L138 L142 I158 L159 C182 L183 M188 V189 I190 | L138-M186 VanDerWaalsContact C-CE 3.48Å; L138-M186 HydrophobicContact CB-CE 3.86Å; L138-M186 WeakPolarHBondContact O-CE 3.28Å; L142-M186 HydrophobicContact CD2-CB 3.67Å; L142-M186 HydrophobicContact CD2-CG 3.7Å; L142-M186 HydrophobicContact CD2-SD 4.43Å; I158-M186 HydrophobicContact CG2-CE 3.45Å; I158-M186 VanDerWaalsContact CG2-CE 3.45Å; I158-M186 HydrophobicContact CG2-SD 4.04Å; L159-M186 HydrophobicContact CD2-CB 3.87Å; L159-M186 HydrophobicContact CD2-SD 3.93Å; C182-M186 WeakPolarHBondContact O-CG 3.4Å; C182-M186 PolarHBondContact O-N 3.24Å; C182-M186 VanDerWaalsContact SG-CE 3.55Å; L183-M186 PolarHBondContact O-N 3.37Å; M186-M188 VanDerWaalsContact C-N 3.33Å; M186-M188 PolarHBondContact O-N 3.07Å; M186-V189 PolarHBondContact O-N 3Å; M186-I190 WeakPolarHBondContact O-CG1 3.41Å; M186-I190 PolarHBondContact O-N 3.19Å; M186-I190 VanDerWaalsContact O-N 3.14Å |
| 187 | V | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | L183 R184 V189 I190 F191 L362 L366 L388 A392 | L183-V187 WeakPolarHBondContact O-CB 3.34Å; L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 3.16Å; R184-V187 PolarHBondContact O-N 3.37Å; V187-V189 PolarHBondContact O-N 3.47Å; V187-I190 PolarHBondContact O-N 3.38Å; V187-F191 HydrophobicContact CG1-CD2 3.91Å; V187-F191 HydrophobicContact CG1-CE2 4.33Å; V187-F191 WeakPolarHBondContact O-CD2 3.5Å; V187-F191 PolarHBondContact O-N 3.03Å; V187-L362 HydrophobicContact CG2-CD1 4.32Å; V187-L362 HydrophobicContact CG2-CD2 4.18Å; V187-L366 HydrophobicContact CG2-CD1 4.48Å; V187-L388 HydrophobicContact CG2-CD2 4.25Å; V187-A392 HydrophobicContact CG1-CB 3.72Å |
| 188 | M | 94.5 | Very high | 92 | Very high | 74 Ų | 74 | 38 Ų | 38 | 37% | 0.365 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 177.1 | -175 | 178.6 | 59.4 | 0 | 0 | 112.1 | R184 D185 M186 F191 T192 V391 V395 | R184-M188 WeakPolarHBondContact O-CB 3.36Å; R184-M188 PolarHBondContact O-N 3.47Å; D185-M188 PolarHBondContact O-N 3.47Å; M186-M188 VanDerWaalsContact C-N 3.33Å; M186-M188 PolarHBondContact O-N 3.07Å; M188-F191 PolarHBondContact O-N 3.07Å; M188-T192 VanDerWaalsContact O-CB 3.3Å; M188-T192 WeakPolarHBondContact O-CB 3.15Å; M188-T192 PolarHBondContact O-N 3.37Å; M188-T192 PolarHBondContact O-OG1 3.16Å; M188-V391 HydrophobicContact CB-CG1 3.77Å; M188-V391 HydrophobicContact CG-CG1 4.46Å; M188-V395 HydrophobicContact CG-CG1 3.96Å; M188-V395 HydrophobicContact CG-CG2 4.37Å |
| 189 | V | 91.9 | Very high | 91.3 | Very high | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 178.9 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | L143 D185 M186 V187 R193 | L143-V189 HydrophobicContact CD1-CG2 3.83Å; L143-V189 HydrophobicContact CG-CG2 3.93Å; D185-V189 WeakPolarHBondContact O-CG2 3.24Å; D185-V189 PolarHBondContact O-N 3.33Å; D185-V189 VanDerWaalsContact O-N 3.12Å; M186-V189 PolarHBondContact O-N 3Å; V187-V189 PolarHBondContact O-N 3.47Å; V189-R193 WeakPolarHBondContact O-CG 3.36Å; V189-R193 PolarHBondContact O-N 3.32Å |
| 190 | I | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 179.9 | -64.6 | 167.6 | 0 | 0 | 0 | 110.7 | L142 V155 L159 M186 V187 R193 A359 L362 | L142-I190 HydrophobicContact CD2-CD1 4.18Å; L142-I190 HydrophobicContact CD2-CG1 4.32Å; V155-I190 HydrophobicContact CG1-CD1 3.67Å; V155-I190 HydrophobicContact CG1-CG1 4.4Å; L159-I190 HydrophobicContact CD1-CD1 3.84Å; M186-I190 WeakPolarHBondContact O-CG1 3.41Å; M186-I190 PolarHBondContact O-N 3.19Å; M186-I190 VanDerWaalsContact O-N 3.14Å; V187-I190 PolarHBondContact O-N 3.38Å; I190-R193 PolarHBondContact O-N 3.05Å; I190-A359 HydrophobicContact CG2-CB 3.97Å; I190-L362 HydrophobicContact CB-CD2 4.48Å; I190-L362 HydrophobicContact CD1-CD2 3.7Å; I190-L362 HydrophobicContact CG2-CD2 4.28Å |
| 191 | F | 93.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.6 | -32.2 | -176.2 | -84.7 | -92.8 | 0 | 0 | 0 | 113.9 | V187 M188 R193 L194 L362 M363 A392 V395 | V187-F191 HydrophobicContact CG1-CD2 3.91Å; V187-F191 HydrophobicContact CG1-CE2 4.33Å; V187-F191 WeakPolarHBondContact O-CD2 3.5Å; V187-F191 PolarHBondContact O-N 3.03Å; M188-F191 PolarHBondContact O-N 3.07Å; F191-R193 PolarHBondContact O-N 3.22Å; F191-L194 HydrophobicContact CD1-CD1 3.63Å; F191-L194 HydrophobicContact CD1-CG 4.23Å; F191-L194 HydrophobicContact CE1-CD1 4.08Å; F191-L194 WeakPolarHBondContact O-CB 3.37Å; F191-L194 WeakPolarHBondContact O-CG 3.41Å; F191-L194 PolarHBondContact O-N 3.45Å; F191-L194 VanDerWaalsContact O-N 3.11Å; F191-L362 HydrophobicContact CE2-CD2 3.91Å; F191-L362 HydrophobicContact CE2-CG 4.3Å; F191-M363 HydrophobicContact CE1-CE 3.64Å; F191-M363 HydrophobicContact CZ-CB 4.23Å; F191-M363 HydrophobicContact CZ-CE 3.98Å; F191-A392 HydrophobicContact CB-CB 4.34Å; F191-A392 HydrophobicContact CD1-CB 3.78Å; F191-A392 HydrophobicContact CD2-CB 3.62Å; F191-A392 HydrophobicContact CE1-CB 3.97Å; F191-A392 HydrophobicContact CE2-CB 3.8Å; F191-A392 HydrophobicContact CG-CB 3.61Å; F191-A392 HydrophobicContact CZ-CB 3.98Å; F191-V395 HydrophobicContact CB-CG2 3.76Å |
| 192 | T | 91.8 | Very high | 87.2 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.6 | -30.2 | 171.5 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | M188 L194 | M188-T192 VanDerWaalsContact O-CB 3.3Å; M188-T192 WeakPolarHBondContact O-CB 3.15Å; M188-T192 PolarHBondContact O-N 3.37Å; M188-T192 PolarHBondContact O-OG1 3.16Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L194 PolarHBondContact O-N 3.24Å |
| 193 | R | 90.4 | Very high | 85.8 | Confident | 55 Ų | 55 | 53 Ų | 53 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -78.3 | -5.7 | 178.1 | -71.5 | -175.7 | 68.4 | -142.7 | -5.6 | 114.9 | V189 I190 F191 S195 S196 F197 H354 | V189-R193 WeakPolarHBondContact O-CG 3.36Å; V189-R193 PolarHBondContact O-N 3.32Å; I190-R193 PolarHBondContact O-N 3.05Å; F191-R193 PolarHBondContact O-N 3.22Å; R193-S195 VanDerWaalsContact C-N 3.26Å; R193-S195 PolarHBondContact O-N 2.85Å; R193-S196 WeakPolarHBondContact O-CA 3.19Å; R193-S196 WeakPolarHBondContact O-CB 3.35Å; R193-S196 PolarHBondContact O-N 3.44Å; R193-S196 PolarHBondContact O-OG 3.45Å; R193-F197 HydrophobicContact CB-CE1 3.7Å; R193-F197 HydrophobicContact CB-CE2 4.41Å; R193-F197 HydrophobicContact CB-CZ 3.63Å; R193-F197 WeakPolarHBondContact O-CD1 3.4Å; R193-H354 PolarHBondContact NH1-CD2 3.47Å; R193-H354 VanDerWaalsContact NH1-CD2 3.3Å; R193-H354 PolarHBondContact NH1-CE1 3.21Å; R193-H354 VanDerWaalsContact NH1-CE1 3.31Å; R193-H354 PolarHBondContact NH1-NE2 3.05Å; R193-H354 PolarHBondContact NH1-O 2.92Å |
| 194 | L | 89.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -52.2 | -42.2 | -178.8 | -78.7 | -178.9 | 0 | 0 | 0 | 113.1 | F191 T192 S196 F197 I356 A359 G396 E399 I400 F403 L406 | F191-L194 HydrophobicContact CD1-CD1 3.63Å; F191-L194 HydrophobicContact CD1-CG 4.23Å; F191-L194 HydrophobicContact CE1-CD1 4.08Å; F191-L194 WeakPolarHBondContact O-CB 3.37Å; F191-L194 WeakPolarHBondContact O-CG 3.41Å; F191-L194 PolarHBondContact O-N 3.45Å; F191-L194 VanDerWaalsContact O-N 3.11Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L194 PolarHBondContact O-N 3.24Å; L194-S196 PolarHBondContact O-N 3.16Å; L194-S196 VanDerWaalsContact O-N 3.1Å; L194-F197 HydrophobicContact CD2-CD2 3.85Å; L194-F197 HydrophobicContact CD2-CE2 4.09Å; L194-F197 PolarHBondContact O-N 3.31Å; L194-I356 HydrophobicContact CD2-CD1 4.12Å; L194-A359 HydrophobicContact CD2-CB 4.24Å; L194-G396 WeakPolarHBondContact CD1-O 3.38Å; L194-E399 HydrophobicContact CB-CB 3.81Å; L194-E399 HydrophobicContact CB-CG 4.28Å; L194-E399 HydrophobicContact CD1-CB 4.34Å; L194-I400 HydrophobicContact CD1-CG1 4.01Å; L194-F403 HydrophobicContact CB-CE2 4.32Å; L194-F403 HydrophobicContact CD2-CE2 4.28Å; L194-F403 WeakPolarHBondContact O-CZ 3.3Å; L194-L406 HydrophobicContact CD1-CD1 4.48Å; L194-L406 HydrophobicContact CD2-CD1 3.9Å |
| 195 | S | 86 | Confident | 82.5 | Confident | 84 Ų | 84 | 55.2 Ų | 55.2 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -64.4 | -11.2 | 177.7 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | R193 | R193-S195 VanDerWaalsContact C-N 3.26Å; R193-S195 PolarHBondContact O-N 2.85Å |
| 196 | S | 86.1 | Confident | 80.8 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -101.1 | -6.4 | 175.2 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | R193 L194 | R193-S196 WeakPolarHBondContact O-CA 3.19Å; R193-S196 WeakPolarHBondContact O-CB 3.35Å; R193-S196 PolarHBondContact O-N 3.44Å; R193-S196 PolarHBondContact O-OG 3.45Å; L194-S196 PolarHBondContact O-N 3.16Å; L194-S196 VanDerWaalsContact O-N 3.1Å |
| 197 | F | 86.8 | Confident | 79.2 | Confident | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.096 | 33% | 0.328 | C | S | . | . | trans | -90 | 155.1 | -176.6 | -62.1 | -20.4 | 0 | 0 | 0 | 112.5 | R193 L194 I356 A359 F403 | R193-F197 HydrophobicContact CB-CE1 3.7Å; R193-F197 HydrophobicContact CB-CE2 4.41Å; R193-F197 HydrophobicContact CB-CZ 3.63Å; R193-F197 WeakPolarHBondContact O-CD1 3.4Å; L194-F197 HydrophobicContact CD2-CD2 3.85Å; L194-F197 HydrophobicContact CD2-CE2 4.09Å; L194-F197 PolarHBondContact O-N 3.31Å; F197-I356 HydrophobicContact CB-CD1 3.81Å; F197-I356 HydrophobicContact CB-CG1 3.87Å; F197-I356 HydrophobicContact CD2-CD1 3.74Å; F197-I356 HydrophobicContact CD2-CG1 4.2Å; F197-I356 HydrophobicContact CG-CD1 4.27Å; F197-I356 HydrophobicContact CG-CG1 4.44Å; F197-A359 HydrophobicContact CE2-CB 4.19Å; F197-F403 HydrophobicContact CB-CZ 4.33Å | ||
| 198 | V | 80.6 | Confident | 77.5 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 78% | 0.782 | 35% | 0.348 | S | S | * | . | trans | -128.4 | 132.2 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | D200 | V198-D200 PolarHBondContact O-N 3.33Š| ||
| 199 | E | 78.6 | Confident | 75.6 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 23% | 0.234 | 34% | 0.343 | C | S | . | . | trans | -91.9 | 90.7 | -179.4 | -170.5 | 169.8 | -106.6 | 0 | 0 | 110.7 | A201 F403 T404 L405 | E199-A201 PolarHBondContact O-N 3.49Å; E199-F403 HydrophobicContact CB-CD1 3.96Å; E199-F403 HydrophobicContact CB-CE1 4.33Å; E199-T404 VanDerWaalsContact CD-OG1 3.27Å; E199-T404 PolarHBondContact OE1-N 3.02Å; E199-T404 WeakPolarHBondContact OE2-CB 3.49Å; E199-T404 PolarHBondContact OE2-N 3.11Å; E199-T404 PolarHBondContact OE2-OG1 2.96Å; E199-L405 VanDerWaalsContact OE1-CB 3.28Å; E199-L405 WeakPolarHBondContact OE1-CB 3.37Å; E199-L405 WeakPolarHBondContact OE1-CG 3.43Å; E199-L405 PolarHBondContact OE1-N 3.35Å | ||
| 200 | D | 71.1 | Confident | 73.7 | Confident | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | trans | -80.9 | 110.8 | 173 | -179.5 | 13.6 | 0 | 0 | 0 | 111.3 | V198 R202 H203 | V198-D200 PolarHBondContact O-N 3.33Å; D200-R202 PolarHBondContact O-N 3.42Å; D200-R202 VanDerWaalsContact OD1-CB 3.29Å; D200-R202 WeakPolarHBondContact OD1-CB 3.43Å; D200-R202 VanDerWaalsContact OD1-CG 3.26Å; D200-R202 WeakPolarHBondContact OD1-CG 3.03Å; D200-R202 PolarHBondContact OD1-N 3.26Å; D200-H203 VanDerWaalsContact O-CB 3.23Å; D200-H203 WeakPolarHBondContact O-CB 3.24Å; D200-H203 PolarHBondContact O-N 3.06Å | ||
| 201 | A | 65.1 | Low | 71.7 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E199 | E199-A201 PolarHBondContact O-N 3.49Š|
| 202 | R | 61.2 | Low | 69.5 | Low | 184 Ų | 184 | 78.5 Ų | 78.5 | 69% | 0.694 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -14.8 | 176.6 | -51.5 | 168.9 | -173.1 | -157.1 | 1.7 | 113 | D200 R207 | D200-R202 PolarHBondContact O-N 3.42Å; D200-R202 VanDerWaalsContact OD1-CB 3.29Å; D200-R202 WeakPolarHBondContact OD1-CB 3.43Å; D200-R202 VanDerWaalsContact OD1-CG 3.26Å; D200-R202 WeakPolarHBondContact OD1-CG 3.03Å; D200-R202 PolarHBondContact OD1-N 3.26Å; R202-R207 WeakPolarHBondContact O-CD 3.45Å; R202-R207 PolarHBondContact O-NE 2.85Å |
| 203 | H | 64.3 | Low | 67.1 | Low | 65 Ų | 65 | 76.8 Ų | 76.8 | 30% | 0.301 | 40% | 0.404 | S | S | . | . | trans | -55.8 | 138 | -171.1 | -167.9 | -113.9 | 0 | 0 | 0 | 111.8 | D200 Y205 V206 R207 | D200-H203 VanDerWaalsContact O-CB 3.23Å; D200-H203 WeakPolarHBondContact O-CB 3.24Å; D200-H203 PolarHBondContact O-N 3.06Å; H203-Y205 PolarHBondContact O-N 3.43Å; H203-Y205 VanDerWaalsContact O-N 3.13Å; H203-V206 HydrophobicContact CB-CB 4.33Å; H203-V206 HydrophobicContact CB-CG2 3.99Å; H203-V206 WeakPolarHBondContact O-CA 3.46Å; H203-V206 WeakPolarHBondContact O-CB 3.35Å; H203-V206 PolarHBondContact O-N 2.74Å; H203-R207 PolarHBondContact O-N 3.46Å | ||
| 204 | P | 62.7 | Low | 64.5 | Low | 83 Ų | 83 | 77.1 Ų | 77.1 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.2 | -31.7 | -175.4 | -27.8 | 36.5 | 0 | 0 | 0 | 114.1 | R208 | P204-R208 WeakPolarHBondContact O-CB 3.04Å; P204-R208 WeakPolarHBondContact O-CG 3.14Å; P204-R208 PolarHBondContact O-N 2.75Å |
| 205 | Y | 61.1 | Low | 62 | Low | 41 Ų | 41 | 78.3 Ų | 78.3 | 16% | 0.161 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 173 | -179.2 | -92.3 | 0 | 0 | 0 | 112.3 | H203 R208 L209 P357 R360 E361 | H203-Y205 PolarHBondContact O-N 3.43Å; H203-Y205 VanDerWaalsContact O-N 3.13Å; Y205-R208 CarbonylContact O-C 3.44Å; Y205-R208 PolarHBondContact O-N 3.13Å; Y205-L209 HydrophobicContact CD1-CD1 3.78Å; Y205-L209 HydrophobicContact CE1-CD1 3.21Å; Y205-L209 HydrophobicContact CE2-CD1 4.48Å; Y205-L209 WeakPolarHBondContact O-CB 3.44Å; Y205-L209 PolarHBondContact O-N 2.82Å; Y205-P357 HydrophobicContact CD1-CB 3.63Å; Y205-P357 HydrophobicContact CD1-CG 4.12Å; Y205-P357 HydrophobicContact CD2-CB 4.29Å; Y205-P357 HydrophobicContact CE1-CB 3.95Å; Y205-P357 HydrophobicContact CG-CB 3.82Å; Y205-P357 HydrophobicContact CG-CG 4.38Å; Y205-R360 PolarHBondContact OH-NH1 2.86Å; Y205-E361 PolarHBondContact OH-OE2 2.78Å |
| 206 | V | 59.4 | Low | 59.8 | Low | 14 Ų | 14 | 82.5 Ų | 82.5 | 9% | 0.085 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | H203 R208 L209 I210 L405 | H203-V206 HydrophobicContact CB-CB 4.33Å; H203-V206 HydrophobicContact CB-CG2 3.99Å; H203-V206 WeakPolarHBondContact O-CA 3.46Å; H203-V206 WeakPolarHBondContact O-CB 3.35Å; H203-V206 PolarHBondContact O-N 2.74Å; V206-R208 VanDerWaalsContact C-N 3.35Å; V206-R208 PolarHBondContact O-N 3.5Å; V206-L209 CarbonylContact O-C 3.53Å; V206-L209 WeakPolarHBondContact O-CA 3.48Å; V206-L209 WeakPolarHBondContact O-CB 3.34Å; V206-L209 PolarHBondContact O-N 3.41Å; V206-I210 HydrophobicContact CG1-CD1 3.77Å; V206-I210 HydrophobicContact CG1-CG1 4.32Å; V206-I210 WeakPolarHBondContact O-CG1 3.4Å; V206-I210 PolarHBondContact O-N 2.73Å; V206-L405 HydrophobicContact CG2-CD1 3.79Å; V206-L405 HydrophobicContact CG2-CD2 4.5Å; V206-L405 HydrophobicContact CG2-CG 4.47Å |
| 207 | R | 61.6 | Low | 57.4 | Low | 162 Ų | 162 | 85.9 Ų | 85.9 | 61% | 0.611 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.7 | -43.7 | 174.9 | -72.9 | -179.2 | 169.4 | -177.7 | -1.5 | 111.8 | R202 H203 L209 A211 | R202-R207 WeakPolarHBondContact O-CD 3.45Å; R202-R207 PolarHBondContact O-NE 2.85Å; H203-R207 PolarHBondContact O-N 3.46Å; R207-L209 VanDerWaalsContact C-N 3.26Å; R207-L209 PolarHBondContact O-N 3.37Å; R207-A211 WeakPolarHBondContact O-CB 3.47Å; R207-A211 PolarHBondContact O-N 2.81Å |
| 208 | R | 60.6 | Low | 54.9 | Low | 112 Ų | 112 | 91 Ų | 91 | 42% | 0.423 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.3 | -30.6 | 171.9 | -79.2 | -169.7 | -74.4 | -179.5 | -1 | 112.3 | P204 Y205 V206 R212 E295 | P204-R208 WeakPolarHBondContact O-CB 3.04Å; P204-R208 WeakPolarHBondContact O-CG 3.14Å; P204-R208 PolarHBondContact O-N 2.75Å; Y205-R208 CarbonylContact O-C 3.44Å; Y205-R208 PolarHBondContact O-N 3.13Å; V206-R208 VanDerWaalsContact C-N 3.35Å; V206-R208 PolarHBondContact O-N 3.5Å; R208-R212 WeakPolarHBondContact O-CB 3.38Å; R208-R212 WeakPolarHBondContact O-CG 3.41Å; R208-R212 PolarHBondContact O-N 2.78Å; R208-E295 IonicContact NH1-OE2 3.47Å |
| 209 | L | 54.7 | Low | 52.8 | Low | 48 Ų | 48 | 90.3 Ų | 90.3 | 25% | 0.251 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -76.7 | -43.6 | 177.9 | -123.7 | 137 | 0 | 0 | 0 | 113.1 | Y205 V206 R207 R212 G213 L405 | Y205-L209 HydrophobicContact CD1-CD1 3.78Å; Y205-L209 HydrophobicContact CE1-CD1 3.21Å; Y205-L209 HydrophobicContact CE2-CD1 4.48Å; Y205-L209 WeakPolarHBondContact O-CB 3.44Å; Y205-L209 PolarHBondContact O-N 2.82Å; V206-L209 CarbonylContact O-C 3.53Å; V206-L209 WeakPolarHBondContact O-CA 3.48Å; V206-L209 WeakPolarHBondContact O-CB 3.34Å; V206-L209 PolarHBondContact O-N 3.41Å; R207-L209 VanDerWaalsContact C-N 3.26Å; R207-L209 PolarHBondContact O-N 3.37Å; L209-R212 CarbonylContact O-C 3.46Å; L209-R212 PolarHBondContact O-N 3.38Å; L209-G213 PolarHBondContact O-N 2.93Å; L209-L405 HydrophobicContact CD1-CD2 4.28Å |
| 210 | I | 51.2 | Low | 51.1 | Low | 120 Ų | 120 | 94 Ų | 94 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 173.7 | -65 | 168.6 | 0 | 0 | 0 | 109.6 | V206 R212 G213 A214 | V206-I210 HydrophobicContact CG1-CD1 3.77Å; V206-I210 HydrophobicContact CG1-CG1 4.32Å; V206-I210 WeakPolarHBondContact O-CG1 3.4Å; V206-I210 PolarHBondContact O-N 2.73Å; I210-R212 PolarHBondContact O-N 2.88Å; I210-G213 WeakPolarHBondContact O-CA 3.49Å; I210-G213 PolarHBondContact O-N 3.11Å; I210-A214 PolarHBondContact O-N 3.13Å |
| 211 | A | 50.3 | Low | 49.4 | Very low | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R207 G213 A215 | R207-A211 WeakPolarHBondContact O-CB 3.47Å; R207-A211 PolarHBondContact O-N 2.81Å; A211-G213 VanDerWaalsContact C-N 3.28Å; A211-G213 PolarHBondContact O-N 2.77Å; A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 3.3Å |
| 212 | R | 45.8 | Very low | 47.9 | Very low | 120 Ų | 120 | 98.9 Ų | 98.9 | 45% | 0.453 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.7 | -21.5 | 171.6 | -79.3 | 175.4 | 179.5 | -167.5 | 1.7 | 112.6 | R208 L209 I210 R216 E295 | R208-R212 WeakPolarHBondContact O-CB 3.38Å; R208-R212 WeakPolarHBondContact O-CG 3.41Å; R208-R212 PolarHBondContact O-N 2.78Å; L209-R212 CarbonylContact O-C 3.46Å; L209-R212 PolarHBondContact O-N 3.38Å; I210-R212 PolarHBondContact O-N 2.88Å; R212-R216 WeakPolarHBondContact O-CB 3.42Å; R212-R216 PolarHBondContact O-N 2.87Å; R212-E295 IonicContact NH2-OE1 3.28Å; R212-E295 PolarHBondContact NH2-OE1 3.17Å |
| 213 | G | 41.4 | Very low | 46.5 | Very low | 41 Ų | 41 | 96.5 Ų | 96.5 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.2 | -63.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L209 I210 A211 A215 R216 | L209-G213 PolarHBondContact O-N 2.93Å; I210-G213 WeakPolarHBondContact O-CA 3.49Å; I210-G213 PolarHBondContact O-N 3.11Å; A211-G213 VanDerWaalsContact C-N 3.28Å; A211-G213 PolarHBondContact O-N 2.77Å; G213-A215 VanDerWaalsContact C-N 3.31Å; G213-A215 PolarHBondContact O-N 3.36Å; G213-R216 WeakPolarHBondContact O-CB 3.46Å; G213-R216 PolarHBondContact O-N 3.22Å |
| 214 | A | 37.1 | Very low | 45.3 | Very low | 62 Ų | 62 | 98.8 Ų | 98.8 | 51% | 0.512 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.3 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | I210 R216 E217 E218 | I210-A214 PolarHBondContact O-N 3.13Å; A214-R216 PolarHBondContact O-N 3.38Å; A214-E217 WeakPolarHBondContact O-CB 3.28Å; A214-E217 PolarHBondContact O-N 3.08Å; A214-E218 PolarHBondContact O-N 2.98Å |
| 215 | A | 37.2 | Very low | 43.7 | Very low | 26 Ų | 26 | 101.3 Ų | 101.3 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -72.8 | -7.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | A211 G213 R219 | A211-A215 WeakPolarHBondContact O-CB 3.48Å; A211-A215 PolarHBondContact O-N 3.3Å; G213-A215 VanDerWaalsContact C-N 3.31Å; G213-A215 PolarHBondContact O-N 3.36Å; A215-R219 WeakPolarHBondContact O-CA 3.31Å; A215-R219 WeakPolarHBondContact O-CB 3.17Å; A215-R219 WeakPolarHBondContact O-CD 3.2Å; A215-R219 WeakPolarHBondContact O-CG 3.46Å; A215-R219 PolarHBondContact O-N 3.21Å |
| 216 | R | 38.4 | Very low | 42.1 | Very low | 172 Ų | 172 | 108.5 Ų | 108.5 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -79.3 | -26 | 170.8 | -165.5 | 174.4 | -167.1 | -167.3 | 4.1 | 110.9 | R212 G213 A214 K220 | R212-R216 WeakPolarHBondContact O-CB 3.42Å; R212-R216 PolarHBondContact O-N 2.87Å; G213-R216 WeakPolarHBondContact O-CB 3.46Å; G213-R216 PolarHBondContact O-N 3.22Å; A214-R216 PolarHBondContact O-N 3.38Å; R216-K220 WeakPolarHBondContact O-CB 3.38Å; R216-K220 VanDerWaalsContact O-CG 3.29Å; R216-K220 WeakPolarHBondContact O-CG 3.37Å; R216-K220 PolarHBondContact O-N 3.18Å; R216-K220 VanDerWaalsContact O-N 3.16Å |
| 217 | E | 36.9 | Very low | 40.6 | Very low | 145 Ų | 145 | 118.1 Ų | 118.1 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.8 | -52.2 | 167.4 | -55.2 | -168.6 | 131 | 0 | 0 | 109.9 | A214 R219 K220 H221 | A214-E217 WeakPolarHBondContact O-CB 3.28Å; A214-E217 PolarHBondContact O-N 3.08Å; E217-R219 PolarHBondContact O-N 3.44Å; E217-K220 WeakPolarHBondContact O-CB 3.4Å; E217-K220 PolarHBondContact O-N 3.27Å; E217-H221 PolarHBondContact O-N 2.93Å |
| 218 | E | 34.4 | Very low | 39 | Very low | 130 Ų | 130 | 115.4 Ų | 115.4 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -34.9 | 177.3 | -66.5 | -162.1 | 126 | 0 | 0 | 114.1 | A214 H221 R222 | A214-E218 PolarHBondContact O-N 2.98Å; E218-H221 WeakPolarHBondContact O-CB 3.42Å; E218-H221 PolarHBondContact O-N 2.91Å; E218-R222 PolarHBondContact O-N 3.29Å |
| 219 | R | 36.5 | Very low | 37.3 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 43% | 0.434 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -77.6 | -22.5 | 177.4 | -70.7 | 171.4 | 168.4 | -158.4 | -4.8 | 113 | A215 E217 H221 R222 K223 T294 | A215-R219 WeakPolarHBondContact O-CA 3.31Å; A215-R219 WeakPolarHBondContact O-CB 3.17Å; A215-R219 WeakPolarHBondContact O-CD 3.2Å; A215-R219 WeakPolarHBondContact O-CG 3.46Å; A215-R219 PolarHBondContact O-N 3.21Å; E217-R219 PolarHBondContact O-N 3.44Å; R219-H221 VanDerWaalsContact C-N 3.29Å; R219-R222 PolarHBondContact O-N 2.96Å; R219-K223 PolarHBondContact O-N 3.43Å; R219-T294 PolarHBondContact NH1-OG1 3.26Å |
| 220 | K | 41.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 123 Ų | 123 | 55% | 0.548 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.1 | -36.3 | 163.4 | -86.9 | 175.8 | 175.2 | -178.6 | 0 | 111.1 | R216 E217 N836 | R216-K220 WeakPolarHBondContact O-CB 3.38Å; R216-K220 VanDerWaalsContact O-CG 3.29Å; R216-K220 WeakPolarHBondContact O-CG 3.37Å; R216-K220 PolarHBondContact O-N 3.18Å; R216-K220 VanDerWaalsContact O-N 3.16Å; E217-K220 WeakPolarHBondContact O-CB 3.4Å; E217-K220 PolarHBondContact O-N 3.27Å; K220-N836 PolarHBondContact O-ND2 3.48Å |
| 221 | H | 36.9 | Very low | 34.8 | Very low | 46 Ų | 46 | 125.5 Ų | 125.5 | 21% | 0.213 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -67.9 | -43.4 | 170.6 | -69.9 | -24.4 | 0 | 0 | 0 | 112.3 | E217 E218 R219 L832 | E217-H221 PolarHBondContact O-N 2.93Å; E218-H221 WeakPolarHBondContact O-CB 3.42Å; E218-H221 PolarHBondContact O-N 2.91Å; R219-H221 VanDerWaalsContact C-N 3.29Å; H221-L832 HydrophobicContact CB-CD1 3.78Å; H221-L832 VanDerWaalsContact ND1-CB 3.27Å; H221-L832 WeakPolarHBondContact ND1-CB 3.37Å |
| 222 | R | 32.2 | Very low | 33.6 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 77% | 0.774 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.1 | -48.7 | -175.1 | -77.3 | -171.7 | 172.3 | -168.3 | -0.9 | 116.3 | E218 R219 R224 K225 | E218-R222 PolarHBondContact O-N 3.29Å; R219-R222 PolarHBondContact O-N 2.96Å; R222-R224 PolarHBondContact O-N 3.05Å; R222-R224 VanDerWaalsContact O-N 3.14Å; R222-K225 PolarHBondContact O-N 2.92Å; R222-K225 VanDerWaalsContact O-N 3.16Å |
| 223 | K | 33.4 | Very low | 32.6 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.3 | -24.9 | -172.2 | -92 | -161.1 | 173.1 | -167.8 | 0 | 113.4 | R219 K225 K226 | R219-K223 PolarHBondContact O-N 3.43Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 3.37Å; K223-K226 PolarHBondContact O-N 2.69Å |
| 224 | R | 37.4 | Very low | 31.9 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 43% | 0.426 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -11.1 | 177.9 | -104.7 | 175.7 | 168.3 | -150.3 | 0.1 | 115.7 | R222 K226 R835 N836 | R222-R224 PolarHBondContact O-N 3.05Å; R222-R224 VanDerWaalsContact O-N 3.14Å; R224-K226 VanDerWaalsContact C-N 3.28Å; R224-K226 PolarHBondContact O-N 2.82Å; R224-R835 VanDerWaalsContact NH1-C 3.31Å; R224-R835 PolarHBondContact NH1-O 3.18Å; R224-N836 WeakPolarHBondContact CD-OD1 3.45Å; R224-N836 PolarHBondContact NH1-OD1 2.81Å |
| 225 | K | 30.5 | Very low | 31.2 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 60% | 0.596 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -10.7 | 171.2 | -74.9 | -165.7 | 177 | -175.4 | 0 | 114.1 | R222 K223 E828 | R222-K225 PolarHBondContact O-N 2.92Å; R222-K225 VanDerWaalsContact O-N 3.16Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 3.37Å; K225-E828 WeakPolarHBondContact CE-OE1 3.39Å; K225-E828 IonicContact NZ-OE1 3.08Å; K225-E828 PolarHBondContact NZ-OE1 3.45Å |
| 226 | K | 26.9 | Very low | 30.7 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -109 | -4.6 | -178 | -121.2 | -177.6 | -179.4 | -175.6 | 0 | 115.3 | K223 R224 | K223-K226 PolarHBondContact O-N 2.69Å; R224-K226 VanDerWaalsContact C-N 3.28Å; R224-K226 PolarHBondContact O-N 2.82Å |
| 227 | W | 28.1 | Very low | 30.1 | Very low | 215 Ų | 215 | 145 Ų | 145 | 81% | 0.814 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -108.3 | 34.3 | -174.7 | -118 | 69.8 | 0 | 0 | 0 | 113.2 | ||
| 228 | N | 26.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 56% | 0.561 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -131 | 28.8 | -169.5 | -133.9 | 90 | 0 | 0 | 0 | 113.7 | R835 | N228-R835 PolarHBondContact OD1-NH2 3.4Š|
| 229 | Y | 26.1 | Very low | 29.1 | Very low | 242 Ų | 242 | 145.2 Ų | 145.2 | 95% | 0.949 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -145.4 | 118.1 | 167.3 | -119.8 | -92.9 | 0 | 0 | 0 | 106.9 | ||
| 230 | G | 25.6 | Very low | 28.7 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 114.7 | 32.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 231 | Q | 27.5 | Very low | 27.9 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -148.3 | 80.6 | 156.6 | -124.4 | 176.1 | 13.6 | 0 | 0 | 112.3 | ||||
| 232 | Q | 24 | Very low | 27.4 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -124.3 | 143.8 | 158.8 | -77.9 | -174.4 | -19.1 | 0 | 0 | 107.2 | ||||
| 233 | Q | 25.5 | Very low | 27.2 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 68.6 | 134.6 | -166.8 | -44.4 | 178.2 | 10.7 | 0 | 0 | 112 | ||||
| 234 | T | 26.7 | Very low | 26.9 | Very low | 129 Ų | 129 | 148 Ų | 148 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | cis | -128.4 | 140 | 1.8 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 235 | S | 23.2 | Very low | 26.5 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -156.7 | 88.7 | 166.3 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 236 | S | 25.5 | Very low | 26.2 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -154.7 | 106.4 | 178.7 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 237 | L | 27.4 | Very low | 26.2 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | 164.1 | 94.6 | 133.1 | -89.2 | 162.8 | 0 | 0 | 0 | 111.3 | ||||
| 238 | T | 24.8 | Very low | 26.1 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -146.8 | 70.9 | 165.2 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 239 | T | 24.6 | Very low | 26 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -158.2 | 113.8 | 161.6 | -0.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 240 | A | 27.3 | Very low | 26.2 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -177.8 | 133.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 241 | E | 26.3 | Very low | 26.2 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -134.2 | 157.5 | 174.1 | -154.9 | -168.5 | -118.3 | 0 | 0 | 108.7 | ||||
| 242 | Q | 26.4 | Very low | 26.1 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 69 | 109.9 | 167.7 | -50.7 | 179.8 | 19.5 | 0 | 0 | 118.2 | ||||
| 243 | T | 28.1 | Very low | 26.4 | Very low | 152 Ų | 152 | 136 Ų | 136 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | -161.5 | 161.1 | 106.5 | 14.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 244 | A | 27.2 | Very low | 26.3 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -132.3 | 148.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 245 | S | 27.6 | Very low | 26.4 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | -169.2 | 147.1 | 126.8 | -148.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 246 | E | 24.4 | Very low | 26.5 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 42.8 | 140.4 | 148.4 | -67.4 | 151.5 | 151.7 | 0 | 0 | 120.5 | ||||
| 247 | K | 28.3 | Very low | 26.7 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | cis | -162.4 | 159.6 | 33.2 | -145 | 170.1 | -175.1 | -85.1 | 0 | 111.7 | ||||
| 248 | E | 25.4 | Very low | 26.5 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | 19.6 | 151.5 | 150.3 | -69 | 154.6 | -162.4 | 0 | 0 | 122.4 | ||||
| 249 | M | 25.2 | Very low | 26.6 | Very low | 160 Ų | 160 | 136 Ų | 136 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | cis | 180 | 161.1 | -15 | -179.3 | 163.9 | 63 | 0 | 0 | 108.4 | ||||
| 250 | S | 28.8 | Very low | 26.8 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 70.1 | 161.8 | 165.1 | 68.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 251 | V | 27.1 | Very low | 26.7 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | -179.5 | 143 | -51.4 | 136.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 252 | D | 25.4 | Very low | 26.7 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | 61.6 | 155.4 | 169.3 | -62.8 | -8.8 | 0 | 0 | 0 | 118.4 | ||||
| 253 | S | 28.6 | Very low | 26.7 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -157.9 | 161.8 | -9 | -116.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 254 | E | 24.7 | Very low | 26.6 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | 30 | 123 | 149.3 | -58.8 | -174.5 | 138.4 | 0 | 0 | 125.1 | ||||
| 255 | A | 28.4 | Very low | 26.7 | Very low | 84 Ų | 84 | 129.5 Ų | 129.5 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | trans | 14.6 | 133 | 141.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 256 | N | 25.9 | Very low | 26.7 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | -175.7 | 135.3 | 106.7 | -99.7 | -28.5 | 0 | 0 | 0 | 116.6 | |||||
| 257 | V | 28 | Very low | 27.1 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | 45.1 | 123.6 | 128.8 | -176.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 258 | E | 25 | Very low | 27.1 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 84 | 131.4 | 148.5 | -81.7 | 175.8 | -169.3 | 0 | 0 | 126 | ||||
| 259 | L | 26.8 | Very low | 27.5 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 70.3 | 102.2 | 137.5 | -68.6 | 166.5 | 0 | 0 | 0 | 124.3 | ||||
| 260 | A | 27.2 | Very low | 27.5 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 76.9 | 131.7 | 120 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 261 | G | 25.2 | Very low | 27.7 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 90 | 150.9 | 161 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 262 | N | 26.8 | Very low | 27.8 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | cis | -166.6 | 152 | -14.3 | -140.4 | 36 | 0 | 0 | 0 | 109.8 | ||||
| 263 | E | 25.7 | Very low | 28 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | 55.7 | 153.7 | 156.9 | -68.9 | 146.9 | 175.9 | 0 | 0 | 118.6 | ||||
| 264 | D | 26.5 | Very low | 28 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | cis | -156 | 162.2 | -8 | -111.1 | -24.8 | 0 | 0 | 0 | 106.4 | ||||
| 265 | S | 30.6 | Very low | 28.2 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | -174.4 | 141.3 | 60.1 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 266 | T | 27.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | 51.4 | 133.2 | 142.6 | 61.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 267 | S | 32.5 | Very low | 29.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | -166 | 140.9 | 58.5 | 36.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 268 | N | 27.1 | Very low | 30.2 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | 6.5 | 131.9 | 159.2 | -50.8 | 3.7 | 0 | 0 | 0 | 122.1 | ||||
| 269 | A | 34.3 | Very low | 31 | Very low | 103 Ų | 103 | 120 Ų | 120 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | -155.7 | 122.3 | 120.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 270 | D | 25 | Very low | 31.8 | Very low | 151 Ų | 151 | 114.5 Ų | 114.5 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -73.1 | 140.5 | 168 | -65.1 | -76.9 | 0 | 0 | 0 | 110.9 | ||||
| 271 | H | 33.7 | Very low | 32.2 | Very low | 199 Ų | 199 | 113.5 Ų | 113.5 | 92% | 0.921 | 67% | 0.674 | S | S | * | * | trans | -147.6 | 157.5 | 151.4 | -107.2 | 39.6 | 0 | 0 | 0 | 111 | ||||
| 272 | Q | 30.1 | Very low | 32.4 | Very low | 185 Ų | 185 | 114.9 Ų | 114.9 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | -83.5 | 153.6 | -164.5 | -64.8 | 168.2 | -36.4 | 0 | 0 | 113.3 | G274 | Q272-G274 PolarHBondContact O-N 3.33Š| ||
| 273 | P | 29 | Very low | 32.3 | Very low | 133 Ų | 133 | 112.1 Ų | 112.1 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | trans | -72 | 115.4 | 165.5 | 30.4 | -32.2 | 0 | 0 | 0 | 109.9 | ||||
| 274 | G | 28.4 | Very low | 32.4 | Very low | 66 Ų | 66 | 108.6 Ų | 108.6 | 68% | 0.68 | 66% | 0.66 | S | S | * | * | trans | -99 | 154 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q272 A276 | Q272-G274 PolarHBondContact O-N 3.33Å; G274-A276 PolarHBondContact O-N 2.97Å | ||
| 275 | D | 29.3 | Very low | 32.4 | Very low | 173 Ų | 173 | 110.3 Ų | 110.3 | 93% | 0.925 | 67% | 0.67 | S | S | * | * | trans | -57.6 | 118.1 | -176.3 | -67.3 | -61.7 | 0 | 0 | 0 | 112.6 | ||||
| 276 | A | 34.8 | Very low | 32.1 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 58% | 0.579 | 67% | 0.666 | S | S | * | * | trans | -96.2 | 93.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G121 G274 | G121-A276 PolarHBondContact N-O 2.81Å; G274-A276 PolarHBondContact O-N 2.97Å | ||
| 277 | V | 40 | Very low | 32.2 | Very low | 68 Ų | 68 | 105 Ų | 105 | 41% | 0.412 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.7 | 160.1 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | D279 | V277-D279 VanDerWaalsContact C-N 3.26Å; V277-D279 PolarHBondContact O-N 3.25Å |
| 278 | M | 49.1 | Very low | 32.1 | Very low | 63 Ų | 63 | 102.6 Ų | 102.6 | 31% | 0.31 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 82.8 | 174.1 | -93.3 | -151 | 67.2 | 0 | 0 | 109.4 | F119 D127 L131 V280 | F119-M278 HydrophobicContact CD2-CB 4.49Å; F119-M278 HydrophobicContact CE2-CB 4.07Å; F119-M278 HydrophobicContact CE2-SD 4.43Å; F119-M278 HydrophobicContact CZ-CB 4.25Å; F119-M278 HydrophobicContact CZ-SD 4.44Å; F119-M278 PolarHBondContact O-N 3.42Å; F119-M278 VanDerWaalsContact O-N 3.1Å; D127-M278 HydrophobicContact CB-SD 3.54Å; D127-M278 VanDerWaalsContact CB-SD 3.54Å; L131-M278 HydrophobicContact CD1-CE 4.42Å; M278-V280 PolarHBondContact O-N 2.7Å |
| 279 | D | 41.9 | Very low | 32 | Very low | 86 Ų | 86 | 102.4 Ų | 102.4 | 46% | 0.46 | 62% | 0.623 | S | S | . | * | trans | -75.5 | 110.9 | -177.1 | -154.6 | 1.2 | 0 | 0 | 0 | 110.4 | R118 V277 H281 | R118-D279 IonicContact CZ-OD1 2.75Å; R118-D279 IonicContact NE-OD1 3.18Å; R118-D279 IonicContact NH1-OD1 3.74Å; R118-D279 PolarHBondContact NH1-OD1 3.28Å; R118-D279 IonicContact NH1-OD2 2.93Å; R118-D279 IonicContact NH2-OD1 2.75Å; V277-D279 VanDerWaalsContact C-N 3.26Å; V277-D279 PolarHBondContact O-N 3.25Å; D279-H281 PolarHBondContact O-N 3.43Å; D279-H281 IonicContact OD1-CD2 3.86Å; D279-H281 IonicContact OD1-CG 2.93Å | ||
| 280 | V | 43.6 | Very low | 31.8 | Very low | 30 Ų | 30 | 104.3 Ų | 104.3 | 18% | 0.182 | 62% | 0.619 | C | S | . | * | trans | -78 | 40.1 | -179.4 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | A117 R164 M278 | A117-V280 WeakPolarHBondContact O-CG2 3.33Å; R164-V280 VanDerWaalsContact CZ-O 3.29Å; R164-V280 PolarHBondContact NH1-O 2.94Å; R164-V280 VanDerWaalsContact NH2-C 3.28Å; R164-V280 PolarHBondContact NH2-O 3.43Å; M278-V280 PolarHBondContact O-N 2.7Å | ||
| 281 | H | 36.4 | Very low | 32.2 | Very low | 78 Ų | 78 | 100.9 Ų | 100.9 | 36% | 0.361 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -117.4 | 161.5 | -173 | -94.3 | -104.4 | 0 | 0 | 0 | 112.9 | R118 R164 D279 G283 | R118-H281 PolarHBondContact NH2-CD2 3.19Å; R118-H281 PolarHBondContact NH2-CE1 2.91Å; R118-H281 VanDerWaalsContact NH2-CE1 3.29Å; R118-H281 VanDerWaalsContact NH2-CG 3.31Å; R118-H281 PolarHBondContact NH2-ND1 3.04Å; R118-H281 PolarHBondContact NH2-NE2 2.91Å; R164-H281 VanDerWaalsContact NH2-C 3.32Å; R164-H281 PolarHBondContact NH2-O 2.81Å; D279-H281 PolarHBondContact O-N 3.43Å; D279-H281 IonicContact OD1-CD2 3.86Å; D279-H281 IonicContact OD1-CG 2.93Å; H281-G283 PolarHBondContact O-N 3.26Å |
| 282 | P | 27.9 | Very low | 32 | Very low | 102 Ų | 102 | 97.4 Ų | 97.4 | 66% | 0.662 | 59% | 0.59 | S | S | * | * | trans | -73.5 | 120.5 | -169.1 | 28.3 | -33.6 | 0 | 0 | 0 | 111 | ||||
| 283 | G | 25.9 | Very low | 31.8 | Very low | 70 Ų | 70 | 94.8 Ų | 94.8 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | trans | -159.3 | 30.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H281 | H281-G283 PolarHBondContact O-N 3.26Š| ||
| 284 | T | 26.5 | Very low | 31.7 | Very low | 82 Ų | 82 | 91.6 Ų | 91.6 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -154.7 | 135.9 | 164 | -67.7 | 0 | 0 | 0 | 0 | 107.7 | R170 A286 | R170-T284 PolarHBondContact NH2-OG1 2.9Å; R170-T284 VanDerWaalsContact NH2-OG1 3.14Å; T284-A286 PolarHBondContact O-N 2.7Å |
| 285 | D | 26.1 | Very low | 31.6 | Very low | 176 Ų | 176 | 94.8 Ų | 94.8 | 94% | 0.941 | 55% | 0.553 | S | S | * | * | trans | -73.4 | 59.7 | -171.6 | -69.8 | -69.2 | 0 | 0 | 0 | 114.2 | ||||
| 286 | A | 24.5 | Very low | 31.4 | Very low | 70 Ų | 70 | 96.9 Ų | 96.9 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | trans | -125.9 | 99.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T284 | T284-A286 PolarHBondContact O-N 2.7Š| ||
| 287 | S | 30.2 | Very low | 30.9 | Very low | 38 Ų | 38 | 102.5 Ų | 102.5 | 27% | 0.266 | 57% | 0.568 | S | S | . | * | S | Bend | trans | 55.6 | 82.9 | 144.6 | 63.1 | 0 | 0 | 0 | 0 | 120.3 | Q376 | S287-Q376 VanDerWaalsContact CB-CD 3.5Š|
| 288 | A | 30.4 | Very low | 30.2 | Very low | 61 Ų | 61 | 107.2 Ų | 107.2 | 50% | 0.504 | 59% | 0.59 | S | S | . | * | trans | -157.8 | -39.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N290 | A288-N290 PolarHBondContact O-N 3.4Š| ||
| 289 | E | 25.8 | Very low | 29 | Very low | 147 Ų | 147 | 110.2 Ų | 110.2 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -74.1 | -16.9 | -151 | -61.5 | -173.4 | 129.2 | 0 | 0 | 116.7 | V291 I292 | E289-V291 PolarHBondContact O-N 2.82Å; E289-I292 PolarHBondContact O-N 3.06Å |
| 290 | N | 30 | Very low | 28.1 | Very low | 142 Ų | 142 | 111.4 Ų | 111.4 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -65.4 | 7.4 | -174.3 | -101.7 | -58.8 | 0 | 0 | 0 | 116.1 | A288 | A288-N290 PolarHBondContact O-N 3.4Š|
| 291 | V | 33 | Very low | 27.3 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -121.4 | -11.8 | 173.9 | -160 | 0 | 0 | 0 | 0 | 113.8 | E289 | E289-V291 PolarHBondContact O-N 2.82Š|
| 292 | I | 29.2 | Very low | 26.8 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 64% | 0.641 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -122 | 39.2 | -176.8 | -43.4 | -179.5 | 0 | 0 | 0 | 111.8 | E289 | E289-I292 PolarHBondContact O-N 3.06Š|
| 293 | E | 25.7 | Very low | 26.8 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | trans | -115.9 | 106 | 167 | -81.8 | -151.5 | 130.4 | 0 | 0 | 112.3 | ||||
| 294 | T | 26.1 | Very low | 26.8 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 41% | 0.405 | 70% | 0.696 | S | S | . | * | S | Bend | trans | 177.9 | 59.4 | 138.5 | 24.2 | 0 | 0 | 0 | 0 | 111.7 | R219 | R219-T294 PolarHBondContact NH1-OG1 3.26Š|
| 295 | E | 26.3 | Very low | 26.9 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | trans | -157.8 | 63.1 | 173.2 | -109.8 | 151 | -97.6 | 0 | 0 | 111.5 | R208 R212 | R208-E295 IonicContact NH1-OE2 3.47Å; R212-E295 IonicContact NH2-OE1 3.28Å; R212-E295 PolarHBondContact NH2-OE1 3.17Å | ||
| 296 | K | 25 | Very low | 27 | Very low | 216 Ų | 216 | 123.9 Ų | 123.9 | 94% | 0.939 | 69% | 0.693 | S | S | * | * | trans | -165.1 | 74.2 | 165.3 | -116.4 | 171.5 | -172.5 | 176.5 | 0 | 112.7 | ||||
| 297 | E | 25.6 | Very low | 27.1 | Very low | 189 Ų | 189 | 126.5 Ų | 126.5 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | -151 | 65 | 170.6 | -147.6 | 176.6 | -143.1 | 0 | 0 | 111.2 | ||||
| 298 | L | 24.9 | Very low | 27 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 87% | 0.869 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -160.3 | 130.5 | 154.1 | -141.3 | 77.2 | 0 | 0 | 0 | 110 | ||
| 299 | C | 23 | Very low | 26.8 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 86% | 0.858 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 62.2 | 132 | -172.5 | -61.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 300 | S | 24.8 | Very low | 27 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | cis | -153.3 | 133.9 | 1.9 | 54.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 301 | E | 25.6 | Very low | 26.9 | Very low | 199 Ų | 199 | 131.5 Ų | 131.5 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -102.2 | 127.1 | 158.7 | -72.8 | -169.1 | 139 | 0 | 0 | 110.4 | ||||
| 302 | Q | 26.9 | Very low | 26.6 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -124.9 | 152 | 154.9 | -62.1 | -174.4 | -14 | 0 | 0 | 105.4 | ||||
| 303 | A | 26.9 | Very low | 26.3 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | cis | -155.3 | 166.4 | 15.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 304 | T | 25.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | trans | 70 | 148.1 | 158.3 | 62.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 305 | A | 28.4 | Very low | 26.5 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | cis | -143.9 | 160.1 | 18.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 306 | T | 28.3 | Very low | 27.2 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | 62.1 | 114.3 | 150.6 | 47 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 307 | T | 27.3 | Very low | 27.3 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 139.8 | 138.4 | 54.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 308 | D | 28.5 | Very low | 27.4 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | -147.6 | -177 | 13.4 | -137 | -37.4 | 0 | 0 | 0 | 113.9 | ||||
| 309 | S | 26 | Very low | 27.5 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -91.5 | 151 | -163.5 | -50.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 310 | A | 29.7 | Very low | 27.7 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | 149.9 | 115.1 | 116.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 311 | N | 27.3 | Very low | 27.8 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | 56.5 | 137.3 | 128.5 | -69.9 | 3.6 | 0 | 0 | 0 | 125.5 | |||||
| 312 | V | 27.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | trans | 72.5 | 141.8 | 137.1 | 162.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 313 | E | 23.8 | Very low | 28 | Very low | 168 Ų | 168 | 121.9 Ų | 121.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | cis | -173.6 | -161.3 | -19.9 | -168.5 | 164.8 | -141.6 | 0 | 0 | 105.8 | ||||
| 314 | V | 27.7 | Very low | 28.1 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 83.4 | 109.7 | 162.9 | -168.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 315 | N | 28.4 | Very low | 28.2 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | -116.8 | 168.2 | 152.1 | -165.6 | 34 | 0 | 0 | 0 | 104.8 | ||||
| 316 | P | 40.1 | Very low | 27.9 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 60% | 0.597 | 73% | 0.73 | S | S | * | * | cis | -130.6 | -153.4 | -3.4 | 21.1 | 7.2 | 0 | 0 | 0 | 112.4 | ||||
| 317 | E | 26.8 | Very low | 28.4 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | 81.4 | 147.2 | 152.7 | -57.1 | -142.8 | 115 | 0 | 0 | 117.5 | ||||
| 318 | Q | 28.7 | Very low | 28.4 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | cis | -161.1 | 167.8 | -0.1 | -129.7 | -179.1 | 34.6 | 0 | 0 | 112.4 | ||||
| 319 | T | 25.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | 63.5 | 150.8 | 147 | 53.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 320 | S | 27.4 | Very low | 28.3 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | cis | -171.5 | 159.4 | -20.6 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 321 | S | 26.2 | Very low | 28.2 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | trans | 65.2 | 161.6 | 139.2 | 78.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 322 | D | 29 | Very low | 28.3 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | cis | -143.4 | 173.2 | 11.6 | -92.1 | -68.4 | 0 | 0 | 0 | 110.2 | ||||
| 323 | Q | 28 | Very low | 28.3 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | cis | 177.5 | 172.7 | -38.8 | -107.5 | -160 | 34.2 | 0 | 0 | 108.4 | ||||
| 324 | R | 29.1 | Very low | 28.9 | Very low | 229 Ų | 229 | 132 Ų | 132 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | 79 | 146.9 | 166.8 | -51.2 | -177.7 | 178.5 | -171.3 | -2.6 | 116.8 | ||||
| 325 | S | 28.6 | Very low | 28.8 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | cis | -171.7 | 141.4 | -17.5 | 48.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 326 | S | 22.8 | Very low | 28.8 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | cis | 70.4 | 144 | 45.1 | -47.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 327 | P | 36.9 | Very low | 28.4 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | cis | -141.8 | -164 | -10.7 | 42.5 | -22.5 | 0 | 0 | 0 | 115.7 | ||||
| 328 | S | 27.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 75 | 164.5 | 151.9 | 73.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 329 | S | 26.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | 177.7 | 142.2 | -65.7 | 55.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 330 | E | 25.8 | Very low | 28.3 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | trans | 168 | 145.7 | 135.4 | -98.8 | -159.6 | 128.1 | 0 | 0 | 114.5 | ||||
| 331 | K | 28.4 | Very low | 28.3 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 73% | 0.726 | 77% | 0.773 | S | S | * | * | trans | 62.7 | 140 | 155.3 | -65.8 | 154.7 | -176.6 | 150.6 | 0 | 118.4 | ||||
| 332 | S | 30.1 | Very low | 28.2 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | -162.5 | 141.3 | -5.6 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 333 | R | 25.6 | Very low | 28.1 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -1.4 | 164 | 149.8 | -81.3 | -176 | 162.6 | 178.6 | -5.8 | 121 | ||||
| 334 | P | 37.9 | Very low | 28.2 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | cis | -144.4 | 165.7 | -31.3 | 39.4 | -22.5 | 0 | 0 | 0 | 115.5 | ||||
| 335 | E | 25.2 | Very low | 28.2 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 171.2 | 175.9 | 128.1 | -98 | -177.8 | 170.9 | 0 | 0 | 113.7 | |||||
| 336 | E | 28.9 | Very low | 28.1 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | 71.5 | 118.4 | 168.1 | -59.3 | -142.7 | 117.2 | 0 | 0 | 122.9 | ||||
| 337 | V | 31.7 | Very low | 28.3 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | 60.8 | 130.9 | 129.3 | 177.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 338 | N | 27.6 | Very low | 27.9 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | cis | -162.1 | 175.6 | -29.6 | -149 | -22.1 | 0 | 0 | 0 | 109.9 | ||||
| 339 | K | 24.7 | Very low | 28.3 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -56.8 | 138 | 179.3 | -56.2 | 166.1 | 179.9 | 177.9 | 0 | 114.4 | ||||
| 340 | M | 26.6 | Very low | 29.1 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | -166 | 96.2 | 140.5 | -123 | 175.4 | 172.2 | 0 | 0 | 113.2 | ||||
| 341 | M | 27.1 | Very low | 30.4 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | trans | -158.8 | 69.5 | 154.5 | -168.1 | 156.4 | 73.2 | 0 | 0 | 110 | ||||
| 342 | D | 25 | Very low | 32 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -157.8 | 150.9 | 171.8 | -115.3 | -35.2 | 0 | 0 | 0 | 109.4 | ||
| 343 | S | 26.5 | Very low | 34 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 55.2 | 113.7 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 344 | A | 30.1 | Very low | 36.7 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 84% | 0.843 | 70% | 0.702 | S | S | * | * | trans | -155.9 | 61.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 345 | D | 28.5 | Very low | 38.9 | Very low | 134 Ų | 134 | 118.5 Ų | 118.5 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | trans | 38.7 | 101.9 | 154.9 | -55.9 | -16.6 | 0 | 0 | 0 | 120.7 | S347 | D345-S347 PolarHBondContact O-N 3.18Š| ||
| 346 | A | 26.5 | Very low | 41.9 | Very low | 120 Ų | 120 | 110 Ų | 110 | 99% | 0.992 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -76.6 | 55.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 347 | S | 26.3 | Very low | 44.6 | Very low | 80 Ų | 80 | 102.6 Ų | 102.6 | 56% | 0.559 | 60% | 0.603 | S | S | * | * | trans | -156.3 | 83.1 | 179.4 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | D345 | D345-S347 PolarHBondContact O-N 3.18Š| ||
| 348 | S | 29.8 | Very low | 47.3 | Very low | 90 Ų | 90 | 96.7 Ų | 96.7 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | trans | -154.9 | 101.6 | 156.9 | -173.8 | 0 | 0 | 0 | 0 | 113.3 | Y350 | S348-Y350 VanDerWaalsContact C-N 3.28Å; S348-Y350 PolarHBondContact OG-N 3.28Å | ||
| 349 | P | 36.4 | Very low | 50.3 | Low | 122 Ų | 122 | 90.1 Ų | 90.1 | 79% | 0.792 | 53% | 0.532 | S | S | * | . | trans | -96.5 | 33.4 | 151.3 | 38.5 | -31.1 | 0 | 0 | 0 | 110.4 | S351 | P349-S351 PolarHBondContact O-N 3.03Š| ||
| 350 | Y | 42.4 | Very low | 53.5 | Low | 185 Ų | 185 | 82.3 Ų | 82.3 | 73% | 0.725 | 50% | 0.497 | S | S | * | . | trans | -89.9 | 105.8 | -179 | -63.5 | -68.9 | 0 | 0 | 0 | 110.4 | S348 A352 | S348-Y350 VanDerWaalsContact C-N 3.28Å; S348-Y350 PolarHBondContact OG-N 3.28Å; Y350-A352 PolarHBondContact O-N 3.4Å | ||
| 351 | S | 54 | Low | 56.6 | Low | 47 Ų | 47 | 75.4 Ų | 75.4 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 116.8 | 170 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | S104 T151 P349 | S104-S351 WeakPolarHBondContact OG-CB 3.43Å; T151-S351 WeakPolarHBondContact CG2-OG 3.45Å; P349-S351 PolarHBondContact O-N 3.03Å |
| 352 | A | 60.5 | Low | 59.8 | Low | 59 Ų | 59 | 66.7 Ų | 66.7 | 49% | 0.488 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 135.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y350 | Y350-A352 PolarHBondContact O-N 3.4Š|
| 353 | P | 72.2 | Confident | 63.1 | Low | 82 Ų | 82 | 59.5 Ų | 59.5 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 134.5 | 177.7 | 29.1 | -35.7 | 0 | 0 | 0 | 110.6 | P148 | P148-P353 WeakPolarHBondContact O-CA 3.31Å; P148-P353 WeakPolarHBondContact O-CB 3.38Å |
| 354 | H | 82 | Confident | 66.3 | Low | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.019 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 146.7 | -179.6 | 66 | -91 | 0 | 0 | 0 | 113.8 | G147 L150 D152 V155 R193 C358 | G147-H354 PolarHBondContact O-CE1 3.37Å; G147-H354 VanDerWaalsContact O-CE1 3.29Å; L150-H354 WeakPolarHBondContact O-CB 3.45Å; L150-H354 PolarHBondContact O-N 3.2Å; L150-H354 PolarHBondContact O-ND1 2.92Å; L150-H354 VanDerWaalsContact O-ND1 3.1Å; D152-H354 WeakPolarHBondContact OD1-CA 3.49Å; V155-H354 HydrophobicContact CG2-CB 4.13Å; R193-H354 PolarHBondContact NH1-CD2 3.47Å; R193-H354 VanDerWaalsContact NH1-CD2 3.3Å; R193-H354 PolarHBondContact NH1-CE1 3.21Å; R193-H354 VanDerWaalsContact NH1-CE1 3.31Å; R193-H354 PolarHBondContact NH1-NE2 3.05Å; R193-H354 PolarHBondContact NH1-O 2.92Å; H354-C358 HydrophobicContact CB-CB 4.39Å |
| 355 | G | 84.8 | Confident | 69.4 | Low | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | trans | -153.7 | -137.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D152 P357 C358 A359 | D152-G355 PolarHBondContact OD1-N 3.07Å; G355-P357 VanDerWaalsContact C-CD 3.4Å; G355-C358 PolarHBondContact O-N 3.08Å; G355-A359 PolarHBondContact O-N 2.98Å; G355-A359 VanDerWaalsContact O-N 3.14Å | ||
| 356 | I | 87.6 | Confident | 72.6 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -39.2 | -179.4 | -60.6 | -67.7 | 0 | 0 | 0 | 113.8 | L194 F197 C358 A359 R360 F403 L405 | L194-I356 HydrophobicContact CD2-CD1 4.12Å; F197-I356 HydrophobicContact CB-CD1 3.81Å; F197-I356 HydrophobicContact CB-CG1 3.87Å; F197-I356 HydrophobicContact CD2-CD1 3.74Å; F197-I356 HydrophobicContact CD2-CG1 4.2Å; F197-I356 HydrophobicContact CG-CD1 4.27Å; F197-I356 HydrophobicContact CG-CG1 4.44Å; I356-C358 PolarHBondContact O-N 3.44Å; I356-A359 PolarHBondContact O-N 2.78Å; I356-R360 WeakPolarHBondContact O-CB 3.31Å; I356-R360 PolarHBondContact O-N 3.47Å; I356-F403 HydrophobicContact CD1-CD1 3.51Å; I356-F403 HydrophobicContact CD1-CD2 3.93Å; I356-F403 HydrophobicContact CD1-CE1 3.49Å; I356-F403 VanDerWaalsContact CD1-CE1 3.49Å; I356-F403 HydrophobicContact CD1-CE2 3.91Å; I356-F403 HydrophobicContact CD1-CG 3.73Å; I356-F403 HydrophobicContact CD1-CZ 3.7Å; I356-F403 HydrophobicContact CG1-CD1 4.11Å; I356-F403 HydrophobicContact CG1-CE1 4.06Å; I356-L405 HydrophobicContact CG2-CB 4.06Å; I356-L405 HydrophobicContact CG2-CD1 3.56Å; I356-L405 HydrophobicContact CG2-CG 4.42Å |
| 357 | P | 85.7 | Confident | 75.9 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | -179.5 | -24.4 | 35.1 | 0 | 0 | 0 | 113.1 | D152 Y205 G355 R360 E361 | D152-P357 HydrophobicContact CB-CB 4.25Å; D152-P357 WeakPolarHBondContact OD2-CB 3.38Å; D152-P357 VanDerWaalsContact OD2-CG 3.3Å; D152-P357 WeakPolarHBondContact OD2-CG 3.33Å; Y205-P357 HydrophobicContact CD1-CB 3.63Å; Y205-P357 HydrophobicContact CD1-CG 4.12Å; Y205-P357 HydrophobicContact CD2-CB 4.29Å; Y205-P357 HydrophobicContact CE1-CB 3.95Å; Y205-P357 HydrophobicContact CG-CB 3.82Å; Y205-P357 HydrophobicContact CG-CG 4.38Å; G355-P357 VanDerWaalsContact C-CD 3.4Å; P357-R360 PolarHBondContact O-N 2.91Å; P357-E361 WeakPolarHBondContact O-CB 3.19Å; P357-E361 PolarHBondContact O-N 3.33Å |
| 358 | C | 88.6 | Confident | 79.1 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | D152 V155 C156 H354 G355 I356 R360 E361 L362 | D152-C358 HydrophobicContact CB-CB 3.92Å; D152-C358 WeakPolarHBondContact OD1-CB 3.34Å; D152-C358 PolarHBondContact OD1-N 3.23Å; V155-C358 VanDerWaalsContact CG1-SG 3.51Å; C156-C358 VanDerWaalsContact SG-SG 3.62Å; H354-C358 HydrophobicContact CB-CB 4.39Å; G355-C358 PolarHBondContact O-N 3.08Å; I356-C358 PolarHBondContact O-N 3.44Å; C358-R360 VanDerWaalsContact C-N 3.25Å; C358-R360 PolarHBondContact O-N 3.41Å; C358-E361 PolarHBondContact O-N 3.23Å; C358-E361 VanDerWaalsContact O-N 3.14Å; C358-L362 VanDerWaalsContact O-CB 3.31Å; C358-L362 WeakPolarHBondContact O-CB 3.32Å; C358-L362 PolarHBondContact O-N 2.92Å |
| 359 | A | 92 | Very high | 82.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -37.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I190 L194 F197 G355 I356 M363 | I190-A359 HydrophobicContact CG2-CB 3.97Å; L194-A359 HydrophobicContact CD2-CB 4.24Å; F197-A359 HydrophobicContact CE2-CB 4.19Å; G355-A359 PolarHBondContact O-N 2.98Å; G355-A359 VanDerWaalsContact O-N 3.14Å; I356-A359 PolarHBondContact O-N 2.78Å; A359-M363 VanDerWaalsContact O-CB 3.31Å; A359-M363 WeakPolarHBondContact O-CB 3.21Å; A359-M363 PolarHBondContact O-N 3.15Å |
| 360 | R | 91.4 | Very high | 84.9 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.3 | -44.7 | 175.3 | -172 | -142.9 | 162.3 | -90.7 | -12.1 | 112.2 | Y205 I356 P357 C358 M363 R364 L405 L406 L409 | Y205-R360 PolarHBondContact OH-NH1 2.86Å; I356-R360 WeakPolarHBondContact O-CB 3.31Å; I356-R360 PolarHBondContact O-N 3.47Å; P357-R360 PolarHBondContact O-N 2.91Å; C358-R360 VanDerWaalsContact C-N 3.25Å; C358-R360 PolarHBondContact O-N 3.41Å; R360-M363 PolarHBondContact O-N 2.92Å; R360-R364 VanDerWaalsContact O-CB 3.32Å; R360-R364 WeakPolarHBondContact O-CB 3.19Å; R360-R364 PolarHBondContact O-N 3.47Å; R360-L405 HydrophobicContact CG-CB 4.22Å; R360-L405 WeakPolarHBondContact CG-O 3.23Å; R360-L406 VanDerWaalsContact CA-CD2 3.47Å; R360-L406 HydrophobicContact CB-CD2 3.62Å; R360-L406 HydrophobicContact CG-CD2 3.92Å; R360-L409 HydrophobicContact CG-CD1 3.9Å |
| 361 | E | 90.7 | Very high | 87.2 | Confident | 47 Ų | 47 | 24.2 Ų | 24.2 | 22% | 0.22 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | -179.3 | -163.8 | 57.6 | -148.3 | 0 | 0 | 111.5 | Y205 P357 C358 R364 F365 | Y205-E361 PolarHBondContact OH-OE2 2.78Å; P357-E361 WeakPolarHBondContact O-CB 3.19Å; P357-E361 PolarHBondContact O-N 3.33Å; C358-E361 PolarHBondContact O-N 3.23Å; C358-E361 VanDerWaalsContact O-N 3.14Å; E361-R364 PolarHBondContact O-N 3.03Å; E361-R364 IonicContact OE1-CZ 3.22Å; E361-R364 IonicContact OE1-NE 3.08Å; E361-R364 PolarHBondContact OE1-NE 2.88Å; E361-R364 IonicContact OE1-NH2 2.87Å; E361-R364 PolarHBondContact OE1-NH2 3.17Å; E361-R364 IonicContact OE2-NE 3.78Å; E361-F365 WeakPolarHBondContact O-CB 3.31Å; E361-F365 PolarHBondContact O-N 3.14Å |
| 362 | L | 93.7 | Very high | 88.7 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 168.8 | 171.6 | 57.2 | 0 | 0 | 0 | 111.6 | L159 F163 V187 I190 F191 C358 R364 F365 L366 | L159-L362 HydrophobicContact CD1-CD1 4.17Å; L159-L362 HydrophobicContact CD1-CD2 4.01Å; L159-L362 HydrophobicContact CD1-CG 4.47Å; F163-L362 HydrophobicContact CE2-CD1 4.45Å; V187-L362 HydrophobicContact CG2-CD1 4.32Å; V187-L362 HydrophobicContact CG2-CD2 4.18Å; I190-L362 HydrophobicContact CB-CD2 4.48Å; I190-L362 HydrophobicContact CD1-CD2 3.7Å; I190-L362 HydrophobicContact CG2-CD2 4.28Å; F191-L362 HydrophobicContact CE2-CD2 3.91Å; F191-L362 HydrophobicContact CE2-CG 4.3Å; C358-L362 VanDerWaalsContact O-CB 3.31Å; C358-L362 WeakPolarHBondContact O-CB 3.32Å; C358-L362 PolarHBondContact O-N 2.92Å; L362-R364 VanDerWaalsContact C-N 3.33Å; L362-R364 PolarHBondContact O-N 3.08Å; L362-F365 PolarHBondContact O-N 2.8Å; L362-F365 VanDerWaalsContact O-N 3.15Å; L362-L366 HydrophobicContact CD1-CD1 3.89Å; L362-L366 HydrophobicContact CD1-CD2 4.46Å; L362-L366 HydrophobicContact CD1-CG 3.89Å; L362-L366 HydrophobicContact CG-CD1 4.19Å; L362-L366 WeakPolarHBondContact O-CG 3.31Å; L362-L366 PolarHBondContact O-N 2.88Å |
| 363 | M | 94.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58 | -46 | 176.3 | -172 | -174.3 | -74 | 0 | 0 | 111.3 | F191 A359 R360 F365 L366 I367 I400 L406 L409 V410 | F191-M363 HydrophobicContact CE1-CE 3.64Å; F191-M363 HydrophobicContact CZ-CB 4.23Å; F191-M363 HydrophobicContact CZ-CE 3.98Å; A359-M363 VanDerWaalsContact O-CB 3.31Å; A359-M363 WeakPolarHBondContact O-CB 3.21Å; A359-M363 PolarHBondContact O-N 3.15Å; R360-M363 PolarHBondContact O-N 2.92Å; M363-F365 VanDerWaalsContact C-N 3.29Å; M363-F365 PolarHBondContact O-N 3.06Å; M363-L366 PolarHBondContact O-N 3.06Å; M363-I367 HydrophobicContact CG-CD1 3.65Å; M363-I367 HydrophobicContact CG-CG1 4.32Å; M363-I367 WeakPolarHBondContact O-CB 3.35Å; M363-I367 WeakPolarHBondContact O-CG1 3.39Å; M363-I367 PolarHBondContact O-N 2.57Å; M363-I367 HydrophobicContact SD-CD1 4.23Å; M363-I400 HydrophobicContact CE-CD1 3.8Å; M363-I400 HydrophobicContact CE-CG1 4.22Å; M363-L406 HydrophobicContact CE-CB 4.24Å; M363-L406 HydrophobicContact CE-CD1 4.23Å; M363-L406 HydrophobicContact CE-CD2 4.04Å; M363-L406 HydrophobicContact CE-CG 4.41Å; M363-L406 HydrophobicContact SD-CB 4.33Å; M363-L406 HydrophobicContact SD-CD2 4.19Å; M363-L409 HydrophobicContact SD-CB 4.4Å; M363-L409 HydrophobicContact SD-CD1 4.47Å; M363-V410 HydrophobicContact SD-CG2 3.95Å |
| 364 | R | 94.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 25.2 Ų | 25.2 | 15% | 0.147 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -35.7 | 177.4 | -171.3 | -142.4 | 52.5 | 62.9 | -7.5 | 112 | R360 E361 L362 A368 L409 | R360-R364 VanDerWaalsContact O-CB 3.32Å; R360-R364 WeakPolarHBondContact O-CB 3.19Å; R360-R364 PolarHBondContact O-N 3.47Å; E361-R364 PolarHBondContact O-N 3.03Å; E361-R364 IonicContact OE1-CZ 3.22Å; E361-R364 IonicContact OE1-NE 3.08Å; E361-R364 PolarHBondContact OE1-NE 2.88Å; E361-R364 IonicContact OE1-NH2 2.87Å; E361-R364 PolarHBondContact OE1-NH2 3.17Å; E361-R364 IonicContact OE2-NE 3.78Å; L362-R364 VanDerWaalsContact C-N 3.33Å; L362-R364 PolarHBondContact O-N 3.08Å; R364-A368 WeakPolarHBondContact O-CB 3.21Å; R364-A368 PolarHBondContact O-N 2.81Å; R364-L409 HydrophobicContact CB-CD1 3.97Å; R364-L409 HydrophobicContact CB-CD2 4.43Å; R364-L409 HydrophobicContact CG-CD2 4.18Å |
| 365 | F | 94.1 | Very high | 90 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 26% | 0.259 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.8 | -51.5 | 175.6 | -177.2 | -105.7 | 0 | 0 | 0 | 111.3 | F163 F167 E361 L362 M363 I367 A368 L369 | F163-F365 HydrophobicContact CB-CE1 4.49Å; F163-F365 AromaticContact CD1-CE1 3.92Å; F163-F365 HydrophobicContact CD1-CE1 3.92Å; F163-F365 HydrophobicContact CD2-CD1 4.15Å; F163-F365 AromaticContact CD2-CE1 3.59Å; F163-F365 HydrophobicContact CD2-CE1 3.59Å; F163-F365 HydrophobicContact CD2-CZ 4.49Å; F163-F365 AromaticContact CE1-CE1 3.96Å; F163-F365 HydrophobicContact CE1-CE1 3.96Å; F163-F365 AromaticContact CE2-CD1 3.82Å; F163-F365 HydrophobicContact CE2-CD1 3.82Å; F163-F365 AromaticContact CE2-CE1 3.67Å; F163-F365 HydrophobicContact CE2-CE1 3.67Å; F163-F365 AromaticContact CG-CE1 3.75Å; F163-F365 HydrophobicContact CG-CE1 3.75Å; F163-F365 HydrophobicContact CG-CZ 4.43Å; F163-F365 HydrophobicContact CZ-CD1 4.04Å; F163-F365 AromaticContact CZ-CE1 3.86Å; F163-F365 HydrophobicContact CZ-CE1 3.86Å; F167-F365 HydrophobicContact CE2-CZ 4.34Å; E361-F365 WeakPolarHBondContact O-CB 3.31Å; E361-F365 PolarHBondContact O-N 3.14Å; L362-F365 PolarHBondContact O-N 2.8Å; L362-F365 VanDerWaalsContact O-N 3.15Å; M363-F365 VanDerWaalsContact C-N 3.29Å; M363-F365 PolarHBondContact O-N 3.06Å; F365-I367 PolarHBondContact O-N 3.3Å; F365-A368 WeakPolarHBondContact O-CA 3.11Å; F365-A368 WeakPolarHBondContact O-CB 3.4Å; F365-A368 PolarHBondContact O-N 3.33Å; F365-L369 HydrophobicContact CD1-CD1 4.25Å; F365-L369 HydrophobicContact CD1-CG 4.46Å; F365-L369 HydrophobicContact CE1-CD1 3.84Å; F365-L369 HydrophobicContact CE1-CD2 4.14Å; F365-L369 HydrophobicContact CE1-CG 4.16Å; F365-L369 HydrophobicContact CE2-CD2 4.37Å; F365-L369 HydrophobicContact CZ-CD1 4.43Å; F365-L369 HydrophobicContact CZ-CD2 3.91Å; F365-L369 HydrophobicContact CZ-CG 4.4Å; F365-L369 PolarHBondContact O-N 3.17Å; F365-L369 VanDerWaalsContact O-N 3.1Å |
| 366 | L | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 177.9 | -70.4 | 178.7 | 0 | 0 | 0 | 112.6 | F163 V187 L362 M363 A368 L369 C370 L388 L389 | F163-L366 HydrophobicContact CE1-CD2 4.32Å; F163-L366 HydrophobicContact CZ-CD2 3.75Å; V187-L366 HydrophobicContact CG2-CD1 4.48Å; L362-L366 HydrophobicContact CD1-CD1 3.89Å; L362-L366 HydrophobicContact CD1-CD2 4.46Å; L362-L366 HydrophobicContact CD1-CG 3.89Å; L362-L366 HydrophobicContact CG-CD1 4.19Å; L362-L366 WeakPolarHBondContact O-CG 3.31Å; L362-L366 PolarHBondContact O-N 2.88Å; M363-L366 PolarHBondContact O-N 3.06Å; L366-A368 VanDerWaalsContact C-N 3.25Å; L366-A368 PolarHBondContact O-N 3.44Å; L366-L369 HydrophobicContact CD2-CD1 4.31Å; L366-L369 WeakPolarHBondContact O-CB 3.46Å; L366-L369 PolarHBondContact O-N 3.09Å; L366-C370 PolarHBondContact O-N 3.39Å; L366-C370 PolarHBondContact O-SG 2.87Å; L366-C370 VanDerWaalsContact O-SG 3.35Å; L366-L388 HydrophobicContact CD1-CB 4.08Å; L366-L388 HydrophobicContact CD2-CB 3.61Å; L366-L388 HydrophobicContact CD2-CD1 3.75Å; L366-L388 HydrophobicContact CD2-CG 4.35Å; L366-L388 HydrophobicContact CG-CB 4.5Å; L366-L389 HydrophobicContact CB-CD2 3.56Å; L366-L389 HydrophobicContact CB-CG 3.84Å; L366-L389 HydrophobicContact CD1-CD2 3.99Å; L366-L389 HydrophobicContact CD1-CG 4.45Å; L366-L389 HydrophobicContact CG-CD2 4.43Å |
| 367 | I | 96.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -36 | 175.4 | -67.6 | 167.6 | 0 | 0 | 0 | 111.4 | M363 F365 C370 L389 L409 E413 L414 N417 | M363-I367 HydrophobicContact CG-CD1 3.65Å; M363-I367 HydrophobicContact CG-CG1 4.32Å; M363-I367 WeakPolarHBondContact O-CB 3.35Å; M363-I367 WeakPolarHBondContact O-CG1 3.39Å; M363-I367 PolarHBondContact O-N 2.57Å; M363-I367 HydrophobicContact SD-CD1 4.23Å; F365-I367 PolarHBondContact O-N 3.3Å; I367-C370 PolarHBondContact O-N 3.19Å; I367-L389 HydrophobicContact CG1-CD1 4.14Å; I367-L389 HydrophobicContact CG1-CD2 4.18Å; I367-L409 HydrophobicContact CD1-CB 3.88Å; I367-E413 HydrophobicContact CG2-CB 3.61Å; I367-L414 HydrophobicContact CD1-CB 3.94Å; I367-L414 HydrophobicContact CG1-CB 4.06Å; I367-L414 HydrophobicContact CG1-CD1 4.29Å; I367-L414 HydrophobicContact CG2-CB 4.27Å; I367-N417 PolarHBondContact O-ND2 3.28Å |
| 368 | A | 93.6 | Very high | 90.1 | Very high | 41 Ų | 41 | 43 Ų | 43 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.7 | -34.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R364 F365 L366 C370 N371 N377 | R364-A368 WeakPolarHBondContact O-CB 3.21Å; R364-A368 PolarHBondContact O-N 2.81Å; F365-A368 WeakPolarHBondContact O-CA 3.11Å; F365-A368 WeakPolarHBondContact O-CB 3.4Å; F365-A368 PolarHBondContact O-N 3.33Å; L366-A368 VanDerWaalsContact C-N 3.25Å; L366-A368 PolarHBondContact O-N 3.44Å; A368-C370 PolarHBondContact O-N 3.16Å; A368-N371 WeakPolarHBondContact O-CB 3.33Å; A368-N371 PolarHBondContact O-N 2.9Å; A368-N377 PolarHBondContact O-ND2 2.97Å |
| 369 | L | 93.5 | Very high | 90.1 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -32.8 | 171.4 | -58.3 | 179.8 | 0 | 0 | 0 | 111.8 | F163 F167 F365 L366 N371 N377 I381 I382 | F163-L369 HydrophobicContact CE1-CD1 3.99Å; F167-L369 HydrophobicContact CE2-CD2 4.3Å; F167-L369 HydrophobicContact CZ-CD1 3.95Å; F167-L369 HydrophobicContact CZ-CD2 3.88Å; F365-L369 HydrophobicContact CD1-CD1 4.25Å; F365-L369 HydrophobicContact CD1-CG 4.46Å; F365-L369 HydrophobicContact CE1-CD1 3.84Å; F365-L369 HydrophobicContact CE1-CD2 4.14Å; F365-L369 HydrophobicContact CE1-CG 4.16Å; F365-L369 HydrophobicContact CE2-CD2 4.37Å; F365-L369 HydrophobicContact CZ-CD1 4.43Å; F365-L369 HydrophobicContact CZ-CD2 3.91Å; F365-L369 HydrophobicContact CZ-CG 4.4Å; F365-L369 PolarHBondContact O-N 3.17Å; F365-L369 VanDerWaalsContact O-N 3.1Å; L366-L369 HydrophobicContact CD2-CD1 4.31Å; L366-L369 WeakPolarHBondContact O-CB 3.46Å; L366-L369 PolarHBondContact O-N 3.09Å; L369-N371 VanDerWaalsContact C-N 3.27Å; L369-N371 PolarHBondContact O-N 3.38Å; L369-N377 PolarHBondContact O-ND2 3.49Å; L369-I381 HydrophobicContact CB-CG2 4.14Å; L369-I381 HydrophobicContact CD2-CG2 3.83Å; L369-I381 HydrophobicContact CG-CG2 4.45Å; L369-I382 WeakPolarHBondContact O-CG1 3.46Å |
| 370 | C | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.6 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 114.9 | L366 I367 A368 P372 L386 L421 | L366-C370 PolarHBondContact O-N 3.39Å; L366-C370 PolarHBondContact O-SG 2.87Å; L366-C370 VanDerWaalsContact O-SG 3.35Å; I367-C370 PolarHBondContact O-N 3.19Å; A368-C370 PolarHBondContact O-N 3.16Å; C370-P372 VanDerWaalsContact O-CD 3.24Å; C370-P372 WeakPolarHBondContact O-CD 3.36Å; C370-L386 HydrophobicContact CB-CD2 4.29Å; C370-L386 PolarHBondContact SG-N 3.47Å; C370-L421 WeakPolarHBondContact O-CD1 3.08Å |
| 371 | N | 90.9 | Very high | 89.9 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | trans | -80 | 111.5 | -179.2 | 177.5 | 9.6 | 0 | 0 | 0 | 111.3 | A368 L369 W373 G374 N377 | A368-N371 WeakPolarHBondContact O-CB 3.33Å; A368-N371 PolarHBondContact O-N 2.9Å; L369-N371 VanDerWaalsContact C-N 3.27Å; L369-N371 PolarHBondContact O-N 3.38Å; N371-W373 PolarHBondContact O-N 2.9Å; N371-W373 WeakPolarHBondContact OD1-CB 3.32Å; N371-W373 PolarHBondContact OD1-N 3.06Å; N371-G374 PolarHBondContact O-N 2.71Å; N371-G374 VanDerWaalsContact O-N 3.13Å; N371-N377 PolarHBondContact O-ND2 3.2Å | ||
| 372 | P | 85.8 | Confident | 90.1 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.7 | -179.8 | 31.1 | -35.8 | 0 | 0 | 0 | 113.8 | C370 L421 | C370-P372 VanDerWaalsContact O-CD 3.24Å; C370-P372 WeakPolarHBondContact O-CD 3.36Å; P372-L421 HydrophobicContact CB-CD2 4.04Å; P372-L421 HydrophobicContact CG-CD2 4.24Å; P372-L421 HydrophobicContact CG-CG 4.28Å |
| 373 | W | 82.2 | Confident | 90.1 | Very high | 138 Ų | 138 | 49.5 Ų | 49.5 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -2.4 | 174.7 | -52.6 | 102.5 | 0 | 0 | 0 | 113 | N371 Q375 S420 I848 | N371-W373 PolarHBondContact O-N 2.9Å; N371-W373 WeakPolarHBondContact OD1-CB 3.32Å; N371-W373 PolarHBondContact OD1-N 3.06Å; W373-Q375 PolarHBondContact O-N 3.15Å; W373-S420 PolarHBondContact NE1-OG 3.28Å; W373-I848 HydrophobicContact CD2-CD1 4.24Å; W373-I848 HydrophobicContact CE3-CD1 4.44Å; W373-I848 HydrophobicContact CZ2-CD1 4.34Å |
| 374 | G | 81.6 | Confident | 90.1 | Very high | 22 Ų | 22 | 50 Ų | 50 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | trans | -74.5 | 111.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | N371 Q376 N377 | N371-G374 PolarHBondContact O-N 2.71Å; N371-G374 VanDerWaalsContact O-N 3.13Å; G374-Q376 PolarHBondContact O-N 2.96Å; G374-N377 PolarHBondContact O-N 3.48Å | ||
| 375 | Q | 77.5 | Confident | 90.1 | Very high | 207 Ų | 207 | 48.1 Ų | 48.1 | 97% | 0.967 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -16.5 | -179.8 | -68.8 | -179.6 | -32 | 0 | 0 | 114.6 | W373 | W373-Q375 PolarHBondContact O-N 3.15Š|
| 376 | Q | 82.3 | Confident | 90.2 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -13.5 | -179.9 | -76.2 | 174.6 | -20.7 | 0 | 0 | 113.7 | S287 G374 T378 | S287-Q376 VanDerWaalsContact CB-CD 3.5Å; G374-Q376 PolarHBondContact O-N 2.96Å; Q376-T378 PolarHBondContact O-N 3.01Å |
| 377 | N | 87.6 | Confident | 90.2 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | trans | -88.2 | 92.5 | -176.1 | -66.4 | -17.4 | 0 | 0 | 0 | 109.8 | A368 L369 N371 G374 I382 | A368-N377 PolarHBondContact O-ND2 2.97Å; L369-N377 PolarHBondContact O-ND2 3.49Å; N371-N377 PolarHBondContact O-ND2 3.2Å; G374-N377 PolarHBondContact O-N 3.48Å; N377-I382 HydrophobicContact CB-CD1 4.3Å; N377-I382 HydrophobicContact CB-CG1 3.95Å | ||
| 378 | T | 90.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | trans | -66.7 | 159.1 | 169.6 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | Q376 G380 I381 I382 | Q376-T378 PolarHBondContact O-N 3.01Å; T378-G380 PolarHBondContact O-N 3.09Å; T378-G380 VanDerWaalsContact O-N 3.1Å; T378-I381 HydrophobicContact CG2-CD1 4.39Å; T378-I381 WeakPolarHBondContact O-CA 3.5Å; T378-I381 WeakPolarHBondContact O-CB 3.37Å; T378-I381 PolarHBondContact O-N 3.43Å; T378-I381 WeakPolarHBondContact OG1-CG1 3.44Å; T378-I382 WeakPolarHBondContact O-CG1 3.28Å; T378-I382 PolarHBondContact O-N 3.24Å | ||
| 379 | D | 87.8 | Confident | 90.4 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.5 | -33 | -179.7 | -64.2 | -75.5 | 0 | 0 | 0 | 113.1 | I382 E383 K426 L429 | D379-I382 PolarHBondContact O-N 2.9Å; D379-E383 WeakPolarHBondContact O-CB 3.34Å; D379-E383 PolarHBondContact O-N 3.39Å; D379-K426 HydrophobicContact CB-CD 4.21Å; D379-K426 IonicContact OD1-NZ 3.61Å; D379-K426 IonicContact OD2-NZ 3.05Å; D379-K426 PolarHBondContact OD2-NZ 3.25Å; D379-L429 HydrophobicContact CB-CD1 4.11Å; D379-L429 VanDerWaalsContact OD1-CD1 3.31Å; D379-L429 WeakPolarHBondContact OD1-CD1 3.44Å |
| 380 | G | 88.5 | Confident | 90.6 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.4 | -33.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T378 L384 | T378-G380 PolarHBondContact O-N 3.09Å; T378-G380 VanDerWaalsContact O-N 3.1Å; G380-L384 WeakPolarHBondContact O-CB 3.17Å; G380-L384 PolarHBondContact O-N 3.42Å |
| 381 | I | 91.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70 | -41 | 173.5 | -65.1 | 173.1 | 0 | 0 | 0 | 110.2 | F167 L369 T378 L384 G385 | F167-I381 HydrophobicContact CD1-CD1 4.26Å; F167-I381 HydrophobicContact CD1-CG1 3.84Å; F167-I381 HydrophobicContact CE1-CB 4.25Å; F167-I381 HydrophobicContact CE1-CD1 4.42Å; F167-I381 HydrophobicContact CE1-CG1 3.76Å; F167-I381 HydrophobicContact CE1-CG2 3.92Å; F167-I381 HydrophobicContact CZ-CG2 4.16Å; L369-I381 HydrophobicContact CB-CG2 4.14Å; L369-I381 HydrophobicContact CD2-CG2 3.83Å; L369-I381 HydrophobicContact CG-CG2 4.45Å; T378-I381 HydrophobicContact CG2-CD1 4.39Å; T378-I381 WeakPolarHBondContact O-CA 3.5Å; T378-I381 WeakPolarHBondContact O-CB 3.37Å; T378-I381 PolarHBondContact O-N 3.43Å; T378-I381 WeakPolarHBondContact OG1-CG1 3.44Å; I381-L384 PolarHBondContact O-N 3.47Å; I381-G385 PolarHBondContact O-N 2.98Å |
| 382 | I | 94.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.5 | -61.1 | 172.5 | 0 | 0 | 0 | 110.3 | L369 N377 T378 D379 G385 L386 L421 L429 | L369-I382 WeakPolarHBondContact O-CG1 3.46Å; N377-I382 HydrophobicContact CB-CD1 4.3Å; N377-I382 HydrophobicContact CB-CG1 3.95Å; T378-I382 WeakPolarHBondContact O-CG1 3.28Å; T378-I382 PolarHBondContact O-N 3.24Å; D379-I382 PolarHBondContact O-N 2.9Å; I382-G385 PolarHBondContact O-N 3.1Å; I382-L386 HydrophobicContact CG2-CD1 3.97Å; I382-L386 HydrophobicContact CG2-CG 4.32Å; I382-L386 WeakPolarHBondContact O-CB 3.46Å; I382-L386 VanDerWaalsContact O-CG 3.3Å; I382-L386 WeakPolarHBondContact O-CG 3.28Å; I382-L386 PolarHBondContact O-N 2.96Å; I382-L421 HydrophobicContact CG2-CD1 4.21Å; I382-L421 HydrophobicContact CG2-CD2 3.75Å; I382-L429 HydrophobicContact CB-CD2 4.24Å; I382-L429 HydrophobicContact CG2-CD1 4.5Å; I382-L429 HydrophobicContact CG2-CD2 3.9Å |
| 383 | E | 94 | Very high | 91.3 | Very high | 69 Ų | 69 | 39.9 Ų | 39.9 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.2 | -43 | 178.5 | -159.9 | 174 | 107.6 | 0 | 0 | 111.7 | D379 S387 S428 L429 L432 | D379-E383 WeakPolarHBondContact O-CB 3.34Å; D379-E383 PolarHBondContact O-N 3.39Å; E383-S387 WeakPolarHBondContact O-CB 3.46Å; E383-S387 PolarHBondContact O-N 3.17Å; E383-S428 WeakPolarHBondContact OE2-CB 3.05Å; E383-S428 PolarHBondContact OE2-OG 2.85Å; E383-L429 HydrophobicContact CB-CD2 3.73Å; E383-L429 HydrophobicContact CG-CD2 4.16Å; E383-L432 HydrophobicContact CG-CD1 3.56Å |
| 384 | L | 93.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -49.1 | 172.9 | 179.1 | 61.7 | 0 | 0 | 0 | 111.8 | F163 C166 F167 E180 G380 I381 L386 S387 L388 | F163-L384 HydrophobicContact CE1-CD2 4.5Å; C166-L384 HydrophobicContact CB-CD2 3.93Å; F167-L384 HydrophobicContact CE1-CD2 3.79Å; F167-L384 HydrophobicContact CZ-CD2 4.31Å; E180-L384 HydrophobicContact CB-CD1 4.02Å; E180-L384 HydrophobicContact CG-CD1 3.52Å; G380-L384 WeakPolarHBondContact O-CB 3.17Å; G380-L384 PolarHBondContact O-N 3.42Å; I381-L384 PolarHBondContact O-N 3.47Å; L384-L386 PolarHBondContact O-N 3.13Å; L384-S387 PolarHBondContact O-N 2.69Å; L384-L388 HydrophobicContact CD1-CD1 3.86Å; L384-L388 HydrophobicContact CD1-CG 4.06Å; L384-L388 HydrophobicContact CG-CD1 4.01Å; L384-L388 WeakPolarHBondContact O-CG 3.33Å; L384-L388 PolarHBondContact O-N 3.4Å |
| 385 | G | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I381 I382 L388 L389 | I381-G385 PolarHBondContact O-N 2.98Å; I382-G385 PolarHBondContact O-N 3.1Å; G385-L388 PolarHBondContact O-N 3.33Å; G385-L389 WeakPolarHBondContact O-CG 3.42Å; G385-L389 PolarHBondContact O-N 3.43Å |
| 386 | L | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.4 | -72.7 | 172.5 | 0 | 0 | 0 | 111.4 | C370 I382 L384 L388 L389 L390 L418 L421 L429 L432 L436 | C370-L386 HydrophobicContact CB-CD2 4.29Å; C370-L386 PolarHBondContact SG-N 3.47Å; I382-L386 HydrophobicContact CG2-CD1 3.97Å; I382-L386 HydrophobicContact CG2-CG 4.32Å; I382-L386 WeakPolarHBondContact O-CB 3.46Å; I382-L386 VanDerWaalsContact O-CG 3.3Å; I382-L386 WeakPolarHBondContact O-CG 3.28Å; I382-L386 PolarHBondContact O-N 2.96Å; L384-L386 PolarHBondContact O-N 3.13Å; L386-L388 VanDerWaalsContact C-N 3.31Å; L386-L388 PolarHBondContact O-N 3.44Å; L386-L389 PolarHBondContact O-N 2.76Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 PolarHBondContact O-N 3.11Å; L386-L418 HydrophobicContact CD2-CD2 3.83Å; L386-L421 HydrophobicContact CD1-CD1 4.13Å; L386-L421 HydrophobicContact CD2-CD1 3.96Å; L386-L421 HydrophobicContact CG-CD1 4.39Å; L386-L429 HydrophobicContact CD1-CD2 4.14Å; L386-L432 HydrophobicContact CB-CB 4.02Å; L386-L432 HydrophobicContact CB-CD1 4.11Å; L386-L432 HydrophobicContact CD1-CB 4.04Å; L386-L436 HydrophobicContact CD2-CD2 3.88Å |
| 387 | S | 96.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.7 | -26.1 | -179.4 | -169.6 | 0 | 0 | 0 | 0 | 113.4 | R184 E383 L384 V391 | R184-S387 PolarHBondContact NH1-OG 3.38Å; R184-S387 PolarHBondContact NH2-OG 2.96Å; E383-S387 WeakPolarHBondContact O-CB 3.46Å; E383-S387 PolarHBondContact O-N 3.17Å; L384-S387 PolarHBondContact O-N 2.69Å; S387-V391 WeakPolarHBondContact O-CG2 3.33Å; S387-V391 PolarHBondContact O-N 3.47Å |
| 388 | L | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80.9 | -37.8 | 173.7 | -68.5 | 175.3 | 0 | 0 | 0 | 111.8 | F163 L183 R184 V187 L366 L384 G385 L386 L390 V391 A392 | F163-L388 HydrophobicContact CE1-CD1 3.62Å; F163-L388 HydrophobicContact CZ-CD1 3.73Å; L183-L388 HydrophobicContact CB-CD1 4.1Å; L183-L388 HydrophobicContact CB-CD2 3.93Å; L183-L388 HydrophobicContact CD1-CD1 4.28Å; R184-L388 HydrophobicContact CB-CD2 4.28Å; R184-L388 HydrophobicContact CG-CD2 3.7Å; V187-L388 HydrophobicContact CG2-CD2 4.25Å; L366-L388 HydrophobicContact CD1-CB 4.08Å; L366-L388 HydrophobicContact CD2-CB 3.61Å; L366-L388 HydrophobicContact CD2-CD1 3.75Å; L366-L388 HydrophobicContact CD2-CG 4.35Å; L366-L388 HydrophobicContact CG-CB 4.5Å; L384-L388 HydrophobicContact CD1-CD1 3.86Å; L384-L388 HydrophobicContact CD1-CG 4.06Å; L384-L388 HydrophobicContact CG-CD1 4.01Å; L384-L388 WeakPolarHBondContact O-CG 3.33Å; L384-L388 PolarHBondContact O-N 3.4Å; G385-L388 PolarHBondContact O-N 3.33Å; L386-L388 VanDerWaalsContact C-N 3.31Å; L386-L388 PolarHBondContact O-N 3.44Å; L388-L390 VanDerWaalsContact C-N 3.27Å; L388-L390 PolarHBondContact O-N 3.46Å; L388-V391 PolarHBondContact O-N 3.49Å; L388-A392 PolarHBondContact O-N 3.01Å |
| 389 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -36.9 | 169.1 | -73.5 | 178.1 | 0 | 0 | 0 | 112.1 | L366 I367 G385 L386 A392 F393 L414 L436 | L366-L389 HydrophobicContact CB-CD2 3.56Å; L366-L389 HydrophobicContact CB-CG 3.84Å; L366-L389 HydrophobicContact CD1-CD2 3.99Å; L366-L389 HydrophobicContact CD1-CG 4.45Å; L366-L389 HydrophobicContact CG-CD2 4.43Å; I367-L389 HydrophobicContact CG1-CD1 4.14Å; I367-L389 HydrophobicContact CG1-CD2 4.18Å; G385-L389 WeakPolarHBondContact O-CG 3.42Å; G385-L389 PolarHBondContact O-N 3.43Å; L386-L389 PolarHBondContact O-N 2.76Å; L389-A392 WeakPolarHBondContact O-CB 3.22Å; L389-A392 PolarHBondContact O-N 3.23Å; L389-F393 WeakPolarHBondContact O-CB 3.39Å; L389-F393 PolarHBondContact O-N 2.85Å; L389-L414 HydrophobicContact CD1-CD1 3.68Å; L389-L436 HydrophobicContact CB-CD1 4.11Å; L389-L436 HydrophobicContact CB-CD2 3.64Å; L389-L436 HydrophobicContact CD1-CD2 4Å; L389-L436 HydrophobicContact CG-CD2 4.49Å |
| 390 | L | 97.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 175.7 | -173.4 | 65.4 | 0 | 0 | 0 | 111.4 | L386 L388 A392 F393 E394 L432 R435 L436 L439 | L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 PolarHBondContact O-N 3.11Å; L388-L390 VanDerWaalsContact C-N 3.27Å; L388-L390 PolarHBondContact O-N 3.46Å; L390-A392 VanDerWaalsContact C-N 3.35Å; L390-A392 PolarHBondContact O-N 2.86Å; L390-F393 PolarHBondContact O-N 3.1Å; L390-E394 HydrophobicContact CD1-CG 4.48Å; L390-E394 HydrophobicContact CG-CG 4.49Å; L390-E394 WeakPolarHBondContact O-CB 3.23Å; L390-E394 VanDerWaalsContact O-CG 3.3Å; L390-E394 WeakPolarHBondContact O-CG 3.28Å; L390-E394 PolarHBondContact O-N 3.12Å; L390-L432 HydrophobicContact CD2-CD2 3.85Å; L390-R435 HydrophobicContact CD1-CB 4.03Å; L390-L436 HydrophobicContact CD1-CB 4.47Å; L390-L436 HydrophobicContact CD1-CD1 4.49Å; L390-L439 HydrophobicContact CD1-CD1 3.79Å |
| 391 | V | 96.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 22.5 Ų | 22.5 | 13% | 0.127 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | R184 M188 S387 L388 F393 | R184-V391 HydrophobicContact CB-CG2 4.48Å; R184-V391 HydrophobicContact CG-CG2 4.35Å; M188-V391 HydrophobicContact CB-CG1 3.77Å; M188-V391 HydrophobicContact CG-CG1 4.46Å; S387-V391 WeakPolarHBondContact O-CG2 3.33Å; S387-V391 PolarHBondContact O-N 3.47Å; L388-V391 PolarHBondContact O-N 3.49Å; V391-F393 VanDerWaalsContact C-N 3.31Å; V391-F393 PolarHBondContact O-N 3.24Å |
| 392 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V187 F191 L388 L389 L390 G396 | V187-A392 HydrophobicContact CG1-CB 3.72Å; F191-A392 HydrophobicContact CB-CB 4.34Å; F191-A392 HydrophobicContact CD1-CB 3.78Å; F191-A392 HydrophobicContact CD2-CB 3.62Å; F191-A392 HydrophobicContact CE1-CB 3.97Å; F191-A392 HydrophobicContact CE2-CB 3.8Å; F191-A392 HydrophobicContact CG-CB 3.61Å; F191-A392 HydrophobicContact CZ-CB 3.98Å; L388-A392 PolarHBondContact O-N 3.01Å; L389-A392 WeakPolarHBondContact O-CB 3.22Å; L389-A392 PolarHBondContact O-N 3.23Å; L390-A392 VanDerWaalsContact C-N 3.35Å; L390-A392 PolarHBondContact O-N 2.86Å; A392-G396 WeakPolarHBondContact O-CA 3.42Å; A392-G396 PolarHBondContact O-N 3.18Å |
| 393 | F | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -79.5 | -37.8 | -178.8 | -78.3 | 19.8 | 0 | 0 | 0 | 112.2 | L389 L390 V391 V395 G396 I397 I400 V410 L414 L436 L439 L440 | L389-F393 WeakPolarHBondContact O-CB 3.39Å; L389-F393 PolarHBondContact O-N 2.85Å; L390-F393 PolarHBondContact O-N 3.1Å; V391-F393 VanDerWaalsContact C-N 3.31Å; V391-F393 PolarHBondContact O-N 3.24Å; F393-V395 PolarHBondContact O-N 3.27Å; F393-V395 VanDerWaalsContact O-N 3.08Å; F393-G396 PolarHBondContact O-N 2.89Å; F393-I397 HydrophobicContact CB-CB 4.23Å; F393-I397 HydrophobicContact CB-CD1 4.39Å; F393-I397 HydrophobicContact CD2-CD1 3.79Å; F393-I397 HydrophobicContact CD2-CG1 4.49Å; F393-I397 HydrophobicContact CE2-CD1 4.3Å; F393-I397 HydrophobicContact CG-CB 4.43Å; F393-I397 HydrophobicContact CG-CD1 4.19Å; F393-I397 WeakPolarHBondContact O-CB 3.38Å; F393-I397 WeakPolarHBondContact O-CG2 3.32Å; F393-I397 PolarHBondContact O-N 2.85Å; F393-I400 HydrophobicContact CD1-CD1 3.87Å; F393-I400 HydrophobicContact CE1-CD1 3.55Å; F393-I400 HydrophobicContact CZ-CD1 4.24Å; F393-V410 HydrophobicContact CZ-CG2 4.29Å; F393-L414 HydrophobicContact CE1-CD2 4.46Å; F393-L414 HydrophobicContact CE2-CD2 3.78Å; F393-L414 HydrophobicContact CZ-CD2 3.41Å; F393-L414 VanDerWaalsContact CZ-CD2 3.41Å; F393-L436 HydrophobicContact CB-CD1 4.17Å; F393-L436 HydrophobicContact CD2-CD1 3.34Å; F393-L436 HydrophobicContact CD2-CG 4.4Å; F393-L436 HydrophobicContact CE2-CD1 3.83Å; F393-L436 HydrophobicContact CG-CD1 3.82Å; F393-L439 HydrophobicContact CB-CB 4.49Å; F393-L439 HydrophobicContact CB-CD1 4.03Å; F393-L440 HydrophobicContact CE2-CB 4.21Å; F393-L440 HydrophobicContact CE2-CD1 4.07Å |
| 394 | E | 94.1 | Very high | 92.8 | Very high | 102 Ų | 102 | 31.2 Ų | 31.2 | 48% | 0.477 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.9 | -20.4 | 177.5 | -76.7 | 177.1 | 174.9 | 0 | 0 | 113.2 | L390 R435 L439 | L390-E394 HydrophobicContact CD1-CG 4.48Å; L390-E394 HydrophobicContact CG-CG 4.49Å; L390-E394 WeakPolarHBondContact O-CB 3.23Å; L390-E394 VanDerWaalsContact O-CG 3.3Å; L390-E394 WeakPolarHBondContact O-CG 3.28Å; L390-E394 PolarHBondContact O-N 3.12Å; E394-R435 IonicContact OE1-CZ 3.17Å; E394-R435 IonicContact OE1-NH2 3.54Å; E394-R435 PolarHBondContact OE1-NH2 3.15Å; E394-L439 HydrophobicContact CG-CD1 3.59Å |
| 395 | V | 92.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 31.7 Ų | 31.7 | 38% | 0.382 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -118.1 | -21 | 176 | -55.7 | 0 | 0 | 0 | 0 | 116.2 | M188 F191 F393 | M188-V395 HydrophobicContact CG-CG1 3.96Å; M188-V395 HydrophobicContact CG-CG2 4.37Å; F191-V395 HydrophobicContact CB-CG2 3.76Å; F393-V395 PolarHBondContact O-N 3.27Å; F393-V395 VanDerWaalsContact O-N 3.08Å |
| 396 | G | 89.9 | Confident | 92.3 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -122.1 | -6.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | L194 A392 F393 E398 E399 | L194-G396 WeakPolarHBondContact CD1-O 3.38Å; A392-G396 WeakPolarHBondContact O-CA 3.42Å; A392-G396 PolarHBondContact O-N 3.18Å; F393-G396 PolarHBondContact O-N 2.89Å; G396-E398 PolarHBondContact O-N 2.68Å; G396-E399 PolarHBondContact O-N 3.23Å |
| 397 | I | 92.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | -164.8 | -171.4 | 167.9 | 0 | 0 | 0 | 115.3 | F393 E399 I400 L439 S443 L444 | F393-I397 HydrophobicContact CB-CB 4.23Å; F393-I397 HydrophobicContact CB-CD1 4.39Å; F393-I397 HydrophobicContact CD2-CD1 3.79Å; F393-I397 HydrophobicContact CD2-CG1 4.49Å; F393-I397 HydrophobicContact CE2-CD1 4.3Å; F393-I397 HydrophobicContact CG-CB 4.43Å; F393-I397 HydrophobicContact CG-CD1 4.19Å; F393-I397 WeakPolarHBondContact O-CB 3.38Å; F393-I397 WeakPolarHBondContact O-CG2 3.32Å; F393-I397 PolarHBondContact O-N 2.85Å; I397-E399 PolarHBondContact O-N 2.89Å; I397-I400 HydrophobicContact CG1-CD1 4.47Å; I397-I400 WeakPolarHBondContact O-CB 3.44Å; I397-I400 PolarHBondContact O-N 3.43Å; I397-I400 VanDerWaalsContact O-N 3.07Å; I397-L439 VanDerWaalsContact CD1-C 3.44Å; I397-L439 HydrophobicContact CD1-CB 4.17Å; I397-L439 WeakPolarHBondContact CD1-O 3.02Å; I397-S443 WeakPolarHBondContact CG2-OG 3.33Å; I397-L444 HydrophobicContact CD1-CD1 4.22Å; I397-L444 HydrophobicContact CD1-CG 4.24Å; I397-L444 HydrophobicContact CG1-CD1 3.84Å; I397-L444 HydrophobicContact CG1-CG 3.88Å |
| 398 | E | 87.3 | Confident | 91.9 | Very high | 96 Ų | 96 | 35.3 Ų | 35.3 | 45% | 0.449 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.1 | -18.2 | -177.1 | -62.6 | -174.7 | 152.9 | 0 | 0 | 113.5 | G396 R635 | G396-E398 PolarHBondContact O-N 2.68Å; E398-R635 VanDerWaalsContact OE1-CD 3.26Å; E398-R635 WeakPolarHBondContact OE1-CD 3.43Å; E398-R635 IonicContact OE1-CZ 3.97Å; E398-R635 IonicContact OE1-NE 2.74Å; E398-R635 IonicContact OE1-NH1 2.68Å; E398-R635 PolarHBondContact OE1-NH1 2.82Å |
| 399 | E | 89.8 | Confident | 91.8 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 15% | 0.145 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -92.5 | -23.9 | 179.2 | -64.3 | -66.1 | 142.6 | 0 | 0 | 112.7 | L194 G396 I397 G401 R402 F403 | L194-E399 HydrophobicContact CB-CB 3.81Å; L194-E399 HydrophobicContact CB-CG 4.28Å; L194-E399 HydrophobicContact CD1-CB 4.34Å; G396-E399 PolarHBondContact O-N 3.23Å; I397-E399 PolarHBondContact O-N 2.89Å; E399-G401 VanDerWaalsContact C-N 3.28Å; E399-G401 PolarHBondContact O-N 3.24Å; E399-R402 VanDerWaalsContact CD-CZ 3.4Å; E399-R402 WeakPolarHBondContact O-CB 3.49Å; E399-R402 PolarHBondContact O-N 3.47Å; E399-R402 IonicContact OE1-CZ 2.65Å; E399-R402 IonicContact OE1-NH1 3.08Å; E399-R402 PolarHBondContact OE1-NH1 3.39Å; E399-R402 IonicContact OE1-NH2 3.34Å; E399-R402 PolarHBondContact OE1-NH2 2.93Å; E399-R402 IonicContact OE2-CZ 3.07Å; E399-R402 VanDerWaalsContact OE2-CZ 3.22Å; E399-R402 IonicContact OE2-NE 3.24Å; E399-R402 IonicContact OE2-NH1 3Å; E399-R402 PolarHBondContact OE2-NH1 3.47Å; E399-R402 IonicContact OE2-NH2 2.74Å; E399-F403 HydrophobicContact CB-CE2 4.22Å; E399-F403 VanDerWaalsContact O-CD2 3.24Å; E399-F403 WeakPolarHBondContact O-CD2 3.42Å |
| 400 | I | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -38.4 | -173.6 | -66.1 | 176.2 | 0 | 0 | 0 | 112.2 | L194 M363 F393 I397 R402 F403 L406 V410 L444 | L194-I400 HydrophobicContact CD1-CG1 4.01Å; M363-I400 HydrophobicContact CE-CD1 3.8Å; M363-I400 HydrophobicContact CE-CG1 4.22Å; F393-I400 HydrophobicContact CD1-CD1 3.87Å; F393-I400 HydrophobicContact CE1-CD1 3.55Å; F393-I400 HydrophobicContact CZ-CD1 4.24Å; I397-I400 HydrophobicContact CG1-CD1 4.47Å; I397-I400 WeakPolarHBondContact O-CB 3.44Å; I397-I400 PolarHBondContact O-N 3.43Å; I397-I400 VanDerWaalsContact O-N 3.07Å; I400-R402 PolarHBondContact O-N 3.1Å; I400-R402 VanDerWaalsContact O-N 3.11Å; I400-F403 PolarHBondContact O-N 2.87Å; I400-F403 VanDerWaalsContact O-N 3.15Å; I400-L406 HydrophobicContact CG2-CB 4.08Å; I400-V410 HydrophobicContact CG2-CG2 4.02Å; I400-L444 HydrophobicContact CB-CD1 4.13Å; I400-L444 HydrophobicContact CG2-CD1 4.04Å |
| 401 | G | 86.4 | Confident | 91.6 | Very high | 19 Ų | 19 | 38 Ų | 38 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E399 | E399-G401 VanDerWaalsContact C-N 3.28Å; E399-G401 PolarHBondContact O-N 3.24Å |
| 402 | R | 87.7 | Confident | 91.4 | Very high | 160 Ų | 160 | 38.8 Ų | 38.8 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -13.3 | 178 | -54.1 | -175.6 | -168.3 | 151.7 | 20.9 | 113.5 | E399 I400 | E399-R402 VanDerWaalsContact CD-CZ 3.4Å; E399-R402 WeakPolarHBondContact O-CB 3.49Å; E399-R402 PolarHBondContact O-N 3.47Å; E399-R402 IonicContact OE1-CZ 2.65Å; E399-R402 IonicContact OE1-NH1 3.08Å; E399-R402 PolarHBondContact OE1-NH1 3.39Å; E399-R402 IonicContact OE1-NH2 3.34Å; E399-R402 PolarHBondContact OE1-NH2 2.93Å; E399-R402 IonicContact OE2-CZ 3.07Å; E399-R402 VanDerWaalsContact OE2-CZ 3.22Å; E399-R402 IonicContact OE2-NE 3.24Å; E399-R402 IonicContact OE2-NH1 3Å; E399-R402 PolarHBondContact OE2-NH1 3.47Å; E399-R402 IonicContact OE2-NH2 2.74Å; I400-R402 PolarHBondContact O-N 3.1Å; I400-R402 VanDerWaalsContact O-N 3.11Å |
| 403 | F | 89.7 | Confident | 91.3 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | trans | -110.5 | 112.5 | -170.1 | -64.5 | -62.3 | 0 | 0 | 0 | 112.2 | L194 F197 E199 I356 E399 I400 L405 L406 L407 | L194-F403 HydrophobicContact CB-CE2 4.32Å; L194-F403 HydrophobicContact CD2-CE2 4.28Å; L194-F403 WeakPolarHBondContact O-CZ 3.3Å; F197-F403 HydrophobicContact CB-CZ 4.33Å; E199-F403 HydrophobicContact CB-CD1 3.96Å; E199-F403 HydrophobicContact CB-CE1 4.33Å; I356-F403 HydrophobicContact CD1-CD1 3.51Å; I356-F403 HydrophobicContact CD1-CD2 3.93Å; I356-F403 HydrophobicContact CD1-CE1 3.49Å; I356-F403 VanDerWaalsContact CD1-CE1 3.49Å; I356-F403 HydrophobicContact CD1-CE2 3.91Å; I356-F403 HydrophobicContact CD1-CG 3.73Å; I356-F403 HydrophobicContact CD1-CZ 3.7Å; I356-F403 HydrophobicContact CG1-CD1 4.11Å; I356-F403 HydrophobicContact CG1-CE1 4.06Å; E399-F403 HydrophobicContact CB-CE2 4.22Å; E399-F403 VanDerWaalsContact O-CD2 3.24Å; E399-F403 WeakPolarHBondContact O-CD2 3.42Å; I400-F403 PolarHBondContact O-N 2.87Å; I400-F403 VanDerWaalsContact O-N 3.15Å; F403-L405 PolarHBondContact O-N 3Å; F403-L406 HydrophobicContact CB-CB 4.06Å; F403-L406 HydrophobicContact CB-CD1 3.91Å; F403-L406 HydrophobicContact CB-CG 3.88Å; F403-L406 HydrophobicContact CD2-CD1 3.88Å; F403-L406 HydrophobicContact CG-CD1 4.17Å; F403-L406 PolarHBondContact O-N 3.24Å; F403-L406 VanDerWaalsContact O-N 3.07Å; F403-L407 PolarHBondContact O-N 3.43Å | ||
| 404 | T | 86.6 | Confident | 91.4 | Very high | 107 Ų | 107 | 41.7 Ų | 41.7 | 66% | 0.656 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22 | -179 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | E199 P408 | E199-T404 VanDerWaalsContact CD-OG1 3.27Å; E199-T404 PolarHBondContact OE1-N 3.02Å; E199-T404 WeakPolarHBondContact OE2-CB 3.49Å; E199-T404 PolarHBondContact OE2-N 3.11Å; E199-T404 PolarHBondContact OE2-OG1 2.96Å; T404-P408 WeakPolarHBondContact O-CD 3.34Å; T404-P408 VanDerWaalsContact O-CG 3.31Å; T404-P408 WeakPolarHBondContact O-CG 3.37Å |
| 405 | L | 86.8 | Confident | 91.5 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -27.1 | 172.7 | -74 | -177.9 | 0 | 0 | 0 | 114.6 | E199 V206 L209 I356 R360 F403 | E199-L405 VanDerWaalsContact OE1-CB 3.28Å; E199-L405 WeakPolarHBondContact OE1-CB 3.37Å; E199-L405 WeakPolarHBondContact OE1-CG 3.43Å; E199-L405 PolarHBondContact OE1-N 3.35Å; V206-L405 HydrophobicContact CG2-CD1 3.79Å; V206-L405 HydrophobicContact CG2-CD2 4.5Å; V206-L405 HydrophobicContact CG2-CG 4.47Å; L209-L405 HydrophobicContact CD1-CD2 4.28Å; I356-L405 HydrophobicContact CG2-CB 4.06Å; I356-L405 HydrophobicContact CG2-CD1 3.56Å; I356-L405 HydrophobicContact CG2-CG 4.42Å; R360-L405 HydrophobicContact CG-CB 4.22Å; R360-L405 WeakPolarHBondContact CG-O 3.23Å; F403-L405 PolarHBondContact O-N 3Å |
| 406 | L | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -47.2 | -174.7 | -60.7 | -178.1 | 0 | 0 | 0 | 111.9 | L194 R360 M363 I400 F403 P408 L409 V410 | L194-L406 HydrophobicContact CD1-CD1 4.48Å; L194-L406 HydrophobicContact CD2-CD1 3.9Å; R360-L406 VanDerWaalsContact CA-CD2 3.47Å; R360-L406 HydrophobicContact CB-CD2 3.62Å; R360-L406 HydrophobicContact CG-CD2 3.92Å; M363-L406 HydrophobicContact CE-CB 4.24Å; M363-L406 HydrophobicContact CE-CD1 4.23Å; M363-L406 HydrophobicContact CE-CD2 4.04Å; M363-L406 HydrophobicContact CE-CG 4.41Å; M363-L406 HydrophobicContact SD-CB 4.33Å; M363-L406 HydrophobicContact SD-CD2 4.19Å; I400-L406 HydrophobicContact CG2-CB 4.08Å; F403-L406 HydrophobicContact CB-CB 4.06Å; F403-L406 HydrophobicContact CB-CD1 3.91Å; F403-L406 HydrophobicContact CB-CG 3.88Å; F403-L406 HydrophobicContact CD2-CD1 3.88Å; F403-L406 HydrophobicContact CG-CD1 4.17Å; F403-L406 PolarHBondContact O-N 3.24Å; F403-L406 VanDerWaalsContact O-N 3.07Å; L406-P408 VanDerWaalsContact C-CD 3.47Å; L406-L409 WeakPolarHBondContact O-CB 3.32Å; L406-L409 PolarHBondContact O-N 3.08Å; L406-L409 VanDerWaalsContact O-N 3.07Å; L406-V410 PolarHBondContact O-N 3.45Å |
| 407 | L | 92.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.12 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55 | -39.5 | -172.6 | -177.1 | 61.1 | 0 | 0 | 0 | 114.2 | F403 L409 V410 Q411 H447 | F403-L407 PolarHBondContact O-N 3.43Å; L407-L409 VanDerWaalsContact C-N 3.34Å; L407-L409 PolarHBondContact O-N 3.35Å; L407-V410 WeakPolarHBondContact O-CB 3.46Å; L407-V410 PolarHBondContact O-N 3.37Å; L407-V410 VanDerWaalsContact O-N 3.15Å; L407-Q411 HydrophobicContact CD1-CG 4.02Å; L407-Q411 HydrophobicContact CG-CG 4.1Å; L407-Q411 WeakPolarHBondContact O-CG 3.45Å; L407-Q411 PolarHBondContact O-N 3Å; L407-H447 HydrophobicContact CD1-CB 3.83Å; L407-H447 HydrophobicContact CD2-CB 4.05Å; L407-H447 HydrophobicContact CG-CB 4.49Å |
| 408 | P | 92 | Very high | 91.8 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 42% | 0.416 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.4 | -34.5 | 177.6 | -24.8 | 36.1 | 0 | 0 | 0 | 114.2 | T404 L406 V410 Q411 N412 | T404-P408 WeakPolarHBondContact O-CD 3.34Å; T404-P408 VanDerWaalsContact O-CG 3.31Å; T404-P408 WeakPolarHBondContact O-CG 3.37Å; L406-P408 VanDerWaalsContact C-CD 3.47Å; P408-V410 VanDerWaalsContact C-N 3.26Å; P408-V410 PolarHBondContact O-N 2.92Å; P408-Q411 PolarHBondContact O-N 2.93Å; P408-N412 WeakPolarHBondContact O-CB 3.35Å; P408-N412 PolarHBondContact O-N 2.93Å |
| 409 | L | 94 | Very high | 92 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -34.5 | 176.3 | -63.6 | 174 | 0 | 0 | 0 | 111.2 | R360 M363 R364 I367 L406 L407 E413 L414 | R360-L409 HydrophobicContact CG-CD1 3.9Å; M363-L409 HydrophobicContact SD-CB 4.4Å; M363-L409 HydrophobicContact SD-CD1 4.47Å; R364-L409 HydrophobicContact CB-CD1 3.97Å; R364-L409 HydrophobicContact CB-CD2 4.43Å; R364-L409 HydrophobicContact CG-CD2 4.18Å; I367-L409 HydrophobicContact CD1-CB 3.88Å; L406-L409 WeakPolarHBondContact O-CB 3.32Å; L406-L409 PolarHBondContact O-N 3.08Å; L406-L409 VanDerWaalsContact O-N 3.07Å; L407-L409 VanDerWaalsContact C-N 3.34Å; L407-L409 PolarHBondContact O-N 3.35Å; L409-E413 PolarHBondContact O-N 3.5Å; L409-L414 PolarHBondContact O-N 3.39Å |
| 410 | V | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -71.7 | -53.7 | 174.8 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | M363 F393 I400 L406 L407 P408 N412 L414 C415 L440 L444 L448 | M363-V410 HydrophobicContact SD-CG2 3.95Å; F393-V410 HydrophobicContact CZ-CG2 4.29Å; I400-V410 HydrophobicContact CG2-CG2 4.02Å; L406-V410 PolarHBondContact O-N 3.45Å; L407-V410 WeakPolarHBondContact O-CB 3.46Å; L407-V410 PolarHBondContact O-N 3.37Å; L407-V410 VanDerWaalsContact O-N 3.15Å; P408-V410 VanDerWaalsContact C-N 3.26Å; P408-V410 PolarHBondContact O-N 2.92Å; V410-N412 VanDerWaalsContact C-N 3.29Å; V410-N412 PolarHBondContact O-N 2.95Å; V410-L414 HydrophobicContact CG1-CD2 4.48Å; V410-L414 HydrophobicContact CG2-CD2 4.48Å; V410-C415 PolarHBondContact O-N 3.2Å; V410-C415 VanDerWaalsContact O-N 3.15Å; V410-C415 PolarHBondContact O-SG 2.65Å; V410-L440 HydrophobicContact CG1-CD1 3.39Å; V410-L444 HydrophobicContact CG1-CD1 4.27Å; V410-L448 HydrophobicContact CG1-CD1 4.46Å |
| 411 | Q | 94.4 | Very high | 92 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -58.1 | -35.8 | -176.7 | -75 | 179.6 | -42.8 | 0 | 0 | 113.9 | L407 P408 H447 L448 Q451 L859 | L407-Q411 HydrophobicContact CD1-CG 4.02Å; L407-Q411 HydrophobicContact CG-CG 4.1Å; L407-Q411 WeakPolarHBondContact O-CG 3.45Å; L407-Q411 PolarHBondContact O-N 3Å; P408-Q411 PolarHBondContact O-N 2.93Å; Q411-H447 PolarHBondContact NE2-O 3.27Å; Q411-L448 HydrophobicContact CB-CD2 4.33Å; Q411-L448 HydrophobicContact CG-CD2 3.76Å; Q411-Q451 PolarHBondContact O-NE2 3.04Å; Q411-L859 WeakPolarHBondContact O-CD2 3.38Å |
| 412 | N | 93.7 | Very high | 92.1 | Very high | 38 Ų | 38 | 34 Ų | 34 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -104.5 | -83 | -178.6 | 175 | 40.8 | 0 | 0 | 0 | 112.2 | P408 V410 L414 R416 W855 L859 | P408-N412 WeakPolarHBondContact O-CB 3.35Å; P408-N412 PolarHBondContact O-N 2.93Å; V410-N412 VanDerWaalsContact C-N 3.29Å; V410-N412 PolarHBondContact O-N 2.95Å; N412-L414 PolarHBondContact O-N 3.38Å; N412-R416 WeakPolarHBondContact O-CB 3.32Å; N412-R416 PolarHBondContact O-N 3.4Å; N412-R416 VanDerWaalsContact O-N 3.09Å; N412-W855 WeakPolarHBondContact O-CZ2 3.25Å; N412-W855 PolarHBondContact OD1-NE1 2.86Å; N412-L859 HydrophobicContact CB-CD1 3.87Å; N412-L859 HydrophobicContact CB-CD2 4.2Å |
| 413 | E | 93.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 30% | 0.299 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -59.7 | -43.1 | -168.2 | -76.1 | 90.5 | 158.2 | 0 | 0 | 113.2 | I367 L409 N417 | I367-E413 HydrophobicContact CG2-CB 3.61Å; L409-E413 PolarHBondContact O-N 3.5Å; E413-N417 WeakPolarHBondContact O-CB 3.5Å; E413-N417 PolarHBondContact O-N 3.37Å; E413-N417 VanDerWaalsContact O-N 3.12Å; E413-N417 PolarHBondContact O-ND2 3.01Å |
| 414 | L | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -69.6 | -55.3 | 179.5 | -178.9 | 55.8 | 0 | 0 | 0 | 112.5 | I367 L389 F393 L409 V410 N412 R416 N417 L418 L436 | I367-L414 HydrophobicContact CD1-CB 3.94Å; I367-L414 HydrophobicContact CG1-CB 4.06Å; I367-L414 HydrophobicContact CG1-CD1 4.29Å; I367-L414 HydrophobicContact CG2-CB 4.27Å; L389-L414 HydrophobicContact CD1-CD1 3.68Å; F393-L414 HydrophobicContact CE1-CD2 4.46Å; F393-L414 HydrophobicContact CE2-CD2 3.78Å; F393-L414 HydrophobicContact CZ-CD2 3.41Å; F393-L414 VanDerWaalsContact CZ-CD2 3.41Å; L409-L414 PolarHBondContact O-N 3.39Å; V410-L414 HydrophobicContact CG1-CD2 4.48Å; V410-L414 HydrophobicContact CG2-CD2 4.48Å; N412-L414 PolarHBondContact O-N 3.38Å; L414-R416 PolarHBondContact O-N 3.21Å; L414-N417 PolarHBondContact O-N 3.47Å; L414-L418 HydrophobicContact CD1-CD1 3.9Å; L414-L418 HydrophobicContact CD1-CD2 4.16Å; L414-L418 HydrophobicContact CD1-CG 3.8Å; L414-L418 HydrophobicContact CG-CD1 3.87Å; L414-L418 HydrophobicContact CG-CG 4.21Å; L414-L418 WeakPolarHBondContact O-CG 3.17Å; L414-L418 PolarHBondContact O-N 2.91Å; L414-L436 HydrophobicContact CD1-CD2 4.45Å |
| 415 | C | 96.2 | Very high | 91 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.2 | -34.9 | -178.2 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | V410 Y419 Q451 W855 | V410-C415 PolarHBondContact O-N 3.2Å; V410-C415 VanDerWaalsContact O-N 3.15Å; V410-C415 PolarHBondContact O-SG 2.65Å; C415-Y419 VanDerWaalsContact O-CB 3.29Å; C415-Y419 WeakPolarHBondContact O-CB 3.15Å; C415-Y419 PolarHBondContact O-N 3.08Å; C415-Q451 HydrophobicContact CB-CB 4.24Å; C415-Q451 HydrophobicContact CB-CG 3.87Å; C415-W855 HydrophobicContact CB-CH2 3.61Å; C415-W855 HydrophobicContact CB-CZ2 3.89Å |
| 416 | R | 93.3 | Very high | 90.9 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 23% | 0.226 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 176.1 | -166.3 | 177.7 | -171.8 | 146.3 | -3.2 | 112.9 | N412 L414 S420 N852 W855 D856 | N412-R416 WeakPolarHBondContact O-CB 3.32Å; N412-R416 PolarHBondContact O-N 3.4Å; N412-R416 VanDerWaalsContact O-N 3.09Å; L414-R416 PolarHBondContact O-N 3.21Å; R416-S420 WeakPolarHBondContact O-CB 3.37Å; R416-S420 PolarHBondContact O-N 3.22Å; R416-S420 PolarHBondContact O-OG 3.49Å; R416-N852 PolarHBondContact NH2-OD1 3.12Å; R416-W855 HydrophobicContact CB-CD2 4.19Å; R416-W855 HydrophobicContact CB-CH2 4.12Å; R416-W855 HydrophobicContact CB-CZ2 3.68Å; R416-W855 HydrophobicContact CG-CD2 4.06Å; R416-W855 HydrophobicContact CG-CE3 4.47Å; R416-W855 HydrophobicContact CG-CG 4.41Å; R416-W855 HydrophobicContact CG-CZ2 4.46Å; R416-D856 IonicContact NH1-OD1 3.07Å |
| 417 | N | 93.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.2 | -73.1 | -9.6 | 0 | 0 | 0 | 110.8 | I367 E413 L414 Y419 S420 L421 | I367-N417 PolarHBondContact O-ND2 3.28Å; E413-N417 WeakPolarHBondContact O-CB 3.5Å; E413-N417 PolarHBondContact O-N 3.37Å; E413-N417 VanDerWaalsContact O-N 3.12Å; E413-N417 PolarHBondContact O-ND2 3.01Å; L414-N417 PolarHBondContact O-N 3.47Å; N417-Y419 PolarHBondContact O-N 2.78Å; N417-S420 WeakPolarHBondContact O-CB 3.48Å; N417-S420 PolarHBondContact O-N 3.12Å; N417-L421 WeakPolarHBondContact O-CB 3.39Å; N417-L421 VanDerWaalsContact O-CG 3.26Å; N417-L421 WeakPolarHBondContact O-CG 3.46Å; N417-L421 PolarHBondContact O-N 3.36Å |
| 418 | L | 94.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.8 | -62.6 | 175.9 | 0 | 0 | 0 | 111.9 | L386 L414 S420 L421 L422 T433 L436 L440 | L386-L418 HydrophobicContact CD2-CD2 3.83Å; L414-L418 HydrophobicContact CD1-CD1 3.9Å; L414-L418 HydrophobicContact CD1-CD2 4.16Å; L414-L418 HydrophobicContact CD1-CG 3.8Å; L414-L418 HydrophobicContact CG-CD1 3.87Å; L414-L418 HydrophobicContact CG-CG 4.21Å; L414-L418 WeakPolarHBondContact O-CG 3.17Å; L414-L418 PolarHBondContact O-N 2.91Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 3.35Å; L418-L421 PolarHBondContact O-N 2.92Å; L418-L421 VanDerWaalsContact O-N 3.11Å; L418-L422 PolarHBondContact O-N 3.44Å; L418-T433 HydrophobicContact CB-CG2 4.2Å; L418-T433 HydrophobicContact CD2-CG2 3.95Å; L418-L436 HydrophobicContact CD1-CG 4.45Å; L418-L436 HydrophobicContact CD2-CD2 3.98Å; L418-L436 HydrophobicContact CD2-CG 4.41Å; L418-L440 HydrophobicContact CD1-CD2 3.59Å |
| 419 | Y | 91.8 | Very high | 90.5 | Very high | 56 Ų | 56 | 34 Ų | 34 | 22% | 0.22 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -38.4 | 175.2 | -178.6 | -88.5 | 0 | 0 | 0 | 112.5 | C415 N417 M454 R458 | C415-Y419 VanDerWaalsContact O-CB 3.29Å; C415-Y419 WeakPolarHBondContact O-CB 3.15Å; C415-Y419 PolarHBondContact O-N 3.08Å; N417-Y419 PolarHBondContact O-N 2.78Å; Y419-M454 HydrophobicContact CD2-CB 4.41Å; Y419-M454 HydrophobicContact CD2-CE 4.45Å; Y419-M454 HydrophobicContact CE1-CE 4.4Å; Y419-M454 HydrophobicContact CE2-CB 4.32Å; Y419-M454 HydrophobicContact CE2-CE 3.67Å; Y419-R458 HydrophobicContact CD2-CB 4.3Å; Y419-R458 HydrophobicContact CE2-CB 3.75Å; Y419-R458 HydrophobicContact CE2-CG 4.04Å |
| 420 | S | 88.9 | Confident | 90.4 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 13% | 0.133 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | 174.6 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | W373 R416 N417 L418 L422 Q423 | W373-S420 PolarHBondContact NE1-OG 3.28Å; R416-S420 WeakPolarHBondContact O-CB 3.37Å; R416-S420 PolarHBondContact O-N 3.22Å; R416-S420 PolarHBondContact O-OG 3.49Å; N417-S420 WeakPolarHBondContact O-CB 3.48Å; N417-S420 PolarHBondContact O-N 3.12Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 3.35Å; S420-L422 VanDerWaalsContact C-N 3.33Å; S420-L422 PolarHBondContact O-N 3.45Å; S420-Q423 WeakPolarHBondContact O-CB 3.47Å; S420-Q423 PolarHBondContact O-N 2.97Å |
| 421 | L | 91.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.5 | -23.2 | 179.4 | -72.2 | 166 | 0 | 0 | 0 | 113.5 | C370 P372 I382 L386 N417 L418 Q423 T424 T433 | C370-L421 WeakPolarHBondContact O-CD1 3.08Å; P372-L421 HydrophobicContact CB-CD2 4.04Å; P372-L421 HydrophobicContact CG-CD2 4.24Å; P372-L421 HydrophobicContact CG-CG 4.28Å; I382-L421 HydrophobicContact CG2-CD1 4.21Å; I382-L421 HydrophobicContact CG2-CD2 3.75Å; L386-L421 HydrophobicContact CD1-CD1 4.13Å; L386-L421 HydrophobicContact CD2-CD1 3.96Å; L386-L421 HydrophobicContact CG-CD1 4.39Å; N417-L421 WeakPolarHBondContact O-CB 3.39Å; N417-L421 VanDerWaalsContact O-CG 3.26Å; N417-L421 WeakPolarHBondContact O-CG 3.46Å; N417-L421 PolarHBondContact O-N 3.36Å; L418-L421 PolarHBondContact O-N 2.92Å; L418-L421 VanDerWaalsContact O-N 3.11Å; L421-Q423 PolarHBondContact O-N 2.89Å; L421-T424 WeakPolarHBondContact O-CB 3.37Å; L421-T424 WeakPolarHBondContact O-CG2 3.21Å; L421-T424 PolarHBondContact O-N 3.22Å; L421-T433 HydrophobicContact CB-CG2 3.94Å |
| 422 | L | 88.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -6.7 | 167.8 | -70.1 | -178.2 | 0 | 0 | 0 | 113.8 | L418 S420 L430 T433 L434 Y455 R458 L459 L462 | L418-L422 PolarHBondContact O-N 3.44Å; S420-L422 VanDerWaalsContact C-N 3.33Å; S420-L422 PolarHBondContact O-N 3.45Å; L422-L430 HydrophobicContact CD2-CD1 3.83Å; L422-T433 HydrophobicContact CD2-CG2 3.98Å; L422-T433 HydrophobicContact CG-CG2 4.32Å; L422-L434 HydrophobicContact CD2-CD2 3.84Å; L422-Y455 HydrophobicContact CD1-CD2 3.74Å; L422-Y455 HydrophobicContact CD1-CE2 3.9Å; L422-Y455 HydrophobicContact CD2-CE2 4.25Å; L422-Y455 HydrophobicContact CG-CE2 4.45Å; L422-R458 HydrophobicContact CB-CG 4.12Å; L422-R458 HydrophobicContact CD1-CB 4.06Å; L422-R458 HydrophobicContact CD1-CG 3.76Å; L422-L459 HydrophobicContact CD1-CD2 4.01Å; L422-L459 HydrophobicContact CD2-CD2 3.82Å; L422-L462 HydrophobicContact CB-CD1 4.2Å; L422-L462 WeakPolarHBondContact O-CD1 3.38Å |
| 423 | Q | 80.5 | Confident | 90.4 | Very high | 72 Ų | 72 | 32.7 Ų | 32.7 | 34% | 0.336 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 1.3 | 172.3 | -50.8 | -170.7 | 13.6 | 0 | 0 | 113.5 | S420 L421 | S420-Q423 WeakPolarHBondContact O-CB 3.47Å; S420-Q423 PolarHBondContact O-N 2.97Å; L421-Q423 PolarHBondContact O-N 2.89Å |
| 424 | T | 84.2 | Confident | 90.6 | Very high | 30 Ų | 30 | 30 Ų | 30 | 18% | 0.184 | 16% | 0.16 | C | C | . | . | trans | -73.4 | 144.4 | -179.8 | -163.9 | 0 | 0 | 0 | 0 | 112.5 | L421 K426 L429 L430 | L421-T424 WeakPolarHBondContact O-CB 3.37Å; L421-T424 WeakPolarHBondContact O-CG2 3.21Å; L421-T424 PolarHBondContact O-N 3.22Å; T424-K426 PolarHBondContact OG1-N 3.01Å; T424-L429 HydrophobicContact CG2-CB 3.88Å; T424-L430 HydrophobicContact CG2-CB 3.88Å | ||
| 425 | T | 75.9 | Confident | 90.6 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 49% | 0.485 | 18% | 0.183 | S | C | . | . | trans | -91.7 | -5.1 | 170.5 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | V484 | T425-V484 HydrophobicContact CG2-CG2 3.56Š| ||
| 426 | K | 84.9 | Confident | 90.6 | Very high | 93 Ų | 93 | 35.6 Ų | 35.6 | 40% | 0.404 | 18% | 0.181 | S | C | . | . | trans | -85.2 | 115.1 | 179.7 | -71.3 | -172.6 | 169.9 | -176.4 | 0 | 111.2 | D379 T424 S428 L429 L430 | D379-K426 HydrophobicContact CB-CD 4.21Å; D379-K426 IonicContact OD1-NZ 3.61Å; D379-K426 IonicContact OD2-NZ 3.05Å; D379-K426 PolarHBondContact OD2-NZ 3.25Å; T424-K426 PolarHBondContact OG1-N 3.01Å; K426-S428 VanDerWaalsContact C-N 3.32Å; K426-S428 PolarHBondContact O-N 3.46Å; K426-L429 HydrophobicContact CB-CB 4.25Å; K426-L429 HydrophobicContact CB-CD1 4.21Å; K426-L429 HydrophobicContact CB-CG 4.21Å; K426-L429 HydrophobicContact CD-CD1 4.24Å; K426-L429 PolarHBondContact O-N 3.13Å; K426-L430 PolarHBondContact O-N 3.07Å | ||
| 427 | V | 86.5 | Confident | 90.7 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.5 | -38.6 | -176.5 | 178.8 | 0 | 0 | 0 | 0 | 112.8 | S431 L492 L495 | V427-S431 VanDerWaalsContact O-CB 3.25Å; V427-S431 WeakPolarHBondContact O-CB 3.38Å; V427-S431 PolarHBondContact O-N 3.08Å; V427-L492 HydrophobicContact CG2-CD2 4.28Å; V427-L495 HydrophobicContact CG1-CD1 3.67Å |
| 428 | S | 89.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 35 Ų | 35 | 37% | 0.371 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.5 | -50.4 | 177.4 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | E383 K426 L430 S431 L432 | E383-S428 WeakPolarHBondContact OE2-CB 3.05Å; E383-S428 PolarHBondContact OE2-OG 2.85Å; K426-S428 VanDerWaalsContact C-N 3.32Å; K426-S428 PolarHBondContact O-N 3.46Å; S428-L430 PolarHBondContact O-N 2.94Å; S428-S431 PolarHBondContact O-N 3.31Å; S428-L432 PolarHBondContact O-N 3.42Å |
| 429 | L | 92.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 177.2 | -66.5 | -174.8 | 0 | 0 | 0 | 112.1 | D379 I382 E383 L386 T424 K426 T433 | D379-L429 HydrophobicContact CB-CD1 4.11Å; D379-L429 VanDerWaalsContact OD1-CD1 3.31Å; D379-L429 WeakPolarHBondContact OD1-CD1 3.44Å; I382-L429 HydrophobicContact CB-CD2 4.24Å; I382-L429 HydrophobicContact CG2-CD1 4.5Å; I382-L429 HydrophobicContact CG2-CD2 3.9Å; E383-L429 HydrophobicContact CB-CD2 3.73Å; E383-L429 HydrophobicContact CG-CD2 4.16Å; L386-L429 HydrophobicContact CD1-CD2 4.14Å; T424-L429 HydrophobicContact CG2-CB 3.88Å; K426-L429 HydrophobicContact CB-CB 4.25Å; K426-L429 HydrophobicContact CB-CD1 4.21Å; K426-L429 HydrophobicContact CB-CG 4.21Å; K426-L429 HydrophobicContact CD-CD1 4.24Å; K426-L429 PolarHBondContact O-N 3.13Å; L429-T433 VanDerWaalsContact O-CB 3.28Å; L429-T433 WeakPolarHBondContact O-CB 3.38Å; L429-T433 PolarHBondContact O-N 2.81Å; L429-T433 PolarHBondContact O-OG1 3.08Å |
| 430 | L | 91.7 | Very high | 91 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 176.8 | -174.9 | 63.3 | 0 | 0 | 0 | 111.2 | L422 T424 K426 S428 L432 T433 L434 L492 V496 | L422-L430 HydrophobicContact CD2-CD1 3.83Å; T424-L430 HydrophobicContact CG2-CB 3.88Å; K426-L430 PolarHBondContact O-N 3.07Å; S428-L430 PolarHBondContact O-N 2.94Å; L430-L432 PolarHBondContact O-N 3.44Å; L430-T433 PolarHBondContact O-N 2.73Å; L430-T433 VanDerWaalsContact O-N 3.16Å; L430-L434 HydrophobicContact CD1-CD1 4.2Å; L430-L434 HydrophobicContact CD1-CD2 4.47Å; L430-L434 HydrophobicContact CD1-CG 4.05Å; L430-L434 HydrophobicContact CD2-CD1 4.32Å; L430-L434 HydrophobicContact CG-CD1 3.83Å; L430-L434 HydrophobicContact CG-CG 4.13Å; L430-L434 WeakPolarHBondContact O-CB 3.32Å; L430-L434 VanDerWaalsContact O-CG 3.29Å; L430-L434 WeakPolarHBondContact O-CG 3.3Å; L430-L434 PolarHBondContact O-N 2.63Å; L430-L492 HydrophobicContact CD2-CD2 3.49Å; L430-L492 VanDerWaalsContact CD2-CD2 3.49Å; L430-V496 HydrophobicContact CD2-CG2 4.33Å |
| 431 | S | 93.7 | Very high | 91.3 | Very high | 43 Ų | 43 | 33 Ų | 33 | 30% | 0.301 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | V427 S428 L434 R435 | V427-S431 VanDerWaalsContact O-CB 3.25Å; V427-S431 WeakPolarHBondContact O-CB 3.38Å; V427-S431 PolarHBondContact O-N 3.08Å; S428-S431 PolarHBondContact O-N 3.31Å; S431-L434 PolarHBondContact O-N 3.31Å; S431-R435 WeakPolarHBondContact O-CB 3.31Å; S431-R435 WeakPolarHBondContact O-CG 3.24Å; S431-R435 PolarHBondContact O-N 3.04Å |
| 432 | L | 95.5 | Very high | 91.3 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 173.9 | -70.8 | 175.3 | 0 | 0 | 0 | 112.4 | E383 L386 L390 S428 L430 R435 L436 | E383-L432 HydrophobicContact CG-CD1 3.56Å; L386-L432 HydrophobicContact CB-CB 4.02Å; L386-L432 HydrophobicContact CB-CD1 4.11Å; L386-L432 HydrophobicContact CD1-CB 4.04Å; L390-L432 HydrophobicContact CD2-CD2 3.85Å; S428-L432 PolarHBondContact O-N 3.42Å; L430-L432 PolarHBondContact O-N 3.44Å; L432-R435 PolarHBondContact O-N 2.67Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.49Å; L432-L436 PolarHBondContact O-N 3.31Å |
| 433 | T | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 177 | -60 | 0 | 0 | 0 | 0 | 111.5 | L418 L421 L422 L429 L430 G437 | L418-T433 HydrophobicContact CB-CG2 4.2Å; L418-T433 HydrophobicContact CD2-CG2 3.95Å; L421-T433 HydrophobicContact CB-CG2 3.94Å; L422-T433 HydrophobicContact CD2-CG2 3.98Å; L422-T433 HydrophobicContact CG-CG2 4.32Å; L429-T433 VanDerWaalsContact O-CB 3.28Å; L429-T433 WeakPolarHBondContact O-CB 3.38Å; L429-T433 PolarHBondContact O-N 2.81Å; L429-T433 PolarHBondContact O-OG1 3.08Å; L430-T433 PolarHBondContact O-N 2.73Å; L430-T433 VanDerWaalsContact O-N 3.16Å; T433-G437 PolarHBondContact O-N 3.19Å |
| 434 | L | 95.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | 177.4 | -68.9 | 173.9 | 0 | 0 | 0 | 112.1 | L422 L430 S431 F438 L459 L495 V496 A499 | L422-L434 HydrophobicContact CD2-CD2 3.84Å; L430-L434 HydrophobicContact CD1-CD1 4.2Å; L430-L434 HydrophobicContact CD1-CD2 4.47Å; L430-L434 HydrophobicContact CD1-CG 4.05Å; L430-L434 HydrophobicContact CD2-CD1 4.32Å; L430-L434 HydrophobicContact CG-CD1 3.83Å; L430-L434 HydrophobicContact CG-CG 4.13Å; L430-L434 WeakPolarHBondContact O-CB 3.32Å; L430-L434 VanDerWaalsContact O-CG 3.29Å; L430-L434 WeakPolarHBondContact O-CG 3.3Å; L430-L434 PolarHBondContact O-N 2.63Å; S431-L434 PolarHBondContact O-N 3.31Å; L434-F438 WeakPolarHBondContact O-CB 3.42Å; L434-F438 PolarHBondContact O-N 3.13Å; L434-L459 HydrophobicContact CD2-CD1 4.34Å; L434-L459 HydrophobicContact CD2-CD2 3.58Å; L434-L495 HydrophobicContact CD1-CB 4.23Å; L434-L495 HydrophobicContact CD1-CD2 4.38Å; L434-V496 HydrophobicContact CD1-CG2 4.33Å; L434-A499 HydrophobicContact CB-CB 4.09Å; L434-A499 HydrophobicContact CD1-CB 4.14Å; L434-A499 HydrophobicContact CD2-CB 3.92Å; L434-A499 HydrophobicContact CG-CB 4.27Å |
| 435 | R | 96.9 | Very high | 92.3 | Very high | 124 Ų | 124 | 32.1 Ų | 32.1 | 47% | 0.468 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64 | -45.3 | 174.3 | -79.7 | -177.7 | 62.4 | 175.3 | -3 | 112.3 | L390 E394 S431 L432 F438 L439 | L390-R435 HydrophobicContact CD1-CB 4.03Å; E394-R435 IonicContact OE1-CZ 3.17Å; E394-R435 IonicContact OE1-NH2 3.54Å; E394-R435 PolarHBondContact OE1-NH2 3.15Å; S431-R435 WeakPolarHBondContact O-CB 3.31Å; S431-R435 WeakPolarHBondContact O-CG 3.24Å; S431-R435 PolarHBondContact O-N 3.04Å; L432-R435 PolarHBondContact O-N 2.67Å; R435-F438 PolarHBondContact O-N 3.3Å; R435-L439 PolarHBondContact O-N 3.39Å |
| 436 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | 178.9 | -172.9 | 57.6 | 0 | 0 | 0 | 111 | L386 L389 L390 F393 L414 L418 L432 L440 | L386-L436 HydrophobicContact CD2-CD2 3.88Å; L389-L436 HydrophobicContact CB-CD1 4.11Å; L389-L436 HydrophobicContact CB-CD2 3.64Å; L389-L436 HydrophobicContact CD1-CD2 4Å; L389-L436 HydrophobicContact CG-CD2 4.49Å; L390-L436 HydrophobicContact CD1-CB 4.47Å; L390-L436 HydrophobicContact CD1-CD1 4.49Å; F393-L436 HydrophobicContact CB-CD1 4.17Å; F393-L436 HydrophobicContact CD2-CD1 3.34Å; F393-L436 HydrophobicContact CD2-CG 4.4Å; F393-L436 HydrophobicContact CE2-CD1 3.83Å; F393-L436 HydrophobicContact CG-CD1 3.82Å; L414-L436 HydrophobicContact CD1-CD2 4.45Å; L418-L436 HydrophobicContact CD1-CG 4.45Å; L418-L436 HydrophobicContact CD2-CD2 3.98Å; L418-L436 HydrophobicContact CD2-CG 4.41Å; L432-L436 VanDerWaalsContact O-CB 3.26Å; L432-L436 WeakPolarHBondContact O-CB 3.49Å; L432-L436 PolarHBondContact O-N 3.31Å; L436-L440 WeakPolarHBondContact O-CB 3.19Å; L436-L440 PolarHBondContact O-N 2.94Å |
| 437 | G | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T433 L440 F441 | T433-G437 PolarHBondContact O-N 3.19Å; G437-L440 PolarHBondContact O-N 2.89Å; G437-F441 WeakPolarHBondContact O-CD2 3.26Å; G437-F441 PolarHBondContact O-N 3.47Å |
| 438 | F | 96.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 27 Ų | 27 | 27% | 0.268 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -58.4 | -52.2 | 175.4 | 170.8 | -95.5 | 0 | 0 | 0 | 111.5 | L434 R435 L440 F441 E442 A502 L503 V506 | L434-F438 WeakPolarHBondContact O-CB 3.42Å; L434-F438 PolarHBondContact O-N 3.13Å; R435-F438 PolarHBondContact O-N 3.3Å; F438-L440 PolarHBondContact O-N 3.45Å; F438-F441 PolarHBondContact O-N 3.39Å; F438-E442 HydrophobicContact CZ-CB 4.47Å; F438-E442 HydrophobicContact CZ-CG 4.39Å; F438-E442 WeakPolarHBondContact O-CB 3.4Å; F438-E442 PolarHBondContact O-N 2.65Å; F438-A502 HydrophobicContact CD2-CB 3.88Å; F438-A502 HydrophobicContact CE2-CB 3.89Å; F438-L503 HydrophobicContact CD2-CD2 3.73Å; F438-L503 HydrophobicContact CD2-CG 4.06Å; F438-L503 HydrophobicContact CE2-CD2 4.16Å; F438-V506 HydrophobicContact CE2-CG2 3.93Å; F438-V506 HydrophobicContact CZ-CG2 4.24Å |
| 439 | L | 95.2 | Very high | 93.9 | Very high | 33 Ų | 33 | 25 Ų | 25 | 17% | 0.173 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 177.2 | -63.9 | 178.1 | 0 | 0 | 0 | 111.3 | L390 F393 E394 I397 R435 F441 E442 S443 | L390-L439 HydrophobicContact CD1-CD1 3.79Å; F393-L439 HydrophobicContact CB-CB 4.49Å; F393-L439 HydrophobicContact CB-CD1 4.03Å; E394-L439 HydrophobicContact CG-CD1 3.59Å; I397-L439 VanDerWaalsContact CD1-C 3.44Å; I397-L439 HydrophobicContact CD1-CB 4.17Å; I397-L439 WeakPolarHBondContact CD1-O 3.02Å; R435-L439 PolarHBondContact O-N 3.39Å; L439-F441 VanDerWaalsContact C-N 3.32Å; L439-F441 PolarHBondContact O-N 3.48Å; L439-E442 PolarHBondContact O-N 3.5Å; L439-S443 PolarHBondContact O-N 2.94Å |
| 440 | L | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -51.6 | -48.5 | 179.6 | 177.1 | 57.1 | 0 | 0 | 0 | 112.4 | F393 V410 L418 L436 G437 F438 L444 L448 | F393-L440 HydrophobicContact CE2-CB 4.21Å; F393-L440 HydrophobicContact CE2-CD1 4.07Å; V410-L440 HydrophobicContact CG1-CD1 3.39Å; L418-L440 HydrophobicContact CD1-CD2 3.59Å; L436-L440 WeakPolarHBondContact O-CB 3.19Å; L436-L440 PolarHBondContact O-N 2.94Å; G437-L440 PolarHBondContact O-N 2.89Å; F438-L440 PolarHBondContact O-N 3.45Å; L440-L444 HydrophobicContact CD1-CB 4.48Å; L440-L444 HydrophobicContact CD1-CD1 4.14Å; L440-L444 WeakPolarHBondContact O-CA 3.39Å; L440-L444 WeakPolarHBondContact O-CB 3.34Å; L440-L444 PolarHBondContact O-N 3.2Å; L440-L448 HydrophobicContact CD1-CD1 3.45Å; L440-L448 VanDerWaalsContact CD1-CD1 3.45Å; L440-L448 HydrophobicContact CG-CD1 3.91Å |
| 441 | F | 94.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -89.1 | -17.8 | -178.1 | -64.1 | -60.2 | 0 | 0 | 0 | 114.2 | G437 F438 L439 R445 L448 Q451 L452 Y455 | G437-F441 WeakPolarHBondContact O-CD2 3.26Å; G437-F441 PolarHBondContact O-N 3.47Å; F438-F441 PolarHBondContact O-N 3.39Å; L439-F441 VanDerWaalsContact C-N 3.32Å; L439-F441 PolarHBondContact O-N 3.48Å; F441-R445 VanDerWaalsContact O-CB 3.26Å; F441-R445 WeakPolarHBondContact O-CB 3.35Å; F441-R445 VanDerWaalsContact O-CD 3.24Å; F441-R445 WeakPolarHBondContact O-CD 3.46Å; F441-R445 WeakPolarHBondContact O-CG 3.34Å; F441-L448 HydrophobicContact CD1-CB 4.33Å; F441-L448 HydrophobicContact CD1-CD1 4.32Å; F441-L448 HydrophobicContact CE1-CB 4.09Å; F441-L448 HydrophobicContact CE1-CD1 4.22Å; F441-Q451 HydrophobicContact CE1-CB 4.09Å; F441-Q451 HydrophobicContact CZ-CB 4.31Å; F441-L452 HydrophobicContact CB-CD1 3.91Å; F441-L452 HydrophobicContact CD1-CB 3.72Å; F441-L452 HydrophobicContact CD1-CD1 3.86Å; F441-L452 HydrophobicContact CD1-CG 4.27Å; F441-L452 HydrophobicContact CD2-CD1 4.3Å; F441-L452 HydrophobicContact CE1-CB 3.83Å; F441-L452 HydrophobicContact CE1-CD1 4.47Å; F441-L452 HydrophobicContact CG-CB 4.49Å; F441-L452 HydrophobicContact CG-CD1 3.76Å; F441-Y455 AromaticContact CD2-CD1 3.61Å; F441-Y455 HydrophobicContact CD2-CD1 3.61Å; F441-Y455 HydrophobicContact CD2-CD2 4.37Å; F441-Y455 AromaticContact CD2-CE1 3.83Å; F441-Y455 HydrophobicContact CD2-CE1 3.83Å; F441-Y455 AromaticContact CD2-CG 3.9Å; F441-Y455 HydrophobicContact CD2-CG 3.9Å; F441-Y455 AromaticContact CE2-CD1 3.55Å; F441-Y455 HydrophobicContact CE2-CD1 3.55Å; F441-Y455 AromaticContact CE2-CD2 3.6Å; F441-Y455 HydrophobicContact CE2-CD2 3.6Å; F441-Y455 HydrophobicContact CE2-CE1 4.03Å; F441-Y455 HydrophobicContact CE2-CE2 4.09Å; F441-Y455 AromaticContact CE2-CG 3.3Å; F441-Y455 HydrophobicContact CE2-CG 3.3Å; F441-Y455 HydrophobicContact CZ-CD2 4.43Å; F441-Y455 HydrophobicContact CZ-CG 4.04Å |
| 442 | E | 91.9 | Very high | 94.3 | Very high | 48 Ų | 48 | 23.2 Ų | 23.2 | 22% | 0.224 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.2 | -52.5 | 168 | -170.6 | -87.7 | -176.6 | 0 | 0 | 109.8 | F438 L439 R445 V506 | F438-E442 HydrophobicContact CZ-CB 4.47Å; F438-E442 HydrophobicContact CZ-CG 4.39Å; F438-E442 WeakPolarHBondContact O-CB 3.4Å; F438-E442 PolarHBondContact O-N 2.65Å; L439-E442 PolarHBondContact O-N 3.5Å; E442-R445 PolarHBondContact O-NH1 3.39Å; E442-V506 HydrophobicContact CG-CG1 4.12Å; E442-V506 HydrophobicContact CG-CG2 4Å |
| 443 | S | 90.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 22.9 Ų | 22.9 | 20% | 0.196 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -91.7 | -34.7 | -170.3 | -64.1 | 0 | 0 | 0 | 0 | 114.9 | I397 L439 | I397-S443 WeakPolarHBondContact CG2-OG 3.33Å; L439-S443 PolarHBondContact O-N 2.94Å |
| 444 | L | 92.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -110 | 10.4 | -171.5 | -61.6 | 175.9 | 0 | 0 | 0 | 114.8 | I397 I400 V410 L440 V446 H447 L448 | I397-L444 HydrophobicContact CD1-CD1 4.22Å; I397-L444 HydrophobicContact CD1-CG 4.24Å; I397-L444 HydrophobicContact CG1-CD1 3.84Å; I397-L444 HydrophobicContact CG1-CG 3.88Å; I400-L444 HydrophobicContact CB-CD1 4.13Å; I400-L444 HydrophobicContact CG2-CD1 4.04Å; V410-L444 HydrophobicContact CG1-CD1 4.27Å; L440-L444 HydrophobicContact CD1-CB 4.48Å; L440-L444 HydrophobicContact CD1-CD1 4.14Å; L440-L444 WeakPolarHBondContact O-CA 3.39Å; L440-L444 WeakPolarHBondContact O-CB 3.34Å; L440-L444 PolarHBondContact O-N 3.2Å; L444-V446 PolarHBondContact O-N 3.29Å; L444-H447 PolarHBondContact O-N 3.24Å; L444-L448 HydrophobicContact CB-CD1 3.69Å; L444-L448 HydrophobicContact CB-CG 4.49Å; L444-L448 WeakPolarHBondContact O-CG 3.5Å |
| 445 | R | 92.1 | Very high | 94 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 3% | 0.034 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -50.2 | -31.9 | -179.5 | 52.6 | -169.2 | -162.4 | -111.7 | 17 | 115.1 | F441 E442 H447 L448 K449 L452 E512 F869 | F441-R445 VanDerWaalsContact O-CB 3.26Å; F441-R445 WeakPolarHBondContact O-CB 3.35Å; F441-R445 VanDerWaalsContact O-CD 3.24Å; F441-R445 WeakPolarHBondContact O-CD 3.46Å; F441-R445 WeakPolarHBondContact O-CG 3.34Å; E442-R445 PolarHBondContact O-NH1 3.39Å; R445-H447 PolarHBondContact O-N 3.44Å; R445-L448 PolarHBondContact O-N 2.92Å; R445-K449 PolarHBondContact O-N 2.88Å; R445-L452 HydrophobicContact CB-CD2 3.98Å; R445-E512 IonicContact CZ-OE2 2.67Å; R445-E512 IonicContact NE-OE2 3.9Å; R445-E512 PolarHBondContact NE-OE2 3.06Å; R445-E512 VanDerWaalsContact NH2-CD 3.27Å; R445-E512 IonicContact NH2-OE1 3.61Å; R445-E512 PolarHBondContact NH2-OE1 3.01Å; R445-E512 IonicContact NH2-OE2 2.91Å; R445-E512 PolarHBondContact NH2-OE2 2.96Å; R445-F869 HydrophobicContact CB-CE2 4.45Å; R445-F869 HydrophobicContact CB-CZ 4.27Å; R445-F869 HydrophobicContact CG-CE1 4.14Å; R445-F869 HydrophobicContact CG-CZ 4.04Å |
| 446 | V | 89.6 | Confident | 94 | Very high | 52 Ų | 52 | 19.8 Ų | 19.8 | 32% | 0.315 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -55.6 | -34.4 | 176 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | L444 F869 H871 | L444-V446 PolarHBondContact O-N 3.29Å; V446-F869 HydrophobicContact CG2-CD1 4.2Å; V446-H871 WeakPolarHBondContact CG2-NE2 3.4Å |
| 447 | H | 90.9 | Very high | 93.8 | Very high | 71 Ų | 71 | 22.3 Ų | 22.3 | 33% | 0.329 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | -99.1 | 3.5 | -178.2 | -52.9 | -77 | 0 | 0 | 0 | 113.2 | L407 Q411 L444 R445 | L407-H447 HydrophobicContact CD1-CB 3.83Å; L407-H447 HydrophobicContact CD2-CB 4.05Å; L407-H447 HydrophobicContact CG-CB 4.49Å; Q411-H447 PolarHBondContact NE2-O 3.27Å; L444-H447 PolarHBondContact O-N 3.24Å; R445-H447 PolarHBondContact O-N 3.44Å |
| 448 | L | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -137.3 | 22.8 | -162 | -66.1 | 174.4 | 0 | 0 | 0 | 113.6 | V410 Q411 L440 F441 L444 R445 F450 Q451 L452 | V410-L448 HydrophobicContact CG1-CD1 4.46Å; Q411-L448 HydrophobicContact CB-CD2 4.33Å; Q411-L448 HydrophobicContact CG-CD2 3.76Å; L440-L448 HydrophobicContact CD1-CD1 3.45Å; L440-L448 VanDerWaalsContact CD1-CD1 3.45Å; L440-L448 HydrophobicContact CG-CD1 3.91Å; F441-L448 HydrophobicContact CD1-CB 4.33Å; F441-L448 HydrophobicContact CD1-CD1 4.32Å; F441-L448 HydrophobicContact CE1-CB 4.09Å; F441-L448 HydrophobicContact CE1-CD1 4.22Å; L444-L448 HydrophobicContact CB-CD1 3.69Å; L444-L448 HydrophobicContact CB-CG 4.49Å; L444-L448 WeakPolarHBondContact O-CG 3.5Å; R445-L448 PolarHBondContact O-N 2.92Å; L448-F450 PolarHBondContact O-N 3.12Å; L448-Q451 HydrophobicContact CB-CB 4.31Å; L448-Q451 HydrophobicContact CD2-CB 4.27Å; L448-Q451 HydrophobicContact CD2-CG 4.12Å; L448-Q451 PolarHBondContact O-N 3.13Å; L448-Q451 VanDerWaalsContact O-N 3.11Å; L448-Q451 PolarHBondContact O-OE1 2.79Å; L448-L452 WeakPolarHBondContact O-CB 3.28Å; L448-L452 PolarHBondContact O-N 3.25Å | ||
| 449 | K | 94.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 4% | 0.043 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -44.3 | -56.2 | -175.5 | -178.1 | 178.8 | 173.4 | -177.2 | 0 | 113.4 | R445 L452 E453 N516 Y517 D520 Q866 R868 F869 | R445-K449 PolarHBondContact O-N 2.88Å; K449-L452 PolarHBondContact O-N 3.04Å; K449-E453 PolarHBondContact O-N 3.23Å; K449-N516 WeakPolarHBondContact CE-O 3.41Å; K449-Y517 WeakPolarHBondContact CA-OH 3.19Å; K449-Y517 HydrophobicContact CG-CE1 3.7Å; K449-Y517 WeakPolarHBondContact O-CE1 3.14Å; K449-Y517 PolarHBondContact O-OH 2.75Å; K449-D520 IonicContact NZ-OD2 3.46Å; K449-D520 PolarHBondContact NZ-OD2 3.35Å; K449-Q866 WeakPolarHBondContact CD-O 3.21Å; K449-Q866 PolarHBondContact NZ-O 3.32Å; K449-R868 PolarHBondContact NZ-O 3.09Å; K449-F869 HydrophobicContact CB-CD2 4.3Å; K449-F869 HydrophobicContact CG-CD2 4.37Å |
| 450 | F | 94.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -78 | -28 | -177.3 | -57.8 | -62.8 | 0 | 0 | 0 | 113.6 | L448 L452 E453 M454 L858 R861 Q866 | L448-F450 PolarHBondContact O-N 3.12Å; F450-L452 VanDerWaalsContact C-N 3.31Å; F450-E453 WeakPolarHBondContact CD1-OE2 3.48Å; F450-E453 PolarHBondContact O-N 2.87Å; F450-M454 PolarHBondContact O-N 3.46Å; F450-L858 HydrophobicContact CB-CD1 4.02Å; F450-L858 HydrophobicContact CB-CD2 3.94Å; F450-L858 HydrophobicContact CB-CG 3.59Å; F450-R861 HydrophobicContact CD2-CB 4.02Å; F450-R861 HydrophobicContact CE2-CB 3.68Å; F450-R861 HydrophobicContact CZ-CB 4.26Å; F450-Q866 HydrophobicContact CE2-CB 4.35Å; F450-Q866 HydrophobicContact CZ-CB 3.95Å; F450-Q866 VanDerWaalsContact CZ-O 3.31Å; F450-Q866 WeakPolarHBondContact CZ-O 3.46Å |
| 451 | Q | 95.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 171.1 | -66.8 | 86.7 | -22 | 0 | 0 | 111.1 | Q411 C415 F441 L448 Y455 W855 L858 | Q411-Q451 PolarHBondContact O-NE2 3.04Å; C415-Q451 HydrophobicContact CB-CB 4.24Å; C415-Q451 HydrophobicContact CB-CG 3.87Å; F441-Q451 HydrophobicContact CE1-CB 4.09Å; F441-Q451 HydrophobicContact CZ-CB 4.31Å; L448-Q451 HydrophobicContact CB-CB 4.31Å; L448-Q451 HydrophobicContact CD2-CB 4.27Å; L448-Q451 HydrophobicContact CD2-CG 4.12Å; L448-Q451 PolarHBondContact O-N 3.13Å; L448-Q451 VanDerWaalsContact O-N 3.11Å; L448-Q451 PolarHBondContact O-OE1 2.79Å; Q451-Y455 VanDerWaalsContact O-CB 3.26Å; Q451-Y455 WeakPolarHBondContact O-CB 3.34Å; Q451-Y455 PolarHBondContact O-N 3.42Å; Q451-W855 HydrophobicContact CG-CH2 4.11Å; Q451-W855 HydrophobicContact CG-CZ2 4.48Å; Q451-L858 HydrophobicContact CG-CD2 3.9Å |
| 452 | L | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.8 | -42.1 | 174.4 | 175.8 | 54.9 | 0 | 0 | 0 | 111.4 | F441 R445 L448 K449 F450 Y455 L456 F509 | F441-L452 HydrophobicContact CB-CD1 3.91Å; F441-L452 HydrophobicContact CD1-CB 3.72Å; F441-L452 HydrophobicContact CD1-CD1 3.86Å; F441-L452 HydrophobicContact CD1-CG 4.27Å; F441-L452 HydrophobicContact CD2-CD1 4.3Å; F441-L452 HydrophobicContact CE1-CB 3.83Å; F441-L452 HydrophobicContact CE1-CD1 4.47Å; F441-L452 HydrophobicContact CG-CB 4.49Å; F441-L452 HydrophobicContact CG-CD1 3.76Å; R445-L452 HydrophobicContact CB-CD2 3.98Å; L448-L452 WeakPolarHBondContact O-CB 3.28Å; L448-L452 PolarHBondContact O-N 3.25Å; K449-L452 PolarHBondContact O-N 3.04Å; F450-L452 VanDerWaalsContact C-N 3.31Å; L452-Y455 PolarHBondContact O-N 3.09Å; L452-L456 HydrophobicContact CD1-CD1 3.67Å; L452-L456 HydrophobicContact CD1-CG 3.79Å; L452-L456 HydrophobicContact CG-CD1 3.98Å; L452-L456 HydrophobicContact CG-CG 4.49Å; L452-L456 WeakPolarHBondContact O-CB 3.23Å; L452-L456 WeakPolarHBondContact O-CG 3.45Å; L452-L456 PolarHBondContact O-N 2.82Å; L452-F509 HydrophobicContact CD1-CZ 4.42Å; L452-F509 HydrophobicContact CD2-CE2 4Å; L452-F509 HydrophobicContact CD2-CZ 4.43Å |
| 453 | E | 94.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 22.1 Ų | 22.1 | 8% | 0.084 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.5 | -52.4 | 172 | 179.1 | 171.8 | -134.7 | 0 | 0 | 111.6 | K449 F450 Y455 L456 L457 Y517 C523 S524 L526 | K449-E453 PolarHBondContact O-N 3.23Å; F450-E453 WeakPolarHBondContact CD1-OE2 3.48Å; F450-E453 PolarHBondContact O-N 2.87Å; E453-Y455 VanDerWaalsContact C-N 3.34Å; E453-Y455 PolarHBondContact O-N 3.37Å; E453-L456 PolarHBondContact O-N 3.38Å; E453-L457 HydrophobicContact CG-CD1 3.78Å; E453-L457 HydrophobicContact CG-CG 4.49Å; E453-L457 WeakPolarHBondContact O-CB 3.11Å; E453-L457 VanDerWaalsContact O-CG 3.23Å; E453-L457 WeakPolarHBondContact O-CG 3.42Å; E453-L457 PolarHBondContact O-N 3.21Å; E453-Y517 HydrophobicContact CB-CD1 4.3Å; E453-Y517 HydrophobicContact CB-CE1 3.93Å; E453-C523 WeakPolarHBondContact OE1-CA 3.29Å; E453-C523 WeakPolarHBondContact OE1-CB 3.47Å; E453-S524 PolarHBondContact OE1-N 3.45Å; E453-L526 HydrophobicContact CB-CD1 4.15Å; E453-L526 HydrophobicContact CG-CD1 4.23Å; E453-L526 HydrophobicContact CG-CD2 4.39Å |
| 454 | M | 92.3 | Very high | 91.4 | Very high | 59 Ų | 59 | 23.9 Ų | 23.9 | 29% | 0.291 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 176.9 | -78.2 | -67.3 | -71.5 | 0 | 0 | 113.1 | Y419 F450 R458 L858 | Y419-M454 HydrophobicContact CD2-CB 4.41Å; Y419-M454 HydrophobicContact CD2-CE 4.45Å; Y419-M454 HydrophobicContact CE1-CE 4.4Å; Y419-M454 HydrophobicContact CE2-CB 4.32Å; Y419-M454 HydrophobicContact CE2-CE 3.67Å; F450-M454 PolarHBondContact O-N 3.46Å; M454-R458 WeakPolarHBondContact O-CB 3.42Å; M454-R458 PolarHBondContact O-N 2.94Å; M454-R458 VanDerWaalsContact O-N 3.08Å; M454-L858 HydrophobicContact CB-CD1 4.3Å; M454-L858 HydrophobicContact CG-CD1 3.36Å |
| 455 | Y | 95 | Very high | 90.2 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.6 | -50.4 | 177.7 | 179.7 | -101.2 | 0 | 0 | 0 | 111.4 | L422 F441 Q451 L452 E453 R458 L459 L503 | L422-Y455 HydrophobicContact CD1-CD2 3.74Å; L422-Y455 HydrophobicContact CD1-CE2 3.9Å; L422-Y455 HydrophobicContact CD2-CE2 4.25Å; L422-Y455 HydrophobicContact CG-CE2 4.45Å; F441-Y455 AromaticContact CD2-CD1 3.61Å; F441-Y455 HydrophobicContact CD2-CD1 3.61Å; F441-Y455 HydrophobicContact CD2-CD2 4.37Å; F441-Y455 AromaticContact CD2-CE1 3.83Å; F441-Y455 HydrophobicContact CD2-CE1 3.83Å; F441-Y455 AromaticContact CD2-CG 3.9Å; F441-Y455 HydrophobicContact CD2-CG 3.9Å; F441-Y455 AromaticContact CE2-CD1 3.55Å; F441-Y455 HydrophobicContact CE2-CD1 3.55Å; F441-Y455 AromaticContact CE2-CD2 3.6Å; F441-Y455 HydrophobicContact CE2-CD2 3.6Å; F441-Y455 HydrophobicContact CE2-CE1 4.03Å; F441-Y455 HydrophobicContact CE2-CE2 4.09Å; F441-Y455 AromaticContact CE2-CG 3.3Å; F441-Y455 HydrophobicContact CE2-CG 3.3Å; F441-Y455 HydrophobicContact CZ-CD2 4.43Å; F441-Y455 HydrophobicContact CZ-CG 4.04Å; Q451-Y455 VanDerWaalsContact O-CB 3.26Å; Q451-Y455 WeakPolarHBondContact O-CB 3.34Å; Q451-Y455 PolarHBondContact O-N 3.42Å; L452-Y455 PolarHBondContact O-N 3.09Å; E453-Y455 VanDerWaalsContact C-N 3.34Å; E453-Y455 PolarHBondContact O-N 3.37Å; Y455-R458 PolarHBondContact O-N 2.85Å; Y455-L459 HydrophobicContact CD1-CD1 4.13Å; Y455-L459 HydrophobicContact CD1-CG 4.39Å; Y455-L459 HydrophobicContact CE1-CD1 3.54Å; Y455-L459 HydrophobicContact CE1-CG 4.14Å; Y455-L459 WeakPolarHBondContact O-CG 3.42Å; Y455-L459 PolarHBondContact O-N 3.16Å; Y455-L503 HydrophobicContact CE1-CD1 4.24Å |
| 456 | L | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 179.3 | -74.7 | 172.6 | 0 | 0 | 0 | 111.9 | L452 E453 R458 L459 M460 L500 L503 F509 L513 L526 L530 | L452-L456 HydrophobicContact CD1-CD1 3.67Å; L452-L456 HydrophobicContact CD1-CG 3.79Å; L452-L456 HydrophobicContact CG-CD1 3.98Å; L452-L456 HydrophobicContact CG-CG 4.49Å; L452-L456 WeakPolarHBondContact O-CB 3.23Å; L452-L456 WeakPolarHBondContact O-CG 3.45Å; L452-L456 PolarHBondContact O-N 2.82Å; E453-L456 PolarHBondContact O-N 3.38Å; L456-R458 PolarHBondContact O-N 2.93Å; L456-L459 PolarHBondContact O-N 2.95Å; L456-L459 VanDerWaalsContact O-N 3.15Å; L456-M460 WeakPolarHBondContact O-CG 3.48Å; L456-M460 PolarHBondContact O-N 3.22Å; L456-L500 HydrophobicContact CD2-CD2 3.68Å; L456-L503 HydrophobicContact CD2-CD1 4.12Å; L456-F509 HydrophobicContact CD1-CZ 4.38Å; L456-L513 HydrophobicContact CD1-CD1 4.39Å; L456-L513 HydrophobicContact CD1-CD2 3.81Å; L456-L526 HydrophobicContact CD1-CD1 4.04Å; L456-L530 HydrophobicContact CB-CD1 4.23Å; L456-L530 HydrophobicContact CD1-CD1 4.26Å; L456-L530 HydrophobicContact CD2-CD1 4.13Å; L456-L530 HydrophobicContact CG-CD1 4.44Å |
| 457 | L | 92.6 | Very high | 86.6 | Confident | 53 Ų | 53 | 29.6 Ų | 29.6 | 28% | 0.277 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.7 | -35.6 | 175.3 | -70.3 | 169.8 | 0 | 0 | 0 | 112 | E453 M460 E461 L526 | E453-L457 HydrophobicContact CG-CD1 3.78Å; E453-L457 HydrophobicContact CG-CG 4.49Å; E453-L457 WeakPolarHBondContact O-CB 3.11Å; E453-L457 VanDerWaalsContact O-CG 3.23Å; E453-L457 WeakPolarHBondContact O-CG 3.42Å; E453-L457 PolarHBondContact O-N 3.21Å; L457-M460 HydrophobicContact CD2-CE 4.16Å; L457-M460 HydrophobicContact CD2-SD 3.96Å; L457-M460 WeakPolarHBondContact O-CB 3.22Å; L457-M460 PolarHBondContact O-N 2.7Å; L457-E461 PolarHBondContact O-N 2.92Å; L457-L526 HydrophobicContact CD2-CD2 3.87Å; L457-L526 HydrophobicContact CG-CD2 3.93Å |
| 458 | R | 90.5 | Very high | 84.5 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.8 | -38.4 | 175.4 | -173.2 | 63.8 | -168.1 | 172.7 | 9.4 | 112.9 | Y419 L422 M454 Y455 L456 M460 E461 L462 | Y419-R458 HydrophobicContact CD2-CB 4.3Å; Y419-R458 HydrophobicContact CE2-CB 3.75Å; Y419-R458 HydrophobicContact CE2-CG 4.04Å; L422-R458 HydrophobicContact CB-CG 4.12Å; L422-R458 HydrophobicContact CD1-CB 4.06Å; L422-R458 HydrophobicContact CD1-CG 3.76Å; M454-R458 WeakPolarHBondContact O-CB 3.42Å; M454-R458 PolarHBondContact O-N 2.94Å; M454-R458 VanDerWaalsContact O-N 3.08Å; Y455-R458 PolarHBondContact O-N 2.85Å; L456-R458 PolarHBondContact O-N 2.93Å; R458-M460 VanDerWaalsContact C-N 3.3Å; R458-E461 IonicContact CZ-OE1 2.74Å; R458-E461 IonicContact CZ-OE2 2.89Å; R458-E461 IonicContact NH1-OE1 2.74Å; R458-E461 PolarHBondContact NH1-OE1 3.03Å; R458-E461 IonicContact NH1-OE2 3.42Å; R458-E461 PolarHBondContact NH1-OE2 2.86Å; R458-E461 IonicContact NH2-OE1 3.78Å; R458-E461 PolarHBondContact O-N 2.89Å; R458-L462 HydrophobicContact CG-CD1 4.4Å; R458-L462 VanDerWaalsContact O-CG 3.3Å; R458-L462 WeakPolarHBondContact O-CG 3.32Å; R458-L462 PolarHBondContact O-N 3.36Å |
| 459 | L | 92.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 171.8 | -64.5 | -166 | 0 | 0 | 0 | 111.5 | L422 L434 Y455 L456 L462 A463 V496 L500 | L422-L459 HydrophobicContact CD1-CD2 4.01Å; L422-L459 HydrophobicContact CD2-CD2 3.82Å; L434-L459 HydrophobicContact CD2-CD1 4.34Å; L434-L459 HydrophobicContact CD2-CD2 3.58Å; Y455-L459 HydrophobicContact CD1-CD1 4.13Å; Y455-L459 HydrophobicContact CD1-CG 4.39Å; Y455-L459 HydrophobicContact CE1-CD1 3.54Å; Y455-L459 HydrophobicContact CE1-CG 4.14Å; Y455-L459 WeakPolarHBondContact O-CG 3.42Å; Y455-L459 PolarHBondContact O-N 3.16Å; L456-L459 PolarHBondContact O-N 2.95Å; L456-L459 VanDerWaalsContact O-N 3.15Å; L459-L462 HydrophobicContact CD2-CD1 4.4Å; L459-L462 PolarHBondContact O-N 3.41Å; L459-A463 WeakPolarHBondContact O-CB 3.45Å; L459-A463 PolarHBondContact O-N 2.94Å; L459-V496 HydrophobicContact CB-CG1 3.98Å; L459-V496 HydrophobicContact CD2-CG1 4.18Å; L459-V496 WeakPolarHBondContact O-CG1 3.25Å; L459-L500 HydrophobicContact CB-CD1 4.22Å; L459-L500 HydrophobicContact CB-CD2 3.98Å; L459-L500 HydrophobicContact CB-CG 4.18Å; L459-L500 HydrophobicContact CD1-CD2 3.77Å; L459-L500 HydrophobicContact CD1-CG 4.02Å |
| 460 | M | 90.2 | Very high | 79.4 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 173.7 | -66.8 | 160.4 | 64.2 | 0 | 0 | 111.9 | L456 L457 R458 A463 T464 E529 L530 L533 | L456-M460 WeakPolarHBondContact O-CG 3.48Å; L456-M460 PolarHBondContact O-N 3.22Å; L457-M460 HydrophobicContact CD2-CE 4.16Å; L457-M460 HydrophobicContact CD2-SD 3.96Å; L457-M460 WeakPolarHBondContact O-CB 3.22Å; L457-M460 PolarHBondContact O-N 2.7Å; R458-M460 VanDerWaalsContact C-N 3.3Å; M460-A463 PolarHBondContact O-N 3.06Å; M460-T464 WeakPolarHBondContact O-CG2 3.4Å; M460-T464 PolarHBondContact O-N 2.96Å; M460-T464 PolarHBondContact O-OG1 2.89Å; M460-E529 HydrophobicContact CE-CB 3.65Å; M460-L530 HydrophobicContact CE-CG 4.45Å; M460-L530 HydrophobicContact CG-CD1 4.49Å; M460-L530 HydrophobicContact CG-CD2 3.4Å; M460-L530 HydrophobicContact CG-CG 3.81Å; M460-L530 HydrophobicContact SD-CD1 4.05Å; M460-L530 HydrophobicContact SD-CD2 3.96Å; M460-L530 HydrophobicContact SD-CG 3.65Å; M460-L533 HydrophobicContact CB-CD1 3.61Å; M460-L533 HydrophobicContact CG-CD1 3.92Å; M460-L533 WeakPolarHBondContact O-CD1 3.23Å |
| 461 | E | 86.9 | Confident | 77.1 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 29% | 0.285 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.9 | -50.7 | 175.9 | -167.8 | -166.8 | 143.9 | 0 | 0 | 110.8 | L457 R458 A463 T464 L465 | L457-E461 PolarHBondContact O-N 2.92Å; R458-E461 IonicContact CZ-OE1 2.74Å; R458-E461 IonicContact CZ-OE2 2.89Å; R458-E461 IonicContact NH1-OE1 2.74Å; R458-E461 PolarHBondContact NH1-OE1 3.03Å; R458-E461 IonicContact NH1-OE2 3.42Å; R458-E461 PolarHBondContact NH1-OE2 2.86Å; R458-E461 IonicContact NH2-OE1 3.78Å; R458-E461 PolarHBondContact O-N 2.89Å; E461-A463 VanDerWaalsContact C-N 3.34Å; E461-A463 PolarHBondContact O-N 2.89Å; E461-T464 PolarHBondContact O-N 2.81Å; E461-T464 PolarHBondContact O-OG1 3.35Å; E461-L465 HydrophobicContact CG-CD1 4.06Å; E461-L465 HydrophobicContact CG-CG 4.42Å; E461-L465 WeakPolarHBondContact O-CG 3.2Å; E461-L465 PolarHBondContact O-N 3.08Å; E461-L465 VanDerWaalsContact O-N 3.11Å |
| 462 | L | 84.9 | Confident | 74.9 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.183 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 178.9 | -68.2 | 168.7 | 0 | 0 | 0 | 112.8 | L422 R458 L459 T464 L465 V496 | L422-L462 HydrophobicContact CB-CD1 4.2Å; L422-L462 WeakPolarHBondContact O-CD1 3.38Å; R458-L462 HydrophobicContact CG-CD1 4.4Å; R458-L462 VanDerWaalsContact O-CG 3.3Å; R458-L462 WeakPolarHBondContact O-CG 3.32Å; R458-L462 PolarHBondContact O-N 3.36Å; L459-L462 HydrophobicContact CD2-CD1 4.4Å; L459-L462 PolarHBondContact O-N 3.41Å; L462-T464 PolarHBondContact O-N 2.9Å; L462-L465 HydrophobicContact CD2-CD1 4.44Å; L462-V496 HydrophobicContact CB-CG1 4.26Å; L462-V496 HydrophobicContact CB-CG2 4.19Å; L462-V496 HydrophobicContact CD1-CG2 4.3Å |
| 463 | A | 84.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.4 | -11.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L459 M460 E461 R493 V496 L497 L533 N537 | L459-A463 WeakPolarHBondContact O-CB 3.45Å; L459-A463 PolarHBondContact O-N 2.94Å; M460-A463 PolarHBondContact O-N 3.06Å; E461-A463 VanDerWaalsContact C-N 3.34Å; E461-A463 PolarHBondContact O-N 2.89Å; A463-R493 PolarHBondContact O-NE 2.62Å; A463-V496 HydrophobicContact CB-CG1 4.16Å; A463-L497 HydrophobicContact CB-CD2 4.15Å; A463-L497 HydrophobicContact CB-CG 4.48Å; A463-L533 HydrophobicContact CB-CD1 4.45Å; A463-L533 HydrophobicContact CB-CD2 4.14Å; A463-N537 PolarHBondContact O-OD1 3.42Å |
| 464 | T | 79.7 | Confident | 70.5 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -108.3 | -18 | 177.7 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | M460 E461 L462 T466 D467 L533 | M460-T464 WeakPolarHBondContact O-CG2 3.4Å; M460-T464 PolarHBondContact O-N 2.96Å; M460-T464 PolarHBondContact O-OG1 2.89Å; E461-T464 PolarHBondContact O-N 2.81Å; E461-T464 PolarHBondContact O-OG1 3.35Å; L462-T464 PolarHBondContact O-N 2.9Å; T464-T466 PolarHBondContact O-N 2.89Å; T464-D467 PolarHBondContact O-N 2.79Å; T464-L533 HydrophobicContact CG2-CD1 3.72Å; T464-L533 HydrophobicContact CG2-CG 4.3Å |
| 465 | L | 66.6 | Low | 68.3 | Low | 46 Ų | 46 | 61.2 Ų | 61.2 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -3.2 | -174.4 | -86.4 | 166.8 | 0 | 0 | 0 | 115.2 | E461 L462 | E461-L465 HydrophobicContact CG-CD1 4.06Å; E461-L465 HydrophobicContact CG-CG 4.42Å; E461-L465 WeakPolarHBondContact O-CG 3.2Å; E461-L465 PolarHBondContact O-N 3.08Å; E461-L465 VanDerWaalsContact O-N 3.11Å; L462-L465 HydrophobicContact CD2-CD1 4.44Å |
| 466 | T | 56.1 | Low | 65.8 | Low | 33 Ų | 33 | 64.7 Ų | 64.7 | 20% | 0.202 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -23.6 | 176.5 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | T464 R489 R493 | T464-T466 PolarHBondContact O-N 2.89Å; T466-R489 HydrophobicContact CG2-CB 4.38Å; T466-R493 HydrophobicContact CG2-CB 4.05Å; T466-R493 HydrophobicContact CG2-CG 4.28Å; T466-R493 PolarHBondContact OG1-NE 3.23Å; T466-R493 PolarHBondContact OG1-NH1 3.12Å |
| 467 | D | 49.6 | Very low | 63.4 | Low | 108 Ų | 108 | 68.5 Ų | 68.5 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -102.7 | 5 | -160.5 | -58.4 | -7.5 | 0 | 0 | 0 | 113.6 | T464 R493 | T464-D467 PolarHBondContact O-N 2.79Å; D467-R493 IonicContact OD1-CZ 2.67Å; D467-R493 IonicContact OD1-NH1 2.68Å; D467-R493 PolarHBondContact OD1-NH1 3.08Å; D467-R493 IonicContact OD1-NH2 2.7Å; D467-R493 PolarHBondContact OD1-NH2 3.42Å; D467-R493 IonicContact OD2-CZ 2.6Å; D467-R493 IonicContact OD2-NH1 2.67Å; D467-R493 IonicContact OD2-NH2 3.79Å; D467-R493 PolarHBondContact OD2-NH2 2.65Å |
| 468 | V | 47.1 | Very low | 61.2 | Low | 94 Ų | 94 | 67.1 Ų | 67.1 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | trans | -117.4 | 113.1 | -171.1 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 469 | L | 43.9 | Very low | 59.2 | Low | 162 Ų | 162 | 70 Ų | 70 | 85% | 0.848 | 42% | 0.419 | S | S | * | . | trans | -62.1 | 137 | 161.4 | -81.5 | 162.3 | 0 | 0 | 0 | 109.5 | S471 | L469-S471 PolarHBondContact O-N 3.13Š| ||
| 470 | P | 40.1 | Very low | 57.2 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 59% | 0.591 | 45% | 0.454 | S | S | * | . | trans | -65.9 | 110.6 | -168 | 24.9 | -34.1 | 0 | 0 | 0 | 112.5 | L482 | P470-L482 HydrophobicContact CB-CD1 4.15Š| ||
| 471 | S | 44.4 | Very low | 55.2 | Low | 63 Ų | 63 | 80 Ų | 80 | 44% | 0.441 | 46% | 0.461 | S | S | . | . | trans | -74.9 | 138.1 | 165.4 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | L469 N473 V474 | L469-S471 PolarHBondContact O-N 3.13Å; S471-N473 PolarHBondContact O-N 3.01Å; S471-V474 WeakPolarHBondContact O-CG2 3.3Å; S471-V474 PolarHBondContact O-N 3.19Å | ||
| 472 | P | 50.6 | Low | 53.4 | Low | 127 Ų | 127 | 80.8 Ų | 80.8 | 83% | 0.825 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -6.6 | -174.9 | 26.3 | -35.8 | 0 | 0 | 0 | 115 | ||
| 473 | N | 49.4 | Very low | 51.9 | Low | 147 Ų | 147 | 85.2 Ų | 85.2 | 79% | 0.786 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 6.6 | -178.6 | -65 | -12.4 | 0 | 0 | 0 | 114.1 | S471 | S471-N473 PolarHBondContact O-N 3.01Š|
| 474 | V | 47.7 | Very low | 50.6 | Low | 62 Ų | 62 | 86.1 Ų | 86.1 | 38% | 0.376 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -78.2 | 130 | 178.9 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | S471 | S471-V474 WeakPolarHBondContact O-CG2 3.3Å; S471-V474 PolarHBondContact O-N 3.19Å |
| 475 | P | 46.4 | Very low | 49.9 | Very low | 86 Ų | 86 | 87.6 Ų | 87.6 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | trans | -65.7 | 148.3 | -178.2 | 26.5 | -35.1 | 0 | 0 | 0 | 112.9 | S477 S478 | P475-S477 PolarHBondContact O-N 3.38Å; P475-S478 PolarHBondContact O-N 3.22Å; P475-S478 VanDerWaalsContact O-N 3.08Å | ||
| 476 | A | 42.5 | Very low | 50 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 66% | 0.661 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60 | -19.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S478 I479 | A476-S478 VanDerWaalsContact C-N 3.3Å; A476-S478 PolarHBondContact O-N 3.24Å; A476-I479 HydrophobicContact CB-CD1 4.42Å; A476-I479 PolarHBondContact O-N 3.23Å |
| 477 | S | 46.7 | Very low | 50.7 | Low | 81 Ų | 81 | 90.7 Ų | 90.7 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.4 | -37.1 | 173.8 | 45.6 | 0 | 0 | 0 | 0 | 112.9 | P475 | P475-S477 PolarHBondContact O-N 3.38Å |
| 478 | S | 45.2 | Very low | 51.7 | Low | 23 Ų | 23 | 86.6 Ų | 86.6 | 16% | 0.161 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -82.2 | -15.9 | -179.8 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | P475 A476 R480 S481 | P475-S478 PolarHBondContact O-N 3.22Å; P475-S478 VanDerWaalsContact O-N 3.08Å; A476-S478 VanDerWaalsContact C-N 3.3Å; A476-S478 PolarHBondContact O-N 3.24Å; S478-R480 VanDerWaalsContact C-N 3.26Å; S478-R480 PolarHBondContact O-N 2.91Å; S478-S481 PolarHBondContact O-N 3.08Å |
| 479 | I | 47.8 | Very low | 52.8 | Low | 87 Ų | 87 | 85.5 Ų | 85.5 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -25.6 | -175.4 | -65 | -176.8 | 0 | 0 | 0 | 112.3 | A476 S481 L482 | A476-I479 HydrophobicContact CB-CD1 4.42Å; A476-I479 PolarHBondContact O-N 3.23Å; I479-S481 PolarHBondContact O-N 2.82Å; I479-L482 HydrophobicContact CG2-CD1 4.3Å; I479-L482 WeakPolarHBondContact O-CB 3.26Å; I479-L482 PolarHBondContact O-N 3Å |
| 480 | R | 50 | Low | 54.4 | Low | 193 Ų | 193 | 82 Ų | 82 | 73% | 0.728 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.2 | 179.2 | -107.9 | -177.9 | 177.9 | 176.6 | -1.9 | 115 | S478 | S478-R480 VanDerWaalsContact C-N 3.26Å; S478-R480 PolarHBondContact O-N 2.91Å |
| 481 | S | 49.7 | Very low | 56.3 | Low | 36 Ų | 36 | 81.9 Ų | 81.9 | 25% | 0.252 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.5 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 113.5 | S478 I479 T483 V484 | S478-S481 PolarHBondContact O-N 3.08Å; I479-S481 PolarHBondContact O-N 2.82Å; S481-T483 VanDerWaalsContact C-N 3.34Å; S481-T483 PolarHBondContact O-N 2.77Å; S481-V484 PolarHBondContact O-N 2.87Å |
| 482 | L | 49.3 | Very low | 58.2 | Low | 79 Ų | 79 | 80.1 Ų | 80.1 | 41% | 0.414 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15 | -168.4 | -67 | 170.4 | 0 | 0 | 0 | 114.6 | P470 I479 V484 | P470-L482 HydrophobicContact CB-CD1 4.15Å; I479-L482 HydrophobicContact CG2-CD1 4.3Å; I479-L482 WeakPolarHBondContact O-CB 3.26Å; I479-L482 PolarHBondContact O-N 3Å; L482-V484 VanDerWaalsContact C-N 3.31Å |
| 483 | T | 52.4 | Low | 59.8 | Low | 127 Ų | 127 | 75.7 Ų | 75.7 | 78% | 0.779 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.4 | 177 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | S481 | S481-T483 VanDerWaalsContact C-N 3.34Å; S481-T483 PolarHBondContact O-N 2.77Å |
| 484 | V | 58.4 | Low | 61.7 | Low | 20 Ų | 20 | 71.5 Ų | 71.5 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -87.6 | 138 | -177.1 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | T425 S481 L482 A488 R489 L492 | T425-V484 HydrophobicContact CG2-CG2 3.56Å; S481-V484 PolarHBondContact O-N 2.87Å; L482-V484 VanDerWaalsContact C-N 3.31Å; V484-A488 HydrophobicContact CG1-CB 3.51Å; V484-R489 HydrophobicContact CB-CG 3.83Å; V484-R489 HydrophobicContact CG1-CG 3.82Å; V484-R489 PolarHBondContact O-NE 3Å; V484-R489 PolarHBondContact O-NH2 3.32Å; V484-L492 HydrophobicContact CG1-CD1 4.31Å |
| 485 | T | 64.1 | Low | 63.7 | Low | 95 Ų | 95 | 70.2 Ų | 70.2 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | trans | -58.4 | 156.5 | 177.9 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | S487 A488 R489 | T485-S487 VanDerWaalsContact C-N 3.32Å; T485-S487 PolarHBondContact O-N 3.03Å; T485-A488 PolarHBondContact O-N 3.12Å; T485-A488 PolarHBondContact OG1-N 3.25Å; T485-R489 PolarHBondContact O-N 3Å | ||
| 486 | S | 68.1 | Low | 65.8 | Low | 84 Ų | 84 | 66.2 Ų | 66.2 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.8 | -41.4 | 179.5 | 45 | 0 | 0 | 0 | 0 | 112.5 | R489 M490 | S486-R489 PolarHBondContact O-N 3.17Å; S486-M490 WeakPolarHBondContact O-CG 3.32Å; S486-M490 PolarHBondContact O-N 3.02Å; S486-M490 VanDerWaalsContact O-N 3.09Å |
| 487 | S | 70.9 | Confident | 68.2 | Low | 60 Ų | 60 | 62.4 Ų | 62.4 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -57.5 | 175.5 | -163.2 | 0 | 0 | 0 | 0 | 111.5 | T485 R489 M490 E491 | T485-S487 VanDerWaalsContact C-N 3.32Å; T485-S487 PolarHBondContact O-N 3.03Å; S487-R489 PolarHBondContact O-N 3.4Å; S487-M490 WeakPolarHBondContact O-CA 3.35Å; S487-M490 WeakPolarHBondContact O-CB 3.37Å; S487-M490 PolarHBondContact O-N 2.68Å; S487-E491 WeakPolarHBondContact CB-OE1 3.38Å; S487-E491 WeakPolarHBondContact O-CG 3.24Å; S487-E491 PolarHBondContact O-N 3.25Å; S487-E491 PolarHBondContact OG-OE1 3.38Å |
| 488 | A | 70.6 | Confident | 70.4 | Confident | 22 Ų | 22 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -31.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V484 T485 E491 L492 | V484-A488 HydrophobicContact CG1-CB 3.51Å; T485-A488 PolarHBondContact O-N 3.12Å; T485-A488 PolarHBondContact OG1-N 3.25Å; A488-E491 PolarHBondContact N-OE1 3.22Å; A488-E491 PolarHBondContact O-N 3.43Å; A488-L492 WeakPolarHBondContact O-CB 3.44Å; A488-L492 WeakPolarHBondContact O-CD1 3.46Å; A488-L492 WeakPolarHBondContact O-CG 3.2Å; A488-L492 PolarHBondContact O-N 3.48Å |
| 489 | R | 71.4 | Confident | 72.7 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.1 | -32.8 | 171.4 | -80.7 | -171.2 | -78.7 | 137.3 | -4.9 | 113.8 | T466 V484 T485 S486 S487 R493 | T466-R489 HydrophobicContact CG2-CB 4.38Å; V484-R489 HydrophobicContact CB-CG 3.83Å; V484-R489 HydrophobicContact CG1-CG 3.82Å; V484-R489 PolarHBondContact O-NE 3Å; V484-R489 PolarHBondContact O-NH2 3.32Å; T485-R489 PolarHBondContact O-N 3Å; S486-R489 PolarHBondContact O-N 3.17Å; S487-R489 PolarHBondContact O-N 3.4Å; R489-R493 WeakPolarHBondContact O-CB 3.38Å; R489-R493 PolarHBondContact O-N 3.46Å; R489-R493 VanDerWaalsContact O-N 3.16Å |
| 490 | M | 76.9 | Confident | 74.9 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.6 | -44.6 | 172 | -66.9 | -176.5 | -62.1 | 0 | 0 | 111.3 | S486 S487 L492 R493 E494 | S486-M490 WeakPolarHBondContact O-CG 3.32Å; S486-M490 PolarHBondContact O-N 3.02Å; S486-M490 VanDerWaalsContact O-N 3.09Å; S487-M490 WeakPolarHBondContact O-CA 3.35Å; S487-M490 WeakPolarHBondContact O-CB 3.37Å; S487-M490 PolarHBondContact O-N 2.68Å; M490-L492 VanDerWaalsContact C-N 3.34Å; M490-L492 PolarHBondContact O-N 2.94Å; M490-R493 WeakPolarHBondContact O-CB 3.45Å; M490-R493 PolarHBondContact O-N 2.99Å; M490-R493 VanDerWaalsContact O-N 3.11Å; M490-E494 PolarHBondContact O-N 2.73Å |
| 491 | E | 80.8 | Confident | 76.9 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 176.7 | -66 | 155.2 | -131.6 | 0 | 0 | 111.8 | S487 A488 E494 L495 | S487-E491 WeakPolarHBondContact CB-OE1 3.38Å; S487-E491 WeakPolarHBondContact O-CG 3.24Å; S487-E491 PolarHBondContact O-N 3.25Å; S487-E491 PolarHBondContact OG-OE1 3.38Å; A488-E491 PolarHBondContact N-OE1 3.22Å; A488-E491 PolarHBondContact O-N 3.43Å; E491-E494 PolarHBondContact O-N 3.16Å; E491-L495 PolarHBondContact O-N 3.34Å |
| 492 | L | 83.5 | Confident | 79 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 174.9 | -67.7 | 165.7 | 0 | 0 | 0 | 112.1 | V427 L430 V484 A488 M490 V496 | V427-L492 HydrophobicContact CG2-CD2 4.28Å; L430-L492 HydrophobicContact CD2-CD2 3.49Å; L430-L492 VanDerWaalsContact CD2-CD2 3.49Å; V484-L492 HydrophobicContact CG1-CD1 4.31Å; A488-L492 WeakPolarHBondContact O-CB 3.44Å; A488-L492 WeakPolarHBondContact O-CD1 3.46Å; A488-L492 WeakPolarHBondContact O-CG 3.2Å; A488-L492 PolarHBondContact O-N 3.48Å; M490-L492 VanDerWaalsContact C-N 3.34Å; M490-L492 PolarHBondContact O-N 2.94Å; L492-V496 WeakPolarHBondContact O-CG2 3.32Å; L492-V496 PolarHBondContact O-N 2.84Å; L492-V496 VanDerWaalsContact O-N 3.13Å |
| 493 | R | 84.3 | Confident | 81.1 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.4 | -170.2 | -167.9 | -168.7 | 151.7 | 15.3 | 111.2 | A463 T466 D467 R489 M490 V496 L497 N537 | A463-R493 PolarHBondContact O-NE 2.62Å; T466-R493 HydrophobicContact CG2-CB 4.05Å; T466-R493 HydrophobicContact CG2-CG 4.28Å; T466-R493 PolarHBondContact OG1-NE 3.23Å; T466-R493 PolarHBondContact OG1-NH1 3.12Å; D467-R493 IonicContact OD1-CZ 2.67Å; D467-R493 IonicContact OD1-NH1 2.68Å; D467-R493 PolarHBondContact OD1-NH1 3.08Å; D467-R493 IonicContact OD1-NH2 2.7Å; D467-R493 PolarHBondContact OD1-NH2 3.42Å; D467-R493 IonicContact OD2-CZ 2.6Å; D467-R493 IonicContact OD2-NH1 2.67Å; D467-R493 IonicContact OD2-NH2 3.79Å; D467-R493 PolarHBondContact OD2-NH2 2.65Å; R489-R493 WeakPolarHBondContact O-CB 3.38Å; R489-R493 PolarHBondContact O-N 3.46Å; R489-R493 VanDerWaalsContact O-N 3.16Å; M490-R493 WeakPolarHBondContact O-CB 3.45Å; M490-R493 PolarHBondContact O-N 2.99Å; M490-R493 VanDerWaalsContact O-N 3.11Å; R493-V496 PolarHBondContact O-N 2.86Å; R493-L497 HydrophobicContact CG-CD1 4Å; R493-L497 WeakPolarHBondContact O-CB 3.48Å; R493-L497 VanDerWaalsContact O-CG 3.31Å; R493-L497 WeakPolarHBondContact O-CG 3.41Å; R493-L497 PolarHBondContact O-N 3.1Å; R493-N537 VanDerWaalsContact CZ-OD1 3.27Å; R493-N537 PolarHBondContact NE-OD1 2.83Å; R493-N537 PolarHBondContact NH2-OD1 3.48Å |
| 494 | E | 88.2 | Confident | 82.9 | Confident | 59 Ų | 59 | 40.3 Ų | 40.3 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.6 | -40.7 | -179.6 | -70.2 | -173 | 173.3 | 0 | 0 | 111.8 | M490 E491 V496 L497 E498 G546 A547 L550 | M490-E494 PolarHBondContact O-N 2.73Å; E491-E494 PolarHBondContact O-N 3.16Å; E494-V496 PolarHBondContact O-N 2.89Å; E494-L497 PolarHBondContact O-N 3.19Å; E494-E498 WeakPolarHBondContact O-CB 3.49Å; E494-E498 PolarHBondContact O-N 2.91Å; E494-G546 VanDerWaalsContact OE1-CA 3.22Å; E494-G546 WeakPolarHBondContact OE1-CA 3.29Å; E494-G546 PolarHBondContact OE1-N 2.97Å; E494-A547 HydrophobicContact CG-CB 3.84Å; E494-A547 PolarHBondContact OE1-N 3.01Å; E494-L550 HydrophobicContact CB-CD1 4.22Å |
| 495 | L | 90.5 | Very high | 84.4 | Confident | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 171.8 | -100.9 | 158.9 | 0 | 0 | 0 | 113.4 | V427 L434 E491 E498 A499 | V427-L495 HydrophobicContact CG1-CD1 3.67Å; L434-L495 HydrophobicContact CD1-CB 4.23Å; L434-L495 HydrophobicContact CD1-CD2 4.38Å; E491-L495 PolarHBondContact O-N 3.34Å; L495-E498 PolarHBondContact O-N 3.34Å; L495-A499 PolarHBondContact O-N 3.07Å |
| 496 | V | 91.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.8 | -40.7 | 177.9 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | L430 L434 L459 L462 A463 L492 R493 E494 A499 L500 | L430-V496 HydrophobicContact CD2-CG2 4.33Å; L434-V496 HydrophobicContact CD1-CG2 4.33Å; L459-V496 HydrophobicContact CB-CG1 3.98Å; L459-V496 HydrophobicContact CD2-CG1 4.18Å; L459-V496 WeakPolarHBondContact O-CG1 3.25Å; L462-V496 HydrophobicContact CB-CG1 4.26Å; L462-V496 HydrophobicContact CB-CG2 4.19Å; L462-V496 HydrophobicContact CD1-CG2 4.3Å; A463-V496 HydrophobicContact CB-CG1 4.16Å; L492-V496 WeakPolarHBondContact O-CG2 3.32Å; L492-V496 PolarHBondContact O-N 2.84Å; L492-V496 VanDerWaalsContact O-N 3.13Å; R493-V496 PolarHBondContact O-N 2.86Å; E494-V496 PolarHBondContact O-N 2.89Å; V496-A499 PolarHBondContact O-N 3.19Å; V496-L500 HydrophobicContact CG1-CD1 4.45Å; V496-L500 WeakPolarHBondContact O-CG 3.32Å; V496-L500 PolarHBondContact O-N 2.74Å |
| 497 | L | 91.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.4 | -38.6 | 175.4 | -72.2 | 169.5 | 0 | 0 | 0 | 111.9 | A463 R493 E494 A499 L500 V501 L533 L534 A547 L550 | A463-L497 HydrophobicContact CB-CD2 4.15Å; A463-L497 HydrophobicContact CB-CG 4.48Å; R493-L497 HydrophobicContact CG-CD1 4Å; R493-L497 WeakPolarHBondContact O-CB 3.48Å; R493-L497 VanDerWaalsContact O-CG 3.31Å; R493-L497 WeakPolarHBondContact O-CG 3.41Å; R493-L497 PolarHBondContact O-N 3.1Å; E494-L497 PolarHBondContact O-N 3.19Å; L497-A499 PolarHBondContact O-N 3.22Å; L497-L500 PolarHBondContact O-N 2.69Å; L497-V501 WeakPolarHBondContact O-CB 3.4Å; L497-V501 WeakPolarHBondContact O-CG2 3.46Å; L497-V501 PolarHBondContact O-N 2.86Å; L497-L533 HydrophobicContact CD2-CD2 4.43Å; L497-L534 HydrophobicContact CD2-CD2 4.27Å; L497-A547 HydrophobicContact CD1-CB 3.66Å; L497-L550 HydrophobicContact CB-CB 4.23Å; L497-L550 HydrophobicContact CB-CD1 4.22Å |
| 498 | E | 93.7 | Very high | 87 | Confident | 114 Ų | 114 | 36.4 Ų | 36.4 | 53% | 0.533 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.6 | -174.1 | 174.9 | -153.4 | 0 | 0 | 111.6 | E494 L495 L500 V501 A502 L550 | E494-E498 WeakPolarHBondContact O-CB 3.49Å; E494-E498 PolarHBondContact O-N 2.91Å; L495-E498 PolarHBondContact O-N 3.34Å; E498-L500 PolarHBondContact O-N 2.69Å; E498-V501 PolarHBondContact O-N 3.32Å; E498-A502 WeakPolarHBondContact O-CB 3.25Å; E498-A502 PolarHBondContact O-N 3.09Å; E498-L550 HydrophobicContact CB-CD1 4.27Å; E498-L550 HydrophobicContact CB-CD2 4.35Å |
| 499 | A | 93.3 | Very high | 88 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L434 L495 V496 L497 A502 L503 | L434-A499 HydrophobicContact CB-CB 4.09Å; L434-A499 HydrophobicContact CD1-CB 4.14Å; L434-A499 HydrophobicContact CD2-CB 3.92Å; L434-A499 HydrophobicContact CG-CB 4.27Å; L495-A499 PolarHBondContact O-N 3.07Å; V496-A499 PolarHBondContact O-N 3.19Å; L497-A499 PolarHBondContact O-N 3.22Å; A499-A502 PolarHBondContact O-N 3.34Å; A499-L503 PolarHBondContact O-N 3.48Å |
| 500 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -43.8 | 172.6 | -73.1 | 171.8 | 0 | 0 | 0 | 111.7 | L456 L459 V496 L497 E498 A502 L503 W504 L530 | L456-L500 HydrophobicContact CD2-CD2 3.68Å; L459-L500 HydrophobicContact CB-CD1 4.22Å; L459-L500 HydrophobicContact CB-CD2 3.98Å; L459-L500 HydrophobicContact CB-CG 4.18Å; L459-L500 HydrophobicContact CD1-CD2 3.77Å; L459-L500 HydrophobicContact CD1-CG 4.02Å; V496-L500 HydrophobicContact CG1-CD1 4.45Å; V496-L500 WeakPolarHBondContact O-CG 3.32Å; V496-L500 PolarHBondContact O-N 2.74Å; L497-L500 PolarHBondContact O-N 2.69Å; E498-L500 PolarHBondContact O-N 2.69Å; L500-A502 VanDerWaalsContact C-N 3.31Å; L500-A502 PolarHBondContact O-N 2.9Å; L500-L503 PolarHBondContact O-N 3.43Å; L500-W504 PolarHBondContact O-N 2.69Å; L500-L530 HydrophobicContact CD1-CD2 4.09Å; L500-L530 HydrophobicContact CD2-CD2 3.91Å |
| 501 | V | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | L497 E498 W504 R505 L550 A554 | L497-V501 WeakPolarHBondContact O-CB 3.4Å; L497-V501 WeakPolarHBondContact O-CG2 3.46Å; L497-V501 PolarHBondContact O-N 2.86Å; E498-V501 PolarHBondContact O-N 3.32Å; V501-W504 PolarHBondContact O-N 3.42Å; V501-R505 VanDerWaalsContact O-CG 3.3Å; V501-R505 WeakPolarHBondContact O-CG 3.26Å; V501-R505 PolarHBondContact O-N 3.04Å; V501-L550 HydrophobicContact CG2-CB 4.2Å; V501-L550 HydrophobicContact CG2-CD2 4.4Å; V501-L550 WeakPolarHBondContact CG2-O 3.39Å; V501-A554 HydrophobicContact CG2-CB 3.91Å |
| 502 | A | 93.3 | Very high | 90.2 | Very high | 32 Ų | 32 | 24.9 Ų | 24.9 | 26% | 0.264 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F438 E498 A499 L500 R505 | F438-A502 HydrophobicContact CD2-CB 3.88Å; F438-A502 HydrophobicContact CE2-CB 3.89Å; E498-A502 WeakPolarHBondContact O-CB 3.25Å; E498-A502 PolarHBondContact O-N 3.09Å; A499-A502 PolarHBondContact O-N 3.34Å; L500-A502 VanDerWaalsContact C-N 3.31Å; L500-A502 PolarHBondContact O-N 2.9Å; A502-R505 PolarHBondContact O-N 2.81Å |
| 503 | L | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 173 | -70.6 | 172.8 | 0 | 0 | 0 | 112.1 | F438 Y455 L456 A499 L500 R505 V506 F509 | F438-L503 HydrophobicContact CD2-CD2 3.73Å; F438-L503 HydrophobicContact CD2-CG 4.06Å; F438-L503 HydrophobicContact CE2-CD2 4.16Å; Y455-L503 HydrophobicContact CE1-CD1 4.24Å; L456-L503 HydrophobicContact CD2-CD1 4.12Å; A499-L503 PolarHBondContact O-N 3.48Å; L500-L503 PolarHBondContact O-N 3.43Å; L503-R505 PolarHBondContact O-N 3.1Å; L503-V506 WeakPolarHBondContact O-CB 3.49Å; L503-V506 WeakPolarHBondContact O-CG2 3.45Å; L503-V506 PolarHBondContact O-N 3.18Å; L503-F509 HydrophobicContact CB-CD1 4.31Å; L503-F509 HydrophobicContact CB-CE1 3.79Å; L503-F509 HydrophobicContact CB-CZ 4.2Å; L503-F509 HydrophobicContact CD2-CZ 4.49Å; L503-F509 VanDerWaalsContact O-CD1 3.23Å; L503-F509 WeakPolarHBondContact O-CD1 3.45Å |
| 504 | W | 90.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.2 | -26.2 | 175.6 | -111.7 | -114 | 0 | 0 | 0 | 113.8 | L500 V501 F509 V510 L513 F527 L530 L534 A554 T557 | L500-W504 PolarHBondContact O-N 2.69Å; V501-W504 PolarHBondContact O-N 3.42Å; W504-F509 HydrophobicContact CE3-CE1 4.28Å; W504-F509 HydrophobicContact CZ3-CE1 4.17Å; W504-V510 HydrophobicContact CD2-CG2 4.36Å; W504-V510 HydrophobicContact CG-CG2 4.23Å; W504-L513 HydrophobicContact CH2-CD1 3.42Å; W504-L513 VanDerWaalsContact CH2-CD1 3.42Å; W504-L513 HydrophobicContact CZ2-CD1 4.28Å; W504-L513 HydrophobicContact CZ3-CD1 3.65Å; W504-F527 HydrophobicContact CZ2-CD2 4.23Å; W504-L530 HydrophobicContact CH2-CB 3.41Å; W504-L530 VanDerWaalsContact CH2-CB 3.41Å; W504-L530 HydrophobicContact CH2-CD1 3.47Å; W504-L530 VanDerWaalsContact CH2-CD1 3.47Å; W504-L530 HydrophobicContact CH2-CD2 4.4Å; W504-L530 HydrophobicContact CH2-CG 3.9Å; W504-L530 HydrophobicContact CZ2-CB 3.79Å; W504-L530 HydrophobicContact CZ3-CB 4.29Å; W504-L530 HydrophobicContact CZ3-CD1 3.78Å; W504-L530 HydrophobicContact CZ3-CG 4.4Å; W504-L534 HydrophobicContact CD2-CD1 4.46Å; W504-L534 HydrophobicContact CZ2-CD1 4.29Å; W504-A554 HydrophobicContact CG-CB 4.3Å; W504-T557 WeakPolarHBondContact O-CG2 3.46Å |
| 505 | R | 90.7 | Very high | 91.4 | Very high | 119 Ų | 119 | 20 Ų | 20 | 45% | 0.449 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5 | 177.6 | -71.4 | 168.2 | 177.1 | 169.1 | 1.7 | 114 | V501 A502 L503 D553 T557 | V501-R505 VanDerWaalsContact O-CG 3.3Å; V501-R505 WeakPolarHBondContact O-CG 3.26Å; V501-R505 PolarHBondContact O-N 3.04Å; A502-R505 PolarHBondContact O-N 2.81Å; L503-R505 PolarHBondContact O-N 3.1Å; R505-D553 IonicContact NH2-OD2 2.8Å; R505-D553 PolarHBondContact NH2-OD2 3.1Å; R505-D553 VanDerWaalsContact NH2-OD2 3.08Å; R505-T557 HydrophobicContact CB-CG2 4.34Å; R505-T557 HydrophobicContact CG-CG2 3.66Å |
| 506 | V | 88.6 | Confident | 91.6 | Very high | 15 Ų | 15 | 18.6 Ų | 18.6 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -73.8 | 124.6 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | F438 E442 L503 F509 | F438-V506 HydrophobicContact CE2-CG2 3.93Å; F438-V506 HydrophobicContact CZ-CG2 4.24Å; E442-V506 HydrophobicContact CG-CG1 4.12Å; E442-V506 HydrophobicContact CG-CG2 4Å; L503-V506 WeakPolarHBondContact O-CB 3.49Å; L503-V506 WeakPolarHBondContact O-CG2 3.45Å; L503-V506 PolarHBondContact O-N 3.18Å; V506-F509 HydrophobicContact CB-CB 3.88Å; V506-F509 HydrophobicContact CB-CG 4.48Å; V506-F509 HydrophobicContact CG1-CB 4.1Å; V506-F509 WeakPolarHBondContact O-CB 3.42Å; V506-F509 PolarHBondContact O-N 2.92Å |
| 507 | P | 84.1 | Confident | 91.8 | Very high | 37 Ų | 37 | 18.5 Ų | 18.5 | 24% | 0.24 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 142.6 | 176.4 | -26.8 | 36.5 | 0 | 0 | 0 | 113 | F509 R633 D634 | P507-F509 PolarHBondContact O-N 3.36Å; P507-R633 HydrophobicContact CB-CB 4.34Å; P507-R633 HydrophobicContact CG-CB 3.88Å; P507-R633 HydrophobicContact CG-CG 3.81Å; P507-R633 WeakPolarHBondContact CG-O 3.27Å; P507-D634 WeakPolarHBondContact CB-OD1 3.37Å |
| 508 | G | 85.6 | Confident | 91.9 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 6% | 0.062 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -25.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V510 T511 E512 | G508-V510 PolarHBondContact O-N 2.97Å; G508-T511 WeakPolarHBondContact O-CA 3.34Å; G508-T511 VanDerWaalsContact O-CB 3.29Å; G508-T511 WeakPolarHBondContact O-CB 3.4Å; G508-T511 PolarHBondContact O-N 3.12Å; G508-E512 WeakPolarHBondContact O-CG 3.18Å; G508-E512 PolarHBondContact O-N 3.31Å |
| 509 | F | 91.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.7 | -42.9 | -169.3 | -176.8 | -106.1 | 0 | 0 | 0 | 114 | L452 L456 L503 W504 V506 P507 E512 L513 | L452-F509 HydrophobicContact CD1-CZ 4.42Å; L452-F509 HydrophobicContact CD2-CE2 4Å; L452-F509 HydrophobicContact CD2-CZ 4.43Å; L456-F509 HydrophobicContact CD1-CZ 4.38Å; L503-F509 HydrophobicContact CB-CD1 4.31Å; L503-F509 HydrophobicContact CB-CE1 3.79Å; L503-F509 HydrophobicContact CB-CZ 4.2Å; L503-F509 HydrophobicContact CD2-CZ 4.49Å; L503-F509 VanDerWaalsContact O-CD1 3.23Å; L503-F509 WeakPolarHBondContact O-CD1 3.45Å; W504-F509 HydrophobicContact CE3-CE1 4.28Å; W504-F509 HydrophobicContact CZ3-CE1 4.17Å; V506-F509 HydrophobicContact CB-CB 3.88Å; V506-F509 HydrophobicContact CB-CG 4.48Å; V506-F509 HydrophobicContact CG1-CB 4.1Å; V506-F509 WeakPolarHBondContact O-CB 3.42Å; V506-F509 PolarHBondContact O-N 2.92Å; P507-F509 PolarHBondContact O-N 3.36Å; F509-E512 CarbonylContact O-C 3.59Å; F509-E512 PolarHBondContact O-N 3.17Å; F509-L513 HydrophobicContact CD1-CD1 4.14Å; F509-L513 HydrophobicContact CD1-CG 4.26Å; F509-L513 HydrophobicContact CE1-CD1 3.6Å; F509-L513 HydrophobicContact CE1-CD2 4.28Å; F509-L513 HydrophobicContact CE1-CG 3.91Å; F509-L513 HydrophobicContact CE2-CD2 4.32Å; F509-L513 HydrophobicContact CZ-CD1 4.09Å; F509-L513 HydrophobicContact CZ-CD2 3.93Å; F509-L513 HydrophobicContact CZ-CG 4.06Å; F509-L513 WeakPolarHBondContact O-CG 3.29Å; F509-L513 PolarHBondContact O-N 3.23Å |
| 510 | V | 92.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 14.2 Ų | 14.2 | 9% | 0.091 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | W504 G508 E512 L513 Y514 F527 V558 L881 | W504-V510 HydrophobicContact CD2-CG2 4.36Å; W504-V510 HydrophobicContact CG-CG2 4.23Å; G508-V510 PolarHBondContact O-N 2.97Å; V510-E512 VanDerWaalsContact C-N 3.32Å; V510-L513 PolarHBondContact O-N 3.26Å; V510-Y514 PolarHBondContact O-N 2.98Å; V510-Y514 VanDerWaalsContact O-N 3.15Å; V510-F527 HydrophobicContact CG1-CD2 3.63Å; V510-F527 HydrophobicContact CG1-CE2 3.38Å; V510-F527 HydrophobicContact CG1-CZ 4.1Å; V510-V558 HydrophobicContact CG1-CG1 4.28Å; V510-V558 HydrophobicContact CG1-CG2 4.27Å; V510-V558 HydrophobicContact CG2-CG2 4.35Å; V510-L881 HydrophobicContact CG1-CD2 4.21Å |
| 511 | T | 91.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.3 | -37.8 | 174 | -46 | 0 | 0 | 0 | 0 | 111.3 | G508 L515 A872 Y877 L881 | G508-T511 WeakPolarHBondContact O-CA 3.34Å; G508-T511 VanDerWaalsContact O-CB 3.29Å; G508-T511 WeakPolarHBondContact O-CB 3.4Å; G508-T511 PolarHBondContact O-N 3.12Å; T511-L515 WeakPolarHBondContact O-CB 3.47Å; T511-L515 PolarHBondContact O-N 2.68Å; T511-A872 HydrophobicContact CG2-CB 4.4Å; T511-Y877 HydrophobicContact CG2-CD2 3.73Å; T511-Y877 HydrophobicContact CG2-CE2 4.47Å; T511-L881 HydrophobicContact CG2-CD1 4.35Å |
| 512 | E | 92.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 2% | 0.023 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.2 | -33.4 | 176.7 | -67.2 | 169.6 | -163.7 | 0 | 0 | 113.1 | R445 G508 F509 V510 Y514 L515 N516 F869 H871 | R445-E512 IonicContact CZ-OE2 2.67Å; R445-E512 IonicContact NE-OE2 3.9Å; R445-E512 PolarHBondContact NE-OE2 3.06Å; R445-E512 VanDerWaalsContact NH2-CD 3.27Å; R445-E512 IonicContact NH2-OE1 3.61Å; R445-E512 PolarHBondContact NH2-OE1 3.01Å; R445-E512 IonicContact NH2-OE2 2.91Å; R445-E512 PolarHBondContact NH2-OE2 2.96Å; G508-E512 WeakPolarHBondContact O-CG 3.18Å; G508-E512 PolarHBondContact O-N 3.31Å; F509-E512 CarbonylContact O-C 3.59Å; F509-E512 PolarHBondContact O-N 3.17Å; V510-E512 VanDerWaalsContact C-N 3.32Å; E512-Y514 VanDerWaalsContact C-N 3.33Å; E512-L515 PolarHBondContact O-N 3.46Å; E512-N516 VanDerWaalsContact O-CB 3.26Å; E512-N516 WeakPolarHBondContact O-CB 3.42Å; E512-N516 PolarHBondContact O-N 3.38Å; E512-N516 PolarHBondContact O-ND2 2.94Å; E512-F869 HydrophobicContact CB-CE1 4.33Å; E512-F869 HydrophobicContact CB-CZ 3.95Å; E512-F869 HydrophobicContact CG-CE1 4.43Å; E512-F869 WeakPolarHBondContact OE2-CE1 3.44Å; E512-F869 WeakPolarHBondContact OE2-CZ 3.26Å; E512-H871 VanDerWaalsContact CD-ND1 3.29Å; E512-H871 IonicContact OE1-CE1 3.62Å; E512-H871 IonicContact OE1-CG 2.62Å; E512-H871 IonicContact OE1-ND1 3.82Å; E512-H871 PolarHBondContact OE1-ND1 3.39Å; E512-H871 IonicContact OE2-CE1 3.24Å; E512-H871 IonicContact OE2-ND1 3.26Å; E512-H871 PolarHBondContact OE2-ND1 3.09Å |
| 513 | L | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 171.6 | -75 | -172.6 | 0 | 0 | 0 | 110.8 | L456 W504 F509 V510 Y517 D518 L526 F527 | L456-L513 HydrophobicContact CD1-CD1 4.39Å; L456-L513 HydrophobicContact CD1-CD2 3.81Å; W504-L513 HydrophobicContact CH2-CD1 3.42Å; W504-L513 VanDerWaalsContact CH2-CD1 3.42Å; W504-L513 HydrophobicContact CZ2-CD1 4.28Å; W504-L513 HydrophobicContact CZ3-CD1 3.65Å; F509-L513 HydrophobicContact CD1-CD1 4.14Å; F509-L513 HydrophobicContact CD1-CG 4.26Å; F509-L513 HydrophobicContact CE1-CD1 3.6Å; F509-L513 HydrophobicContact CE1-CD2 4.28Å; F509-L513 HydrophobicContact CE1-CG 3.91Å; F509-L513 HydrophobicContact CE2-CD2 4.32Å; F509-L513 HydrophobicContact CZ-CD1 4.09Å; F509-L513 HydrophobicContact CZ-CD2 3.93Å; F509-L513 HydrophobicContact CZ-CG 4.06Å; F509-L513 WeakPolarHBondContact O-CG 3.29Å; F509-L513 PolarHBondContact O-N 3.23Å; V510-L513 PolarHBondContact O-N 3.26Å; L513-Y517 HydrophobicContact CD2-CD2 3.93Å; L513-Y517 HydrophobicContact CD2-CE2 3.76Å; L513-Y517 WeakPolarHBondContact O-CD2 3.23Å; L513-Y517 PolarHBondContact O-N 3.42Å; L513-D518 PolarHBondContact O-N 3.31Å; L513-L526 HydrophobicContact CD2-CD1 4.47Å; L513-F527 HydrophobicContact CB-CB 4.16Å |
| 514 | Y | 93.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 2% | 0.024 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -62.2 | -50.2 | 174.8 | 174.4 | -100.1 | 0 | 0 | 0 | 111.6 | V510 E512 N516 D518 C519 F527 L648 K652 Y877 D880 L881 L884 | V510-Y514 PolarHBondContact O-N 2.98Å; V510-Y514 VanDerWaalsContact O-N 3.15Å; E512-Y514 VanDerWaalsContact C-N 3.33Å; Y514-N516 PolarHBondContact O-N 3.18Å; Y514-D518 HydrophobicContact CD2-CB 3.89Å; Y514-D518 HydrophobicContact CE2-CB 4.5Å; Y514-D518 HydrophobicContact CG-CB 4.49Å; Y514-D518 WeakPolarHBondContact O-CB 3.47Å; Y514-D518 PolarHBondContact O-N 3.36Å; Y514-C519 PolarHBondContact O-N 3.44Å; Y514-F527 HydrophobicContact CD2-CD1 4.21Å; Y514-L648 HydrophobicContact CD1-CD1 4.42Å; Y514-L648 HydrophobicContact CE1-CD1 3.75Å; Y514-K652 HydrophobicContact CE2-CD 4.4Å; Y514-Y877 HydrophobicContact CD1-CD2 4.32Å; Y514-Y877 HydrophobicContact CD1-CG 4.45Å; Y514-Y877 HydrophobicContact CE1-CD2 4.49Å; Y514-Y877 HydrophobicContact CE1-CG 4.26Å; Y514-D880 HydrophobicContact CE1-CB 4.17Å; Y514-D880 HydrophobicContact CE2-CB 4.39Å; Y514-D880 WeakPolarHBondContact OH-CB 3.48Å; Y514-L881 HydrophobicContact CD1-CD2 4.4Å; Y514-L881 HydrophobicContact CD2-CD2 4.28Å; Y514-L881 HydrophobicContact CG-CD2 3.86Å; Y514-L884 HydrophobicContact CD2-CD1 3.94Å; Y514-L884 HydrophobicContact CE2-CD1 3.73Å |
| 515 | L | 93 | Very high | 91 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -64.1 | -42.9 | -178.1 | 178.8 | 59.7 | 0 | 0 | 0 | 113.7 | T511 E512 P643 L648 L870 A872 Y877 | T511-L515 WeakPolarHBondContact O-CB 3.47Å; T511-L515 PolarHBondContact O-N 2.68Å; E512-L515 PolarHBondContact O-N 3.46Å; L515-P643 HydrophobicContact CD1-CG 4.08Å; L515-L648 HydrophobicContact CD1-CD1 4.12Å; L515-L648 HydrophobicContact CD1-CD2 3.82Å; L515-L870 HydrophobicContact CD1-CD1 4.35Å; L515-L870 HydrophobicContact CD2-CB 3.65Å; L515-L870 HydrophobicContact CD2-CD1 4.11Å; L515-L870 HydrophobicContact CG-CB 4.28Å; L515-L870 HydrophobicContact CG-CD1 4.25Å; L515-A872 HydrophobicContact CD2-CB 3.87Å; L515-Y877 HydrophobicContact CD1-CE2 4.33Å; L515-Y877 HydrophobicContact CD2-CE2 4.44Å |
| 516 | N | 93.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 3% | 0.027 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -94.1 | -13 | -169.3 | -67.3 | -78 | 0 | 0 | 0 | 114.9 | K449 E512 Y514 D520 F869 L870 | K449-N516 WeakPolarHBondContact CE-O 3.41Å; E512-N516 VanDerWaalsContact O-CB 3.26Å; E512-N516 WeakPolarHBondContact O-CB 3.42Å; E512-N516 PolarHBondContact O-N 3.38Å; E512-N516 PolarHBondContact O-ND2 2.94Å; Y514-N516 PolarHBondContact O-N 3.18Å; N516-D520 WeakPolarHBondContact O-CB 3.44Å; N516-F869 HydrophobicContact CB-CD2 4.12Å; N516-F869 HydrophobicContact CB-CE2 4.12Å; N516-F869 WeakPolarHBondContact OD1-CA 3.36Å; N516-L870 PolarHBondContact ND2-O 3.45Å; N516-L870 PolarHBondContact OD1-N 3.47Å |
| 517 | Y | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -130.8 | -56.4 | -177.3 | -50.7 | -91.7 | 0 | 0 | 0 | 111.6 | K449 E453 L513 C519 D520 C523 S524 L526 K655 F869 | K449-Y517 WeakPolarHBondContact CA-OH 3.19Å; K449-Y517 HydrophobicContact CG-CE1 3.7Å; K449-Y517 WeakPolarHBondContact O-CE1 3.14Å; K449-Y517 PolarHBondContact O-OH 2.75Å; E453-Y517 HydrophobicContact CB-CD1 4.3Å; E453-Y517 HydrophobicContact CB-CE1 3.93Å; L513-Y517 HydrophobicContact CD2-CD2 3.93Å; L513-Y517 HydrophobicContact CD2-CE2 3.76Å; L513-Y517 WeakPolarHBondContact O-CD2 3.23Å; L513-Y517 PolarHBondContact O-N 3.42Å; Y517-C519 VanDerWaalsContact C-N 3.29Å; Y517-C519 PolarHBondContact O-N 3.34Å; Y517-D520 PolarHBondContact O-N 2.82Å; Y517-D520 VanDerWaalsContact O-N 3.1Å; Y517-C523 HydrophobicContact CD1-CB 4Å; Y517-S524 CarbonylContact C-O 3.55Å; Y517-S524 VanDerWaalsContact C-O 3.25Å; Y517-S524 WeakPolarHBondContact CB-O 3.48Å; Y517-S524 VanDerWaalsContact O-O 3.13Å; Y517-L526 HydrophobicContact CD1-CD1 3.53Å; Y517-L526 HydrophobicContact CD1-CG 4.29Å; Y517-L526 HydrophobicContact CD2-CD1 3.94Å; Y517-L526 HydrophobicContact CE1-CD1 3.91Å; Y517-L526 HydrophobicContact CE2-CD1 4.27Å; Y517-L526 HydrophobicContact CG-CD1 3.55Å; Y517-L526 HydrophobicContact CG-CG 4.09Å; Y517-K655 PolarHBondContact O-NZ 2.67Å; Y517-F869 HydrophobicContact CE2-CE2 4.12Å |
| 518 | D | 94 | Very high | 92 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -59.3 | -37.5 | 177.7 | -83.5 | 50 | 0 | 0 | 0 | 113.3 | L513 Y514 S525 L526 F527 E528 K652 K655 | L513-D518 PolarHBondContact O-N 3.31Å; Y514-D518 HydrophobicContact CD2-CB 3.89Å; Y514-D518 HydrophobicContact CE2-CB 4.5Å; Y514-D518 HydrophobicContact CG-CB 4.49Å; Y514-D518 WeakPolarHBondContact O-CB 3.47Å; Y514-D518 PolarHBondContact O-N 3.36Å; D518-S525 VanDerWaalsContact OD1-CA 3.28Å; D518-S525 WeakPolarHBondContact OD1-CA 3.39Å; D518-L526 PolarHBondContact OD1-N 2.93Å; D518-L526 VanDerWaalsContact OD1-N 3.13Å; D518-F527 WeakPolarHBondContact OD1-CB 3.23Å; D518-F527 PolarHBondContact OD1-N 3.47Å; D518-E528 WeakPolarHBondContact OD2-CB 3.32Å; D518-E528 PolarHBondContact OD2-N 2.92Å; D518-K652 IonicContact OD2-NZ 2.86Å; D518-K652 PolarHBondContact OD2-NZ 2.81Å; D518-K655 WeakPolarHBondContact O-CD 3.48Å; D518-K655 PolarHBondContact O-NZ 3.37Å |
| 519 | C | 92 | Very high | 92.4 | Very high | 5 Ų | 5 | 17 Ų | 17 | 3% | 0.034 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.1 | 176.1 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | Y514 Y517 L648 | Y514-C519 PolarHBondContact O-N 3.44Å; Y517-C519 VanDerWaalsContact C-N 3.29Å; Y517-C519 PolarHBondContact O-N 3.34Å; C519-L648 HydrophobicContact CB-CD2 3.99Å |
| 520 | D | 91 | Very high | 92.5 | Very high | 32 Ų | 32 | 16.9 Ų | 16.9 | 17% | 0.171 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -84 | 134.1 | 172.9 | -179.7 | -62.7 | 0 | 0 | 0 | 110.3 | K449 N516 Y517 Y522 C523 K655 | K449-D520 IonicContact NZ-OD2 3.46Å; K449-D520 PolarHBondContact NZ-OD2 3.35Å; N516-D520 WeakPolarHBondContact O-CB 3.44Å; Y517-D520 PolarHBondContact O-N 2.82Å; Y517-D520 VanDerWaalsContact O-N 3.1Å; D520-Y522 VanDerWaalsContact C-N 3.29Å; D520-Y522 PolarHBondContact O-N 3.06Å; D520-Y522 PolarHBondContact OD1-N 3.28Å; D520-C523 HydrophobicContact CB-CB 4.01Å; D520-C523 PolarHBondContact OD1-N 3.16Å; D520-C523 PolarHBondContact OD1-SG 2.87Å; D520-K655 WeakPolarHBondContact O-CD 3.47Å; D520-K655 WeakPolarHBondContact O-CE 3.46Å; D520-K655 PolarHBondContact O-NZ 3.16Å; D520-K655 VanDerWaalsContact O-NZ 3.12Å |
| 521 | L | 88.2 | Confident | 92.6 | Very high | 31 Ų | 31 | 16.3 Ų | 16.3 | 16% | 0.162 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -65.3 | -27.4 | -171.9 | -65.6 | -178.4 | 0 | 0 | 0 | 114.4 | L651 K654 K655 L658 | L521-L651 HydrophobicContact CD2-CD2 4.28Å; L521-L651 HydrophobicContact CG-CD2 4.4Å; L521-K654 HydrophobicContact CD1-CD 4.13Å; L521-K654 HydrophobicContact CD1-CG 4.5Å; L521-K654 HydrophobicContact CD2-CB 4.05Å; L521-K654 HydrophobicContact CD2-CD 4.15Å; L521-K654 HydrophobicContact CD2-CG 3.8Å; L521-K655 HydrophobicContact CD2-CB 4.07Å; L521-L658 HydrophobicContact CB-CD2 3.9Å; L521-L658 HydrophobicContact CD1-CD2 4.43Å; L521-L658 HydrophobicContact CD2-CD2 4.4Å; L521-L658 HydrophobicContact CG-CD2 4.48Å |
| 522 | Y | 86.1 | Confident | 92.7 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 14% | 0.137 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -115.7 | -24.8 | -170.2 | -62.3 | -59.8 | 0 | 0 | 0 | 113.6 | D520 L658 N698 | D520-Y522 VanDerWaalsContact C-N 3.29Å; D520-Y522 PolarHBondContact O-N 3.06Å; D520-Y522 PolarHBondContact OD1-N 3.28Å; Y522-L658 HydrophobicContact CD1-CD2 4.45Å; Y522-L658 HydrophobicContact CE1-CD2 3.85Å; Y522-N698 HydrophobicContact CE1-CB 3.78Å |
| 523 | C | 90.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -66.9 | 161.9 | 173.3 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | E453 Y517 D520 K655 R700 | E453-C523 WeakPolarHBondContact OE1-CA 3.29Å; E453-C523 WeakPolarHBondContact OE1-CB 3.47Å; Y517-C523 HydrophobicContact CD1-CB 4Å; D520-C523 HydrophobicContact CB-CB 4.01Å; D520-C523 PolarHBondContact OD1-N 3.16Å; D520-C523 PolarHBondContact OD1-SG 2.87Å; C523-K655 WeakPolarHBondContact O-CE 3.39Å; C523-K655 PolarHBondContact O-NZ 2.8Å; C523-R700 PolarHBondContact O-NH2 2.98Å |
| 524 | S | 90.8 | Very high | 92.5 | Very high | 26 Ų | 26 | 22.9 Ų | 22.9 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | trans | -61.2 | 164.6 | 166.9 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | E453 Y517 L526 K655 | E453-S524 PolarHBondContact OE1-N 3.45Å; Y517-S524 CarbonylContact C-O 3.55Å; Y517-S524 VanDerWaalsContact C-O 3.25Å; Y517-S524 WeakPolarHBondContact CB-O 3.48Å; Y517-S524 VanDerWaalsContact O-O 3.13Å; S524-L526 VanDerWaalsContact C-N 3.33Å; S524-L526 PolarHBondContact O-N 2.91Å; S524-K655 PolarHBondContact O-NZ 2.98Å | ||
| 525 | S | 92.9 | Very high | 92.4 | Very high | 21 Ų | 21 | 23.1 Ų | 23.1 | 15% | 0.147 | 12% | 0.115 | C | C | . | . | trans | -96.8 | 66.6 | 175.1 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | D518 F527 E528 E529 K655 | D518-S525 VanDerWaalsContact OD1-CA 3.28Å; D518-S525 WeakPolarHBondContact OD1-CA 3.39Å; S525-F527 VanDerWaalsContact C-N 3.3Å; S525-F527 PolarHBondContact O-N 3.46Å; S525-E528 PolarHBondContact O-N 3.26Å; S525-E529 PolarHBondContact N-OE1 2.87Å; S525-E529 WeakPolarHBondContact O-CB 3.45Å; S525-E529 VanDerWaalsContact O-CG 3.27Å; S525-E529 WeakPolarHBondContact O-CG 3.44Å; S525-E529 PolarHBondContact O-N 2.77Å; S525-K655 PolarHBondContact OG-NZ 3.42Å; S525-K655 VanDerWaalsContact OG-NZ 3.08Å | ||
| 526 | L | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.2 | -38.9 | -167.8 | -63.6 | -178.9 | 0 | 0 | 0 | 113.5 | E453 L456 L457 L513 Y517 D518 S524 L530 | E453-L526 HydrophobicContact CB-CD1 4.15Å; E453-L526 HydrophobicContact CG-CD1 4.23Å; E453-L526 HydrophobicContact CG-CD2 4.39Å; L456-L526 HydrophobicContact CD1-CD1 4.04Å; L457-L526 HydrophobicContact CD2-CD2 3.87Å; L457-L526 HydrophobicContact CG-CD2 3.93Å; L513-L526 HydrophobicContact CD2-CD1 4.47Å; Y517-L526 HydrophobicContact CD1-CD1 3.53Å; Y517-L526 HydrophobicContact CD1-CG 4.29Å; Y517-L526 HydrophobicContact CD2-CD1 3.94Å; Y517-L526 HydrophobicContact CE1-CD1 3.91Å; Y517-L526 HydrophobicContact CE2-CD1 4.27Å; Y517-L526 HydrophobicContact CG-CD1 3.55Å; Y517-L526 HydrophobicContact CG-CG 4.09Å; D518-L526 PolarHBondContact OD1-N 2.93Å; D518-L526 VanDerWaalsContact OD1-N 3.13Å; S524-L526 VanDerWaalsContact C-N 3.33Å; S524-L526 PolarHBondContact O-N 2.91Å; L526-L530 HydrophobicContact CB-CD1 4.5Å; L526-L530 WeakPolarHBondContact O-CB 3.23Å; L526-L530 WeakPolarHBondContact O-CD1 3.36Å; L526-L530 WeakPolarHBondContact O-CG 3.48Å; L526-L530 PolarHBondContact O-N 3.1Å |
| 527 | F | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.6 | -46.2 | 180 | 169.1 | -117.4 | 0 | 0 | 0 | 111.7 | W504 V510 L513 Y514 D518 S525 T531 L881 L884 V885 | W504-F527 HydrophobicContact CZ2-CD2 4.23Å; V510-F527 HydrophobicContact CG1-CD2 3.63Å; V510-F527 HydrophobicContact CG1-CE2 3.38Å; V510-F527 HydrophobicContact CG1-CZ 4.1Å; L513-F527 HydrophobicContact CB-CB 4.16Å; Y514-F527 HydrophobicContact CD2-CD1 4.21Å; D518-F527 WeakPolarHBondContact OD1-CB 3.23Å; D518-F527 PolarHBondContact OD1-N 3.47Å; S525-F527 VanDerWaalsContact C-N 3.3Å; S525-F527 PolarHBondContact O-N 3.46Å; F527-T531 WeakPolarHBondContact CE2-OG1 3.35Å; F527-T531 WeakPolarHBondContact O-CB 3.26Å; F527-T531 PolarHBondContact O-N 2.85Å; F527-T531 PolarHBondContact O-OG1 3.18Å; F527-L881 HydrophobicContact CD1-CD2 3.84Å; F527-L881 HydrophobicContact CE1-CB 4.44Å; F527-L881 HydrophobicContact CE1-CD2 3.47Å; F527-L881 VanDerWaalsContact CE1-CD2 3.47Å; F527-L881 HydrophobicContact CE2-CD2 4.45Å; F527-L881 HydrophobicContact CG-CD2 4.46Å; F527-L881 HydrophobicContact CZ-CB 4.41Å; F527-L881 HydrophobicContact CZ-CD2 3.81Å; F527-L884 HydrophobicContact CD1-CD1 4.03Å; F527-L884 HydrophobicContact CE1-CB 3.85Å; F527-L884 HydrophobicContact CE1-CD1 3.88Å; F527-V885 HydrophobicContact CZ-CB 4.24Å |
| 528 | E | 94 | Very high | 91.5 | Very high | 87 Ų | 87 | 29.7 Ų | 29.7 | 41% | 0.407 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.5 | -41 | 177.8 | -164.8 | 177.9 | 133.3 | 0 | 0 | 111.6 | D518 S525 K532 K652 L884 | D518-E528 WeakPolarHBondContact OD2-CB 3.32Å; D518-E528 PolarHBondContact OD2-N 2.92Å; S525-E528 PolarHBondContact O-N 3.26Å; E528-K532 VanDerWaalsContact O-CB 3.25Å; E528-K532 WeakPolarHBondContact O-CB 3.33Å; E528-K532 PolarHBondContact O-N 3.43Å; E528-K652 IonicContact OE2-NZ 2.69Å; E528-K652 PolarHBondContact OE2-NZ 2.99Å; E528-L884 HydrophobicContact CG-CD2 4.36Å |
| 529 | E | 93.6 | Very high | 91.1 | Very high | 71 Ų | 71 | 32.9 Ų | 32.9 | 33% | 0.332 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -70.5 | -43.2 | 179.1 | -68.3 | 174.3 | -130 | 0 | 0 | 112.8 | M460 S525 K532 L533 | M460-E529 HydrophobicContact CE-CB 3.65Å; S525-E529 PolarHBondContact N-OE1 2.87Å; S525-E529 WeakPolarHBondContact O-CB 3.45Å; S525-E529 VanDerWaalsContact O-CG 3.27Å; S525-E529 WeakPolarHBondContact O-CG 3.44Å; S525-E529 PolarHBondContact O-N 2.77Å; E529-K532 PolarHBondContact O-N 2.93Å; E529-L533 WeakPolarHBondContact O-CB 3.44Å; E529-L533 PolarHBondContact O-N 3.47Å |
| 530 | L | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | 174.1 | -82.4 | 151.6 | 0 | 0 | 0 | 111.8 | L456 M460 L500 W504 L526 K532 L533 L534 | L456-L530 HydrophobicContact CB-CD1 4.23Å; L456-L530 HydrophobicContact CD1-CD1 4.26Å; L456-L530 HydrophobicContact CD2-CD1 4.13Å; L456-L530 HydrophobicContact CG-CD1 4.44Å; M460-L530 HydrophobicContact CE-CG 4.45Å; M460-L530 HydrophobicContact CG-CD1 4.49Å; M460-L530 HydrophobicContact CG-CD2 3.4Å; M460-L530 HydrophobicContact CG-CG 3.81Å; M460-L530 HydrophobicContact SD-CD1 4.05Å; M460-L530 HydrophobicContact SD-CD2 3.96Å; M460-L530 HydrophobicContact SD-CG 3.65Å; L500-L530 HydrophobicContact CD1-CD2 4.09Å; L500-L530 HydrophobicContact CD2-CD2 3.91Å; W504-L530 HydrophobicContact CH2-CB 3.41Å; W504-L530 VanDerWaalsContact CH2-CB 3.41Å; W504-L530 HydrophobicContact CH2-CD1 3.47Å; W504-L530 VanDerWaalsContact CH2-CD1 3.47Å; W504-L530 HydrophobicContact CH2-CD2 4.4Å; W504-L530 HydrophobicContact CH2-CG 3.9Å; W504-L530 HydrophobicContact CZ2-CB 3.79Å; W504-L530 HydrophobicContact CZ3-CB 4.29Å; W504-L530 HydrophobicContact CZ3-CD1 3.78Å; W504-L530 HydrophobicContact CZ3-CG 4.4Å; L526-L530 HydrophobicContact CB-CD1 4.5Å; L526-L530 WeakPolarHBondContact O-CB 3.23Å; L526-L530 WeakPolarHBondContact O-CD1 3.36Å; L526-L530 WeakPolarHBondContact O-CG 3.48Å; L526-L530 PolarHBondContact O-N 3.1Å; L530-K532 VanDerWaalsContact C-N 3.28Å; L530-K532 PolarHBondContact O-N 3.26Å; L530-L533 PolarHBondContact O-N 2.82Å; L530-L533 VanDerWaalsContact O-N 3.13Å; L530-L534 WeakPolarHBondContact O-CB 3.47Å; L530-L534 VanDerWaalsContact O-CG 3.23Å; L530-L534 WeakPolarHBondContact O-CG 3.43Å; L530-L534 PolarHBondContact O-N 3.5Å |
| 531 | T | 94.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -43.3 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | F527 L534 S535 L555 V885 P888 | F527-T531 WeakPolarHBondContact CE2-OG1 3.35Å; F527-T531 WeakPolarHBondContact O-CB 3.26Å; F527-T531 PolarHBondContact O-N 2.85Å; F527-T531 PolarHBondContact O-OG1 3.18Å; T531-L534 PolarHBondContact O-N 3.09Å; T531-S535 VanDerWaalsContact O-CB 3.28Å; T531-S535 WeakPolarHBondContact O-CB 3.41Å; T531-S535 PolarHBondContact O-N 2.9Å; T531-L555 HydrophobicContact CG2-CD2 4.09Å; T531-V885 HydrophobicContact CG2-CB 4.38Å; T531-V885 HydrophobicContact CG2-CG2 3.86Å; T531-P888 HydrophobicContact CG2-CB 3.93Å; T531-P888 HydrophobicContact CG2-CG 4.03Å |
| 532 | K | 92.5 | Very high | 88.2 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 59% | 0.587 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.8 | -34.6 | 176.4 | -170.9 | 175 | -171.4 | 170.9 | 0 | 112.7 | E528 E529 L530 K536 | E528-K532 VanDerWaalsContact O-CB 3.25Å; E528-K532 WeakPolarHBondContact O-CB 3.33Å; E528-K532 PolarHBondContact O-N 3.43Å; E529-K532 PolarHBondContact O-N 2.93Å; L530-K532 VanDerWaalsContact C-N 3.28Å; L530-K532 PolarHBondContact O-N 3.26Å; K532-K536 WeakPolarHBondContact O-CG 3.3Å; K532-K536 PolarHBondContact O-N 3.1Å |
| 533 | L | 91.3 | Very high | 87.5 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.2 | -48.1 | 173.9 | -179.8 | 149.8 | 0 | 0 | 0 | 111.9 | M460 A463 T464 L497 E529 L530 K536 N537 | M460-L533 HydrophobicContact CB-CD1 3.61Å; M460-L533 HydrophobicContact CG-CD1 3.92Å; M460-L533 WeakPolarHBondContact O-CD1 3.23Å; A463-L533 HydrophobicContact CB-CD1 4.45Å; A463-L533 HydrophobicContact CB-CD2 4.14Å; T464-L533 HydrophobicContact CG2-CD1 3.72Å; T464-L533 HydrophobicContact CG2-CG 4.3Å; L497-L533 HydrophobicContact CD2-CD2 4.43Å; E529-L533 WeakPolarHBondContact O-CB 3.44Å; E529-L533 PolarHBondContact O-N 3.47Å; L530-L533 PolarHBondContact O-N 2.82Å; L530-L533 VanDerWaalsContact O-N 3.13Å; L533-K536 WeakPolarHBondContact O-CB 3.31Å; L533-K536 PolarHBondContact O-N 3.07Å; L533-N537 WeakPolarHBondContact CD2-ND2 3.36Å; L533-N537 PolarHBondContact O-N 3.24Å; L533-N537 PolarHBondContact O-ND2 2.92Å |
| 534 | L | 92.3 | Very high | 87 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 179.7 | -69 | 164.4 | 0 | 0 | 0 | 110.6 | L497 W504 L530 T531 K536 N537 A538 S551 A554 L555 | L497-L534 HydrophobicContact CD2-CD2 4.27Å; W504-L534 HydrophobicContact CD2-CD1 4.46Å; W504-L534 HydrophobicContact CZ2-CD1 4.29Å; L530-L534 WeakPolarHBondContact O-CB 3.47Å; L530-L534 VanDerWaalsContact O-CG 3.23Å; L530-L534 WeakPolarHBondContact O-CG 3.43Å; L530-L534 PolarHBondContact O-N 3.5Å; T531-L534 PolarHBondContact O-N 3.09Å; L534-K536 PolarHBondContact O-N 2.65Å; L534-N537 PolarHBondContact O-N 3.39Å; L534-A538 PolarHBondContact O-N 3.03Å; L534-S551 WeakPolarHBondContact O-CB 3.19Å; L534-A554 HydrophobicContact CD1-CB 3.6Å; L534-A554 HydrophobicContact CD2-CB 3.73Å; L534-A554 HydrophobicContact CG-CB 4.2Å; L534-L555 HydrophobicContact CB-CD2 4.1Å; L534-L555 HydrophobicContact CB-CG 4.16Å |
| 535 | S | 91 | Very high | 86.6 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.1 | -53 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | T531 N537 A538 F539 P888 | T531-S535 VanDerWaalsContact O-CB 3.28Å; T531-S535 WeakPolarHBondContact O-CB 3.41Å; T531-S535 PolarHBondContact O-N 2.9Å; S535-N537 VanDerWaalsContact C-N 3.34Å; S535-N537 PolarHBondContact O-N 3Å; S535-A538 WeakPolarHBondContact O-CB 3.43Å; S535-A538 PolarHBondContact O-N 2.87Å; S535-F539 WeakPolarHBondContact O-CD2 3.42Å; S535-F539 WeakPolarHBondContact O-CE2 3.46Å; S535-P888 PolarHBondContact OG-O 3.19Å |
| 536 | K | 88.8 | Confident | 86.2 | Confident | 147 Ų | 147 | 47 Ų | 47 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -55.6 | -43.2 | 175.5 | -79.4 | 179.5 | 172.4 | -168.4 | 0 | 113.8 | K532 L533 L534 A538 F539 | K532-K536 WeakPolarHBondContact O-CG 3.3Å; K532-K536 PolarHBondContact O-N 3.1Å; L533-K536 WeakPolarHBondContact O-CB 3.31Å; L533-K536 PolarHBondContact O-N 3.07Å; L534-K536 PolarHBondContact O-N 2.65Å; K536-A538 PolarHBondContact O-N 3.44Å; K536-F539 PolarHBondContact O-N 3.37Å |
| 537 | N | 87.2 | Confident | 85.8 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71 | -13.1 | 179.6 | -79.3 | -101.7 | 0 | 0 | 0 | 112.8 | A463 R493 L533 L534 S535 H548 S551 | A463-N537 PolarHBondContact O-OD1 3.42Å; R493-N537 VanDerWaalsContact CZ-OD1 3.27Å; R493-N537 PolarHBondContact NE-OD1 2.83Å; R493-N537 PolarHBondContact NH2-OD1 3.48Å; L533-N537 WeakPolarHBondContact CD2-ND2 3.36Å; L533-N537 PolarHBondContact O-N 3.24Å; L533-N537 PolarHBondContact O-ND2 2.92Å; L534-N537 PolarHBondContact O-N 3.39Å; S535-N537 VanDerWaalsContact C-N 3.34Å; S535-N537 PolarHBondContact O-N 3Å; N537-H548 WeakPolarHBondContact O-CA 3.43Å; N537-H548 PolarHBondContact O-CD2 3.35Å; N537-S551 WeakPolarHBondContact CB-OG 3.28Å |
| 538 | A | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | L534 S535 K536 P540 L552 A892 V896 | L534-A538 PolarHBondContact O-N 3.03Å; S535-A538 WeakPolarHBondContact O-CB 3.43Å; S535-A538 PolarHBondContact O-N 2.87Å; K536-A538 PolarHBondContact O-N 3.44Å; A538-P540 WeakPolarHBondContact O-CD 3.42Å; A538-L552 HydrophobicContact CB-CB 4.46Å; A538-A892 HydrophobicContact CB-CB 3.77Å; A538-V896 WeakPolarHBondContact O-CG2 3.38Å |
| 539 | F | 85.3 | Confident | 85.2 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | trans | -96.5 | 93.7 | 178 | -68 | -95.2 | 0 | 0 | 0 | 112.4 | S535 K536 V541 A891 F895 | S535-F539 WeakPolarHBondContact O-CD2 3.42Å; S535-F539 WeakPolarHBondContact O-CE2 3.46Å; K536-F539 PolarHBondContact O-N 3.37Å; F539-V541 PolarHBondContact O-N 2.91Å; F539-A891 HydrophobicContact CZ-CB 3.97Å; F539-F895 HydrophobicContact CB-CD1 4.06Å; F539-F895 HydrophobicContact CB-CE1 4.01Å; F539-F895 HydrophobicContact CD1-CB 3.6Å; F539-F895 AromaticContact CD1-CD1 3.59Å; F539-F895 HydrophobicContact CD1-CD1 3.59Å; F539-F895 AromaticContact CD1-CD2 3.65Å; F539-F895 HydrophobicContact CD1-CD2 3.65Å; F539-F895 HydrophobicContact CD1-CE1 4.1Å; F539-F895 HydrophobicContact CD1-CE2 4.15Å; F539-F895 AromaticContact CD1-CG 3.33Å; F539-F895 HydrophobicContact CD1-CG 3.33Å; F539-F895 HydrophobicContact CD1-CZ 4.35Å; F539-F895 HydrophobicContact CE1-CB 3.61Å; F539-F895 HydrophobicContact CE1-CD1 4.47Å; F539-F895 HydrophobicContact CE1-CD2 4.08Å; F539-F895 AromaticContact CE1-CG 3.82Å; F539-F895 HydrophobicContact CE1-CG 3.82Å; F539-F895 HydrophobicContact CG-CD1 4.19Å; F539-F895 HydrophobicContact CG-CG 4.33Å | ||
| 540 | P | 73 | Confident | 85.1 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.032 | 25% | 0.25 | C | S | . | . | trans | -63.6 | 116.1 | 176.4 | 24.9 | -37 | 0 | 0 | 0 | 114.3 | A538 G543 L544 H548 F895 K899 | A538-P540 WeakPolarHBondContact O-CD 3.42Å; P540-G543 WeakPolarHBondContact CB-O 3.42Å; P540-L544 HydrophobicContact CB-CD1 4.29Å; P540-L544 HydrophobicContact CG-CD1 3.89Å; P540-H548 WeakPolarHBondContact CA-NE2 3.47Å; P540-F895 HydrophobicContact CG-CD1 4.27Å; P540-F895 HydrophobicContact CG-CE1 3.99Å; P540-F895 WeakPolarHBondContact O-CE1 3.29Å; P540-K899 HydrophobicContact CG-CB 3.94Å; P540-K899 HydrophobicContact CG-CG 4.29Å | ||
| 541 | V | 70.3 | Confident | 85 | Confident | 136 Ų | 136 | 44.4 Ų | 44.4 | 82% | 0.824 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -81 | -39.3 | 171.8 | -174 | 0 | 0 | 0 | 0 | 111.4 | F539 | F539-V541 PolarHBondContact O-N 2.91Š|
| 542 | T | 66.9 | Low | 84.9 | Confident | 131 Ų | 131 | 44.7 Ų | 44.7 | 80% | 0.804 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -134.9 | 69 | -175.6 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 543 | G | 71.6 | Confident | 84.9 | Confident | 50 Ų | 50 | 39 Ų | 39 | 52% | 0.515 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 77.5 | 166.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | P540 T545 | P540-G543 WeakPolarHBondContact CB-O 3.42Å; G543-T545 PolarHBondContact O-N 2.83Å |
| 544 | L | 79.9 | Confident | 85 | Confident | 47 Ų | 47 | 38.4 Ų | 38.4 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | trans | -92.9 | 92.4 | -172.8 | -166.6 | 74.2 | 0 | 0 | 0 | 111.5 | P540 H548 I549 V896 I906 | P540-L544 HydrophobicContact CB-CD1 4.29Å; P540-L544 HydrophobicContact CG-CD1 3.89Å; L544-H548 HydrophobicContact CD1-CB 3.67Å; L544-I549 HydrophobicContact CD1-CG1 4.5Å; L544-I549 HydrophobicContact CD2-CD1 4.08Å; L544-I549 HydrophobicContact CD2-CG1 3.98Å; L544-I549 HydrophobicContact CG-CD1 4.3Å; L544-I549 HydrophobicContact CG-CG1 4.04Å; L544-V896 HydrophobicContact CD1-CG1 3.95Å; L544-V896 HydrophobicContact CD2-CG1 4.39Å; L544-I906 HydrophobicContact CD2-CD1 3.61Å; L544-I906 HydrophobicContact CD2-CG2 4.42Å | ||
| 545 | T | 83.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 30% | 0.301 | 23% | 0.225 | S | C | . | . | trans | -78 | 167 | 168.2 | 73.6 | 0 | 0 | 0 | 0 | 112.2 | G543 A547 H548 | G543-T545 PolarHBondContact O-N 2.83Å; T545-A547 VanDerWaalsContact C-N 3.26Å; T545-A547 PolarHBondContact O-N 3.47Å; T545-H548 PolarHBondContact N-ND1 2.79Å; T545-H548 PolarHBondContact O-N 2.71Å; T545-H548 PolarHBondContact O-ND1 3.32Å; T545-H548 VanDerWaalsContact O-ND1 3.15Å; T545-H548 PolarHBondContact OG1-CE1 3Å; T545-H548 PolarHBondContact OG1-ND1 3.08Å | ||
| 546 | G | 84.3 | Confident | 85.3 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.3 | -34.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E494 H548 I549 L550 | E494-G546 VanDerWaalsContact OE1-CA 3.22Å; E494-G546 WeakPolarHBondContact OE1-CA 3.29Å; E494-G546 PolarHBondContact OE1-N 2.97Å; G546-H548 VanDerWaalsContact C-N 3.27Å; G546-H548 PolarHBondContact O-N 3.1Å; G546-I549 PolarHBondContact O-N 3.18Å; G546-L550 WeakPolarHBondContact O-CG 3.44Å; G546-L550 PolarHBondContact O-N 3.27Å |
| 547 | A | 86.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.5 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E494 L497 T545 S551 | E494-A547 HydrophobicContact CG-CB 3.84Å; E494-A547 PolarHBondContact OE1-N 3.01Å; L497-A547 HydrophobicContact CD1-CB 3.66Å; T545-A547 VanDerWaalsContact C-N 3.26Å; T545-A547 PolarHBondContact O-N 3.47Å; A547-S551 WeakPolarHBondContact O-CB 3.48Å; A547-S551 PolarHBondContact O-N 2.99Å; A547-S551 PolarHBondContact O-OG 3.32Å |
| 548 | H | 88.2 | Confident | 85.7 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.3 | -38.6 | 178.7 | -45.7 | 93.7 | 0 | 0 | 0 | 111.7 | N537 P540 L544 T545 G546 S551 L552 | N537-H548 WeakPolarHBondContact O-CA 3.43Å; N537-H548 PolarHBondContact O-CD2 3.35Å; P540-H548 WeakPolarHBondContact CA-NE2 3.47Å; L544-H548 HydrophobicContact CD1-CB 3.67Å; T545-H548 PolarHBondContact N-ND1 2.79Å; T545-H548 PolarHBondContact O-N 2.71Å; T545-H548 PolarHBondContact O-ND1 3.32Å; T545-H548 VanDerWaalsContact O-ND1 3.15Å; T545-H548 PolarHBondContact OG1-CE1 3Å; T545-H548 PolarHBondContact OG1-ND1 3.08Å; G546-H548 VanDerWaalsContact C-N 3.27Å; G546-H548 PolarHBondContact O-N 3.1Å; H548-S551 PolarHBondContact O-N 2.89Å; H548-L552 WeakPolarHBondContact O-CB 3.25Å; H548-L552 PolarHBondContact O-N 2.89Å |
| 549 | I | 88.3 | Confident | 86.1 | Confident | 49 Ų | 49 | 32.5 Ų | 32.5 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.4 | -46.5 | 178.9 | -57 | 172.3 | 0 | 0 | 0 | 109.7 | L544 G546 S551 L552 D553 I906 | L544-I549 HydrophobicContact CD1-CG1 4.5Å; L544-I549 HydrophobicContact CD2-CD1 4.08Å; L544-I549 HydrophobicContact CD2-CG1 3.98Å; L544-I549 HydrophobicContact CG-CD1 4.3Å; L544-I549 HydrophobicContact CG-CG1 4.04Å; G546-I549 PolarHBondContact O-N 3.18Å; I549-S551 VanDerWaalsContact C-N 3.29Å; I549-S551 PolarHBondContact O-N 3.07Å; I549-L552 PolarHBondContact O-N 2.98Å; I549-D553 VanDerWaalsContact O-CB 3.3Å; I549-D553 WeakPolarHBondContact O-CB 3.01Å; I549-D553 PolarHBondContact O-N 3.36Å; I549-D553 VanDerWaalsContact O-OD1 3.13Å; I549-I906 HydrophobicContact CD1-CD1 3.65Å; I549-I906 HydrophobicContact CG1-CD1 4.23Å |
| 550 | L | 91.6 | Very high | 86.5 | Confident | 33 Ų | 33 | 32.3 Ų | 32.3 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -42.6 | 173.3 | -72.8 | 170.3 | 0 | 0 | 0 | 111.7 | E494 L497 E498 V501 G546 D553 A554 | E494-L550 HydrophobicContact CB-CD1 4.22Å; L497-L550 HydrophobicContact CB-CB 4.23Å; L497-L550 HydrophobicContact CB-CD1 4.22Å; E498-L550 HydrophobicContact CB-CD1 4.27Å; E498-L550 HydrophobicContact CB-CD2 4.35Å; V501-L550 HydrophobicContact CG2-CB 4.2Å; V501-L550 HydrophobicContact CG2-CD2 4.4Å; V501-L550 WeakPolarHBondContact CG2-O 3.39Å; G546-L550 WeakPolarHBondContact O-CG 3.44Å; G546-L550 PolarHBondContact O-N 3.27Å; L550-D553 WeakPolarHBondContact O-CB 3.44Å; L550-D553 PolarHBondContact O-N 2.88Å; L550-A554 PolarHBondContact O-N 2.57Å |
| 551 | S | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.6 | -38.8 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | L534 N537 A547 H548 I549 A554 L555 | L534-S551 WeakPolarHBondContact O-CB 3.19Å; N537-S551 WeakPolarHBondContact CB-OG 3.28Å; A547-S551 WeakPolarHBondContact O-CB 3.48Å; A547-S551 PolarHBondContact O-N 2.99Å; A547-S551 PolarHBondContact O-OG 3.32Å; H548-S551 PolarHBondContact O-N 2.89Å; I549-S551 VanDerWaalsContact C-N 3.29Å; I549-S551 PolarHBondContact O-N 3.07Å; S551-A554 PolarHBondContact O-N 2.78Å; S551-L555 WeakPolarHBondContact O-CG 3.32Å; S551-L555 PolarHBondContact O-N 2.83Å |
| 552 | L | 92.2 | Very high | 88.5 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 171.3 | -173.9 | 65 | 0 | 0 | 0 | 111.7 | A538 H548 I549 A554 L555 L556 A892 L893 V896 I910 | A538-L552 HydrophobicContact CB-CB 4.46Å; H548-L552 WeakPolarHBondContact O-CB 3.25Å; H548-L552 PolarHBondContact O-N 2.89Å; I549-L552 PolarHBondContact O-N 2.98Å; L552-A554 VanDerWaalsContact C-N 3.34Å; L552-A554 PolarHBondContact O-N 2.94Å; L552-L555 PolarHBondContact O-N 2.78Å; L552-L556 HydrophobicContact CG-CD1 4.07Å; L552-L556 HydrophobicContact CG-CG 4.43Å; L552-L556 WeakPolarHBondContact O-CB 3.26Å; L552-L556 WeakPolarHBondContact O-CG 3.42Å; L552-L556 PolarHBondContact O-N 2.98Å; L552-A892 HydrophobicContact CD1-CB 4.16Å; L552-L893 HydrophobicContact CD1-CD2 3.84Å; L552-L893 HydrophobicContact CD1-CG 4.11Å; L552-L893 HydrophobicContact CD2-CD2 4.45Å; L552-V896 HydrophobicContact CD2-CB 4.44Å; L552-V896 HydrophobicContact CD2-CG1 4.32Å; L552-V896 HydrophobicContact CD2-CG2 4.41Å; L552-I910 HydrophobicContact CD2-CG1 4.08Å |
| 553 | D | 91.9 | Very high | 89.9 | Confident | 16 Ų | 16 | 23.7 Ų | 23.7 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.2 | -90.1 | 36.9 | 0 | 0 | 0 | 112.8 | R505 I549 L550 T557 R909 | R505-D553 IonicContact NH2-OD2 2.8Å; R505-D553 PolarHBondContact NH2-OD2 3.1Å; R505-D553 VanDerWaalsContact NH2-OD2 3.08Å; I549-D553 VanDerWaalsContact O-CB 3.3Å; I549-D553 WeakPolarHBondContact O-CB 3.01Å; I549-D553 PolarHBondContact O-N 3.36Å; I549-D553 VanDerWaalsContact O-OD1 3.13Å; L550-D553 WeakPolarHBondContact O-CB 3.44Å; L550-D553 PolarHBondContact O-N 2.88Å; D553-T557 WeakPolarHBondContact O-CB 3.45Å; D553-T557 PolarHBondContact O-N 3.05Å; D553-T557 PolarHBondContact O-OG1 2.63Å; D553-R909 IonicContact OD1-CZ 3.65Å; D553-R909 IonicContact OD1-NH1 3.84Å; D553-R909 PolarHBondContact OD1-NH1 2.91Å; D553-R909 IonicContact OD1-NH2 3.92Å; D553-R909 PolarHBondContact OD1-NH2 3Å; D553-R909 IonicContact OD2-CZ 3.13Å; D553-R909 IonicContact OD2-NH1 2.73Å; D553-R909 PolarHBondContact OD2-NH1 3.33Å; D553-R909 IonicContact OD2-NH2 2.69Å; D553-R909 PolarHBondContact OD2-NH2 3.28Å |
| 554 | A | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -47.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V501 W504 L534 L550 S551 L552 T557 V558 | V501-A554 HydrophobicContact CG2-CB 3.91Å; W504-A554 HydrophobicContact CG-CB 4.3Å; L534-A554 HydrophobicContact CD1-CB 3.6Å; L534-A554 HydrophobicContact CD2-CB 3.73Å; L534-A554 HydrophobicContact CG-CB 4.2Å; L550-A554 PolarHBondContact O-N 2.57Å; S551-A554 PolarHBondContact O-N 2.78Å; L552-A554 VanDerWaalsContact C-N 3.34Å; L552-A554 PolarHBondContact O-N 2.94Å; A554-T557 WeakPolarHBondContact O-CB 3.49Å; A554-T557 PolarHBondContact O-N 3.22Å; A554-V558 PolarHBondContact O-N 2.59Å |
| 555 | L | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 177.2 | -64.4 | 170.4 | 0 | 0 | 0 | 111.1 | T531 L534 S551 L552 T557 V558 I559 V885 T889 A892 | T531-L555 HydrophobicContact CG2-CD2 4.09Å; L534-L555 HydrophobicContact CB-CD2 4.1Å; L534-L555 HydrophobicContact CB-CG 4.16Å; S551-L555 WeakPolarHBondContact O-CG 3.32Å; S551-L555 PolarHBondContact O-N 2.83Å; L552-L555 PolarHBondContact O-N 2.78Å; L555-T557 VanDerWaalsContact C-N 3.26Å; L555-T557 PolarHBondContact O-N 3.48Å; L555-V558 WeakPolarHBondContact O-CB 3.41Å; L555-V558 PolarHBondContact O-N 3.32Å; L555-V558 VanDerWaalsContact O-N 3.09Å; L555-I559 PolarHBondContact O-N 3.14Å; L555-V885 HydrophobicContact CD2-CG2 4.12Å; L555-T889 HydrophobicContact CB-CG2 4.04Å; L555-A892 HydrophobicContact CD1-CB 4Å |
| 556 | L | 94.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 7% | 0.068 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.4 | -28.6 | 176 | -73.2 | 177.9 | 0 | 0 | 0 | 113.1 | L552 V558 I559 D560 L893 | L552-L556 HydrophobicContact CG-CD1 4.07Å; L552-L556 HydrophobicContact CG-CG 4.43Å; L552-L556 WeakPolarHBondContact O-CB 3.26Å; L552-L556 WeakPolarHBondContact O-CG 3.42Å; L552-L556 PolarHBondContact O-N 2.98Å; L556-V558 VanDerWaalsContact C-N 3.27Å; L556-V558 PolarHBondContact O-N 2.72Å; L556-I559 PolarHBondContact O-N 2.91Å; L556-D560 VanDerWaalsContact O-CB 3.24Å; L556-D560 WeakPolarHBondContact O-CB 3.48Å; L556-D560 PolarHBondContact O-N 3.45Å; L556-L893 HydrophobicContact CD1-CD2 4.46Å; L556-L893 HydrophobicContact CD2-CD1 4.48Å; L556-L893 HydrophobicContact CD2-CD2 4.13Å |
| 557 | T | 92.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 24.8 Ų | 24.8 | 14% | 0.135 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | 173.8 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | W504 R505 D553 A554 L555 T561 | W504-T557 WeakPolarHBondContact O-CG2 3.46Å; R505-T557 HydrophobicContact CB-CG2 4.34Å; R505-T557 HydrophobicContact CG-CG2 3.66Å; D553-T557 WeakPolarHBondContact O-CB 3.45Å; D553-T557 PolarHBondContact O-N 3.05Å; D553-T557 PolarHBondContact O-OG1 2.63Å; A554-T557 WeakPolarHBondContact O-CB 3.49Å; A554-T557 PolarHBondContact O-N 3.22Å; L555-T557 VanDerWaalsContact C-N 3.26Å; L555-T557 PolarHBondContact O-N 3.48Å; T557-T561 WeakPolarHBondContact O-CB 3.43Å; T557-T561 PolarHBondContact O-N 3.27Å; T557-T561 PolarHBondContact O-OG1 3.19Å |
| 558 | V | 92.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70 | -47.9 | 174.3 | -171 | 0 | 0 | 0 | 0 | 110.5 | V510 A554 L555 L556 D560 T561 I562 V885 | V510-V558 HydrophobicContact CG1-CG1 4.28Å; V510-V558 HydrophobicContact CG1-CG2 4.27Å; V510-V558 HydrophobicContact CG2-CG2 4.35Å; A554-V558 PolarHBondContact O-N 2.59Å; L555-V558 WeakPolarHBondContact O-CB 3.41Å; L555-V558 PolarHBondContact O-N 3.32Å; L555-V558 VanDerWaalsContact O-N 3.09Å; L556-V558 VanDerWaalsContact C-N 3.27Å; L556-V558 PolarHBondContact O-N 2.72Å; V558-D560 PolarHBondContact O-N 3.1Å; V558-T561 PolarHBondContact O-N 2.95Å; V558-I562 HydrophobicContact CG1-CD1 3.79Å; V558-I562 WeakPolarHBondContact O-CG1 3.47Å; V558-I562 PolarHBondContact O-N 3.47Å; V558-V885 HydrophobicContact CB-CG2 4.26Å; V558-V885 HydrophobicContact CG1-CB 4.48Å; V558-V885 HydrophobicContact CG1-CG1 4.07Å; V558-V885 HydrophobicContact CG1-CG2 4.31Å; V558-V885 HydrophobicContact CG2-CG2 4.43Å |
| 559 | I | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 176.6 | -59.5 | -60.4 | 0 | 0 | 0 | 111.2 | L555 L556 T561 I562 E563 F882 V885 T889 K916 I920 | L555-I559 PolarHBondContact O-N 3.14Å; L556-I559 PolarHBondContact O-N 2.91Å; I559-T561 VanDerWaalsContact C-N 3.27Å; I559-T561 PolarHBondContact O-N 2.89Å; I559-I562 PolarHBondContact O-N 2.98Å; I559-E563 VanDerWaalsContact O-CB 3.31Å; I559-E563 WeakPolarHBondContact O-CB 3.36Å; I559-E563 PolarHBondContact O-N 3.46Å; I559-F882 HydrophobicContact CD1-CD2 4.04Å; I559-F882 HydrophobicContact CD1-CE2 3.84Å; I559-V885 HydrophobicContact CD1-CG1 3.97Å; I559-T889 HydrophobicContact CD1-CG2 4.44Å; I559-T889 HydrophobicContact CG1-CG2 4.01Å; I559-K916 HydrophobicContact CG2-CB 3.61Å; I559-I920 HydrophobicContact CD1-CD1 4.45Å; I559-I920 HydrophobicContact CG2-CD1 3.92Å |
| 560 | D | 93.9 | Very high | 91.1 | Very high | 63 Ų | 63 | 33.9 Ų | 33.9 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.2 | -33.7 | 179.1 | -84.9 | 24.5 | 0 | 0 | 0 | 112.9 | L556 V558 M564 K916 | L556-D560 VanDerWaalsContact O-CB 3.24Å; L556-D560 WeakPolarHBondContact O-CB 3.48Å; L556-D560 PolarHBondContact O-N 3.45Å; V558-D560 PolarHBondContact O-N 3.1Å; D560-M564 WeakPolarHBondContact O-CB 3.43Å; D560-M564 PolarHBondContact O-N 2.99Å; D560-K916 WeakPolarHBondContact OD1-CD 3.38Å; D560-K916 WeakPolarHBondContact OD1-CE 3.23Å; D560-K916 IonicContact OD1-NZ 2.81Å; D560-K916 PolarHBondContact OD1-NZ 2.76Å; D560-K916 IonicContact OD2-NZ 2.72Å; D560-K916 PolarHBondContact OD2-NZ 3.26Å |
| 561 | T | 91.5 | Very high | 90.5 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 28% | 0.276 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -73.5 | -47.8 | 177.3 | -58 | 0 | 0 | 0 | 0 | 110.7 | T557 V558 I559 M564 N565 | T557-T561 WeakPolarHBondContact O-CB 3.43Å; T557-T561 PolarHBondContact O-N 3.27Å; T557-T561 PolarHBondContact O-OG1 3.19Å; V558-T561 PolarHBondContact O-N 2.95Å; I559-T561 VanDerWaalsContact C-N 3.27Å; I559-T561 PolarHBondContact O-N 2.89Å; T561-M564 PolarHBondContact O-N 3.5Å; T561-N565 WeakPolarHBondContact O-CB 3.32Å; T561-N565 PolarHBondContact O-N 3.1Å; T561-N565 PolarHBondContact O-ND2 3.16Å |
| 562 | I | 94.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | -179.6 | -64.3 | 169.9 | 0 | 0 | 0 | 111.2 | V558 I559 N565 C566 D878 L881 F882 I920 Y924 | V558-I562 HydrophobicContact CG1-CD1 3.79Å; V558-I562 WeakPolarHBondContact O-CG1 3.47Å; V558-I562 PolarHBondContact O-N 3.47Å; I559-I562 PolarHBondContact O-N 2.98Å; I562-N565 PolarHBondContact O-N 3.12Å; I562-C566 WeakPolarHBondContact O-CB 3.25Å; I562-C566 PolarHBondContact O-N 3.03Å; I562-C566 PolarHBondContact O-SG 3.49Å; I562-D878 HydrophobicContact CG1-CB 4.18Å; I562-D878 HydrophobicContact CG2-CB 3.99Å; I562-L881 HydrophobicContact CD1-CB 4Å; I562-F882 HydrophobicContact CD1-CB 4.13Å; I562-I920 HydrophobicContact CB-CD1 3.97Å; I562-I920 HydrophobicContact CG2-CD1 3.83Å; I562-I920 HydrophobicContact CG2-CG1 3.98Å; I562-I920 HydrophobicContact CG2-CG2 3.74Å; I562-Y924 HydrophobicContact CG2-CE2 4.35Å |
| 563 | E | 94.8 | Very high | 87.9 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 20% | 0.201 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 176.9 | -176.3 | -95.1 | 131.8 | 0 | 0 | 111.2 | I559 N565 C566 H567 K916 A919 I920 | I559-E563 VanDerWaalsContact O-CB 3.31Å; I559-E563 WeakPolarHBondContact O-CB 3.36Å; I559-E563 PolarHBondContact O-N 3.46Å; E563-N565 VanDerWaalsContact C-N 3.33Å; E563-N565 PolarHBondContact O-N 3.13Å; E563-C566 WeakPolarHBondContact O-CB 3.23Å; E563-C566 PolarHBondContact O-N 3.39Å; E563-H567 WeakPolarHBondContact O-CB 3.48Å; E563-H567 PolarHBondContact O-N 3.06Å; E563-K916 HydrophobicContact CB-CB 4.14Å; E563-K916 HydrophobicContact CB-CD 4.39Å; E563-K916 HydrophobicContact CB-CG 4.36Å; E563-K916 HydrophobicContact CG-CB 3.96Å; E563-K916 HydrophobicContact CG-CD 4.31Å; E563-K916 HydrophobicContact CG-CG 3.9Å; E563-K916 WeakPolarHBondContact OE2-CD 3.44Å; E563-K916 WeakPolarHBondContact OE2-CE 3.43Å; E563-K916 IonicContact OE2-NZ 2.71Å; E563-A919 HydrophobicContact CG-CB 4.5Å; E563-I920 HydrophobicContact CB-CD1 4.04Å; E563-I920 HydrophobicContact CB-CG1 3.93Å |
| 564 | M | 91.8 | Very high | 86 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 35% | 0.345 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 176.8 | -178.2 | 163.1 | 45.9 | 0 | 0 | 112.3 | D560 T561 H567 M568 | D560-M564 WeakPolarHBondContact O-CB 3.43Å; D560-M564 PolarHBondContact O-N 2.99Å; T561-M564 PolarHBondContact O-N 3.5Å; M564-H567 PolarHBondContact O-N 3.46Å; M564-M568 HydrophobicContact CG-CE 4.24Å; M564-M568 HydrophobicContact CG-CG 4.49Å; M564-M568 VanDerWaalsContact O-CG 3.23Å; M564-M568 WeakPolarHBondContact O-CG 3.28Å; M564-M568 PolarHBondContact O-N 3.01Å |
| 565 | N | 89.7 | Confident | 83.9 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174 | -72.3 | -15 | 0 | 0 | 0 | 112 | T561 I562 E563 H567 M568 R569 S874 G875 D878 | T561-N565 WeakPolarHBondContact O-CB 3.32Å; T561-N565 PolarHBondContact O-N 3.1Å; T561-N565 PolarHBondContact O-ND2 3.16Å; I562-N565 PolarHBondContact O-N 3.12Å; E563-N565 VanDerWaalsContact C-N 3.33Å; E563-N565 PolarHBondContact O-N 3.13Å; N565-H567 VanDerWaalsContact C-N 3.35Å; N565-M568 PolarHBondContact O-N 3.03Å; N565-R569 VanDerWaalsContact O-CG 3.31Å; N565-R569 WeakPolarHBondContact O-CG 3.38Å; N565-R569 PolarHBondContact O-N 3.33Å; N565-S874 PolarHBondContact ND2-OG 3.32Å; N565-G875 WeakPolarHBondContact ND2-CA 3.45Å; N565-G875 PolarHBondContact ND2-N 2.99Å; N565-D878 WeakPolarHBondContact CB-OD2 3.41Å; N565-D878 PolarHBondContact ND2-OD2 3.2Å |
| 566 | C | 90.5 | Very high | 80.9 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 173 | -66 | 0 | 0 | 0 | 0 | 111.4 | I562 E563 R569 M570 H923 | I562-C566 WeakPolarHBondContact O-CB 3.25Å; I562-C566 PolarHBondContact O-N 3.03Å; I562-C566 PolarHBondContact O-SG 3.49Å; E563-C566 WeakPolarHBondContact O-CB 3.23Å; E563-C566 PolarHBondContact O-N 3.39Å; C566-R569 WeakPolarHBondContact O-CB 3.47Å; C566-R569 PolarHBondContact O-N 3.12Å; C566-M570 WeakPolarHBondContact O-CG 3.48Å; C566-M570 PolarHBondContact O-N 2.92Å; C566-H923 HydrophobicContact CB-CB 4.15Å |
| 567 | H | 87.9 | Confident | 77.9 | Confident | 91 Ų | 91 | 72.4 Ų | 72.4 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 176.8 | -162.5 | 98.3 | 0 | 0 | 0 | 112.4 | E563 M564 N565 R569 M570 I571 | E563-H567 WeakPolarHBondContact O-CB 3.48Å; E563-H567 PolarHBondContact O-N 3.06Å; M564-H567 PolarHBondContact O-N 3.46Å; N565-H567 VanDerWaalsContact C-N 3.35Å; H567-R569 VanDerWaalsContact C-N 3.31Å; H567-R569 PolarHBondContact O-N 3.26Å; H567-M570 PolarHBondContact O-N 3.17Å; H567-I571 PolarHBondContact O-N 3.39Å |
| 568 | M | 84.8 | Confident | 74.8 | Confident | 90 Ų | 90 | 79.6 Ų | 79.6 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 176.9 | -67.3 | -67.9 | 157.5 | 0 | 0 | 112.3 | M564 N565 I571 S572 | M564-M568 HydrophobicContact CG-CE 4.24Å; M564-M568 HydrophobicContact CG-CG 4.49Å; M564-M568 VanDerWaalsContact O-CG 3.23Å; M564-M568 WeakPolarHBondContact O-CG 3.28Å; M564-M568 PolarHBondContact O-N 3.01Å; N565-M568 PolarHBondContact O-N 3.03Å; M568-I571 PolarHBondContact O-N 2.96Å; M568-S572 WeakPolarHBondContact O-CB 3.3Å; M568-S572 PolarHBondContact O-N 3.33Å |
| 569 | R | 84.1 | Confident | 71.8 | Confident | 81 Ų | 81 | 84.9 Ų | 84.9 | 31% | 0.306 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 172.3 | -71.7 | 165.3 | -178 | 170.3 | 1.3 | 111.5 | N565 C566 H567 I571 S572 F573 G875 Y924 | N565-R569 VanDerWaalsContact O-CG 3.31Å; N565-R569 WeakPolarHBondContact O-CG 3.38Å; N565-R569 PolarHBondContact O-N 3.33Å; C566-R569 WeakPolarHBondContact O-CB 3.47Å; C566-R569 PolarHBondContact O-N 3.12Å; H567-R569 VanDerWaalsContact C-N 3.31Å; H567-R569 PolarHBondContact O-N 3.26Å; R569-I571 VanDerWaalsContact C-N 3.32Å; R569-I571 PolarHBondContact O-N 3.23Å; R569-S572 PolarHBondContact O-N 3.26Å; R569-S572 VanDerWaalsContact O-N 3.16Å; R569-F573 VanDerWaalsContact O-CD2 3.25Å; R569-F573 WeakPolarHBondContact O-CD2 3.27Å; R569-F573 PolarHBondContact O-N 2.66Å; R569-G875 VanDerWaalsContact NH2-C 3.28Å; R569-G875 PolarHBondContact NH2-O 3.14Å; R569-Y924 PolarHBondContact NH1-OH 2.66Å |
| 570 | M | 79.1 | Confident | 68.6 | Low | 92 Ų | 92 | 90.5 Ų | 90.5 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 178.7 | -71.1 | -171.2 | -70.8 | 0 | 0 | 113.1 | C566 H567 K574 | C566-M570 WeakPolarHBondContact O-CG 3.48Å; C566-M570 PolarHBondContact O-N 2.92Å; H567-M570 PolarHBondContact O-N 3.17Å; M570-K574 PolarHBondContact O-N 2.94Å |
| 571 | I | 77.7 | Confident | 65.6 | Low | 63 Ų | 63 | 96.2 Ų | 96.2 | 32% | 0.323 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 172.1 | -65.4 | 170.2 | 0 | 0 | 0 | 110.2 | H567 M568 R569 F573 K574 E575 | H567-I571 PolarHBondContact O-N 3.39Å; M568-I571 PolarHBondContact O-N 2.96Å; R569-I571 VanDerWaalsContact C-N 3.32Å; R569-I571 PolarHBondContact O-N 3.23Å; I571-F573 PolarHBondContact O-N 3.26Å; I571-F573 VanDerWaalsContact O-N 3.13Å; I571-K574 PolarHBondContact O-N 3.48Å; I571-E575 HydrophobicContact CG2-CG 4.25Å; I571-E575 PolarHBondContact O-N 3.01Å; I571-E575 VanDerWaalsContact O-N 3.16Å |
| 572 | S | 72.7 | Confident | 62.6 | Low | 64 Ų | 64 | 102.8 Ų | 102.8 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -26.1 | -179.1 | -173.6 | 0 | 0 | 0 | 0 | 114 | M568 R569 | M568-S572 WeakPolarHBondContact O-CB 3.3Å; M568-S572 PolarHBondContact O-N 3.33Å; R569-S572 PolarHBondContact O-N 3.26Å; R569-S572 VanDerWaalsContact O-N 3.16Å |
| 573 | F | 58.6 | Low | 59.5 | Low | 139 Ų | 139 | 109.6 Ų | 109.6 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.9 | -26.7 | 171.3 | -83.7 | -69.9 | 0 | 0 | 0 | 114.1 | R569 I571 | R569-F573 VanDerWaalsContact O-CD2 3.25Å; R569-F573 WeakPolarHBondContact O-CD2 3.27Å; R569-F573 PolarHBondContact O-N 2.66Å; I571-F573 PolarHBondContact O-N 3.26Å; I571-F573 VanDerWaalsContact O-N 3.13Å |
| 574 | K | 51.8 | Low | 56.4 | Low | 177 Ų | 177 | 116.4 Ų | 116.4 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -83.2 | -27.5 | 178.2 | -71.7 | -178.3 | 177.8 | 179.8 | 0 | 113.3 | M570 I571 K576 | M570-K574 PolarHBondContact O-N 2.94Å; I571-K574 PolarHBondContact O-N 3.48Å; K574-K576 VanDerWaalsContact C-N 3.28Å; K574-K576 PolarHBondContact O-N 3.46Å |
| 575 | E | 48.8 | Very low | 53.3 | Low | 152 Ų | 152 | 120.7 Ų | 120.7 | 71% | 0.71 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -84.2 | 17.3 | -177.1 | -65.2 | -173.3 | 146.6 | 0 | 0 | 115.1 | I571 | I571-E575 HydrophobicContact CG2-CG 4.25Å; I571-E575 PolarHBondContact O-N 3.01Å; I571-E575 VanDerWaalsContact O-N 3.16Å |
| 576 | K | 32 | Very low | 50.3 | Low | 174 Ų | 174 | 124.9 Ų | 124.9 | 76% | 0.757 | 65% | 0.645 | S | S | * | * | trans | -130.8 | 91.1 | 170.7 | -76.6 | -163.2 | 170.8 | -169.3 | 0 | 113 | K574 | K574-K576 VanDerWaalsContact C-N 3.28Å; K574-K576 PolarHBondContact O-N 3.46Å | ||
| 577 | P | 30.4 | Very low | 47.2 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 71% | 0.714 | 68% | 0.68 | S | S | * | * | -119.5 | 168.7 | 114.5 | 35.9 | -34 | 0 | 0 | 0 | 112.3 | |||||
| 578 | L | 29.2 | Very low | 44.3 | Very low | 173 Ų | 173 | 131 Ų | 131 | 91% | 0.906 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 73.3 | 72.8 | 173.4 | -58.2 | 165.5 | 0 | 0 | 0 | 118 | ||
| 579 | S | 29.4 | Very low | 41.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | -172.5 | 155.2 | 111.8 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 580 | S | 28.9 | Very low | 38.8 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | trans | -142.9 | 97.2 | 175.3 | -64.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 581 | E | 29.5 | Very low | 36.5 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | 177.1 | 149.1 | 150.4 | -101.3 | 161.7 | -172.3 | 0 | 0 | 108.8 | ||||
| 582 | E | 28.3 | Very low | 34.1 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 62.9 | 142.7 | 179.7 | -57.7 | -173 | 171.2 | 0 | 0 | 116 | ||||
| 583 | L | 30.1 | Very low | 31.9 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | cis | -146.3 | 143.5 | 6.3 | -130.4 | 156.9 | 0 | 0 | 0 | 109.6 | ||||
| 584 | H | 28.5 | Very low | 30.6 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -78.4 | 119.1 | 173 | -81 | -108.4 | 0 | 0 | 0 | 111.1 | ||||
| 585 | L | 27.3 | Very low | 29.5 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -173.4 | 134.7 | 148.5 | -104.9 | 152.3 | 0 | 0 | 0 | 112.7 | ||||
| 586 | S | 25.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 52.3 | 126.3 | 164.6 | -72.5 | 0 | 0 | 0 | 0 | 122.4 | ||
| 587 | G | 26.1 | Very low | 28 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | 92.1 | 30.3 | 128.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | V589 | G587-V589 PolarHBondContact O-N 3.37Š| |||
| 588 | N | 27 | Very low | 27.8 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 84.3 | -172.2 | -139.6 | 2.7 | 0 | 0 | 0 | 114.1 | F590 | N588-F590 PolarHBondContact O-N 3.27Š| ||
| 589 | V | 26.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | trans | -87.4 | 74.9 | 166.8 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | G587 | G587-V589 PolarHBondContact O-N 3.37Š| ||
| 590 | F | 26.9 | Very low | 27.4 | Very low | 171 Ų | 171 | 138 Ų | 138 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | trans | -141.8 | 82.1 | 172.1 | -91.5 | -74.6 | 0 | 0 | 0 | 110.4 | N588 R592 | N588-F590 PolarHBondContact O-N 3.27Å; F590-R592 PolarHBondContact O-N 2.91Å | ||
| 591 | S | 29.8 | Very low | 27.6 | Very low | 127 Ų | 127 | 138 Ų | 138 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -73.1 | 96.1 | 175 | -162.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 592 | R | 28.3 | Very low | 27.5 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 61% | 0.611 | 79% | 0.792 | S | S | * | * | trans | -94.4 | 88.1 | 177.6 | -82.9 | 177.7 | 147 | -161.7 | -5 | 111.2 | F590 | F590-R592 PolarHBondContact O-N 2.91Š| ||
| 593 | S | 26.7 | Very low | 27.6 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | 179.9 | 105.7 | 150.9 | 51 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 594 | H | 30.8 | Very low | 27.5 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 73% | 0.731 | 80% | 0.801 | S | S | * | * | trans | -153.9 | 84 | 149.4 | -84.2 | -62.8 | 0 | 0 | 0 | 109.6 | ||||
| 595 | V | 29 | Very low | 27.4 | Very low | 131 Ų | 131 | 128 Ų | 128 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -96.7 | 132 | 147.5 | 174.2 | 0 | 0 | 0 | 0 | 105 | C597 | V595-C597 PolarHBondContact O-N 2.66Š| ||
| 596 | C | 26.2 | Very low | 27.5 | Very low | 126 Ų | 126 | 129 Ų | 129 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -67.9 | 118.9 | -174 | -77.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 597 | C | 22.7 | Very low | 27.5 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -137.3 | 133.8 | 159.1 | -80.4 | 0 | 0 | 0 | 0 | 107.7 | V595 | V595-C597 PolarHBondContact O-N 2.66Š| ||
| 598 | P | 26.1 | Very low | 27.7 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -83 | 154.4 | -169.2 | 31.9 | -35.8 | 0 | 0 | 0 | 114.5 | ||||
| 599 | T | 24.5 | Very low | 27.6 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | 61.3 | 110.7 | 163.1 | 56 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 600 | S | 26.9 | Very low | 27.6 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | 175.9 | 139.5 | 93.2 | -165.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 601 | P | 31.2 | Very low | 27.4 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -109.1 | 137.8 | -175.1 | 37.6 | -30.6 | 0 | 0 | 0 | 115.5 | ||||
| 602 | A | 28.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | 178.7 | 140.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 603 | G | 30.6 | Very low | 26.9 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 156.9 | 95.2 | 166 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 604 | K | 27 | Very low | 26.8 | Very low | 222 Ų | 222 | 129.7 Ų | 129.7 | 97% | 0.965 | 80% | 0.803 | S | S | * | * | trans | -95.1 | 139.6 | 175.8 | -67.6 | -177.9 | 177.5 | -178.5 | 0 | 111.5 | ||||
| 605 | G | 28.1 | Very low | 26.4 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -149.9 | 140 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 606 | H | 28 | Very low | 26.3 | Very low | 183 Ų | 183 | 130.5 Ų | 130.5 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -70.7 | 142.6 | -170.9 | -82 | -100.6 | 0 | 0 | 0 | 114.3 | ||||
| 607 | P | 27.4 | Very low | 26.2 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -75.1 | 145.7 | 156.2 | 33.6 | -32.7 | 0 | 0 | 0 | 110.2 | ||||
| 608 | T | 30 | Very low | 26.3 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -122.6 | 141.2 | 171.7 | -58 | 0 | 0 | 0 | 0 | 110 | ||||
| 609 | I | 23.6 | Very low | 26.3 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | -76.1 | 137.6 | -173.9 | -62.2 | 155.6 | 0 | 0 | 0 | 110.9 | T611 | I609-T611 HydrophobicContact CG2-CG2 4.35Š| ||
| 610 | C | 27.7 | Very low | 26.4 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | trans | -142 | 139.8 | 149.2 | -90.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 611 | T | 22.4 | Very low | 26.4 | Very low | 111 Ų | 111 | 139 Ų | 139 | 68% | 0.681 | 82% | 0.816 | S | S | * | * | trans | -123.9 | 168.4 | 179.2 | 45.7 | 0 | 0 | 0 | 0 | 110.1 | I609 | I609-T611 HydrophobicContact CG2-CG2 4.35Š| ||
| 612 | E | 23.9 | Very low | 26.1 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | 72.2 | 150.2 | 171.3 | -58.8 | -178.7 | -176.7 | 0 | 0 | 116.6 | ||||
| 613 | A | 24 | Very low | 25.9 | Very low | 76 Ų | 76 | 140 Ų | 140 | 63% | 0.628 | 81% | 0.812 | S | S | * | * | cis | -165.1 | 159.5 | -22.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 614 | T | 23.9 | Very low | 25.9 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | trans | 63.7 | 124.8 | 150.6 | 47.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 615 | K | 23.2 | Very low | 25.8 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | 63.5 | 114.5 | 130.8 | -62.3 | 173.4 | -178.6 | 176.3 | 0 | 120.7 | ||||
| 616 | A | 27.8 | Very low | 25.7 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -142 | 146.7 | 140 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 617 | T | 23.3 | Very low | 25.6 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -115.7 | 153.5 | -174.5 | 39.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 618 | D | 23.9 | Very low | 25.6 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | 23.6 | 122.3 | 157 | -72.2 | -58.7 | 0 | 0 | 0 | 120.4 | ||||
| 619 | Q | 27.2 | Very low | 25.4 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -150.4 | 117.7 | 134.2 | -119.3 | 168.1 | 44 | 0 | 0 | 112.9 | ||||
| 620 | K | 25.4 | Very low | 25.6 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -86.4 | 119.6 | 166.5 | -74.5 | 176.5 | 176.5 | 172.6 | 0 | 109.8 | ||||
| 621 | V | 27.4 | Very low | 25.7 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 131.8 | 149.4 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 622 | A | 25.9 | Very low | 26.2 | Very low | 94 Ų | 94 | 154.8 Ų | 154.8 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -100.8 | 140.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 623 | L | 24.4 | Very low | 27.2 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -160.6 | 153.6 | 162.1 | -115.2 | 167.9 | 0 | 0 | 0 | 112.3 | ||||
| 624 | L | 28.9 | Very low | 28.5 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | 68.7 | 98.4 | 172.5 | -56.3 | -177.7 | 0 | 0 | 0 | 117.7 | ||||
| 625 | Q | 26.5 | Very low | 30.1 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 142 | 162 | -60.3 | 159.7 | -34.4 | 0 | 0 | 110.5 | ||||
| 626 | L | 25.9 | Very low | 32.1 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -131.8 | 143.9 | 152.6 | -87.3 | 170.5 | 0 | 0 | 0 | 108.8 | ||||
| 627 | P | 25.4 | Very low | 34.1 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | trans | -85.6 | 140.1 | -166.6 | 33.1 | -35.4 | 0 | 0 | 0 | 113.5 | ||||
| 628 | S | 27.1 | Very low | 36.7 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | 36.3 | 102.2 | 150.3 | 60 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 629 | F | 24.8 | Very low | 39.6 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | S | Bend | -172.4 | 153 | 105.3 | -105.3 | -75.6 | 0 | 0 | 0 | 110.2 | |||
| 630 | R | 28.1 | Very low | 42 | Very low | 215 Ų | 215 | 138.1 Ų | 138.1 | 81% | 0.811 | 71% | 0.708 | S | S | * | * | trans | 65.5 | 100.8 | -172.6 | -49.8 | -176.5 | -174.1 | -147.4 | 0.1 | 113.9 | ||||
| 631 | R | 29.9 | Very low | 44.7 | Very low | 235 Ų | 235 | 131.7 Ų | 131.7 | 89% | 0.887 | 69% | 0.688 | S | S | * | * | trans | -61.1 | 148.5 | 162.3 | -75.2 | 175.7 | 168.2 | 162.6 | -6.1 | 109.5 | R633 | R631-R633 PolarHBondContact O-N 3.37Å; R631-R633 VanDerWaalsContact O-N 3.14Å | ||
| 632 | N | 34.3 | Very low | 47.4 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 72% | 0.717 | 66% | 0.661 | S | S | * | * | trans | -47.1 | 120.1 | 171.1 | -70.7 | -0.2 | 0 | 0 | 0 | 110.1 | ||||
| 633 | R | 43.5 | Very low | 50.2 | Low | 166 Ų | 166 | 124.6 Ų | 124.6 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -85.2 | -38.4 | 176.5 | -103.5 | -171.4 | 148.1 | -173.2 | -10.8 | 112 | P507 R631 | P507-R633 HydrophobicContact CB-CB 4.34Å; P507-R633 HydrophobicContact CG-CB 3.88Å; P507-R633 HydrophobicContact CG-CG 3.81Å; P507-R633 WeakPolarHBondContact CG-O 3.27Å; R631-R633 PolarHBondContact O-N 3.37Å; R631-R633 VanDerWaalsContact O-N 3.14Å |
| 634 | D | 50.8 | Low | 53.1 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 40% | 0.401 | 61% | 0.612 | S | S | . | * | trans | -97.4 | 105.1 | 169.8 | -59.8 | -13.4 | 0 | 0 | 0 | 107.3 | P507 | P507-D634 WeakPolarHBondContact CB-OD1 3.37Š| ||
| 635 | R | 58.1 | Low | 55.6 | Low | 159 Ų | 159 | 115.4 Ų | 115.4 | 60% | 0.6 | 59% | 0.588 | S | S | * | * | trans | -83.7 | -24.6 | 175.6 | -65.6 | -168.7 | -169.3 | -171.7 | 10.9 | 112.6 | E398 | E398-R635 VanDerWaalsContact OE1-CD 3.26Å; E398-R635 WeakPolarHBondContact OE1-CD 3.43Å; E398-R635 IonicContact OE1-CZ 3.97Å; E398-R635 IonicContact OE1-NE 2.74Å; E398-R635 IonicContact OE1-NH1 2.68Å; E398-R635 PolarHBondContact OE1-NH1 2.82Å | ||
| 636 | T | 66.1 | Low | 58.4 | Low | 63 Ų | 63 | 112.9 Ų | 112.9 | 39% | 0.387 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -99.5 | 137.8 | -173.2 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | H871 | T636-H871 WeakPolarHBondContact CG2-NE2 3.24Å; T636-H871 PolarHBondContact OG1-CE1 3.03Å; T636-H871 PolarHBondContact OG1-ND1 3.26Å |
| 637 | S | 68.8 | Low | 61.3 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 144.2 | 177.4 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | ||
| 638 | P | 78.4 | Confident | 64.3 | Low | 78 Ų | 78 | 103.7 Ų | 103.7 | 51% | 0.506 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 143.5 | 170.6 | -28.1 | 36.2 | 0 | 0 | 0 | 112.4 | I642 P873 | P638-I642 HydrophobicContact CB-CD1 4.25Å; P638-P873 HydrophobicContact CB-CG 4.48Å; P638-P873 HydrophobicContact CG-CB 4.44Å; P638-P873 HydrophobicContact CG-CG 4.13Å |
| 639 | S | 84.6 | Confident | 67.1 | Low | 25 Ų | 25 | 102 Ų | 102 | 18% | 0.175 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -68 | 145 | 174.2 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | S641 I642 H871 | S639-S641 PolarHBondContact O-N 3.1Å; S639-I642 WeakPolarHBondContact O-CG1 3.39Å; S639-H871 WeakPolarHBondContact CB-O 3.26Å; S639-H871 PolarHBondContact N-O 3.34Å; S639-H871 PolarHBondContact OG-N 3.36Å; S639-H871 PolarHBondContact OG-O 3.32Å |
| 640 | P | 78.2 | Confident | 70.1 | Confident | 135 Ų | 135 | 95.4 Ų | 95.4 | 88% | 0.877 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -72.2 | -12.3 | -171.8 | 28.6 | -36.6 | 0 | 0 | 0 | 114.5 | ||
| 641 | S | 81.6 | Confident | 73.1 | Confident | 64 Ų | 64 | 87.8 Ų | 87.8 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | trans | -136.5 | 84 | 179.2 | 65.8 | 0 | 0 | 0 | 0 | 109.9 | S639 R868 | S639-S641 PolarHBondContact O-N 3.1Å; S641-R868 PolarHBondContact OG-NH2 2.92Å | ||
| 642 | I | 84.2 | Confident | 75.9 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 22% | 0.221 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 129.3 | 175 | -68.8 | 169.8 | 0 | 0 | 0 | 108.2 | P638 S639 A872 L876 Y877 | P638-I642 HydrophobicContact CB-CD1 4.25Å; S639-I642 WeakPolarHBondContact O-CG1 3.39Å; I642-A872 HydrophobicContact CD1-CB 4.35Å; I642-L876 HydrophobicContact CD1-CD1 4.06Å; I642-L876 HydrophobicContact CG2-CD1 4.13Å; I642-Y877 WeakPolarHBondContact CG2-OH 3.35Å |
| 643 | P | 85.8 | Confident | 78.6 | Confident | 33 Ų | 33 | 75.1 Ų | 75.1 | 21% | 0.214 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 152.7 | 179.3 | -22 | 33.5 | 0 | 0 | 0 | 113.4 | L515 D647 L648 L870 Y877 | L515-P643 HydrophobicContact CD1-CG 4.08Å; P643-D647 HydrophobicContact CB-CB 3.94Å; P643-L648 HydrophobicContact CB-CD2 3.7Å; P643-L648 HydrophobicContact CB-CG 4.21Å; P643-L648 HydrophobicContact CG-CD2 4.01Å; P643-L870 HydrophobicContact CG-CD1 4.48Å; P643-Y877 PolarHBondContact O-OH 2.89Å |
| 644 | S | 83.7 | Confident | 80.9 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 164 | 170.6 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | E646 D647 L648 | S644-E646 VanDerWaalsContact C-N 3.27Å; S644-E646 PolarHBondContact O-N 3.39Å; S644-E646 PolarHBondContact OG-N 2.99Å; S644-D647 VanDerWaalsContact CB-OD2 3.25Å; S644-D647 WeakPolarHBondContact CB-OD2 3.49Å; S644-D647 PolarHBondContact N-OD2 2.88Å; S644-D647 WeakPolarHBondContact O-CB 3.5Å; S644-D647 PolarHBondContact O-N 2.97Å; S644-D647 PolarHBondContact OG-N 2.79Å; S644-D647 VanDerWaalsContact OG-N 3.12Å; S644-D647 PolarHBondContact OG-OD2 3.18Å; S644-L648 PolarHBondContact O-N 3.07Å |
| 645 | H | 82 | Confident | 82.9 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 172.7 | 169.4 | 85.8 | 0 | 0 | 0 | 111.5 | D647 L648 V649 D880 | H645-D647 PolarHBondContact O-N 3.17Å; H645-L648 PolarHBondContact O-N 3.02Å; H645-V649 WeakPolarHBondContact O-CG2 3.36Å; H645-V649 PolarHBondContact O-N 2.67Å; H645-D880 IonicContact CE1-OD1 3.54Å; H645-D880 PolarHBondContact CE1-OD1 3.41Å; H645-D880 IonicContact CE1-OD2 2.7Å; H645-D880 PolarHBondContact CE1-OD2 3.12Å; H645-D880 IonicContact ND1-OD1 3.54Å; H645-D880 PolarHBondContact ND1-OD1 2.75Å; H645-D880 IonicContact ND1-OD2 3.58Å; H645-D880 PolarHBondContact ND1-OD2 3.22Å |
| 646 | E | 84.6 | Confident | 84.5 | Confident | 140 Ų | 140 | 69.5 Ų | 69.5 | 65% | 0.654 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 173.9 | -62.2 | -170.4 | 161.6 | 0 | 0 | 111.9 | S644 L648 V649 A650 | S644-E646 VanDerWaalsContact C-N 3.27Å; S644-E646 PolarHBondContact O-N 3.39Å; S644-E646 PolarHBondContact OG-N 2.99Å; E646-L648 VanDerWaalsContact C-N 3.34Å; E646-L648 PolarHBondContact O-N 3.44Å; E646-V649 PolarHBondContact O-N 3.28Å; E646-A650 WeakPolarHBondContact O-CB 3.43Å; E646-A650 PolarHBondContact O-N 3.16Å |
| 647 | D | 88.4 | Confident | 85.8 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 46% | 0.46 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 174.7 | -61.1 | -58.7 | 0 | 0 | 0 | 111.5 | P643 S644 H645 A650 L651 | P643-D647 HydrophobicContact CB-CB 3.94Å; S644-D647 VanDerWaalsContact CB-OD2 3.25Å; S644-D647 WeakPolarHBondContact CB-OD2 3.49Å; S644-D647 PolarHBondContact N-OD2 2.88Å; S644-D647 WeakPolarHBondContact O-CB 3.5Å; S644-D647 PolarHBondContact O-N 2.97Å; S644-D647 PolarHBondContact OG-N 2.79Å; S644-D647 VanDerWaalsContact OG-N 3.12Å; S644-D647 PolarHBondContact OG-OD2 3.18Å; H645-D647 PolarHBondContact O-N 3.17Å; D647-A650 PolarHBondContact O-N 2.97Å; D647-L651 WeakPolarHBondContact O-CB 3.5Å; D647-L651 VanDerWaalsContact O-CG 3.31Å; D647-L651 WeakPolarHBondContact O-CG 3.44Å; D647-L651 PolarHBondContact O-N 3.12Å |
| 648 | L | 87.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 179.1 | -66.7 | -162 | 0 | 0 | 0 | 112.7 | Y514 L515 C519 P643 S644 H645 E646 L651 K652 Y877 | Y514-L648 HydrophobicContact CD1-CD1 4.42Å; Y514-L648 HydrophobicContact CE1-CD1 3.75Å; L515-L648 HydrophobicContact CD1-CD1 4.12Å; L515-L648 HydrophobicContact CD1-CD2 3.82Å; C519-L648 HydrophobicContact CB-CD2 3.99Å; P643-L648 HydrophobicContact CB-CD2 3.7Å; P643-L648 HydrophobicContact CB-CG 4.21Å; P643-L648 HydrophobicContact CG-CD2 4.01Å; S644-L648 PolarHBondContact O-N 3.07Å; H645-L648 PolarHBondContact O-N 3.02Å; E646-L648 VanDerWaalsContact C-N 3.34Å; E646-L648 PolarHBondContact O-N 3.44Å; L648-L651 HydrophobicContact CD2-CD1 4.1Å; L648-L651 PolarHBondContact O-N 3.36Å; L648-K652 PolarHBondContact O-N 3.41Å; L648-Y877 HydrophobicContact CD1-CD1 3.78Å; L648-Y877 HydrophobicContact CD1-CD2 4.07Å; L648-Y877 HydrophobicContact CD1-CE1 3.45Å; L648-Y877 VanDerWaalsContact CD1-CE1 3.45Å; L648-Y877 HydrophobicContact CD1-CE2 3.77Å; L648-Y877 HydrophobicContact CD1-CG 4.08Å; L648-Y877 VanDerWaalsContact CD1-CZ 3.43Å; L648-Y877 HydrophobicContact CG-CE1 4.27Å |
| 649 | V | 85.4 | Confident | 87.5 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.376 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | H645 E646 T653 | H645-V649 WeakPolarHBondContact O-CG2 3.36Å; H645-V649 PolarHBondContact O-N 2.67Å; E646-V649 PolarHBondContact O-N 3.28Å; V649-T653 VanDerWaalsContact O-CB 3.25Å; V649-T653 WeakPolarHBondContact O-CB 3.25Å; V649-T653 PolarHBondContact O-N 3.23Å; V649-T653 PolarHBondContact O-OG1 3.31Å |
| 650 | A | 88.7 | Confident | 87.9 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | E646 D647 T653 K654 | E646-A650 WeakPolarHBondContact O-CB 3.43Å; E646-A650 PolarHBondContact O-N 3.16Å; D647-A650 PolarHBondContact O-N 2.97Å; A650-T653 PolarHBondContact O-N 2.81Å; A650-K654 VanDerWaalsContact O-CB 3.3Å; A650-K654 WeakPolarHBondContact O-CB 3.26Å; A650-K654 PolarHBondContact O-N 2.99Å |
| 651 | L | 90.7 | Very high | 88.7 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 29% | 0.293 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 176.7 | -81.4 | 163.7 | 0 | 0 | 0 | 112.9 | L521 D647 L648 T653 K654 K655 | L521-L651 HydrophobicContact CD2-CD2 4.28Å; L521-L651 HydrophobicContact CG-CD2 4.4Å; D647-L651 WeakPolarHBondContact O-CB 3.5Å; D647-L651 VanDerWaalsContact O-CG 3.31Å; D647-L651 WeakPolarHBondContact O-CG 3.44Å; D647-L651 PolarHBondContact O-N 3.12Å; L648-L651 HydrophobicContact CD2-CD1 4.1Å; L648-L651 PolarHBondContact O-N 3.36Å; L651-T653 VanDerWaalsContact C-N 3.31Å; L651-T653 PolarHBondContact O-N 3.49Å; L651-K654 PolarHBondContact O-N 3.27Å; L651-K655 WeakPolarHBondContact O-CB 3.31Å; L651-K655 PolarHBondContact O-N 2.81Å |
| 652 | K | 89.5 | Confident | 89.3 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 18% | 0.183 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 175.8 | -113.5 | -156.9 | -176 | -164.4 | 0 | 111.2 | Y514 D518 E528 L648 K655 R656 | Y514-K652 HydrophobicContact CE2-CD 4.4Å; D518-K652 IonicContact OD2-NZ 2.86Å; D518-K652 PolarHBondContact OD2-NZ 2.81Å; E528-K652 IonicContact OE2-NZ 2.69Å; E528-K652 PolarHBondContact OE2-NZ 2.99Å; L648-K652 PolarHBondContact O-N 3.41Å; K652-K655 PolarHBondContact O-N 2.7Å; K652-R656 WeakPolarHBondContact O-CB 3.07Å; K652-R656 PolarHBondContact O-N 3.38Å |
| 653 | T | 89.8 | Confident | 89.7 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 37% | 0.368 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 173.7 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | V649 A650 L651 R656 I657 | V649-T653 VanDerWaalsContact O-CB 3.25Å; V649-T653 WeakPolarHBondContact O-CB 3.25Å; V649-T653 PolarHBondContact O-N 3.23Å; V649-T653 PolarHBondContact O-OG1 3.31Å; A650-T653 PolarHBondContact O-N 2.81Å; L651-T653 VanDerWaalsContact C-N 3.31Å; L651-T653 PolarHBondContact O-N 3.49Å; T653-R656 PolarHBondContact O-N 2.91Å; T653-I657 HydrophobicContact CG2-CD1 3.97Å; T653-I657 WeakPolarHBondContact O-CG1 3.37Å; T653-I657 PolarHBondContact O-N 2.9Å; T653-I657 VanDerWaalsContact O-N 3.14Å |
| 654 | K | 92.2 | Very high | 90.2 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 175.1 | -176.3 | 170.6 | 178.8 | 175.5 | 0 | 111.6 | L521 A650 L651 R656 I657 L658 L681 | L521-K654 HydrophobicContact CD1-CD 4.13Å; L521-K654 HydrophobicContact CD1-CG 4.5Å; L521-K654 HydrophobicContact CD2-CB 4.05Å; L521-K654 HydrophobicContact CD2-CD 4.15Å; L521-K654 HydrophobicContact CD2-CG 3.8Å; A650-K654 VanDerWaalsContact O-CB 3.3Å; A650-K654 WeakPolarHBondContact O-CB 3.26Å; A650-K654 PolarHBondContact O-N 2.99Å; L651-K654 PolarHBondContact O-N 3.27Å; K654-R656 PolarHBondContact O-N 3.26Å; K654-I657 PolarHBondContact O-N 3.23Å; K654-L658 WeakPolarHBondContact O-CB 3.43Å; K654-L658 PolarHBondContact O-N 3.03Å; K654-L681 HydrophobicContact CD-CD2 4.16Å; K654-L681 HydrophobicContact CG-CD1 4.14Å; K654-L681 HydrophobicContact CG-CD2 3.88Å |
| 655 | K | 92.9 | Very high | 90.8 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 176.7 | -171.5 | -177.2 | -170 | 175.5 | 0 | 112.2 | Y517 D518 D520 L521 C523 S524 S525 L651 K652 T659 | Y517-K655 PolarHBondContact O-NZ 2.67Å; D518-K655 WeakPolarHBondContact O-CD 3.48Å; D518-K655 PolarHBondContact O-NZ 3.37Å; D520-K655 WeakPolarHBondContact O-CD 3.47Å; D520-K655 WeakPolarHBondContact O-CE 3.46Å; D520-K655 PolarHBondContact O-NZ 3.16Å; D520-K655 VanDerWaalsContact O-NZ 3.12Å; L521-K655 HydrophobicContact CD2-CB 4.07Å; C523-K655 WeakPolarHBondContact O-CE 3.39Å; C523-K655 PolarHBondContact O-NZ 2.8Å; S524-K655 PolarHBondContact O-NZ 2.98Å; S525-K655 PolarHBondContact OG-NZ 3.42Å; S525-K655 VanDerWaalsContact OG-NZ 3.08Å; L651-K655 WeakPolarHBondContact O-CB 3.31Å; L651-K655 PolarHBondContact O-N 2.81Å; K652-K655 PolarHBondContact O-N 2.7Å; K655-T659 WeakPolarHBondContact O-CB 3.41Å; K655-T659 PolarHBondContact O-N 3.03Å; K655-T659 PolarHBondContact O-OG1 3.31Å |
| 656 | R | 91.2 | Very high | 91.3 | Very high | 183 Ų | 183 | 51.7 Ų | 51.7 | 69% | 0.691 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.6 | -49.3 | 179 | -171.5 | 179.3 | 70.2 | -171.4 | 0 | 111.7 | K652 T653 K654 T659 A660 | K652-R656 WeakPolarHBondContact O-CB 3.07Å; K652-R656 PolarHBondContact O-N 3.38Å; T653-R656 PolarHBondContact O-N 2.91Å; K654-R656 PolarHBondContact O-N 3.26Å; R656-T659 PolarHBondContact O-N 3.06Å; R656-A660 PolarHBondContact O-N 3.31Å; R656-A660 VanDerWaalsContact O-N 3.08Å |
| 657 | I | 93.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 178.8 | -62.3 | 166.9 | 0 | 0 | 0 | 110.5 | T653 K654 T659 A660 G661 Y675 L676 H679 L681 | T653-I657 HydrophobicContact CG2-CD1 3.97Å; T653-I657 WeakPolarHBondContact O-CG1 3.37Å; T653-I657 PolarHBondContact O-N 2.9Å; T653-I657 VanDerWaalsContact O-N 3.14Å; K654-I657 PolarHBondContact O-N 3.23Å; I657-T659 VanDerWaalsContact C-N 3.31Å; I657-T659 PolarHBondContact O-N 3.42Å; I657-A660 PolarHBondContact O-N 3.11Å; I657-G661 PolarHBondContact O-N 3.21Å; I657-Y675 HydrophobicContact CG2-CE1 3.89Å; I657-L676 HydrophobicContact CG2-CD2 4.33Å; I657-H679 HydrophobicContact CD1-CB 4.22Å; I657-H679 HydrophobicContact CG2-CB 3.53Å; I657-L681 HydrophobicContact CB-CD1 3.92Å; I657-L681 HydrophobicContact CG2-CD1 3.58Å; I657-L681 HydrophobicContact CG2-CG 4.31Å |
| 658 | L | 92.5 | Very high | 92 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 177.1 | -175.2 | 68 | 0 | 0 | 0 | 111.8 | L521 Y522 K654 S662 L681 | L521-L658 HydrophobicContact CB-CD2 3.9Å; L521-L658 HydrophobicContact CD1-CD2 4.43Å; L521-L658 HydrophobicContact CD2-CD2 4.4Å; L521-L658 HydrophobicContact CG-CD2 4.48Å; Y522-L658 HydrophobicContact CD1-CD2 4.45Å; Y522-L658 HydrophobicContact CE1-CD2 3.85Å; K654-L658 WeakPolarHBondContact O-CB 3.43Å; K654-L658 PolarHBondContact O-N 3.03Å; L658-S662 WeakPolarHBondContact O-CB 3.34Å; L658-S662 PolarHBondContact O-N 2.98Å; L658-S662 PolarHBondContact O-OG 3.06Å; L658-L681 HydrophobicContact CB-CD1 4.46Å |
| 659 | T | 91.2 | Very high | 92.3 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -51.8 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | K655 R656 I657 G661 S662 E663 | K655-T659 WeakPolarHBondContact O-CB 3.41Å; K655-T659 PolarHBondContact O-N 3.03Å; K655-T659 PolarHBondContact O-OG1 3.31Å; R656-T659 PolarHBondContact O-N 3.06Å; I657-T659 VanDerWaalsContact C-N 3.31Å; I657-T659 PolarHBondContact O-N 3.42Å; T659-G661 VanDerWaalsContact C-N 3.34Å; T659-G661 PolarHBondContact O-N 2.96Å; T659-S662 WeakPolarHBondContact O-CB 3.34Å; T659-S662 PolarHBondContact O-N 3.34Å; T659-S662 VanDerWaalsContact O-N 3.09Å; T659-E663 PolarHBondContact O-N 3.41Å |
| 660 | A | 92.9 | Very high | 92.6 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 26% | 0.256 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R656 I657 S662 E663 L664 Y675 | R656-A660 PolarHBondContact O-N 3.31Å; R656-A660 VanDerWaalsContact O-N 3.08Å; I657-A660 PolarHBondContact O-N 3.11Å; A660-S662 VanDerWaalsContact C-N 3.33Å; A660-S662 PolarHBondContact O-N 3.45Å; A660-E663 PolarHBondContact O-N 3.28Å; A660-L664 WeakPolarHBondContact O-CB 3.46Å; A660-L664 VanDerWaalsContact O-CG 3.31Å; A660-L664 WeakPolarHBondContact O-CG 3.47Å; A660-L664 PolarHBondContact O-N 3.03Å; A660-Y675 HydrophobicContact CB-CE1 3.82Å |
| 661 | G | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I657 T659 F665 G672 | I657-G661 PolarHBondContact O-N 3.21Å; T659-G661 VanDerWaalsContact C-N 3.34Å; T659-G661 PolarHBondContact O-N 2.96Å; G661-F665 WeakPolarHBondContact O-CB 3.31Å; G661-F665 PolarHBondContact O-N 3.06Å; G661-G672 WeakPolarHBondContact O-CA 3.49Å |
| 662 | S | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.1 | -42.8 | 174.4 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | L658 T659 A660 F665 N666 N698 | L658-S662 WeakPolarHBondContact O-CB 3.34Å; L658-S662 PolarHBondContact O-N 2.98Å; L658-S662 PolarHBondContact O-OG 3.06Å; T659-S662 WeakPolarHBondContact O-CB 3.34Å; T659-S662 PolarHBondContact O-N 3.34Å; T659-S662 VanDerWaalsContact O-N 3.09Å; A660-S662 VanDerWaalsContact C-N 3.33Å; A660-S662 PolarHBondContact O-N 3.45Å; S662-F665 PolarHBondContact O-N 2.83Å; S662-N666 WeakPolarHBondContact O-CB 3.35Å; S662-N666 PolarHBondContact O-N 3.08Å; S662-N666 PolarHBondContact O-ND2 3.43Å; S662-N698 PolarHBondContact OG-ND2 3.08Å |
| 663 | E | 94 | Very high | 93.2 | Very high | 111 Ų | 111 | 54.1 Ų | 54.1 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 174.4 | -70.8 | 173.9 | -166 | 0 | 0 | 111.6 | T659 A660 N666 Q667 | T659-E663 PolarHBondContact O-N 3.41Å; A660-E663 PolarHBondContact O-N 3.28Å; E663-N666 PolarHBondContact O-N 3.41Å; E663-Q667 WeakPolarHBondContact O-CG 3.25Å; E663-Q667 PolarHBondContact O-N 3.08Å; E663-Q667 VanDerWaalsContact O-N 3.09Å |
| 664 | L | 95.3 | Very high | 93.3 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 27% | 0.272 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 174 | -74 | 170.5 | 0 | 0 | 0 | 112.4 | A660 Q667 Q668 Y675 | A660-L664 WeakPolarHBondContact O-CB 3.46Å; A660-L664 VanDerWaalsContact O-CG 3.31Å; A660-L664 WeakPolarHBondContact O-CG 3.47Å; A660-L664 PolarHBondContact O-N 3.03Å; L664-Q667 PolarHBondContact O-N 2.68Å; L664-Q668 CarbonylContact O-C 3.6Å; L664-Q668 PolarHBondContact O-N 3.31Å; L664-Q668 VanDerWaalsContact O-O 3.06Å; L664-Y675 HydrophobicContact CD1-CD1 3.86Å; L664-Y675 HydrophobicContact CD1-CD2 3.97Å; L664-Y675 HydrophobicContact CD1-CE1 4.45Å; L664-Y675 HydrophobicContact CD1-CG 3.58Å |
| 665 | F | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 173.8 | -177.1 | -83.3 | 0 | 0 | 0 | 111.4 | G661 S662 Q667 Q668 P669 I673 W694 L695 L701 K705 I706 F709 | G661-F665 WeakPolarHBondContact O-CB 3.31Å; G661-F665 PolarHBondContact O-N 3.06Å; S662-F665 PolarHBondContact O-N 2.83Å; F665-Q667 PolarHBondContact O-N 2.81Å; F665-Q668 CarbonylContact O-C 3.55Å; F665-Q668 PolarHBondContact O-N 3.41Å; F665-P669 HydrophobicContact CD2-CB 3.85Å; F665-P669 WeakPolarHBondContact CD2-O 3.25Å; F665-P669 HydrophobicContact CE1-CB 4.4Å; F665-P669 HydrophobicContact CE1-CG 4.27Å; F665-P669 HydrophobicContact CE2-CB 3.58Å; F665-P669 HydrophobicContact CE2-CG 4.31Å; F665-P669 HydrophobicContact CG-CB 4.37Å; F665-P669 HydrophobicContact CZ-CB 3.88Å; F665-P669 HydrophobicContact CZ-CG 4.15Å; F665-P669 WeakPolarHBondContact O-CA 3.47Å; F665-P669 VanDerWaalsContact O-CD 3.29Å; F665-P669 WeakPolarHBondContact O-CD 3.44Å; F665-P669 VanDerWaalsContact O-N 3.14Å; F665-I673 HydrophobicContact CD2-CG1 4.19Å; F665-I673 HydrophobicContact CE2-CD1 4.2Å; F665-I673 HydrophobicContact CE2-CG1 4.32Å; F665-W694 HydrophobicContact CB-CH2 4Å; F665-W694 AromaticContact CD2-CH2 3.63Å; F665-W694 HydrophobicContact CD2-CH2 3.63Å; F665-W694 AromaticContact CD2-CZ3 3.71Å; F665-W694 HydrophobicContact CD2-CZ3 3.71Å; F665-W694 HydrophobicContact CE2-CH2 4.25Å; F665-W694 AromaticContact CE2-CZ3 3.87Å; F665-W694 HydrophobicContact CE2-CZ3 3.87Å; F665-W694 AromaticContact CG-CH2 3.84Å; F665-W694 HydrophobicContact CG-CH2 3.84Å; F665-W694 HydrophobicContact CG-CZ3 4.3Å; F665-L695 HydrophobicContact CE1-CD2 4.38Å; F665-L695 HydrophobicContact CE2-CD2 3.83Å; F665-L695 HydrophobicContact CZ-CD2 3.56Å; F665-L701 HydrophobicContact CB-CD2 4.11Å; F665-L701 HydrophobicContact CD1-CD2 3.78Å; F665-L701 HydrophobicContact CE1-CD2 4.46Å; F665-L701 HydrophobicContact CG-CD2 4.05Å; F665-K705 HydrophobicContact CD1-CB 4.32Å; F665-K705 HydrophobicContact CE1-CB 3.97Å; F665-I706 HydrophobicContact CE1-CG1 4.25Å; F665-F709 HydrophobicContact CE2-CD1 4.42Å; F665-F709 HydrophobicContact CE2-CG 4.41Å; F665-F709 HydrophobicContact CZ-CB 4.19Å; F665-F709 HydrophobicContact CZ-CD1 4.44Å; F665-F709 HydrophobicContact CZ-CG 4.36Å |
| 666 | N | 93.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -29 | 179.2 | -70.4 | -17.4 | 0 | 0 | 0 | 112.2 | S662 E663 R700 L701 N702 K705 | S662-N666 WeakPolarHBondContact O-CB 3.35Å; S662-N666 PolarHBondContact O-N 3.08Å; S662-N666 PolarHBondContact O-ND2 3.43Å; E663-N666 PolarHBondContact O-N 3.41Å; N666-R700 PolarHBondContact ND2-O 3.34Å; N666-L701 WeakPolarHBondContact OD1-CA 3.46Å; N666-N702 HydrophobicContact CB-CB 4.48Å; N666-N702 WeakPolarHBondContact OD1-CB 3.3Å; N666-N702 PolarHBondContact OD1-N 2.94Å; N666-K705 WeakPolarHBondContact O-CD 3.42Å; N666-K705 VanDerWaalsContact O-CE 3.31Å; N666-K705 WeakPolarHBondContact O-CE 3.24Å; N666-K705 WeakPolarHBondContact O-CG 3.44Å |
| 667 | Q | 93.7 | Very high | 93.6 | Very high | 131 Ų | 131 | 44.3 Ų | 44.3 | 61% | 0.612 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -77.2 | -58.9 | 169 | -65.4 | 171.5 | 35.7 | 0 | 0 | 111.9 | E663 L664 F665 | E663-Q667 WeakPolarHBondContact O-CG 3.25Å; E663-Q667 PolarHBondContact O-N 3.08Å; E663-Q667 VanDerWaalsContact O-N 3.09Å; L664-Q667 PolarHBondContact O-N 2.68Å; F665-Q667 PolarHBondContact O-N 2.81Å |
| 668 | Q | 93.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 50.5 Ų | 50.5 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | trans | -145.3 | 105.5 | -178.7 | -69.5 | -171.6 | -35.4 | 0 | 0 | 110.4 | L664 F665 L670 K671 G672 | L664-Q668 CarbonylContact O-C 3.6Å; L664-Q668 PolarHBondContact O-N 3.31Å; L664-Q668 VanDerWaalsContact O-O 3.06Å; F665-Q668 CarbonylContact O-C 3.55Å; F665-Q668 PolarHBondContact O-N 3.41Å; Q668-L670 VanDerWaalsContact C-N 3.32Å; Q668-L670 PolarHBondContact O-N 2.83Å; Q668-L670 VanDerWaalsContact O-N 3.08Å; Q668-K671 HydrophobicContact CB-CB 4.39Å; Q668-K671 HydrophobicContact CB-CD 4.27Å; Q668-K671 HydrophobicContact CB-CG 4.36Å; Q668-K671 WeakPolarHBondContact O-CB 3.23Å; Q668-K671 PolarHBondContact O-N 2.92Å; Q668-G672 PolarHBondContact O-N 2.96Å | ||
| 669 | P | 93.2 | Very high | 93.7 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -47.5 | -45.2 | -171.2 | -37 | 39.2 | 0 | 0 | 0 | 116 | F665 K671 G672 I673 K705 F709 | F665-P669 HydrophobicContact CD2-CB 3.85Å; F665-P669 WeakPolarHBondContact CD2-O 3.25Å; F665-P669 HydrophobicContact CE1-CB 4.4Å; F665-P669 HydrophobicContact CE1-CG 4.27Å; F665-P669 HydrophobicContact CE2-CB 3.58Å; F665-P669 HydrophobicContact CE2-CG 4.31Å; F665-P669 HydrophobicContact CG-CB 4.37Å; F665-P669 HydrophobicContact CZ-CB 3.88Å; F665-P669 HydrophobicContact CZ-CG 4.15Å; F665-P669 WeakPolarHBondContact O-CA 3.47Å; F665-P669 VanDerWaalsContact O-CD 3.29Å; F665-P669 WeakPolarHBondContact O-CD 3.44Å; F665-P669 VanDerWaalsContact O-N 3.14Å; P669-K671 VanDerWaalsContact C-N 3.3Å; P669-K671 PolarHBondContact O-N 3.12Å; P669-G672 PolarHBondContact O-N 2.93Å; P669-I673 WeakPolarHBondContact O-CG1 3.21Å; P669-I673 PolarHBondContact O-N 3.33Å; P669-K705 HydrophobicContact CG-CD 4.34Å; P669-F709 HydrophobicContact CB-CB 3.97Å; P669-F709 HydrophobicContact CB-CD2 3.6Å; P669-F709 HydrophobicContact CB-CE2 4.39Å; P669-F709 HydrophobicContact CB-CG 3.95Å; P669-F709 HydrophobicContact CG-CB 4.14Å |
| 670 | L | 92.4 | Very high | 93.6 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 62% | 0.618 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.3 | -29 | 179.9 | -68.1 | 172.1 | 0 | 0 | 0 | 113.7 | Q668 A674 F709 | Q668-L670 VanDerWaalsContact C-N 3.32Å; Q668-L670 PolarHBondContact O-N 2.83Å; Q668-L670 VanDerWaalsContact O-N 3.08Å; L670-A674 VanDerWaalsContact O-CB 3.29Å; L670-A674 WeakPolarHBondContact O-CB 3.4Å; L670-A674 PolarHBondContact O-N 2.85Å; L670-F709 HydrophobicContact CD2-CE2 3.91Å |
| 671 | K | 94.1 | Very high | 93.4 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.4 | -41.3 | 174.6 | -76 | -176.5 | 175.5 | 161.5 | 0 | 111.8 | Q668 P669 A674 Y675 | Q668-K671 HydrophobicContact CB-CB 4.39Å; Q668-K671 HydrophobicContact CB-CD 4.27Å; Q668-K671 HydrophobicContact CB-CG 4.36Å; Q668-K671 WeakPolarHBondContact O-CB 3.23Å; Q668-K671 PolarHBondContact O-N 2.92Å; P669-K671 VanDerWaalsContact C-N 3.3Å; P669-K671 PolarHBondContact O-N 3.12Å; K671-A674 PolarHBondContact O-N 2.88Å; K671-Y675 VanDerWaalsContact O-CB 3.29Å; K671-Y675 WeakPolarHBondContact O-CB 3.37Å; K671-Y675 PolarHBondContact O-N 2.85Å |
| 672 | G | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G661 Q668 P669 L676 | G661-G672 WeakPolarHBondContact O-CA 3.49Å; Q668-G672 PolarHBondContact O-N 2.96Å; P669-G672 PolarHBondContact O-N 2.93Å; G672-L676 VanDerWaalsContact O-CG 3.29Å; G672-L676 WeakPolarHBondContact O-CG 3.4Å; G672-L676 PolarHBondContact O-N 3.05Å; G672-L676 VanDerWaalsContact O-N 3.09Å |
| 673 | I | 93.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -52.5 | 174.7 | -66.1 | 168.6 | 0 | 0 | 0 | 110.7 | F665 P669 Y675 L676 Q677 L682 Y686 L691 F709 | F665-I673 HydrophobicContact CD2-CG1 4.19Å; F665-I673 HydrophobicContact CE2-CD1 4.2Å; F665-I673 HydrophobicContact CE2-CG1 4.32Å; P669-I673 WeakPolarHBondContact O-CG1 3.21Å; P669-I673 PolarHBondContact O-N 3.33Å; I673-Y675 VanDerWaalsContact C-N 3.3Å; I673-Y675 PolarHBondContact O-N 3.42Å; I673-L676 PolarHBondContact O-N 3.32Å; I673-L676 VanDerWaalsContact O-N 3.1Å; I673-Q677 HydrophobicContact CG2-CG 4.32Å; I673-Q677 WeakPolarHBondContact O-CG 3.3Å; I673-Q677 PolarHBondContact O-N 3.15Å; I673-L682 HydrophobicContact CG2-CD1 4.17Å; I673-Y686 HydrophobicContact CG2-CD1 3.63Å; I673-Y686 HydrophobicContact CG2-CE1 3.97Å; I673-L691 HydrophobicContact CD1-CD1 3.93Å; I673-L691 HydrophobicContact CD1-CD2 4.33Å; I673-L691 HydrophobicContact CG1-CD1 4.04Å; I673-F709 HydrophobicContact CD1-CE1 3.76Å; I673-F709 HydrophobicContact CD1-CE2 3.73Å; I673-F709 HydrophobicContact CD1-CZ 3.28Å |
| 674 | A | 93.2 | Very high | 92.2 | Very high | 49 Ų | 49 | 64.3 Ų | 64.3 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L670 K671 Q677 E678 | L670-A674 VanDerWaalsContact O-CB 3.29Å; L670-A674 WeakPolarHBondContact O-CB 3.4Å; L670-A674 PolarHBondContact O-N 2.85Å; K671-A674 PolarHBondContact O-N 2.88Å; A674-Q677 WeakPolarHBondContact O-CB 3.38Å; A674-Q677 PolarHBondContact O-N 3.28Å; A674-E678 WeakPolarHBondContact O-CB 3.39Å; A674-E678 PolarHBondContact O-N 3.11Å |
| 675 | Y | 95.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 67.2 Ų | 67.2 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 175.9 | 177.9 | -100.8 | 0 | 0 | 0 | 112.8 | I657 A660 L664 K671 I673 Q677 H679 | I657-Y675 HydrophobicContact CG2-CE1 3.89Å; A660-Y675 HydrophobicContact CB-CE1 3.82Å; L664-Y675 HydrophobicContact CD1-CD1 3.86Å; L664-Y675 HydrophobicContact CD1-CD2 3.97Å; L664-Y675 HydrophobicContact CD1-CE1 4.45Å; L664-Y675 HydrophobicContact CD1-CG 3.58Å; K671-Y675 VanDerWaalsContact O-CB 3.29Å; K671-Y675 WeakPolarHBondContact O-CB 3.37Å; K671-Y675 PolarHBondContact O-N 2.85Å; I673-Y675 VanDerWaalsContact C-N 3.3Å; I673-Y675 PolarHBondContact O-N 3.42Å; Y675-Q677 VanDerWaalsContact C-N 3.32Å; Y675-H679 AromaticContact CD2-CD2 3.89Å; Y675-H679 AromaticContact CE1-CD2 3.79Å; Y675-H679 AromaticContact CE2-CD2 3.37Å; Y675-H679 WeakPolarHBondContact CE2-CD2 3.47Å; Y675-H679 AromaticContact CE2-NE2 3.23Å; Y675-H679 WeakPolarHBondContact CE2-NE2 3.3Å; Y675-H679 AromaticContact CZ-CD2 3.31Å; Y675-H679 AromaticContact CZ-NE2 3.36Å; Y675-H679 PolarHBondContact O-CD2 3.25Å; Y675-H679 PolarHBondContact O-N 3.04Å; Y675-H679 PolarHBondContact OH-CD2 3.26Å; Y675-H679 PolarHBondContact OH-NE2 2.98Å |
| 676 | L | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.4 | -29.5 | 174.4 | -68.2 | 170.6 | 0 | 0 | 0 | 112.2 | I657 G672 I673 N680 L681 L682 W694 | I657-L676 HydrophobicContact CG2-CD2 4.33Å; G672-L676 VanDerWaalsContact O-CG 3.29Å; G672-L676 WeakPolarHBondContact O-CG 3.4Å; G672-L676 PolarHBondContact O-N 3.05Å; G672-L676 VanDerWaalsContact O-N 3.09Å; I673-L676 PolarHBondContact O-N 3.32Å; I673-L676 VanDerWaalsContact O-N 3.1Å; L676-N680 PolarHBondContact O-N 3.27Å; L676-L681 HydrophobicContact CB-CB 4.38Å; L676-L681 HydrophobicContact CD2-CB 4.1Å; L676-L681 HydrophobicContact CD2-CD1 3.93Å; L676-L681 PolarHBondContact O-N 3.08Å; L676-L682 HydrophobicContact CB-CB 4.44Å; L676-L682 HydrophobicContact CB-CD1 3.94Å; L676-L682 HydrophobicContact CB-CG 4.07Å; L676-L682 HydrophobicContact CD1-CD1 4.15Å; L676-L682 PolarHBondContact O-N 3.01Å; L676-W694 HydrophobicContact CD1-CD2 4.35Å; L676-W694 HydrophobicContact CD1-CH2 3.89Å; L676-W694 HydrophobicContact CD1-CZ2 3.32Å |
| 677 | Q | 93.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 71.9 Ų | 71.9 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.1 | -46.4 | 172.1 | -67.9 | -178.8 | -70.8 | 0 | 0 | 112 | I673 A674 Y675 H679 N680 L682 D683 | I673-Q677 HydrophobicContact CG2-CG 4.32Å; I673-Q677 WeakPolarHBondContact O-CG 3.3Å; I673-Q677 PolarHBondContact O-N 3.15Å; A674-Q677 WeakPolarHBondContact O-CB 3.38Å; A674-Q677 PolarHBondContact O-N 3.28Å; Y675-Q677 VanDerWaalsContact C-N 3.32Å; Q677-H679 PolarHBondContact O-N 3.12Å; Q677-N680 PolarHBondContact O-N 2.9Å; Q677-L682 WeakPolarHBondContact CA-O 3.16Å; Q677-L682 HydrophobicContact CG-CB 3.92Å; Q677-D683 WeakPolarHBondContact CG-O 3.39Å; Q677-D683 PolarHBondContact NE2-O 3.39Å |
| 678 | E | 94 | Very high | 90.3 | Very high | 149 Ų | 149 | 68.5 Ų | 68.5 | 70% | 0.696 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -55.7 | -35.9 | 175.2 | -175.9 | 174.9 | -172.5 | 0 | 0 | 112.2 | A674 | A674-E678 WeakPolarHBondContact O-CB 3.39Å; A674-E678 PolarHBondContact O-N 3.11Å |
| 679 | H | 92.7 | Very high | 90.1 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 11.9 | 175.8 | -73 | -59.6 | 0 | 0 | 0 | 115.4 | I657 Y675 Q677 L681 | I657-H679 HydrophobicContact CD1-CB 4.22Å; I657-H679 HydrophobicContact CG2-CB 3.53Å; Y675-H679 AromaticContact CD2-CD2 3.89Å; Y675-H679 AromaticContact CE1-CD2 3.79Å; Y675-H679 AromaticContact CE2-CD2 3.37Å; Y675-H679 WeakPolarHBondContact CE2-CD2 3.47Å; Y675-H679 AromaticContact CE2-NE2 3.23Å; Y675-H679 WeakPolarHBondContact CE2-NE2 3.3Å; Y675-H679 AromaticContact CZ-CD2 3.31Å; Y675-H679 AromaticContact CZ-NE2 3.36Å; Y675-H679 PolarHBondContact O-CD2 3.25Å; Y675-H679 PolarHBondContact O-N 3.04Å; Y675-H679 PolarHBondContact OH-CD2 3.26Å; Y675-H679 PolarHBondContact OH-NE2 2.98Å; Q677-H679 PolarHBondContact O-N 3.12Å; H679-L681 VanDerWaalsContact C-N 3.25Å; H679-L681 PolarHBondContact O-N 3.46Å |
| 680 | N | 90.3 | Very high | 89.9 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 75% | 0.749 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31 | 177 | -51.3 | -90.2 | 0 | 0 | 0 | 114.6 | L676 Q677 | L676-N680 PolarHBondContact O-N 3.27Å; Q677-N680 PolarHBondContact O-N 2.9Å |
| 681 | L | 88 | Confident | 89.9 | Confident | 54 Ų | 54 | 64 Ų | 64 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -95.8 | -12.9 | 169.7 | -62.6 | -170.4 | 0 | 0 | 0 | 113 | K654 I657 L658 L676 H679 | K654-L681 HydrophobicContact CD-CD2 4.16Å; K654-L681 HydrophobicContact CG-CD1 4.14Å; K654-L681 HydrophobicContact CG-CD2 3.88Å; I657-L681 HydrophobicContact CB-CD1 3.92Å; I657-L681 HydrophobicContact CG2-CD1 3.58Å; I657-L681 HydrophobicContact CG2-CG 4.31Å; L658-L681 HydrophobicContact CB-CD1 4.46Å; L676-L681 HydrophobicContact CB-CB 4.38Å; L676-L681 HydrophobicContact CD2-CB 4.1Å; L676-L681 HydrophobicContact CD2-CD1 3.93Å; L676-L681 PolarHBondContact O-N 3.08Å; H679-L681 VanDerWaalsContact C-N 3.25Å; H679-L681 PolarHBondContact O-N 3.46Å |
| 682 | L | 88.8 | Confident | 89.8 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -131.9 | 149.4 | 163.6 | -69.9 | 174.8 | 0 | 0 | 0 | 108.4 | I673 L676 Q677 L691 W694 | I673-L682 HydrophobicContact CG2-CD1 4.17Å; L676-L682 HydrophobicContact CB-CB 4.44Å; L676-L682 HydrophobicContact CB-CD1 3.94Å; L676-L682 HydrophobicContact CB-CG 4.07Å; L676-L682 HydrophobicContact CD1-CD1 4.15Å; L676-L682 PolarHBondContact O-N 3.01Å; Q677-L682 WeakPolarHBondContact CA-O 3.16Å; Q677-L682 HydrophobicContact CG-CB 3.92Å; L682-L691 HydrophobicContact CD1-CD1 4.01Å; L682-W694 HydrophobicContact CD2-CB 4.35Å |
| 683 | D | 85.7 | Confident | 89.5 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | trans | -64.8 | 159.7 | -180 | -48.2 | -74.1 | 0 | 0 | 0 | 111.9 | Q677 P685 Y686 N687 S690 | Q677-D683 WeakPolarHBondContact CG-O 3.39Å; Q677-D683 PolarHBondContact NE2-O 3.39Å; D683-P685 VanDerWaalsContact C-C 3.41Å; D683-P685 CarbonylContact C-O 3.5Å; D683-P685 VanDerWaalsContact C-O 3.22Å; D683-P685 WeakPolarHBondContact CB-O 3.39Å; D683-P685 CarbonylContact O-C 3.43Å; D683-Y686 WeakPolarHBondContact O-CA 3.4Å; D683-Y686 PolarHBondContact O-N 2.96Å; D683-N687 WeakPolarHBondContact OD2-CB 3.44Å; D683-S690 PolarHBondContact OD2-OG 2.9Å; D683-S690 VanDerWaalsContact OD2-OG 3.14Å | ||
| 684 | T | 83.1 | Confident | 89.4 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 64% | 0.644 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -125.7 | 104 | 179 | -45.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 685 | P | 80.9 | Confident | 89.3 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 74% | 0.74 | 32% | 0.324 | S | S | * | . | S | Bend | cis | -65.2 | 159.7 | -6.4 | 31.5 | -37.1 | 0 | 0 | 0 | 112.3 | D683 | D683-P685 VanDerWaalsContact C-C 3.41Å; D683-P685 CarbonylContact C-O 3.5Å; D683-P685 VanDerWaalsContact C-O 3.22Å; D683-P685 WeakPolarHBondContact CB-O 3.39Å; D683-P685 CarbonylContact O-C 3.43Å |
| 686 | Y | 79.7 | Confident | 88.8 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 28% | 0.275 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 136.4 | -175.1 | 48.3 | -103.3 | 0 | 0 | 0 | 111.7 | I673 D683 L691 I718 | I673-Y686 HydrophobicContact CG2-CD1 3.63Å; I673-Y686 HydrophobicContact CG2-CE1 3.97Å; D683-Y686 WeakPolarHBondContact O-CA 3.4Å; D683-Y686 PolarHBondContact O-N 2.96Å; Y686-L691 HydrophobicContact CD1-CD2 4.48Å; Y686-L691 HydrophobicContact CD2-CB 4.39Å; Y686-L691 HydrophobicContact CD2-CD2 3.53Å; Y686-L691 HydrophobicContact CE2-CD2 3.63Å; Y686-L691 HydrophobicContact CG-CD2 4Å; Y686-I718 HydrophobicContact CE2-CD1 4.12Å |
| 687 | N | 87.6 | Confident | 88.2 | Confident | 74 Ų | 74 | 68.1 Ų | 68.1 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 137.1 | 163 | -176.7 | 4.8 | 0 | 0 | 0 | 108.8 | D683 D689 L691 | D683-N687 WeakPolarHBondContact OD2-CB 3.44Å; N687-D689 VanDerWaalsContact C-N 3.32Å; N687-D689 PolarHBondContact O-N 3.36Å; N687-D689 PolarHBondContact OD1-N 3.27Å; N687-L691 WeakPolarHBondContact O-CB 3.41Å; N687-L691 PolarHBondContact O-N 3.15Å |
| 688 | L | 89.6 | Confident | 87.8 | Confident | 60 Ų | 60 | 67 Ų | 67 | 31% | 0.314 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 179.3 | -71.1 | 171 | 0 | 0 | 0 | 111.1 | L691 V692 I718 A721 | L688-L691 PolarHBondContact O-N 3.22Å; L688-V692 WeakPolarHBondContact O-CB 3.37Å; L688-V692 VanDerWaalsContact O-CG2 3.3Å; L688-V692 WeakPolarHBondContact O-CG2 3.21Å; L688-V692 PolarHBondContact O-N 2.97Å; L688-I718 HydrophobicContact CD2-CG1 3.81Å; L688-A721 HydrophobicContact CB-CB 4.32Å |
| 689 | D | 88.5 | Confident | 87.1 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67 | -47.9 | -177.8 | -56.8 | -41.5 | 0 | 0 | 0 | 111.1 | N687 L691 V692 Q693 | N687-D689 VanDerWaalsContact C-N 3.32Å; N687-D689 PolarHBondContact O-N 3.36Å; N687-D689 PolarHBondContact OD1-N 3.27Å; D689-L691 VanDerWaalsContact C-N 3.31Å; D689-L691 PolarHBondContact O-N 2.95Å; D689-V692 PolarHBondContact O-N 3.44Å; D689-Q693 WeakPolarHBondContact O-CB 3.17Å; D689-Q693 PolarHBondContact O-N 3Å |
| 690 | S | 88.8 | Confident | 86.6 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 30% | 0.301 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.8 | -44.1 | 175 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | D683 W694 | D683-S690 PolarHBondContact OD2-OG 2.9Å; D683-S690 VanDerWaalsContact OD2-OG 3.14Å; S690-W694 WeakPolarHBondContact O-CB 3.37Å; S690-W694 PolarHBondContact O-N 2.68Å |
| 691 | L | 93 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 179.1 | 177.7 | 62.2 | 0 | 0 | 0 | 111.8 | I673 L682 Y686 N687 L688 D689 W694 L695 F709 I718 | I673-L691 HydrophobicContact CD1-CD1 3.93Å; I673-L691 HydrophobicContact CD1-CD2 4.33Å; I673-L691 HydrophobicContact CG1-CD1 4.04Å; L682-L691 HydrophobicContact CD1-CD1 4.01Å; Y686-L691 HydrophobicContact CD1-CD2 4.48Å; Y686-L691 HydrophobicContact CD2-CB 4.39Å; Y686-L691 HydrophobicContact CD2-CD2 3.53Å; Y686-L691 HydrophobicContact CE2-CD2 3.63Å; Y686-L691 HydrophobicContact CG-CD2 4Å; N687-L691 WeakPolarHBondContact O-CB 3.41Å; N687-L691 PolarHBondContact O-N 3.15Å; L688-L691 PolarHBondContact O-N 3.22Å; D689-L691 VanDerWaalsContact C-N 3.31Å; D689-L691 PolarHBondContact O-N 2.95Å; L691-W694 HydrophobicContact CD1-CE3 4.01Å; L691-W694 HydrophobicContact CD1-CZ3 4.42Å; L691-W694 PolarHBondContact O-N 3.29Å; L691-L695 HydrophobicContact CD1-CD1 4.41Å; L691-L695 HydrophobicContact CD1-CG 4.36Å; L691-L695 HydrophobicContact CG-CD1 4.17Å; L691-L695 WeakPolarHBondContact O-CB 3.5Å; L691-L695 VanDerWaalsContact O-CG 3.26Å; L691-L695 WeakPolarHBondContact O-CG 3.47Å; L691-L695 PolarHBondContact O-N 3.15Å; L691-F709 HydrophobicContact CD2-CE1 4.19Å; L691-F709 HydrophobicContact CD2-CZ 4.43Å; L691-I718 HydrophobicContact CD2-CD1 3.99Å; L691-I718 HydrophobicContact CD2-CG2 4.34Å |
| 692 | V | 92.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 178.2 | 161.1 | 0 | 0 | 0 | 0 | 111.6 | L688 D689 L695 R696 I718 A721 F722 S725 | L688-V692 WeakPolarHBondContact O-CB 3.37Å; L688-V692 VanDerWaalsContact O-CG2 3.3Å; L688-V692 WeakPolarHBondContact O-CG2 3.21Å; L688-V692 PolarHBondContact O-N 2.97Å; D689-V692 PolarHBondContact O-N 3.44Å; V692-L695 PolarHBondContact O-N 3.19Å; V692-R696 PolarHBondContact O-N 3.41Å; V692-R696 VanDerWaalsContact O-N 3.09Å; V692-I718 HydrophobicContact CG2-CG2 4.3Å; V692-A721 HydrophobicContact CG2-CB 3.92Å; V692-F722 HydrophobicContact CG1-CB 4.4Å; V692-F722 HydrophobicContact CG1-CD2 4.25Å; V692-F722 HydrophobicContact CG2-CB 4.08Å; V692-F722 HydrophobicContact CG2-CD2 4.49Å; V692-S725 WeakPolarHBondContact CG1-OG 3.3Å |
| 693 | Q | 88.3 | Confident | 86.4 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 175.4 | -174.6 | 171.3 | 5.1 | 0 | 0 | 110.6 | D689 L695 R696 E697 | D689-Q693 WeakPolarHBondContact O-CB 3.17Å; D689-Q693 PolarHBondContact O-N 3Å; Q693-L695 PolarHBondContact O-N 2.87Å; Q693-R696 PolarHBondContact O-N 3.41Å; Q693-R696 VanDerWaalsContact O-N 3.13Å; Q693-E697 HydrophobicContact CG-CG 4.16Å; Q693-E697 VanDerWaalsContact CG-OE1 3.28Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.5Å; Q693-E697 PolarHBondContact NE2-OE1 3.37Å; Q693-E697 WeakPolarHBondContact O-CB 3.47Å; Q693-E697 WeakPolarHBondContact O-CG 3.47Å; Q693-E697 PolarHBondContact O-N 3.32Å |
| 694 | W | 89.9 | Confident | 86.4 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 8% | 0.076 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.9 | 176.9 | 79 | 0 | 0 | 0 | 113.1 | F665 L676 L682 S690 L691 R696 N698 L701 | F665-W694 HydrophobicContact CB-CH2 4Å; F665-W694 AromaticContact CD2-CH2 3.63Å; F665-W694 HydrophobicContact CD2-CH2 3.63Å; F665-W694 AromaticContact CD2-CZ3 3.71Å; F665-W694 HydrophobicContact CD2-CZ3 3.71Å; F665-W694 HydrophobicContact CE2-CH2 4.25Å; F665-W694 AromaticContact CE2-CZ3 3.87Å; F665-W694 HydrophobicContact CE2-CZ3 3.87Å; F665-W694 AromaticContact CG-CH2 3.84Å; F665-W694 HydrophobicContact CG-CH2 3.84Å; F665-W694 HydrophobicContact CG-CZ3 4.3Å; L676-W694 HydrophobicContact CD1-CD2 4.35Å; L676-W694 HydrophobicContact CD1-CH2 3.89Å; L676-W694 HydrophobicContact CD1-CZ2 3.32Å; L682-W694 HydrophobicContact CD2-CB 4.35Å; S690-W694 WeakPolarHBondContact O-CB 3.37Å; S690-W694 PolarHBondContact O-N 2.68Å; L691-W694 HydrophobicContact CD1-CE3 4.01Å; L691-W694 HydrophobicContact CD1-CZ3 4.42Å; L691-W694 PolarHBondContact O-N 3.29Å; W694-R696 VanDerWaalsContact C-N 3.25Å; W694-R696 PolarHBondContact O-N 3.24Å; W694-N698 WeakPolarHBondContact CZ2-ND2 3.44Å; W694-N698 PolarHBondContact NE1-ND2 3.48Å; W694-N698 WeakPolarHBondContact O-CB 3.29Å; W694-N698 PolarHBondContact O-N 3.39Å; W694-N698 VanDerWaalsContact O-N 3.17Å; W694-L701 HydrophobicContact CD2-CD1 4.35Å; W694-L701 HydrophobicContact CE3-CD1 4.07Å; W694-L701 HydrophobicContact CH2-CD1 3.72Å; W694-L701 HydrophobicContact CH2-CD2 3.62Å; W694-L701 HydrophobicContact CH2-CG 4.3Å; W694-L701 HydrophobicContact CZ2-CD1 4Å; W694-L701 HydrophobicContact CZ2-CD2 3.74Å; W694-L701 HydrophobicContact CZ2-CG 4.36Å; W694-L701 HydrophobicContact CZ3-CD1 3.76Å; W694-L701 HydrophobicContact CZ3-CD2 4.45Å |
| 695 | L | 91.4 | Very high | 86.8 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -28.6 | 176.7 | -74 | 171.1 | 0 | 0 | 0 | 113.1 | F665 L691 V692 Q693 L701 I706 F709 I710 I718 F722 | F665-L695 HydrophobicContact CE1-CD2 4.38Å; F665-L695 HydrophobicContact CE2-CD2 3.83Å; F665-L695 HydrophobicContact CZ-CD2 3.56Å; L691-L695 HydrophobicContact CD1-CD1 4.41Å; L691-L695 HydrophobicContact CD1-CG 4.36Å; L691-L695 HydrophobicContact CG-CD1 4.17Å; L691-L695 WeakPolarHBondContact O-CB 3.5Å; L691-L695 VanDerWaalsContact O-CG 3.26Å; L691-L695 WeakPolarHBondContact O-CG 3.47Å; L691-L695 PolarHBondContact O-N 3.15Å; V692-L695 PolarHBondContact O-N 3.19Å; Q693-L695 PolarHBondContact O-N 2.87Å; L695-L701 HydrophobicContact CD2-CD1 4.01Å; L695-I706 HydrophobicContact CD2-CG1 4.31Å; L695-I706 HydrophobicContact CD2-CG2 4.45Å; L695-I706 WeakPolarHBondContact O-CD1 3.34Å; L695-F709 HydrophobicContact CD1-CD1 4.32Å; L695-F709 HydrophobicContact CD1-CE1 4.39Å; L695-I710 HydrophobicContact CD1-CG2 4.06Å; L695-I718 HydrophobicContact CD1-CG2 4.4Å; L695-F722 HydrophobicContact CB-CD2 4.41Å; L695-F722 HydrophobicContact CB-CE2 4.07Å |
| 696 | R | 85.3 | Confident | 87.3 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -91.1 | -38.5 | 179.8 | -74.9 | -178.2 | 61.6 | -151 | -1.5 | 114.1 | V692 Q693 W694 F722 S725 | V692-R696 PolarHBondContact O-N 3.41Å; V692-R696 VanDerWaalsContact O-N 3.09Å; Q693-R696 PolarHBondContact O-N 3.41Å; Q693-R696 VanDerWaalsContact O-N 3.13Å; W694-R696 VanDerWaalsContact C-N 3.25Å; W694-R696 PolarHBondContact O-N 3.24Å; R696-F722 HydrophobicContact CG-CD2 4.27Å; R696-F722 HydrophobicContact CG-CE2 3.55Å; R696-F722 HydrophobicContact CG-CZ 3.8Å; R696-S725 WeakPolarHBondContact CD-OG 3.41Å; R696-S725 VanDerWaalsContact NH1-CB 3.31Å; R696-S725 PolarHBondContact NH1-O 3.18Å; R696-S725 PolarHBondContact NH1-OG 2.89Å |
| 697 | E | 80.1 | Confident | 87.8 | Confident | 84 Ų | 84 | 50.1 Ų | 50.1 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -79 | -29.5 | -176.9 | -69.9 | -178.8 | 177.6 | 0 | 0 | 112.9 | Q693 S699 | Q693-E697 HydrophobicContact CG-CG 4.16Å; Q693-E697 VanDerWaalsContact CG-OE1 3.28Å; Q693-E697 WeakPolarHBondContact CG-OE1 3.5Å; Q693-E697 PolarHBondContact NE2-OE1 3.37Å; Q693-E697 WeakPolarHBondContact O-CB 3.47Å; Q693-E697 WeakPolarHBondContact O-CG 3.47Å; Q693-E697 PolarHBondContact O-N 3.32Å; E697-S699 PolarHBondContact O-N 2.91Å |
| 698 | N | 85.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -81.6 | 89.4 | -172 | -172.5 | -0.5 | 0 | 0 | 0 | 113 | Y522 S662 W694 R700 L701 | Y522-N698 HydrophobicContact CE1-CB 3.78Å; S662-N698 PolarHBondContact OG-ND2 3.08Å; W694-N698 WeakPolarHBondContact CZ2-ND2 3.44Å; W694-N698 PolarHBondContact NE1-ND2 3.48Å; W694-N698 WeakPolarHBondContact O-CB 3.29Å; W694-N698 PolarHBondContact O-N 3.39Å; W694-N698 VanDerWaalsContact O-N 3.17Å; N698-R700 PolarHBondContact O-N 2.9Å; N698-R700 WeakPolarHBondContact OD1-CB 3.23Å; N698-R700 PolarHBondContact OD1-N 3.4Å; N698-L701 HydrophobicContact CB-CD1 3.92Å; N698-L701 HydrophobicContact CB-CG 3.89Å; N698-L701 WeakPolarHBondContact O-CB 3.09Å; N698-L701 PolarHBondContact O-N 3.35Å | ||
| 699 | S | 79.1 | Confident | 88 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 52% | 0.524 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -4.9 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 115.6 | E697 | E697-S699 PolarHBondContact O-N 2.91Š|
| 700 | R | 82.4 | Confident | 88.2 | Confident | 83 Ų | 83 | 42.7 Ų | 42.7 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -5.7 | 173.6 | -60.9 | -177.6 | 173.7 | -136.3 | -2.4 | 113 | C523 N666 N698 | C523-R700 PolarHBondContact O-NH2 2.98Å; N666-R700 PolarHBondContact ND2-O 3.34Å; N698-R700 PolarHBondContact O-N 2.9Å; N698-R700 WeakPolarHBondContact OD1-CB 3.23Å; N698-R700 PolarHBondContact OD1-N 3.4Å |
| 701 | L | 88.7 | Confident | 88.2 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -79.6 | 136.5 | 174.6 | -59.9 | -178.4 | 0 | 0 | 0 | 111.4 | F665 N666 W694 L695 N698 K703 I706 | F665-L701 HydrophobicContact CB-CD2 4.11Å; F665-L701 HydrophobicContact CD1-CD2 3.78Å; F665-L701 HydrophobicContact CE1-CD2 4.46Å; F665-L701 HydrophobicContact CG-CD2 4.05Å; N666-L701 WeakPolarHBondContact OD1-CA 3.46Å; W694-L701 HydrophobicContact CD2-CD1 4.35Å; W694-L701 HydrophobicContact CE3-CD1 4.07Å; W694-L701 HydrophobicContact CH2-CD1 3.72Å; W694-L701 HydrophobicContact CH2-CD2 3.62Å; W694-L701 HydrophobicContact CH2-CG 4.3Å; W694-L701 HydrophobicContact CZ2-CD1 4Å; W694-L701 HydrophobicContact CZ2-CD2 3.74Å; W694-L701 HydrophobicContact CZ2-CG 4.36Å; W694-L701 HydrophobicContact CZ3-CD1 3.76Å; W694-L701 HydrophobicContact CZ3-CD2 4.45Å; L695-L701 HydrophobicContact CD2-CD1 4.01Å; N698-L701 HydrophobicContact CB-CD1 3.92Å; N698-L701 HydrophobicContact CB-CG 3.89Å; N698-L701 WeakPolarHBondContact O-CB 3.09Å; N698-L701 PolarHBondContact O-N 3.35Å; L701-K703 PolarHBondContact O-N 3.32Å; L701-I706 HydrophobicContact CB-CD1 3.93Å; L701-I706 HydrophobicContact CB-CG1 4.12Å; L701-I706 HydrophobicContact CD1-CD1 4.45Å; L701-I706 HydrophobicContact CD1-CG1 4.46Å |
| 702 | N | 86.9 | Confident | 88 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | trans | -71.5 | 122.7 | 174.6 | 172.2 | -103.6 | 0 | 0 | 0 | 109.7 | N666 R704 K705 I706 E843 | N666-N702 HydrophobicContact CB-CB 4.48Å; N666-N702 WeakPolarHBondContact OD1-CB 3.3Å; N666-N702 PolarHBondContact OD1-N 2.94Å; N702-R704 VanDerWaalsContact C-N 3.27Å; N702-R704 PolarHBondContact O-N 2.91Å; N702-R704 WeakPolarHBondContact OD1-CB 3.46Å; N702-K705 HydrophobicContact CB-CB 4.15Å; N702-K705 HydrophobicContact CB-CG 4.12Å; N702-K705 WeakPolarHBondContact O-CA 3.45Å; N702-K705 WeakPolarHBondContact O-CB 3.38Å; N702-K705 PolarHBondContact O-N 3.29Å; N702-K705 VanDerWaalsContact OD1-CG 3.25Å; N702-K705 WeakPolarHBondContact OD1-CG 3.32Å; N702-K705 PolarHBondContact OD1-N 3.17Å; N702-I706 PolarHBondContact O-N 2.98Å; N702-I706 VanDerWaalsContact O-N 3.07Å; N702-E843 PolarHBondContact ND2-OE1 3.01Å; N702-E843 PolarHBondContact ND2-OE2 3.1Å | ||
| 703 | K | 87.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -30.3 | -170.6 | -66.5 | -169.5 | 179.5 | -173.9 | 0 | 112.2 | L701 A707 E742 R745 P842 E843 Y853 | L701-K703 PolarHBondContact O-N 3.32Å; K703-A707 PolarHBondContact O-N 3.46Å; K703-E742 WeakPolarHBondContact CE-O 3.33Å; K703-E742 PolarHBondContact NZ-O 2.99Å; K703-R745 HydrophobicContact CB-CB 4.24Å; K703-R745 PolarHBondContact O-N 2.59Å; K703-P842 HydrophobicContact CD-CG 4.4Å; K703-E843 HydrophobicContact CB-CG 4.46Å; K703-E843 PolarHBondContact N-OE1 3.08Å; K703-Y853 PolarHBondContact NZ-OH 3.34Å |
| 704 | R | 86.9 | Confident | 87.5 | Confident | 121 Ų | 121 | 59 Ų | 59 | 46% | 0.457 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 167.1 | -178.4 | -167.5 | 171.6 | 132.8 | 12.7 | 113 | N702 A707 E708 R745 E843 | N702-R704 VanDerWaalsContact C-N 3.27Å; N702-R704 PolarHBondContact O-N 2.91Å; N702-R704 WeakPolarHBondContact OD1-CB 3.46Å; R704-A707 WeakPolarHBondContact O-CB 3.5Å; R704-A707 PolarHBondContact O-N 3.44Å; R704-E708 HydrophobicContact CG-CG 4.47Å; R704-E708 IonicContact CZ-OE1 3.12Å; R704-E708 IonicContact NE-OE1 3.5Å; R704-E708 PolarHBondContact NE-OE1 2.8Å; R704-E708 IonicContact NH2-OE1 3.54Å; R704-E708 PolarHBondContact NH2-OE1 2.96Å; R704-E708 WeakPolarHBondContact O-CG 3.47Å; R704-E708 PolarHBondContact O-N 3.03Å; R704-R745 HydrophobicContact CB-CB 4.34Å; R704-E843 WeakPolarHBondContact CB-OE2 3.17Å; R704-E843 PolarHBondContact N-OE2 3.47Å |
| 705 | K | 90.7 | Very high | 87.5 | Confident | 49 Ų | 49 | 59 Ų | 59 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.4 | -32.4 | 178.8 | -72.5 | -77 | 167.4 | -153 | 0 | 113.3 | F665 N666 P669 N702 E708 F709 | F665-K705 HydrophobicContact CD1-CB 4.32Å; F665-K705 HydrophobicContact CE1-CB 3.97Å; N666-K705 WeakPolarHBondContact O-CD 3.42Å; N666-K705 VanDerWaalsContact O-CE 3.31Å; N666-K705 WeakPolarHBondContact O-CE 3.24Å; N666-K705 WeakPolarHBondContact O-CG 3.44Å; P669-K705 HydrophobicContact CG-CD 4.34Å; N702-K705 HydrophobicContact CB-CB 4.15Å; N702-K705 HydrophobicContact CB-CG 4.12Å; N702-K705 WeakPolarHBondContact O-CA 3.45Å; N702-K705 WeakPolarHBondContact O-CB 3.38Å; N702-K705 PolarHBondContact O-N 3.29Å; N702-K705 VanDerWaalsContact OD1-CG 3.25Å; N702-K705 WeakPolarHBondContact OD1-CG 3.32Å; N702-K705 PolarHBondContact OD1-N 3.17Å; K705-E708 WeakPolarHBondContact CE-OE2 3.27Å; K705-E708 IonicContact NZ-OE2 3.54Å; K705-E708 PolarHBondContact NZ-OE2 3Å; K705-F709 WeakPolarHBondContact O-CB 3.48Å; K705-F709 PolarHBondContact O-N 2.77Å; K705-F709 VanDerWaalsContact O-N 3.16Å |
| 706 | I | 91.7 | Very high | 87.3 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.9 | -49.9 | 168.8 | -60.8 | 171.7 | 0 | 0 | 0 | 109.5 | F665 L695 L701 N702 F709 I710 F722 F744 | F665-I706 HydrophobicContact CE1-CG1 4.25Å; L695-I706 HydrophobicContact CD2-CG1 4.31Å; L695-I706 HydrophobicContact CD2-CG2 4.45Å; L695-I706 WeakPolarHBondContact O-CD1 3.34Å; L701-I706 HydrophobicContact CB-CD1 3.93Å; L701-I706 HydrophobicContact CB-CG1 4.12Å; L701-I706 HydrophobicContact CD1-CD1 4.45Å; L701-I706 HydrophobicContact CD1-CG1 4.46Å; N702-I706 PolarHBondContact O-N 2.98Å; N702-I706 VanDerWaalsContact O-N 3.07Å; I706-F709 WeakPolarHBondContact O-CB 3.4Å; I706-F709 PolarHBondContact O-N 3.5Å; I706-F709 VanDerWaalsContact O-N 3.16Å; I706-I710 HydrophobicContact CG2-CD1 4.37Å; I706-I710 HydrophobicContact CG2-CG2 4.38Å; I706-I710 PolarHBondContact O-N 2.94Å; I706-F722 HydrophobicContact CG2-CE2 4.28Å; I706-F722 HydrophobicContact CG2-CZ 4.46Å; I706-F744 HydrophobicContact CB-CB 4.13Å; I706-F744 HydrophobicContact CG2-CB 3.87Å |
| 707 | A | 89.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -52.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | K703 R704 F709 I710 V711 F744 R745 | K703-A707 PolarHBondContact O-N 3.46Å; R704-A707 WeakPolarHBondContact O-CB 3.5Å; R704-A707 PolarHBondContact O-N 3.44Å; A707-F709 PolarHBondContact O-N 2.86Å; A707-I710 PolarHBondContact O-N 2.93Å; A707-V711 VanDerWaalsContact O-CB 3.23Å; A707-V711 WeakPolarHBondContact O-CB 3.3Å; A707-V711 VanDerWaalsContact O-CG2 3.25Å; A707-V711 WeakPolarHBondContact O-CG2 3.31Å; A707-V711 PolarHBondContact O-N 3.04Å; A707-F744 HydrophobicContact CB-CB 4.37Å; A707-F744 HydrophobicContact CB-CD2 3.91Å; A707-R745 WeakPolarHBondContact CB-O 3.39Å |
| 708 | E | 89.8 | Confident | 88.2 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.1 | -23.9 | 175.8 | -72.3 | 176.9 | -178.9 | 0 | 0 | 112.8 | R704 K705 | R704-E708 HydrophobicContact CG-CG 4.47Å; R704-E708 IonicContact CZ-OE1 3.12Å; R704-E708 IonicContact NE-OE1 3.5Å; R704-E708 PolarHBondContact NE-OE1 2.8Å; R704-E708 IonicContact NH2-OE1 3.54Å; R704-E708 PolarHBondContact NH2-OE1 2.96Å; R704-E708 WeakPolarHBondContact O-CG 3.47Å; R704-E708 PolarHBondContact O-N 3.03Å; K705-E708 WeakPolarHBondContact CE-OE2 3.27Å; K705-E708 IonicContact NZ-OE2 3.54Å; K705-E708 PolarHBondContact NZ-OE2 3Å |
| 709 | F | 92.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -86.7 | -54.2 | 175.2 | -178.9 | -106.7 | 0 | 0 | 0 | 113.4 | F665 P669 L670 I673 L691 L695 K705 I706 A707 V711 N712 N715 I718 | F665-F709 HydrophobicContact CE2-CD1 4.42Å; F665-F709 HydrophobicContact CE2-CG 4.41Å; F665-F709 HydrophobicContact CZ-CB 4.19Å; F665-F709 HydrophobicContact CZ-CD1 4.44Å; F665-F709 HydrophobicContact CZ-CG 4.36Å; P669-F709 HydrophobicContact CB-CB 3.97Å; P669-F709 HydrophobicContact CB-CD2 3.6Å; P669-F709 HydrophobicContact CB-CE2 4.39Å; P669-F709 HydrophobicContact CB-CG 3.95Å; P669-F709 HydrophobicContact CG-CB 4.14Å; L670-F709 HydrophobicContact CD2-CE2 3.91Å; I673-F709 HydrophobicContact CD1-CE1 3.76Å; I673-F709 HydrophobicContact CD1-CE2 3.73Å; I673-F709 HydrophobicContact CD1-CZ 3.28Å; L691-F709 HydrophobicContact CD2-CE1 4.19Å; L691-F709 HydrophobicContact CD2-CZ 4.43Å; L695-F709 HydrophobicContact CD1-CD1 4.32Å; L695-F709 HydrophobicContact CD1-CE1 4.39Å; K705-F709 WeakPolarHBondContact O-CB 3.48Å; K705-F709 PolarHBondContact O-N 2.77Å; K705-F709 VanDerWaalsContact O-N 3.16Å; I706-F709 WeakPolarHBondContact O-CB 3.4Å; I706-F709 PolarHBondContact O-N 3.5Å; I706-F709 VanDerWaalsContact O-N 3.16Å; A707-F709 PolarHBondContact O-N 2.86Å; F709-V711 VanDerWaalsContact C-N 3.34Å; F709-V711 PolarHBondContact O-N 3.1Å; F709-N712 WeakPolarHBondContact O-CB 3.44Å; F709-N712 PolarHBondContact O-N 3.26Å; F709-N715 WeakPolarHBondContact CD2-ND2 3.45Å; F709-N715 WeakPolarHBondContact CE2-ND2 3.11Å; F709-N715 PolarHBondContact O-ND2 3.01Å; F709-I718 HydrophobicContact CE1-CD1 3.74Å; F709-I718 HydrophobicContact CE1-CG2 4.31Å; F709-I718 HydrophobicContact CZ-CD1 3.7Å |
| 710 | I | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.6 | -29.8 | -174.5 | 67.3 | -178.7 | 0 | 0 | 0 | 112.8 | L695 I706 A707 N712 I718 L719 F722 F744 | L695-I710 HydrophobicContact CD1-CG2 4.06Å; I706-I710 HydrophobicContact CG2-CD1 4.37Å; I706-I710 HydrophobicContact CG2-CG2 4.38Å; I706-I710 PolarHBondContact O-N 2.94Å; A707-I710 PolarHBondContact O-N 2.93Å; I710-N712 VanDerWaalsContact C-N 3.28Å; I710-N712 PolarHBondContact O-N 2.83Å; I710-I718 HydrophobicContact CG2-CG2 4.2Å; I710-L719 HydrophobicContact CD1-CD1 4.12Å; I710-L719 HydrophobicContact CG1-CD1 4.26Å; I710-F722 HydrophobicContact CD1-CD1 3.94Å; I710-F722 HydrophobicContact CD1-CD2 4.5Å; I710-F722 HydrophobicContact CD1-CE1 4.13Å; I710-F722 HydrophobicContact CD1-CG 4.15Å; I710-F722 HydrophobicContact CD1-CZ 4.47Å; I710-F722 HydrophobicContact CG2-CD2 4.49Å; I710-F744 HydrophobicContact CD1-CD1 4.18Å; I710-F744 HydrophobicContact CD1-CG 4.23Å |
| 711 | V | 89 | Confident | 89.5 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.1 | -179.1 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | A707 F709 R713 P747 E752 M755 V756 | A707-V711 VanDerWaalsContact O-CB 3.23Å; A707-V711 WeakPolarHBondContact O-CB 3.3Å; A707-V711 VanDerWaalsContact O-CG2 3.25Å; A707-V711 WeakPolarHBondContact O-CG2 3.31Å; A707-V711 PolarHBondContact O-N 3.04Å; F709-V711 VanDerWaalsContact C-N 3.34Å; F709-V711 PolarHBondContact O-N 3.1Å; V711-R713 PolarHBondContact O-N 2.71Å; V711-P747 HydrophobicContact CB-CG 4.47Å; V711-P747 HydrophobicContact CG1-CG 4.16Å; V711-P747 HydrophobicContact CG2-CG 3.79Å; V711-E752 HydrophobicContact CG1-CB 3.67Å; V711-E752 HydrophobicContact CG1-CG 3.65Å; V711-M755 HydrophobicContact CB-CE 4.46Å; V711-M755 HydrophobicContact CG1-CE 3.87Å; V711-M755 WeakPolarHBondContact O-CE 3.35Å; V711-V756 HydrophobicContact CG2-CG2 3.58Å |
| 712 | N | 88.8 | Confident | 89.7 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -60.3 | 130.3 | 178.2 | -164 | -64.4 | 0 | 0 | 0 | 110.9 | F709 I710 K714 N715 | F709-N712 WeakPolarHBondContact O-CB 3.44Å; F709-N712 PolarHBondContact O-N 3.26Å; I710-N712 VanDerWaalsContact C-N 3.28Å; I710-N712 PolarHBondContact O-N 2.83Å; N712-K714 PolarHBondContact O-N 2.87Å; N712-K714 PolarHBondContact OD1-N 3.26Å; N712-K714 VanDerWaalsContact OD1-N 3.14Å; N712-N715 HydrophobicContact CB-CB 4.36Å; N712-N715 WeakPolarHBondContact O-CA 3.46Å; N712-N715 WeakPolarHBondContact O-CB 3.42Å; N712-N715 PolarHBondContact O-N 2.92Å |
| 713 | R | 83.5 | Confident | 90 | Very high | 230 Ų | 230 | 52.1 Ų | 52.1 | 87% | 0.868 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -56.2 | -21.3 | -178.4 | -64.4 | -174.1 | -176.7 | -173.3 | 1.4 | 114.6 | V711 N715 | V711-R713 PolarHBondContact O-N 2.71Å; R713-N715 VanDerWaalsContact C-N 3.28Å |
| 714 | K | 86.8 | Confident | 90.3 | Very high | 188 Ų | 188 | 57.1 Ų | 57.1 | 82% | 0.817 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -74.4 | -17.4 | 173.9 | -63.7 | -177.7 | 178.3 | -177.5 | 0 | 113.7 | N712 | N712-K714 PolarHBondContact O-N 2.87Å; N712-K714 PolarHBondContact OD1-N 3.26Å; N712-K714 VanDerWaalsContact OD1-N 3.14Å |
| 715 | N | 89.6 | Confident | 90.5 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -113 | 19.8 | -168.1 | -65.7 | -4.8 | 0 | 0 | 0 | 112.7 | F709 N712 R713 S717 I718 L719 | F709-N715 WeakPolarHBondContact CD2-ND2 3.45Å; F709-N715 WeakPolarHBondContact CE2-ND2 3.11Å; F709-N715 PolarHBondContact O-ND2 3.01Å; N712-N715 HydrophobicContact CB-CB 4.36Å; N712-N715 WeakPolarHBondContact O-CA 3.46Å; N712-N715 WeakPolarHBondContact O-CB 3.42Å; N712-N715 PolarHBondContact O-N 2.92Å; R713-N715 VanDerWaalsContact C-N 3.28Å; N715-S717 PolarHBondContact O-N 3.38Å; N715-S717 VanDerWaalsContact O-N 3.13Å; N715-I718 HydrophobicContact CB-CB 4.33Å; N715-I718 HydrophobicContact CB-CD1 3.91Å; N715-I718 HydrophobicContact CB-CG1 4.16Å; N715-I718 WeakPolarHBondContact O-CA 3.43Å; N715-I718 VanDerWaalsContact O-CB 3.29Å; N715-I718 WeakPolarHBondContact O-CB 3.45Å; N715-I718 PolarHBondContact O-N 2.71Å; N715-L719 PolarHBondContact O-N 3.22Å |
| 716 | K | 87.3 | Confident | 90.5 | Very high | 114 Ų | 114 | 51.6 Ų | 51.6 | 50% | 0.496 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.1 | -40.3 | -174.8 | -170 | -174.4 | 178.1 | -174 | 0 | 113.2 | I718 L719 E720 H759 | K716-I718 VanDerWaalsContact C-N 3.27Å; K716-I718 PolarHBondContact O-N 2.85Å; K716-L719 WeakPolarHBondContact O-CB 3.36Å; K716-L719 PolarHBondContact O-N 3.46Å; K716-E720 PolarHBondContact O-N 3.22Å; K716-H759 WeakPolarHBondContact CE-NE2 3.35Å |
| 717 | S | 90.4 | Very high | 90.4 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 44% | 0.441 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -30.3 | 176 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | N715 A721 | N715-S717 PolarHBondContact O-N 3.38Å; N715-S717 VanDerWaalsContact O-N 3.13Å; S717-A721 WeakPolarHBondContact O-CB 3.27Å; S717-A721 PolarHBondContact O-N 3.41Å |
| 718 | I | 92.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.8 | -42 | 173.9 | -47 | -176.6 | 0 | 0 | 0 | 109.8 | Y686 L688 L691 V692 L695 F709 I710 N715 K716 F722 | Y686-I718 HydrophobicContact CE2-CD1 4.12Å; L688-I718 HydrophobicContact CD2-CG1 3.81Å; L691-I718 HydrophobicContact CD2-CD1 3.99Å; L691-I718 HydrophobicContact CD2-CG2 4.34Å; V692-I718 HydrophobicContact CG2-CG2 4.3Å; L695-I718 HydrophobicContact CD1-CG2 4.4Å; F709-I718 HydrophobicContact CE1-CD1 3.74Å; F709-I718 HydrophobicContact CE1-CG2 4.31Å; F709-I718 HydrophobicContact CZ-CD1 3.7Å; I710-I718 HydrophobicContact CG2-CG2 4.2Å; N715-I718 HydrophobicContact CB-CB 4.33Å; N715-I718 HydrophobicContact CB-CD1 3.91Å; N715-I718 HydrophobicContact CB-CG1 4.16Å; N715-I718 WeakPolarHBondContact O-CA 3.43Å; N715-I718 VanDerWaalsContact O-CB 3.29Å; N715-I718 WeakPolarHBondContact O-CB 3.45Å; N715-I718 PolarHBondContact O-N 2.71Å; K716-I718 VanDerWaalsContact C-N 3.27Å; K716-I718 PolarHBondContact O-N 2.85Å; I718-F722 WeakPolarHBondContact O-CB 3.41Å; I718-F722 PolarHBondContact O-N 3.39Å |
| 719 | L | 92 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 173.7 | 178.6 | 62 | 0 | 0 | 0 | 111.7 | I710 N715 K716 F722 V723 M755 V756 | I710-L719 HydrophobicContact CD1-CD1 4.12Å; I710-L719 HydrophobicContact CG1-CD1 4.26Å; N715-L719 PolarHBondContact O-N 3.22Å; K716-L719 WeakPolarHBondContact O-CB 3.36Å; K716-L719 PolarHBondContact O-N 3.46Å; L719-F722 PolarHBondContact O-N 3.21Å; L719-V723 HydrophobicContact CD1-CG2 4.28Å; L719-V723 WeakPolarHBondContact O-CG2 3.36Å; L719-V723 PolarHBondContact O-N 2.99Å; L719-M755 HydrophobicContact CD2-CE 3.98Å; L719-M755 HydrophobicContact CD2-CG 4.39Å; L719-V756 HydrophobicContact CD1-CG2 4.34Å; L719-V756 HydrophobicContact CD2-CG2 4.39Å |
| 720 | E | 91.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | -179.9 | -161.3 | -176.6 | 143.8 | 0 | 0 | 111.9 | K716 R724 | K716-E720 PolarHBondContact O-N 3.22Å; E720-R724 WeakPolarHBondContact O-CB 3.34Å; E720-R724 WeakPolarHBondContact O-CG 3.23Å; E720-R724 PolarHBondContact O-N 2.91Å; E720-R724 VanDerWaalsContact O-N 3.1Å; E720-R724 IonicContact OE1-CZ 2.72Å; E720-R724 IonicContact OE1-NH1 2.59Å; E720-R724 PolarHBondContact OE1-NH1 2.85Å; E720-R724 IonicContact OE1-NH2 2.74Å; E720-R724 PolarHBondContact OE1-NH2 2.98Å |
| 721 | A | 92.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L688 V692 S717 V723 R724 S725 | L688-A721 HydrophobicContact CB-CB 4.32Å; V692-A721 HydrophobicContact CG2-CB 3.92Å; S717-A721 WeakPolarHBondContact O-CB 3.27Å; S717-A721 PolarHBondContact O-N 3.41Å; A721-V723 PolarHBondContact O-N 3.13Å; A721-R724 PolarHBondContact O-N 3.07Å; A721-S725 PolarHBondContact O-N 3.29Å |
| 722 | F | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 178.2 | -171.4 | -85.8 | 0 | 0 | 0 | 111.3 | V692 L695 R696 I706 I710 I718 L719 S725 F726 F740 S743 F744 | V692-F722 HydrophobicContact CG1-CB 4.4Å; V692-F722 HydrophobicContact CG1-CD2 4.25Å; V692-F722 HydrophobicContact CG2-CB 4.08Å; V692-F722 HydrophobicContact CG2-CD2 4.49Å; L695-F722 HydrophobicContact CB-CD2 4.41Å; L695-F722 HydrophobicContact CB-CE2 4.07Å; R696-F722 HydrophobicContact CG-CD2 4.27Å; R696-F722 HydrophobicContact CG-CE2 3.55Å; R696-F722 HydrophobicContact CG-CZ 3.8Å; I706-F722 HydrophobicContact CG2-CE2 4.28Å; I706-F722 HydrophobicContact CG2-CZ 4.46Å; I710-F722 HydrophobicContact CD1-CD1 3.94Å; I710-F722 HydrophobicContact CD1-CD2 4.5Å; I710-F722 HydrophobicContact CD1-CE1 4.13Å; I710-F722 HydrophobicContact CD1-CG 4.15Å; I710-F722 HydrophobicContact CD1-CZ 4.47Å; I710-F722 HydrophobicContact CG2-CD2 4.49Å; I718-F722 WeakPolarHBondContact O-CB 3.41Å; I718-F722 PolarHBondContact O-N 3.39Å; L719-F722 PolarHBondContact O-N 3.21Å; F722-S725 PolarHBondContact O-N 3.5Å; F722-S725 PolarHBondContact O-OG 2.88Å; F722-F726 HydrophobicContact CD1-CE2 4.07Å; F722-F726 AromaticContact CE1-CE2 3.78Å; F722-F726 HydrophobicContact CE1-CE2 3.78Å; F722-F726 HydrophobicContact CE1-CZ 4.18Å; F722-F726 HydrophobicContact CZ-CE2 4.41Å; F722-F726 VanDerWaalsContact O-CD2 3.29Å; F722-F726 WeakPolarHBondContact O-CD2 3.41Å; F722-F726 WeakPolarHBondContact O-CE2 3.39Å; F722-F740 HydrophobicContact CD1-CE2 4.11Å; F722-F740 HydrophobicContact CE1-CE2 4.2Å; F722-S743 WeakPolarHBondContact CE1-OG 3.43Å; F722-S743 WeakPolarHBondContact CZ-OG 3.43Å; F722-F744 AromaticContact CE1-CD1 3.58Å; F722-F744 HydrophobicContact CE1-CD1 3.58Å; F722-F744 AromaticContact CE1-CE1 3.91Å; F722-F744 HydrophobicContact CE1-CE1 3.91Å; F722-F744 HydrophobicContact CZ-CD1 4Å |
| 723 | V | 93.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L719 A721 S725 F726 F740 H759 H763 | L719-V723 HydrophobicContact CD1-CG2 4.28Å; L719-V723 WeakPolarHBondContact O-CG2 3.36Å; L719-V723 PolarHBondContact O-N 2.99Å; A721-V723 PolarHBondContact O-N 3.13Å; V723-S725 PolarHBondContact O-N 2.82Å; V723-S725 VanDerWaalsContact O-N 3.12Å; V723-F726 PolarHBondContact O-N 2.87Å; V723-F726 VanDerWaalsContact O-N 3.14Å; V723-F740 HydrophobicContact CB-CE2 4.4Å; V723-F740 HydrophobicContact CG2-CE2 3.68Å; V723-F740 HydrophobicContact CG2-CZ 3.64Å; V723-H759 HydrophobicContact CG2-CB 4.02Å; V723-H763 HydrophobicContact CG1-CB 3.51Å; V723-H763 PolarHBondContact O-CD2 3.07Å; V723-H763 VanDerWaalsContact O-CD2 3.28Å |
| 724 | R | 92.3 | Very high | 91.7 | Very high | 151 Ų | 151 | 48.9 Ų | 48.9 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60 | -24.1 | -179.4 | -80.5 | -171.7 | -176.7 | 117.5 | 14.9 | 114.5 | E720 A721 F726 | E720-R724 WeakPolarHBondContact O-CB 3.34Å; E720-R724 WeakPolarHBondContact O-CG 3.23Å; E720-R724 PolarHBondContact O-N 2.91Å; E720-R724 VanDerWaalsContact O-N 3.1Å; E720-R724 IonicContact OE1-CZ 2.72Å; E720-R724 IonicContact OE1-NH1 2.59Å; E720-R724 PolarHBondContact OE1-NH1 2.85Å; E720-R724 IonicContact OE1-NH2 2.74Å; E720-R724 PolarHBondContact OE1-NH2 2.98Å; A721-R724 PolarHBondContact O-N 3.07Å; R724-F726 PolarHBondContact O-N 3.4Å |
| 725 | S | 91.3 | Very high | 92 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -11.8 | 179 | 76.7 | 0 | 0 | 0 | 0 | 114.2 | V692 R696 A721 F722 V723 | V692-S725 WeakPolarHBondContact CG1-OG 3.3Å; R696-S725 WeakPolarHBondContact CD-OG 3.41Å; R696-S725 VanDerWaalsContact NH1-CB 3.31Å; R696-S725 PolarHBondContact NH1-O 3.18Å; R696-S725 PolarHBondContact NH1-OG 2.89Å; A721-S725 PolarHBondContact O-N 3.29Å; F722-S725 PolarHBondContact O-N 3.5Å; F722-S725 PolarHBondContact O-OG 2.88Å; V723-S725 PolarHBondContact O-N 2.82Å; V723-S725 VanDerWaalsContact O-N 3.12Å |
| 726 | F | 91.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.4 | 128.9 | 174.6 | -67.9 | -99.7 | 0 | 0 | 0 | 110.9 | F722 V723 R724 F728 Q739 F740 S743 H763 | F722-F726 HydrophobicContact CD1-CE2 4.07Å; F722-F726 AromaticContact CE1-CE2 3.78Å; F722-F726 HydrophobicContact CE1-CE2 3.78Å; F722-F726 HydrophobicContact CE1-CZ 4.18Å; F722-F726 HydrophobicContact CZ-CE2 4.41Å; F722-F726 VanDerWaalsContact O-CD2 3.29Å; F722-F726 WeakPolarHBondContact O-CD2 3.41Å; F722-F726 WeakPolarHBondContact O-CE2 3.39Å; V723-F726 PolarHBondContact O-N 2.87Å; V723-F726 VanDerWaalsContact O-N 3.14Å; R724-F726 PolarHBondContact O-N 3.4Å; F726-F728 HydrophobicContact CB-CD1 4.03Å; F726-F728 HydrophobicContact CB-CE1 3.46Å; F726-F728 VanDerWaalsContact CB-CE1 3.46Å; F726-F728 HydrophobicContact CB-CE2 4.02Å; F726-F728 HydrophobicContact CB-CZ 3.44Å; F726-F728 VanDerWaalsContact CB-CZ 3.44Å; F726-F728 HydrophobicContact CD1-CE1 4.11Å; F726-F728 HydrophobicContact CD1-CZ 4.31Å; F726-F728 HydrophobicContact CG-CE1 4.03Å; F726-F728 AromaticContact CG-CZ 3.9Å; F726-F728 HydrophobicContact CG-CZ 3.9Å; F726-Q739 WeakPolarHBondContact CE1-O 3.31Å; F726-F740 AromaticContact CD2-CD2 4Å; F726-F740 HydrophobicContact CD2-CD2 4Å; F726-F740 HydrophobicContact CD2-CE2 4.49Å; F726-F740 AromaticContact CE2-CD2 3.78Å; F726-F740 HydrophobicContact CE2-CD2 3.78Å; F726-F740 HydrophobicContact CE2-CE2 4.2Å; F726-F740 HydrophobicContact CZ-CD2 4.1Å; F726-S743 WeakPolarHBondContact CZ-OG 3.39Å; F726-H763 PolarHBondContact O-NE2 3.24Å |
| 727 | D | 90.7 | Very high | 92.4 | Very high | 122 Ų | 122 | 37 Ų | 37 | 65% | 0.652 | 22% | 0.216 | S | C | * | . | trans | -80.9 | 117.3 | 165.4 | -173.7 | 3.3 | 0 | 0 | 0 | 109.2 | A729 | D727-A729 VanDerWaalsContact OD1-CB 3.28Å; D727-A729 WeakPolarHBondContact OD1-CB 3.44Å; D727-A729 PolarHBondContact OD1-N 2.86Å | ||
| 728 | F | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -113.3 | 7.4 | 176.3 | -64.1 | -34.7 | 0 | 0 | 0 | 112.6 | F726 G730 V731 A736 F740 F760 H763 W764 N768 | F726-F728 HydrophobicContact CB-CD1 4.03Å; F726-F728 HydrophobicContact CB-CE1 3.46Å; F726-F728 VanDerWaalsContact CB-CE1 3.46Å; F726-F728 HydrophobicContact CB-CE2 4.02Å; F726-F728 HydrophobicContact CB-CZ 3.44Å; F726-F728 VanDerWaalsContact CB-CZ 3.44Å; F726-F728 HydrophobicContact CD1-CE1 4.11Å; F726-F728 HydrophobicContact CD1-CZ 4.31Å; F726-F728 HydrophobicContact CG-CE1 4.03Å; F726-F728 AromaticContact CG-CZ 3.9Å; F726-F728 HydrophobicContact CG-CZ 3.9Å; F728-G730 PolarHBondContact O-N 3.25Å; F728-G730 VanDerWaalsContact O-N 3.16Å; F728-V731 PolarHBondContact O-N 3.19Å; F728-A736 HydrophobicContact CB-CB 4.42Å; F728-A736 HydrophobicContact CD1-CB 3.53Å; F728-A736 HydrophobicContact CE1-CB 3.82Å; F728-A736 HydrophobicContact CG-CB 3.95Å; F728-A736 HydrophobicContact CZ-CB 4.47Å; F728-F740 HydrophobicContact CZ-CB 4.08Å; F728-F740 HydrophobicContact CZ-CD2 4.48Å; F728-F740 HydrophobicContact CZ-CG 4.49Å; F728-F760 HydrophobicContact CD2-CE2 4.42Å; F728-F760 HydrophobicContact CE1-CE2 4.3Å; F728-F760 AromaticContact CE2-CD2 3.68Å; F728-F760 HydrophobicContact CE2-CD2 3.68Å; F728-F760 AromaticContact CE2-CE2 3.66Å; F728-F760 HydrophobicContact CE2-CE2 3.66Å; F728-F760 AromaticContact CZ-CD2 3.79Å; F728-F760 HydrophobicContact CZ-CD2 3.79Å; F728-F760 AromaticContact CZ-CE2 3.6Å; F728-F760 HydrophobicContact CZ-CE2 3.6Å; F728-H763 AromaticContact CD2-CD2 3.56Å; F728-H763 AromaticContact CE2-CD2 3.69Å; F728-W764 HydrophobicContact CD2-CB 4.06Å; F728-N768 PolarHBondContact O-ND2 2.93Å; F728-N768 PolarHBondContact O-OD1 2.92Å | ||
| 729 | A | 92.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 50% | 0.504 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 115 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D727 V731 | D727-A729 VanDerWaalsContact OD1-CB 3.28Å; D727-A729 WeakPolarHBondContact OD1-CB 3.44Å; D727-A729 PolarHBondContact OD1-N 2.86Å; A729-V731 VanDerWaalsContact C-N 3.26Å; A729-V731 PolarHBondContact O-N 3.38Å |
| 730 | G | 91.1 | Very high | 92 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 77% | 0.773 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 4.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F728 N768 | F728-G730 PolarHBondContact O-N 3.25Å; F728-G730 VanDerWaalsContact O-N 3.16Å; G730-N768 WeakPolarHBondContact CA-OD1 3.45Å; G730-N768 PolarHBondContact N-OD1 3.13Å |
| 731 | V | 92.2 | Very high | 91.9 | Very high | 29 Ų | 29 | 36.9 Ų | 36.9 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | trans | -90.7 | 128.6 | -179.1 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | F728 A729 E735 A736 W764 | F728-V731 PolarHBondContact O-N 3.19Å; A729-V731 VanDerWaalsContact C-N 3.26Å; A729-V731 PolarHBondContact O-N 3.38Å; V731-E735 HydrophobicContact CG1-CB 3.66Å; V731-A736 HydrophobicContact CB-CB 4.38Å; V731-A736 HydrophobicContact CG1-CB 3.96Å; V731-W764 PolarHBondContact O-NE1 2.8Å | ||
| 732 | R | 92.9 | Very high | 91.3 | Very high | 59 Ų | 59 | 38 Ų | 38 | 22% | 0.223 | 21% | 0.208 | C | C | . | . | trans | -66.5 | 149.1 | -179.5 | -162.2 | 174.5 | 62.6 | -95.3 | -9.4 | 110.5 | D734 E735 A736 | R732-D734 VanDerWaalsContact C-N 3.3Å; R732-D734 WeakPolarHBondContact CG-OD1 3.37Å; R732-D734 IonicContact CZ-OD1 3.79Å; R732-D734 IonicContact CZ-OD2 2.84Å; R732-D734 IonicContact NE-OD1 2.66Å; R732-D734 PolarHBondContact NE-OD1 2.95Å; R732-D734 IonicContact NE-OD2 3.62Å; R732-D734 IonicContact NH2-OD1 3.61Å; R732-D734 PolarHBondContact NH2-OD1 3.23Å; R732-D734 VanDerWaalsContact NH2-OD1 3.08Å; R732-D734 IonicContact NH2-OD2 3.05Å; R732-D734 PolarHBondContact NH2-OD2 3.23Å; R732-D734 PolarHBondContact O-N 3.41Å; R732-D734 VanDerWaalsContact O-N 3.15Å; R732-E735 VanDerWaalsContact CB-OE2 3.25Å; R732-E735 WeakPolarHBondContact CB-OE2 3.17Å; R732-E735 VanDerWaalsContact CZ-CD 3.42Å; R732-E735 IonicContact CZ-OE1 3.54Å; R732-E735 IonicContact CZ-OE2 3.34Å; R732-E735 PolarHBondContact N-OE2 3.5Å; R732-E735 IonicContact NH1-OE1 2.69Å; R732-E735 PolarHBondContact NH1-OE1 2.93Å; R732-E735 IonicContact NH1-OE2 3.94Å; R732-E735 PolarHBondContact NH1-OE2 3.15Å; R732-E735 IonicContact NH2-OE1 2.77Å; R732-E735 PolarHBondContact NH2-OE1 3.48Å; R732-E735 IonicContact NH2-OE2 3.8Å; R732-E735 WeakPolarHBondContact O-CA 3.38Å; R732-E735 WeakPolarHBondContact O-CB 3.41Å; R732-E735 PolarHBondContact O-N 3.33Å; R732-A736 PolarHBondContact O-N 2.95Å | ||
| 733 | L | 95 | Very high | 90.9 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -37.5 | -169.6 | -172.8 | 147.6 | 0 | 0 | 0 | 114 | L737 F760 W764 F772 A778 L781 A782 V785 | L733-L737 WeakPolarHBondContact O-CB 3.45Å; L733-L737 PolarHBondContact O-N 2.98Å; L733-F760 HydrophobicContact CG-CE1 4.34Å; L733-W764 HydrophobicContact CB-CD2 4.34Å; L733-W764 HydrophobicContact CB-CH2 4.28Å; L733-W764 HydrophobicContact CB-CZ2 3.84Å; L733-W764 HydrophobicContact CD1-CD2 4.1Å; L733-W764 HydrophobicContact CD1-CE3 3.89Å; L733-W764 HydrophobicContact CD1-CH2 4.39Å; L733-W764 HydrophobicContact CD1-CZ3 4.04Å; L733-W764 HydrophobicContact CG-CD2 4.38Å; L733-F772 HydrophobicContact CD1-CE2 4.12Å; L733-A778 HydrophobicContact CD1-CB 4.14Å; L733-L781 HydrophobicContact CD1-CB 4.45Å; L733-L781 HydrophobicContact CD1-CD2 4.32Å; L733-L781 HydrophobicContact CD2-CG 4.3Å; L733-A782 HydrophobicContact CD2-CB 3.97Å; L733-V785 HydrophobicContact CD2-CG2 4.46Å |
| 734 | D | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.4 | -29.3 | 175.6 | 65 | -61.4 | 0 | 0 | 0 | 113.6 | R732 R738 V785 I830 S833 I834 | R732-D734 VanDerWaalsContact C-N 3.3Å; R732-D734 WeakPolarHBondContact CG-OD1 3.37Å; R732-D734 IonicContact CZ-OD1 3.79Å; R732-D734 IonicContact CZ-OD2 2.84Å; R732-D734 IonicContact NE-OD1 2.66Å; R732-D734 PolarHBondContact NE-OD1 2.95Å; R732-D734 IonicContact NE-OD2 3.62Å; R732-D734 IonicContact NH2-OD1 3.61Å; R732-D734 PolarHBondContact NH2-OD1 3.23Å; R732-D734 VanDerWaalsContact NH2-OD1 3.08Å; R732-D734 IonicContact NH2-OD2 3.05Å; R732-D734 PolarHBondContact NH2-OD2 3.23Å; R732-D734 PolarHBondContact O-N 3.41Å; R732-D734 VanDerWaalsContact O-N 3.15Å; D734-R738 VanDerWaalsContact O-CG 3.3Å; D734-R738 WeakPolarHBondContact O-CG 3.48Å; D734-R738 PolarHBondContact O-N 3.3Å; D734-V785 HydrophobicContact CB-CG1 4.4Å; D734-I830 HydrophobicContact CB-CG1 4.34Å; D734-I830 HydrophobicContact CB-CG2 4.27Å; D734-I830 WeakPolarHBondContact OD1-CG1 3.28Å; D734-S833 WeakPolarHBondContact OD2-CB 3.37Å; D734-S833 PolarHBondContact OD2-OG 3.47Å; D734-I834 HydrophobicContact CB-CD1 4.27Å |
| 735 | E | 92 | Very high | 90.1 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 34% | 0.341 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -77 | -42.8 | 176.3 | -69.9 | 160.1 | 172 | 0 | 0 | 111 | V731 R732 L737 R738 Q739 | V731-E735 HydrophobicContact CG1-CB 3.66Å; R732-E735 VanDerWaalsContact CB-OE2 3.25Å; R732-E735 WeakPolarHBondContact CB-OE2 3.17Å; R732-E735 VanDerWaalsContact CZ-CD 3.42Å; R732-E735 IonicContact CZ-OE1 3.54Å; R732-E735 IonicContact CZ-OE2 3.34Å; R732-E735 PolarHBondContact N-OE2 3.5Å; R732-E735 IonicContact NH1-OE1 2.69Å; R732-E735 PolarHBondContact NH1-OE1 2.93Å; R732-E735 IonicContact NH1-OE2 3.94Å; R732-E735 PolarHBondContact NH1-OE2 3.15Å; R732-E735 IonicContact NH2-OE1 2.77Å; R732-E735 PolarHBondContact NH2-OE1 3.48Å; R732-E735 IonicContact NH2-OE2 3.8Å; R732-E735 WeakPolarHBondContact O-CA 3.38Å; R732-E735 WeakPolarHBondContact O-CB 3.41Å; R732-E735 PolarHBondContact O-N 3.33Å; E735-L737 VanDerWaalsContact C-N 3.34Å; E735-R738 WeakPolarHBondContact O-CB 3.41Å; E735-R738 PolarHBondContact O-N 3.28Å; E735-Q739 WeakPolarHBondContact O-CG 3.32Å; E735-Q739 PolarHBondContact O-N 3.5Å; E735-Q739 VanDerWaalsContact O-N 3.08Å |
| 736 | A | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F728 V731 R732 R738 Q739 F740 F760 W764 | F728-A736 HydrophobicContact CB-CB 4.42Å; F728-A736 HydrophobicContact CD1-CB 3.53Å; F728-A736 HydrophobicContact CE1-CB 3.82Å; F728-A736 HydrophobicContact CG-CB 3.95Å; F728-A736 HydrophobicContact CZ-CB 4.47Å; V731-A736 HydrophobicContact CB-CB 4.38Å; V731-A736 HydrophobicContact CG1-CB 3.96Å; R732-A736 PolarHBondContact O-N 2.95Å; A736-R738 PolarHBondContact O-N 3.22Å; A736-Q739 PolarHBondContact O-N 3.23Å; A736-F740 WeakPolarHBondContact O-CB 3.47Å; A736-F740 PolarHBondContact O-N 3.26Å; A736-F760 HydrophobicContact CB-CE2 4.06Å; A736-F760 HydrophobicContact CB-CZ 4.04Å; A736-W764 VanDerWaalsContact CB-CD1 3.47Å |
| 737 | L | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 178 | -171.8 | 65.3 | 0 | 0 | 0 | 111.9 | L733 E735 F740 L741 I757 F760 A782 V785 I786 | L733-L737 WeakPolarHBondContact O-CB 3.45Å; L733-L737 PolarHBondContact O-N 2.98Å; E735-L737 VanDerWaalsContact C-N 3.34Å; L737-F740 PolarHBondContact O-N 3.18Å; L737-L741 HydrophobicContact CD1-CD1 3.78Å; L737-L741 HydrophobicContact CD1-CD2 4.32Å; L737-L741 HydrophobicContact CD1-CG 3.81Å; L737-L741 HydrophobicContact CD2-CD1 4.35Å; L737-L741 HydrophobicContact CG-CD1 3.74Å; L737-L741 HydrophobicContact CG-CG 4.08Å; L737-L741 VanDerWaalsContact O-CB 3.29Å; L737-L741 WeakPolarHBondContact O-CB 3.46Å; L737-L741 VanDerWaalsContact O-CG 3.23Å; L737-L741 WeakPolarHBondContact O-CG 3.48Å; L737-L741 PolarHBondContact O-N 3.45Å; L737-I757 HydrophobicContact CD1-CD1 3.93Å; L737-F760 HydrophobicContact CB-CE1 4.17Å; L737-F760 HydrophobicContact CB-CE2 4.3Å; L737-F760 HydrophobicContact CB-CZ 3.7Å; L737-F760 HydrophobicContact CD1-CD1 3.98Å; L737-F760 HydrophobicContact CD1-CD2 4.45Å; L737-F760 HydrophobicContact CD1-CE1 3.76Å; L737-F760 HydrophobicContact CD1-CE2 4.24Å; L737-F760 HydrophobicContact CD1-CG 4.34Å; L737-F760 HydrophobicContact CD1-CZ 3.91Å; L737-F760 HydrophobicContact CG-CE1 4.49Å; L737-F760 HydrophobicContact CG-CZ 4.4Å; L737-A782 HydrophobicContact CD2-CB 4.4Å; L737-V785 HydrophobicContact CD2-CB 4.15Å; L737-V785 HydrophobicContact CD2-CG1 3.72Å; L737-I786 HydrophobicContact CD2-CD1 4.48Å; L737-I786 HydrophobicContact CD2-CG1 4.03Å |
| 738 | R | 90.3 | Very high | 88.7 | Confident | 36 Ų | 36 | 32.3 Ų | 32.3 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -54 | 169.1 | -79.1 | 172.6 | -162.2 | -75.2 | 0.7 | 111.6 | D734 E735 A736 F740 L741 E742 S833 Q837 E838 I839 | D734-R738 VanDerWaalsContact O-CG 3.3Å; D734-R738 WeakPolarHBondContact O-CG 3.48Å; D734-R738 PolarHBondContact O-N 3.3Å; E735-R738 WeakPolarHBondContact O-CB 3.41Å; E735-R738 PolarHBondContact O-N 3.28Å; A736-R738 PolarHBondContact O-N 3.22Å; R738-F740 PolarHBondContact O-N 3.36Å; R738-L741 PolarHBondContact O-N 3.28Å; R738-E742 WeakPolarHBondContact O-CB 3.43Å; R738-E742 PolarHBondContact O-N 3.47Å; R738-S833 PolarHBondContact NH2-O 3.27Å; R738-S833 PolarHBondContact NH2-OG 3.3Å; R738-S833 VanDerWaalsContact NH2-OG 3.1Å; R738-Q837 VanDerWaalsContact CZ-O 3.27Å; R738-Q837 PolarHBondContact NH1-O 2.94Å; R738-Q837 PolarHBondContact NH2-O 3.46Å; R738-E838 PolarHBondContact NH1-O 3Å; R738-I839 HydrophobicContact CG-CD1 4.27Å; R738-I839 HydrophobicContact CG-CG1 3.94Å; R738-I839 HydrophobicContact CG-CG2 4.48Å |
| 739 | Q | 86.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 38.6 Ų | 38.6 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.5 | -39.7 | -177.7 | -67.2 | 177.1 | 28.4 | 0 | 0 | 111.8 | F726 E735 A736 | F726-Q739 WeakPolarHBondContact CE1-O 3.31Å; E735-Q739 WeakPolarHBondContact O-CG 3.32Å; E735-Q739 PolarHBondContact O-N 3.5Å; E735-Q739 VanDerWaalsContact O-N 3.08Å; A736-Q739 PolarHBondContact O-N 3.23Å |
| 740 | F | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -56.8 | 177.6 | -174 | -121.7 | 0 | 0 | 0 | 112.3 | F722 V723 F726 F728 A736 L737 R738 E742 S743 F744 V756 F760 | F722-F740 HydrophobicContact CD1-CE2 4.11Å; F722-F740 HydrophobicContact CE1-CE2 4.2Å; V723-F740 HydrophobicContact CB-CE2 4.4Å; V723-F740 HydrophobicContact CG2-CE2 3.68Å; V723-F740 HydrophobicContact CG2-CZ 3.64Å; F726-F740 AromaticContact CD2-CD2 4Å; F726-F740 HydrophobicContact CD2-CD2 4Å; F726-F740 HydrophobicContact CD2-CE2 4.49Å; F726-F740 AromaticContact CE2-CD2 3.78Å; F726-F740 HydrophobicContact CE2-CD2 3.78Å; F726-F740 HydrophobicContact CE2-CE2 4.2Å; F726-F740 HydrophobicContact CZ-CD2 4.1Å; F728-F740 HydrophobicContact CZ-CB 4.08Å; F728-F740 HydrophobicContact CZ-CD2 4.48Å; F728-F740 HydrophobicContact CZ-CG 4.49Å; A736-F740 WeakPolarHBondContact O-CB 3.47Å; A736-F740 PolarHBondContact O-N 3.26Å; L737-F740 PolarHBondContact O-N 3.18Å; R738-F740 PolarHBondContact O-N 3.36Å; F740-E742 PolarHBondContact O-N 3.37Å; F740-S743 PolarHBondContact O-N 3.29Å; F740-S743 PolarHBondContact O-OG 3.5Å; F740-F744 HydrophobicContact CD1-CE1 4.22Å; F740-F744 HydrophobicContact CD1-CZ 4.22Å; F740-F744 HydrophobicContact CD2-CE1 4.14Å; F740-F744 AromaticContact CE1-CE1 3.84Å; F740-F744 HydrophobicContact CE1-CE1 3.84Å; F740-F744 AromaticContact CE1-CZ 3.65Å; F740-F744 HydrophobicContact CE1-CZ 3.65Å; F740-F744 AromaticContact CE2-CE1 3.74Å; F740-F744 HydrophobicContact CE2-CE1 3.74Å; F740-F744 HydrophobicContact CE2-CZ 4.35Å; F740-F744 HydrophobicContact CG-CE1 4.35Å; F740-F744 AromaticContact CZ-CE1 3.57Å; F740-F744 HydrophobicContact CZ-CE1 3.57Å; F740-F744 AromaticContact CZ-CZ 3.71Å; F740-F744 HydrophobicContact CZ-CZ 3.71Å; F740-V756 HydrophobicContact CE1-CG1 3.71Å; F740-V756 HydrophobicContact CZ-CG1 4.02Å; F740-F760 HydrophobicContact CB-CD2 3.95Å; F740-F760 HydrophobicContact CB-CE2 4.07Å; F740-F760 HydrophobicContact CD1-CB 4.03Å; F740-F760 AromaticContact CD1-CD2 3.61Å; F740-F760 HydrophobicContact CD1-CD2 3.61Å; F740-F760 HydrophobicContact CD1-CE2 4.43Å; F740-F760 HydrophobicContact CD1-CG 4.01Å; F740-F760 HydrophobicContact CD2-CD2 4.49Å; F740-F760 HydrophobicContact CE1-CB 3.79Å; F740-F760 HydrophobicContact CE1-CD2 4.23Å; F740-F760 HydrophobicContact CE1-CG 4.28Å; F740-F760 AromaticContact CG-CD2 3.77Å; F740-F760 HydrophobicContact CG-CD2 3.77Å; F740-F760 HydrophobicContact CG-CE2 4.39Å; F740-F760 HydrophobicContact CZ-CB 4.36Å |
| 741 | L | 87.8 | Confident | 87.7 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -11.5 | -178.6 | -61.4 | -174.5 | 0 | 0 | 0 | 113.7 | L737 R738 S743 F744 L746 I757 I786 I839 | L737-L741 HydrophobicContact CD1-CD1 3.78Å; L737-L741 HydrophobicContact CD1-CD2 4.32Å; L737-L741 HydrophobicContact CD1-CG 3.81Å; L737-L741 HydrophobicContact CD2-CD1 4.35Å; L737-L741 HydrophobicContact CG-CD1 3.74Å; L737-L741 HydrophobicContact CG-CG 4.08Å; L737-L741 VanDerWaalsContact O-CB 3.29Å; L737-L741 WeakPolarHBondContact O-CB 3.46Å; L737-L741 VanDerWaalsContact O-CG 3.23Å; L737-L741 WeakPolarHBondContact O-CG 3.48Å; L737-L741 PolarHBondContact O-N 3.45Å; R738-L741 PolarHBondContact O-N 3.28Å; L741-S743 VanDerWaalsContact C-N 3.31Å; L741-F744 HydrophobicContact CD2-CZ 4.2Å; L741-L746 HydrophobicContact CD1-CD1 3.69Å; L741-L746 HydrophobicContact CD2-CD1 3.76Å; L741-L746 HydrophobicContact CD2-CD2 4.08Å; L741-L746 HydrophobicContact CD2-CG 3.75Å; L741-L746 HydrophobicContact CG-CD1 4.29Å; L741-I757 HydrophobicContact CD2-CD1 4.38Å; L741-I786 HydrophobicContact CD1-CD1 4.41Å; L741-I786 HydrophobicContact CD1-CG1 4.34Å; L741-I839 HydrophobicContact CB-CG2 4.3Å; L741-I839 HydrophobicContact CD1-CG2 4.37Å |
| 742 | E | 81 | Confident | 87.5 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.4 | 170.8 | -179.1 | 162.2 | -159 | 0 | 0 | 112.3 | K703 R738 F740 Y853 V857 R860 | K703-E742 WeakPolarHBondContact CE-O 3.33Å; K703-E742 PolarHBondContact NZ-O 2.99Å; R738-E742 WeakPolarHBondContact O-CB 3.43Å; R738-E742 PolarHBondContact O-N 3.47Å; F740-E742 PolarHBondContact O-N 3.37Å; E742-Y853 HydrophobicContact CG-CE2 4.11Å; E742-Y853 VanDerWaalsContact CG-OH 3.25Å; E742-Y853 WeakPolarHBondContact CG-OH 3.27Å; E742-Y853 WeakPolarHBondContact OE1-CE2 3.42Å; E742-Y853 PolarHBondContact OE1-OH 2.88Å; E742-V857 WeakPolarHBondContact OE1-CG2 3.18Å; E742-R860 IonicContact OE1-CZ 2.71Å; E742-R860 IonicContact OE1-NH1 2.87Å; E742-R860 PolarHBondContact OE1-NH1 2.92Å; E742-R860 IonicContact OE1-NH2 3.39Å; E742-R860 PolarHBondContact OE1-NH2 3.28Å; E742-R860 IonicContact OE2-CZ 3.8Å; E742-R860 IonicContact OE2-NH1 3.19Å; E742-R860 PolarHBondContact OE2-NH1 3.05Å; E742-R860 IonicContact OE2-NH2 3.74Å; E742-R860 PolarHBondContact OE2-NH2 3.29Å |
| 743 | S | 83.4 | Confident | 87.3 | Confident | 21 Ų | 21 | 39 Ų | 39 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -32 | -171.8 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | F722 F726 F740 L741 | F722-S743 WeakPolarHBondContact CE1-OG 3.43Å; F722-S743 WeakPolarHBondContact CZ-OG 3.43Å; F726-S743 WeakPolarHBondContact CZ-OG 3.39Å; F740-S743 PolarHBondContact O-N 3.29Å; F740-S743 PolarHBondContact O-OG 3.5Å; L741-S743 VanDerWaalsContact C-N 3.31Å |
| 744 | F | 85.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -138.1 | 165.3 | 176.2 | 64.9 | -84.8 | 0 | 0 | 0 | 109.8 | I706 A707 I710 F722 F740 L741 V756 | I706-F744 HydrophobicContact CB-CB 4.13Å; I706-F744 HydrophobicContact CG2-CB 3.87Å; A707-F744 HydrophobicContact CB-CB 4.37Å; A707-F744 HydrophobicContact CB-CD2 3.91Å; I710-F744 HydrophobicContact CD1-CD1 4.18Å; I710-F744 HydrophobicContact CD1-CG 4.23Å; F722-F744 AromaticContact CE1-CD1 3.58Å; F722-F744 HydrophobicContact CE1-CD1 3.58Å; F722-F744 AromaticContact CE1-CE1 3.91Å; F722-F744 HydrophobicContact CE1-CE1 3.91Å; F722-F744 HydrophobicContact CZ-CD1 4Å; F740-F744 HydrophobicContact CD1-CE1 4.22Å; F740-F744 HydrophobicContact CD1-CZ 4.22Å; F740-F744 HydrophobicContact CD2-CE1 4.14Å; F740-F744 AromaticContact CE1-CE1 3.84Å; F740-F744 HydrophobicContact CE1-CE1 3.84Å; F740-F744 AromaticContact CE1-CZ 3.65Å; F740-F744 HydrophobicContact CE1-CZ 3.65Å; F740-F744 AromaticContact CE2-CE1 3.74Å; F740-F744 HydrophobicContact CE2-CE1 3.74Å; F740-F744 HydrophobicContact CE2-CZ 4.35Å; F740-F744 HydrophobicContact CG-CE1 4.35Å; F740-F744 AromaticContact CZ-CE1 3.57Å; F740-F744 HydrophobicContact CZ-CE1 3.57Å; F740-F744 AromaticContact CZ-CZ 3.71Å; F740-F744 HydrophobicContact CZ-CZ 3.71Å; L741-F744 HydrophobicContact CD2-CZ 4.2Å; F744-V756 HydrophobicContact CE2-CG1 3.99Å; F744-V756 HydrophobicContact CZ-CG1 3.62Å |
| 745 | R | 84.1 | Confident | 86.9 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 127.6 | 177 | -175.6 | -172 | 173 | -139.9 | -4 | 109.8 | K703 R704 A707 M841 E844 | K703-R745 HydrophobicContact CB-CB 4.24Å; K703-R745 PolarHBondContact O-N 2.59Å; R704-R745 HydrophobicContact CB-CB 4.34Å; A707-R745 WeakPolarHBondContact CB-O 3.39Å; R745-M841 HydrophobicContact CB-SD 4.37Å; R745-M841 HydrophobicContact CG-CE 3.96Å; R745-M841 HydrophobicContact CG-SD 3.92Å; R745-E844 IonicContact CZ-OE1 2.74Å; R745-E844 IonicContact NE-OE1 2.61Å; R745-E844 PolarHBondContact NE-OE1 3.25Å; R745-E844 IonicContact NH2-OE1 2.63Å; R745-E844 PolarHBondContact NH2-OE1 2.93Å |
| 746 | L | 82.9 | Confident | 86.9 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -50.6 | 137.5 | 176.5 | -95.4 | 158.3 | 0 | 0 | 0 | 112 | L741 I753 I786 M841 | L741-L746 HydrophobicContact CD1-CD1 3.69Å; L741-L746 HydrophobicContact CD2-CD1 3.76Å; L741-L746 HydrophobicContact CD2-CD2 4.08Å; L741-L746 HydrophobicContact CD2-CG 3.75Å; L741-L746 HydrophobicContact CG-CD1 4.29Å; L746-I753 HydrophobicContact CD2-CG1 4.22Å; L746-I753 HydrophobicContact CD2-CG2 4.16Å; L746-I786 HydrophobicContact CD1-CD1 4.46Å; L746-M841 HydrophobicContact CB-CE 4.1Å; L746-M841 HydrophobicContact CB-SD 4.13Å; L746-M841 PolarHBondContact N-SD 3.44Å; L746-M841 VanDerWaalsContact N-SD 3.35Å |
| 747 | P | 83.2 | Confident | 86.9 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 158.7 | 171.9 | -22 | 34.2 | 0 | 0 | 0 | 112.5 | V711 E752 I753 | V711-P747 HydrophobicContact CB-CG 4.47Å; V711-P747 HydrophobicContact CG1-CG 4.16Å; V711-P747 HydrophobicContact CG2-CG 3.79Å; P747-E752 HydrophobicContact CB-CB 3.58Å; P747-E752 HydrophobicContact CB-CG 4.48Å; P747-E752 WeakPolarHBondContact CB-OE2 3.46Å; P747-E752 HydrophobicContact CG-CB 3.96Å; P747-I753 WeakPolarHBondContact O-CD1 3.49Å; P747-I753 VanDerWaalsContact O-CG1 3.26Å; P747-I753 WeakPolarHBondContact O-CG1 3.41Å |
| 748 | G | 78 | Confident | 86.9 | Confident | 81 Ų | 81 | 44.3 Ų | 44.3 | 84% | 0.835 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -85.9 | -19.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 749 | E | 84.9 | Confident | 87.1 | Confident | 131 Ų | 131 | 43.6 Ų | 43.6 | 61% | 0.612 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -90.1 | 129.9 | -177.7 | -62 | -166.9 | -173.2 | 0 | 0 | 111.5 | A751 E752 I753 | E749-A751 PolarHBondContact O-N 3.03Å; E749-A751 VanDerWaalsContact O-N 3.15Å; E749-E752 HydrophobicContact CB-CB 4.27Å; E749-E752 HydrophobicContact CB-CG 4.06Å; E749-E752 WeakPolarHBondContact O-CA 3.22Å; E749-E752 WeakPolarHBondContact O-CB 3.4Å; E749-E752 PolarHBondContact O-N 3.49Å; E749-I753 PolarHBondContact O-N 3.33Å |
| 750 | A | 84.3 | Confident | 87.5 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.3 | -32.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S754 | A750-S754 WeakPolarHBondContact O-CB 3.46Å; A750-S754 PolarHBondContact O-N 2.93Å |
| 751 | A | 86.7 | Confident | 87.8 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 60% | 0.603 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -69.1 | -34.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E749 M755 | E749-A751 PolarHBondContact O-N 3.03Å; E749-A751 VanDerWaalsContact O-N 3.15Å; A751-M755 PolarHBondContact O-N 3.31Å |
| 752 | E | 89.1 | Confident | 88.1 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.7 | -42.7 | 175.9 | -69.1 | -172.3 | 135.8 | 0 | 0 | 111.4 | V711 P747 E749 S754 M755 V756 | V711-E752 HydrophobicContact CG1-CB 3.67Å; V711-E752 HydrophobicContact CG1-CG 3.65Å; P747-E752 HydrophobicContact CB-CB 3.58Å; P747-E752 HydrophobicContact CB-CG 4.48Å; P747-E752 WeakPolarHBondContact CB-OE2 3.46Å; P747-E752 HydrophobicContact CG-CB 3.96Å; E749-E752 HydrophobicContact CB-CB 4.27Å; E749-E752 HydrophobicContact CB-CG 4.06Å; E749-E752 WeakPolarHBondContact O-CA 3.22Å; E749-E752 WeakPolarHBondContact O-CB 3.4Å; E749-E752 PolarHBondContact O-N 3.49Å; E752-S754 VanDerWaalsContact C-N 3.35Å; E752-S754 PolarHBondContact O-N 3.34Å; E752-M755 PolarHBondContact O-N 3.41Å; E752-V756 WeakPolarHBondContact O-CG2 3.33Å; E752-V756 PolarHBondContact O-N 2.91Å; E752-V756 VanDerWaalsContact O-N 3.1Å |
| 753 | I | 88.5 | Confident | 88.8 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -50.1 | 171.4 | -62.5 | 171 | 0 | 0 | 0 | 109.9 | L746 P747 E749 M755 V756 I757 Y783 | L746-I753 HydrophobicContact CD2-CG1 4.22Å; L746-I753 HydrophobicContact CD2-CG2 4.16Å; P747-I753 WeakPolarHBondContact O-CD1 3.49Å; P747-I753 VanDerWaalsContact O-CG1 3.26Å; P747-I753 WeakPolarHBondContact O-CG1 3.41Å; E749-I753 PolarHBondContact O-N 3.33Å; I753-M755 PolarHBondContact O-N 3.39Å; I753-V756 PolarHBondContact O-N 2.79Å; I753-I757 HydrophobicContact CG2-CG1 4.14Å; I753-I757 WeakPolarHBondContact O-CG1 3.49Å; I753-I757 PolarHBondContact O-N 3.13Å; I753-Y783 HydrophobicContact CG2-CE2 3.95Å |
| 754 | S | 90 | Very high | 89.4 | Confident | 44 Ų | 44 | 42.4 Ų | 42.4 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.1 | -51.6 | -180 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | A750 E752 V756 I757 E758 F779 | A750-S754 WeakPolarHBondContact O-CB 3.46Å; A750-S754 PolarHBondContact O-N 2.93Å; E752-S754 VanDerWaalsContact C-N 3.35Å; E752-S754 PolarHBondContact O-N 3.34Å; S754-V756 VanDerWaalsContact C-N 3.31Å; S754-V756 PolarHBondContact O-N 3.43Å; S754-I757 PolarHBondContact O-N 2.69Å; S754-E758 VanDerWaalsContact O-CB 3.25Å; S754-E758 WeakPolarHBondContact O-CB 3.38Å; S754-E758 PolarHBondContact O-N 2.84Å; S754-F779 WeakPolarHBondContact O-CE2 3.29Å |
| 755 | M | 90.4 | Very high | 89.9 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 22% | 0.217 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 180 | -177 | -176.1 | 69.1 | 0 | 0 | 112.6 | V711 L719 A751 E752 I753 H759 | V711-M755 HydrophobicContact CB-CE 4.46Å; V711-M755 HydrophobicContact CG1-CE 3.87Å; V711-M755 WeakPolarHBondContact O-CE 3.35Å; L719-M755 HydrophobicContact CD2-CE 3.98Å; L719-M755 HydrophobicContact CD2-CG 4.39Å; A751-M755 PolarHBondContact O-N 3.31Å; E752-M755 PolarHBondContact O-N 3.41Å; I753-M755 PolarHBondContact O-N 3.39Å; M755-H759 PolarHBondContact O-N 3.09Å; M755-H759 PolarHBondContact O-ND1 3.32Å |
| 756 | V | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 178.3 | 167.3 | 0 | 0 | 0 | 0 | 111.7 | V711 L719 F740 F744 E752 I753 S754 F760 | V711-V756 HydrophobicContact CG2-CG2 3.58Å; L719-V756 HydrophobicContact CD1-CG2 4.34Å; L719-V756 HydrophobicContact CD2-CG2 4.39Å; F740-V756 HydrophobicContact CE1-CG1 3.71Å; F740-V756 HydrophobicContact CZ-CG1 4.02Å; F744-V756 HydrophobicContact CE2-CG1 3.99Å; F744-V756 HydrophobicContact CZ-CG1 3.62Å; E752-V756 WeakPolarHBondContact O-CG2 3.33Å; E752-V756 PolarHBondContact O-N 2.91Å; E752-V756 VanDerWaalsContact O-N 3.1Å; I753-V756 PolarHBondContact O-N 2.79Å; S754-V756 VanDerWaalsContact C-N 3.31Å; S754-V756 PolarHBondContact O-N 3.43Å; V756-F760 PolarHBondContact O-N 2.93Å |
| 757 | I | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.7 | -27.9 | -178.7 | -59.8 | -57.8 | 0 | 0 | 0 | 112 | L737 L741 I753 S754 F760 A761 F779 A782 I786 | L737-I757 HydrophobicContact CD1-CD1 3.93Å; L741-I757 HydrophobicContact CD2-CD1 4.38Å; I753-I757 HydrophobicContact CG2-CG1 4.14Å; I753-I757 WeakPolarHBondContact O-CG1 3.49Å; I753-I757 PolarHBondContact O-N 3.13Å; S754-I757 PolarHBondContact O-N 2.69Å; I757-F760 PolarHBondContact O-N 3.39Å; I757-A761 VanDerWaalsContact O-CB 3.26Å; I757-A761 WeakPolarHBondContact O-CB 3.42Å; I757-A761 PolarHBondContact O-N 3.31Å; I757-F779 HydrophobicContact CB-CD2 4.2Å; I757-F779 HydrophobicContact CB-CE2 3.98Å; I757-F779 HydrophobicContact CG2-CD2 3.78Å; I757-F779 HydrophobicContact CG2-CE2 3.95Å; I757-A782 HydrophobicContact CG2-CB 3.64Å; I757-I786 HydrophobicContact CD1-CD1 3.64Å; I757-I786 HydrophobicContact CG1-CD1 3.83Å |
| 758 | E | 93.8 | Very high | 91.4 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -54.1 | 170.9 | -176.8 | -178.2 | -167.8 | 0 | 0 | 111 | S754 F760 A761 D762 F779 | S754-E758 VanDerWaalsContact O-CB 3.25Å; S754-E758 WeakPolarHBondContact O-CB 3.38Å; S754-E758 PolarHBondContact O-N 2.84Å; E758-F760 PolarHBondContact O-N 3.32Å; E758-A761 PolarHBondContact O-N 3.18Å; E758-D762 PolarHBondContact O-N 2.91Å; E758-F779 HydrophobicContact CB-CD2 4.28Å; E758-F779 HydrophobicContact CB-CE2 4.32Å |
| 759 | H | 93.5 | Very high | 92.1 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 178.8 | -66.3 | 68.8 | 0 | 0 | 0 | 112.2 | K716 V723 M755 H763 | K716-H759 WeakPolarHBondContact CE-NE2 3.35Å; V723-H759 HydrophobicContact CG2-CB 4.02Å; M755-H759 PolarHBondContact O-N 3.09Å; M755-H759 PolarHBondContact O-ND1 3.32Å; H759-H763 PolarHBondContact O-N 3.5Å; H759-H763 VanDerWaalsContact O-N 3.14Å |
| 760 | F | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 173.1 | 164.5 | -92.9 | 0 | 0 | 0 | 111.9 | F728 L733 A736 L737 F740 V756 I757 E758 H763 W764 A782 | F728-F760 HydrophobicContact CD2-CE2 4.42Å; F728-F760 HydrophobicContact CE1-CE2 4.3Å; F728-F760 AromaticContact CE2-CD2 3.68Å; F728-F760 HydrophobicContact CE2-CD2 3.68Å; F728-F760 AromaticContact CE2-CE2 3.66Å; F728-F760 HydrophobicContact CE2-CE2 3.66Å; F728-F760 AromaticContact CZ-CD2 3.79Å; F728-F760 HydrophobicContact CZ-CD2 3.79Å; F728-F760 AromaticContact CZ-CE2 3.6Å; F728-F760 HydrophobicContact CZ-CE2 3.6Å; L733-F760 HydrophobicContact CG-CE1 4.34Å; A736-F760 HydrophobicContact CB-CE2 4.06Å; A736-F760 HydrophobicContact CB-CZ 4.04Å; L737-F760 HydrophobicContact CB-CE1 4.17Å; L737-F760 HydrophobicContact CB-CE2 4.3Å; L737-F760 HydrophobicContact CB-CZ 3.7Å; L737-F760 HydrophobicContact CD1-CD1 3.98Å; L737-F760 HydrophobicContact CD1-CD2 4.45Å; L737-F760 HydrophobicContact CD1-CE1 3.76Å; L737-F760 HydrophobicContact CD1-CE2 4.24Å; L737-F760 HydrophobicContact CD1-CG 4.34Å; L737-F760 HydrophobicContact CD1-CZ 3.91Å; L737-F760 HydrophobicContact CG-CE1 4.49Å; L737-F760 HydrophobicContact CG-CZ 4.4Å; F740-F760 HydrophobicContact CB-CD2 3.95Å; F740-F760 HydrophobicContact CB-CE2 4.07Å; F740-F760 HydrophobicContact CD1-CB 4.03Å; F740-F760 AromaticContact CD1-CD2 3.61Å; F740-F760 HydrophobicContact CD1-CD2 3.61Å; F740-F760 HydrophobicContact CD1-CE2 4.43Å; F740-F760 HydrophobicContact CD1-CG 4.01Å; F740-F760 HydrophobicContact CD2-CD2 4.49Å; F740-F760 HydrophobicContact CE1-CB 3.79Å; F740-F760 HydrophobicContact CE1-CD2 4.23Å; F740-F760 HydrophobicContact CE1-CG 4.28Å; F740-F760 AromaticContact CG-CD2 3.77Å; F740-F760 HydrophobicContact CG-CD2 3.77Å; F740-F760 HydrophobicContact CG-CE2 4.39Å; F740-F760 HydrophobicContact CZ-CB 4.36Å; V756-F760 PolarHBondContact O-N 2.93Å; I757-F760 PolarHBondContact O-N 3.39Å; E758-F760 PolarHBondContact O-N 3.32Å; F760-H763 PolarHBondContact O-N 2.77Å; F760-W764 HydrophobicContact CZ-CB 4.42Å; F760-W764 VanDerWaalsContact O-CB 3.32Å; F760-W764 WeakPolarHBondContact O-CB 3.39Å; F760-W764 PolarHBondContact O-N 3.21Å; F760-A782 HydrophobicContact CD1-CB 4.24Å; F760-A782 HydrophobicContact CE1-CB 4.03Å |
| 761 | A | 95.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I757 E758 W764 Y765 A778 F779 | I757-A761 VanDerWaalsContact O-CB 3.26Å; I757-A761 WeakPolarHBondContact O-CB 3.42Å; I757-A761 PolarHBondContact O-N 3.31Å; E758-A761 PolarHBondContact O-N 3.18Å; A761-W764 PolarHBondContact O-N 3.31Å; A761-Y765 WeakPolarHBondContact O-CB 3.45Å; A761-Y765 PolarHBondContact O-N 3.27Å; A761-A778 HydrophobicContact CB-CB 4.07Å; A761-F779 HydrophobicContact CB-CB 3.76Å |
| 762 | D | 95 | Very high | 93 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.9 | -51.1 | 174.1 | -81.2 | -18.8 | 0 | 0 | 0 | 111.5 | E758 Y765 E766 A775 | E758-D762 PolarHBondContact O-N 2.91Å; D762-Y765 PolarHBondContact O-N 3.24Å; D762-E766 WeakPolarHBondContact O-CG 3.24Å; D762-E766 PolarHBondContact O-N 3.43Å; D762-A775 WeakPolarHBondContact OD1-CB 3.41Å |
| 763 | H | 95.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.3 | -40.6 | -177.7 | -176 | 54.6 | 0 | 0 | 0 | 112.5 | V723 F726 F728 H759 F760 Y765 S767 | V723-H763 HydrophobicContact CG1-CB 3.51Å; V723-H763 PolarHBondContact O-CD2 3.07Å; V723-H763 VanDerWaalsContact O-CD2 3.28Å; F726-H763 PolarHBondContact O-NE2 3.24Å; F728-H763 AromaticContact CD2-CD2 3.56Å; F728-H763 AromaticContact CE2-CD2 3.69Å; H759-H763 PolarHBondContact O-N 3.5Å; H759-H763 VanDerWaalsContact O-N 3.14Å; F760-H763 PolarHBondContact O-N 2.77Å; H763-Y765 VanDerWaalsContact C-N 3.34Å; H763-S767 PolarHBondContact CE1-OG 3.13Å; H763-S767 WeakPolarHBondContact O-CB 3.18Å; H763-S767 PolarHBondContact O-N 3.16Å; H763-S767 PolarHBondContact O-OG 3.47Å |
| 764 | W | 96.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.2 | -178.7 | 87.7 | 0 | 0 | 0 | 111.8 | F728 V731 L733 A736 F760 A761 S767 N768 P771 F772 A778 | F728-W764 HydrophobicContact CD2-CB 4.06Å; V731-W764 PolarHBondContact O-NE1 2.8Å; L733-W764 HydrophobicContact CB-CD2 4.34Å; L733-W764 HydrophobicContact CB-CH2 4.28Å; L733-W764 HydrophobicContact CB-CZ2 3.84Å; L733-W764 HydrophobicContact CD1-CD2 4.1Å; L733-W764 HydrophobicContact CD1-CE3 3.89Å; L733-W764 HydrophobicContact CD1-CH2 4.39Å; L733-W764 HydrophobicContact CD1-CZ3 4.04Å; L733-W764 HydrophobicContact CG-CD2 4.38Å; A736-W764 VanDerWaalsContact CB-CD1 3.47Å; F760-W764 HydrophobicContact CZ-CB 4.42Å; F760-W764 VanDerWaalsContact O-CB 3.32Å; F760-W764 WeakPolarHBondContact O-CB 3.39Å; F760-W764 PolarHBondContact O-N 3.21Å; A761-W764 PolarHBondContact O-N 3.31Å; W764-S767 PolarHBondContact O-N 3.08Å; W764-N768 HydrophobicContact CZ2-CB 4.28Å; W764-N768 PolarHBondContact NE1-ND2 2.75Å; W764-N768 WeakPolarHBondContact O-CB 3.13Å; W764-N768 PolarHBondContact O-N 3.43Å; W764-N768 PolarHBondContact O-ND2 3.26Å; W764-P771 HydrophobicContact CH2-CG 3.5Å; W764-P771 HydrophobicContact CZ2-CG 4.5Å; W764-P771 HydrophobicContact CZ3-CG 3.62Å; W764-F772 HydrophobicContact CE3-CE2 4.44Å; W764-F772 HydrophobicContact CH2-CD2 4.37Å; W764-F772 AromaticContact CH2-CE2 3.65Å; W764-F772 HydrophobicContact CH2-CE2 3.65Å; W764-F772 AromaticContact CH2-CZ 3.73Å; W764-F772 HydrophobicContact CH2-CZ 3.73Å; W764-F772 AromaticContact CZ3-CD2 3.78Å; W764-F772 HydrophobicContact CZ3-CD2 3.78Å; W764-F772 AromaticContact CZ3-CE2 3.37Å; W764-F772 HydrophobicContact CZ3-CE2 3.37Å; W764-F772 AromaticContact CZ3-CZ 3.96Å; W764-F772 HydrophobicContact CZ3-CZ 3.96Å; W764-A778 HydrophobicContact CE3-CB 4.01Å; W764-A778 HydrophobicContact CZ3-CB 4.25Å |
| 765 | Y | 96 | Very high | 93.4 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67 | -46.1 | -178.6 | 178.7 | -107.5 | 0 | 0 | 0 | 112.5 | A761 D762 H763 K770 F772 A775 | A761-Y765 WeakPolarHBondContact O-CB 3.45Å; A761-Y765 PolarHBondContact O-N 3.27Å; D762-Y765 PolarHBondContact O-N 3.24Å; H763-Y765 VanDerWaalsContact C-N 3.34Å; Y765-K770 HydrophobicContact CD1-CB 4.47Å; Y765-K770 HydrophobicContact CD1-CD 4.39Å; Y765-K770 HydrophobicContact CD1-CG 4.03Å; Y765-K770 HydrophobicContact CD2-CB 4.45Å; Y765-K770 HydrophobicContact CE1-CB 3.92Å; Y765-K770 HydrophobicContact CE1-CD 3.76Å; Y765-K770 HydrophobicContact CE1-CG 3.68Å; Y765-K770 HydrophobicContact CE2-CB 3.88Å; Y765-K770 HydrophobicContact CE2-CG 4.46Å; Y765-K770 WeakPolarHBondContact O-CA 3.44Å; Y765-K770 PolarHBondContact O-N 3.39Å; Y765-F772 HydrophobicContact CD2-CB 4.5Å; Y765-F772 HydrophobicContact CE2-CB 4.16Å; Y765-F772 WeakPolarHBondContact CE2-O 3.35Å; Y765-F772 PolarHBondContact OH-O 3.05Å; Y765-A775 HydrophobicContact CD1-CB 3.99Å; Y765-A775 HydrophobicContact CE1-CB 4.43Å; Y765-A775 HydrophobicContact CG-CB 4.25Å |
| 766 | E | 94.9 | Very high | 93.6 | Very high | 109 Ų | 109 | 51 Ų | 51 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 171.9 | -68.1 | -69.3 | 160.3 | 0 | 0 | 111.2 | D762 N768 Q769 K770 | D762-E766 WeakPolarHBondContact O-CG 3.24Å; D762-E766 PolarHBondContact O-N 3.43Å; E766-N768 PolarHBondContact O-N 3.25Å; E766-Q769 PolarHBondContact O-N 3.13Å; E766-K770 WeakPolarHBondContact OE1-CE 3.41Å; E766-K770 IonicContact OE1-NZ 3.22Å; E766-K770 PolarHBondContact OE1-NZ 3.08Å; E766-K770 WeakPolarHBondContact OE2-CE 3.46Å; E766-K770 IonicContact OE2-NZ 3.04Å; E766-K770 PolarHBondContact OE2-NZ 2.88Å |
| 767 | S | 94 | Very high | 93.7 | Very high | 36 Ų | 36 | 51 Ų | 51 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -28.4 | -177.5 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | H763 W764 | H763-S767 PolarHBondContact CE1-OG 3.13Å; H763-S767 WeakPolarHBondContact O-CB 3.18Å; H763-S767 PolarHBondContact O-N 3.16Å; H763-S767 PolarHBondContact O-OG 3.47Å; W764-S767 PolarHBondContact O-N 3.08Å |
| 768 | N | 93.9 | Very high | 93.8 | Very high | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.15 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 23.1 | 180 | -72.6 | -82 | 0 | 0 | 0 | 113.8 | F728 G730 W764 E766 K770 P771 | F728-N768 PolarHBondContact O-ND2 2.93Å; F728-N768 PolarHBondContact O-OD1 2.92Å; G730-N768 WeakPolarHBondContact CA-OD1 3.45Å; G730-N768 PolarHBondContact N-OD1 3.13Å; W764-N768 HydrophobicContact CZ2-CB 4.28Å; W764-N768 PolarHBondContact NE1-ND2 2.75Å; W764-N768 WeakPolarHBondContact O-CB 3.13Å; W764-N768 PolarHBondContact O-N 3.43Å; W764-N768 PolarHBondContact O-ND2 3.26Å; E766-N768 PolarHBondContact O-N 3.25Å; N768-K770 VanDerWaalsContact C-N 3.27Å; N768-K770 PolarHBondContact O-N 3.07Å; N768-P771 HydrophobicContact CB-CG 4.1Å; N768-P771 WeakPolarHBondContact O-CD 3.39Å |
| 769 | Q | 92.5 | Very high | 93.9 | Very high | 184 Ų | 184 | 48.2 Ų | 48.2 | 86% | 0.86 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 32.1 | 175.4 | -50.3 | 179.1 | 17.9 | 0 | 0 | 113.8 | E766 | E766-Q769 PolarHBondContact O-N 3.13Š|
| 770 | K | 92.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | trans | 59.5 | 63.8 | 174.8 | -50.1 | -169.4 | -165.7 | -152 | 0 | 113 | Y765 E766 N768 F772 | Y765-K770 HydrophobicContact CD1-CB 4.47Å; Y765-K770 HydrophobicContact CD1-CD 4.39Å; Y765-K770 HydrophobicContact CD1-CG 4.03Å; Y765-K770 HydrophobicContact CD2-CB 4.45Å; Y765-K770 HydrophobicContact CE1-CB 3.92Å; Y765-K770 HydrophobicContact CE1-CD 3.76Å; Y765-K770 HydrophobicContact CE1-CG 3.68Å; Y765-K770 HydrophobicContact CE2-CB 3.88Å; Y765-K770 HydrophobicContact CE2-CG 4.46Å; Y765-K770 WeakPolarHBondContact O-CA 3.44Å; Y765-K770 PolarHBondContact O-N 3.39Å; E766-K770 WeakPolarHBondContact OE1-CE 3.41Å; E766-K770 IonicContact OE1-NZ 3.22Å; E766-K770 PolarHBondContact OE1-NZ 3.08Å; E766-K770 WeakPolarHBondContact OE2-CE 3.46Å; E766-K770 IonicContact OE2-NZ 3.04Å; E766-K770 PolarHBondContact OE2-NZ 2.88Å; N768-K770 VanDerWaalsContact C-N 3.27Å; N768-K770 PolarHBondContact O-N 3.07Å; K770-F772 VanDerWaalsContact C-N 3.27Å; K770-F772 PolarHBondContact O-N 2.87Å | ||
| 771 | P | 89.3 | Confident | 93.9 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | trans | -79.3 | -6.7 | -171.5 | 34.4 | -36.7 | 0 | 0 | 0 | 114.1 | W764 N768 | W764-P771 HydrophobicContact CH2-CG 3.5Å; W764-P771 HydrophobicContact CZ2-CG 4.5Å; W764-P771 HydrophobicContact CZ3-CG 3.62Å; N768-P771 HydrophobicContact CB-CG 4.1Å; N768-P771 WeakPolarHBondContact O-CD 3.39Å | ||
| 772 | F | 92 | Very high | 93.9 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -119.2 | 174.3 | 179.4 | -59.1 | -30 | 0 | 0 | 0 | 110.3 | L733 W764 Y765 K770 S774 A777 A778 L781 N817 F822 M826 | L733-F772 HydrophobicContact CD1-CE2 4.12Å; W764-F772 HydrophobicContact CE3-CE2 4.44Å; W764-F772 HydrophobicContact CH2-CD2 4.37Å; W764-F772 AromaticContact CH2-CE2 3.65Å; W764-F772 HydrophobicContact CH2-CE2 3.65Å; W764-F772 AromaticContact CH2-CZ 3.73Å; W764-F772 HydrophobicContact CH2-CZ 3.73Å; W764-F772 AromaticContact CZ3-CD2 3.78Å; W764-F772 HydrophobicContact CZ3-CD2 3.78Å; W764-F772 AromaticContact CZ3-CE2 3.37Å; W764-F772 HydrophobicContact CZ3-CE2 3.37Å; W764-F772 AromaticContact CZ3-CZ 3.96Å; W764-F772 HydrophobicContact CZ3-CZ 3.96Å; Y765-F772 HydrophobicContact CD2-CB 4.5Å; Y765-F772 HydrophobicContact CE2-CB 4.16Å; Y765-F772 WeakPolarHBondContact CE2-O 3.35Å; Y765-F772 PolarHBondContact OH-O 3.05Å; K770-F772 VanDerWaalsContact C-N 3.27Å; K770-F772 PolarHBondContact O-N 2.87Å; F772-S774 VanDerWaalsContact C-N 3.3Å; F772-S774 PolarHBondContact O-N 2.95Å; F772-A777 HydrophobicContact CB-CB 4.01Å; F772-A778 HydrophobicContact CD2-CB 3.91Å; F772-A778 HydrophobicContact CE2-CB 4.22Å; F772-L781 HydrophobicContact CE2-CD2 3.89Å; F772-L781 HydrophobicContact CZ-CD2 3.71Å; F772-N817 WeakPolarHBondContact CB-OD1 3.43Å; F772-F822 AromaticContact CD1-CD1 3.86Å; F772-F822 HydrophobicContact CD1-CD1 3.86Å; F772-F822 AromaticContact CD1-CE1 3.92Å; F772-F822 HydrophobicContact CD1-CE1 3.92Å; F772-F822 AromaticContact CD2-CE1 3.92Å; F772-F822 HydrophobicContact CD2-CE1 3.92Å; F772-F822 AromaticContact CE1-CD1 3.72Å; F772-F822 HydrophobicContact CE1-CD1 3.72Å; F772-F822 HydrophobicContact CE1-CE1 4Å; F772-F822 HydrophobicContact CE2-CD1 4.46Å; F772-F822 AromaticContact CE2-CE1 3.99Å; F772-F822 HydrophobicContact CE2-CE1 3.99Å; F772-F822 HydrophobicContact CG-CD1 4.33Å; F772-F822 AromaticContact CG-CE1 3.9Å; F772-F822 HydrophobicContact CG-CE1 3.9Å; F772-F822 HydrophobicContact CZ-CD1 4.04Å; F772-F822 HydrophobicContact CZ-CE1 4.04Å; F772-M826 HydrophobicContact CE1-CE 4.03Å; F772-M826 HydrophobicContact CE1-SD 3.94Å; F772-M826 HydrophobicContact CZ-SD 3.93Å |
| 773 | D | 91.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -70.4 | -27.2 | -177.9 | -137.3 | 65.7 | 0 | 0 | 0 | 113.3 | N817 K820 | D773-N817 PolarHBondContact N-OD1 3.39Å; D773-K820 IonicContact OD1-NZ 2.69Å; D773-K820 PolarHBondContact OD1-NZ 3.34Å |
| 774 | S | 92.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | trans | -157.5 | 166.3 | 179.8 | 66.3 | 0 | 0 | 0 | 0 | 112 | F772 D776 A777 | F772-S774 VanDerWaalsContact C-N 3.3Å; F772-S774 PolarHBondContact O-N 2.95Å; S774-D776 VanDerWaalsContact C-N 3.31Å; S774-D776 PolarHBondContact OG-N 3.39Å; S774-A777 WeakPolarHBondContact O-CB 3.49Å; S774-A777 PolarHBondContact O-N 3.37Å; S774-A777 PolarHBondContact OG-N 3.47Å | ||
| 775 | A | 92.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -32.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D762 Y765 A777 A778 F779 | D762-A775 WeakPolarHBondContact OD1-CB 3.41Å; Y765-A775 HydrophobicContact CD1-CB 3.99Å; Y765-A775 HydrophobicContact CE1-CB 4.43Å; Y765-A775 HydrophobicContact CG-CB 4.25Å; A775-A777 PolarHBondContact O-N 3.46Å; A775-A778 CarbonylContact O-C 3.55Å; A775-A778 WeakPolarHBondContact O-CA 3.34Å; A775-A778 WeakPolarHBondContact O-CB 3.48Å; A775-A778 PolarHBondContact O-N 3.42Å; A775-F779 PolarHBondContact O-N 3.12Å |
| 776 | D | 93.6 | Very high | 93.5 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 63% | 0.631 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.6 | -34.5 | 170.7 | -79.4 | -35.3 | 0 | 0 | 0 | 112.2 | S774 F779 T780 | S774-D776 VanDerWaalsContact C-N 3.31Å; S774-D776 PolarHBondContact OG-N 3.39Å; D776-F779 PolarHBondContact O-N 3.19Å; D776-T780 VanDerWaalsContact O-CB 3.27Å; D776-T780 WeakPolarHBondContact O-CB 3.41Å; D776-T780 PolarHBondContact O-N 2.87Å; D776-T780 PolarHBondContact O-OG1 3.47Å |
| 777 | A | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F772 S774 A775 L781 F822 | F772-A777 HydrophobicContact CB-CB 4.01Å; S774-A777 WeakPolarHBondContact O-CB 3.49Å; S774-A777 PolarHBondContact O-N 3.37Å; S774-A777 PolarHBondContact OG-N 3.47Å; A775-A777 PolarHBondContact O-N 3.46Å; A777-L781 WeakPolarHBondContact O-CB 3.37Å; A777-L781 PolarHBondContact O-N 3.4Å; A777-F822 HydrophobicContact CB-CE1 4.08Å; A777-F822 HydrophobicContact CB-CZ 3.97Å; A777-F822 WeakPolarHBondContact O-CZ 3.5Å |
| 778 | A | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L733 A761 W764 F772 A775 L781 A782 | L733-A778 HydrophobicContact CD1-CB 4.14Å; A761-A778 HydrophobicContact CB-CB 4.07Å; W764-A778 HydrophobicContact CE3-CB 4.01Å; W764-A778 HydrophobicContact CZ3-CB 4.25Å; F772-A778 HydrophobicContact CD2-CB 3.91Å; F772-A778 HydrophobicContact CE2-CB 4.22Å; A775-A778 CarbonylContact O-C 3.55Å; A775-A778 WeakPolarHBondContact O-CA 3.34Å; A775-A778 WeakPolarHBondContact O-CB 3.48Å; A775-A778 PolarHBondContact O-N 3.42Å; A778-L781 PolarHBondContact O-N 3.22Å; A778-A782 WeakPolarHBondContact O-CB 3.48Å; A778-A782 PolarHBondContact O-N 3.15Å |
| 779 | F | 95.5 | Very high | 93.1 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.8 | -51.4 | 174.5 | 173.2 | -97.9 | 0 | 0 | 0 | 111.4 | S754 I757 E758 A761 A775 D776 L781 A782 Y783 | S754-F779 WeakPolarHBondContact O-CE2 3.29Å; I757-F779 HydrophobicContact CB-CD2 4.2Å; I757-F779 HydrophobicContact CB-CE2 3.98Å; I757-F779 HydrophobicContact CG2-CD2 3.78Å; I757-F779 HydrophobicContact CG2-CE2 3.95Å; E758-F779 HydrophobicContact CB-CD2 4.28Å; E758-F779 HydrophobicContact CB-CE2 4.32Å; A761-F779 HydrophobicContact CB-CB 3.76Å; A775-F779 PolarHBondContact O-N 3.12Å; D776-F779 PolarHBondContact O-N 3.19Å; F779-L781 VanDerWaalsContact C-N 3.3Å; F779-L781 PolarHBondContact O-N 3.36Å; F779-A782 PolarHBondContact O-N 3.1Å; F779-Y783 HydrophobicContact CE2-CD2 4.41Å; F779-Y783 AromaticContact CZ-CD2 4Å; F779-Y783 HydrophobicContact CZ-CD2 4Å; F779-Y783 PolarHBondContact O-N 3.37Å |
| 780 | T | 94.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | D776 Y783 A784 V816 | D776-T780 VanDerWaalsContact O-CB 3.27Å; D776-T780 WeakPolarHBondContact O-CB 3.41Å; D776-T780 PolarHBondContact O-N 2.87Å; D776-T780 PolarHBondContact O-OG1 3.47Å; T780-Y783 PolarHBondContact O-N 3.23Å; T780-A784 WeakPolarHBondContact O-CB 3.36Å; T780-A784 PolarHBondContact O-N 2.78Å; T780-V816 HydrophobicContact CG2-CB 4.11Å; T780-V816 HydrophobicContact CG2-CG1 4.18Å; T780-V816 HydrophobicContact CG2-CG2 4.41Å |
| 781 | L | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 177.8 | -174.3 | 59.5 | 0 | 0 | 0 | 112.1 | L733 F772 A777 A778 F779 A784 V785 L813 F822 L827 I830 | L733-L781 HydrophobicContact CD1-CB 4.45Å; L733-L781 HydrophobicContact CD1-CD2 4.32Å; L733-L781 HydrophobicContact CD2-CG 4.3Å; F772-L781 HydrophobicContact CE2-CD2 3.89Å; F772-L781 HydrophobicContact CZ-CD2 3.71Å; A777-L781 WeakPolarHBondContact O-CB 3.37Å; A777-L781 PolarHBondContact O-N 3.4Å; A778-L781 PolarHBondContact O-N 3.22Å; F779-L781 VanDerWaalsContact C-N 3.3Å; F779-L781 PolarHBondContact O-N 3.36Å; L781-A784 PolarHBondContact O-N 2.89Å; L781-V785 WeakPolarHBondContact O-CG2 3.42Å; L781-V785 PolarHBondContact O-N 3.4Å; L781-L813 HydrophobicContact CD1-CD1 3.65Å; L781-L813 HydrophobicContact CD1-CD2 4.32Å; L781-F822 HydrophobicContact CB-CE1 4.46Å; L781-F822 HydrophobicContact CB-CE2 4.48Å; L781-F822 HydrophobicContact CB-CZ 4.06Å; L781-F822 HydrophobicContact CD2-CD1 4.23Å; L781-F822 HydrophobicContact CD2-CE1 4.13Å; L781-F822 HydrophobicContact CD2-CZ 4.43Å; L781-L827 HydrophobicContact CD1-CD2 3.72Å; L781-I830 HydrophobicContact CD2-CD1 4.13Å |
| 782 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L733 L737 I757 F760 A778 F779 V785 I786 | L733-A782 HydrophobicContact CD2-CB 3.97Å; L737-A782 HydrophobicContact CD2-CB 4.4Å; I757-A782 HydrophobicContact CG2-CB 3.64Å; F760-A782 HydrophobicContact CD1-CB 4.24Å; F760-A782 HydrophobicContact CE1-CB 4.03Å; A778-A782 WeakPolarHBondContact O-CB 3.48Å; A778-A782 PolarHBondContact O-N 3.15Å; F779-A782 PolarHBondContact O-N 3.1Å; A782-V785 PolarHBondContact O-N 2.92Å; A782-I786 WeakPolarHBondContact O-CG1 3.47Å; A782-I786 PolarHBondContact O-N 3.22Å |
| 783 | Y | 92.5 | Very high | 92.7 | Very high | 79 Ų | 79 | 36.3 Ų | 36.3 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.5 | -147.4 | -77.5 | 0 | 0 | 0 | 111.7 | I753 F779 T780 V785 I786 M787 | I753-Y783 HydrophobicContact CG2-CE2 3.95Å; F779-Y783 HydrophobicContact CE2-CD2 4.41Å; F779-Y783 AromaticContact CZ-CD2 4Å; F779-Y783 HydrophobicContact CZ-CD2 4Å; F779-Y783 PolarHBondContact O-N 3.37Å; T780-Y783 PolarHBondContact O-N 3.23Å; Y783-V785 VanDerWaalsContact C-N 3.34Å; Y783-V785 PolarHBondContact O-N 3.3Å; Y783-I786 PolarHBondContact O-N 3.5Å; Y783-M787 HydrophobicContact CD1-CG 4.1Å; Y783-M787 HydrophobicContact CE1-CG 4.37Å; Y783-M787 VanDerWaalsContact O-CG 3.25Å; Y783-M787 WeakPolarHBondContact O-CG 3.49Å; Y783-M787 PolarHBondContact O-N 2.82Å |
| 784 | A | 94.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -34.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T780 L781 M787 L788 F809 L813 | T780-A784 WeakPolarHBondContact O-CB 3.36Å; T780-A784 PolarHBondContact O-N 2.78Å; L781-A784 PolarHBondContact O-N 2.89Å; A784-M787 PolarHBondContact O-N 2.77Å; A784-L788 WeakPolarHBondContact O-CB 3.35Å; A784-L788 PolarHBondContact O-N 2.9Å; A784-F809 HydrophobicContact CB-CE2 4.3Å; A784-L813 HydrophobicContact CB-CD2 3.87Å |
| 785 | V | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | 173.7 | 166.2 | 0 | 0 | 0 | 0 | 111.8 | L733 D734 L737 L781 A782 Y783 L788 N789 I830 I834 I839 | L733-V785 HydrophobicContact CD2-CG2 4.46Å; D734-V785 HydrophobicContact CB-CG1 4.4Å; L737-V785 HydrophobicContact CD2-CB 4.15Å; L737-V785 HydrophobicContact CD2-CG1 3.72Å; L781-V785 WeakPolarHBondContact O-CG2 3.42Å; L781-V785 PolarHBondContact O-N 3.4Å; A782-V785 PolarHBondContact O-N 2.92Å; Y783-V785 VanDerWaalsContact C-N 3.34Å; Y783-V785 PolarHBondContact O-N 3.3Å; V785-L788 PolarHBondContact O-N 3.22Å; V785-N789 PolarHBondContact O-N 3.16Å; V785-I830 HydrophobicContact CG2-CG2 3.53Å; V785-I834 HydrophobicContact CG1-CD1 3.61Å; V785-I834 HydrophobicContact CG1-CG1 3.96Å; V785-I839 HydrophobicContact CG1-CD1 4.25Å |
| 786 | I | 90.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.138 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.4 | -65.8 | 167.9 | 0 | 0 | 0 | 110.4 | L737 L741 L746 I757 A782 Y783 L788 N789 V790 | L737-I786 HydrophobicContact CD2-CD1 4.48Å; L737-I786 HydrophobicContact CD2-CG1 4.03Å; L741-I786 HydrophobicContact CD1-CD1 4.41Å; L741-I786 HydrophobicContact CD1-CG1 4.34Å; L746-I786 HydrophobicContact CD1-CD1 4.46Å; I757-I786 HydrophobicContact CD1-CD1 3.64Å; I757-I786 HydrophobicContact CG1-CD1 3.83Å; A782-I786 WeakPolarHBondContact O-CG1 3.47Å; A782-I786 PolarHBondContact O-N 3.22Å; Y783-I786 PolarHBondContact O-N 3.5Å; I786-L788 VanDerWaalsContact C-N 3.32Å; I786-L788 PolarHBondContact O-N 2.95Å; I786-N789 PolarHBondContact O-N 3.1Å; I786-N789 VanDerWaalsContact O-N 3.15Å; I786-V790 WeakPolarHBondContact O-CG2 3.39Å; I786-V790 PolarHBondContact O-N 3.09Å |
| 787 | M | 90.5 | Very high | 90.3 | Very high | 116 Ų | 116 | 36.3 Ų | 36.3 | 57% | 0.571 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -55.6 | -45.9 | 174.4 | -71.6 | -90 | -73.4 | 0 | 0 | 111.6 | Y783 A784 V790 D791 | Y783-M787 HydrophobicContact CD1-CG 4.1Å; Y783-M787 HydrophobicContact CE1-CG 4.37Å; Y783-M787 VanDerWaalsContact O-CG 3.25Å; Y783-M787 WeakPolarHBondContact O-CG 3.49Å; Y783-M787 PolarHBondContact O-N 2.82Å; A784-M787 PolarHBondContact O-N 2.77Å; M787-V790 PolarHBondContact O-N 3.08Å; M787-D791 WeakPolarHBondContact O-CB 3.46Å; M787-D791 PolarHBondContact O-N 3.41Å |
| 788 | L | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 176.7 | -176.2 | 69.2 | 0 | 0 | 0 | 112.1 | A784 V785 I786 D791 Q792 M804 F809 Y831 I834 | A784-L788 WeakPolarHBondContact O-CB 3.35Å; A784-L788 PolarHBondContact O-N 2.9Å; V785-L788 PolarHBondContact O-N 3.22Å; I786-L788 VanDerWaalsContact C-N 3.32Å; I786-L788 PolarHBondContact O-N 2.95Å; L788-D791 PolarHBondContact O-N 3.14Å; L788-Q792 HydrophobicContact CD1-CG 3.64Å; L788-Q792 HydrophobicContact CG-CG 3.91Å; L788-Q792 VanDerWaalsContact O-CB 3.28Å; L788-Q792 WeakPolarHBondContact O-CB 3.28Å; L788-Q792 WeakPolarHBondContact O-CG 3.29Å; L788-Q792 PolarHBondContact O-N 3.19Å; L788-M804 HydrophobicContact CD1-CB 4.24Å; L788-M804 HydrophobicContact CD1-SD 4.29Å; L788-F809 HydrophobicContact CB-CD2 4.32Å; L788-F809 HydrophobicContact CB-CE2 4.07Å; L788-F809 HydrophobicContact CD1-CD2 4.13Å; L788-F809 HydrophobicContact CD2-CD2 3.92Å; L788-F809 HydrophobicContact CD2-CE1 4.42Å; L788-F809 HydrophobicContact CD2-CE2 3.79Å; L788-F809 HydrophobicContact CD2-CG 4.31Å; L788-F809 HydrophobicContact CD2-CZ 4.05Å; L788-F809 HydrophobicContact CG-CD2 4.35Å; L788-F809 HydrophobicContact CG-CE2 4.38Å; L788-Y831 HydrophobicContact CD1-CD2 3.83Å; L788-Y831 HydrophobicContact CD1-CE2 3.83Å; L788-Y831 HydrophobicContact CD2-CD2 3.72Å; L788-Y831 HydrophobicContact CD2-CE2 4.49Å; L788-Y831 HydrophobicContact CD2-CG 4.37Å; L788-Y831 HydrophobicContact CG-CD2 4.42Å; L788-I834 HydrophobicContact CB-CG2 4.38Å; L788-I834 HydrophobicContact CD2-CB 3.96Å; L788-I834 HydrophobicContact CD2-CG1 4.37Å; L788-I834 HydrophobicContact CD2-CG2 4.02Å; L788-I834 HydrophobicContact CG-CB 4.45Å; L788-I834 HydrophobicContact CG-CG2 3.95Å |
| 789 | N | 90.9 | Very high | 88.5 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.7 | -172.6 | 72.1 | 0 | 0 | 0 | 111.8 | V785 I786 H793 I834 I839 | V785-N789 PolarHBondContact O-N 3.16Å; I786-N789 PolarHBondContact O-N 3.1Å; I786-N789 VanDerWaalsContact O-N 3.15Å; N789-H793 WeakPolarHBondContact O-CB 3.48Å; N789-H793 PolarHBondContact O-CD2 3.31Å; N789-H793 PolarHBondContact O-N 3.01Å; N789-H793 PolarHBondContact OD1-CD2 2.77Å; N789-I834 HydrophobicContact CB-CG2 3.93Å; N789-I839 PolarHBondContact OD1-N 3.33Å |
| 790 | V | 88.8 | Confident | 87.8 | Confident | 72 Ų | 72 | 55 Ų | 55 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 175 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | I786 M787 N794 | I786-V790 WeakPolarHBondContact O-CG2 3.39Å; I786-V790 PolarHBondContact O-N 3.09Å; M787-V790 PolarHBondContact O-N 3.08Å; V790-N794 HydrophobicContact CG1-CB 4.13Å; V790-N794 WeakPolarHBondContact O-CB 3.48Å; V790-N794 PolarHBondContact O-N 3.22Å |
| 791 | D | 91.5 | Very high | 87.2 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 177.6 | 166.8 | 88.3 | 0 | 0 | 0 | 113 | M787 L788 H793 P803 M804 | M787-D791 WeakPolarHBondContact O-CB 3.46Å; M787-D791 PolarHBondContact O-N 3.41Å; L788-D791 PolarHBondContact O-N 3.14Å; D791-H793 VanDerWaalsContact C-N 3.33Å; D791-H793 PolarHBondContact O-N 2.85Å; D791-P803 WeakPolarHBondContact OD1-CA 3.46Å; D791-M804 VanDerWaalsContact CG-N 3.35Å; D791-M804 PolarHBondContact OD1-N 3.48Å; D791-M804 VanDerWaalsContact OD1-N 3.12Å; D791-M804 WeakPolarHBondContact OD2-CB 3.42Å; D791-M804 PolarHBondContact OD2-N 2.85Å |
| 792 | Q | 90.9 | Very high | 86.7 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.9 | -19.8 | -174.2 | -66.5 | -66.9 | -64.5 | 0 | 0 | 113.6 | L788 K798 M804 R835 | L788-Q792 HydrophobicContact CD1-CG 3.64Å; L788-Q792 HydrophobicContact CG-CG 3.91Å; L788-Q792 VanDerWaalsContact O-CB 3.28Å; L788-Q792 WeakPolarHBondContact O-CB 3.28Å; L788-Q792 WeakPolarHBondContact O-CG 3.29Å; L788-Q792 PolarHBondContact O-N 3.19Å; Q792-K798 WeakPolarHBondContact O-CE 3.05Å; Q792-K798 PolarHBondContact O-NZ 3.32Å; Q792-M804 PolarHBondContact NE2-O 3.48Å; Q792-R835 HydrophobicContact CG-CB 4.46Å |
| 793 | H | 87.2 | Confident | 86.4 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 17% | 0.171 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -122 | -37.4 | -173.3 | -61.4 | -58.2 | 0 | 0 | 0 | 115.6 | N789 D791 P795 K798 I834 E838 | N789-H793 WeakPolarHBondContact O-CB 3.48Å; N789-H793 PolarHBondContact O-CD2 3.31Å; N789-H793 PolarHBondContact O-N 3.01Å; N789-H793 PolarHBondContact OD1-CD2 2.77Å; D791-H793 VanDerWaalsContact C-N 3.33Å; D791-H793 PolarHBondContact O-N 2.85Å; H793-P795 WeakPolarHBondContact O-CD 3.25Å; H793-K798 PolarHBondContact O-NZ 3.37Å; H793-I834 PolarHBondContact NE2-O 2.93Å; H793-E838 HydrophobicContact CB-CB 4.48Å; H793-E838 HydrophobicContact CB-CG 3.93Å |
| 794 | N | 83.4 | Confident | 86.3 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | trans | -60.8 | 118.9 | -174 | -174 | -21.8 | 0 | 0 | 0 | 111.5 | V790 T796 A797 K798 | V790-N794 HydrophobicContact CG1-CB 4.13Å; V790-N794 WeakPolarHBondContact O-CB 3.48Å; V790-N794 PolarHBondContact O-N 3.22Å; N794-T796 PolarHBondContact O-N 3.4Å; N794-T796 VanDerWaalsContact O-N 3.14Å; N794-T796 WeakPolarHBondContact OD1-CA 3.47Å; N794-T796 WeakPolarHBondContact OD1-CB 3.35Å; N794-T796 PolarHBondContact OD1-N 2.96Å; N794-T796 PolarHBondContact OD1-OG1 2.98Å; N794-A797 HydrophobicContact CB-CB 4.07Å; N794-A797 PolarHBondContact O-N 3.42Å; N794-A797 VanDerWaalsContact O-N 3.12Å; N794-K798 PolarHBondContact O-N 3.24Å | ||
| 795 | P | 78.2 | Confident | 86.2 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.2 | -179 | 28.2 | -35.8 | 0 | 0 | 0 | 113.1 | H793 K799 | H793-P795 WeakPolarHBondContact O-CD 3.25Å; P795-K799 WeakPolarHBondContact O-CG 3.39Å |
| 796 | T | 79.9 | Confident | 86.1 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -43.2 | 173.4 | -35.1 | 0 | 0 | 0 | 0 | 111 | N794 K799 Q800 | N794-T796 PolarHBondContact O-N 3.4Å; N794-T796 VanDerWaalsContact O-N 3.14Å; N794-T796 WeakPolarHBondContact OD1-CA 3.47Å; N794-T796 WeakPolarHBondContact OD1-CB 3.35Å; N794-T796 PolarHBondContact OD1-N 2.96Å; N794-T796 PolarHBondContact OD1-OG1 2.98Å; T796-K799 PolarHBondContact O-N 2.71Å; T796-Q800 PolarHBondContact O-N 2.92Å |
| 797 | A | 77 | Confident | 86.3 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 21% | 0.207 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N794 K799 Q800 Q801 | N794-A797 HydrophobicContact CB-CB 4.07Å; N794-A797 PolarHBondContact O-N 3.42Å; N794-A797 VanDerWaalsContact O-N 3.12Å; A797-K799 PolarHBondContact O-N 3.06Å; A797-Q800 PolarHBondContact O-N 3.37Å; A797-Q801 PolarHBondContact O-N 3.25Å |
| 798 | K | 76 | Confident | 86.4 | Confident | 100 Ų | 100 | 75.2 Ų | 75.2 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.2 | -20.1 | 176.2 | -74.9 | 171.8 | 178.8 | 161.7 | 0 | 115.4 | Q792 H793 N794 P803 | Q792-K798 WeakPolarHBondContact O-CE 3.05Å; Q792-K798 PolarHBondContact O-NZ 3.32Å; H793-K798 PolarHBondContact O-NZ 3.37Å; N794-K798 PolarHBondContact O-N 3.24Å; K798-P803 HydrophobicContact CG-CG 3.89Å |
| 799 | K | 77.5 | Confident | 86.4 | Confident | 185 Ų | 185 | 75.4 Ų | 75.4 | 80% | 0.804 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -89.2 | -18.8 | 175.2 | -77 | 177.5 | 179.7 | -176.6 | 0 | 113.3 | P795 T796 A797 | P795-K799 WeakPolarHBondContact O-CG 3.39Å; T796-K799 PolarHBondContact O-N 2.71Å; A797-K799 PolarHBondContact O-N 3.06Å |
| 800 | Q | 79.5 | Confident | 86.6 | Confident | 148 Ų | 148 | 76.1 Ų | 76.1 | 69% | 0.692 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -102.6 | -35.9 | -177.7 | -67.1 | 180 | -2.2 | 0 | 0 | 112.4 | T796 A797 | T796-Q800 PolarHBondContact O-N 2.92Å; A797-Q800 PolarHBondContact O-N 3.37Å |
| 801 | Q | 82.9 | Confident | 86.7 | Confident | 144 Ų | 144 | 79.2 Ų | 79.2 | 67% | 0.673 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -142.4 | 154.4 | -172.1 | -57.3 | -174.3 | 46.7 | 0 | 0 | 110.6 | A797 | A797-Q801 PolarHBondContact O-N 3.25Š|
| 802 | Q | 84.3 | Confident | 86.7 | Confident | 179 Ų | 179 | 82.6 Ų | 82.6 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 129.6 | 172.3 | -179.4 | 170.3 | -19.3 | 0 | 0 | 109.2 | ||
| 803 | P | 88.4 | Confident | 86.9 | Confident | 47 Ų | 47 | 82.3 Ų | 82.3 | 31% | 0.305 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 143.3 | -177.5 | -27 | 35.6 | 0 | 0 | 0 | 113.5 | D791 K798 | D791-P803 WeakPolarHBondContact OD1-CA 3.46Å; K798-P803 HydrophobicContact CG-CG 3.89Å |
| 804 | M | 90.3 | Very high | 87.1 | Confident | 44 Ų | 44 | 84.5 Ų | 84.5 | 22% | 0.217 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 134 | -177.2 | -166.7 | 179.9 | -61.2 | 0 | 0 | 112.4 | L788 D791 Q792 D808 F809 Y831 | L788-M804 HydrophobicContact CD1-CB 4.24Å; L788-M804 HydrophobicContact CD1-SD 4.29Å; D791-M804 VanDerWaalsContact CG-N 3.35Å; D791-M804 PolarHBondContact OD1-N 3.48Å; D791-M804 VanDerWaalsContact OD1-N 3.12Å; D791-M804 WeakPolarHBondContact OD2-CB 3.42Å; D791-M804 PolarHBondContact OD2-N 2.85Å; Q792-M804 PolarHBondContact NE2-O 3.48Å; M804-D808 HydrophobicContact CG-CB 3.72Å; M804-F809 HydrophobicContact CG-CB 4.39Å; M804-F809 HydrophobicContact SD-CB 3.85Å; M804-F809 HydrophobicContact SD-CD2 3.99Å; M804-F809 HydrophobicContact SD-CG 4.44Å; M804-Y831 WeakPolarHBondContact O-CE2 3.03Å; M804-Y831 PolarHBondContact O-OH 3.12Å |
| 805 | S | 93.5 | Very high | 87.5 | Confident | 39 Ų | 39 | 83.1 Ų | 83.1 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 165.6 | 174 | 79.6 | 0 | 0 | 0 | 0 | 111.7 | E807 D808 F809 | S805-E807 PolarHBondContact O-N 3.13Å; S805-E807 PolarHBondContact OG-N 3.47Å; S805-D808 WeakPolarHBondContact CB-OD2 3.09Å; S805-D808 PolarHBondContact O-N 3.32Å; S805-D808 VanDerWaalsContact OG-CG 3.25Å; S805-D808 PolarHBondContact OG-N 3.41Å; S805-D808 PolarHBondContact OG-OD2 2.88Å; S805-F809 WeakPolarHBondContact O-CB 3.47Å; S805-F809 PolarHBondContact O-N 2.89Å |
| 806 | L | 93.2 | Very high | 88.2 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 20% | 0.204 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 171 | 172.6 | 60.6 | 0 | 0 | 0 | 111.1 | F809 V810 E828 Y831 | L806-F809 PolarHBondContact O-N 2.74Å; L806-V810 HydrophobicContact CD1-CG2 4.16Å; L806-V810 WeakPolarHBondContact O-CG2 3.44Å; L806-V810 PolarHBondContact O-N 2.8Å; L806-E828 HydrophobicContact CD1-CB 4.17Å; L806-E828 HydrophobicContact CD1-CG 4.41Å; L806-E828 HydrophobicContact CD2-CB 4.44Å; L806-E828 HydrophobicContact CD2-CG 4.04Å; L806-Y831 HydrophobicContact CB-CD1 3.82Å; L806-Y831 HydrophobicContact CB-CE1 3.75Å; L806-Y831 HydrophobicContact CB-CG 4.28Å; L806-Y831 HydrophobicContact CD1-CD1 3.79Å; L806-Y831 HydrophobicContact CD1-CG 3.77Å; L806-Y831 HydrophobicContact CG-CD1 4.32Å; L806-Y831 VanDerWaalsContact N-CZ 3.33Å; L806-Y831 PolarHBondContact N-OH 3.06Å |
| 807 | E | 93.5 | Very high | 88.8 | Confident | 159 Ų | 159 | 78.7 Ų | 78.7 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.8 | -40.9 | -178.3 | -69.4 | 160.7 | -155.9 | 0 | 0 | 110.9 | S805 K811 | S805-E807 PolarHBondContact O-N 3.13Å; S805-E807 PolarHBondContact OG-N 3.47Å; E807-K811 WeakPolarHBondContact O-CB 3.34Å; E807-K811 PolarHBondContact O-N 3.17Å |
| 808 | D | 93 | Very high | 89.2 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 173.4 | -63.6 | -59.7 | 0 | 0 | 0 | 111.9 | M804 S805 K811 N812 | M804-D808 HydrophobicContact CG-CB 3.72Å; S805-D808 WeakPolarHBondContact CB-OD2 3.09Å; S805-D808 PolarHBondContact O-N 3.32Å; S805-D808 VanDerWaalsContact OG-CG 3.25Å; S805-D808 PolarHBondContact OG-N 3.41Å; S805-D808 PolarHBondContact OG-OD2 2.88Å; D808-K811 PolarHBondContact O-N 3.02Å; D808-N812 VanDerWaalsContact O-CB 3.3Å; D808-N812 WeakPolarHBondContact O-CB 3.41Å; D808-N812 PolarHBondContact O-N 3.45Å; D808-N812 PolarHBondContact O-ND2 3.02Å; D808-N812 VanDerWaalsContact O-ND2 3.13Å |
| 809 | F | 94.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 2% | 0.018 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.6 | -178.5 | -108.3 | 0 | 0 | 0 | 111.9 | A784 L788 M804 S805 L806 L813 L827 I830 Y831 | A784-F809 HydrophobicContact CB-CE2 4.3Å; L788-F809 HydrophobicContact CB-CD2 4.32Å; L788-F809 HydrophobicContact CB-CE2 4.07Å; L788-F809 HydrophobicContact CD1-CD2 4.13Å; L788-F809 HydrophobicContact CD2-CD2 3.92Å; L788-F809 HydrophobicContact CD2-CE1 4.42Å; L788-F809 HydrophobicContact CD2-CE2 3.79Å; L788-F809 HydrophobicContact CD2-CG 4.31Å; L788-F809 HydrophobicContact CD2-CZ 4.05Å; L788-F809 HydrophobicContact CG-CD2 4.35Å; L788-F809 HydrophobicContact CG-CE2 4.38Å; M804-F809 HydrophobicContact CG-CB 4.39Å; M804-F809 HydrophobicContact SD-CB 3.85Å; M804-F809 HydrophobicContact SD-CD2 3.99Å; M804-F809 HydrophobicContact SD-CG 4.44Å; S805-F809 WeakPolarHBondContact O-CB 3.47Å; S805-F809 PolarHBondContact O-N 2.89Å; L806-F809 PolarHBondContact O-N 2.74Å; F809-L813 HydrophobicContact CD1-CD1 4.21Å; F809-L813 HydrophobicContact CD2-CD1 4.3Å; F809-L813 HydrophobicContact CE1-CD1 3.76Å; F809-L813 HydrophobicContact CE2-CD1 3.84Å; F809-L813 HydrophobicContact CG-CD1 4.47Å; F809-L813 HydrophobicContact CZ-CD1 3.56Å; F809-L813 WeakPolarHBondContact O-CG 3.29Å; F809-L813 PolarHBondContact O-N 3.47Å; F809-L827 HydrophobicContact CE1-CB 4.43Å; F809-L827 HydrophobicContact CE1-CD2 4.23Å; F809-I830 HydrophobicContact CE1-CG2 4.21Å; F809-I830 HydrophobicContact CZ-CG2 4.11Å; F809-Y831 HydrophobicContact CB-CD2 3.83Å; F809-Y831 HydrophobicContact CB-CE2 4.35Å; F809-Y831 HydrophobicContact CD1-CD2 4.15Å; F809-Y831 HydrophobicContact CD1-CG 4.46Å; F809-Y831 HydrophobicContact CG-CD2 4.01Å |
| 810 | V | 93.8 | Very high | 90.3 | Very high | 39 Ų | 39 | 74.6 Ų | 74.6 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 174.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | L806 N812 L813 N814 L827 | L806-V810 HydrophobicContact CD1-CG2 4.16Å; L806-V810 WeakPolarHBondContact O-CG2 3.44Å; L806-V810 PolarHBondContact O-N 2.8Å; V810-N812 PolarHBondContact O-N 2.87Å; V810-L813 CarbonylContact O-C 3.54Å; V810-L813 PolarHBondContact O-N 2.92Å; V810-L813 VanDerWaalsContact O-N 3.09Å; V810-N814 PolarHBondContact O-N 3.03Å; V810-L827 HydrophobicContact CB-CD1 4.42Å; V810-L827 HydrophobicContact CG1-CD1 4.35Å; V810-L827 HydrophobicContact CG2-CB 3.98Å; V810-L827 HydrophobicContact CG2-CD1 4.09Å |
| 811 | K | 92.6 | Very high | 90.9 | Very high | 137 Ų | 137 | 71.7 Ų | 71.7 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 180 | 177.8 | -176.8 | 171.7 | -167.7 | 0 | 113 | E807 D808 L813 N814 | E807-K811 WeakPolarHBondContact O-CB 3.34Å; E807-K811 PolarHBondContact O-N 3.17Å; D808-K811 PolarHBondContact O-N 3.02Å; K811-L813 PolarHBondContact O-N 3.06Å; K811-N814 WeakPolarHBondContact CA-ND2 3.41Å; K811-N814 PolarHBondContact O-N 3.39Å; K811-N814 PolarHBondContact O-ND2 3.18Å |
| 812 | N | 91.7 | Very high | 91.5 | Very high | 101 Ų | 101 | 65.3 Ų | 65.3 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.4 | -16.7 | 176 | -69.6 | -23.5 | 0 | 0 | 0 | 113 | D808 V810 | D808-N812 VanDerWaalsContact O-CB 3.3Å; D808-N812 WeakPolarHBondContact O-CB 3.41Å; D808-N812 PolarHBondContact O-N 3.45Å; D808-N812 PolarHBondContact O-ND2 3.02Å; D808-N812 VanDerWaalsContact O-ND2 3.13Å; V810-N812 PolarHBondContact O-N 2.87Å |
| 813 | L | 93.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 14.3 | -179.8 | -68.5 | 172.2 | 0 | 0 | 0 | 113.6 | L781 A784 F809 V810 K811 V816 F822 L827 | L781-L813 HydrophobicContact CD1-CD1 3.65Å; L781-L813 HydrophobicContact CD1-CD2 4.32Å; A784-L813 HydrophobicContact CB-CD2 3.87Å; F809-L813 HydrophobicContact CD1-CD1 4.21Å; F809-L813 HydrophobicContact CD2-CD1 4.3Å; F809-L813 HydrophobicContact CE1-CD1 3.76Å; F809-L813 HydrophobicContact CE2-CD1 3.84Å; F809-L813 HydrophobicContact CG-CD1 4.47Å; F809-L813 HydrophobicContact CZ-CD1 3.56Å; F809-L813 WeakPolarHBondContact O-CG 3.29Å; F809-L813 PolarHBondContact O-N 3.47Å; V810-L813 CarbonylContact O-C 3.54Å; V810-L813 PolarHBondContact O-N 2.92Å; V810-L813 VanDerWaalsContact O-N 3.09Å; K811-L813 PolarHBondContact O-N 3.06Å; L813-V816 HydrophobicContact CB-CG2 4.3Å; L813-V816 HydrophobicContact CD2-CG2 4.02Å; L813-V816 VanDerWaalsContact O-CG2 3.31Å; L813-V816 WeakPolarHBondContact O-CG2 3.46Å; L813-F822 HydrophobicContact CB-CD2 4.24Å; L813-F822 HydrophobicContact CD2-CE2 4.32Å; L813-L827 HydrophobicContact CB-CD1 4.03Å; L813-L827 HydrophobicContact CD1-CD1 4.09Å; L813-L827 HydrophobicContact CD1-CD2 3.74Å |
| 814 | N | 92.9 | Very high | 91.9 | Very high | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -70.8 | 138.5 | 169.4 | -76.6 | -49.2 | 0 | 0 | 0 | 111.3 | V810 K811 V816 N821 | V810-N814 PolarHBondContact O-N 3.03Å; K811-N814 WeakPolarHBondContact CA-ND2 3.41Å; K811-N814 PolarHBondContact O-N 3.39Å; K811-N814 PolarHBondContact O-ND2 3.18Å; N814-V816 PolarHBondContact O-N 2.8Å; N814-V816 VanDerWaalsContact O-N 3.09Å; N814-N821 VanDerWaalsContact CA-OD1 3.32Å; N814-N821 WeakPolarHBondContact CA-OD1 3.26Å; N814-N821 VanDerWaalsContact OD1-CG 3.3Å; N814-N821 PolarHBondContact OD1-ND2 2.7Å; N814-N821 PolarHBondContact OD1-OD1 3.28Å |
| 815 | G | 91.4 | Very high | 91.9 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 72.6 | -11.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117 | N817 G819 K820 N821 | G815-N817 VanDerWaalsContact C-N 3.34Å; G815-N817 PolarHBondContact O-N 3.46Å; G815-G819 CarbonylContact O-C 3.47Å; G815-G819 WeakPolarHBondContact O-CA 3.45Å; G815-G819 PolarHBondContact O-N 3.37Å; G815-K820 CarbonylContact C-O 3.52Å; G815-K820 WeakPolarHBondContact CA-O 3.47Å; G815-K820 PolarHBondContact N-O 2.93Å; G815-N821 PolarHBondContact N-OD1 2.84Å |
| 816 | V | 91.7 | Very high | 92 | Very high | 56 Ų | 56 | 62.7 Ų | 62.7 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.2 | -177.4 | -82.4 | 0 | 0 | 0 | 0 | 114.9 | T780 L813 N814 G818 K820 F822 | T780-V816 HydrophobicContact CG2-CB 4.11Å; T780-V816 HydrophobicContact CG2-CG1 4.18Å; T780-V816 HydrophobicContact CG2-CG2 4.41Å; L813-V816 HydrophobicContact CB-CG2 4.3Å; L813-V816 HydrophobicContact CD2-CG2 4.02Å; L813-V816 VanDerWaalsContact O-CG2 3.31Å; L813-V816 WeakPolarHBondContact O-CG2 3.46Å; N814-V816 PolarHBondContact O-N 2.8Å; N814-V816 VanDerWaalsContact O-N 3.09Å; V816-G818 VanDerWaalsContact C-N 3.34Å; V816-G818 PolarHBondContact O-N 3.42Å; V816-K820 PolarHBondContact N-O 2.87Å; V816-F822 HydrophobicContact CG2-CE2 3.9Å |
| 817 | N | 92.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -89.4 | 67.9 | 171.8 | -175.6 | 24.2 | 0 | 0 | 0 | 110.2 | F772 D773 G815 G819 K820 N821 F822 | F772-N817 WeakPolarHBondContact CB-OD1 3.43Å; D773-N817 PolarHBondContact N-OD1 3.39Å; G815-N817 VanDerWaalsContact C-N 3.34Å; G815-N817 PolarHBondContact O-N 3.46Å; N817-G819 VanDerWaalsContact C-N 3.35Å; N817-G819 PolarHBondContact O-N 3.26Å; N817-K820 HydrophobicContact CB-CB 4.49Å; N817-K820 WeakPolarHBondContact CB-O 3.39Å; N817-K820 PolarHBondContact N-O 3.26Å; N817-K820 WeakPolarHBondContact O-CA 3.42Å; N817-K820 VanDerWaalsContact O-CB 3.22Å; N817-K820 WeakPolarHBondContact O-CB 3.43Å; N817-K820 PolarHBondContact O-N 3.09Å; N817-N821 PolarHBondContact ND2-O 2.9Å; N817-N821 VanDerWaalsContact ND2-O 3.08Å; N817-F822 HydrophobicContact CB-CD1 3.96Å; N817-F822 HydrophobicContact CB-CD2 4.28Å; N817-F822 HydrophobicContact CB-CE1 3.81Å; N817-F822 HydrophobicContact CB-CE2 4.15Å; N817-F822 HydrophobicContact CB-CG 4.2Å; N817-F822 HydrophobicContact CB-CZ 3.91Å |
| 818 | G | 86.9 | Confident | 92.1 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 35.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V816 K820 | V816-G818 VanDerWaalsContact C-N 3.34Å; V816-G818 PolarHBondContact O-N 3.42Å; G818-K820 VanDerWaalsContact C-N 3.28Å |
| 819 | G | 87 | Confident | 92.1 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 68% | 0.68 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -7.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G815 N817 | G815-G819 CarbonylContact O-C 3.47Å; G815-G819 WeakPolarHBondContact O-CA 3.45Å; G815-G819 PolarHBondContact O-N 3.37Å; N817-G819 VanDerWaalsContact C-N 3.35Å; N817-G819 PolarHBondContact O-N 3.26Å |
| 820 | K | 89.9 | Confident | 92.2 | Very high | 118 Ų | 118 | 58 Ų | 58 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -100.4 | 174.3 | 174.8 | -52.4 | 161.1 | -173.6 | 163.8 | 0 | 110.3 | D773 G815 V816 N817 G818 | D773-K820 IonicContact OD1-NZ 2.69Å; D773-K820 PolarHBondContact OD1-NZ 3.34Å; G815-K820 CarbonylContact C-O 3.52Å; G815-K820 WeakPolarHBondContact CA-O 3.47Å; G815-K820 PolarHBondContact N-O 2.93Å; V816-K820 PolarHBondContact N-O 2.87Å; N817-K820 HydrophobicContact CB-CB 4.49Å; N817-K820 WeakPolarHBondContact CB-O 3.39Å; N817-K820 PolarHBondContact N-O 3.26Å; N817-K820 WeakPolarHBondContact O-CA 3.42Å; N817-K820 VanDerWaalsContact O-CB 3.22Å; N817-K820 WeakPolarHBondContact O-CB 3.43Å; N817-K820 PolarHBondContact O-N 3.09Å; G818-K820 VanDerWaalsContact C-N 3.28Å |
| 821 | N | 92 | Very high | 92.3 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 163.5 | 168.9 | -66.7 | -3 | 0 | 0 | 0 | 110.6 | N814 G815 N817 | N814-N821 VanDerWaalsContact CA-OD1 3.32Å; N814-N821 WeakPolarHBondContact CA-OD1 3.26Å; N814-N821 VanDerWaalsContact OD1-CG 3.3Å; N814-N821 PolarHBondContact OD1-ND2 2.7Å; N814-N821 PolarHBondContact OD1-OD1 3.28Å; G815-N821 PolarHBondContact N-OD1 2.84Å; N817-N821 PolarHBondContact ND2-O 2.9Å; N817-N821 VanDerWaalsContact ND2-O 3.08Å |
| 822 | F | 93.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 168.1 | 161.8 | -60.2 | -81 | 0 | 0 | 0 | 110.7 | F772 A777 L781 L813 V816 N817 P824 L827 | F772-F822 AromaticContact CD1-CD1 3.86Å; F772-F822 HydrophobicContact CD1-CD1 3.86Å; F772-F822 AromaticContact CD1-CE1 3.92Å; F772-F822 HydrophobicContact CD1-CE1 3.92Å; F772-F822 AromaticContact CD2-CE1 3.92Å; F772-F822 HydrophobicContact CD2-CE1 3.92Å; F772-F822 AromaticContact CE1-CD1 3.72Å; F772-F822 HydrophobicContact CE1-CD1 3.72Å; F772-F822 HydrophobicContact CE1-CE1 4Å; F772-F822 HydrophobicContact CE2-CD1 4.46Å; F772-F822 AromaticContact CE2-CE1 3.99Å; F772-F822 HydrophobicContact CE2-CE1 3.99Å; F772-F822 HydrophobicContact CG-CD1 4.33Å; F772-F822 AromaticContact CG-CE1 3.9Å; F772-F822 HydrophobicContact CG-CE1 3.9Å; F772-F822 HydrophobicContact CZ-CD1 4.04Å; F772-F822 HydrophobicContact CZ-CE1 4.04Å; A777-F822 HydrophobicContact CB-CE1 4.08Å; A777-F822 HydrophobicContact CB-CZ 3.97Å; A777-F822 WeakPolarHBondContact O-CZ 3.5Å; L781-F822 HydrophobicContact CB-CE1 4.46Å; L781-F822 HydrophobicContact CB-CE2 4.48Å; L781-F822 HydrophobicContact CB-CZ 4.06Å; L781-F822 HydrophobicContact CD2-CD1 4.23Å; L781-F822 HydrophobicContact CD2-CE1 4.13Å; L781-F822 HydrophobicContact CD2-CZ 4.43Å; L813-F822 HydrophobicContact CB-CD2 4.24Å; L813-F822 HydrophobicContact CD2-CE2 4.32Å; V816-F822 HydrophobicContact CG2-CE2 3.9Å; N817-F822 HydrophobicContact CB-CD1 3.96Å; N817-F822 HydrophobicContact CB-CD2 4.28Å; N817-F822 HydrophobicContact CB-CE1 3.81Å; N817-F822 HydrophobicContact CB-CE2 4.15Å; N817-F822 HydrophobicContact CB-CG 4.2Å; N817-F822 HydrophobicContact CB-CZ 3.91Å; F822-P824 WeakPolarHBondContact O-CD 3.45Å; F822-L827 HydrophobicContact CB-CD1 4.1Å; F822-L827 HydrophobicContact CB-CD2 4.04Å; F822-L827 HydrophobicContact CB-CG 4Å; F822-L827 HydrophobicContact CD2-CD2 4.49Å; F822-L827 HydrophobicContact CG-CD2 4.44Å |
| 823 | D | 91.8 | Very high | 92.5 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 122.7 | 171.4 | 166.7 | 37.9 | 0 | 0 | 0 | 111 | G825 M826 L827 | D823-G825 PolarHBondContact O-N 3.22Å; D823-G825 PolarHBondContact OD1-N 3.41Å; D823-G825 PolarHBondContact OD2-N 3.18Å; D823-M826 HydrophobicContact CB-CB 3.97Å; D823-M826 WeakPolarHBondContact O-CB 3.24Å; D823-M826 PolarHBondContact O-N 2.96Å; D823-M826 WeakPolarHBondContact OD2-CB 3.45Å; D823-M826 PolarHBondContact OD2-N 2.95Å; D823-L827 PolarHBondContact O-N 3.42Å |
| 824 | P | 89.5 | Confident | 92.5 | Very high | 87 Ų | 87 | 45.9 Ų | 45.9 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.3 | -32.8 | 175.6 | -24.7 | 35.2 | 0 | 0 | 0 | 113.7 | F822 L827 E828 | F822-P824 WeakPolarHBondContact O-CD 3.45Å; P824-L827 PolarHBondContact O-N 3.12Å; P824-E828 WeakPolarHBondContact O-CB 3.39Å; P824-E828 PolarHBondContact O-N 3.35Å |
| 825 | G | 91.7 | Very high | 92.4 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D823 E828 K829 | D823-G825 PolarHBondContact O-N 3.22Å; D823-G825 PolarHBondContact OD1-N 3.41Å; D823-G825 PolarHBondContact OD2-N 3.18Å; G825-E828 PolarHBondContact O-N 3.45Å; G825-K829 WeakPolarHBondContact O-CG 3.39Å; G825-K829 PolarHBondContact O-N 3.38Å |
| 826 | M | 93.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 23% | 0.232 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 171.2 | -171.1 | -167.3 | -59.7 | 0 | 0 | 111.3 | F772 D823 E828 K829 I830 | F772-M826 HydrophobicContact CE1-CE 4.03Å; F772-M826 HydrophobicContact CE1-SD 3.94Å; F772-M826 HydrophobicContact CZ-SD 3.93Å; D823-M826 HydrophobicContact CB-CB 3.97Å; D823-M826 WeakPolarHBondContact O-CB 3.24Å; D823-M826 PolarHBondContact O-N 2.96Å; D823-M826 WeakPolarHBondContact OD2-CB 3.45Å; D823-M826 PolarHBondContact OD2-N 2.95Å; M826-E828 VanDerWaalsContact C-N 3.34Å; M826-E828 PolarHBondContact O-N 3.35Å; M826-K829 PolarHBondContact O-N 2.81Å; M826-I830 HydrophobicContact CG-CD1 4Å; M826-I830 HydrophobicContact CG-CG1 4.5Å; M826-I830 WeakPolarHBondContact O-CB 3.41Å; M826-I830 VanDerWaalsContact O-CG1 3.3Å; M826-I830 WeakPolarHBondContact O-CG1 3.36Å; M826-I830 PolarHBondContact O-N 2.81Å; M826-I830 HydrophobicContact SD-CD1 4.44Å |
| 827 | L | 95.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 179 | -66.8 | -171.2 | 0 | 0 | 0 | 112.4 | L781 F809 V810 L813 F822 D823 P824 I830 Y831 | L781-L827 HydrophobicContact CD1-CD2 3.72Å; F809-L827 HydrophobicContact CE1-CB 4.43Å; F809-L827 HydrophobicContact CE1-CD2 4.23Å; V810-L827 HydrophobicContact CB-CD1 4.42Å; V810-L827 HydrophobicContact CG1-CD1 4.35Å; V810-L827 HydrophobicContact CG2-CB 3.98Å; V810-L827 HydrophobicContact CG2-CD1 4.09Å; L813-L827 HydrophobicContact CB-CD1 4.03Å; L813-L827 HydrophobicContact CD1-CD1 4.09Å; L813-L827 HydrophobicContact CD1-CD2 3.74Å; F822-L827 HydrophobicContact CB-CD1 4.1Å; F822-L827 HydrophobicContact CB-CD2 4.04Å; F822-L827 HydrophobicContact CB-CG 4Å; F822-L827 HydrophobicContact CD2-CD2 4.49Å; F822-L827 HydrophobicContact CG-CD2 4.44Å; D823-L827 PolarHBondContact O-N 3.42Å; P824-L827 PolarHBondContact O-N 3.12Å; L827-I830 PolarHBondContact O-N 3.4Å; L827-Y831 VanDerWaalsContact O-CB 3.31Å; L827-Y831 WeakPolarHBondContact O-CB 3.34Å; L827-Y831 PolarHBondContact O-N 3.4Å |
| 828 | E | 94.6 | Very high | 91.7 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 172.9 | 176.5 | 166.8 | -149 | 0 | 0 | 111.9 | K225 L806 P824 G825 M826 I830 Y831 L832 | K225-E828 WeakPolarHBondContact CE-OE1 3.39Å; K225-E828 IonicContact NZ-OE1 3.08Å; K225-E828 PolarHBondContact NZ-OE1 3.45Å; L806-E828 HydrophobicContact CD1-CB 4.17Å; L806-E828 HydrophobicContact CD1-CG 4.41Å; L806-E828 HydrophobicContact CD2-CB 4.44Å; L806-E828 HydrophobicContact CD2-CG 4.04Å; P824-E828 WeakPolarHBondContact O-CB 3.39Å; P824-E828 PolarHBondContact O-N 3.35Å; G825-E828 PolarHBondContact O-N 3.45Å; M826-E828 VanDerWaalsContact C-N 3.34Å; M826-E828 PolarHBondContact O-N 3.35Å; E828-I830 PolarHBondContact O-N 3.15Å; E828-Y831 PolarHBondContact O-N 3.3Å; E828-L832 HydrophobicContact CG-CD1 3.65Å; E828-L832 HydrophobicContact CG-CG 4.18Å; E828-L832 WeakPolarHBondContact O-CB 3.38Å; E828-L832 VanDerWaalsContact O-CG 3.29Å; E828-L832 WeakPolarHBondContact O-CG 3.38Å; E828-L832 PolarHBondContact O-N 3.38Å |
| 829 | K | 93.6 | Very high | 91.7 | Very high | 106 Ų | 106 | 47.7 Ų | 47.7 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.1 | -74.1 | -179.8 | 178.3 | -174.3 | 0 | 112 | G825 M826 S833 | G825-K829 WeakPolarHBondContact O-CG 3.39Å; G825-K829 PolarHBondContact O-N 3.38Å; M826-K829 PolarHBondContact O-N 2.81Å; K829-S833 WeakPolarHBondContact O-CB 3.11Å; K829-S833 PolarHBondContact O-N 3.16Å |
| 830 | I | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -53 | 175.3 | -70.3 | 175.1 | 0 | 0 | 0 | 110.6 | D734 L781 V785 F809 M826 L827 E828 L832 S833 I834 | D734-I830 HydrophobicContact CB-CG1 4.34Å; D734-I830 HydrophobicContact CB-CG2 4.27Å; D734-I830 WeakPolarHBondContact OD1-CG1 3.28Å; L781-I830 HydrophobicContact CD2-CD1 4.13Å; V785-I830 HydrophobicContact CG2-CG2 3.53Å; F809-I830 HydrophobicContact CE1-CG2 4.21Å; F809-I830 HydrophobicContact CZ-CG2 4.11Å; M826-I830 HydrophobicContact CG-CD1 4Å; M826-I830 HydrophobicContact CG-CG1 4.5Å; M826-I830 WeakPolarHBondContact O-CB 3.41Å; M826-I830 VanDerWaalsContact O-CG1 3.3Å; M826-I830 WeakPolarHBondContact O-CG1 3.36Å; M826-I830 PolarHBondContact O-N 2.81Å; M826-I830 HydrophobicContact SD-CD1 4.44Å; L827-I830 PolarHBondContact O-N 3.4Å; E828-I830 PolarHBondContact O-N 3.15Å; I830-L832 VanDerWaalsContact C-N 3.35Å; I830-L832 PolarHBondContact O-N 3.26Å; I830-S833 WeakPolarHBondContact O-CB 3.3Å; I830-S833 PolarHBondContact O-N 3.14Å; I830-I834 HydrophobicContact CG2-CG1 4.5Å; I830-I834 WeakPolarHBondContact O-CG1 3.28Å; I830-I834 PolarHBondContact O-N 2.97Å |
| 831 | Y | 96.2 | Very high | 90.6 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -46 | -179.1 | 174.2 | -89.5 | 0 | 0 | 0 | 111.7 | L788 M804 L806 F809 L827 E828 R835 | L788-Y831 HydrophobicContact CD1-CD2 3.83Å; L788-Y831 HydrophobicContact CD1-CE2 3.83Å; L788-Y831 HydrophobicContact CD2-CD2 3.72Å; L788-Y831 HydrophobicContact CD2-CE2 4.49Å; L788-Y831 HydrophobicContact CD2-CG 4.37Å; L788-Y831 HydrophobicContact CG-CD2 4.42Å; M804-Y831 WeakPolarHBondContact O-CE2 3.03Å; M804-Y831 PolarHBondContact O-OH 3.12Å; L806-Y831 HydrophobicContact CB-CD1 3.82Å; L806-Y831 HydrophobicContact CB-CE1 3.75Å; L806-Y831 HydrophobicContact CB-CG 4.28Å; L806-Y831 HydrophobicContact CD1-CD1 3.79Å; L806-Y831 HydrophobicContact CD1-CG 3.77Å; L806-Y831 HydrophobicContact CG-CD1 4.32Å; L806-Y831 VanDerWaalsContact N-CZ 3.33Å; L806-Y831 PolarHBondContact N-OH 3.06Å; F809-Y831 HydrophobicContact CB-CD2 3.83Å; F809-Y831 HydrophobicContact CB-CE2 4.35Å; F809-Y831 HydrophobicContact CD1-CD2 4.15Å; F809-Y831 HydrophobicContact CD1-CG 4.46Å; F809-Y831 HydrophobicContact CG-CD2 4.01Å; L827-Y831 VanDerWaalsContact O-CB 3.31Å; L827-Y831 WeakPolarHBondContact O-CB 3.34Å; L827-Y831 PolarHBondContact O-N 3.4Å; E828-Y831 PolarHBondContact O-N 3.3Å; Y831-R835 HydrophobicContact CE1-CB 4.47Å; Y831-R835 WeakPolarHBondContact O-CB 3.49Å; Y831-R835 PolarHBondContact O-N 2.77Å |
| 832 | L | 94.7 | Very high | 89.4 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.1 | -33.5 | 178.5 | -65.6 | 175.3 | 0 | 0 | 0 | 112.2 | H221 E828 I830 N836 | H221-L832 HydrophobicContact CB-CD1 3.78Å; H221-L832 VanDerWaalsContact ND1-CB 3.27Å; H221-L832 WeakPolarHBondContact ND1-CB 3.37Å; E828-L832 HydrophobicContact CG-CD1 3.65Å; E828-L832 HydrophobicContact CG-CG 4.18Å; E828-L832 WeakPolarHBondContact O-CB 3.38Å; E828-L832 VanDerWaalsContact O-CG 3.29Å; E828-L832 WeakPolarHBondContact O-CG 3.38Å; E828-L832 PolarHBondContact O-N 3.38Å; I830-L832 VanDerWaalsContact C-N 3.35Å; I830-L832 PolarHBondContact O-N 3.26Å; L832-N836 WeakPolarHBondContact O-CB 3.25Å; L832-N836 PolarHBondContact O-N 3.22Å; L832-N836 PolarHBondContact O-ND2 3.35Å; L832-N836 PolarHBondContact O-OD1 3.25Å |
| 833 | S | 93.7 | Very high | 88.2 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -57 | 171.2 | 163 | 0 | 0 | 0 | 0 | 110.9 | D734 R738 K829 I830 N836 Q837 | D734-S833 WeakPolarHBondContact OD2-CB 3.37Å; D734-S833 PolarHBondContact OD2-OG 3.47Å; R738-S833 PolarHBondContact NH2-O 3.27Å; R738-S833 PolarHBondContact NH2-OG 3.3Å; R738-S833 VanDerWaalsContact NH2-OG 3.1Å; K829-S833 WeakPolarHBondContact O-CB 3.11Å; K829-S833 PolarHBondContact O-N 3.16Å; I830-S833 WeakPolarHBondContact O-CB 3.3Å; I830-S833 PolarHBondContact O-N 3.14Å; S833-N836 PolarHBondContact O-N 2.82Å; S833-Q837 PolarHBondContact O-N 2.93Å |
| 834 | I | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -48.1 | -179.2 | -61.3 | -61.9 | 0 | 0 | 0 | 110.7 | D734 V785 L788 N789 H793 I830 N836 Q837 I839 | D734-I834 HydrophobicContact CB-CD1 4.27Å; V785-I834 HydrophobicContact CG1-CD1 3.61Å; V785-I834 HydrophobicContact CG1-CG1 3.96Å; L788-I834 HydrophobicContact CB-CG2 4.38Å; L788-I834 HydrophobicContact CD2-CB 3.96Å; L788-I834 HydrophobicContact CD2-CG1 4.37Å; L788-I834 HydrophobicContact CD2-CG2 4.02Å; L788-I834 HydrophobicContact CG-CB 4.45Å; L788-I834 HydrophobicContact CG-CG2 3.95Å; N789-I834 HydrophobicContact CB-CG2 3.93Å; H793-I834 PolarHBondContact NE2-O 2.93Å; I830-I834 HydrophobicContact CG2-CG1 4.5Å; I830-I834 WeakPolarHBondContact O-CG1 3.28Å; I830-I834 PolarHBondContact O-N 2.97Å; I834-N836 VanDerWaalsContact C-N 3.26Å; I834-N836 PolarHBondContact O-N 2.86Å; I834-Q837 CarbonylContact O-C 3.58Å; I834-Q837 PolarHBondContact O-N 3.36Å; I834-Q837 VanDerWaalsContact O-O 3.11Å; I834-I839 HydrophobicContact CD1-CD1 3.7Å; I834-I839 HydrophobicContact CD1-CG1 3.88Å |
| 835 | R | 91.5 | Very high | 86.5 | Confident | 61 Ų | 61 | 40 Ų | 40 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -33.6 | 177.8 | -179.2 | 169.5 | 179.6 | -156.4 | -8.7 | 112.7 | R224 N228 Q792 Y831 | R224-R835 VanDerWaalsContact NH1-C 3.31Å; R224-R835 PolarHBondContact NH1-O 3.18Å; N228-R835 PolarHBondContact OD1-NH2 3.4Å; Q792-R835 HydrophobicContact CG-CB 4.46Å; Y831-R835 HydrophobicContact CE1-CB 4.47Å; Y831-R835 WeakPolarHBondContact O-CB 3.49Å; Y831-R835 PolarHBondContact O-N 2.77Å |
| 836 | N | 87.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 43 Ų | 43 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -84.6 | -27.3 | -178 | -70.3 | -6.2 | 0 | 0 | 0 | 114.6 | K220 R224 L832 S833 I834 | K220-N836 PolarHBondContact O-ND2 3.48Å; R224-N836 WeakPolarHBondContact CD-OD1 3.45Å; R224-N836 PolarHBondContact NH1-OD1 2.81Å; L832-N836 WeakPolarHBondContact O-CB 3.25Å; L832-N836 PolarHBondContact O-N 3.22Å; L832-N836 PolarHBondContact O-ND2 3.35Å; L832-N836 PolarHBondContact O-OD1 3.25Å; S833-N836 PolarHBondContact O-N 2.82Å; I834-N836 VanDerWaalsContact C-N 3.26Å; I834-N836 PolarHBondContact O-N 2.86Å |
| 837 | Q | 85.2 | Confident | 84.6 | Confident | 103 Ų | 103 | 42.7 Ų | 42.7 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -143.8 | 112.8 | -174.9 | -174.1 | 172.5 | -8 | 0 | 0 | 108.6 | R738 S833 I834 | R738-Q837 VanDerWaalsContact CZ-O 3.27Å; R738-Q837 PolarHBondContact NH1-O 2.94Å; R738-Q837 PolarHBondContact NH2-O 3.46Å; S833-Q837 PolarHBondContact O-N 2.93Å; I834-Q837 CarbonylContact O-C 3.58Å; I834-Q837 PolarHBondContact O-N 3.36Å; I834-Q837 VanDerWaalsContact O-O 3.11Å |
| 838 | E | 86.5 | Confident | 83.6 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | trans | -59.3 | 143.8 | 176.5 | -174.9 | -175.3 | 154.4 | 0 | 0 | 111.1 | R738 H793 V840 Q845 | R738-E838 PolarHBondContact NH1-O 3Å; H793-E838 HydrophobicContact CB-CB 4.48Å; H793-E838 HydrophobicContact CB-CG 3.93Å; E838-V840 VanDerWaalsContact C-N 3.28Å; E838-V840 HydrophobicContact CB-CG2 3.86Å; E838-V840 HydrophobicContact CG-CG2 3.97Å; E838-V840 PolarHBondContact O-N 2.87Å; E838-V840 VanDerWaalsContact O-N 3.12Å; E838-Q845 PolarHBondContact OE1-NE2 3.44Å; E838-Q845 PolarHBondContact OE2-NE2 2.75Å | ||
| 839 | I | 86.7 | Confident | 82.8 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.082 | 24% | 0.242 | C | C | . | . | trans | -76.7 | 87.2 | 161 | -52.7 | -175.5 | 0 | 0 | 0 | 106.9 | R738 L741 V785 N789 I834 | R738-I839 HydrophobicContact CG-CD1 4.27Å; R738-I839 HydrophobicContact CG-CG1 3.94Å; R738-I839 HydrophobicContact CG-CG2 4.48Å; L741-I839 HydrophobicContact CB-CG2 4.3Å; L741-I839 HydrophobicContact CD1-CG2 4.37Å; V785-I839 HydrophobicContact CG1-CD1 4.25Å; N789-I839 PolarHBondContact OD1-N 3.33Å; I834-I839 HydrophobicContact CD1-CD1 3.7Å; I834-I839 HydrophobicContact CD1-CG1 3.88Å | ||
| 840 | V | 78.8 | Confident | 82.1 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | trans | -76.9 | 122.6 | -174.6 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | E838 Q845 V849 Y853 | E838-V840 VanDerWaalsContact C-N 3.28Å; E838-V840 HydrophobicContact CB-CG2 3.86Å; E838-V840 HydrophobicContact CG-CG2 3.97Å; E838-V840 PolarHBondContact O-N 2.87Å; E838-V840 VanDerWaalsContact O-N 3.12Å; V840-Q845 HydrophobicContact CG1-CB 4.26Å; V840-Q845 HydrophobicContact CG1-CG 4.08Å; V840-V849 HydrophobicContact CG1-CG1 4.37Å; V840-V849 HydrophobicContact CG2-CG1 3.73Å; V840-Y853 HydrophobicContact CB-CD2 3.98Å; V840-Y853 HydrophobicContact CB-CG 4.28Å; V840-Y853 HydrophobicContact CG1-CD2 4Å; V840-Y853 HydrophobicContact CG1-CG 3.82Å | ||
| 841 | M | 75.1 | Confident | 81.4 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 14% | 0.138 | 26% | 0.261 | C | S | . | . | trans | -96.1 | 112.3 | 162.2 | -65.9 | -158.9 | -62.5 | 0 | 0 | 109.7 | R745 L746 E843 E844 Q845 | R745-M841 HydrophobicContact CB-SD 4.37Å; R745-M841 HydrophobicContact CG-CE 3.96Å; R745-M841 HydrophobicContact CG-SD 3.92Å; L746-M841 HydrophobicContact CB-CE 4.1Å; L746-M841 HydrophobicContact CB-SD 4.13Å; L746-M841 PolarHBondContact N-SD 3.44Å; L746-M841 VanDerWaalsContact N-SD 3.35Å; M841-E843 PolarHBondContact O-N 2.82Å; M841-E843 VanDerWaalsContact O-N 3.16Å; M841-E844 HydrophobicContact CB-CG 4.45Å; M841-E844 HydrophobicContact CE-CG 4.5Å; M841-E844 VanDerWaalsContact CE-OE2 3.28Å; M841-E844 WeakPolarHBondContact CE-OE2 3.34Å; M841-E844 PolarHBondContact O-N 2.71Å; M841-E844 VanDerWaalsContact O-N 3.08Å; M841-Q845 PolarHBondContact O-N 3.18Å | ||
| 842 | P | 67.1 | Low | 80.8 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.1 | -168.7 | 27.9 | -38 | 0 | 0 | 0 | 115.3 | K703 E844 R850 Y853 | K703-P842 HydrophobicContact CD-CG 4.4Å; P842-E844 VanDerWaalsContact C-N 3.33Å; P842-R850 WeakPolarHBondContact O-CD 3.41Å; P842-Y853 HydrophobicContact CB-CD1 3.61Å; P842-Y853 HydrophobicContact CB-CE1 3.51Å; P842-Y853 HydrophobicContact CG-CD1 4.07Å; P842-Y853 HydrophobicContact CG-CE1 3.45Å; P842-Y853 VanDerWaalsContact CG-CE1 3.45Å |
| 843 | E | 69.7 | Low | 80.2 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 34% | 0.341 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.8 | 175 | -60.2 | -168.9 | 157.5 | 0 | 0 | 112.5 | N702 K703 R704 M841 | N702-E843 PolarHBondContact ND2-OE1 3.01Å; N702-E843 PolarHBondContact ND2-OE2 3.1Å; K703-E843 HydrophobicContact CB-CG 4.46Å; K703-E843 PolarHBondContact N-OE1 3.08Å; R704-E843 WeakPolarHBondContact CB-OE2 3.17Å; R704-E843 PolarHBondContact N-OE2 3.47Å; M841-E843 PolarHBondContact O-N 2.82Å; M841-E843 VanDerWaalsContact O-N 3.16Å |
| 844 | E | 70.7 | Confident | 79.7 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -29.7 | -179.1 | -57 | -169.5 | 156 | 0 | 0 | 112.8 | R745 M841 P842 | R745-E844 IonicContact CZ-OE1 2.74Å; R745-E844 IonicContact NE-OE1 2.61Å; R745-E844 PolarHBondContact NE-OE1 3.25Å; R745-E844 IonicContact NH2-OE1 2.63Å; R745-E844 PolarHBondContact NH2-OE1 2.93Å; M841-E844 HydrophobicContact CB-CG 4.45Å; M841-E844 HydrophobicContact CE-CG 4.5Å; M841-E844 VanDerWaalsContact CE-OE2 3.28Å; M841-E844 WeakPolarHBondContact CE-OE2 3.34Å; M841-E844 PolarHBondContact O-N 2.71Å; M841-E844 VanDerWaalsContact O-N 3.08Å; P842-E844 VanDerWaalsContact C-N 3.33Å |
| 845 | Q | 73.7 | Confident | 79.5 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | trans | -84.7 | 154.6 | 179.5 | -72.9 | -64.9 | -1 | 0 | 0 | 113.4 | E838 V840 M841 V849 R850 | E838-Q845 PolarHBondContact OE1-NE2 3.44Å; E838-Q845 PolarHBondContact OE2-NE2 2.75Å; V840-Q845 HydrophobicContact CG1-CB 4.26Å; V840-Q845 HydrophobicContact CG1-CG 4.08Å; M841-Q845 PolarHBondContact O-N 3.18Å; Q845-V849 HydrophobicContact CB-CG1 4.29Å; Q845-V849 HydrophobicContact CG-CG1 4.02Å; Q845-R850 HydrophobicContact CB-CB 4.22Å; Q845-R850 VanDerWaalsContact O-CD 3.24Å; Q845-R850 WeakPolarHBondContact O-CD 3.01Å | ||
| 846 | S | 71.5 | Confident | 79.2 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | trans | -138.1 | 159.7 | -179.4 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 847 | G | 75.1 | Confident | 79 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -147.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V849 R850 E851 | G847-V849 VanDerWaalsContact C-N 3.25Å; G847-V849 PolarHBondContact O-N 2.74Å; G847-V849 VanDerWaalsContact O-N 3.07Å; G847-R850 PolarHBondContact O-N 2.98Å; G847-E851 PolarHBondContact O-N 2.89Å; G847-E851 VanDerWaalsContact O-N 3.1Å |
| 848 | I | 74.3 | Confident | 79.2 | Confident | 75 Ų | 75 | 53 Ų | 53 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -27.4 | -164.7 | -156.1 | 165.5 | 0 | 0 | 0 | 114.7 | W373 E851 N852 | W373-I848 HydrophobicContact CD2-CD1 4.24Å; W373-I848 HydrophobicContact CE3-CD1 4.44Å; W373-I848 HydrophobicContact CZ2-CD1 4.34Å; I848-E851 PolarHBondContact O-N 3.47Å; I848-N852 WeakPolarHBondContact O-CB 3.03Å; I848-N852 PolarHBondContact O-N 2.73Å; I848-N852 PolarHBondContact O-ND2 3.15Å; I848-N852 VanDerWaalsContact O-ND2 3.16Å; I848-N852 PolarHBondContact O-OD1 2.89Å |
| 849 | V | 76.9 | Confident | 79.4 | Confident | 53 Ų | 53 | 53 Ų | 53 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 111 | V840 Q845 G847 Y853 | V840-V849 HydrophobicContact CG1-CG1 4.37Å; V840-V849 HydrophobicContact CG2-CG1 3.73Å; Q845-V849 HydrophobicContact CB-CG1 4.29Å; Q845-V849 HydrophobicContact CG-CG1 4.02Å; G847-V849 VanDerWaalsContact C-N 3.25Å; G847-V849 PolarHBondContact O-N 2.74Å; G847-V849 VanDerWaalsContact O-N 3.07Å; V849-Y853 WeakPolarHBondContact O-CB 3.47Å; V849-Y853 PolarHBondContact O-N 3.36Å; V849-Y853 VanDerWaalsContact O-N 3.13Å |
| 850 | R | 80.3 | Confident | 79.4 | Confident | 116 Ų | 116 | 58 Ų | 58 | 44% | 0.438 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 176.4 | 174 | 178.8 | 164.5 | 176.1 | -4.8 | 111.6 | P842 Q845 G847 Y853 L854 | P842-R850 WeakPolarHBondContact O-CD 3.41Å; Q845-R850 HydrophobicContact CB-CB 4.22Å; Q845-R850 VanDerWaalsContact O-CD 3.24Å; Q845-R850 WeakPolarHBondContact O-CD 3.01Å; G847-R850 PolarHBondContact O-N 2.98Å; R850-Y853 PolarHBondContact O-N 2.71Å; R850-L854 HydrophobicContact CG-CD1 3.97Å; R850-L854 HydrophobicContact CG-CG 4.36Å; R850-L854 WeakPolarHBondContact O-CB 3.42Å; R850-L854 WeakPolarHBondContact O-CG 3.32Å; R850-L854 PolarHBondContact O-N 2.59Å |
| 851 | E | 81 | Confident | 79.8 | Confident | 90 Ų | 90 | 59.2 Ų | 59.2 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.8 | -66.5 | 165.4 | -178.7 | 0 | 0 | 111.3 | G847 I848 Y853 L854 W855 | G847-E851 PolarHBondContact O-N 2.89Å; G847-E851 VanDerWaalsContact O-N 3.1Å; I848-E851 PolarHBondContact O-N 3.47Å; E851-Y853 PolarHBondContact O-N 3.16Å; E851-L854 PolarHBondContact O-N 2.94Å; E851-W855 WeakPolarHBondContact O-CB 3.12Å; E851-W855 PolarHBondContact O-N 3.41Å |
| 852 | N | 82.8 | Confident | 80.4 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | 174.5 | -68.5 | -16.5 | 0 | 0 | 0 | 111.5 | R416 I848 W855 D856 | R416-N852 PolarHBondContact NH2-OD1 3.12Å; I848-N852 WeakPolarHBondContact O-CB 3.03Å; I848-N852 PolarHBondContact O-N 2.73Å; I848-N852 PolarHBondContact O-ND2 3.15Å; I848-N852 VanDerWaalsContact O-ND2 3.16Å; I848-N852 PolarHBondContact O-OD1 2.89Å; N852-W855 WeakPolarHBondContact O-CB 3.41Å; N852-W855 PolarHBondContact O-N 3.47Å; N852-D856 VanDerWaalsContact O-CG 3.27Å; N852-D856 PolarHBondContact O-N 3.19Å |
| 853 | Y | 82.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 176.7 | 165 | -85.8 | 0 | 0 | 0 | 112.3 | K703 E742 V840 P842 V849 R850 E851 W855 D856 V857 | K703-Y853 PolarHBondContact NZ-OH 3.34Å; E742-Y853 HydrophobicContact CG-CE2 4.11Å; E742-Y853 VanDerWaalsContact CG-OH 3.25Å; E742-Y853 WeakPolarHBondContact CG-OH 3.27Å; E742-Y853 WeakPolarHBondContact OE1-CE2 3.42Å; E742-Y853 PolarHBondContact OE1-OH 2.88Å; V840-Y853 HydrophobicContact CB-CD2 3.98Å; V840-Y853 HydrophobicContact CB-CG 4.28Å; V840-Y853 HydrophobicContact CG1-CD2 4Å; V840-Y853 HydrophobicContact CG1-CG 3.82Å; P842-Y853 HydrophobicContact CB-CD1 3.61Å; P842-Y853 HydrophobicContact CB-CE1 3.51Å; P842-Y853 HydrophobicContact CG-CD1 4.07Å; P842-Y853 HydrophobicContact CG-CE1 3.45Å; P842-Y853 VanDerWaalsContact CG-CE1 3.45Å; V849-Y853 WeakPolarHBondContact O-CB 3.47Å; V849-Y853 PolarHBondContact O-N 3.36Å; V849-Y853 VanDerWaalsContact O-N 3.13Å; R850-Y853 PolarHBondContact O-N 2.71Å; E851-Y853 PolarHBondContact O-N 3.16Å; Y853-W855 VanDerWaalsContact C-N 3.29Å; Y853-W855 PolarHBondContact O-N 3.4Å; Y853-D856 PolarHBondContact O-N 3.34Å; Y853-V857 HydrophobicContact CD1-CG2 4.32Å; Y853-V857 HydrophobicContact CE1-CG2 3.64Å; Y853-V857 HydrophobicContact CE2-CG2 3.98Å; Y853-V857 VanDerWaalsContact CZ-CG2 3.42Å; Y853-V857 WeakPolarHBondContact O-CG2 3.3Å; Y853-V857 PolarHBondContact O-N 2.88Å; Y853-V857 WeakPolarHBondContact OH-CG2 3.29Å |
| 854 | L | 83.3 | Confident | 82.2 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 179.8 | -71.6 | 173.4 | 0 | 0 | 0 | 111.7 | R850 E851 V857 L858 | R850-L854 HydrophobicContact CG-CD1 3.97Å; R850-L854 HydrophobicContact CG-CG 4.36Å; R850-L854 WeakPolarHBondContact O-CB 3.42Å; R850-L854 WeakPolarHBondContact O-CG 3.32Å; R850-L854 PolarHBondContact O-N 2.59Å; E851-L854 PolarHBondContact O-N 2.94Å; L854-V857 PolarHBondContact O-N 2.71Å; L854-L858 WeakPolarHBondContact O-CB 3.31Å; L854-L858 PolarHBondContact O-N 3.26Å |
| 855 | W | 89.5 | Confident | 82.9 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 171.8 | -169.2 | -91.1 | 0 | 0 | 0 | 112.2 | N412 C415 R416 Q451 E851 N852 Y853 V857 L858 L859 | N412-W855 WeakPolarHBondContact O-CZ2 3.25Å; N412-W855 PolarHBondContact OD1-NE1 2.86Å; C415-W855 HydrophobicContact CB-CH2 3.61Å; C415-W855 HydrophobicContact CB-CZ2 3.89Å; R416-W855 HydrophobicContact CB-CD2 4.19Å; R416-W855 HydrophobicContact CB-CH2 4.12Å; R416-W855 HydrophobicContact CB-CZ2 3.68Å; R416-W855 HydrophobicContact CG-CD2 4.06Å; R416-W855 HydrophobicContact CG-CE3 4.47Å; R416-W855 HydrophobicContact CG-CG 4.41Å; R416-W855 HydrophobicContact CG-CZ2 4.46Å; Q451-W855 HydrophobicContact CG-CH2 4.11Å; Q451-W855 HydrophobicContact CG-CZ2 4.48Å; E851-W855 WeakPolarHBondContact O-CB 3.12Å; E851-W855 PolarHBondContact O-N 3.41Å; N852-W855 WeakPolarHBondContact O-CB 3.41Å; N852-W855 PolarHBondContact O-N 3.47Å; Y853-W855 VanDerWaalsContact C-N 3.29Å; Y853-W855 PolarHBondContact O-N 3.4Å; W855-V857 VanDerWaalsContact C-N 3.29Å; W855-V857 PolarHBondContact O-N 3.02Å; W855-L858 WeakPolarHBondContact O-CB 3.33Å; W855-L858 PolarHBondContact O-N 3.22Å; W855-L858 VanDerWaalsContact O-N 3.12Å; W855-L859 WeakPolarHBondContact O-CG 3.41Å; W855-L859 PolarHBondContact O-N 3.5Å |
| 856 | D | 85.3 | Confident | 83.4 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.9 | -25.2 | 179.8 | -62.8 | -8.8 | 0 | 0 | 0 | 111.8 | R416 N852 Y853 R860 | R416-D856 IonicContact NH1-OD1 3.07Å; N852-D856 VanDerWaalsContact O-CG 3.27Å; N852-D856 PolarHBondContact O-N 3.19Å; Y853-D856 PolarHBondContact O-N 3.34Å; D856-R860 WeakPolarHBondContact O-CG 3.33Å; D856-R860 PolarHBondContact O-N 3.28Å; D856-R860 PolarHBondContact O-NE 3.4Å |
| 857 | V | 83 | Confident | 84.2 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -46.3 | 165.1 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | E742 Y853 L854 W855 L859 R860 R861 | E742-V857 WeakPolarHBondContact OE1-CG2 3.18Å; Y853-V857 HydrophobicContact CD1-CG2 4.32Å; Y853-V857 HydrophobicContact CE1-CG2 3.64Å; Y853-V857 HydrophobicContact CE2-CG2 3.98Å; Y853-V857 VanDerWaalsContact CZ-CG2 3.42Å; Y853-V857 WeakPolarHBondContact O-CG2 3.3Å; Y853-V857 PolarHBondContact O-N 2.88Å; Y853-V857 WeakPolarHBondContact OH-CG2 3.29Å; L854-V857 PolarHBondContact O-N 2.71Å; W855-V857 VanDerWaalsContact C-N 3.29Å; W855-V857 PolarHBondContact O-N 3.02Å; V857-L859 PolarHBondContact O-N 2.91Å; V857-R860 VanDerWaalsContact CG2-NH2 3.32Å; V857-R860 PolarHBondContact O-N 2.94Å; V857-R861 HydrophobicContact CG1-CG 4.39Å; V857-R861 PolarHBondContact O-N 2.88Å |
| 858 | L | 89.3 | Confident | 84.9 | Confident | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | -179.3 | -179.6 | 155.5 | 0 | 0 | 0 | 111.6 | F450 Q451 M454 L854 W855 R860 R861 G862 | F450-L858 HydrophobicContact CB-CD1 4.02Å; F450-L858 HydrophobicContact CB-CD2 3.94Å; F450-L858 HydrophobicContact CB-CG 3.59Å; Q451-L858 HydrophobicContact CG-CD2 3.9Å; M454-L858 HydrophobicContact CB-CD1 4.3Å; M454-L858 HydrophobicContact CG-CD1 3.36Å; L854-L858 WeakPolarHBondContact O-CB 3.31Å; L854-L858 PolarHBondContact O-N 3.26Å; W855-L858 WeakPolarHBondContact O-CB 3.33Å; W855-L858 PolarHBondContact O-N 3.22Å; W855-L858 VanDerWaalsContact O-N 3.12Å; L858-R860 PolarHBondContact O-N 2.92Å; L858-R861 PolarHBondContact O-N 3.15Å; L858-G862 PolarHBondContact O-N 2.72Å |
| 859 | L | 90.9 | Very high | 85.8 | Confident | 44 Ų | 44 | 62 Ų | 62 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177 | -67.3 | 176.4 | 0 | 0 | 0 | 112 | Q411 N412 W855 V857 G862 A863 | Q411-L859 WeakPolarHBondContact O-CD2 3.38Å; N412-L859 HydrophobicContact CB-CD1 3.87Å; N412-L859 HydrophobicContact CB-CD2 4.2Å; W855-L859 WeakPolarHBondContact O-CG 3.41Å; W855-L859 PolarHBondContact O-N 3.5Å; V857-L859 PolarHBondContact O-N 2.91Å; L859-G862 PolarHBondContact O-N 2.74Å; L859-A863 PolarHBondContact O-N 2.84Å; L859-A863 VanDerWaalsContact O-N 3.16Å |
| 860 | R | 86.9 | Confident | 86.5 | Confident | 121 Ų | 121 | 60.7 Ų | 60.7 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.3 | -76.7 | 178.5 | -70.1 | 156.8 | 2.4 | 112 | E742 D856 V857 L858 G862 A863 | E742-R860 IonicContact OE1-CZ 2.71Å; E742-R860 IonicContact OE1-NH1 2.87Å; E742-R860 PolarHBondContact OE1-NH1 2.92Å; E742-R860 IonicContact OE1-NH2 3.39Å; E742-R860 PolarHBondContact OE1-NH2 3.28Å; E742-R860 IonicContact OE2-CZ 3.8Å; E742-R860 IonicContact OE2-NH1 3.19Å; E742-R860 PolarHBondContact OE2-NH1 3.05Å; E742-R860 IonicContact OE2-NH2 3.74Å; E742-R860 PolarHBondContact OE2-NH2 3.29Å; D856-R860 WeakPolarHBondContact O-CG 3.33Å; D856-R860 PolarHBondContact O-N 3.28Å; D856-R860 PolarHBondContact O-NE 3.4Å; V857-R860 VanDerWaalsContact CG2-NH2 3.32Å; V857-R860 PolarHBondContact O-N 2.94Å; L858-R860 PolarHBondContact O-N 2.92Å; R860-G862 VanDerWaalsContact C-N 3.34Å; R860-G862 PolarHBondContact O-N 3.42Å; R860-A863 PolarHBondContact O-N 2.74Å |
| 861 | R | 86.3 | Confident | 86.8 | Confident | 48 Ų | 48 | 56 Ų | 56 | 18% | 0.181 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 173.3 | -70.3 | -177 | 70 | -145.6 | -0.1 | 111.7 | F450 V857 L858 A863 T864 G867 | F450-R861 HydrophobicContact CD2-CB 4.02Å; F450-R861 HydrophobicContact CE2-CB 3.68Å; F450-R861 HydrophobicContact CZ-CB 4.26Å; V857-R861 HydrophobicContact CG1-CG 4.39Å; V857-R861 PolarHBondContact O-N 2.88Å; L858-R861 PolarHBondContact O-N 3.15Å; R861-A863 PolarHBondContact O-N 3.41Å; R861-T864 PolarHBondContact O-N 3.35Å; R861-T864 PolarHBondContact O-OG1 2.98Å; R861-G867 PolarHBondContact O-N 3.4Å |
| 862 | G | 88.4 | Confident | 86.8 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -24.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L858 L859 R860 | L858-G862 PolarHBondContact O-N 2.72Å; L859-G862 PolarHBondContact O-N 2.74Å; R860-G862 VanDerWaalsContact C-N 3.34Å; R860-G862 PolarHBondContact O-N 3.42Å |
| 863 | A | 87.3 | Confident | 86.6 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 74% | 0.736 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -0.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L859 R860 R861 | L859-A863 PolarHBondContact O-N 2.84Å; L859-A863 VanDerWaalsContact O-N 3.16Å; R860-A863 PolarHBondContact O-N 2.74Å; R861-A863 PolarHBondContact O-N 3.41Å |
| 864 | T | 86.5 | Confident | 86.4 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -104.2 | 172.9 | 175.3 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | R861 Q866 G867 | R861-T864 PolarHBondContact O-N 3.35Å; R861-T864 PolarHBondContact O-OG1 2.98Å; T864-Q866 PolarHBondContact O-N 3.05Å; T864-Q866 WeakPolarHBondContact OG1-CB 3.07Å; T864-Q866 PolarHBondContact OG1-N 3.3Å; T864-G867 WeakPolarHBondContact O-CA 3.4Å; T864-G867 PolarHBondContact O-N 2.92Å |
| 865 | E | 85.5 | Confident | 86.3 | Confident | 150 Ų | 150 | 48.2 Ų | 48.2 | 70% | 0.701 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -52.4 | -24.3 | 169.4 | -71 | -63.4 | 133.9 | 0 | 0 | 113.6 | G867 R868 | E865-G867 PolarHBondContact O-N 3.19Å; E865-R868 WeakPolarHBondContact O-CB 3.43Å; E865-R868 PolarHBondContact O-N 3.06Å; E865-R868 VanDerWaalsContact O-N 3.11Å; E865-R868 IonicContact OE2-NH1 3.92Å |
| 866 | Q | 84.6 | Confident | 85.9 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 27% | 0.271 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -62.9 | -29.5 | 173.1 | -59.1 | -166.7 | 1 | 0 | 0 | 112.7 | K449 F450 T864 R868 | K449-Q866 WeakPolarHBondContact CD-O 3.21Å; K449-Q866 PolarHBondContact NZ-O 3.32Å; F450-Q866 HydrophobicContact CE2-CB 4.35Å; F450-Q866 HydrophobicContact CZ-CB 3.95Å; F450-Q866 VanDerWaalsContact CZ-O 3.31Å; F450-Q866 WeakPolarHBondContact CZ-O 3.46Å; T864-Q866 PolarHBondContact O-N 3.05Å; T864-Q866 WeakPolarHBondContact OG1-CB 3.07Å; T864-Q866 PolarHBondContact OG1-N 3.3Å; Q866-R868 PolarHBondContact O-N 2.88Å |
| 867 | G | 88.3 | Confident | 86 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -73.5 | -10.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R861 T864 E865 F869 | R861-G867 PolarHBondContact O-N 3.4Å; T864-G867 WeakPolarHBondContact O-CA 3.4Å; T864-G867 PolarHBondContact O-N 2.92Å; E865-G867 PolarHBondContact O-N 3.19Å; G867-F869 PolarHBondContact O-N 2.66Å |
| 868 | R | 90.6 | Very high | 86.4 | Confident | 120 Ų | 120 | 47.3 Ų | 47.3 | 45% | 0.453 | 25% | 0.253 | S | S | . | . | trans | -59.6 | 129 | 179.5 | -175.5 | 173.3 | 171.5 | -179.5 | -6.5 | 111 | K449 S641 E865 Q866 | K449-R868 PolarHBondContact NZ-O 3.09Å; S641-R868 PolarHBondContact OG-NH2 2.92Å; E865-R868 WeakPolarHBondContact O-CB 3.43Å; E865-R868 PolarHBondContact O-N 3.06Å; E865-R868 VanDerWaalsContact O-N 3.11Å; E865-R868 IonicContact OE2-NH1 3.92Å; Q866-R868 PolarHBondContact O-N 2.88Å | ||
| 869 | F | 92.3 | Very high | 86.5 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | trans | -114.7 | 137.6 | 177.8 | -170.6 | -83.4 | 0 | 0 | 0 | 109.6 | R445 V446 K449 E512 N516 Y517 G867 | R445-F869 HydrophobicContact CB-CE2 4.45Å; R445-F869 HydrophobicContact CB-CZ 4.27Å; R445-F869 HydrophobicContact CG-CE1 4.14Å; R445-F869 HydrophobicContact CG-CZ 4.04Å; V446-F869 HydrophobicContact CG2-CD1 4.2Å; K449-F869 HydrophobicContact CB-CD2 4.3Å; K449-F869 HydrophobicContact CG-CD2 4.37Å; E512-F869 HydrophobicContact CB-CE1 4.33Å; E512-F869 HydrophobicContact CB-CZ 3.95Å; E512-F869 HydrophobicContact CG-CE1 4.43Å; E512-F869 WeakPolarHBondContact OE2-CE1 3.44Å; E512-F869 WeakPolarHBondContact OE2-CZ 3.26Å; N516-F869 HydrophobicContact CB-CD2 4.12Å; N516-F869 HydrophobicContact CB-CE2 4.12Å; N516-F869 WeakPolarHBondContact OD1-CA 3.36Å; Y517-F869 HydrophobicContact CE2-CE2 4.12Å; G867-F869 PolarHBondContact O-N 2.66Å | ||
| 870 | L | 91 | Very high | 86.5 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | trans | -110.2 | 119.1 | -179.5 | -60.5 | 177.2 | 0 | 0 | 0 | 110 | L515 N516 P643 | L515-L870 HydrophobicContact CD1-CD1 4.35Å; L515-L870 HydrophobicContact CD2-CB 3.65Å; L515-L870 HydrophobicContact CD2-CD1 4.11Å; L515-L870 HydrophobicContact CG-CB 4.28Å; L515-L870 HydrophobicContact CG-CD1 4.25Å; N516-L870 PolarHBondContact ND2-O 3.45Å; N516-L870 PolarHBondContact OD1-N 3.47Å; P643-L870 HydrophobicContact CG-CD1 4.48Å | ||
| 871 | H | 87.8 | Confident | 86.8 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | trans | -77.5 | 130.1 | 162.8 | -84.7 | -58.9 | 0 | 0 | 0 | 110.5 | V446 E512 T636 S639 | V446-H871 WeakPolarHBondContact CG2-NE2 3.4Å; E512-H871 VanDerWaalsContact CD-ND1 3.29Å; E512-H871 IonicContact OE1-CE1 3.62Å; E512-H871 IonicContact OE1-CG 2.62Å; E512-H871 IonicContact OE1-ND1 3.82Å; E512-H871 PolarHBondContact OE1-ND1 3.39Å; E512-H871 IonicContact OE2-CE1 3.24Å; E512-H871 IonicContact OE2-ND1 3.26Å; E512-H871 PolarHBondContact OE2-ND1 3.09Å; T636-H871 WeakPolarHBondContact CG2-NE2 3.24Å; T636-H871 PolarHBondContact OG1-CE1 3.03Å; T636-H871 PolarHBondContact OG1-ND1 3.26Å; S639-H871 WeakPolarHBondContact CB-O 3.26Å; S639-H871 PolarHBondContact N-O 3.34Å; S639-H871 PolarHBondContact OG-N 3.36Å; S639-H871 PolarHBondContact OG-O 3.32Å | ||
| 872 | A | 81.4 | Confident | 87.2 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | trans | -127.4 | 131.1 | 175 | 0 | 0 | 0 | 0 | 0 | 109.2 | T511 L515 I642 L876 | T511-A872 HydrophobicContact CG2-CB 4.4Å; L515-A872 HydrophobicContact CD2-CB 3.87Å; I642-A872 HydrophobicContact CD1-CB 4.35Å; A872-L876 HydrophobicContact CB-CD1 4.06Å | ||
| 873 | P | 77.5 | Confident | 87.5 | Confident | 44 Ų | 44 | 42.8 Ų | 42.8 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | trans | -61 | 147.3 | 176.7 | 24.8 | -34.4 | 0 | 0 | 0 | 111.1 | P638 G875 L876 | P638-P873 HydrophobicContact CB-CG 4.48Å; P638-P873 HydrophobicContact CG-CB 4.44Å; P638-P873 HydrophobicContact CG-CG 4.13Å; P873-G875 PolarHBondContact O-N 3.3Å; P873-L876 HydrophobicContact CG-CD1 3.67Å; P873-L876 HydrophobicContact CG-CG 4.25Å | ||
| 874 | S | 78 | Confident | 87.7 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 25% | 0.245 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 139 | 178.7 | -169 | 0 | 0 | 0 | 0 | 110.9 | N565 | N565-S874 PolarHBondContact ND2-OG 3.32Š|
| 875 | G | 82 | Confident | 88.1 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 113.4 | -32.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N565 R569 P873 Y877 D878 | N565-G875 WeakPolarHBondContact ND2-CA 3.45Å; N565-G875 PolarHBondContact ND2-N 2.99Å; R569-G875 VanDerWaalsContact NH2-C 3.28Å; R569-G875 PolarHBondContact NH2-O 3.14Å; P873-G875 PolarHBondContact O-N 3.3Å; G875-Y877 VanDerWaalsContact C-N 3.31Å; G875-Y877 PolarHBondContact O-N 2.76Å; G875-Y877 VanDerWaalsContact O-N 3.15Å; G875-D878 VanDerWaalsContact CA-CG 3.44Å; G875-D878 WeakPolarHBondContact CA-OD1 3.47Å; G875-D878 WeakPolarHBondContact CA-OD2 3.43Å; G875-D878 WeakPolarHBondContact O-CB 3.33Å; G875-D878 VanDerWaalsContact O-CG 3.25Å; G875-D878 PolarHBondContact O-N 3.14Å |
| 876 | L | 81.2 | Confident | 88.5 | Confident | 83 Ų | 83 | 32.2 Ų | 32.2 | 44% | 0.435 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -38 | -161.7 | -89 | 168.5 | 0 | 0 | 0 | 115.3 | I642 A872 P873 | I642-L876 HydrophobicContact CD1-CD1 4.06Å; I642-L876 HydrophobicContact CG2-CD1 4.13Å; A872-L876 HydrophobicContact CB-CD1 4.06Å; P873-L876 HydrophobicContact CG-CD1 3.67Å; P873-L876 HydrophobicContact CG-CG 4.25Å |
| 877 | Y | 87.8 | Confident | 89 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 27.6 | -177.4 | -49.5 | -63.7 | 0 | 0 | 0 | 112.1 | T511 Y514 L515 I642 P643 L648 G875 H879 D880 L881 | T511-Y877 HydrophobicContact CG2-CD2 3.73Å; T511-Y877 HydrophobicContact CG2-CE2 4.47Å; Y514-Y877 HydrophobicContact CD1-CD2 4.32Å; Y514-Y877 HydrophobicContact CD1-CG 4.45Å; Y514-Y877 HydrophobicContact CE1-CD2 4.49Å; Y514-Y877 HydrophobicContact CE1-CG 4.26Å; L515-Y877 HydrophobicContact CD1-CE2 4.33Å; L515-Y877 HydrophobicContact CD2-CE2 4.44Å; I642-Y877 WeakPolarHBondContact CG2-OH 3.35Å; P643-Y877 PolarHBondContact O-OH 2.89Å; L648-Y877 HydrophobicContact CD1-CD1 3.78Å; L648-Y877 HydrophobicContact CD1-CD2 4.07Å; L648-Y877 HydrophobicContact CD1-CE1 3.45Å; L648-Y877 VanDerWaalsContact CD1-CE1 3.45Å; L648-Y877 HydrophobicContact CD1-CE2 3.77Å; L648-Y877 HydrophobicContact CD1-CG 4.08Å; L648-Y877 VanDerWaalsContact CD1-CZ 3.43Å; L648-Y877 HydrophobicContact CG-CE1 4.27Å; G875-Y877 VanDerWaalsContact C-N 3.31Å; G875-Y877 PolarHBondContact O-N 2.76Å; G875-Y877 VanDerWaalsContact O-N 3.15Å; Y877-H879 PolarHBondContact O-N 2.89Å; Y877-H879 VanDerWaalsContact O-N 3.1Å; Y877-D880 PolarHBondContact O-N 3.39Å; Y877-L881 WeakPolarHBondContact O-CG 3.21Å; Y877-L881 PolarHBondContact O-N 2.74Å |
| 878 | D | 91.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.7 | -30 | -175 | -83.5 | 9.9 | 0 | 0 | 0 | 114.1 | I562 N565 G875 F882 Y924 | I562-D878 HydrophobicContact CG1-CB 4.18Å; I562-D878 HydrophobicContact CG2-CB 3.99Å; N565-D878 WeakPolarHBondContact CB-OD2 3.41Å; N565-D878 PolarHBondContact ND2-OD2 3.2Å; G875-D878 VanDerWaalsContact CA-CG 3.44Å; G875-D878 WeakPolarHBondContact CA-OD1 3.47Å; G875-D878 WeakPolarHBondContact CA-OD2 3.43Å; G875-D878 WeakPolarHBondContact O-CB 3.33Å; G875-D878 VanDerWaalsContact O-CG 3.25Å; G875-D878 PolarHBondContact O-N 3.14Å; D878-F882 VanDerWaalsContact O-CB 3.22Å; D878-F882 WeakPolarHBondContact O-CB 3.5Å; D878-F882 PolarHBondContact O-N 2.67Å; D878-Y924 VanDerWaalsContact CB-OH 3.29Å; D878-Y924 WeakPolarHBondContact CB-OH 3.33Å |
| 879 | H | 91.7 | Very high | 89.4 | Confident | 64 Ų | 64 | 26.3 Ų | 26.3 | 30% | 0.296 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -70.4 | -46.4 | 175.3 | -173.7 | 71.6 | 0 | 0 | 0 | 111.8 | Y877 F882 L883 Y924 M926 | Y877-H879 PolarHBondContact O-N 2.89Å; Y877-H879 VanDerWaalsContact O-N 3.1Å; H879-F882 PolarHBondContact O-N 2.88Å; H879-L883 WeakPolarHBondContact O-CB 3.47Å; H879-L883 WeakPolarHBondContact O-CG 3.48Å; H879-L883 PolarHBondContact O-N 2.7Å; H879-Y924 HydrophobicContact CB-CD1 4.26Å; H879-Y924 HydrophobicContact CB-CE1 4.03Å; H879-Y924 AromaticContact ND1-CD1 3.64Å; H879-Y924 AromaticContact ND1-CD2 3.94Å; H879-Y924 AromaticContact ND1-CG 3.46Å; H879-M926 VanDerWaalsContact CE1-SD 3.56Å |
| 880 | D | 90.2 | Very high | 89.4 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.6 | -61.8 | -70.7 | 0 | 0 | 0 | 112.1 | Y514 H645 Y877 L884 | Y514-D880 HydrophobicContact CE1-CB 4.17Å; Y514-D880 HydrophobicContact CE2-CB 4.39Å; Y514-D880 WeakPolarHBondContact OH-CB 3.48Å; H645-D880 IonicContact CE1-OD1 3.54Å; H645-D880 PolarHBondContact CE1-OD1 3.41Å; H645-D880 IonicContact CE1-OD2 2.7Å; H645-D880 PolarHBondContact CE1-OD2 3.12Å; H645-D880 IonicContact ND1-OD1 3.54Å; H645-D880 PolarHBondContact ND1-OD1 2.75Å; H645-D880 IonicContact ND1-OD2 3.58Å; H645-D880 PolarHBondContact ND1-OD2 3.22Å; Y877-D880 PolarHBondContact O-N 3.39Å; D880-L884 WeakPolarHBondContact O-CG 3.47Å; D880-L884 PolarHBondContact O-N 3.33Å |
| 881 | L | 93.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 174.9 | -65.9 | 173.1 | 0 | 0 | 0 | 111.3 | V510 T511 Y514 F527 I562 Y877 L884 V885 | V510-L881 HydrophobicContact CG1-CD2 4.21Å; T511-L881 HydrophobicContact CG2-CD1 4.35Å; Y514-L881 HydrophobicContact CD1-CD2 4.4Å; Y514-L881 HydrophobicContact CD2-CD2 4.28Å; Y514-L881 HydrophobicContact CG-CD2 3.86Å; F527-L881 HydrophobicContact CD1-CD2 3.84Å; F527-L881 HydrophobicContact CE1-CB 4.44Å; F527-L881 HydrophobicContact CE1-CD2 3.47Å; F527-L881 VanDerWaalsContact CE1-CD2 3.47Å; F527-L881 HydrophobicContact CE2-CD2 4.45Å; F527-L881 HydrophobicContact CG-CD2 4.46Å; F527-L881 HydrophobicContact CZ-CB 4.41Å; F527-L881 HydrophobicContact CZ-CD2 3.81Å; I562-L881 HydrophobicContact CD1-CB 4Å; Y877-L881 WeakPolarHBondContact O-CG 3.21Å; Y877-L881 PolarHBondContact O-N 2.74Å; L881-L884 PolarHBondContact O-N 3.44Å; L881-V885 WeakPolarHBondContact O-CB 3.19Å; L881-V885 WeakPolarHBondContact O-CG1 3.34Å; L881-V885 PolarHBondContact O-N 3.21Å |
| 882 | F | 95.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 176.5 | -172.6 | -111.6 | 0 | 0 | 0 | 111.6 | I559 I562 D878 H879 L884 V885 W886 I920 A921 M926 V929 | I559-F882 HydrophobicContact CD1-CD2 4.04Å; I559-F882 HydrophobicContact CD1-CE2 3.84Å; I562-F882 HydrophobicContact CD1-CB 4.13Å; D878-F882 VanDerWaalsContact O-CB 3.22Å; D878-F882 WeakPolarHBondContact O-CB 3.5Å; D878-F882 PolarHBondContact O-N 2.67Å; H879-F882 PolarHBondContact O-N 2.88Å; F882-L884 PolarHBondContact O-N 3.01Å; F882-L884 VanDerWaalsContact O-N 3.15Å; F882-V885 HydrophobicContact CD2-CG1 4.42Å; F882-V885 PolarHBondContact O-N 3.39Å; F882-V885 VanDerWaalsContact O-N 3.09Å; F882-W886 HydrophobicContact CD1-CB 4.4Å; F882-W886 HydrophobicContact CD2-CB 4.26Å; F882-W886 HydrophobicContact CE1-CB 4.07Å; F882-W886 HydrophobicContact CE2-CB 3.9Å; F882-W886 HydrophobicContact CZ-CB 3.81Å; F882-W886 WeakPolarHBondContact O-CB 3.23Å; F882-W886 VanDerWaalsContact O-CD1 3.26Å; F882-W886 PolarHBondContact O-N 2.93Å; F882-I920 HydrophobicContact CB-CG2 4.23Å; F882-I920 HydrophobicContact CD1-CG2 3.69Å; F882-I920 HydrophobicContact CD2-CB 4.21Å; F882-I920 HydrophobicContact CD2-CD1 3.94Å; F882-I920 HydrophobicContact CD2-CG2 3.58Å; F882-I920 HydrophobicContact CE1-CB 4.35Å; F882-I920 HydrophobicContact CE1-CG2 3.82Å; F882-I920 HydrophobicContact CE2-CB 3.87Å; F882-I920 HydrophobicContact CE2-CD1 3.81Å; F882-I920 HydrophobicContact CE2-CG1 4.48Å; F882-I920 HydrophobicContact CE2-CG2 3.72Å; F882-I920 HydrophobicContact CG-CG2 3.55Å; F882-I920 HydrophobicContact CZ-CB 3.94Å; F882-I920 HydrophobicContact CZ-CG2 3.83Å; F882-A921 HydrophobicContact CE1-CB 4.47Å; F882-M926 HydrophobicContact CD1-CE 4.03Å; F882-M926 HydrophobicContact CD1-SD 3.56Å; F882-M926 VanDerWaalsContact CD1-SD 3.56Å; F882-M926 HydrophobicContact CE1-CE 4.33Å; F882-M926 HydrophobicContact CE1-SD 3.82Å; F882-V929 HydrophobicContact CE1-CG1 3.94Å; F882-V929 HydrophobicContact CE1-CG2 4.4Å; F882-V929 HydrophobicContact CZ-CG1 3.94Å |
| 883 | L | 93.2 | Very high | 90.1 | Very high | 78 Ų | 78 | 26.1 Ų | 26.1 | 41% | 0.408 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -51.3 | -35.9 | 176 | -88.4 | 167.6 | 0 | 0 | 0 | 113.4 | H879 W886 M926 | H879-L883 WeakPolarHBondContact O-CB 3.47Å; H879-L883 WeakPolarHBondContact O-CG 3.48Å; H879-L883 PolarHBondContact O-N 2.7Å; L883-W886 VanDerWaalsContact O-CD1 3.27Å; L883-W886 PolarHBondContact O-NE1 3.08Å; L883-M926 HydrophobicContact CD2-CE 3.44Å; L883-M926 VanDerWaalsContact CD2-CE 3.44Å; L883-M926 HydrophobicContact CG-CE 3.78Å |
| 884 | L | 92.1 | Very high | 90.8 | Very high | 47 Ų | 47 | 24.9 Ų | 24.9 | 25% | 0.246 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -85.4 | -33.2 | 178.7 | -66.6 | 167.3 | 0 | 0 | 0 | 113.3 | Y514 F527 E528 D880 L881 F882 P888 | Y514-L884 HydrophobicContact CD2-CD1 3.94Å; Y514-L884 HydrophobicContact CE2-CD1 3.73Å; F527-L884 HydrophobicContact CD1-CD1 4.03Å; F527-L884 HydrophobicContact CE1-CB 3.85Å; F527-L884 HydrophobicContact CE1-CD1 3.88Å; E528-L884 HydrophobicContact CG-CD2 4.36Å; D880-L884 WeakPolarHBondContact O-CG 3.47Å; D880-L884 PolarHBondContact O-N 3.33Å; L881-L884 PolarHBondContact O-N 3.44Å; F882-L884 PolarHBondContact O-N 3.01Å; F882-L884 VanDerWaalsContact O-N 3.15Å; L884-P888 WeakPolarHBondContact O-CD 3.2Å |
| 885 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -93.3 | -25.6 | -172.6 | 85.3 | 0 | 0 | 0 | 0 | 114 | F527 T531 L555 V558 I559 L881 F882 T889 | F527-V885 HydrophobicContact CZ-CB 4.24Å; T531-V885 HydrophobicContact CG2-CB 4.38Å; T531-V885 HydrophobicContact CG2-CG2 3.86Å; L555-V885 HydrophobicContact CD2-CG2 4.12Å; V558-V885 HydrophobicContact CB-CG2 4.26Å; V558-V885 HydrophobicContact CG1-CB 4.48Å; V558-V885 HydrophobicContact CG1-CG1 4.07Å; V558-V885 HydrophobicContact CG1-CG2 4.31Å; V558-V885 HydrophobicContact CG2-CG2 4.43Å; I559-V885 HydrophobicContact CD1-CG1 3.97Å; L881-V885 WeakPolarHBondContact O-CB 3.19Å; L881-V885 WeakPolarHBondContact O-CG1 3.34Å; L881-V885 PolarHBondContact O-N 3.21Å; F882-V885 HydrophobicContact CD2-CG1 4.42Å; F882-V885 PolarHBondContact O-N 3.39Å; F882-V885 VanDerWaalsContact O-N 3.09Å; V885-T889 VanDerWaalsContact O-CB 3.24Å; V885-T889 WeakPolarHBondContact O-CB 3.45Å; V885-T889 PolarHBondContact O-N 3.04Å; V885-T889 PolarHBondContact O-OG1 3.28Å |
| 886 | W | 94.6 | Very high | 91.6 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 17% | 0.17 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -55.5 | -171.7 | 78.6 | -92.1 | 0 | 0 | 0 | 111.8 | F882 L883 T889 I890 V929 N932 | F882-W886 HydrophobicContact CD1-CB 4.4Å; F882-W886 HydrophobicContact CD2-CB 4.26Å; F882-W886 HydrophobicContact CE1-CB 4.07Å; F882-W886 HydrophobicContact CE2-CB 3.9Å; F882-W886 HydrophobicContact CZ-CB 3.81Å; F882-W886 WeakPolarHBondContact O-CB 3.23Å; F882-W886 VanDerWaalsContact O-CD1 3.26Å; F882-W886 PolarHBondContact O-N 2.93Å; L883-W886 VanDerWaalsContact O-CD1 3.27Å; L883-W886 PolarHBondContact O-NE1 3.08Å; W886-T889 CarbonylContact O-C 3.39Å; W886-T889 WeakPolarHBondContact O-CA 3.36Å; W886-T889 WeakPolarHBondContact O-CB 3.3Å; W886-T889 PolarHBondContact O-N 2.75Å; W886-I890 HydrophobicContact CE3-CG1 4.12Å; W886-I890 WeakPolarHBondContact O-CG1 3.41Å; W886-I890 PolarHBondContact O-N 2.98Å; W886-V929 HydrophobicContact CB-CG1 4.26Å; W886-V929 HydrophobicContact CD2-CB 4.27Å; W886-V929 HydrophobicContact CD2-CG1 3.84Å; W886-V929 HydrophobicContact CD2-CG2 3.62Å; W886-V929 HydrophobicContact CE3-CB 4.28Å; W886-V929 HydrophobicContact CE3-CG1 3.7Å; W886-V929 HydrophobicContact CE3-CG2 4.08Å; W886-V929 HydrophobicContact CG-CG1 4.09Å; W886-V929 HydrophobicContact CG-CG2 3.97Å; W886-V929 HydrophobicContact CH2-CG2 4.39Å; W886-V929 HydrophobicContact CZ2-CG2 3.99Å; W886-V929 HydrophobicContact CZ3-CG1 4.36Å; W886-V929 HydrophobicContact CZ3-CG2 4.43Å; W886-N932 HydrophobicContact CZ3-CB 4.14Å |
| 887 | G | 93.8 | Very high | 92 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 27% | 0.268 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -57.5 | -52 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T889 I890 A891 | G887-T889 PolarHBondContact O-N 3.38Å; G887-I890 PolarHBondContact O-N 2.97Å; G887-A891 WeakPolarHBondContact O-CB 3.49Å; G887-A891 PolarHBondContact O-N 3.11Å |
| 888 | P | 93.3 | Very high | 92 | Very high | 38 Ų | 38 | 25.8 Ų | 25.8 | 25% | 0.247 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.2 | -31.9 | 172.9 | -26.9 | 36 | 0 | 0 | 0 | 114.2 | T531 S535 L884 A892 | T531-P888 HydrophobicContact CG2-CB 3.93Å; T531-P888 HydrophobicContact CG2-CG 4.03Å; S535-P888 PolarHBondContact OG-O 3.19Å; L884-P888 WeakPolarHBondContact O-CD 3.2Å; P888-A892 WeakPolarHBondContact O-CB 3.36Å; P888-A892 PolarHBondContact O-N 3.23Å |
| 889 | T | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -80.4 | -42.3 | 178.8 | -55 | 0 | 0 | 0 | 0 | 112.7 | L555 I559 V885 W886 G887 A891 A892 L893 | L555-T889 HydrophobicContact CB-CG2 4.04Å; I559-T889 HydrophobicContact CD1-CG2 4.44Å; I559-T889 HydrophobicContact CG1-CG2 4.01Å; V885-T889 VanDerWaalsContact O-CB 3.24Å; V885-T889 WeakPolarHBondContact O-CB 3.45Å; V885-T889 PolarHBondContact O-N 3.04Å; V885-T889 PolarHBondContact O-OG1 3.28Å; W886-T889 CarbonylContact O-C 3.39Å; W886-T889 WeakPolarHBondContact O-CA 3.36Å; W886-T889 WeakPolarHBondContact O-CB 3.3Å; W886-T889 PolarHBondContact O-N 2.75Å; G887-T889 PolarHBondContact O-N 3.38Å; T889-A891 VanDerWaalsContact C-N 3.33Å; T889-A891 PolarHBondContact O-N 2.91Å; T889-A892 PolarHBondContact O-N 2.93Å; T889-L893 HydrophobicContact CG2-CD1 3.85Å; T889-L893 HydrophobicContact CG2-CG 4.19Å; T889-L893 WeakPolarHBondContact O-CB 3.19Å; T889-L893 VanDerWaalsContact O-CG 3.28Å; T889-L893 WeakPolarHBondContact O-CG 3.47Å; T889-L893 PolarHBondContact O-N 3.43Å |
| 890 | I | 92.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 28.2 Ų | 28.2 | 5% | 0.046 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.5 | -37.9 | 178.3 | -58.8 | -34.9 | 0 | 0 | 0 | 110.1 | W886 G887 L893 S894 F914 L933 | W886-I890 HydrophobicContact CE3-CG1 4.12Å; W886-I890 WeakPolarHBondContact O-CG1 3.41Å; W886-I890 PolarHBondContact O-N 2.98Å; G887-I890 PolarHBondContact O-N 2.97Å; I890-L893 HydrophobicContact CD1-CD1 3.93Å; I890-S894 WeakPolarHBondContact O-CB 3.3Å; I890-S894 PolarHBondContact O-N 2.93Å; I890-S894 PolarHBondContact O-OG 2.96Å; I890-F914 HydrophobicContact CD1-CD1 4.5Å; I890-F914 HydrophobicContact CG2-CE1 4.35Å; I890-L933 HydrophobicContact CD1-CD2 3.55Å; I890-L933 HydrophobicContact CD1-CG 4.36Å; I890-L933 HydrophobicContact CG1-CD2 3.95Å; I890-L933 HydrophobicContact CG1-CG 4.35Å; I890-L933 HydrophobicContact CG2-CD2 4.19Å |
| 891 | A | 92 | Very high | 90.3 | Very high | 45 Ų | 45 | 31 Ų | 31 | 37% | 0.372 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F539 G887 T889 F895 | F539-A891 HydrophobicContact CZ-CB 3.97Å; G887-A891 WeakPolarHBondContact O-CB 3.49Å; G887-A891 PolarHBondContact O-N 3.11Å; T889-A891 VanDerWaalsContact C-N 3.33Å; T889-A891 PolarHBondContact O-N 2.91Å; A891-F895 WeakPolarHBondContact O-CB 3.36Å; A891-F895 PolarHBondContact O-N 3.03Å |
| 892 | A | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -51.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A538 L552 L555 P888 T889 S894 F895 V896 | A538-A892 HydrophobicContact CB-CB 3.77Å; L552-A892 HydrophobicContact CD1-CB 4.16Å; L555-A892 HydrophobicContact CD1-CB 4Å; P888-A892 WeakPolarHBondContact O-CB 3.36Å; P888-A892 PolarHBondContact O-N 3.23Å; T889-A892 PolarHBondContact O-N 2.93Å; A892-S894 VanDerWaalsContact C-N 3.3Å; A892-S894 PolarHBondContact O-N 3.33Å; A892-F895 PolarHBondContact O-N 3.24Å; A892-V896 WeakPolarHBondContact O-CG2 3.41Å; A892-V896 PolarHBondContact O-N 3.11Å |
| 893 | L | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.3 | -47 | 177.2 | -75.9 | 168.9 | 0 | 0 | 0 | 111.4 | L552 L556 T889 I890 F897 I910 F914 | L552-L893 HydrophobicContact CD1-CD2 3.84Å; L552-L893 HydrophobicContact CD1-CG 4.11Å; L552-L893 HydrophobicContact CD2-CD2 4.45Å; L556-L893 HydrophobicContact CD1-CD2 4.46Å; L556-L893 HydrophobicContact CD2-CD1 4.48Å; L556-L893 HydrophobicContact CD2-CD2 4.13Å; T889-L893 HydrophobicContact CG2-CD1 3.85Å; T889-L893 HydrophobicContact CG2-CG 4.19Å; T889-L893 WeakPolarHBondContact O-CB 3.19Å; T889-L893 VanDerWaalsContact O-CG 3.28Å; T889-L893 WeakPolarHBondContact O-CG 3.47Å; T889-L893 PolarHBondContact O-N 3.43Å; I890-L893 HydrophobicContact CD1-CD1 3.93Å; L893-F897 VanDerWaalsContact O-CB 3.25Å; L893-F897 WeakPolarHBondContact O-CB 3.3Å; L893-F897 PolarHBondContact O-N 3.45Å; L893-I910 HydrophobicContact CB-CG2 4.18Å; L893-I910 HydrophobicContact CD2-CB 4.12Å; L893-I910 HydrophobicContact CD2-CG1 4.18Å; L893-I910 HydrophobicContact CD2-CG2 3.78Å; L893-F914 HydrophobicContact CB-CD1 4.23Å; L893-F914 HydrophobicContact CB-CE1 3.63Å; L893-F914 HydrophobicContact CB-CZ 3.82Å; L893-F914 HydrophobicContact CD1-CD1 4.04Å; L893-F914 HydrophobicContact CD1-CE1 4.25Å |
| 894 | S | 91.7 | Very high | 87.4 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | -179.8 | -59.4 | 0 | 0 | 0 | 0 | 112 | I890 A892 F897 D898 F940 | I890-S894 WeakPolarHBondContact O-CB 3.3Å; I890-S894 PolarHBondContact O-N 2.93Å; I890-S894 PolarHBondContact O-OG 2.96Å; A892-S894 VanDerWaalsContact C-N 3.3Å; A892-S894 PolarHBondContact O-N 3.33Å; S894-F897 PolarHBondContact O-N 3.28Å; S894-D898 PolarHBondContact O-N 3.11Å; S894-F940 WeakPolarHBondContact O-CZ 3.24Å |
| 895 | F | 89.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 28% | 0.281 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.9 | -39.1 | -179.5 | -170.2 | -86.1 | 0 | 0 | 0 | 112.7 | F539 P540 A891 A892 F897 D898 K899 | F539-F895 HydrophobicContact CB-CD1 4.06Å; F539-F895 HydrophobicContact CB-CE1 4.01Å; F539-F895 HydrophobicContact CD1-CB 3.6Å; F539-F895 AromaticContact CD1-CD1 3.59Å; F539-F895 HydrophobicContact CD1-CD1 3.59Å; F539-F895 AromaticContact CD1-CD2 3.65Å; F539-F895 HydrophobicContact CD1-CD2 3.65Å; F539-F895 HydrophobicContact CD1-CE1 4.1Å; F539-F895 HydrophobicContact CD1-CE2 4.15Å; F539-F895 AromaticContact CD1-CG 3.33Å; F539-F895 HydrophobicContact CD1-CG 3.33Å; F539-F895 HydrophobicContact CD1-CZ 4.35Å; F539-F895 HydrophobicContact CE1-CB 3.61Å; F539-F895 HydrophobicContact CE1-CD1 4.47Å; F539-F895 HydrophobicContact CE1-CD2 4.08Å; F539-F895 AromaticContact CE1-CG 3.82Å; F539-F895 HydrophobicContact CE1-CG 3.82Å; F539-F895 HydrophobicContact CG-CD1 4.19Å; F539-F895 HydrophobicContact CG-CG 4.33Å; P540-F895 HydrophobicContact CG-CD1 4.27Å; P540-F895 HydrophobicContact CG-CE1 3.99Å; P540-F895 WeakPolarHBondContact O-CE1 3.29Å; A891-F895 WeakPolarHBondContact O-CB 3.36Å; A891-F895 PolarHBondContact O-N 3.03Å; A892-F895 PolarHBondContact O-N 3.24Å; F895-F897 VanDerWaalsContact C-N 3.34Å; F895-D898 WeakPolarHBondContact O-CB 3.41Å; F895-D898 PolarHBondContact O-N 2.89Å; F895-K899 HydrophobicContact CD1-CG 3.94Å; F895-K899 HydrophobicContact CE1-CG 3.57Å; F895-K899 HydrophobicContact CZ-CG 3.95Å; F895-K899 WeakPolarHBondContact O-CG 3.33Å; F895-K899 PolarHBondContact O-N 3.25Å |
| 896 | V | 88 | Confident | 86.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.6 | -36 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | A538 L544 L552 A892 D898 K899 T900 I906 I910 | A538-V896 WeakPolarHBondContact O-CG2 3.38Å; L544-V896 HydrophobicContact CD1-CG1 3.95Å; L544-V896 HydrophobicContact CD2-CG1 4.39Å; L552-V896 HydrophobicContact CD2-CB 4.44Å; L552-V896 HydrophobicContact CD2-CG1 4.32Å; L552-V896 HydrophobicContact CD2-CG2 4.41Å; A892-V896 WeakPolarHBondContact O-CG2 3.41Å; A892-V896 PolarHBondContact O-N 3.11Å; V896-D898 VanDerWaalsContact C-N 3.31Å; V896-D898 PolarHBondContact O-N 3.04Å; V896-K899 PolarHBondContact O-N 2.91Å; V896-T900 WeakPolarHBondContact O-CB 3.39Å; V896-T900 PolarHBondContact O-N 3.44Å; V896-T900 PolarHBondContact O-OG1 2.85Å; V896-I906 HydrophobicContact CG1-CG2 4.48Å; V896-I910 HydrophobicContact CB-CD1 4.12Å; V896-I910 HydrophobicContact CG1-CD1 3.72Å |
| 897 | F | 89.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 173.5 | -164.7 | -88.6 | 0 | 0 | 0 | 111.7 | L893 S894 F895 I907 I910 I911 F914 F940 K965 A969 | L893-F897 VanDerWaalsContact O-CB 3.25Å; L893-F897 WeakPolarHBondContact O-CB 3.3Å; L893-F897 PolarHBondContact O-N 3.45Å; S894-F897 PolarHBondContact O-N 3.28Å; F895-F897 VanDerWaalsContact C-N 3.34Å; F897-I907 HydrophobicContact CE2-CG2 3.84Å; F897-I910 HydrophobicContact CB-CG2 4.06Å; F897-I910 HydrophobicContact CD2-CB 4.34Å; F897-I910 HydrophobicContact CD2-CG2 3.71Å; F897-I910 HydrophobicContact CG-CG2 4.36Å; F897-I911 HydrophobicContact CE2-CD1 3.8Å; F897-I911 HydrophobicContact CE2-CG1 4.15Å; F897-I911 HydrophobicContact CZ-CD1 4.42Å; F897-F914 HydrophobicContact CD2-CE2 4.29Å; F897-F940 HydrophobicContact CB-CZ 4.48Å; F897-F940 HydrophobicContact CD1-CB 3.98Å; F897-F940 AromaticContact CD1-CD1 3.58Å; F897-F940 HydrophobicContact CD1-CD1 3.58Å; F897-F940 HydrophobicContact CD1-CD2 4.04Å; F897-F940 HydrophobicContact CD1-CE1 4.07Å; F897-F940 HydrophobicContact CD1-CE2 4.49Å; F897-F940 AromaticContact CD1-CG 3.58Å; F897-F940 HydrophobicContact CD1-CG 3.58Å; F897-F940 HydrophobicContact CE1-CB 3.7Å; F897-F940 HydrophobicContact CE1-CD1 4.08Å; F897-F940 AromaticContact CE1-CG 3.86Å; F897-F940 HydrophobicContact CE1-CG 3.86Å; F897-F940 HydrophobicContact CG-CG 4.5Å; F897-K965 HydrophobicContact CE1-CB 3.89Å; F897-K965 HydrophobicContact CE1-CD 4.24Å; F897-K965 HydrophobicContact CE1-CG 4.47Å; F897-K965 HydrophobicContact CZ-CB 3.78Å; F897-K965 HydrophobicContact CZ-CG 4.37Å; F897-K965 WeakPolarHBondContact O-CE 3.23Å; F897-K965 PolarHBondContact O-NZ 3.39Å; F897-A969 HydrophobicContact CE1-CB 4.34Å; F897-A969 HydrophobicContact CZ-CB 4.06Å |
| 898 | D | 86.5 | Confident | 86.2 | Confident | 79 Ų | 79 | 46.6 Ų | 46.6 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -52.6 | 173.9 | -167.6 | 70.9 | 0 | 0 | 0 | 111.2 | S894 F895 V896 F940 K965 | S894-D898 PolarHBondContact O-N 3.11Å; F895-D898 WeakPolarHBondContact O-CB 3.41Å; F895-D898 PolarHBondContact O-N 2.89Å; V896-D898 VanDerWaalsContact C-N 3.31Å; V896-D898 PolarHBondContact O-N 3.04Å; D898-F940 HydrophobicContact CB-CE1 4.13Å; D898-K965 PolarHBondContact O-NZ 3.26Å |
| 899 | K | 83.4 | Confident | 86 | Confident | 111 Ų | 111 | 50.2 Ų | 50.2 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -84.3 | -17.7 | -168.3 | -60.1 | -46.3 | -179.5 | -153.1 | 0 | 117.6 | P540 F895 V896 | P540-K899 HydrophobicContact CG-CB 3.94Å; P540-K899 HydrophobicContact CG-CG 4.29Å; F895-K899 HydrophobicContact CD1-CG 3.94Å; F895-K899 HydrophobicContact CE1-CG 3.57Å; F895-K899 HydrophobicContact CZ-CG 3.95Å; F895-K899 WeakPolarHBondContact O-CG 3.33Å; F895-K899 PolarHBondContact O-N 3.25Å; V896-K899 PolarHBondContact O-N 2.91Å |
| 900 | T | 82.7 | Confident | 85.9 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | trans | -64.4 | 152.4 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | V896 Q903 I906 I907 K965 | V896-T900 WeakPolarHBondContact O-CB 3.39Å; V896-T900 PolarHBondContact O-N 3.44Å; V896-T900 PolarHBondContact O-OG1 2.85Å; T900-Q903 HydrophobicContact CG2-CB 3.96Å; T900-I906 HydrophobicContact CG2-CG2 4.46Å; T900-I907 HydrophobicContact CG2-CG1 4.41Å; T900-K965 WeakPolarHBondContact O-CE 3.4Å; T900-K965 PolarHBondContact O-NZ 3.21Å | ||
| 901 | A | 72 | Confident | 85.9 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | trans | -124.5 | 128.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q903 | A901-Q903 WeakPolarHBondContact O-CG 3.11Å; A901-Q903 PolarHBondContact O-N 3.47Å | ||
| 902 | E | 64.2 | Low | 86.1 | Confident | 182 Ų | 182 | 50.6 Ų | 50.6 | 85% | 0.85 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 47.2 | 31.5 | 164.3 | -61.4 | 176.6 | 179.7 | 0 | 0 | 117.1 | ||
| 903 | Q | 77.4 | Confident | 86.2 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | trans | -112.2 | 82 | 176.6 | -74.7 | 179.2 | -7.4 | 0 | 0 | 111.1 | T900 A901 A905 I906 I907 | T900-Q903 HydrophobicContact CG2-CB 3.96Å; A901-Q903 WeakPolarHBondContact O-CG 3.11Å; A901-Q903 PolarHBondContact O-N 3.47Å; Q903-A905 PolarHBondContact O-N 2.83Å; Q903-A905 VanDerWaalsContact O-N 3.11Å; Q903-I906 HydrophobicContact CB-CB 4.38Å; Q903-I906 HydrophobicContact CB-CG1 4.38Å; Q903-I906 PolarHBondContact O-N 3.29Å; Q903-I906 VanDerWaalsContact OE1-CD1 3.24Å; Q903-I907 WeakPolarHBondContact O-CG1 3.43Å; Q903-I907 PolarHBondContact O-N 2.99Å | ||
| 904 | D | 79.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 50.6 Ų | 50.6 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -52 | -36.1 | -176.7 | -70.2 | -21.1 | 0 | 0 | 0 | 113.7 | I906 I907 G908 | D904-I906 VanDerWaalsContact C-N 3.34Å; D904-I906 PolarHBondContact O-N 3.42Å; D904-I907 PolarHBondContact O-N 3.43Å; D904-G908 PolarHBondContact O-N 2.82Å |
| 905 | A | 85.5 | Confident | 86.6 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 67% | 0.669 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q903 R909 | Q903-A905 PolarHBondContact O-N 2.83Å; Q903-A905 VanDerWaalsContact O-N 3.11Å; A905-R909 VanDerWaalsContact O-CG 3.3Å; A905-R909 WeakPolarHBondContact O-CG 3.45Å; A905-R909 PolarHBondContact O-N 2.76Å |
| 906 | I | 86.3 | Confident | 87 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -76.8 | -42.6 | 176.8 | -61.3 | -168.8 | 0 | 0 | 0 | 110.1 | L544 I549 V896 T900 Q903 D904 G908 R909 I910 | L544-I906 HydrophobicContact CD2-CD1 3.61Å; L544-I906 HydrophobicContact CD2-CG2 4.42Å; I549-I906 HydrophobicContact CD1-CD1 3.65Å; I549-I906 HydrophobicContact CG1-CD1 4.23Å; V896-I906 HydrophobicContact CG1-CG2 4.48Å; T900-I906 HydrophobicContact CG2-CG2 4.46Å; Q903-I906 HydrophobicContact CB-CB 4.38Å; Q903-I906 HydrophobicContact CB-CG1 4.38Å; Q903-I906 PolarHBondContact O-N 3.29Å; Q903-I906 VanDerWaalsContact OE1-CD1 3.24Å; D904-I906 VanDerWaalsContact C-N 3.34Å; D904-I906 PolarHBondContact O-N 3.42Å; I906-G908 VanDerWaalsContact C-N 3.31Å; I906-G908 PolarHBondContact O-N 2.73Å; I906-R909 PolarHBondContact O-N 2.89Å; I906-R909 VanDerWaalsContact O-N 3.12Å; I906-I910 HydrophobicContact CG2-CD1 3.84Å; I906-I910 HydrophobicContact CG2-CG1 4.44Å; I906-I910 WeakPolarHBondContact O-CG1 3.15Å; I906-I910 PolarHBondContact O-N 2.91Å |
| 907 | I | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.9 | -60.3 | 160.7 | 0 | 0 | 0 | 110.4 | F897 T900 Q903 D904 R909 I910 I911 K965 M968 | F897-I907 HydrophobicContact CE2-CG2 3.84Å; T900-I907 HydrophobicContact CG2-CG1 4.41Å; Q903-I907 WeakPolarHBondContact O-CG1 3.43Å; Q903-I907 PolarHBondContact O-N 2.99Å; D904-I907 PolarHBondContact O-N 3.43Å; I907-R909 VanDerWaalsContact C-N 3.35Å; I907-R909 PolarHBondContact O-N 3.49Å; I907-I910 PolarHBondContact O-N 2.84Å; I907-I911 HydrophobicContact CG2-CG1 4.32Å; I907-I911 WeakPolarHBondContact O-CB 3.32Å; I907-I911 WeakPolarHBondContact O-CG1 3.36Å; I907-I911 PolarHBondContact O-N 3.45Å; I907-K965 HydrophobicContact CD1-CG 3.83Å; I907-K965 HydrophobicContact CG1-CG 4.4Å; I907-M968 HydrophobicContact CB-CE 4.32Å; I907-M968 HydrophobicContact CD1-CE 4.43Å; I907-M968 HydrophobicContact CG2-CE 3.61Å; I907-M968 HydrophobicContact CG2-SD 3.86Å |
| 908 | G | 90 | Very high | 87.7 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D904 I906 S912 | D904-G908 PolarHBondContact O-N 2.82Å; I906-G908 VanDerWaalsContact C-N 3.31Å; I906-G908 PolarHBondContact O-N 2.73Å; G908-S912 WeakPolarHBondContact O-CB 3.47Å; G908-S912 PolarHBondContact O-N 2.98Å |
| 909 | R | 89.7 | Confident | 88.1 | Confident | 113 Ų | 113 | 50.4 Ų | 50.4 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 173.6 | -68.4 | 177.7 | 87.9 | -156.4 | 3.6 | 112 | D553 A905 I906 I907 S912 G913 | D553-R909 IonicContact OD1-CZ 3.65Å; D553-R909 IonicContact OD1-NH1 3.84Å; D553-R909 PolarHBondContact OD1-NH1 2.91Å; D553-R909 IonicContact OD1-NH2 3.92Å; D553-R909 PolarHBondContact OD1-NH2 3Å; D553-R909 IonicContact OD2-CZ 3.13Å; D553-R909 IonicContact OD2-NH1 2.73Å; D553-R909 PolarHBondContact OD2-NH1 3.33Å; D553-R909 IonicContact OD2-NH2 2.69Å; D553-R909 PolarHBondContact OD2-NH2 3.28Å; A905-R909 VanDerWaalsContact O-CG 3.3Å; A905-R909 WeakPolarHBondContact O-CG 3.45Å; A905-R909 PolarHBondContact O-N 2.76Å; I906-R909 PolarHBondContact O-N 2.89Å; I906-R909 VanDerWaalsContact O-N 3.12Å; I907-R909 VanDerWaalsContact C-N 3.35Å; I907-R909 PolarHBondContact O-N 3.49Å; R909-S912 WeakPolarHBondContact O-CB 3.46Å; R909-S912 PolarHBondContact O-N 2.82Å; R909-G913 PolarHBondContact O-N 3.24Å |
| 910 | I | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 176.9 | -64.5 | 162.1 | 0 | 0 | 0 | 111.3 | L552 L893 V896 F897 I906 I907 S912 G913 F914 | L552-I910 HydrophobicContact CD2-CG1 4.08Å; L893-I910 HydrophobicContact CB-CG2 4.18Å; L893-I910 HydrophobicContact CD2-CB 4.12Å; L893-I910 HydrophobicContact CD2-CG1 4.18Å; L893-I910 HydrophobicContact CD2-CG2 3.78Å; V896-I910 HydrophobicContact CB-CD1 4.12Å; V896-I910 HydrophobicContact CG1-CD1 3.72Å; F897-I910 HydrophobicContact CB-CG2 4.06Å; F897-I910 HydrophobicContact CD2-CB 4.34Å; F897-I910 HydrophobicContact CD2-CG2 3.71Å; F897-I910 HydrophobicContact CG-CG2 4.36Å; I906-I910 HydrophobicContact CG2-CD1 3.84Å; I906-I910 HydrophobicContact CG2-CG1 4.44Å; I906-I910 WeakPolarHBondContact O-CG1 3.15Å; I906-I910 PolarHBondContact O-N 2.91Å; I907-I910 PolarHBondContact O-N 2.84Å; I910-S912 VanDerWaalsContact C-N 3.3Å; I910-S912 PolarHBondContact O-N 3.4Å; I910-G913 WeakPolarHBondContact O-CA 3.49Å; I910-G913 PolarHBondContact O-N 2.9Å; I910-G913 VanDerWaalsContact O-N 3.09Å; I910-F914 HydrophobicContact CG2-CD2 3.98Å; I910-F914 HydrophobicContact CG2-CE2 3.6Å; I910-F914 HydrophobicContact CG2-CZ 4.23Å; I910-F914 WeakPolarHBondContact O-CD2 3.43Å; I910-F914 PolarHBondContact O-N 3.15Å |
| 911 | I | 93.6 | Very high | 89.4 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 174.1 | -70.1 | -64.8 | 0 | 0 | 0 | 111.1 | F897 I907 F914 R915 M968 T972 | F897-I911 HydrophobicContact CE2-CD1 3.8Å; F897-I911 HydrophobicContact CE2-CG1 4.15Å; F897-I911 HydrophobicContact CZ-CD1 4.42Å; I907-I911 HydrophobicContact CG2-CG1 4.32Å; I907-I911 WeakPolarHBondContact O-CB 3.32Å; I907-I911 WeakPolarHBondContact O-CG1 3.36Å; I907-I911 PolarHBondContact O-N 3.45Å; I911-F914 HydrophobicContact CD1-CD2 4.49Å; I911-F914 PolarHBondContact O-N 2.75Å; I911-R915 VanDerWaalsContact O-CG 3.3Å; I911-R915 WeakPolarHBondContact O-CG 3.36Å; I911-R915 PolarHBondContact O-N 2.81Å; I911-M968 HydrophobicContact CD1-CB 4.42Å; I911-M968 HydrophobicContact CG1-CB 4.42Å; I911-T972 HydrophobicContact CD1-CG2 4.46Å; I911-T972 HydrophobicContact CG2-CG2 4.19Å; I911-T972 WeakPolarHBondContact CG2-OG1 3.33Å |
| 912 | S | 94.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 171.6 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | G908 R909 I910 F914 R915 K916 | G908-S912 WeakPolarHBondContact O-CB 3.47Å; G908-S912 PolarHBondContact O-N 2.98Å; R909-S912 WeakPolarHBondContact O-CB 3.46Å; R909-S912 PolarHBondContact O-N 2.82Å; I910-S912 VanDerWaalsContact C-N 3.3Å; I910-S912 PolarHBondContact O-N 3.4Å; S912-F914 PolarHBondContact O-N 2.93Å; S912-R915 PolarHBondContact O-N 2.69Å; S912-K916 WeakPolarHBondContact O-CG 3.1Å; S912-K916 PolarHBondContact O-N 2.76Å |
| 913 | G | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.8 | -46.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | R909 I910 S917 | R909-G913 PolarHBondContact O-N 3.24Å; I910-G913 WeakPolarHBondContact O-CA 3.49Å; I910-G913 PolarHBondContact O-N 2.9Å; I910-G913 VanDerWaalsContact O-N 3.09Å; G913-S917 WeakPolarHBondContact O-CB 3.13Å; G913-S917 PolarHBondContact O-N 3.03Å; G913-S917 PolarHBondContact O-OG 2.87Å |
| 914 | F | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 173.6 | -71.4 | -48.9 | 0 | 0 | 0 | 111.9 | I890 L893 F897 I910 I911 S912 S917 A918 L933 L937 F940 | I890-F914 HydrophobicContact CD1-CD1 4.5Å; I890-F914 HydrophobicContact CG2-CE1 4.35Å; L893-F914 HydrophobicContact CB-CD1 4.23Å; L893-F914 HydrophobicContact CB-CE1 3.63Å; L893-F914 HydrophobicContact CB-CZ 3.82Å; L893-F914 HydrophobicContact CD1-CD1 4.04Å; L893-F914 HydrophobicContact CD1-CE1 4.25Å; F897-F914 HydrophobicContact CD2-CE2 4.29Å; I910-F914 HydrophobicContact CG2-CD2 3.98Å; I910-F914 HydrophobicContact CG2-CE2 3.6Å; I910-F914 HydrophobicContact CG2-CZ 4.23Å; I910-F914 WeakPolarHBondContact O-CD2 3.43Å; I910-F914 PolarHBondContact O-N 3.15Å; I911-F914 HydrophobicContact CD1-CD2 4.49Å; I911-F914 PolarHBondContact O-N 2.75Å; S912-F914 PolarHBondContact O-N 2.93Å; F914-S917 PolarHBondContact O-N 2.66Å; F914-A918 WeakPolarHBondContact O-CB 3.41Å; F914-A918 PolarHBondContact O-N 3.1Å; F914-L933 HydrophobicContact CB-CD2 4.42Å; F914-L933 HydrophobicContact CD1-CD2 3.6Å; F914-L933 HydrophobicContact CE1-CD2 4.36Å; F914-L933 HydrophobicContact CG-CD2 4.45Å; F914-L937 HydrophobicContact CD2-CD2 3.93Å; F914-L937 HydrophobicContact CE2-CD2 4.16Å; F914-L937 HydrophobicContact CG-CD2 4.44Å; F914-F940 HydrophobicContact CZ-CE2 4.41Å |
| 915 | R | 96.5 | Very high | 93.3 | Very high | 92 Ų | 92 | 33 Ų | 33 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 179.6 | -71.6 | 174.5 | -172.3 | -146.4 | 1.1 | 112.8 | I911 S912 A918 A919 T972 L976 | I911-R915 VanDerWaalsContact O-CG 3.3Å; I911-R915 WeakPolarHBondContact O-CG 3.36Å; I911-R915 PolarHBondContact O-N 2.81Å; S912-R915 PolarHBondContact O-N 2.69Å; R915-A918 PolarHBondContact O-N 3.18Å; R915-A919 PolarHBondContact O-N 3.47Å; R915-T972 HydrophobicContact CG-CG2 3.76Å; R915-T972 PolarHBondContact NE-OG1 3.37Å; R915-T972 PolarHBondContact NH2-OG1 2.71Å; R915-L976 HydrophobicContact CG-CD2 4.3Å |
| 916 | K | 96.5 | Very high | 93.7 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 17% | 0.17 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.7 | -42.3 | 176.6 | -68.5 | -175 | -179.5 | -169 | 0 | 112.1 | I559 D560 E563 S912 A918 A919 I920 | I559-K916 HydrophobicContact CG2-CB 3.61Å; D560-K916 WeakPolarHBondContact OD1-CD 3.38Å; D560-K916 WeakPolarHBondContact OD1-CE 3.23Å; D560-K916 IonicContact OD1-NZ 2.81Å; D560-K916 PolarHBondContact OD1-NZ 2.76Å; D560-K916 IonicContact OD2-NZ 2.72Å; D560-K916 PolarHBondContact OD2-NZ 3.26Å; E563-K916 HydrophobicContact CB-CB 4.14Å; E563-K916 HydrophobicContact CB-CD 4.39Å; E563-K916 HydrophobicContact CB-CG 4.36Å; E563-K916 HydrophobicContact CG-CB 3.96Å; E563-K916 HydrophobicContact CG-CD 4.31Å; E563-K916 HydrophobicContact CG-CG 3.9Å; E563-K916 WeakPolarHBondContact OE2-CD 3.44Å; E563-K916 WeakPolarHBondContact OE2-CE 3.43Å; E563-K916 IonicContact OE2-NZ 2.71Å; S912-K916 WeakPolarHBondContact O-CG 3.1Å; S912-K916 PolarHBondContact O-N 2.76Å; K916-A918 VanDerWaalsContact C-N 3.27Å; K916-A918 PolarHBondContact O-N 3.11Å; K916-A919 PolarHBondContact O-N 3.06Å; K916-A919 VanDerWaalsContact O-N 3.15Å; K916-I920 VanDerWaalsContact O-CG1 3.29Å; K916-I920 WeakPolarHBondContact O-CG1 3.5Å; K916-I920 PolarHBondContact O-N 3.28Å |
| 917 | S | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 174.8 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | G913 F914 I920 A921 | G913-S917 WeakPolarHBondContact O-CB 3.13Å; G913-S917 PolarHBondContact O-N 3.03Å; G913-S917 PolarHBondContact O-OG 2.87Å; F914-S917 PolarHBondContact O-N 2.66Å; S917-I920 PolarHBondContact O-N 3.35Å; S917-A921 WeakPolarHBondContact O-CB 3.26Å; S917-A921 PolarHBondContact O-N 3.06Å |
| 918 | A | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | F914 R915 K916 I920 A921 A922 F930 L933 L976 | F914-A918 WeakPolarHBondContact O-CB 3.41Å; F914-A918 PolarHBondContact O-N 3.1Å; R915-A918 PolarHBondContact O-N 3.18Å; K916-A918 VanDerWaalsContact C-N 3.27Å; K916-A918 PolarHBondContact O-N 3.11Å; A918-I920 VanDerWaalsContact C-N 3.34Å; A918-I920 PolarHBondContact O-N 3.04Å; A918-A921 PolarHBondContact O-N 2.9Å; A918-A922 WeakPolarHBondContact O-CB 3.29Å; A918-A922 PolarHBondContact O-N 3.28Å; A918-F930 HydrophobicContact CB-CD2 3.87Å; A918-F930 HydrophobicContact CB-CE2 3.78Å; A918-L933 HydrophobicContact CB-CD1 4.06Å; A918-L976 HydrophobicContact CB-CD1 3.82Å; A918-L976 HydrophobicContact CB-CD2 3.61Å; A918-L976 HydrophobicContact CB-CG 4.3Å |
| 919 | A | 95.7 | Very high | 94.6 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 26% | 0.264 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E563 R915 K916 H923 | E563-A919 HydrophobicContact CG-CB 4.5Å; R915-A919 PolarHBondContact O-N 3.47Å; K916-A919 PolarHBondContact O-N 3.06Å; K916-A919 VanDerWaalsContact O-N 3.15Å; A919-H923 WeakPolarHBondContact O-CB 3.22Å; A919-H923 PolarHBondContact O-N 3.02Å |
| 920 | I | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 172.5 | -61.4 | 163.4 | 0 | 0 | 0 | 110.5 | I559 I562 E563 F882 K916 S917 A918 A922 H923 Y924 | I559-I920 HydrophobicContact CD1-CD1 4.45Å; I559-I920 HydrophobicContact CG2-CD1 3.92Å; I562-I920 HydrophobicContact CB-CD1 3.97Å; I562-I920 HydrophobicContact CG2-CD1 3.83Å; I562-I920 HydrophobicContact CG2-CG1 3.98Å; I562-I920 HydrophobicContact CG2-CG2 3.74Å; E563-I920 HydrophobicContact CB-CD1 4.04Å; E563-I920 HydrophobicContact CB-CG1 3.93Å; F882-I920 HydrophobicContact CB-CG2 4.23Å; F882-I920 HydrophobicContact CD1-CG2 3.69Å; F882-I920 HydrophobicContact CD2-CB 4.21Å; F882-I920 HydrophobicContact CD2-CD1 3.94Å; F882-I920 HydrophobicContact CD2-CG2 3.58Å; F882-I920 HydrophobicContact CE1-CB 4.35Å; F882-I920 HydrophobicContact CE1-CG2 3.82Å; F882-I920 HydrophobicContact CE2-CB 3.87Å; F882-I920 HydrophobicContact CE2-CD1 3.81Å; F882-I920 HydrophobicContact CE2-CG1 4.48Å; F882-I920 HydrophobicContact CE2-CG2 3.72Å; F882-I920 HydrophobicContact CG-CG2 3.55Å; F882-I920 HydrophobicContact CZ-CB 3.94Å; F882-I920 HydrophobicContact CZ-CG2 3.83Å; K916-I920 VanDerWaalsContact O-CG1 3.29Å; K916-I920 WeakPolarHBondContact O-CG1 3.5Å; K916-I920 PolarHBondContact O-N 3.28Å; S917-I920 PolarHBondContact O-N 3.35Å; A918-I920 VanDerWaalsContact C-N 3.34Å; A918-I920 PolarHBondContact O-N 3.04Å; I920-A922 VanDerWaalsContact C-N 3.3Å; I920-A922 PolarHBondContact O-N 3.2Å; I920-H923 PolarHBondContact O-N 3.27Å; I920-Y924 HydrophobicContact CG2-CD2 3.68Å; I920-Y924 HydrophobicContact CG2-CE2 3.78Å; I920-Y924 WeakPolarHBondContact O-CD2 3.46Å; I920-Y924 PolarHBondContact O-N 2.76Å; I920-Y924 VanDerWaalsContact O-N 3.07Å |
| 921 | A | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F882 S917 A918 Y924 S925 M926 V929 F930 I983 | F882-A921 HydrophobicContact CE1-CB 4.47Å; S917-A921 WeakPolarHBondContact O-CB 3.26Å; S917-A921 PolarHBondContact O-N 3.06Å; A918-A921 PolarHBondContact O-N 2.9Å; A921-Y924 CarbonylContact O-C 3.6Å; A921-Y924 PolarHBondContact O-N 3.29Å; A921-S925 CarbonylContact O-C 3.11Å; A921-S925 WeakPolarHBondContact O-CA 3.14Å; A921-S925 PolarHBondContact O-N 3.5Å; A921-M926 HydrophobicContact CB-CB 4.25Å; A921-M926 PolarHBondContact O-N 3.23Å; A921-V929 HydrophobicContact CB-CB 4.12Å; A921-V929 HydrophobicContact CB-CG1 4.08Å; A921-F930 HydrophobicContact CB-CB 4.28Å; A921-I983 HydrophobicContact CB-CD1 4.16Å |
| 922 | A | 94.1 | Very high | 95 | Very high | 25 Ų | 25 | 30.3 Ų | 30.3 | 21% | 0.207 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A918 I920 Y924 S925 H980 I983 | A918-A922 WeakPolarHBondContact O-CB 3.29Å; A918-A922 PolarHBondContact O-N 3.28Å; I920-A922 VanDerWaalsContact C-N 3.3Å; I920-A922 PolarHBondContact O-N 3.2Å; A922-Y924 VanDerWaalsContact C-N 3.27Å; A922-Y924 PolarHBondContact O-N 2.66Å; A922-S925 PolarHBondContact O-N 3.13Å; A922-H980 HydrophobicContact CB-CB 4.21Å; A922-I983 HydrophobicContact CB-CD1 4.21Å |
| 923 | H | 93.5 | Very high | 95.1 | Very high | 59 Ų | 59 | 28 Ų | 28 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.5 | -31.8 | 178 | 177.8 | -78.1 | 0 | 0 | 0 | 113.3 | C566 A919 I920 | C566-H923 HydrophobicContact CB-CB 4.15Å; A919-H923 WeakPolarHBondContact O-CB 3.22Å; A919-H923 PolarHBondContact O-N 3.02Å; I920-H923 PolarHBondContact O-N 3.27Å |
| 924 | Y | 93.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 28 Ų | 28 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.3 | 178.2 | -64.1 | -64.3 | 0 | 0 | 0 | 114.4 | I562 R569 D878 H879 I920 A921 A922 M926 | I562-Y924 HydrophobicContact CG2-CE2 4.35Å; R569-Y924 PolarHBondContact NH1-OH 2.66Å; D878-Y924 VanDerWaalsContact CB-OH 3.29Å; D878-Y924 WeakPolarHBondContact CB-OH 3.33Å; H879-Y924 HydrophobicContact CB-CD1 4.26Å; H879-Y924 HydrophobicContact CB-CE1 4.03Å; H879-Y924 AromaticContact ND1-CD1 3.64Å; H879-Y924 AromaticContact ND1-CD2 3.94Å; H879-Y924 AromaticContact ND1-CG 3.46Å; I920-Y924 HydrophobicContact CG2-CD2 3.68Å; I920-Y924 HydrophobicContact CG2-CE2 3.78Å; I920-Y924 WeakPolarHBondContact O-CD2 3.46Å; I920-Y924 PolarHBondContact O-N 2.76Å; I920-Y924 VanDerWaalsContact O-N 3.07Å; A921-Y924 CarbonylContact O-C 3.6Å; A921-Y924 PolarHBondContact O-N 3.29Å; A922-Y924 VanDerWaalsContact C-N 3.27Å; A922-Y924 PolarHBondContact O-N 2.66Å; Y924-M926 PolarHBondContact O-N 3.02Å |
| 925 | S | 93.1 | Very high | 95 | Very high | 79 Ų | 79 | 30.9 Ų | 30.9 | 55% | 0.552 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 31 | -178.5 | -51.7 | 0 | 0 | 0 | 0 | 115.5 | A921 A922 C927 | A921-S925 CarbonylContact O-C 3.11Å; A921-S925 WeakPolarHBondContact O-CA 3.14Å; A921-S925 PolarHBondContact O-N 3.5Å; A922-S925 PolarHBondContact O-N 3.13Å; S925-C927 PolarHBondContact O-N 3.34Å; S925-C927 PolarHBondContact O-SG 2.91Å |
| 926 | M | 95 | Very high | 94.8 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | trans | -82.8 | 79 | -175.8 | -59.8 | 177.3 | 75.7 | 0 | 0 | 111.2 | H879 F882 L883 A921 Y924 D928 V929 F930 | H879-M926 VanDerWaalsContact CE1-SD 3.56Å; F882-M926 HydrophobicContact CD1-CE 4.03Å; F882-M926 HydrophobicContact CD1-SD 3.56Å; F882-M926 VanDerWaalsContact CD1-SD 3.56Å; F882-M926 HydrophobicContact CE1-CE 4.33Å; F882-M926 HydrophobicContact CE1-SD 3.82Å; L883-M926 HydrophobicContact CD2-CE 3.44Å; L883-M926 VanDerWaalsContact CD2-CE 3.44Å; L883-M926 HydrophobicContact CG-CE 3.78Å; A921-M926 HydrophobicContact CB-CB 4.25Å; A921-M926 PolarHBondContact O-N 3.23Å; Y924-M926 PolarHBondContact O-N 3.02Å; M926-D928 VanDerWaalsContact C-N 3.31Å; M926-D928 PolarHBondContact O-N 3.27Å; M926-V929 HydrophobicContact CB-CB 4.17Å; M926-V929 HydrophobicContact CB-CG2 3.97Å; M926-V929 HydrophobicContact CE-CG2 3.83Å; M926-V929 PolarHBondContact O-N 3.38Å; M926-F930 PolarHBondContact O-N 3.01Å | ||
| 927 | C | 94.5 | Very high | 94.8 | Very high | 28 Ų | 28 | 26 Ų | 26 | 19% | 0.189 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | -174.1 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | S925 V929 F930 D931 I983 R985 | S925-C927 PolarHBondContact O-N 3.34Å; S925-C927 PolarHBondContact O-SG 2.91Å; C927-V929 PolarHBondContact O-N 3.46Å; C927-F930 PolarHBondContact O-N 2.93Å; C927-D931 WeakPolarHBondContact O-CB 2.95Å; C927-D931 PolarHBondContact O-N 3.3Å; C927-I983 VanDerWaalsContact CA-O 3.24Å; C927-I983 WeakPolarHBondContact CA-O 3.34Å; C927-I983 VanDerWaalsContact CB-O 3.23Å; C927-I983 WeakPolarHBondContact CB-O 3.14Å; C927-I983 PolarHBondContact SG-O 3.41Å; C927-I983 VanDerWaalsContact SG-O 3.38Å; C927-R985 HydrophobicContact CB-CG 3.81Å |
| 928 | D | 93.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 26 Ų | 26 | 46% | 0.455 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.8 | 64.6 | -40.6 | 0 | 0 | 0 | 112.7 | M926 F930 N932 | M926-D928 VanDerWaalsContact C-N 3.31Å; M926-D928 PolarHBondContact O-N 3.27Å; D928-F930 VanDerWaalsContact C-N 3.34Å; D928-N932 PolarHBondContact O-N 3.06Å; D928-N932 VanDerWaalsContact O-N 3.16Å; D928-N932 PolarHBondContact O-ND2 3.3Å |
| 929 | V | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 175.2 | -179 | 0 | 0 | 0 | 0 | 110.8 | F882 W886 A921 M926 C927 L933 | F882-V929 HydrophobicContact CE1-CG1 3.94Å; F882-V929 HydrophobicContact CE1-CG2 4.4Å; F882-V929 HydrophobicContact CZ-CG1 3.94Å; W886-V929 HydrophobicContact CB-CG1 4.26Å; W886-V929 HydrophobicContact CD2-CB 4.27Å; W886-V929 HydrophobicContact CD2-CG1 3.84Å; W886-V929 HydrophobicContact CD2-CG2 3.62Å; W886-V929 HydrophobicContact CE3-CB 4.28Å; W886-V929 HydrophobicContact CE3-CG1 3.7Å; W886-V929 HydrophobicContact CE3-CG2 4.08Å; W886-V929 HydrophobicContact CG-CG1 4.09Å; W886-V929 HydrophobicContact CG-CG2 3.97Å; W886-V929 HydrophobicContact CH2-CG2 4.39Å; W886-V929 HydrophobicContact CZ2-CG2 3.99Å; W886-V929 HydrophobicContact CZ3-CG1 4.36Å; W886-V929 HydrophobicContact CZ3-CG2 4.43Å; A921-V929 HydrophobicContact CB-CB 4.12Å; A921-V929 HydrophobicContact CB-CG1 4.08Å; M926-V929 HydrophobicContact CB-CB 4.17Å; M926-V929 HydrophobicContact CB-CG2 3.97Å; M926-V929 HydrophobicContact CE-CG2 3.83Å; M926-V929 PolarHBondContact O-N 3.38Å; C927-V929 PolarHBondContact O-N 3.46Å; V929-L933 HydrophobicContact CG1-CD1 4.21Å; V929-L933 WeakPolarHBondContact O-CG 3.48Å; V929-L933 PolarHBondContact O-N 3.47Å |
| 930 | F | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.8 | -38.9 | -178.6 | -171.9 | -115.4 | 0 | 0 | 0 | 113.1 | A918 A921 M926 C927 D928 N932 L933 I934 L976 H980 I983 L984 | A918-F930 HydrophobicContact CB-CD2 3.87Å; A918-F930 HydrophobicContact CB-CE2 3.78Å; A921-F930 HydrophobicContact CB-CB 4.28Å; M926-F930 PolarHBondContact O-N 3.01Å; C927-F930 PolarHBondContact O-N 2.93Å; D928-F930 VanDerWaalsContact C-N 3.34Å; F930-N932 PolarHBondContact O-N 3.29Å; F930-L933 WeakPolarHBondContact O-CB 3.28Å; F930-L933 PolarHBondContact O-N 3.34Å; F930-I934 HydrophobicContact CD1-CG1 4.42Å; F930-I934 HydrophobicContact CE1-CG1 4.06Å; F930-I934 HydrophobicContact CE2-CD1 4.16Å; F930-I934 HydrophobicContact CE2-CG1 4.11Å; F930-I934 HydrophobicContact CZ-CD1 3.98Å; F930-I934 HydrophobicContact CZ-CG1 3.86Å; F930-I934 WeakPolarHBondContact O-CG1 3.43Å; F930-I934 PolarHBondContact O-N 3.37Å; F930-L976 HydrophobicContact CE2-CB 4.08Å; F930-L976 HydrophobicContact CZ-CB 4.18Å; F930-H980 HydrophobicContact CE1-CB 4.15Å; F930-H980 WeakPolarHBondContact CE1-O 3.39Å; F930-H980 HydrophobicContact CE2-CB 3.97Å; F930-H980 HydrophobicContact CZ-CB 3.65Å; F930-I983 HydrophobicContact CB-CD1 3.43Å; F930-I983 VanDerWaalsContact CB-CD1 3.43Å; F930-I983 HydrophobicContact CB-CG1 4.12Å; F930-I983 HydrophobicContact CD1-CD1 3.95Å; F930-I983 HydrophobicContact CD1-CG1 3.68Å; F930-I983 HydrophobicContact CD2-CD1 4.32Å; F930-I983 HydrophobicContact CE1-CG1 4.26Å; F930-I983 HydrophobicContact CG-CD1 3.65Å; F930-I983 HydrophobicContact CG-CG1 3.93Å; F930-L984 HydrophobicContact CD1-CB 4.13Å; F930-L984 HydrophobicContact CD1-CD1 3.64Å; F930-L984 HydrophobicContact CE1-CB 3.98Å; F930-L984 HydrophobicContact CE1-CD1 3.69Å; F930-L984 HydrophobicContact CE1-CG 4.36Å |
| 931 | D | 95.7 | Very high | 94.1 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.1 | -48.5 | 170.3 | -78.2 | -29.5 | 0 | 0 | 0 | 110.6 | C927 L933 I934 I935 L984 R985 E986 G987 | C927-D931 WeakPolarHBondContact O-CB 2.95Å; C927-D931 PolarHBondContact O-N 3.3Å; D931-L933 VanDerWaalsContact C-N 3.32Å; D931-L933 PolarHBondContact O-N 2.92Å; D931-I934 PolarHBondContact O-N 3.03Å; D931-I935 WeakPolarHBondContact O-CB 3.36Å; D931-I935 WeakPolarHBondContact O-CD1 3.43Å; D931-I935 WeakPolarHBondContact O-CG1 3.43Å; D931-I935 PolarHBondContact O-N 2.81Å; D931-L984 VanDerWaalsContact OD1-CD1 3.27Å; D931-L984 WeakPolarHBondContact OD1-CD1 3.42Å; D931-R985 PolarHBondContact OD1-N 2.91Å; D931-R985 WeakPolarHBondContact OD2-CB 3.32Å; D931-E986 VanDerWaalsContact CG-N 3.31Å; D931-E986 PolarHBondContact OD1-N 3.38Å; D931-E986 PolarHBondContact OD2-N 3.37Å; D931-G987 PolarHBondContact OD1-N 2.97Å |
| 932 | N | 93.8 | Very high | 93.9 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 40% | 0.401 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -36.9 | 177.7 | -82.7 | -79.6 | 0 | 0 | 0 | 113 | W886 D928 F930 S936 | W886-N932 HydrophobicContact CZ3-CB 4.14Å; D928-N932 PolarHBondContact O-N 3.06Å; D928-N932 VanDerWaalsContact O-N 3.16Å; D928-N932 PolarHBondContact O-ND2 3.3Å; F930-N932 PolarHBondContact O-N 3.29Å; N932-S936 WeakPolarHBondContact O-CB 3.41Å; N932-S936 PolarHBondContact O-N 3.23Å; N932-S936 VanDerWaalsContact O-N 3.14Å; N932-S936 PolarHBondContact O-OG 3.05Å |
| 933 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 173.2 | -81.9 | 164.8 | 0 | 0 | 0 | 111.8 | I890 F914 A918 V929 F930 D931 S936 L937 | I890-L933 HydrophobicContact CD1-CD2 3.55Å; I890-L933 HydrophobicContact CD1-CG 4.36Å; I890-L933 HydrophobicContact CG1-CD2 3.95Å; I890-L933 HydrophobicContact CG1-CG 4.35Å; I890-L933 HydrophobicContact CG2-CD2 4.19Å; F914-L933 HydrophobicContact CB-CD2 4.42Å; F914-L933 HydrophobicContact CD1-CD2 3.6Å; F914-L933 HydrophobicContact CE1-CD2 4.36Å; F914-L933 HydrophobicContact CG-CD2 4.45Å; A918-L933 HydrophobicContact CB-CD1 4.06Å; V929-L933 HydrophobicContact CG1-CD1 4.21Å; V929-L933 WeakPolarHBondContact O-CG 3.48Å; V929-L933 PolarHBondContact O-N 3.47Å; F930-L933 WeakPolarHBondContact O-CB 3.28Å; F930-L933 PolarHBondContact O-N 3.34Å; D931-L933 VanDerWaalsContact C-N 3.32Å; D931-L933 PolarHBondContact O-N 2.92Å; L933-S936 PolarHBondContact O-N 2.91Å; L933-L937 WeakPolarHBondContact O-CG 3.35Å; L933-L937 PolarHBondContact O-N 3.27Å |
| 934 | I | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | -179.9 | -68.4 | -56.8 | 0 | 0 | 0 | 111.1 | F930 D931 S936 L937 C938 L976 V977 L984 I991 | F930-I934 HydrophobicContact CD1-CG1 4.42Å; F930-I934 HydrophobicContact CE1-CG1 4.06Å; F930-I934 HydrophobicContact CE2-CD1 4.16Å; F930-I934 HydrophobicContact CE2-CG1 4.11Å; F930-I934 HydrophobicContact CZ-CD1 3.98Å; F930-I934 HydrophobicContact CZ-CG1 3.86Å; F930-I934 WeakPolarHBondContact O-CG1 3.43Å; F930-I934 PolarHBondContact O-N 3.37Å; D931-I934 PolarHBondContact O-N 3.03Å; I934-S936 VanDerWaalsContact C-N 3.25Å; I934-S936 PolarHBondContact O-N 3.05Å; I934-L937 CarbonylContact O-C 3.55Å; I934-L937 PolarHBondContact O-N 3.04Å; I934-C938 PolarHBondContact O-N 2.67Å; I934-C938 PolarHBondContact O-SG 3.33Å; I934-L976 HydrophobicContact CD1-CB 3.88Å; I934-V977 HydrophobicContact CD1-CG2 4.09Å; I934-L984 HydrophobicContact CB-CD1 3.97Å; I934-L984 HydrophobicContact CG1-CD1 3.74Å; I934-L984 HydrophobicContact CG2-CD1 4.21Å; I934-I991 HydrophobicContact CG2-CD1 3.77Å; I934-I991 HydrophobicContact CG2-CG1 3.93Å |
| 935 | I | 93.4 | Very high | 92.7 | Very high | 61 Ų | 61 | 34.8 Ų | 34.8 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56 | -41.3 | 176.4 | -68.3 | 163.8 | 0 | 0 | 0 | 111.3 | D931 C938 K939 | D931-I935 WeakPolarHBondContact O-CB 3.36Å; D931-I935 WeakPolarHBondContact O-CD1 3.43Å; D931-I935 WeakPolarHBondContact O-CG1 3.43Å; D931-I935 PolarHBondContact O-N 2.81Å; I935-C938 PolarHBondContact O-N 3.08Å; I935-K939 PolarHBondContact O-N 2.69Å |
| 936 | S | 92.6 | Very high | 91.9 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 20% | 0.196 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | N932 L933 I934 K939 F940 | N932-S936 WeakPolarHBondContact O-CB 3.41Å; N932-S936 PolarHBondContact O-N 3.23Å; N932-S936 VanDerWaalsContact O-N 3.14Å; N932-S936 PolarHBondContact O-OG 3.05Å; L933-S936 PolarHBondContact O-N 2.91Å; I934-S936 VanDerWaalsContact C-N 3.25Å; I934-S936 PolarHBondContact O-N 3.05Å; S936-K939 WeakPolarHBondContact O-CB 3.48Å; S936-K939 PolarHBondContact O-N 2.82Å; S936-F940 WeakPolarHBondContact O-CD2 3.27Å; S936-F940 PolarHBondContact O-N 2.87Å; S936-F940 VanDerWaalsContact O-N 3.08Å |
| 937 | L | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -35.9 | 177.3 | -69.9 | 169.4 | 0 | 0 | 0 | 113 | F914 L933 I934 K939 F940 S941 A969 T972 M973 L976 | F914-L937 HydrophobicContact CD2-CD2 3.93Å; F914-L937 HydrophobicContact CE2-CD2 4.16Å; F914-L937 HydrophobicContact CG-CD2 4.44Å; L933-L937 WeakPolarHBondContact O-CG 3.35Å; L933-L937 PolarHBondContact O-N 3.27Å; I934-L937 CarbonylContact O-C 3.55Å; I934-L937 PolarHBondContact O-N 3.04Å; L937-K939 VanDerWaalsContact C-N 3.29Å; L937-K939 PolarHBondContact O-N 3.3Å; L937-F940 PolarHBondContact O-N 2.91Å; L937-S941 WeakPolarHBondContact O-CB 3.49Å; L937-S941 PolarHBondContact O-N 3.38Å; L937-A969 HydrophobicContact CD2-CB 4.45Å; L937-T972 HydrophobicContact CD1-CG2 4.17Å; L937-M973 HydrophobicContact CB-CB 4Å; L937-M973 HydrophobicContact CB-CG 4.26Å; L937-L976 HydrophobicContact CD1-CD1 3.81Å |
| 938 | C | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.5 | -44.1 | 172.2 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | I934 I935 S941 M944 M973 N990 | I934-C938 PolarHBondContact O-N 2.67Å; I934-C938 PolarHBondContact O-SG 3.33Å; I935-C938 PolarHBondContact O-N 3.08Å; C938-S941 PolarHBondContact O-OG 3.43Å; C938-M944 HydrophobicContact CB-CE 4.35Å; C938-M944 HydrophobicContact CB-CG 4.4Å; C938-M944 HydrophobicContact CB-SD 3.81Å; C938-M973 HydrophobicContact CB-SD 4.15Å; C938-M973 PolarHBondContact SG-SD 3.29Å; C938-N990 HydrophobicContact CB-CB 4.14Å |
| 939 | K | 92 | Very high | 87.3 | Confident | 141 Ų | 141 | 33.3 Ų | 33.3 | 61% | 0.613 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.2 | -47.1 | 174 | -173.7 | -176.4 | 176.5 | -173.4 | 0 | 112.4 | I935 S936 L937 S941 T942 M944 | I935-K939 PolarHBondContact O-N 2.69Å; S936-K939 WeakPolarHBondContact O-CB 3.48Å; S936-K939 PolarHBondContact O-N 2.82Å; L937-K939 VanDerWaalsContact C-N 3.29Å; L937-K939 PolarHBondContact O-N 3.3Å; K939-S941 VanDerWaalsContact C-N 3.3Å; K939-S941 PolarHBondContact O-N 2.88Å; K939-T942 PolarHBondContact O-N 3.32Å; K939-M944 HydrophobicContact CB-CE 4.23Å |
| 940 | F | 92.2 | Very high | 85.9 | Confident | 26 Ų | 26 | 38 Ų | 38 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.7 | -22.6 | -178.6 | -68.7 | -50.7 | 0 | 0 | 0 | 114.5 | S894 F897 D898 F914 S936 L937 T942 A966 A969 | S894-F940 WeakPolarHBondContact O-CZ 3.24Å; F897-F940 HydrophobicContact CB-CZ 4.48Å; F897-F940 HydrophobicContact CD1-CB 3.98Å; F897-F940 AromaticContact CD1-CD1 3.58Å; F897-F940 HydrophobicContact CD1-CD1 3.58Å; F897-F940 HydrophobicContact CD1-CD2 4.04Å; F897-F940 HydrophobicContact CD1-CE1 4.07Å; F897-F940 HydrophobicContact CD1-CE2 4.49Å; F897-F940 AromaticContact CD1-CG 3.58Å; F897-F940 HydrophobicContact CD1-CG 3.58Å; F897-F940 HydrophobicContact CE1-CB 3.7Å; F897-F940 HydrophobicContact CE1-CD1 4.08Å; F897-F940 AromaticContact CE1-CG 3.86Å; F897-F940 HydrophobicContact CE1-CG 3.86Å; F897-F940 HydrophobicContact CG-CG 4.5Å; D898-F940 HydrophobicContact CB-CE1 4.13Å; F914-F940 HydrophobicContact CZ-CE2 4.41Å; S936-F940 WeakPolarHBondContact O-CD2 3.27Å; S936-F940 PolarHBondContact O-N 2.87Å; S936-F940 VanDerWaalsContact O-N 3.08Å; L937-F940 PolarHBondContact O-N 2.91Å; F940-T942 PolarHBondContact O-N 3.05Å; F940-A966 WeakPolarHBondContact O-CA 3.28Å; F940-A969 HydrophobicContact CB-CB 3.76Å |
| 941 | S | 92.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.2 | 173.8 | 78 | 0 | 0 | 0 | 0 | 114.1 | L937 C938 K939 L943 F960 | L937-S941 WeakPolarHBondContact O-CB 3.49Å; L937-S941 PolarHBondContact O-N 3.38Å; C938-S941 PolarHBondContact O-OG 3.43Å; K939-S941 VanDerWaalsContact C-N 3.3Å; K939-S941 PolarHBondContact O-N 2.88Å; S941-L943 PolarHBondContact O-N 3.44Å; S941-L943 WeakPolarHBondContact OG-CB 3.37Å; S941-L943 WeakPolarHBondContact OG-CG 3.43Å; S941-L943 PolarHBondContact OG-N 3Å; S941-F960 WeakPolarHBondContact O-CE2 3.44Å |
| 942 | T | 90.8 | Very high | 83.6 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | trans | 53.8 | 5.8 | -169.8 | 68.5 | 0 | 0 | 0 | 0 | 116.2 | K939 F940 M944 S945 A966 | K939-T942 PolarHBondContact O-N 3.32Å; F940-T942 PolarHBondContact O-N 3.05Å; T942-M944 PolarHBondContact O-N 3.23Å; T942-S945 PolarHBondContact O-N 3.07Å; T942-A966 HydrophobicContact CG2-CB 4.46Å | ||
| 943 | L | 90.9 | Very high | 83 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -67.3 | -18.4 | 179.8 | -57.6 | -178.6 | 0 | 0 | 0 | 113.6 | S941 S945 F956 F960 A970 M973 F974 C994 H997 L1071 | S941-L943 PolarHBondContact O-N 3.44Å; S941-L943 WeakPolarHBondContact OG-CB 3.37Å; S941-L943 WeakPolarHBondContact OG-CG 3.43Å; S941-L943 PolarHBondContact OG-N 3Å; L943-S945 PolarHBondContact O-N 3.14Å; L943-F956 HydrophobicContact CD2-CZ 3.97Å; L943-F960 HydrophobicContact CD2-CD2 4.5Å; L943-F960 HydrophobicContact CD2-CE2 4.01Å; L943-F960 HydrophobicContact CD2-CZ 4.36Å; L943-A970 HydrophobicContact CD1-CB 4.23Å; L943-M973 HydrophobicContact CD1-CE 4.17Å; L943-F974 HydrophobicContact CD1-CE2 4.13Å; L943-C994 HydrophobicContact CB-CB 3.95Å; L943-C994 HydrophobicContact CD1-CB 4.48Å; L943-H997 WeakPolarHBondContact O-CB 3.17Å; L943-L1071 HydrophobicContact CD1-CD2 4Å; L943-L1071 HydrophobicContact CD2-CD2 4.05Å |
| 944 | M | 86.6 | Confident | 82.4 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -83.7 | 10.5 | 170.2 | -51.8 | -171.1 | -48.9 | 0 | 0 | 113.1 | C938 K939 T942 N990 C994 | C938-M944 HydrophobicContact CB-CE 4.35Å; C938-M944 HydrophobicContact CB-CG 4.4Å; C938-M944 HydrophobicContact CB-SD 3.81Å; K939-M944 HydrophobicContact CB-CE 4.23Å; T942-M944 PolarHBondContact O-N 3.23Å; M944-N990 HydrophobicContact SD-CB 4.27Å; M944-N990 PolarHBondContact SD-ND2 3.47Å; M944-C994 WeakPolarHBondContact CG-SG 3.45Å |
| 945 | S | 78.7 | Confident | 81.9 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -134.3 | 21.5 | -174.5 | -55.6 | 0 | 0 | 0 | 0 | 112.9 | T942 L943 G947 | T942-S945 PolarHBondContact O-N 3.07Å; L943-S945 PolarHBondContact O-N 3.14Å; S945-G947 PolarHBondContact O-N 3.24Å |
| 946 | V | 77.5 | Confident | 81.6 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 120 | 173.7 | -165.5 | 0 | 0 | 0 | 0 | 109 | F956 H997 A1001 | V946-F956 HydrophobicContact CB-CD1 4.43Å; V946-F956 HydrophobicContact CB-CD2 4.38Å; V946-F956 HydrophobicContact CB-CG 4.27Å; V946-F956 HydrophobicContact CG1-CB 4.12Å; V946-F956 HydrophobicContact CG1-CD1 3.74Å; V946-F956 HydrophobicContact CG1-CD2 4.38Å; V946-F956 HydrophobicContact CG1-CE1 4.35Å; V946-F956 HydrophobicContact CG1-CG 3.78Å; V946-F956 HydrophobicContact CG2-CD1 4.02Å; V946-F956 HydrophobicContact CG2-CD2 3.94Å; V946-F956 HydrophobicContact CG2-CE1 3.88Å; V946-F956 HydrophobicContact CG2-CE2 3.78Å; V946-F956 HydrophobicContact CG2-CG 4.07Å; V946-F956 HydrophobicContact CG2-CZ 3.77Å; V946-H997 HydrophobicContact CB-CB 4.24Å; V946-H997 HydrophobicContact CG2-CB 4.2Å; V946-A1001 HydrophobicContact CG1-CB 3.53Å |
| 947 | G | 62.9 | Low | 81.4 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 160.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S945 S952 | S945-G947 PolarHBondContact O-N 3.24Å; G947-S952 WeakPolarHBondContact CA-OG 3.49Å; G947-S952 PolarHBondContact O-OG 2.74Å |
| 948 | M | 60.4 | Low | 81 | Confident | 96 Ų | 96 | 54 Ų | 54 | 47% | 0.473 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -92.7 | 119.7 | 176.5 | -65.5 | -55.3 | -52.7 | 0 | 0 | 111.7 | S952 H1000 Q1118 | M948-S952 VanDerWaalsContact C-OG 3.24Å; M948-S952 PolarHBondContact N-OG 2.97Å; M948-S952 PolarHBondContact O-OG 3.31Å; M948-H1000 HydrophobicContact CE-CB 3.94Å; M948-H1000 HydrophobicContact SD-CB 3.93Å; M948-Q1118 VanDerWaalsContact CE-CD 3.47Å; M948-Q1118 HydrophobicContact CE-CG 3.82Å; M948-Q1118 PolarHBondContact SD-NE2 3.03Å |
| 949 | G | 62.4 | Low | 80.6 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 109.6 | 146.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E951 S952 V953 | G949-E951 PolarHBondContact O-N 2.74Å; G949-S952 WeakPolarHBondContact O-CA 3.26Å; G949-S952 PolarHBondContact O-N 2.67Å; G949-S952 PolarHBondContact O-OG 3.11Å; G949-V953 PolarHBondContact O-N 3.45Å; G949-V953 VanDerWaalsContact O-N 3.08Å |
| 950 | N | 64.9 | Low | 80.6 | Confident | 98 Ų | 98 | 50 Ų | 50 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -48.9 | -49.6 | -165.2 | -65.3 | 10.9 | 0 | 0 | 0 | 114.4 | S952 V953 D954 | N950-S952 PolarHBondContact O-N 3.12Å; N950-V953 CarbonylContact O-C 3.6Å; N950-V953 WeakPolarHBondContact O-CA 3.41Å; N950-V953 PolarHBondContact O-N 3.06Å; N950-D954 PolarHBondContact O-N 3.35Å |
| 951 | E | 66.6 | Low | 80.4 | Confident | 179 Ų | 179 | 49.8 Ų | 49.8 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.4 | -35.9 | -179.1 | -61.7 | 179.9 | 169.5 | 0 | 0 | 112.4 | G949 H955 | G949-E951 PolarHBondContact O-N 2.74Å; E951-H955 VanDerWaalsContact O-CB 3.27Å; E951-H955 WeakPolarHBondContact O-CB 3.48Å; E951-H955 PolarHBondContact O-N 2.87Å |
| 952 | S | 77.4 | Confident | 80.2 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -77.5 | -26.5 | 176.3 | 75 | 0 | 0 | 0 | 0 | 113.2 | G947 M948 G949 N950 F956 | G947-S952 WeakPolarHBondContact CA-OG 3.49Å; G947-S952 PolarHBondContact O-OG 2.74Å; M948-S952 VanDerWaalsContact C-OG 3.24Å; M948-S952 PolarHBondContact N-OG 2.97Å; M948-S952 PolarHBondContact O-OG 3.31Å; G949-S952 WeakPolarHBondContact O-CA 3.26Å; G949-S952 PolarHBondContact O-N 2.67Å; G949-S952 PolarHBondContact O-OG 3.11Å; N950-S952 PolarHBondContact O-N 3.12Å; S952-F956 VanDerWaalsContact O-CB 3.28Å; S952-F956 WeakPolarHBondContact O-CB 3.19Å; S952-F956 PolarHBondContact O-N 2.95Å |
| 953 | V | 80.4 | Confident | 80.1 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.4 | -43.5 | 172.3 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | G949 N950 H955 F956 C957 A1001 | G949-V953 PolarHBondContact O-N 3.45Å; G949-V953 VanDerWaalsContact O-N 3.08Å; N950-V953 CarbonylContact O-C 3.6Å; N950-V953 WeakPolarHBondContact O-CA 3.41Å; N950-V953 PolarHBondContact O-N 3.06Å; V953-H955 VanDerWaalsContact C-N 3.35Å; V953-F956 PolarHBondContact O-N 3.47Å; V953-C957 WeakPolarHBondContact O-CB 3.17Å; V953-C957 PolarHBondContact O-N 3.1Å; V953-C957 PolarHBondContact O-SG 3.43Å; V953-A1001 HydrophobicContact CG1-CB 4.05Å; V953-A1001 HydrophobicContact CG2-CB 3.98Å |
| 954 | D | 82.3 | Confident | 79.9 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 173.2 | -82.4 | -54.9 | 0 | 0 | 0 | 111.3 | N950 S958 S1061 V1064 | N950-D954 PolarHBondContact O-N 3.35Å; D954-S958 VanDerWaalsContact O-CB 3.29Å; D954-S958 WeakPolarHBondContact O-CB 3.25Å; D954-S958 PolarHBondContact O-N 3.37Å; D954-S958 PolarHBondContact O-OG 2.99Å; D954-S1061 PolarHBondContact OD1-OG 3.35Å; D954-V1064 WeakPolarHBondContact OD1-CG2 3.49Å |
| 955 | H | 85.4 | Confident | 80.1 | Confident | 139 Ų | 139 | 57.6 Ų | 57.6 | 64% | 0.644 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.1 | -46.5 | 172.2 | -179.5 | -87 | 0 | 0 | 0 | 112.1 | E951 V953 S958 S959 | E951-H955 VanDerWaalsContact O-CB 3.27Å; E951-H955 WeakPolarHBondContact O-CB 3.48Å; E951-H955 PolarHBondContact O-N 2.87Å; V953-H955 VanDerWaalsContact C-N 3.35Å; H955-S958 PolarHBondContact O-N 3.38Å; H955-S959 WeakPolarHBondContact O-CB 2.99Å; H955-S959 PolarHBondContact O-N 3.16Å |
| 956 | F | 87.6 | Confident | 80.7 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -49 | 174.6 | 167.7 | -95.2 | 0 | 0 | 0 | 111.3 | L943 V946 S952 V953 S958 S959 F960 L1003 T1067 | L943-F956 HydrophobicContact CD2-CZ 3.97Å; V946-F956 HydrophobicContact CB-CD1 4.43Å; V946-F956 HydrophobicContact CB-CD2 4.38Å; V946-F956 HydrophobicContact CB-CG 4.27Å; V946-F956 HydrophobicContact CG1-CB 4.12Å; V946-F956 HydrophobicContact CG1-CD1 3.74Å; V946-F956 HydrophobicContact CG1-CD2 4.38Å; V946-F956 HydrophobicContact CG1-CE1 4.35Å; V946-F956 HydrophobicContact CG1-CG 3.78Å; V946-F956 HydrophobicContact CG2-CD1 4.02Å; V946-F956 HydrophobicContact CG2-CD2 3.94Å; V946-F956 HydrophobicContact CG2-CE1 3.88Å; V946-F956 HydrophobicContact CG2-CE2 3.78Å; V946-F956 HydrophobicContact CG2-CG 4.07Å; V946-F956 HydrophobicContact CG2-CZ 3.77Å; S952-F956 VanDerWaalsContact O-CB 3.28Å; S952-F956 WeakPolarHBondContact O-CB 3.19Å; S952-F956 PolarHBondContact O-N 2.95Å; V953-F956 PolarHBondContact O-N 3.47Å; F956-S958 VanDerWaalsContact C-N 3.31Å; F956-S958 PolarHBondContact O-N 3.35Å; F956-S959 PolarHBondContact O-N 3.36Å; F956-F960 HydrophobicContact CE1-CB 4.04Å; F956-F960 HydrophobicContact CE1-CG 4.31Å; F956-F960 HydrophobicContact CE2-CB 4.08Å; F956-F960 HydrophobicContact CE2-CD2 4.31Å; F956-F960 HydrophobicContact CE2-CG 4.47Å; F956-F960 HydrophobicContact CZ-CB 3.72Å; F956-F960 AromaticContact CZ-CD2 3.82Å; F956-F960 HydrophobicContact CZ-CD2 3.82Å; F956-F960 AromaticContact CZ-CG 3.82Å; F956-F960 HydrophobicContact CZ-CG 3.82Å; F956-F960 WeakPolarHBondContact O-CB 3.32Å; F956-F960 PolarHBondContact O-N 3.15Å; F956-L1003 HydrophobicContact CD1-CD1 4Å; F956-L1003 HydrophobicContact CE1-CD1 3.73Å; F956-T1067 HydrophobicContact CE1-CG2 4.09Å |
| 957 | C | 88.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 179.9 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | V953 A961 C1063 V1064 T1067 | V953-C957 WeakPolarHBondContact O-CB 3.17Å; V953-C957 PolarHBondContact O-N 3.1Å; V953-C957 PolarHBondContact O-SG 3.43Å; C957-A961 WeakPolarHBondContact O-CB 3.4Å; C957-A961 PolarHBondContact O-N 3.41Å; C957-C1063 HydrophobicContact CB-CB 4.48Å; C957-V1064 HydrophobicContact CB-CB 4.38Å; C957-V1064 HydrophobicContact CB-CG2 3.64Å; C957-T1067 PolarHBondContact O-OG1 3.33Å |
| 958 | S | 86.5 | Confident | 82.9 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 33% | 0.329 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | D954 H955 F956 T962 | D954-S958 VanDerWaalsContact O-CB 3.29Å; D954-S958 WeakPolarHBondContact O-CB 3.25Å; D954-S958 PolarHBondContact O-N 3.37Å; D954-S958 PolarHBondContact O-OG 2.99Å; H955-S958 PolarHBondContact O-N 3.38Å; F956-S958 VanDerWaalsContact C-N 3.31Å; F956-S958 PolarHBondContact O-N 3.35Å; S958-T962 WeakPolarHBondContact O-CG2 3.42Å; S958-T962 PolarHBondContact O-N 3.29Å; S958-T962 PolarHBondContact O-OG1 3.49Å |
| 959 | S | 87.1 | Confident | 84.5 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.8 | -44.5 | 175.2 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | H955 F956 T962 N963 | H955-S959 WeakPolarHBondContact O-CB 2.99Å; H955-S959 PolarHBondContact O-N 3.16Å; F956-S959 PolarHBondContact O-N 3.36Å; S959-T962 PolarHBondContact O-OG1 3.14Å; S959-T962 VanDerWaalsContact O-OG1 3.11Å; S959-N963 WeakPolarHBondContact O-CB 3.17Å; S959-N963 PolarHBondContact O-N 2.81Å |
| 960 | F | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.6 | -40 | -177.8 | -176.1 | -92.5 | 0 | 0 | 0 | 112.5 | S941 L943 F956 T962 N963 A966 Q967 A970 T1067 V1070 | S941-F960 WeakPolarHBondContact O-CE2 3.44Å; L943-F960 HydrophobicContact CD2-CD2 4.5Å; L943-F960 HydrophobicContact CD2-CE2 4.01Å; L943-F960 HydrophobicContact CD2-CZ 4.36Å; F956-F960 HydrophobicContact CE1-CB 4.04Å; F956-F960 HydrophobicContact CE1-CG 4.31Å; F956-F960 HydrophobicContact CE2-CB 4.08Å; F956-F960 HydrophobicContact CE2-CD2 4.31Å; F956-F960 HydrophobicContact CE2-CG 4.47Å; F956-F960 HydrophobicContact CZ-CB 3.72Å; F956-F960 AromaticContact CZ-CD2 3.82Å; F956-F960 HydrophobicContact CZ-CD2 3.82Å; F956-F960 AromaticContact CZ-CG 3.82Å; F956-F960 HydrophobicContact CZ-CG 3.82Å; F956-F960 WeakPolarHBondContact O-CB 3.32Å; F956-F960 PolarHBondContact O-N 3.15Å; F960-T962 VanDerWaalsContact C-N 3.27Å; F960-T962 PolarHBondContact O-N 2.91Å; F960-N963 PolarHBondContact O-N 3.26Å; F960-A966 HydrophobicContact CD2-CB 3.74Å; F960-A966 HydrophobicContact CE2-CB 3.87Å; F960-Q967 HydrophobicContact CD1-CG 4.26Å; F960-Q967 HydrophobicContact CE1-CG 3.88Å; F960-Q967 HydrophobicContact CZ-CB 4.48Å; F960-Q967 HydrophobicContact CZ-CG 4.02Å; F960-Q967 WeakPolarHBondContact O-CG 3.28Å; F960-Q967 PolarHBondContact O-NE2 3.41Å; F960-A970 HydrophobicContact CE2-CB 4.39Å; F960-A970 HydrophobicContact CZ-CB 4.17Å; F960-T1067 HydrophobicContact CD1-CG2 3.73Å; F960-T1067 HydrophobicContact CE1-CG2 4.23Å; F960-T1067 HydrophobicContact CG-CG2 4.5Å; F960-V1070 HydrophobicContact CE1-CB 4.13Å; F960-V1070 HydrophobicContact CE1-CG1 3.64Å; F960-V1070 HydrophobicContact CZ-CG1 3.88Å |
| 961 | A | 88.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -28 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C957 Q967 C1063 V1066 | C957-A961 WeakPolarHBondContact O-CB 3.4Å; C957-A961 PolarHBondContact O-N 3.41Å; A961-Q967 VanDerWaalsContact C-NE2 3.3Å; A961-Q967 PolarHBondContact O-NE2 2.79Å; A961-C1063 HydrophobicContact CB-CB 3.99Å; A961-V1066 HydrophobicContact CB-CB 3.98Å; A961-V1066 HydrophobicContact CB-CG1 3.82Å |
| 962 | T | 88.1 | Confident | 88.9 | Confident | 106 Ų | 106 | 39 Ų | 39 | 65% | 0.65 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -89.7 | -27.8 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 113 | S958 S959 F960 T964 | S958-T962 WeakPolarHBondContact O-CG2 3.42Å; S958-T962 PolarHBondContact O-N 3.29Å; S958-T962 PolarHBondContact O-OG1 3.49Å; S959-T962 PolarHBondContact O-OG1 3.14Å; S959-T962 VanDerWaalsContact O-OG1 3.11Å; F960-T962 VanDerWaalsContact C-N 3.27Å; F960-T962 PolarHBondContact O-N 2.91Å; T962-T964 PolarHBondContact O-N 3.25Å; T962-T964 VanDerWaalsContact O-N 3.14Å |
| 963 | N | 88.9 | Confident | 89.9 | Confident | 52 Ų | 52 | 37.2 Ų | 37.2 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | -83.7 | 86.5 | -178.5 | -174.4 | -10.6 | 0 | 0 | 0 | 112.7 | S959 F960 K965 A966 Q967 | S959-N963 WeakPolarHBondContact O-CB 3.17Å; S959-N963 PolarHBondContact O-N 2.81Å; F960-N963 PolarHBondContact O-N 3.26Å; N963-K965 PolarHBondContact O-N 2.82Å; N963-K965 VanDerWaalsContact O-N 3.16Å; N963-K965 WeakPolarHBondContact OD1-CB 3.32Å; N963-K965 PolarHBondContact OD1-N 3.44Å; N963-A966 HydrophobicContact CB-CB 4.15Å; N963-A966 PolarHBondContact O-N 3.31Å; N963-A966 PolarHBondContact OD1-N 3.11Å; N963-A966 VanDerWaalsContact OD1-N 3.12Å; N963-Q967 PolarHBondContact O-N 3.34Å | ||
| 964 | T | 87.8 | Confident | 90.7 | Very high | 62 Ų | 62 | 36.3 Ų | 36.3 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.4 | -31.2 | 177.4 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | T962 M968 | T962-T964 PolarHBondContact O-N 3.25Å; T962-T964 VanDerWaalsContact O-N 3.14Å; T964-M968 WeakPolarHBondContact O-CB 3.47Å; T964-M968 WeakPolarHBondContact O-CE 3.4Å; T964-M968 WeakPolarHBondContact O-CG 3.46Å; T964-M968 PolarHBondContact O-N 3.14Å |
| 965 | K | 90 | Very high | 91.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -48.2 | 174.1 | -64.6 | -178.7 | -179.3 | -178.7 | 0 | 111.8 | F897 D898 T900 I907 N963 Q967 M968 A969 | F897-K965 HydrophobicContact CE1-CB 3.89Å; F897-K965 HydrophobicContact CE1-CD 4.24Å; F897-K965 HydrophobicContact CE1-CG 4.47Å; F897-K965 HydrophobicContact CZ-CB 3.78Å; F897-K965 HydrophobicContact CZ-CG 4.37Å; F897-K965 WeakPolarHBondContact O-CE 3.23Å; F897-K965 PolarHBondContact O-NZ 3.39Å; D898-K965 PolarHBondContact O-NZ 3.26Å; T900-K965 WeakPolarHBondContact O-CE 3.4Å; T900-K965 PolarHBondContact O-NZ 3.21Å; I907-K965 HydrophobicContact CD1-CG 3.83Å; I907-K965 HydrophobicContact CG1-CG 4.4Å; N963-K965 PolarHBondContact O-N 2.82Å; N963-K965 VanDerWaalsContact O-N 3.16Å; N963-K965 WeakPolarHBondContact OD1-CB 3.32Å; N963-K965 PolarHBondContact OD1-N 3.44Å; K965-Q967 VanDerWaalsContact C-N 3.27Å; K965-Q967 PolarHBondContact O-N 2.98Å; K965-M968 PolarHBondContact O-N 3.42Å; K965-M968 VanDerWaalsContact O-N 3.15Å; K965-A969 WeakPolarHBondContact O-CB 3.4Å; K965-A969 PolarHBondContact O-N 2.86Å |
| 966 | A | 91.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F940 T942 F960 N963 A969 A970 | F940-A966 WeakPolarHBondContact O-CA 3.28Å; T942-A966 HydrophobicContact CG2-CB 4.46Å; F960-A966 HydrophobicContact CD2-CB 3.74Å; F960-A966 HydrophobicContact CE2-CB 3.87Å; N963-A966 HydrophobicContact CB-CB 4.15Å; N963-A966 PolarHBondContact O-N 3.31Å; N963-A966 PolarHBondContact OD1-N 3.11Å; N963-A966 VanDerWaalsContact OD1-N 3.12Å; A966-A969 PolarHBondContact O-N 3.36Å; A966-A970 WeakPolarHBondContact O-CB 3.2Å; A966-A970 PolarHBondContact O-N 3.42Å |
| 967 | Q | 93.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 172.7 | -56.6 | 175.7 | 22.2 | 0 | 0 | 112.2 | F960 A961 N963 K965 A970 K971 V1070 | F960-Q967 HydrophobicContact CD1-CG 4.26Å; F960-Q967 HydrophobicContact CE1-CG 3.88Å; F960-Q967 HydrophobicContact CZ-CB 4.48Å; F960-Q967 HydrophobicContact CZ-CG 4.02Å; F960-Q967 WeakPolarHBondContact O-CG 3.28Å; F960-Q967 PolarHBondContact O-NE2 3.41Å; A961-Q967 VanDerWaalsContact C-NE2 3.3Å; A961-Q967 PolarHBondContact O-NE2 2.79Å; N963-Q967 PolarHBondContact O-N 3.34Å; K965-Q967 VanDerWaalsContact C-N 3.27Å; K965-Q967 PolarHBondContact O-N 2.98Å; Q967-A970 PolarHBondContact O-N 3.46Å; Q967-K971 WeakPolarHBondContact O-CB 3.09Å; Q967-K971 WeakPolarHBondContact O-CG 3.44Å; Q967-K971 PolarHBondContact O-N 2.85Å; Q967-V1070 HydrophobicContact CB-CG1 3.99Å; Q967-V1070 HydrophobicContact CG-CG1 4.04Å; Q967-V1070 HydrophobicContact CG-CG2 4.32Å |
| 968 | M | 92.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 25% | 0.251 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.9 | -35.3 | 176.7 | -78.7 | -172 | -91.2 | 0 | 0 | 113.1 | I907 I911 T964 K965 T972 | I907-M968 HydrophobicContact CB-CE 4.32Å; I907-M968 HydrophobicContact CD1-CE 4.43Å; I907-M968 HydrophobicContact CG2-CE 3.61Å; I907-M968 HydrophobicContact CG2-SD 3.86Å; I911-M968 HydrophobicContact CD1-CB 4.42Å; I911-M968 HydrophobicContact CG1-CB 4.42Å; T964-M968 WeakPolarHBondContact O-CB 3.47Å; T964-M968 WeakPolarHBondContact O-CE 3.4Å; T964-M968 WeakPolarHBondContact O-CG 3.46Å; T964-M968 PolarHBondContact O-N 3.14Å; K965-M968 PolarHBondContact O-N 3.42Å; K965-M968 VanDerWaalsContact O-N 3.15Å; M968-T972 VanDerWaalsContact O-CB 3.23Å; M968-T972 WeakPolarHBondContact O-CB 3.33Å; M968-T972 PolarHBondContact O-N 2.76Å; M968-T972 PolarHBondContact O-OG1 2.9Å |
| 969 | A | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -48.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | F897 L937 F940 K965 A966 T972 M973 | F897-A969 HydrophobicContact CE1-CB 4.34Å; F897-A969 HydrophobicContact CZ-CB 4.06Å; L937-A969 HydrophobicContact CD2-CB 4.45Å; F940-A969 HydrophobicContact CB-CB 3.76Å; K965-A969 WeakPolarHBondContact O-CB 3.4Å; K965-A969 PolarHBondContact O-N 2.86Å; A966-A969 PolarHBondContact O-N 3.36Å; A969-T972 PolarHBondContact O-N 3.17Å; A969-M973 VanDerWaalsContact O-CB 3.31Å; A969-M973 WeakPolarHBondContact O-CB 3.41Å; A969-M973 PolarHBondContact O-N 3.23Å |
| 970 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.4 | -52.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L943 F960 A966 Q967 T972 M973 F974 | L943-A970 HydrophobicContact CD1-CB 4.23Å; F960-A970 HydrophobicContact CE2-CB 4.39Å; F960-A970 HydrophobicContact CZ-CB 4.17Å; A966-A970 WeakPolarHBondContact O-CB 3.2Å; A966-A970 PolarHBondContact O-N 3.42Å; Q967-A970 PolarHBondContact O-N 3.46Å; A970-T972 VanDerWaalsContact C-N 3.25Å; A970-T972 PolarHBondContact O-N 3.12Å; A970-M973 WeakPolarHBondContact O-CB 3.12Å; A970-M973 PolarHBondContact O-N 3.08Å; A970-F974 WeakPolarHBondContact O-CD2 3.26Å; A970-F974 PolarHBondContact O-N 3.4Å; A970-F974 VanDerWaalsContact O-N 3.07Å |
| 971 | K | 95.9 | Very high | 93.6 | Very high | 70 Ų | 70 | 32.7 Ų | 32.7 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.7 | -36.1 | 177.4 | -74.6 | 178.9 | 174.1 | -178 | 0 | 112.6 | Q967 H975 E1073 | Q967-K971 WeakPolarHBondContact O-CB 3.09Å; Q967-K971 WeakPolarHBondContact O-CG 3.44Å; Q967-K971 PolarHBondContact O-N 2.85Å; K971-H975 WeakPolarHBondContact O-CB 3.28Å; K971-H975 PolarHBondContact O-N 2.62Å; K971-H975 VanDerWaalsContact O-N 3.15Å; K971-E1073 WeakPolarHBondContact CE-OE2 3.13Å; K971-E1073 IonicContact NZ-OE2 3.15Å; K971-E1073 PolarHBondContact NZ-OE2 3.16Å |
| 972 | T | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -76.7 | -37.8 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | I911 R915 L937 M968 A969 A970 L976 | I911-T972 HydrophobicContact CD1-CG2 4.46Å; I911-T972 HydrophobicContact CG2-CG2 4.19Å; I911-T972 WeakPolarHBondContact CG2-OG1 3.33Å; R915-T972 HydrophobicContact CG-CG2 3.76Å; R915-T972 PolarHBondContact NE-OG1 3.37Å; R915-T972 PolarHBondContact NH2-OG1 2.71Å; L937-T972 HydrophobicContact CD1-CG2 4.17Å; M968-T972 VanDerWaalsContact O-CB 3.23Å; M968-T972 WeakPolarHBondContact O-CB 3.33Å; M968-T972 PolarHBondContact O-N 2.76Å; M968-T972 PolarHBondContact O-OG1 2.9Å; A969-T972 PolarHBondContact O-N 3.17Å; A970-T972 VanDerWaalsContact C-N 3.25Å; A970-T972 PolarHBondContact O-N 3.12Å; T972-L976 HydrophobicContact CG2-CD1 4.04Å; T972-L976 HydrophobicContact CG2-CG 4.33Å; T972-L976 WeakPolarHBondContact O-CB 3.37Å; T972-L976 VanDerWaalsContact O-CG 3.27Å; T972-L976 WeakPolarHBondContact O-CG 3.32Å; T972-L976 PolarHBondContact O-N 2.81Å |
| 973 | M | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.3 | -57.3 | 174.2 | -176.2 | -170 | 76.2 | 0 | 0 | 110.8 | L937 C938 L943 A969 A970 H975 L976 V977 I991 | L937-M973 HydrophobicContact CB-CB 4Å; L937-M973 HydrophobicContact CB-CG 4.26Å; C938-M973 HydrophobicContact CB-SD 4.15Å; C938-M973 PolarHBondContact SG-SD 3.29Å; L943-M973 HydrophobicContact CD1-CE 4.17Å; A969-M973 VanDerWaalsContact O-CB 3.31Å; A969-M973 WeakPolarHBondContact O-CB 3.41Å; A969-M973 PolarHBondContact O-N 3.23Å; A970-M973 WeakPolarHBondContact O-CB 3.12Å; A970-M973 PolarHBondContact O-N 3.08Å; M973-H975 PolarHBondContact O-N 3.1Å; M973-L976 PolarHBondContact O-N 3.05Å; M973-V977 WeakPolarHBondContact O-CG2 3.47Å; M973-V977 PolarHBondContact O-N 3.02Å; M973-I991 HydrophobicContact CE-CD1 3.98Å; M973-I991 HydrophobicContact CG-CD1 3.69Å; M973-I991 HydrophobicContact SD-CD1 3.74Å |
| 974 | F | 97.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 179.4 | -77.3 | -75.8 | 0 | 0 | 0 | 112.3 | L943 A970 L976 V977 H978 L995 C1074 P1076 I1079 | L943-F974 HydrophobicContact CD1-CE2 4.13Å; A970-F974 WeakPolarHBondContact O-CD2 3.26Å; A970-F974 PolarHBondContact O-N 3.4Å; A970-F974 VanDerWaalsContact O-N 3.07Å; F974-L976 VanDerWaalsContact C-N 3.26Å; F974-L976 PolarHBondContact O-N 3.2Å; F974-V977 PolarHBondContact O-N 3.43Å; F974-V977 VanDerWaalsContact O-N 3.11Å; F974-H978 PolarHBondContact O-CD2 3.15Å; F974-H978 VanDerWaalsContact O-CD2 3.27Å; F974-H978 PolarHBondContact O-N 2.97Å; F974-L995 HydrophobicContact CE1-CD2 4.15Å; F974-L995 HydrophobicContact CZ-CD2 4.05Å; F974-C1074 HydrophobicContact CB-CB 3.99Å; F974-C1074 WeakPolarHBondContact CB-O 2.98Å; F974-C1074 HydrophobicContact CD2-CB 3.46Å; F974-C1074 VanDerWaalsContact CD2-CB 3.46Å; F974-C1074 HydrophobicContact CE2-CB 4.08Å; F974-C1074 HydrophobicContact CG-CB 3.81Å; F974-P1076 HydrophobicContact CE1-CB 3.81Å; F974-P1076 HydrophobicContact CZ-CB 4.08Å; F974-I1079 HydrophobicContact CD1-CD1 3.9Å; F974-I1079 HydrophobicContact CE1-CD1 3.73Å |
| 975 | H | 97 | Very high | 94.8 | Very high | 77 Ų | 77 | 27.4 Ų | 27.4 | 36% | 0.356 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -58.1 | -35.9 | 176.6 | -179.3 | 68.5 | 0 | 0 | 0 | 113.3 | K971 M973 N979 | K971-H975 WeakPolarHBondContact O-CB 3.28Å; K971-H975 PolarHBondContact O-N 2.62Å; K971-H975 VanDerWaalsContact O-N 3.15Å; M973-H975 PolarHBondContact O-N 3.1Å; H975-N979 PolarHBondContact CE1-ND2 3.19Å; H975-N979 VanDerWaalsContact CE1-ND2 3.28Å; H975-N979 PolarHBondContact NE2-ND2 3.21Å; H975-N979 VanDerWaalsContact NE2-ND2 3.15Å; H975-N979 WeakPolarHBondContact O-CB 3.35Å; H975-N979 PolarHBondContact O-N 2.87Å; H975-N979 VanDerWaalsContact O-N 3.12Å; H975-N979 PolarHBondContact O-ND2 2.85Å |
| 976 | L | 96.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.7 | -38.9 | 175.1 | -72 | 179.5 | 0 | 0 | 0 | 112.4 | R915 A918 F930 I934 L937 T972 M973 F974 N979 H980 | R915-L976 HydrophobicContact CG-CD2 4.3Å; A918-L976 HydrophobicContact CB-CD1 3.82Å; A918-L976 HydrophobicContact CB-CD2 3.61Å; A918-L976 HydrophobicContact CB-CG 4.3Å; F930-L976 HydrophobicContact CE2-CB 4.08Å; F930-L976 HydrophobicContact CZ-CB 4.18Å; I934-L976 HydrophobicContact CD1-CB 3.88Å; L937-L976 HydrophobicContact CD1-CD1 3.81Å; T972-L976 HydrophobicContact CG2-CD1 4.04Å; T972-L976 HydrophobicContact CG2-CG 4.33Å; T972-L976 WeakPolarHBondContact O-CB 3.37Å; T972-L976 VanDerWaalsContact O-CG 3.27Å; T972-L976 WeakPolarHBondContact O-CG 3.32Å; T972-L976 PolarHBondContact O-N 2.81Å; M973-L976 PolarHBondContact O-N 3.05Å; F974-L976 VanDerWaalsContact C-N 3.26Å; F974-L976 PolarHBondContact O-N 3.2Å; L976-N979 PolarHBondContact O-N 2.93Å; L976-H980 WeakPolarHBondContact O-CA 3.3Å; L976-H980 WeakPolarHBondContact O-CB 3.41Å; L976-H980 PolarHBondContact O-N 3.47Å |
| 977 | V | 96.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.6 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I934 M973 F974 G981 L984 W988 I991 I1079 | I934-V977 HydrophobicContact CD1-CG2 4.09Å; M973-V977 WeakPolarHBondContact O-CG2 3.47Å; M973-V977 PolarHBondContact O-N 3.02Å; F974-V977 PolarHBondContact O-N 3.43Å; F974-V977 VanDerWaalsContact O-N 3.11Å; V977-G981 WeakPolarHBondContact O-CA 3.45Å; V977-G981 PolarHBondContact O-N 3.11Å; V977-L984 HydrophobicContact CG2-CD2 4.22Å; V977-W988 HydrophobicContact CG1-CH2 3.8Å; V977-W988 HydrophobicContact CG1-CZ3 3.75Å; V977-I991 HydrophobicContact CG2-CD1 3.76Å; V977-I991 HydrophobicContact CG2-CG1 4.02Å; V977-I1079 HydrophobicContact CG1-CD1 4.19Å; V977-I1079 HydrophobicContact CG1-CG1 4.12Å |
| 978 | H | 95.9 | Very high | 95 | Very high | 34 Ų | 34 | 31.2 Ų | 31.2 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.7 | -57.5 | -30.2 | 0 | 0 | 0 | 112.3 | F974 C1074 H1075 | F974-H978 PolarHBondContact O-CD2 3.15Å; F974-H978 VanDerWaalsContact O-CD2 3.27Å; F974-H978 PolarHBondContact O-N 2.97Å; H978-C1074 PolarHBondContact NE2-O 3.13Å; H978-H1075 PolarHBondContact CE1-O 3.41Å; H978-H1075 PolarHBondContact NE2-O 3.34Å; H978-H1075 VanDerWaalsContact NE2-O 3.17Å |
| 979 | N | 94.3 | Very high | 95 | Very high | 88 Ų | 88 | 33 Ų | 33 | 47% | 0.471 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -77.7 | -32.8 | -178.7 | -68.2 | -12.6 | 0 | 0 | 0 | 114.1 | H975 L976 | H975-N979 PolarHBondContact CE1-ND2 3.19Å; H975-N979 VanDerWaalsContact CE1-ND2 3.28Å; H975-N979 PolarHBondContact NE2-ND2 3.21Å; H975-N979 VanDerWaalsContact NE2-ND2 3.15Å; H975-N979 WeakPolarHBondContact O-CB 3.35Å; H975-N979 PolarHBondContact O-N 2.87Å; H975-N979 VanDerWaalsContact O-N 3.12Å; H975-N979 PolarHBondContact O-ND2 2.85Å; L976-N979 PolarHBondContact O-N 2.93Å |
| 980 | H | 94.7 | Very high | 95 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 20% | 0.199 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -137.3 | 11.3 | -163 | -58 | -31.5 | 0 | 0 | 0 | 114.2 | A922 F930 L976 D982 I983 | A922-H980 HydrophobicContact CB-CB 4.21Å; F930-H980 HydrophobicContact CE1-CB 4.15Å; F930-H980 WeakPolarHBondContact CE1-O 3.39Å; F930-H980 HydrophobicContact CE2-CB 3.97Å; F930-H980 HydrophobicContact CZ-CB 3.65Å; L976-H980 WeakPolarHBondContact O-CA 3.3Å; L976-H980 WeakPolarHBondContact O-CB 3.41Å; L976-H980 PolarHBondContact O-N 3.47Å; H980-D982 PolarHBondContact O-N 3.22Å; H980-I983 WeakPolarHBondContact O-CG1 3.19Å; H980-I983 PolarHBondContact O-N 3.07Å |
| 981 | G | 93.6 | Very high | 95 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -56.1 | -17.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V977 I983 L984 L1086 | V977-G981 WeakPolarHBondContact O-CA 3.45Å; V977-G981 PolarHBondContact O-N 3.11Å; G981-I983 PolarHBondContact O-N 3Å; G981-L984 WeakPolarHBondContact O-CB 3.35Å; G981-L984 PolarHBondContact O-N 3.03Å; G981-L1086 VanDerWaalsContact C-CD2 3.41Å |
| 982 | D | 93.5 | Very high | 94.9 | Very high | 70 Ų | 70 | 31.2 Ų | 31.2 | 37% | 0.374 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -64.1 | -20.7 | 174.2 | -169 | 35.3 | 0 | 0 | 0 | 114.2 | H980 R985 L1086 S1087 A1090 | H980-D982 PolarHBondContact O-N 3.22Å; D982-R985 PolarHBondContact O-NH1 3.01Å; D982-L1086 HydrophobicContact CB-CD2 4.38Å; D982-S1087 WeakPolarHBondContact OD1-CA 3.42Å; D982-S1087 WeakPolarHBondContact OD1-CB 3.48Å; D982-S1087 PolarHBondContact OD1-N 3.26Å; D982-S1087 PolarHBondContact OD1-OG 3.29Å; D982-A1090 WeakPolarHBondContact O-CB 3Å; D982-A1090 WeakPolarHBondContact OD1-CB 3.39Å |
| 983 | I | 94.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -105.3 | 9.4 | 172.1 | 66.5 | 145.7 | 0 | 0 | 0 | 113.1 | A921 A922 C927 F930 H980 G981 | A921-I983 HydrophobicContact CB-CD1 4.16Å; A922-I983 HydrophobicContact CB-CD1 4.21Å; C927-I983 VanDerWaalsContact CA-O 3.24Å; C927-I983 WeakPolarHBondContact CA-O 3.34Å; C927-I983 VanDerWaalsContact CB-O 3.23Å; C927-I983 WeakPolarHBondContact CB-O 3.14Å; C927-I983 PolarHBondContact SG-O 3.41Å; C927-I983 VanDerWaalsContact SG-O 3.38Å; F930-I983 HydrophobicContact CB-CD1 3.43Å; F930-I983 VanDerWaalsContact CB-CD1 3.43Å; F930-I983 HydrophobicContact CB-CG1 4.12Å; F930-I983 HydrophobicContact CD1-CD1 3.95Å; F930-I983 HydrophobicContact CD1-CG1 3.68Å; F930-I983 HydrophobicContact CD2-CD1 4.32Å; F930-I983 HydrophobicContact CE1-CG1 4.26Å; F930-I983 HydrophobicContact CG-CD1 3.65Å; F930-I983 HydrophobicContact CG-CG1 3.93Å; H980-I983 WeakPolarHBondContact O-CG1 3.19Å; H980-I983 PolarHBondContact O-N 3.07Å; G981-I983 PolarHBondContact O-N 3Å |
| 984 | L | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -81.3 | 139.8 | 173.6 | -159.2 | 65.2 | 0 | 0 | 0 | 110 | F930 D931 I934 V977 G981 W988 I991 | F930-L984 HydrophobicContact CD1-CB 4.13Å; F930-L984 HydrophobicContact CD1-CD1 3.64Å; F930-L984 HydrophobicContact CE1-CB 3.98Å; F930-L984 HydrophobicContact CE1-CD1 3.69Å; F930-L984 HydrophobicContact CE1-CG 4.36Å; D931-L984 VanDerWaalsContact OD1-CD1 3.27Å; D931-L984 WeakPolarHBondContact OD1-CD1 3.42Å; I934-L984 HydrophobicContact CB-CD1 3.97Å; I934-L984 HydrophobicContact CG1-CD1 3.74Å; I934-L984 HydrophobicContact CG2-CD1 4.21Å; V977-L984 HydrophobicContact CG2-CD2 4.22Å; G981-L984 WeakPolarHBondContact O-CB 3.35Å; G981-L984 PolarHBondContact O-N 3.03Å; L984-W988 HydrophobicContact CB-CD2 4.46Å; L984-W988 HydrophobicContact CB-CZ2 4.23Å; L984-W988 HydrophobicContact CD2-CD2 3.62Å; L984-W988 HydrophobicContact CD2-CE3 3.79Å; L984-W988 HydrophobicContact CD2-CG 4.02Å; L984-W988 HydrophobicContact CD2-CH2 4.3Å; L984-W988 HydrophobicContact CD2-CZ2 4.14Å; L984-W988 HydrophobicContact CD2-CZ3 4.13Å; L984-W988 HydrophobicContact CG-CD2 4.22Å; L984-W988 HydrophobicContact CG-CG 4.21Å; L984-W988 PolarHBondContact O-NE1 3.49Å; L984-I991 HydrophobicContact CD2-CG1 4.4Å | ||
| 985 | R | 95 | Very high | 94.3 | Very high | 45 Ų | 45 | 34.5 Ų | 34.5 | 17% | 0.17 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -133 | -84.4 | 179.1 | -59.4 | -71.4 | -178.7 | -85 | 4.6 | 109.9 | C927 D931 D982 G987 E1089 E1093 | C927-R985 HydrophobicContact CB-CG 3.81Å; D931-R985 PolarHBondContact OD1-N 2.91Å; D931-R985 WeakPolarHBondContact OD2-CB 3.32Å; D982-R985 PolarHBondContact O-NH1 3.01Å; R985-G987 PolarHBondContact O-N 3.28Å; R985-E1089 IonicContact CZ-OE2 2.72Å; R985-E1089 IonicContact NE-OE2 3.83Å; R985-E1089 IonicContact NH2-OE2 3.42Å; R985-E1089 PolarHBondContact NH2-OE2 3.41Å; R985-E1093 HydrophobicContact CB-CG 4.33Å; R985-E1093 VanDerWaalsContact CD-CG 3.41Å; R985-E1093 HydrophobicContact CG-CG 4.47Å |
| 986 | E | 90.3 | Very high | 94.1 | Very high | 141 Ų | 141 | 32 Ų | 32 | 66% | 0.659 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32.2 | -180 | -70.2 | -68.6 | 151.8 | 0 | 0 | 112.4 | D931 W988 K989 | D931-E986 VanDerWaalsContact CG-N 3.31Å; D931-E986 PolarHBondContact OD1-N 3.38Å; D931-E986 PolarHBondContact OD2-N 3.37Å; E986-W988 PolarHBondContact O-N 2.92Å; E986-W988 VanDerWaalsContact O-N 3.09Å; E986-K989 WeakPolarHBondContact O-CB 3.48Å; E986-K989 PolarHBondContact O-N 3.32Å; E986-K989 VanDerWaalsContact O-N 3.1Å |
| 987 | G | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D931 R985 K989 N990 I991 | D931-G987 PolarHBondContact OD1-N 2.97Å; R985-G987 PolarHBondContact O-N 3.28Å; G987-K989 PolarHBondContact O-N 3.26Å; G987-N990 PolarHBondContact O-N 2.83Å; G987-I991 PolarHBondContact O-N 3.31Å |
| 988 | W | 95.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.2 | -36.8 | 171.7 | -79.1 | 121.9 | 0 | 0 | 0 | 112.4 | V977 L984 E986 N990 I991 M992 I1079 L1086 L1094 A1097 | V977-W988 HydrophobicContact CG1-CH2 3.8Å; V977-W988 HydrophobicContact CG1-CZ3 3.75Å; L984-W988 HydrophobicContact CB-CD2 4.46Å; L984-W988 HydrophobicContact CB-CZ2 4.23Å; L984-W988 HydrophobicContact CD2-CD2 3.62Å; L984-W988 HydrophobicContact CD2-CE3 3.79Å; L984-W988 HydrophobicContact CD2-CG 4.02Å; L984-W988 HydrophobicContact CD2-CH2 4.3Å; L984-W988 HydrophobicContact CD2-CZ2 4.14Å; L984-W988 HydrophobicContact CD2-CZ3 4.13Å; L984-W988 HydrophobicContact CG-CD2 4.22Å; L984-W988 HydrophobicContact CG-CG 4.21Å; L984-W988 PolarHBondContact O-NE1 3.49Å; E986-W988 PolarHBondContact O-N 2.92Å; E986-W988 VanDerWaalsContact O-N 3.09Å; W988-N990 PolarHBondContact O-N 3.5Å; W988-I991 PolarHBondContact O-N 3.46Å; W988-M992 HydrophobicContact CE3-CE 3.76Å; W988-M992 HydrophobicContact CZ3-CE 4.2Å; W988-M992 WeakPolarHBondContact O-CG 3.3Å; W988-M992 PolarHBondContact O-N 2.94Å; W988-I1079 HydrophobicContact CH2-CG2 4.35Å; W988-I1079 HydrophobicContact CZ3-CG2 3.86Å; W988-L1086 HydrophobicContact CH2-CD1 4.39Å; W988-L1086 HydrophobicContact CZ2-CD1 3.85Å; W988-L1086 HydrophobicContact CZ2-CD2 4.18Å; W988-L1094 HydrophobicContact CD2-CB 4.11Å; W988-L1094 HydrophobicContact CD2-CD1 3.92Å; W988-L1094 HydrophobicContact CE3-CD1 3.72Å; W988-L1094 HydrophobicContact CG-CB 4.31Å; W988-L1094 HydrophobicContact CG-CD1 4.49Å; W988-L1094 HydrophobicContact CZ2-CB 4.43Å; W988-L1094 HydrophobicContact CZ3-CD1 4.05Å; W988-A1097 HydrophobicContact CB-CB 3.69Å |
| 989 | K | 93 | Very high | 93.3 | Very high | 90 Ų | 90 | 32.3 Ų | 32.3 | 39% | 0.391 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 178.9 | -176.5 | -174.5 | 173 | -171.8 | 0 | 111.4 | E986 G987 I991 M992 E993 | E986-K989 WeakPolarHBondContact O-CB 3.48Å; E986-K989 PolarHBondContact O-N 3.32Å; E986-K989 VanDerWaalsContact O-N 3.1Å; G987-K989 PolarHBondContact O-N 3.26Å; K989-I991 VanDerWaalsContact C-N 3.34Å; K989-I991 PolarHBondContact O-N 3.39Å; K989-M992 PolarHBondContact O-N 2.98Å; K989-E993 WeakPolarHBondContact O-CB 3.27Å; K989-E993 PolarHBondContact O-N 2.81Å |
| 990 | N | 93.9 | Very high | 93 | Very high | 29 Ų | 29 | 29.3 Ų | 29.3 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.7 | -31.7 | -179.2 | -67.9 | 94.8 | 0 | 0 | 0 | 112.5 | C938 M944 G987 W988 E993 C994 | C938-N990 HydrophobicContact CB-CB 4.14Å; M944-N990 HydrophobicContact SD-CB 4.27Å; M944-N990 PolarHBondContact SD-ND2 3.47Å; G987-N990 PolarHBondContact O-N 2.83Å; W988-N990 PolarHBondContact O-N 3.5Å; N990-E993 PolarHBondContact O-N 3.13Å; N990-C994 PolarHBondContact O-N 3.22Å; N990-C994 PolarHBondContact O-SG 3.19Å |
| 991 | I | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 171.9 | -63.6 | -63.3 | 0 | 0 | 0 | 111 | I934 M973 V977 L984 G987 W988 K989 E993 C994 L995 I1079 | I934-I991 HydrophobicContact CG2-CD1 3.77Å; I934-I991 HydrophobicContact CG2-CG1 3.93Å; M973-I991 HydrophobicContact CE-CD1 3.98Å; M973-I991 HydrophobicContact CG-CD1 3.69Å; M973-I991 HydrophobicContact SD-CD1 3.74Å; V977-I991 HydrophobicContact CG2-CD1 3.76Å; V977-I991 HydrophobicContact CG2-CG1 4.02Å; L984-I991 HydrophobicContact CD2-CG1 4.4Å; G987-I991 PolarHBondContact O-N 3.31Å; W988-I991 PolarHBondContact O-N 3.46Å; K989-I991 VanDerWaalsContact C-N 3.34Å; K989-I991 PolarHBondContact O-N 3.39Å; I991-E993 VanDerWaalsContact C-N 3.3Å; I991-E993 PolarHBondContact O-N 3.25Å; I991-C994 PolarHBondContact O-N 2.95Å; I991-L995 HydrophobicContact CG2-CD1 4.34Å; I991-L995 WeakPolarHBondContact O-CG 3.37Å; I991-L995 PolarHBondContact O-N 3.31Å; I991-I1079 HydrophobicContact CG2-CD1 3.71Å |
| 992 | M | 93.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -36.7 | 175.7 | -60.8 | -50.3 | 129.5 | 0 | 0 | 112.1 | W988 K989 L995 L996 I1079 L1094 L1098 L1129 | W988-M992 HydrophobicContact CE3-CE 3.76Å; W988-M992 HydrophobicContact CZ3-CE 4.2Å; W988-M992 WeakPolarHBondContact O-CG 3.3Å; W988-M992 PolarHBondContact O-N 2.94Å; K989-M992 PolarHBondContact O-N 2.98Å; M992-L995 HydrophobicContact CE-CD1 4.48Å; M992-L995 PolarHBondContact O-N 3.29Å; M992-L995 HydrophobicContact SD-CD1 4.15Å; M992-L996 WeakPolarHBondContact O-CB 3.22Å; M992-L996 PolarHBondContact O-N 3.14Å; M992-I1079 HydrophobicContact CE-CG2 4.43Å; M992-L1094 HydrophobicContact CE-CD1 3.53Å; M992-L1098 HydrophobicContact CG-CD2 4Å; M992-L1098 HydrophobicContact CG-CG 4.36Å; M992-L1098 HydrophobicContact SD-CD2 3.55Å; M992-L1098 VanDerWaalsContact SD-CD2 3.55Å; M992-L1098 HydrophobicContact SD-CG 4.16Å; M992-L1129 HydrophobicContact SD-CD2 3.77Å |
| 993 | E | 91.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 27.2 Ų | 27.2 | 33% | 0.332 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 175.1 | -173.1 | 167.7 | -153.6 | 0 | 0 | 112.2 | K989 N990 I991 L995 L996 H997 | K989-E993 WeakPolarHBondContact O-CB 3.27Å; K989-E993 PolarHBondContact O-N 2.81Å; N990-E993 PolarHBondContact O-N 3.13Å; I991-E993 VanDerWaalsContact C-N 3.3Å; I991-E993 PolarHBondContact O-N 3.25Å; E993-L995 PolarHBondContact O-N 3.1Å; E993-L996 PolarHBondContact O-N 3.3Å; E993-H997 PolarHBondContact O-N 2.92Å; E993-H997 VanDerWaalsContact O-N 3.13Å; E993-H997 PolarHBondContact O-ND1 2.99Å |
| 994 | C | 93.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 171.5 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | L943 M944 N990 I991 H997 C998 | L943-C994 HydrophobicContact CB-CB 3.95Å; L943-C994 HydrophobicContact CD1-CB 4.48Å; M944-C994 WeakPolarHBondContact CG-SG 3.45Å; N990-C994 PolarHBondContact O-N 3.22Å; N990-C994 PolarHBondContact O-SG 3.19Å; I991-C994 PolarHBondContact O-N 2.95Å; C994-H997 PolarHBondContact O-N 3.07Å; C994-C998 PolarHBondContact O-N 2.88Å; C994-C998 VanDerWaalsContact O-N 3.08Å; C994-C998 PolarHBondContact O-SG 3.08Å |
| 995 | L | 94.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 178.4 | -70.3 | 173.6 | 0 | 0 | 0 | 111.9 | F974 I991 M992 E993 C998 Y999 L1004 M1008 P1076 I1079 F1125 L1129 | F974-L995 HydrophobicContact CE1-CD2 4.15Å; F974-L995 HydrophobicContact CZ-CD2 4.05Å; I991-L995 HydrophobicContact CG2-CD1 4.34Å; I991-L995 WeakPolarHBondContact O-CG 3.37Å; I991-L995 PolarHBondContact O-N 3.31Å; M992-L995 HydrophobicContact CE-CD1 4.48Å; M992-L995 PolarHBondContact O-N 3.29Å; M992-L995 HydrophobicContact SD-CD1 4.15Å; E993-L995 PolarHBondContact O-N 3.1Å; L995-C998 PolarHBondContact O-N 3.3Å; L995-Y999 WeakPolarHBondContact O-CB 3.49Å; L995-Y999 PolarHBondContact O-N 3.42Å; L995-L1004 HydrophobicContact CD2-CD2 3.9Å; L995-M1008 HydrophobicContact CD2-CE 4.3Å; L995-P1076 HydrophobicContact CD2-CB 3.68Å; L995-I1079 HydrophobicContact CD1-CD1 4.35Å; L995-F1125 HydrophobicContact CB-CE1 4.04Å; L995-F1125 HydrophobicContact CB-CZ 4.07Å; L995-L1129 HydrophobicContact CD1-CD2 4.42Å |
| 996 | L | 91.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.9 | -179.4 | 67.5 | 0 | 0 | 0 | 112.4 | M992 E993 Y999 H1000 F1125 | M992-L996 WeakPolarHBondContact O-CB 3.22Å; M992-L996 PolarHBondContact O-N 3.14Å; E993-L996 PolarHBondContact O-N 3.3Å; L996-Y999 HydrophobicContact CD1-CD1 4.4Å; L996-Y999 WeakPolarHBondContact O-CB 3.19Å; L996-Y999 PolarHBondContact O-N 2.91Å; L996-H1000 PolarHBondContact O-CD2 3.5Å; L996-H1000 VanDerWaalsContact O-CD2 3.25Å; L996-H1000 PolarHBondContact O-N 2.94Å; L996-F1125 HydrophobicContact CD1-CD1 3.94Å |
| 997 | H | 90.8 | Very high | 91.3 | Very high | 47 Ų | 47 | 27.6 Ų | 27.6 | 22% | 0.218 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66 | -41.3 | 175.2 | -74.7 | 90.6 | 0 | 0 | 0 | 111.7 | L943 V946 E993 C994 Y999 H1000 A1001 | L943-H997 WeakPolarHBondContact O-CB 3.17Å; V946-H997 HydrophobicContact CB-CB 4.24Å; V946-H997 HydrophobicContact CG2-CB 4.2Å; E993-H997 PolarHBondContact O-N 2.92Å; E993-H997 VanDerWaalsContact O-N 3.13Å; E993-H997 PolarHBondContact O-ND1 2.99Å; C994-H997 PolarHBondContact O-N 3.07Å; H997-Y999 VanDerWaalsContact C-N 3.29Å; H997-Y999 PolarHBondContact O-N 3.22Å; H997-H1000 PolarHBondContact O-N 2.98Å; H997-A1001 WeakPolarHBondContact O-CB 3.49Å; H997-A1001 PolarHBondContact O-N 3.01Å; H997-A1001 VanDerWaalsContact O-N 3.13Å |
| 998 | C | 90.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -31.8 | 174.2 | -65 | 0 | 0 | 0 | 0 | 112.9 | C994 L995 Q1002 L1003 L1004 | C994-C998 PolarHBondContact O-N 2.88Å; C994-C998 VanDerWaalsContact O-N 3.08Å; C994-C998 PolarHBondContact O-SG 3.08Å; L995-C998 PolarHBondContact O-N 3.3Å; C998-Q1002 PolarHBondContact O-N 3.47Å; C998-L1003 PolarHBondContact O-N 3.3Å; C998-L1004 HydrophobicContact CB-CD2 3.59Å; C998-L1004 HydrophobicContact CB-CG 3.89Å; C998-L1004 PolarHBondContact O-N 3.44Å |
| 999 | Y | 91.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -50.9 | 174.8 | 164.8 | -100.1 | 0 | 0 | 0 | 111.5 | L995 L996 H997 A1001 Q1002 L1009 I1023 P1025 F1121 F1125 | L995-Y999 WeakPolarHBondContact O-CB 3.49Å; L995-Y999 PolarHBondContact O-N 3.42Å; L996-Y999 HydrophobicContact CD1-CD1 4.4Å; L996-Y999 WeakPolarHBondContact O-CB 3.19Å; L996-Y999 PolarHBondContact O-N 2.91Å; H997-Y999 VanDerWaalsContact C-N 3.29Å; H997-Y999 PolarHBondContact O-N 3.22Å; Y999-A1001 VanDerWaalsContact C-N 3.27Å; Y999-A1001 PolarHBondContact O-N 2.85Å; Y999-Q1002 PolarHBondContact O-N 3.18Å; Y999-L1009 HydrophobicContact CD2-CD2 3.63Å; Y999-L1009 HydrophobicContact CE2-CD2 3.94Å; Y999-I1023 HydrophobicContact CE2-CD1 4.12Å; Y999-I1023 HydrophobicContact CE2-CG1 4.26Å; Y999-I1023 WeakPolarHBondContact CE2-O 3.42Å; Y999-I1023 PolarHBondContact OH-O 3.41Å; Y999-P1025 HydrophobicContact CE1-CG 4.05Å; Y999-P1025 HydrophobicContact CE2-CG 4.47Å; Y999-F1121 HydrophobicContact CE1-CB 3.97Å; Y999-F1121 VanDerWaalsContact CE1-O 3.3Å; Y999-F1121 WeakPolarHBondContact CE1-O 3.37Å; Y999-F1121 WeakPolarHBondContact OH-CD1 3.17Å; Y999-F1121 PolarHBondContact OH-O 2.77Å; Y999-F1125 HydrophobicContact CD1-CB 3.76Å; Y999-F1125 HydrophobicContact CD1-CD1 4.45Å; Y999-F1125 HydrophobicContact CD1-CD2 4.31Å; Y999-F1125 AromaticContact CD1-CG 3.92Å; Y999-F1125 HydrophobicContact CD1-CG 3.92Å; Y999-F1125 HydrophobicContact CD2-CB 4.16Å; Y999-F1125 AromaticContact CD2-CD2 3.44Å; Y999-F1125 HydrophobicContact CD2-CD2 3.44Å; Y999-F1125 VanDerWaalsContact CD2-CD2 3.44Å; Y999-F1125 HydrophobicContact CD2-CE2 4.04Å; Y999-F1125 AromaticContact CD2-CG 3.91Å; Y999-F1125 HydrophobicContact CD2-CG 3.91Å; Y999-F1125 HydrophobicContact CE1-CB 3.7Å; Y999-F1125 HydrophobicContact CE1-CG 4.33Å; Y999-F1125 HydrophobicContact CE2-CB 4.13Å; Y999-F1125 AromaticContact CE2-CD2 3.96Å; Y999-F1125 HydrophobicContact CE2-CD2 3.96Å; Y999-F1125 HydrophobicContact CE2-CG 4.34Å; Y999-F1125 HydrophobicContact CG-CB 3.99Å; Y999-F1125 HydrophobicContact CG-CD1 4.27Å; Y999-F1125 AromaticContact CG-CD2 3.65Å; Y999-F1125 HydrophobicContact CG-CD2 3.65Å; Y999-F1125 HydrophobicContact CG-CE2 4.2Å; Y999-F1125 AromaticContact CG-CG 3.7Å; Y999-F1125 HydrophobicContact CG-CG 3.7Å |
| 1000 | H | 87.1 | Confident | 91.1 | Very high | 24 Ų | 24 | 29.3 Ų | 29.3 | 11% | 0.111 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.5 | -37.2 | 177.6 | -79.6 | -56.7 | 0 | 0 | 0 | 112.9 | M948 L996 H997 Q1002 Q1118 S1122 | M948-H1000 HydrophobicContact CE-CB 3.94Å; M948-H1000 HydrophobicContact SD-CB 3.93Å; L996-H1000 PolarHBondContact O-CD2 3.5Å; L996-H1000 VanDerWaalsContact O-CD2 3.25Å; L996-H1000 PolarHBondContact O-N 2.94Å; H997-H1000 PolarHBondContact O-N 2.98Å; H1000-Q1002 PolarHBondContact O-N 3.32Å; H1000-Q1118 PolarHBondContact CE1-O 2.9Å; H1000-Q1118 VanDerWaalsContact CE1-O 3.32Å; H1000-S1122 PolarHBondContact CE1-OG 3.49Å; H1000-S1122 PolarHBondContact NE2-OG 3.42Å |
| 1001 | A | 85.2 | Confident | 91 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 7% | 0.066 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V946 V953 H997 Y999 L1003 | V946-A1001 HydrophobicContact CG1-CB 3.53Å; V953-A1001 HydrophobicContact CG1-CB 4.05Å; V953-A1001 HydrophobicContact CG2-CB 3.98Å; H997-A1001 WeakPolarHBondContact O-CB 3.49Å; H997-A1001 PolarHBondContact O-N 3.01Å; H997-A1001 VanDerWaalsContact O-N 3.13Å; Y999-A1001 VanDerWaalsContact C-N 3.27Å; Y999-A1001 PolarHBondContact O-N 2.85Å; A1001-L1003 VanDerWaalsContact C-N 3.29Å; A1001-L1003 HydrophobicContact CB-CD1 3.75Å; A1001-L1003 HydrophobicContact CB-CG 3.79Å; A1001-L1003 PolarHBondContact O-N 3.19Å |
| 1002 | Q | 87.9 | Confident | 90.7 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 29% | 0.29 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 41.1 | -176.9 | -53.9 | 173.7 | 33.6 | 0 | 0 | 112.4 | C998 Y999 H1000 P1025 R1068 | C998-Q1002 PolarHBondContact O-N 3.47Å; Y999-Q1002 PolarHBondContact O-N 3.18Å; H1000-Q1002 PolarHBondContact O-N 3.32Å; Q1002-P1025 PolarHBondContact NE2-O 3.3Å; Q1002-P1025 VanDerWaalsContact NE2-O 3.1Å; Q1002-R1068 VanDerWaalsContact O-CZ 3.32Å; Q1002-R1068 PolarHBondContact O-NE 2.73Å; Q1002-R1068 PolarHBondContact O-NH2 3.36Å |
| 1003 | L | 89.6 | Confident | 90.5 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | trans | -107.2 | -14.9 | -178.3 | -62 | 177.7 | 0 | 0 | 0 | 114 | F956 C998 A1001 T1067 R1068 L1071 | F956-L1003 HydrophobicContact CD1-CD1 4Å; F956-L1003 HydrophobicContact CE1-CD1 3.73Å; C998-L1003 PolarHBondContact O-N 3.3Å; A1001-L1003 VanDerWaalsContact C-N 3.29Å; A1001-L1003 HydrophobicContact CB-CD1 3.75Å; A1001-L1003 HydrophobicContact CB-CG 3.79Å; A1001-L1003 PolarHBondContact O-N 3.19Å; L1003-T1067 HydrophobicContact CD1-CG2 3.86Å; L1003-T1067 HydrophobicContact CD2-CG2 4.15Å; L1003-R1068 HydrophobicContact CD2-CG 3.86Å; L1003-L1071 HydrophobicContact CB-CD1 3.73Å; L1003-L1071 HydrophobicContact CD1-CD1 4.27Å | ||
| 1004 | L | 91 | Very high | 90.1 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -65.7 | 151.9 | 175.4 | -69.4 | -176.4 | 0 | 0 | 0 | 112.7 | L995 C998 M1008 L1009 P1076 F1125 | L995-L1004 HydrophobicContact CD2-CD2 3.9Å; C998-L1004 HydrophobicContact CB-CD2 3.59Å; C998-L1004 HydrophobicContact CB-CG 3.89Å; C998-L1004 PolarHBondContact O-N 3.44Å; L1004-M1008 HydrophobicContact CB-CB 4.48Å; L1004-M1008 HydrophobicContact CD1-CB 4.38Å; L1004-M1008 HydrophobicContact CD1-SD 4.24Å; L1004-M1008 HydrophobicContact CD2-SD 4.14Å; L1004-L1009 HydrophobicContact CB-CD2 4.44Å; L1004-L1009 HydrophobicContact CB-CG 4.47Å; L1004-P1076 HydrophobicContact CD2-CG 4.46Å; L1004-F1125 HydrophobicContact CD1-CE2 3.56Å; L1004-F1125 HydrophobicContact CD1-CZ 3.61Å |
| 1005 | P | 91.1 | Very high | 89.7 | Confident | 23 Ų | 23 | 30.6 Ų | 30.6 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | trans | -56.7 | 147.5 | 171.9 | -25.5 | 35.9 | 0 | 0 | 0 | 112.9 | V1007 M1008 P1076 | P1005-V1007 PolarHBondContact O-N 3.46Å; P1005-V1007 VanDerWaalsContact O-N 3.1Å; P1005-M1008 PolarHBondContact O-N 2.83Å; P1005-P1076 HydrophobicContact CG-CG 3.77Å | ||
| 1006 | S | 88.5 | Confident | 89.2 | Confident | 70 Ų | 70 | 32.2 Ų | 32.2 | 49% | 0.49 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -56.9 | -28.6 | 179.5 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | M1008 L1009 Q1010 | S1006-M1008 VanDerWaalsContact C-N 3.26Å; S1006-M1008 PolarHBondContact O-N 3.07Å; S1006-L1009 CarbonylContact O-C 3.22Å; S1006-L1009 PolarHBondContact O-N 3.5Å; S1006-Q1010 WeakPolarHBondContact O-CB 3.29Å; S1006-Q1010 WeakPolarHBondContact O-CG 3.31Å; S1006-Q1010 PolarHBondContact O-N 3.27Å |
| 1007 | V | 88.9 | Confident | 88.7 | Confident | 104 Ų | 104 | 37.3 Ų | 37.3 | 63% | 0.63 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -61.4 | -31.4 | 176 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | P1005 E1077 | P1005-V1007 PolarHBondContact O-N 3.46Å; P1005-V1007 VanDerWaalsContact O-N 3.1Å; V1007-E1077 HydrophobicContact CG1-CB 4.49Å |
| 1008 | M | 92.8 | Very high | 88.4 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -86.1 | -8 | 175 | -58.2 | -173.3 | 81.8 | 0 | 0 | 113.3 | L995 L1004 P1005 S1006 P1076 E1077 I1080 | L995-M1008 HydrophobicContact CD2-CE 4.3Å; L1004-M1008 HydrophobicContact CB-CB 4.48Å; L1004-M1008 HydrophobicContact CD1-CB 4.38Å; L1004-M1008 HydrophobicContact CD1-SD 4.24Å; L1004-M1008 HydrophobicContact CD2-SD 4.14Å; P1005-M1008 PolarHBondContact O-N 2.83Å; S1006-M1008 VanDerWaalsContact C-N 3.26Å; S1006-M1008 PolarHBondContact O-N 3.07Å; M1008-P1076 HydrophobicContact CE-CB 4.48Å; M1008-P1076 HydrophobicContact SD-CB 3.72Å; M1008-P1076 HydrophobicContact SD-CG 3.79Å; M1008-E1077 HydrophobicContact CG-CB 3.98Å; M1008-E1077 HydrophobicContact SD-CB 4.45Å; M1008-I1080 HydrophobicContact CE-CD1 4.36Å |
| 1009 | L | 92.1 | Very high | 88.1 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -19.8 | -176.4 | -59.8 | 175.8 | 0 | 0 | 0 | 112.8 | Y999 L1004 S1006 S1022 I1023 A1024 | Y999-L1009 HydrophobicContact CD2-CD2 3.63Å; Y999-L1009 HydrophobicContact CE2-CD2 3.94Å; L1004-L1009 HydrophobicContact CB-CD2 4.44Å; L1004-L1009 HydrophobicContact CB-CG 4.47Å; S1006-L1009 CarbonylContact O-C 3.22Å; S1006-L1009 PolarHBondContact O-N 3.5Å; L1009-S1022 CarbonylContact O-C 3.6Å; L1009-S1022 VanDerWaalsContact O-CA 3.29Å; L1009-S1022 WeakPolarHBondContact O-CA 3.34Å; L1009-I1023 WeakPolarHBondContact O-CG1 3.35Å; L1009-I1023 PolarHBondContact O-N 3.09Å; L1009-A1024 HydrophobicContact CD1-CB 4.31Å |
| 1010 | Q | 92.1 | Very high | 88.1 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 104.6 | 176.8 | -67.9 | 178.4 | 7.7 | 0 | 0 | 109.5 | S1006 F1020 I1021 | S1006-Q1010 WeakPolarHBondContact O-CB 3.29Å; S1006-Q1010 WeakPolarHBondContact O-CG 3.31Å; S1006-Q1010 PolarHBondContact O-N 3.27Å; Q1010-F1020 HydrophobicContact CB-CD2 3.97Å; Q1010-F1020 HydrophobicContact CG-CD2 4Å; Q1010-F1020 HydrophobicContact CG-CE2 4.13Å; Q1010-I1021 WeakPolarHBondContact CA-O 3.4Å |
| 1011 | V | 92.1 | Very high | 88.3 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.085 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.8 | -177.6 | -55.9 | 0 | 0 | 0 | 0 | 111 | D1013 F1020 I1021 I1023 E1128 | V1011-D1013 PolarHBondContact O-N 3.31Å; V1011-F1020 CarbonylContact O-C 3.59Å; V1011-F1020 WeakPolarHBondContact O-CA 3.34Å; V1011-F1020 WeakPolarHBondContact O-CB 3.49Å; V1011-I1021 HydrophobicContact CG2-CG2 3.65Å; V1011-I1021 PolarHBondContact N-O 3.4Å; V1011-I1021 PolarHBondContact O-N 2.91Å; V1011-I1023 HydrophobicContact CG1-CD1 4.18Å; V1011-I1023 HydrophobicContact CG1-CG1 4.23Å; V1011-I1023 HydrophobicContact CG1-CG2 4.28Å; V1011-I1023 HydrophobicContact CG2-CG2 3.73Å; V1011-E1128 HydrophobicContact CB-CG 4.41Å; V1011-E1128 HydrophobicContact CG1-CB 4.07Å; V1011-E1128 HydrophobicContact CG1-CG 3.93Å; V1011-E1128 HydrophobicContact CG2-CG 4.33Å |
| 1012 | E | 89.2 | Confident | 88.5 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 127.5 | 177 | 175.3 | -174.7 | -152.2 | 0 | 0 | 110.5 | G1019 R1175 R1179 | E1012-G1019 WeakPolarHBondContact CA-O 3.41Å; E1012-R1175 IonicContact OE2-CZ 2.72Å; E1012-R1175 IonicContact OE2-NE 3.56Å; E1012-R1175 PolarHBondContact OE2-NE 2.85Å; E1012-R1175 IonicContact OE2-NH2 2.63Å; E1012-R1175 PolarHBondContact OE2-NH2 3.25Å; E1012-R1175 VanDerWaalsContact OE2-NH2 3.07Å; E1012-R1179 IonicContact OE1-NH2 3.76Å; E1012-R1179 PolarHBondContact OE1-NH2 3.29Å |
| 1013 | D | 88.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | trans | -137.7 | 133.1 | 177.6 | -171.5 | -100.3 | 0 | 0 | 0 | 111.5 | V1011 A1015 D1016 G1019 I1021 R1168 | V1011-D1013 PolarHBondContact O-N 3.31Å; D1013-A1015 WeakPolarHBondContact OD1-CA 3.33Å; D1013-A1015 PolarHBondContact OD1-N 3.49Å; D1013-D1016 HydrophobicContact CB-CB 4.41Å; D1013-D1016 PolarHBondContact OD1-N 2.7Å; D1013-G1019 PolarHBondContact N-O 3.22Å; D1013-G1019 CarbonylContact O-C 3.58Å; D1013-G1019 WeakPolarHBondContact O-CA 3.26Å; D1013-I1021 HydrophobicContact CB-CB 4.29Å; D1013-I1021 HydrophobicContact CB-CG2 4.05Å; D1013-R1168 IonicContact OD2-CZ 3.51Å; D1013-R1168 VanDerWaalsContact OD2-CZ 3.24Å; D1013-R1168 IonicContact OD2-NH1 2.65Å; D1013-R1168 PolarHBondContact OD2-NH1 3.05Å; D1013-R1168 IonicContact OD2-NH2 3.03Å; D1013-R1168 PolarHBondContact OD2-NH2 3.17Å | ||
| 1014 | F | 84 | Confident | 88.4 | Confident | 27 Ų | 27 | 48 Ų | 48 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -77.8 | -21.8 | -176.1 | -49.4 | -76.2 | 0 | 0 | 0 | 113.9 | V1171 M1174 R1175 V1178 F1214 D1218 | F1014-V1171 HydrophobicContact CD2-CG1 4.1Å; F1014-V1171 HydrophobicContact CE2-CG1 4.02Å; F1014-M1174 HydrophobicContact CE2-CB 3.76Å; F1014-M1174 HydrophobicContact CZ-CB 4.31Å; F1014-R1175 HydrophobicContact CE1-CG 4.29Å; F1014-R1175 HydrophobicContact CE2-CG 3.66Å; F1014-R1175 HydrophobicContact CZ-CB 4.26Å; F1014-R1175 HydrophobicContact CZ-CG 3.38Å; F1014-V1178 HydrophobicContact CE1-CG2 4.45Å; F1014-V1178 HydrophobicContact CZ-CG2 4.26Å; F1014-F1214 HydrophobicContact CB-CB 3.7Å; F1014-F1214 WeakPolarHBondContact O-CD1 3.47Å; F1014-D1218 WeakPolarHBondContact CD1-OD2 3.4Å; F1014-D1218 HydrophobicContact CE1-CB 4.4Å |
| 1015 | A | 83.7 | Confident | 87.7 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -104.1 | -23.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1013 R1210 Q1211 | D1013-A1015 WeakPolarHBondContact OD1-CA 3.33Å; D1013-A1015 PolarHBondContact OD1-N 3.49Å; A1015-R1210 HydrophobicContact CB-CG 4.26Å; A1015-Q1211 HydrophobicContact CB-CG 4.16Å |
| 1016 | D | 85.1 | Confident | 86.6 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -70.7 | 127.5 | 169.4 | -167.7 | -66.6 | 0 | 0 | 0 | 110.9 | D1013 R1018 G1019 | D1013-D1016 HydrophobicContact CB-CB 4.41Å; D1013-D1016 PolarHBondContact OD1-N 2.7Å; D1016-R1018 PolarHBondContact O-N 3.34Å; D1016-R1018 VanDerWaalsContact OD1-CB 3.26Å; D1016-R1018 WeakPolarHBondContact OD1-CB 3.41Å; D1016-R1018 WeakPolarHBondContact OD1-CG 3.12Å; D1016-R1018 IonicContact OD1-CZ 3.6Å; D1016-R1018 PolarHBondContact OD1-N 3.05Å; D1016-R1018 IonicContact OD1-NE 3.37Å; D1016-R1018 PolarHBondContact OD1-NE 3.02Å; D1016-R1018 IonicContact OD1-NH2 3.61Å; D1016-R1018 IonicContact OD2-CZ 3.5Å; D1016-R1018 IonicContact OD2-NE 3.25Å; D1016-R1018 PolarHBondContact OD2-NE 3.3Å; D1016-R1018 IonicContact OD2-NH2 3.87Å; D1016-R1018 PolarHBondContact OD2-NH2 3.33Å; D1016-G1019 PolarHBondContact O-N 3.22Å |
| 1017 | P | 79.7 | Confident | 84.9 | Confident | 133 Ų | 133 | 54 Ų | 54 | 86% | 0.864 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -10.8 | -179.9 | -26.8 | 35.8 | 0 | 0 | 0 | 116.2 | ||
| 1018 | R | 84.6 | Confident | 82.7 | Confident | 141 Ų | 141 | 53.5 Ų | 53.5 | 53% | 0.532 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.7 | 174.7 | -57.1 | 168.4 | -68 | 152.6 | 3.2 | 113.2 | D1016 F1020 | D1016-R1018 PolarHBondContact O-N 3.34Å; D1016-R1018 VanDerWaalsContact OD1-CB 3.26Å; D1016-R1018 WeakPolarHBondContact OD1-CB 3.41Å; D1016-R1018 WeakPolarHBondContact OD1-CG 3.12Å; D1016-R1018 IonicContact OD1-CZ 3.6Å; D1016-R1018 PolarHBondContact OD1-N 3.05Å; D1016-R1018 IonicContact OD1-NE 3.37Å; D1016-R1018 PolarHBondContact OD1-NE 3.02Å; D1016-R1018 IonicContact OD1-NH2 3.61Å; D1016-R1018 IonicContact OD2-CZ 3.5Å; D1016-R1018 IonicContact OD2-NE 3.25Å; D1016-R1018 PolarHBondContact OD2-NE 3.3Å; D1016-R1018 IonicContact OD2-NH2 3.87Å; D1016-R1018 PolarHBondContact OD2-NH2 3.33Å; R1018-F1020 VanDerWaalsContact C-N 3.26Å; R1018-F1020 HydrophobicContact CB-CD1 3.89Å; R1018-F1020 HydrophobicContact CB-CE1 3.74Å; R1018-F1020 HydrophobicContact CB-CZ 4.3Å; R1018-F1020 PolarHBondContact NH2-O 3.47Å; R1018-F1020 VanDerWaalsContact NH2-O 3.1Å; R1018-F1020 VanDerWaalsContact O-CD1 3.3Å; R1018-F1020 WeakPolarHBondContact O-CD1 3.49Å; R1018-F1020 PolarHBondContact O-N 3.32Å |
| 1019 | G | 86.1 | Confident | 80 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 76.9 | 4.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1012 D1013 D1016 | E1012-G1019 WeakPolarHBondContact CA-O 3.41Å; D1013-G1019 PolarHBondContact N-O 3.22Å; D1013-G1019 CarbonylContact O-C 3.58Å; D1013-G1019 WeakPolarHBondContact O-CA 3.26Å; D1016-G1019 PolarHBondContact O-N 3.22Å |
| 1020 | F | 89.9 | Confident | 77.3 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 150.4 | 179.4 | 68.7 | -89.9 | 0 | 0 | 0 | 113.6 | Q1010 V1011 R1018 | Q1010-F1020 HydrophobicContact CB-CD2 3.97Å; Q1010-F1020 HydrophobicContact CG-CD2 4Å; Q1010-F1020 HydrophobicContact CG-CE2 4.13Å; V1011-F1020 CarbonylContact O-C 3.59Å; V1011-F1020 WeakPolarHBondContact O-CA 3.34Å; V1011-F1020 WeakPolarHBondContact O-CB 3.49Å; R1018-F1020 VanDerWaalsContact C-N 3.26Å; R1018-F1020 HydrophobicContact CB-CD1 3.89Å; R1018-F1020 HydrophobicContact CB-CE1 3.74Å; R1018-F1020 HydrophobicContact CB-CZ 4.3Å; R1018-F1020 PolarHBondContact NH2-O 3.47Å; R1018-F1020 VanDerWaalsContact NH2-O 3.1Å; R1018-F1020 VanDerWaalsContact O-CD1 3.3Å; R1018-F1020 WeakPolarHBondContact O-CD1 3.49Å; R1018-F1020 PolarHBondContact O-N 3.32Å |
| 1021 | I | 90.8 | Very high | 74.7 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 17% | 0.174 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 152.8 | 174.7 | -165.9 | 158.9 | 0 | 0 | 0 | 110.6 | Q1010 V1011 D1013 F1164 | Q1010-I1021 WeakPolarHBondContact CA-O 3.4Å; V1011-I1021 HydrophobicContact CG2-CG2 3.65Å; V1011-I1021 PolarHBondContact N-O 3.4Å; V1011-I1021 PolarHBondContact O-N 2.91Å; D1013-I1021 HydrophobicContact CB-CB 4.29Å; D1013-I1021 HydrophobicContact CB-CG2 4.05Å; I1021-F1164 HydrophobicContact CD1-CE2 3.94Å; I1021-F1164 HydrophobicContact CG1-CE2 4.49Å |
| 1022 | S | 89.8 | Confident | 72 | Confident | 62 Ų | 62 | 77 Ų | 77 | 43% | 0.434 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.3 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | L1009 A1024 | L1009-S1022 CarbonylContact O-C 3.6Å; L1009-S1022 VanDerWaalsContact O-CA 3.29Å; L1009-S1022 WeakPolarHBondContact O-CA 3.34Å; S1022-A1024 WeakPolarHBondContact OG-CB 3.33Å; S1022-A1024 PolarHBondContact OG-N 3.25Å |
| 1023 | I | 92 | Very high | 69.5 | Low | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | trans | -90.8 | 5.5 | 170.7 | 60 | 160.4 | 0 | 0 | 0 | 113.2 | Y999 L1009 V1011 I1124 F1125 E1128 F1164 R1168 | Y999-I1023 HydrophobicContact CE2-CD1 4.12Å; Y999-I1023 HydrophobicContact CE2-CG1 4.26Å; Y999-I1023 WeakPolarHBondContact CE2-O 3.42Å; Y999-I1023 PolarHBondContact OH-O 3.41Å; L1009-I1023 WeakPolarHBondContact O-CG1 3.35Å; L1009-I1023 PolarHBondContact O-N 3.09Å; V1011-I1023 HydrophobicContact CG1-CD1 4.18Å; V1011-I1023 HydrophobicContact CG1-CG1 4.23Å; V1011-I1023 HydrophobicContact CG1-CG2 4.28Å; V1011-I1023 HydrophobicContact CG2-CG2 3.73Å; I1023-I1124 HydrophobicContact CB-CG2 3.87Å; I1023-I1124 HydrophobicContact CD1-CG2 4.39Å; I1023-I1124 HydrophobicContact CG2-CG2 3.77Å; I1023-F1125 HydrophobicContact CD1-CD2 4.25Å; I1023-E1128 HydrophobicContact CD1-CB 4.28Å; I1023-E1128 HydrophobicContact CD1-CG 4.42Å; I1023-E1128 HydrophobicContact CG2-CG 4.42Å; I1023-F1164 HydrophobicContact CG2-CE1 4.44Å; I1023-F1164 HydrophobicContact CG2-CZ 4.05Å; I1023-R1168 HydrophobicContact CG2-CG 4.33Å | ||
| 1024 | A | 84.9 | Confident | 66.9 | Low | 26 Ų | 26 | 86.7 Ų | 86.7 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -60.8 | 134.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1009 S1022 K1026 | L1009-A1024 HydrophobicContact CD1-CB 4.31Å; S1022-A1024 WeakPolarHBondContact OG-CB 3.33Å; S1022-A1024 PolarHBondContact OG-N 3.25Å; A1024-K1026 PolarHBondContact O-N 3.12Å |
| 1025 | P | 76.2 | Confident | 64.6 | Low | 16 Ų | 16 | 89.2 Ų | 89.2 | 10% | 0.104 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 132.6 | 175.9 | -27.3 | 35.4 | 0 | 0 | 0 | 111.7 | Y999 Q1002 A1027 F1121 | Y999-P1025 HydrophobicContact CE1-CG 4.05Å; Y999-P1025 HydrophobicContact CE2-CG 4.47Å; Q1002-P1025 PolarHBondContact NE2-O 3.3Å; Q1002-P1025 VanDerWaalsContact NE2-O 3.1Å; P1025-A1027 PolarHBondContact O-N 3.44Å; P1025-F1121 HydrophobicContact CB-CD1 4.49Å; P1025-F1121 HydrophobicContact CB-CD2 4.09Å; P1025-F1121 HydrophobicContact CB-CE2 4.14Å; P1025-F1121 HydrophobicContact CB-CG 4.29Å; P1025-F1121 HydrophobicContact CB-CZ 4.38Å; P1025-F1121 HydrophobicContact CG-CB 4.42Å; P1025-F1121 HydrophobicContact CG-CD1 4.34Å; P1025-F1121 HydrophobicContact CG-CD2 4.42Å; P1025-F1121 HydrophobicContact CG-CG 4.17Å |
| 1026 | K | 66.4 | Low | 62.2 | Low | 153 Ų | 153 | 90.6 Ų | 90.6 | 67% | 0.665 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 122.1 | 176 | -71.4 | 178.7 | -176.7 | 171.3 | 0 | 108.4 | A1024 T1028 | A1024-K1026 PolarHBondContact O-N 3.12Å; K1026-T1028 PolarHBondContact O-N 2.97Å |
| 1027 | A | 52.7 | Low | 60.5 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 51% | 0.512 | 54% | 0.539 | S | S | . | . | trans | -57.5 | 109.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | P1025 R1029 | P1025-A1027 PolarHBondContact O-N 3.44Å; A1027-R1029 PolarHBondContact O-N 3.47Å | ||
| 1028 | T | 44.7 | Very low | 58.6 | Low | 94 Ų | 94 | 98.2 Ų | 98.2 | 58% | 0.577 | 53% | 0.534 | S | S | * | . | trans | -59.2 | 108.8 | 176.8 | 48.9 | 0 | 0 | 0 | 0 | 108.5 | K1026 | K1026-T1028 PolarHBondContact O-N 2.97Š| ||
| 1029 | R | 34.9 | Very low | 56.5 | Low | 204 Ų | 204 | 94.7 Ų | 94.7 | 77% | 0.77 | 53% | 0.531 | S | S | * | . | trans | -58 | 132 | 169.4 | -70.8 | 179.1 | 175.6 | 156.8 | 2.2 | 107.1 | A1027 V1031 | A1027-R1029 PolarHBondContact O-N 3.47Å; R1029-V1031 PolarHBondContact O-N 2.81Å; R1029-V1031 VanDerWaalsContact O-N 3.13Å | ||
| 1030 | P | 35 | Very low | 54.3 | Low | 118 Ų | 118 | 97 Ų | 97 | 77% | 0.766 | 54% | 0.54 | S | S | * | . | trans | -54.9 | 127.5 | 172.5 | 24.1 | -33.1 | 0 | 0 | 0 | 107.5 | K1032 | P1030-K1032 PolarHBondContact O-N 3.06Š| ||
| 1031 | V | 38.1 | Very low | 52 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 78% | 0.776 | 55% | 0.553 | S | S | * | * | trans | -57.8 | 113.5 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 106.4 | R1029 T1033 | R1029-V1031 PolarHBondContact O-N 2.81Å; R1029-V1031 VanDerWaalsContact O-N 3.13Å; V1031-T1033 VanDerWaalsContact C-N 3.29Å; V1031-T1033 PolarHBondContact O-N 3.46Å | ||
| 1032 | K | 34.5 | Very low | 49.8 | Very low | 186 Ų | 186 | 106.7 Ų | 106.7 | 81% | 0.809 | 58% | 0.582 | S | S | * | * | trans | -64 | 101.2 | 164.9 | -79.9 | -169 | 171.5 | -169.2 | 0 | 106.2 | P1030 D1034 | P1030-K1032 PolarHBondContact O-N 3.06Å; K1032-D1034 PolarHBondContact O-N 2.82Å | ||
| 1033 | T | 37.7 | Very low | 47.9 | Very low | 107 Ų | 107 | 111.2 Ų | 111.2 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | trans | -54.5 | 130.2 | 155.9 | 47.2 | 0 | 0 | 0 | 0 | 106.8 | V1031 S1035 | V1031-T1033 VanDerWaalsContact C-N 3.29Å; V1031-T1033 PolarHBondContact O-N 3.46Å; T1033-S1035 PolarHBondContact O-N 3.41Å; T1033-S1035 PolarHBondContact O-OG 3.01Å | ||
| 1034 | D | 33.3 | Very low | 45.6 | Very low | 166 Ų | 166 | 121 Ų | 121 | 89% | 0.888 | 64% | 0.64 | S | S | * | * | trans | -73.2 | 60 | 174.2 | -79.8 | -48 | 0 | 0 | 0 | 110.2 | K1032 G1036 | K1032-D1034 PolarHBondContact O-N 2.82Å; D1034-G1036 PolarHBondContact O-N 3.48Å; D1034-G1036 VanDerWaalsContact O-N 3.15Å | ||
| 1035 | S | 35.6 | Very low | 43.6 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | trans | -64.9 | 108.7 | 164.6 | 53.8 | 0 | 0 | 0 | 0 | 107.5 | T1033 | T1033-S1035 PolarHBondContact O-N 3.41Å; T1033-S1035 PolarHBondContact O-OG 3.01Å | ||
| 1036 | G | 33.6 | Very low | 41.9 | Very low | 50 Ų | 50 | 129.2 Ų | 129.2 | 52% | 0.515 | 70% | 0.695 | S | S | . | * | trans | -58.9 | 173.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1034 F1038 S1039 | D1034-G1036 PolarHBondContact O-N 3.48Å; D1034-G1036 VanDerWaalsContact O-N 3.15Å; G1036-F1038 PolarHBondContact O-N 2.82Å; G1036-S1039 PolarHBondContact O-N 3.03Å; G1036-S1039 VanDerWaalsContact O-N 3.16Å; G1036-S1039 PolarHBondContact O-OG 3.23Å | ||
| 1037 | I | 49.1 | Very low | 40.3 | Very low | 158 Ų | 158 | 126 Ų | 126 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 4.4 | -163.3 | -56.2 | 157.3 | 0 | 0 | 0 | 114.9 | ||
| 1038 | F | 39.9 | Very low | 39.4 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -11.9 | 179.8 | -60.9 | -74.6 | 0 | 0 | 0 | 114.7 | G1036 S1040 L1041 | G1036-F1038 PolarHBondContact O-N 2.82Å; F1038-S1040 VanDerWaalsContact C-N 3.3Å; F1038-S1040 PolarHBondContact O-N 3.2Å; F1038-L1041 PolarHBondContact O-N 2.89Å |
| 1039 | S | 41.6 | Very low | 38.9 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 47% | 0.469 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -63.7 | -31 | -178.3 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | G1036 L1041 | G1036-S1039 PolarHBondContact O-N 3.03Å; G1036-S1039 VanDerWaalsContact O-N 3.16Å; G1036-S1039 PolarHBondContact O-OG 3.23Å; S1039-L1041 VanDerWaalsContact C-N 3.32Å; S1039-L1041 PolarHBondContact O-N 3.07Å |
| 1040 | S | 40.3 | Very low | 39.1 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -72 | -18.6 | -179.6 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | F1038 | F1038-S1040 VanDerWaalsContact C-N 3.3Å; F1038-S1040 PolarHBondContact O-N 3.2Å |
| 1041 | L | 41 | Very low | 39 | Very low | 107 Ų | 107 | 124 Ų | 124 | 56% | 0.56 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -80.7 | -32.5 | 179.8 | -116.8 | 84.3 | 0 | 0 | 0 | 113.1 | F1038 S1039 N1043 Y1044 | F1038-L1041 PolarHBondContact O-N 2.89Å; S1039-L1041 VanDerWaalsContact C-N 3.32Å; S1039-L1041 PolarHBondContact O-N 3.07Å; L1041-N1043 PolarHBondContact O-N 3.42Å; L1041-Y1044 PolarHBondContact O-N 2.75Å |
| 1042 | Y | 44.9 | Very low | 39 | Very low | 198 Ų | 198 | 124.2 Ų | 124.2 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -65.9 | -39 | -174.2 | -113.7 | -88.3 | 0 | 0 | 0 | 112.2 | Y1044 L1045 G1046 | Y1042-Y1044 PolarHBondContact O-N 3.32Å; Y1042-Y1044 VanDerWaalsContact O-N 3.11Å; Y1042-L1045 PolarHBondContact O-N 2.94Å; Y1042-G1046 PolarHBondContact O-N 3.26Å |
| 1043 | N | 50 | Low | 39.2 | Very low | 158 Ų | 158 | 120.8 Ų | 120.8 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -3.4 | 174.1 | -71.6 | 0.3 | 0 | 0 | 0 | 114 | L1041 | L1041-N1043 PolarHBondContact O-N 3.42Š|
| 1044 | Y | 44 | Very low | 39 | Very low | 207 Ų | 207 | 126.9 Ų | 126.9 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -3.5 | 178.3 | -140.7 | -88.9 | 0 | 0 | 0 | 113.6 | L1041 Y1042 | L1041-Y1044 PolarHBondContact O-N 2.75Å; Y1042-Y1044 PolarHBondContact O-N 3.32Å; Y1042-Y1044 VanDerWaalsContact O-N 3.11Å |
| 1045 | L | 42.5 | Very low | 38.9 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | -12.2 | -176 | -83.2 | 158.8 | 0 | 0 | 0 | 114.3 | Y1042 G1047 | Y1042-L1045 PolarHBondContact O-N 2.94Å; L1045-G1047 PolarHBondContact O-N 3.09Å |
| 1046 | G | 40.6 | Very low | 38.7 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -84.3 | 84.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1042 | Y1042-G1046 PolarHBondContact O-N 3.26Š| ||
| 1047 | G | 31.6 | Very low | 38.7 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 88% | 0.876 | 75% | 0.747 | S | S | * | * | trans | -75.8 | 126.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L1045 | L1045-G1047 PolarHBondContact O-N 3.09Š| ||
| 1048 | G | 33.9 | Very low | 38.2 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | -168.6 | 45.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1049 | S | 35.5 | Very low | 38.4 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 73.9 | 137.3 | 164 | -57.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1050 | S | 38.1 | Very low | 39.1 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 59.1 | 106 | 155.6 | 44.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1051 | N | 33.8 | Very low | 40.4 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | 16.9 | 146.7 | 127.2 | -69.6 | 47.3 | 0 | 0 | 0 | 120.4 | |||||
| 1052 | D | 36.7 | Very low | 42.4 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | cis | -152.2 | 176.9 | 18.5 | -135.6 | -49.1 | 0 | 0 | 0 | 114.9 | ||||
| 1053 | S | 40.4 | Very low | 44.2 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | 75.9 | 152.5 | 174.9 | 80.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1054 | R | 33.2 | Very low | 45.9 | Very low | 234 Ų | 234 | 111.3 Ų | 111.3 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -143.4 | 134.3 | -166.5 | -126 | -179.8 | 176.6 | 174.4 | -2.5 | 109.9 | ||||
| 1055 | S | 30.9 | Very low | 48 | Very low | 111 Ų | 111 | 104.8 Ų | 104.8 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | trans | 48.7 | 115.9 | 149.9 | 62.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1056 | S | 31.8 | Very low | 50.3 | Low | 108 Ų | 108 | 101 Ų | 101 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | -155 | 173.2 | 128.1 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1057 | A | 32 | Very low | 52.7 | Low | 90 Ų | 90 | 97.7 Ų | 97.7 | 74% | 0.744 | 62% | 0.62 | S | S | * | * | trans | -74.3 | 145.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | E1059 | A1057-E1059 PolarHBondContact O-N 3.49Š| ||
| 1058 | S | 40.1 | Very low | 55.5 | Low | 123 Ų | 123 | 98.2 Ų | 98.2 | 86% | 0.86 | 60% | 0.596 | S | S | * | * | trans | -56.9 | 101.8 | -169.8 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1059 | E | 42.9 | Very low | 58.3 | Low | 165 Ų | 165 | 98.2 Ų | 98.2 | 77% | 0.771 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 145.7 | 150 | -65.2 | -174.1 | 133.6 | 0 | 0 | 108.2 | A1057 | A1057-E1059 PolarHBondContact O-N 3.49Š|
| 1060 | P | 56.3 | Low | 61 | Low | 86 Ų | 86 | 93.1 Ų | 93.1 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 138.1 | 175.3 | 28.4 | -34.1 | 0 | 0 | 0 | 109.4 | ||
| 1061 | S | 68.5 | Low | 63.6 | Low | 45 Ų | 45 | 88.1 Ų | 88.1 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 145 | 176.9 | 62.1 | 0 | 0 | 0 | 0 | 111 | D954 C1063 V1064 C1065 | D954-S1061 PolarHBondContact OD1-OG 3.35Å; S1061-C1063 PolarHBondContact O-N 2.96Å; S1061-C1063 VanDerWaalsContact O-N 3.08Å; S1061-V1064 WeakPolarHBondContact O-CB 3.38Å; S1061-V1064 PolarHBondContact O-N 3.29Å; S1061-V1064 WeakPolarHBondContact OG-CG2 3.47Å; S1061-C1065 PolarHBondContact O-N 2.66Å |
| 1062 | D | 81.8 | Confident | 66.5 | Low | 140 Ų | 140 | 83.4 Ų | 83.4 | 75% | 0.749 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -53 | -35.7 | -179.3 | -69.2 | -49.1 | 0 | 0 | 0 | 111.7 | V1064 C1065 V1066 | D1062-V1064 VanDerWaalsContact C-N 3.34Å; D1062-V1064 PolarHBondContact O-N 3.15Å; D1062-C1065 WeakPolarHBondContact O-CA 3.28Å; D1062-C1065 WeakPolarHBondContact O-CB 3.29Å; D1062-C1065 PolarHBondContact O-N 3.05Å; D1062-C1065 VanDerWaalsContact O-N 3.1Å; D1062-V1066 WeakPolarHBondContact O-CG2 3.49Å; D1062-V1066 PolarHBondContact O-N 3.19Å |
| 1063 | C | 84.7 | Confident | 69.2 | Low | 36 Ų | 36 | 82.1 Ų | 82.1 | 24% | 0.243 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -56.6 | -40.7 | 174 | -59 | 0 | 0 | 0 | 0 | 113.8 | C957 A961 S1061 T1067 | C957-C1063 HydrophobicContact CB-CB 4.48Å; A961-C1063 HydrophobicContact CB-CB 3.99Å; S1061-C1063 PolarHBondContact O-N 2.96Å; S1061-C1063 VanDerWaalsContact O-N 3.08Å; C1063-T1067 VanDerWaalsContact O-CB 3.28Å; C1063-T1067 WeakPolarHBondContact O-CB 3.48Å; C1063-T1067 PolarHBondContact O-N 2.89Å; C1063-T1067 PolarHBondContact O-OG1 3Å |
| 1064 | V | 85.3 | Confident | 71.8 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 6% | 0.061 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | D954 C957 S1061 D1062 R1068 | D954-V1064 WeakPolarHBondContact OD1-CG2 3.49Å; C957-V1064 HydrophobicContact CB-CB 4.38Å; C957-V1064 HydrophobicContact CB-CG2 3.64Å; S1061-V1064 WeakPolarHBondContact O-CB 3.38Å; S1061-V1064 PolarHBondContact O-N 3.29Å; S1061-V1064 WeakPolarHBondContact OG-CG2 3.47Å; D1062-V1064 VanDerWaalsContact C-N 3.34Å; D1062-V1064 PolarHBondContact O-N 3.15Å; V1064-R1068 WeakPolarHBondContact O-CG 3.49Å; V1064-R1068 PolarHBondContact O-N 2.71Å |
| 1065 | C | 87.9 | Confident | 74.8 | Confident | 71 Ų | 71 | 70 Ų | 70 | 48% | 0.48 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 175 | -165.1 | 0 | 0 | 0 | 0 | 111.7 | S1061 D1062 R1068 T1069 | S1061-C1065 PolarHBondContact O-N 2.66Å; D1062-C1065 WeakPolarHBondContact O-CA 3.28Å; D1062-C1065 WeakPolarHBondContact O-CB 3.29Å; D1062-C1065 PolarHBondContact O-N 3.05Å; D1062-C1065 VanDerWaalsContact O-N 3.1Å; C1065-R1068 PolarHBondContact O-N 2.69Å; C1065-T1069 WeakPolarHBondContact O-CB 3.34Å; C1065-T1069 PolarHBondContact O-N 2.92Å; C1065-T1069 PolarHBondContact O-OG1 3.2Å |
| 1066 | V | 89.4 | Confident | 77.9 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 38% | 0.382 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A961 D1062 R1068 T1069 V1070 | A961-V1066 HydrophobicContact CB-CB 3.98Å; A961-V1066 HydrophobicContact CB-CG1 3.82Å; D1062-V1066 WeakPolarHBondContact O-CG2 3.49Å; D1062-V1066 PolarHBondContact O-N 3.19Å; V1066-R1068 PolarHBondContact O-N 3.28Å; V1066-T1069 WeakPolarHBondContact O-CB 3.47Å; V1066-T1069 PolarHBondContact O-N 3.34Å; V1066-T1069 VanDerWaalsContact O-N 3.17Å; V1066-V1070 HydrophobicContact CG1-CG2 4.44Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.37Å; V1066-V1070 PolarHBondContact O-N 3.04Å |
| 1067 | T | 91.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 179.9 | -62.6 | 0 | 0 | 0 | 0 | 112 | F956 C957 F960 L1003 C1063 T1069 V1070 L1071 | F956-T1067 HydrophobicContact CE1-CG2 4.09Å; C957-T1067 PolarHBondContact O-OG1 3.33Å; F960-T1067 HydrophobicContact CD1-CG2 3.73Å; F960-T1067 HydrophobicContact CE1-CG2 4.23Å; F960-T1067 HydrophobicContact CG-CG2 4.5Å; L1003-T1067 HydrophobicContact CD1-CG2 3.86Å; L1003-T1067 HydrophobicContact CD2-CG2 4.15Å; C1063-T1067 VanDerWaalsContact O-CB 3.28Å; C1063-T1067 WeakPolarHBondContact O-CB 3.48Å; C1063-T1067 PolarHBondContact O-N 2.89Å; C1063-T1067 PolarHBondContact O-OG1 3Å; T1067-T1069 PolarHBondContact O-N 2.89Å; T1067-V1070 PolarHBondContact O-N 3.16Å; T1067-L1071 HydrophobicContact CG2-CD1 4.1Å; T1067-L1071 WeakPolarHBondContact O-CG 3.31Å; T1067-L1071 PolarHBondContact O-N 2.95Å; T1067-L1071 VanDerWaalsContact O-N 3.08Å |
| 1068 | R | 90.6 | Very high | 83.8 | Confident | 97 Ų | 97 | 60.9 Ų | 60.9 | 37% | 0.366 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 174.6 | -75.2 | -175.2 | 178.9 | 125.3 | 3.9 | 112.7 | Q1002 L1003 V1064 C1065 V1066 L1071 A1072 | Q1002-R1068 VanDerWaalsContact O-CZ 3.32Å; Q1002-R1068 PolarHBondContact O-NE 2.73Å; Q1002-R1068 PolarHBondContact O-NH2 3.36Å; L1003-R1068 HydrophobicContact CD2-CG 3.86Å; V1064-R1068 WeakPolarHBondContact O-CG 3.49Å; V1064-R1068 PolarHBondContact O-N 2.71Å; C1065-R1068 PolarHBondContact O-N 2.69Å; V1066-R1068 PolarHBondContact O-N 3.28Å; R1068-L1071 PolarHBondContact O-N 3.48Å; R1068-A1072 WeakPolarHBondContact O-CB 3.48Å; R1068-A1072 PolarHBondContact O-N 3.28Å |
| 1069 | T | 92.3 | Very high | 86.5 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | C1065 V1066 T1067 L1071 A1072 E1073 | C1065-T1069 WeakPolarHBondContact O-CB 3.34Å; C1065-T1069 PolarHBondContact O-N 2.92Å; C1065-T1069 PolarHBondContact O-OG1 3.2Å; V1066-T1069 WeakPolarHBondContact O-CB 3.47Å; V1066-T1069 PolarHBondContact O-N 3.34Å; V1066-T1069 VanDerWaalsContact O-N 3.17Å; T1067-T1069 PolarHBondContact O-N 2.89Å; T1069-L1071 VanDerWaalsContact C-N 3.32Å; T1069-L1071 PolarHBondContact O-N 3.22Å; T1069-A1072 PolarHBondContact O-N 3.33Å; T1069-E1073 WeakPolarHBondContact O-CG 3.44Å; T1069-E1073 PolarHBondContact O-N 3.05Å |
| 1070 | V | 93.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 176.5 | 166.3 | 0 | 0 | 0 | 0 | 112.3 | F960 Q967 V1066 T1067 C1074 | F960-V1070 HydrophobicContact CE1-CB 4.13Å; F960-V1070 HydrophobicContact CE1-CG1 3.64Å; F960-V1070 HydrophobicContact CZ-CG1 3.88Å; Q967-V1070 HydrophobicContact CB-CG1 3.99Å; Q967-V1070 HydrophobicContact CG-CG1 4.04Å; Q967-V1070 HydrophobicContact CG-CG2 4.32Å; V1066-V1070 HydrophobicContact CG1-CG2 4.44Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.37Å; V1066-V1070 PolarHBondContact O-N 3.04Å; T1067-V1070 PolarHBondContact O-N 3.16Å; V1070-C1074 PolarHBondContact O-N 3.28Å; V1070-C1074 PolarHBondContact O-SG 2.95Å |
| 1071 | L | 93.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.6 | -33.4 | 177.9 | -73.6 | 168.4 | 0 | 0 | 0 | 112.8 | L943 L1003 T1067 R1068 T1069 C1074 P1076 | L943-L1071 HydrophobicContact CD1-CD2 4Å; L943-L1071 HydrophobicContact CD2-CD2 4.05Å; L1003-L1071 HydrophobicContact CB-CD1 3.73Å; L1003-L1071 HydrophobicContact CD1-CD1 4.27Å; T1067-L1071 HydrophobicContact CG2-CD1 4.1Å; T1067-L1071 WeakPolarHBondContact O-CG 3.31Å; T1067-L1071 PolarHBondContact O-N 2.95Å; T1067-L1071 VanDerWaalsContact O-N 3.08Å; R1068-L1071 PolarHBondContact O-N 3.48Å; T1069-L1071 VanDerWaalsContact C-N 3.32Å; T1069-L1071 PolarHBondContact O-N 3.22Å; L1071-C1074 WeakPolarHBondContact O-CB 3.36Å; L1071-C1074 PolarHBondContact O-N 3.37Å; L1071-P1076 VanDerWaalsContact O-CD 3.26Å; L1071-P1076 WeakPolarHBondContact O-CD 3.22Å |
| 1072 | A | 92.8 | Very high | 91.9 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 36% | 0.355 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1068 T1069 C1074 H1075 | R1068-A1072 WeakPolarHBondContact O-CB 3.48Å; R1068-A1072 PolarHBondContact O-N 3.28Å; T1069-A1072 PolarHBondContact O-N 3.33Å; A1072-C1074 PolarHBondContact O-N 2.78Å; A1072-C1074 VanDerWaalsContact O-N 3.12Å; A1072-H1075 PolarHBondContact O-N 2.73Å |
| 1073 | E | 94.4 | Very high | 92.6 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.7 | 172.8 | -70.5 | 176.2 | 176 | 0 | 0 | 114.2 | K971 T1069 | K971-E1073 WeakPolarHBondContact CE-OE2 3.13Å; K971-E1073 IonicContact NZ-OE2 3.15Å; K971-E1073 PolarHBondContact NZ-OE2 3.16Å; T1069-E1073 WeakPolarHBondContact O-CG 3.44Å; T1069-E1073 PolarHBondContact O-N 3.05Å |
| 1074 | C | 95.2 | Very high | 93 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.9 | 172.9 | -64.6 | 0 | 0 | 0 | 0 | 113.5 | F974 H978 V1070 L1071 A1072 | F974-C1074 HydrophobicContact CB-CB 3.99Å; F974-C1074 WeakPolarHBondContact CB-O 2.98Å; F974-C1074 HydrophobicContact CD2-CB 3.46Å; F974-C1074 VanDerWaalsContact CD2-CB 3.46Å; F974-C1074 HydrophobicContact CE2-CB 4.08Å; F974-C1074 HydrophobicContact CG-CB 3.81Å; H978-C1074 PolarHBondContact NE2-O 3.13Å; V1070-C1074 PolarHBondContact O-N 3.28Å; V1070-C1074 PolarHBondContact O-SG 2.95Å; L1071-C1074 WeakPolarHBondContact O-CB 3.36Å; L1071-C1074 PolarHBondContact O-N 3.37Å; A1072-C1074 PolarHBondContact O-N 2.78Å; A1072-C1074 VanDerWaalsContact O-N 3.12Å |
| 1075 | H | 95.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | trans | 48.8 | 54.1 | -176.3 | -62.6 | -63.2 | 0 | 0 | 0 | 114.7 | H978 A1072 E1077 Q1078 | H978-H1075 PolarHBondContact CE1-O 3.41Å; H978-H1075 PolarHBondContact NE2-O 3.34Å; H978-H1075 VanDerWaalsContact NE2-O 3.17Å; A1072-H1075 PolarHBondContact O-N 2.73Å; H1075-E1077 WeakPolarHBondContact CA-OE1 3.44Å; H1075-E1077 IonicContact CG-OE1 2.94Å; H1075-E1077 IonicContact ND1-OE1 2.74Å; H1075-E1077 PolarHBondContact ND1-OE1 3.22Å; H1075-E1077 PolarHBondContact O-N 2.67Å; H1075-Q1078 HydrophobicContact CB-CB 4.01Å; H1075-Q1078 VanDerWaalsContact O-CB 3.27Å; H1075-Q1078 WeakPolarHBondContact O-CB 3.37Å; H1075-Q1078 PolarHBondContact O-N 2.95Å | ||
| 1076 | P | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.4 | 178.4 | 27.3 | -36.6 | 0 | 0 | 0 | 113 | F974 L995 L1004 P1005 M1008 L1071 Q1078 I1079 | F974-P1076 HydrophobicContact CE1-CB 3.81Å; F974-P1076 HydrophobicContact CZ-CB 4.08Å; L995-P1076 HydrophobicContact CD2-CB 3.68Å; L1004-P1076 HydrophobicContact CD2-CG 4.46Å; P1005-P1076 HydrophobicContact CG-CG 3.77Å; M1008-P1076 HydrophobicContact CE-CB 4.48Å; M1008-P1076 HydrophobicContact SD-CB 3.72Å; M1008-P1076 HydrophobicContact SD-CG 3.79Å; L1071-P1076 VanDerWaalsContact O-CD 3.26Å; L1071-P1076 WeakPolarHBondContact O-CD 3.22Å; P1076-Q1078 VanDerWaalsContact C-N 3.26Å; P1076-Q1078 PolarHBondContact O-N 3.14Å; P1076-I1079 PolarHBondContact O-N 2.76Å |
| 1077 | E | 93.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 24% | 0.238 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.2 | 172.8 | 68.2 | -74.1 | 172.8 | 0 | 0 | 113.5 | V1007 M1008 H1075 I1079 I1080 | V1007-E1077 HydrophobicContact CG1-CB 4.49Å; M1008-E1077 HydrophobicContact CG-CB 3.98Å; M1008-E1077 HydrophobicContact SD-CB 4.45Å; H1075-E1077 WeakPolarHBondContact CA-OE1 3.44Å; H1075-E1077 IonicContact CG-OE1 2.94Å; H1075-E1077 IonicContact ND1-OE1 2.74Å; H1075-E1077 PolarHBondContact ND1-OE1 3.22Å; H1075-E1077 PolarHBondContact O-N 2.67Å; E1077-I1079 PolarHBondContact O-N 2.79Å; E1077-I1080 WeakPolarHBondContact O-CB 3.23Å; E1077-I1080 PolarHBondContact O-N 2.91Å; E1077-I1080 VanDerWaalsContact O-N 3.07Å |
| 1078 | Q | 95.3 | Very high | 93.8 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.5 | -23.1 | -179.1 | -179.4 | 176 | -13.2 | 0 | 0 | 112.4 | H1075 P1076 I1080 S1081 D1082 | H1075-Q1078 HydrophobicContact CB-CB 4.01Å; H1075-Q1078 VanDerWaalsContact O-CB 3.27Å; H1075-Q1078 WeakPolarHBondContact O-CB 3.37Å; H1075-Q1078 PolarHBondContact O-N 2.95Å; P1076-Q1078 VanDerWaalsContact C-N 3.26Å; P1076-Q1078 PolarHBondContact O-N 3.14Å; Q1078-I1080 PolarHBondContact O-N 3.19Å; Q1078-S1081 WeakPolarHBondContact CA-OG 3.31Å; Q1078-S1081 PolarHBondContact O-N 3.5Å; Q1078-S1081 PolarHBondContact O-OG 3.19Å; Q1078-D1082 HydrophobicContact CG-CB 4.47Å; Q1078-D1082 VanDerWaalsContact CG-CG 3.47Å; Q1078-D1082 WeakPolarHBondContact CG-OD1 3.4Å; Q1078-D1082 VanDerWaalsContact CG-OD2 3.3Å; Q1078-D1082 WeakPolarHBondContact CG-OD2 3.4Å; Q1078-D1082 PolarHBondContact NE2-OD2 3.09Å; Q1078-D1082 VanDerWaalsContact O-CB 3.32Å; Q1078-D1082 WeakPolarHBondContact O-CB 3.1Å; Q1078-D1082 PolarHBondContact O-N 3.28Å |
| 1079 | I | 95.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.1 | -35 | 172.7 | -64 | 175.1 | 0 | 0 | 0 | 110.9 | F974 V977 W988 I991 M992 L995 P1076 E1077 S1083 | F974-I1079 HydrophobicContact CD1-CD1 3.9Å; F974-I1079 HydrophobicContact CE1-CD1 3.73Å; V977-I1079 HydrophobicContact CG1-CD1 4.19Å; V977-I1079 HydrophobicContact CG1-CG1 4.12Å; W988-I1079 HydrophobicContact CH2-CG2 4.35Å; W988-I1079 HydrophobicContact CZ3-CG2 3.86Å; I991-I1079 HydrophobicContact CG2-CD1 3.71Å; M992-I1079 HydrophobicContact CE-CG2 4.43Å; L995-I1079 HydrophobicContact CD1-CD1 4.35Å; P1076-I1079 PolarHBondContact O-N 2.76Å; E1077-I1079 PolarHBondContact O-N 2.79Å; I1079-S1083 PolarHBondContact O-N 2.85Å |
| 1080 | I | 94.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.5 | -49.5 | 177.9 | -52 | 178.4 | 0 | 0 | 0 | 109.5 | M1008 E1077 Q1078 D1082 S1083 L1129 A1132 V1133 E1136 | M1008-I1080 HydrophobicContact CE-CD1 4.36Å; E1077-I1080 WeakPolarHBondContact O-CB 3.23Å; E1077-I1080 PolarHBondContact O-N 2.91Å; E1077-I1080 VanDerWaalsContact O-N 3.07Å; Q1078-I1080 PolarHBondContact O-N 3.19Å; I1080-D1082 VanDerWaalsContact C-N 3.33Å; I1080-D1082 PolarHBondContact O-N 2.93Å; I1080-S1083 WeakPolarHBondContact O-CB 3.28Å; I1080-S1083 PolarHBondContact O-N 3.42Å; I1080-S1083 PolarHBondContact O-OG 3.39Å; I1080-L1129 HydrophobicContact CD1-CD1 3.63Å; I1080-L1129 HydrophobicContact CG1-CD1 3.71Å; I1080-A1132 HydrophobicContact CD1-CB 4.24Å; I1080-A1132 HydrophobicContact CG2-CB 3.76Å; I1080-V1133 HydrophobicContact CG2-CG2 4.4Å; I1080-E1136 HydrophobicContact CG2-CG 4.34Å |
| 1081 | S | 94 | Very high | 93.9 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -35.1 | -179.1 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | Q1078 S1083 K1084 | Q1078-S1081 WeakPolarHBondContact CA-OG 3.31Å; Q1078-S1081 PolarHBondContact O-N 3.5Å; Q1078-S1081 PolarHBondContact O-OG 3.19Å; S1081-S1083 VanDerWaalsContact C-N 3.34Å; S1081-K1084 WeakPolarHBondContact O-CE 3.13Å; S1081-K1084 WeakPolarHBondContact O-CG 3.41Å; S1081-K1084 PolarHBondContact O-NZ 3.23Å |
| 1082 | D | 93.7 | Very high | 93.9 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -88.3 | -11.1 | -172.1 | -68.2 | 15.3 | 0 | 0 | 0 | 111.8 | Q1078 I1080 K1084 Y1085 L1086 | Q1078-D1082 HydrophobicContact CG-CB 4.47Å; Q1078-D1082 VanDerWaalsContact CG-CG 3.47Å; Q1078-D1082 WeakPolarHBondContact CG-OD1 3.4Å; Q1078-D1082 VanDerWaalsContact CG-OD2 3.3Å; Q1078-D1082 WeakPolarHBondContact CG-OD2 3.4Å; Q1078-D1082 PolarHBondContact NE2-OD2 3.09Å; Q1078-D1082 VanDerWaalsContact O-CB 3.32Å; Q1078-D1082 WeakPolarHBondContact O-CB 3.1Å; Q1078-D1082 PolarHBondContact O-N 3.28Å; I1080-D1082 VanDerWaalsContact C-N 3.33Å; I1080-D1082 PolarHBondContact O-N 2.93Å; D1082-K1084 PolarHBondContact O-N 3.1Å; D1082-K1084 VanDerWaalsContact O-N 3.07Å; D1082-Y1085 HydrophobicContact CB-CD2 4.36Å; D1082-Y1085 PolarHBondContact O-N 2.85Å; D1082-L1086 PolarHBondContact O-N 3.06Å |
| 1083 | S | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -29.1 | 171.9 | 71.6 | 0 | 0 | 0 | 0 | 113.5 | I1079 I1080 S1081 Y1085 L1086 N1137 R1140 | I1079-S1083 PolarHBondContact O-N 2.85Å; I1080-S1083 WeakPolarHBondContact O-CB 3.28Å; I1080-S1083 PolarHBondContact O-N 3.42Å; I1080-S1083 PolarHBondContact O-OG 3.39Å; S1081-S1083 VanDerWaalsContact C-N 3.34Å; S1083-Y1085 VanDerWaalsContact C-N 3.31Å; S1083-Y1085 PolarHBondContact O-N 3.03Å; S1083-L1086 WeakPolarHBondContact O-CB 3.3Å; S1083-L1086 PolarHBondContact O-N 3.34Å; S1083-N1137 PolarHBondContact O-OD1 3.43Å; S1083-N1137 VanDerWaalsContact O-OD1 3.1Å; S1083-N1137 PolarHBondContact OG-ND2 3.26Å; S1083-R1140 PolarHBondContact O-NH2 2.7Å |
| 1084 | K | 93.2 | Very high | 94.1 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 30% | 0.3 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -19.9 | 175.1 | 73.9 | -173.2 | 161.2 | -95.7 | 0 | 114.6 | S1081 D1082 E1136 R1140 | S1081-K1084 WeakPolarHBondContact O-CE 3.13Å; S1081-K1084 WeakPolarHBondContact O-CG 3.41Å; S1081-K1084 PolarHBondContact O-NZ 3.23Å; D1082-K1084 PolarHBondContact O-N 3.1Å; D1082-K1084 VanDerWaalsContact O-N 3.07Å; K1084-E1136 IonicContact NZ-OE2 3.71Å; K1084-E1136 PolarHBondContact NZ-OE2 2.91Å; K1084-R1140 PolarHBondContact O-NH1 2.9Å; K1084-R1140 PolarHBondContact O-NH2 2.74Å |
| 1085 | Y | 93.8 | Very high | 94.1 | Very high | 172 Ų | 172 | 40.9 Ų | 40.9 | 68% | 0.675 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -16.4 | 177.7 | -56.8 | -54.1 | 0 | 0 | 0 | 113.2 | D1082 S1083 | D1082-Y1085 HydrophobicContact CB-CD2 4.36Å; D1082-Y1085 PolarHBondContact O-N 2.85Å; S1083-Y1085 VanDerWaalsContact C-N 3.31Å; S1083-Y1085 PolarHBondContact O-N 3.03Å |
| 1086 | L | 94 | Very high | 94 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -55.8 | 148.4 | 169.5 | -60.6 | 179.2 | 0 | 0 | 0 | 111.1 | G981 D982 W988 D1082 S1083 A1090 F1091 L1094 R1140 | G981-L1086 VanDerWaalsContact C-CD2 3.41Å; D982-L1086 HydrophobicContact CB-CD2 4.38Å; W988-L1086 HydrophobicContact CH2-CD1 4.39Å; W988-L1086 HydrophobicContact CZ2-CD1 3.85Å; W988-L1086 HydrophobicContact CZ2-CD2 4.18Å; D1082-L1086 PolarHBondContact O-N 3.06Å; S1083-L1086 WeakPolarHBondContact O-CB 3.3Å; S1083-L1086 PolarHBondContact O-N 3.34Å; L1086-A1090 HydrophobicContact CB-CB 3.92Å; L1086-A1090 HydrophobicContact CD1-CB 4.47Å; L1086-A1090 HydrophobicContact CD2-CB 4.17Å; L1086-A1090 HydrophobicContact CG-CB 4.42Å; L1086-F1091 HydrophobicContact CB-CB 4.44Å; L1086-L1094 HydrophobicContact CD1-CB 4.46Å; L1086-L1094 HydrophobicContact CD1-CD2 3.72Å; L1086-R1140 PolarHBondContact O-NH1 3.06Å; L1086-R1140 PolarHBondContact O-NH2 2.81Å |
| 1087 | S | 92.4 | Very high | 94 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | trans | -64.6 | 167.1 | 167.6 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | D982 E1089 A1090 F1091 | D982-S1087 WeakPolarHBondContact OD1-CA 3.42Å; D982-S1087 WeakPolarHBondContact OD1-CB 3.48Å; D982-S1087 PolarHBondContact OD1-N 3.26Å; D982-S1087 PolarHBondContact OD1-OG 3.29Å; S1087-E1089 PolarHBondContact O-N 2.79Å; S1087-A1090 PolarHBondContact O-N 3.49Å; S1087-A1090 PolarHBondContact OG-N 2.91Å; S1087-F1091 VanDerWaalsContact O-CB 3.32Å; S1087-F1091 WeakPolarHBondContact O-CB 3.37Å; S1087-F1091 PolarHBondContact O-N 3.42Å | ||
| 1088 | G | 90 | Very high | 94 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 52% | 0.515 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.8 | -30.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1092 | G1088-S1092 VanDerWaalsContact O-CB 3.26Å; G1088-S1092 WeakPolarHBondContact O-CB 3.26Å; G1088-S1092 PolarHBondContact O-N 3.21Å; G1088-S1092 VanDerWaalsContact O-N 3.1Å |
| 1089 | E | 91 | Very high | 93.9 | Very high | 128 Ų | 128 | 37.4 Ų | 37.4 | 60% | 0.598 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -73.2 | -48.8 | 174 | -65.5 | -176 | -177.2 | 0 | 0 | 112.2 | R985 S1087 F1091 S1092 E1093 | R985-E1089 IonicContact CZ-OE2 2.72Å; R985-E1089 IonicContact NE-OE2 3.83Å; R985-E1089 IonicContact NH2-OE2 3.42Å; R985-E1089 PolarHBondContact NH2-OE2 3.41Å; S1087-E1089 PolarHBondContact O-N 2.79Å; E1089-F1091 VanDerWaalsContact C-N 3.33Å; E1089-F1091 PolarHBondContact O-N 3.03Å; E1089-S1092 WeakPolarHBondContact O-CA 3.42Å; E1089-S1092 VanDerWaalsContact O-CB 3.26Å; E1089-S1092 WeakPolarHBondContact O-CB 3.4Å; E1089-S1092 PolarHBondContact O-N 3.01Å; E1089-S1092 VanDerWaalsContact O-N 3.14Å; E1089-E1093 PolarHBondContact O-N 2.9Å |
| 1090 | A | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D982 L1086 S1087 E1093 L1094 | D982-A1090 WeakPolarHBondContact O-CB 3Å; D982-A1090 WeakPolarHBondContact OD1-CB 3.39Å; L1086-A1090 HydrophobicContact CB-CB 3.92Å; L1086-A1090 HydrophobicContact CD1-CB 4.47Å; L1086-A1090 HydrophobicContact CD2-CB 4.17Å; L1086-A1090 HydrophobicContact CG-CB 4.42Å; S1087-A1090 PolarHBondContact O-N 3.49Å; S1087-A1090 PolarHBondContact OG-N 2.91Å; A1090-E1093 PolarHBondContact O-N 3Å; A1090-L1094 WeakPolarHBondContact O-CB 3.23Å; A1090-L1094 PolarHBondContact O-N 3.08Å |
| 1091 | F | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 170.6 | 172.5 | -112.3 | 0 | 0 | 0 | 112.2 | L1086 S1087 E1089 L1095 V1133 N1137 R1140 I1141 F1144 | L1086-F1091 HydrophobicContact CB-CB 4.44Å; S1087-F1091 VanDerWaalsContact O-CB 3.32Å; S1087-F1091 WeakPolarHBondContact O-CB 3.37Å; S1087-F1091 PolarHBondContact O-N 3.42Å; E1089-F1091 VanDerWaalsContact C-N 3.33Å; E1089-F1091 PolarHBondContact O-N 3.03Å; F1091-L1095 HydrophobicContact CE1-CD2 4.49Å; F1091-L1095 HydrophobicContact CZ-CD2 4.09Å; F1091-L1095 WeakPolarHBondContact O-CB 3.17Å; F1091-L1095 PolarHBondContact O-N 3.16Å; F1091-V1133 HydrophobicContact CD2-CG1 4.49Å; F1091-V1133 HydrophobicContact CE2-CG1 3.98Å; F1091-N1137 HydrophobicContact CD2-CB 4Å; F1091-N1137 VanDerWaalsContact CD2-CG 3.44Å; F1091-N1137 WeakPolarHBondContact CD2-OD1 3.32Å; F1091-N1137 HydrophobicContact CE1-CB 4.22Å; F1091-N1137 HydrophobicContact CE2-CB 3.34Å; F1091-N1137 WeakPolarHBondContact CE2-ND2 3.4Å; F1091-N1137 HydrophobicContact CZ-CB 3.47Å; F1091-N1137 VanDerWaalsContact CZ-CB 3.47Å; F1091-R1140 HydrophobicContact CD1-CB 4.33Å; F1091-R1140 HydrophobicContact CE1-CB 4.17Å; F1091-I1141 HydrophobicContact CZ-CD1 3.91Å; F1091-F1144 HydrophobicContact CD1-CE2 4.07Å; F1091-F1144 AromaticContact CE1-CD2 3.87Å; F1091-F1144 HydrophobicContact CE1-CD2 3.87Å; F1091-F1144 AromaticContact CE1-CE2 3.77Å; F1091-F1144 HydrophobicContact CE1-CE2 3.77Å |
| 1092 | S | 94.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 12% | 0.119 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.4 | -49.6 | 173.3 | 162 | 0 | 0 | 0 | 0 | 111.4 | G1088 E1089 L1095 K1096 | G1088-S1092 VanDerWaalsContact O-CB 3.26Å; G1088-S1092 WeakPolarHBondContact O-CB 3.26Å; G1088-S1092 PolarHBondContact O-N 3.21Å; G1088-S1092 VanDerWaalsContact O-N 3.1Å; E1089-S1092 WeakPolarHBondContact O-CA 3.42Å; E1089-S1092 VanDerWaalsContact O-CB 3.26Å; E1089-S1092 WeakPolarHBondContact O-CB 3.4Å; E1089-S1092 PolarHBondContact O-N 3.01Å; E1089-S1092 VanDerWaalsContact O-N 3.14Å; S1092-L1095 PolarHBondContact O-N 2.82Å; S1092-K1096 WeakPolarHBondContact O-CB 3.38Å; S1092-K1096 WeakPolarHBondContact O-CD 3.16Å; S1092-K1096 VanDerWaalsContact O-CG 3.25Å; S1092-K1096 WeakPolarHBondContact O-CG 3.31Å; S1092-K1096 PolarHBondContact O-N 2.77Å; S1092-K1096 WeakPolarHBondContact OG-CE 3.45Å; S1092-K1096 PolarHBondContact OG-NZ 3.48Å |
| 1093 | E | 94.7 | Very high | 93.1 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.6 | -36.6 | -177.2 | -56.3 | -30.2 | 101.6 | 0 | 0 | 112.8 | R985 E1089 A1090 L1095 K1096 A1097 | R985-E1093 HydrophobicContact CB-CG 4.33Å; R985-E1093 VanDerWaalsContact CD-CG 3.41Å; R985-E1093 HydrophobicContact CG-CG 4.47Å; E1089-E1093 PolarHBondContact O-N 2.9Å; A1090-E1093 PolarHBondContact O-N 3Å; E1093-L1095 VanDerWaalsContact C-N 3.34Å; E1093-L1095 PolarHBondContact O-N 3.17Å; E1093-K1096 PolarHBondContact O-N 3.04Å; E1093-K1096 WeakPolarHBondContact OE1-CE 3.21Å; E1093-K1096 IonicContact OE1-NZ 3.68Å; E1093-K1096 PolarHBondContact OE1-NZ 3.11Å; E1093-K1096 WeakPolarHBondContact OE2-CD 3.12Å; E1093-K1096 WeakPolarHBondContact OE2-CE 3.46Å; E1093-K1096 IonicContact OE2-NZ 3.85Å; E1093-K1096 PolarHBondContact OE2-NZ 3.25Å; E1093-A1097 VanDerWaalsContact O-CB 3.31Å; E1093-A1097 WeakPolarHBondContact O-CB 3.49Å; E1093-A1097 PolarHBondContact O-N 2.97Å |
| 1094 | L | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -48 | 170 | 169.8 | 59.1 | 0 | 0 | 0 | 111.5 | W988 M992 L1086 A1090 A1097 L1098 V1133 | W988-L1094 HydrophobicContact CD2-CB 4.11Å; W988-L1094 HydrophobicContact CD2-CD1 3.92Å; W988-L1094 HydrophobicContact CE3-CD1 3.72Å; W988-L1094 HydrophobicContact CG-CB 4.31Å; W988-L1094 HydrophobicContact CG-CD1 4.49Å; W988-L1094 HydrophobicContact CZ2-CB 4.43Å; W988-L1094 HydrophobicContact CZ3-CD1 4.05Å; M992-L1094 HydrophobicContact CE-CD1 3.53Å; L1086-L1094 HydrophobicContact CD1-CB 4.46Å; L1086-L1094 HydrophobicContact CD1-CD2 3.72Å; A1090-L1094 WeakPolarHBondContact O-CB 3.23Å; A1090-L1094 PolarHBondContact O-N 3.08Å; L1094-A1097 PolarHBondContact O-N 2.92Å; L1094-L1098 HydrophobicContact CD1-CD1 4.07Å; L1094-L1098 HydrophobicContact CD1-CG 4.43Å; L1094-L1098 HydrophobicContact CG-CD1 4.3Å; L1094-L1098 WeakPolarHBondContact O-CG 3.36Å; L1094-L1098 PolarHBondContact O-N 3.23Å; L1094-V1133 HydrophobicContact CD2-CG1 3.96Å; L1094-V1133 HydrophobicContact CG-CG1 4.37Å |
| 1095 | L | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.1 | -37.6 | -177.6 | -162.4 | 68.9 | 0 | 0 | 0 | 112.2 | F1091 S1092 E1093 L1099 T1130 V1133 I1141 F1144 L1148 | F1091-L1095 HydrophobicContact CE1-CD2 4.49Å; F1091-L1095 HydrophobicContact CZ-CD2 4.09Å; F1091-L1095 WeakPolarHBondContact O-CB 3.17Å; F1091-L1095 PolarHBondContact O-N 3.16Å; S1092-L1095 PolarHBondContact O-N 2.82Å; E1093-L1095 VanDerWaalsContact C-N 3.34Å; E1093-L1095 PolarHBondContact O-N 3.17Å; L1095-L1099 HydrophobicContact CG-CD1 4.43Å; L1095-L1099 WeakPolarHBondContact O-CB 3.41Å; L1095-L1099 WeakPolarHBondContact O-CG 3.34Å; L1095-L1099 PolarHBondContact O-N 3.2Å; L1095-L1099 VanDerWaalsContact O-N 3.08Å; L1095-T1130 HydrophobicContact CD1-CG2 4.16Å; L1095-V1133 HydrophobicContact CD1-CG1 4.45Å; L1095-I1141 HydrophobicContact CD2-CD1 4.4Å; L1095-F1144 HydrophobicContact CD2-CB 3.56Å; L1095-F1144 HydrophobicContact CD2-CD1 3.8Å; L1095-F1144 HydrophobicContact CD2-CD2 4.06Å; L1095-F1144 HydrophobicContact CD2-CG 3.52Å; L1095-L1148 HydrophobicContact CD1-CD2 4.13Å; L1095-L1148 HydrophobicContact CD2-CD1 4.22Å; L1095-L1148 HydrophobicContact CD2-CD2 4.35Å; L1095-L1148 HydrophobicContact CD2-CG 4.5Å; L1095-L1148 HydrophobicContact CG-CD2 4.41Å |
| 1096 | K | 93.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 31.8 Ų | 31.8 | 43% | 0.426 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 169.7 | -74.7 | 161.9 | 171.7 | 176.5 | 0 | 111.5 | S1092 E1093 L1099 T1100 | S1092-K1096 WeakPolarHBondContact O-CB 3.38Å; S1092-K1096 WeakPolarHBondContact O-CD 3.16Å; S1092-K1096 VanDerWaalsContact O-CG 3.25Å; S1092-K1096 WeakPolarHBondContact O-CG 3.31Å; S1092-K1096 PolarHBondContact O-N 2.77Å; S1092-K1096 WeakPolarHBondContact OG-CE 3.45Å; S1092-K1096 PolarHBondContact OG-NZ 3.48Å; E1093-K1096 PolarHBondContact O-N 3.04Å; E1093-K1096 WeakPolarHBondContact OE1-CE 3.21Å; E1093-K1096 IonicContact OE1-NZ 3.68Å; E1093-K1096 PolarHBondContact OE1-NZ 3.11Å; E1093-K1096 WeakPolarHBondContact OE2-CD 3.12Å; E1093-K1096 WeakPolarHBondContact OE2-CE 3.46Å; E1093-K1096 IonicContact OE2-NZ 3.85Å; E1093-K1096 PolarHBondContact OE2-NZ 3.25Å; K1096-L1099 PolarHBondContact O-N 3.36Å; K1096-T1100 VanDerWaalsContact O-CB 3.25Å; K1096-T1100 WeakPolarHBondContact O-CB 3.05Å; K1096-T1100 PolarHBondContact O-N 3.07Å; K1096-T1100 PolarHBondContact O-OG1 2.9Å |
| 1097 | A | 94.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | W988 E1093 L1094 T1100 S1101 | W988-A1097 HydrophobicContact CB-CB 3.69Å; E1093-A1097 VanDerWaalsContact O-CB 3.31Å; E1093-A1097 WeakPolarHBondContact O-CB 3.49Å; E1093-A1097 PolarHBondContact O-N 2.97Å; L1094-A1097 PolarHBondContact O-N 2.92Å; A1097-T1100 PolarHBondContact O-N 2.81Å; A1097-S1101 PolarHBondContact O-N 3.41Å; A1097-S1101 PolarHBondContact O-OG 3.06Å |
| 1098 | L | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -51.2 | 174.5 | -76.3 | 164.8 | 0 | 0 | 0 | 112.7 | M992 L1094 T1100 S1101 S1102 L1129 V1133 | M992-L1098 HydrophobicContact CG-CD2 4Å; M992-L1098 HydrophobicContact CG-CG 4.36Å; M992-L1098 HydrophobicContact SD-CD2 3.55Å; M992-L1098 VanDerWaalsContact SD-CD2 3.55Å; M992-L1098 HydrophobicContact SD-CG 4.16Å; L1094-L1098 HydrophobicContact CD1-CD1 4.07Å; L1094-L1098 HydrophobicContact CD1-CG 4.43Å; L1094-L1098 HydrophobicContact CG-CD1 4.3Å; L1094-L1098 WeakPolarHBondContact O-CG 3.36Å; L1094-L1098 PolarHBondContact O-N 3.23Å; L1098-T1100 VanDerWaalsContact C-N 3.32Å; L1098-T1100 PolarHBondContact O-N 3.41Å; L1098-S1101 PolarHBondContact O-N 2.83Å; L1098-S1102 PolarHBondContact O-N 2.81Å; L1098-S1102 VanDerWaalsContact O-N 3.08Å; L1098-L1129 HydrophobicContact CD2-CB 4.25Å; L1098-L1129 HydrophobicContact CD2-CD2 3.66Å; L1098-L1129 HydrophobicContact CD2-CG 3.74Å; L1098-V1133 HydrophobicContact CD1-CB 4.27Å; L1098-V1133 HydrophobicContact CD1-CG1 4.37Å; L1098-V1133 HydrophobicContact CD1-CG2 4.16Å |
| 1099 | L | 93.4 | Very high | 89.5 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | 177.6 | -71.2 | 170.4 | 0 | 0 | 0 | 112.4 | L1095 K1096 A1103 T1130 T1147 L1148 H1151 | L1095-L1099 HydrophobicContact CG-CD1 4.43Å; L1095-L1099 WeakPolarHBondContact O-CB 3.41Å; L1095-L1099 WeakPolarHBondContact O-CG 3.34Å; L1095-L1099 PolarHBondContact O-N 3.2Å; L1095-L1099 VanDerWaalsContact O-N 3.08Å; K1096-L1099 PolarHBondContact O-N 3.36Å; L1099-A1103 VanDerWaalsContact O-CB 3.3Å; L1099-A1103 WeakPolarHBondContact O-CB 3.48Å; L1099-A1103 PolarHBondContact O-N 3.47Å; L1099-T1130 HydrophobicContact CD2-CG2 4.43Å; L1099-T1147 HydrophobicContact CD1-CG2 3.96Å; L1099-L1148 HydrophobicContact CD1-CD2 4.31Å; L1099-L1148 HydrophobicContact CD2-CD2 4.27Å; L1099-H1151 HydrophobicContact CD2-CB 3.91Å; L1099-H1151 VanDerWaalsContact CD2-CD2 3.44Å; L1099-H1151 WeakPolarHBondContact CD2-CD2 3.28Å |
| 1100 | T | 91 | Very high | 88.6 | Confident | 74 Ų | 74 | 36.5 Ų | 36.5 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.8 | -41.5 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | K1096 A1097 L1098 S1102 A1103 L1104 | K1096-T1100 VanDerWaalsContact O-CB 3.25Å; K1096-T1100 WeakPolarHBondContact O-CB 3.05Å; K1096-T1100 PolarHBondContact O-N 3.07Å; K1096-T1100 PolarHBondContact O-OG1 2.9Å; A1097-T1100 PolarHBondContact O-N 2.81Å; L1098-T1100 VanDerWaalsContact C-N 3.32Å; L1098-T1100 PolarHBondContact O-N 3.41Å; T1100-S1102 VanDerWaalsContact C-N 3.34Å; T1100-S1102 PolarHBondContact O-N 3.07Å; T1100-A1103 PolarHBondContact O-N 3.15Å; T1100-L1104 HydrophobicContact CG2-CD1 4.26Å; T1100-L1104 WeakPolarHBondContact O-CB 3.46Å; T1100-L1104 WeakPolarHBondContact O-CG 3.48Å; T1100-L1104 PolarHBondContact O-N 2.88Å |
| 1101 | S | 89.7 | Confident | 87.4 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | A1097 L1098 V1105 H1126 | A1097-S1101 PolarHBondContact O-N 3.41Å; A1097-S1101 PolarHBondContact O-OG 3.06Å; L1098-S1101 PolarHBondContact O-N 2.83Å; S1101-V1105 PolarHBondContact O-N 2.89Å; S1101-H1126 WeakPolarHBondContact CB-NE2 3.43Å |
| 1102 | S | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 171.1 | -167 | 0 | 0 | 0 | 0 | 111.7 | L1098 T1100 L1104 V1105 L1106 H1151 | L1098-S1102 PolarHBondContact O-N 2.81Å; L1098-S1102 VanDerWaalsContact O-N 3.08Å; T1100-S1102 VanDerWaalsContact C-N 3.34Å; T1100-S1102 PolarHBondContact O-N 3.07Å; S1102-L1104 VanDerWaalsContact C-N 3.33Å; S1102-L1104 PolarHBondContact O-N 2.95Å; S1102-V1105 PolarHBondContact O-N 3.41Å; S1102-L1106 WeakPolarHBondContact O-CG 3.29Å; S1102-L1106 PolarHBondContact O-N 3.46Å; S1102-H1151 WeakPolarHBondContact CB-NE2 3.4Å; S1102-H1151 PolarHBondContact OG-CE1 3Å; S1102-H1151 PolarHBondContact OG-NE2 3.22Å |
| 1103 | A | 88.3 | Confident | 84.4 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -32.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1099 T1100 L1106 T1107 | L1099-A1103 VanDerWaalsContact O-CB 3.3Å; L1099-A1103 WeakPolarHBondContact O-CB 3.48Å; L1099-A1103 PolarHBondContact O-N 3.47Å; T1100-A1103 PolarHBondContact O-N 3.15Å; A1103-L1106 WeakPolarHBondContact O-CB 3.26Å; A1103-L1106 PolarHBondContact O-N 3.38Å; A1103-T1107 PolarHBondContact O-N 2.93Å; A1103-T1107 PolarHBondContact O-OG1 3.41Å |
| 1104 | L | 86.4 | Confident | 83.2 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.6 | -83.1 | 162.1 | 0 | 0 | 0 | 111.6 | T1100 S1102 L1106 T1107 D1108 | T1100-L1104 HydrophobicContact CG2-CD1 4.26Å; T1100-L1104 WeakPolarHBondContact O-CB 3.46Å; T1100-L1104 WeakPolarHBondContact O-CG 3.48Å; T1100-L1104 PolarHBondContact O-N 2.88Å; S1102-L1104 VanDerWaalsContact C-N 3.33Å; S1102-L1104 PolarHBondContact O-N 2.95Å; L1104-L1106 VanDerWaalsContact C-N 3.27Å; L1104-L1106 PolarHBondContact O-N 3.19Å; L1104-T1107 WeakPolarHBondContact CA-OG1 3.38Å; L1104-T1107 PolarHBondContact O-N 2.97Å; L1104-T1107 VanDerWaalsContact O-N 3.08Å; L1104-T1107 PolarHBondContact O-OG1 3.25Å; L1104-D1108 PolarHBondContact O-N 3.5Å; L1104-D1108 VanDerWaalsContact O-N 3.13Å |
| 1105 | V | 85.2 | Confident | 82.5 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 174 | -180 | 0 | 0 | 0 | 0 | 110.4 | S1101 S1102 T1107 D1108 V1109 A1119 L1123 | S1101-V1105 PolarHBondContact O-N 2.89Å; S1102-V1105 PolarHBondContact O-N 3.41Å; V1105-T1107 VanDerWaalsContact C-N 3.33Å; V1105-T1107 PolarHBondContact O-N 3.14Å; V1105-D1108 PolarHBondContact O-N 3.33Å; V1105-V1109 HydrophobicContact CG1-CG2 4.2Å; V1105-V1109 WeakPolarHBondContact O-CB 3.42Å; V1105-V1109 WeakPolarHBondContact O-CG2 3.45Å; V1105-V1109 PolarHBondContact O-N 2.94Å; V1105-A1119 HydrophobicContact CG1-CB 3.85Å; V1105-L1123 HydrophobicContact CB-CD2 3.96Å; V1105-L1123 HydrophobicContact CB-CG 4.41Å; V1105-L1123 HydrophobicContact CG1-CD1 4.36Å; V1105-L1123 HydrophobicContact CG1-CD2 3.99Å; V1105-L1123 HydrophobicContact CG1-CG 3.89Å |
| 1106 | L | 84.7 | Confident | 81.9 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -32.1 | 175.6 | -63.6 | 179.5 | 0 | 0 | 0 | 113.8 | S1102 A1103 L1104 R1110 L1123 L1155 F1159 | S1102-L1106 WeakPolarHBondContact O-CG 3.29Å; S1102-L1106 PolarHBondContact O-N 3.46Å; A1103-L1106 WeakPolarHBondContact O-CB 3.26Å; A1103-L1106 PolarHBondContact O-N 3.38Å; L1104-L1106 VanDerWaalsContact C-N 3.27Å; L1104-L1106 PolarHBondContact O-N 3.19Å; L1106-R1110 VanDerWaalsContact O-CG 3.3Å; L1106-R1110 WeakPolarHBondContact O-CG 3.46Å; L1106-R1110 PolarHBondContact O-N 2.86Å; L1106-L1123 HydrophobicContact CD2-CD1 3.73Å; L1106-L1123 HydrophobicContact CD2-CD2 3.85Å; L1106-L1123 HydrophobicContact CD2-CG 4.47Å; L1106-L1123 HydrophobicContact CG-CD2 3.98Å; L1106-L1155 HydrophobicContact CD1-CD2 4.1Å; L1106-L1155 HydrophobicContact CD2-CD2 3.97Å; L1106-L1155 HydrophobicContact CG-CD2 4.49Å; L1106-F1159 HydrophobicContact CD2-CD2 4.46Å; L1106-F1159 HydrophobicContact CD2-CE2 3.35Å; L1106-F1159 HydrophobicContact CD2-CZ 3.54Å |
| 1107 | T | 80.2 | Confident | 81.3 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.7 | -32.6 | 176.5 | 44.4 | 0 | 0 | 0 | 0 | 113.5 | A1103 L1104 V1105 Q1111 | A1103-T1107 PolarHBondContact O-N 2.93Å; A1103-T1107 PolarHBondContact O-OG1 3.41Å; L1104-T1107 WeakPolarHBondContact CA-OG1 3.38Å; L1104-T1107 PolarHBondContact O-N 2.97Å; L1104-T1107 VanDerWaalsContact O-N 3.08Å; L1104-T1107 PolarHBondContact O-OG1 3.25Å; V1105-T1107 VanDerWaalsContact C-N 3.33Å; V1105-T1107 PolarHBondContact O-N 3.14Å; T1107-Q1111 PolarHBondContact O-NE2 3.45Å |
| 1108 | D | 73.6 | Confident | 80.7 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74.1 | -40.6 | 174.7 | -68 | -16.5 | 0 | 0 | 0 | 110.9 | L1104 V1105 R1110 Q1111 S1112 | L1104-D1108 PolarHBondContact O-N 3.5Å; L1104-D1108 VanDerWaalsContact O-N 3.13Å; V1105-D1108 PolarHBondContact O-N 3.33Å; D1108-R1110 PolarHBondContact O-N 2.94Å; D1108-Q1111 WeakPolarHBondContact O-CA 3.31Å; D1108-Q1111 WeakPolarHBondContact O-CB 3.33Å; D1108-Q1111 PolarHBondContact O-N 3.15Å; D1108-S1112 PolarHBondContact O-N 3.29Å; D1108-S1112 PolarHBondContact O-OG 2.83Å |
| 1109 | V | 73.8 | Confident | 80.4 | Confident | 16 Ų | 16 | 61 Ų | 61 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.4 | -26.1 | 176 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | V1105 Q1111 S1112 L1115 A1119 F1159 | V1105-V1109 HydrophobicContact CG1-CG2 4.2Å; V1105-V1109 WeakPolarHBondContact O-CB 3.42Å; V1105-V1109 WeakPolarHBondContact O-CG2 3.45Å; V1105-V1109 PolarHBondContact O-N 2.94Å; V1109-Q1111 VanDerWaalsContact C-N 3.33Å; V1109-S1112 WeakPolarHBondContact CA-OG 3.37Å; V1109-S1112 PolarHBondContact O-OG 2.88Å; V1109-L1115 HydrophobicContact CB-CD1 4.29Å; V1109-L1115 HydrophobicContact CG1-CB 4.07Å; V1109-L1115 HydrophobicContact CG1-CD1 3.77Å; V1109-L1115 HydrophobicContact CG2-CD1 3.53Å; V1109-A1119 HydrophobicContact CG2-CB 3.68Å; V1109-F1159 HydrophobicContact CG1-CE1 3.84Å; V1109-F1159 HydrophobicContact CG1-CZ 4.15Å |
| 1110 | R | 71.2 | Confident | 80.2 | Confident | 149 Ų | 149 | 61.3 Ų | 61.3 | 56% | 0.562 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.1 | 172.9 | -74.2 | 172.1 | 176.3 | 179.5 | -0.5 | 114 | L1106 D1108 D1158 | L1106-R1110 VanDerWaalsContact O-CG 3.3Å; L1106-R1110 WeakPolarHBondContact O-CG 3.46Å; L1106-R1110 PolarHBondContact O-N 2.86Å; D1108-R1110 PolarHBondContact O-N 2.94Å; R1110-D1158 IonicContact CZ-OD2 3.16Å; R1110-D1158 IonicContact NH2-OD2 3.54Å; R1110-D1158 PolarHBondContact NH2-OD2 2.88Å |
| 1111 | Q | 69.2 | Low | 80.2 | Confident | 154 Ų | 154 | 59 Ų | 59 | 72% | 0.72 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -31.5 | 173.2 | -67.8 | 169.6 | 82.1 | 0 | 0 | 111.9 | T1107 D1108 V1109 | T1107-Q1111 PolarHBondContact O-NE2 3.45Å; D1108-Q1111 WeakPolarHBondContact O-CA 3.31Å; D1108-Q1111 WeakPolarHBondContact O-CB 3.33Å; D1108-Q1111 PolarHBondContact O-N 3.15Å; V1109-Q1111 VanDerWaalsContact C-N 3.33Å |
| 1112 | S | 63.4 | Low | 80.3 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 44% | 0.441 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 149.7 | 169.4 | 57 | 0 | 0 | 0 | 0 | 112.3 | D1108 V1109 G1114 | D1108-S1112 PolarHBondContact O-N 3.29Å; D1108-S1112 PolarHBondContact O-OG 2.83Å; V1109-S1112 WeakPolarHBondContact CA-OG 3.37Å; V1109-S1112 PolarHBondContact O-OG 2.88Å; S1112-G1114 PolarHBondContact O-N 3.42Å; S1112-G1114 PolarHBondContact OG-O 3.13Å |
| 1113 | S | 62.7 | Low | 80.4 | Confident | 139 Ų | 139 | 58.7 Ų | 58.7 | 97% | 0.972 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 52.8 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1114 | G | 69.2 | Low | 80.7 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 139.8 | 156.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1112 S1116 | S1112-G1114 PolarHBondContact O-N 3.42Å; S1112-G1114 PolarHBondContact OG-O 3.13Å; G1114-S1116 PolarHBondContact O-N 3.29Å |
| 1115 | L | 80.3 | Confident | 81 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | trans | -77.1 | 107.2 | 175.7 | -177.4 | 77 | 0 | 0 | 0 | 110.7 | V1109 A1119 E1120 L1123 F1159 K1162 L1165 | V1109-L1115 HydrophobicContact CB-CD1 4.29Å; V1109-L1115 HydrophobicContact CG1-CB 4.07Å; V1109-L1115 HydrophobicContact CG1-CD1 3.77Å; V1109-L1115 HydrophobicContact CG2-CD1 3.53Å; L1115-A1119 HydrophobicContact CD1-CB 3.54Å; L1115-A1119 HydrophobicContact CG-CB 4.34Å; L1115-E1120 HydrophobicContact CD2-CB 3.62Å; L1115-E1120 HydrophobicContact CD2-CG 3.84Å; L1115-E1120 HydrophobicContact CG-CB 4.08Å; L1115-L1123 HydrophobicContact CD1-CD1 3.79Å; L1115-F1159 HydrophobicContact CB-CD1 4.15Å; L1115-F1159 HydrophobicContact CB-CE1 4.14Å; L1115-F1159 HydrophobicContact CD1-CD1 4.5Å; L1115-F1159 HydrophobicContact CD1-CE1 4.19Å; L1115-F1159 HydrophobicContact CD2-CD1 3.84Å; L1115-F1159 HydrophobicContact CD2-CE1 4.34Å; L1115-F1159 HydrophobicContact CD2-CG 4.37Å; L1115-F1159 HydrophobicContact CG-CD1 4.38Å; L1115-F1159 HydrophobicContact CG-CE1 4.46Å; L1115-K1162 HydrophobicContact CD2-CB 4.44Å; L1115-K1162 HydrophobicContact CD2-CD 4.39Å; L1115-K1162 HydrophobicContact CD2-CG 3.81Å; L1115-K1162 PolarHBondContact O-NZ 3.4Å; L1115-L1165 HydrophobicContact CD2-CD2 4Å | ||
| 1116 | S | 83.4 | Confident | 81.5 | Confident | 64 Ų | 64 | 52.4 Ų | 52.4 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | trans | -63.1 | 154.9 | 172.7 | 72.1 | 0 | 0 | 0 | 0 | 112 | G1114 Q1118 A1119 E1120 | G1114-S1116 PolarHBondContact O-N 3.29Å; S1116-Q1118 VanDerWaalsContact C-N 3.25Å; S1116-Q1118 PolarHBondContact O-N 2.87Å; S1116-A1119 PolarHBondContact O-N 2.83Å; S1116-A1119 VanDerWaalsContact O-N 3.09Å; S1116-A1119 WeakPolarHBondContact OG-CB 3.29Å; S1116-A1119 PolarHBondContact OG-N 2.82Å; S1116-E1120 PolarHBondContact O-N 3.46Å | ||
| 1117 | E | 81 | Confident | 81.9 | Confident | 106 Ų | 106 | 51.8 Ų | 51.8 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.6 | -37.2 | 178.6 | -175.7 | 170.9 | -163.8 | 0 | 0 | 112 | E1120 F1121 | E1117-E1120 PolarHBondContact O-N 3.43Å; E1117-F1121 HydrophobicContact CG-CD2 3.85Å; E1117-F1121 HydrophobicContact CG-CE2 3.57Å; E1117-F1121 WeakPolarHBondContact O-CD2 3.47Å; E1117-F1121 PolarHBondContact O-N 3.01Å |
| 1118 | Q | 82.3 | Confident | 82.7 | Confident | 89 Ų | 89 | 49 Ų | 49 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 173.7 | -175.4 | -174.4 | -14.3 | 0 | 0 | 112.5 | M948 H1000 S1116 E1120 S1122 | M948-Q1118 VanDerWaalsContact CE-CD 3.47Å; M948-Q1118 HydrophobicContact CE-CG 3.82Å; M948-Q1118 PolarHBondContact SD-NE2 3.03Å; H1000-Q1118 PolarHBondContact CE1-O 2.9Å; H1000-Q1118 VanDerWaalsContact CE1-O 3.32Å; S1116-Q1118 VanDerWaalsContact C-N 3.25Å; S1116-Q1118 PolarHBondContact O-N 2.87Å; Q1118-E1120 VanDerWaalsContact C-N 3.34Å; Q1118-S1122 WeakPolarHBondContact O-CB 3.33Å; Q1118-S1122 PolarHBondContact O-N 3.47Å; Q1118-S1122 PolarHBondContact O-OG 3.04Å |
| 1119 | A | 87 | Confident | 83.7 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1105 V1109 L1115 S1116 S1122 L1123 | V1105-A1119 HydrophobicContact CG1-CB 3.85Å; V1109-A1119 HydrophobicContact CG2-CB 3.68Å; L1115-A1119 HydrophobicContact CD1-CB 3.54Å; L1115-A1119 HydrophobicContact CG-CB 4.34Å; S1116-A1119 PolarHBondContact O-N 2.83Å; S1116-A1119 VanDerWaalsContact O-N 3.09Å; S1116-A1119 WeakPolarHBondContact OG-CB 3.29Å; S1116-A1119 PolarHBondContact OG-N 2.82Å; A1119-S1122 WeakPolarHBondContact O-CB 3.42Å; A1119-S1122 PolarHBondContact O-N 3.03Å; A1119-L1123 WeakPolarHBondContact O-CG 3.45Å; A1119-L1123 PolarHBondContact O-N 3.36Å |
| 1120 | E | 89.9 | Confident | 84.7 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -50.9 | 174.3 | -168.9 | 173.9 | 167.2 | 0 | 0 | 112.2 | L1115 S1116 E1117 Q1118 S1122 L1123 I1124 K1162 L1165 | L1115-E1120 HydrophobicContact CD2-CB 3.62Å; L1115-E1120 HydrophobicContact CD2-CG 3.84Å; L1115-E1120 HydrophobicContact CG-CB 4.08Å; S1116-E1120 PolarHBondContact O-N 3.46Å; E1117-E1120 PolarHBondContact O-N 3.43Å; Q1118-E1120 VanDerWaalsContact C-N 3.34Å; E1120-S1122 VanDerWaalsContact C-N 3.27Å; E1120-S1122 PolarHBondContact O-N 2.86Å; E1120-L1123 PolarHBondContact O-N 2.89Å; E1120-I1124 HydrophobicContact CG-CD1 4.17Å; E1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; E1120-I1124 PolarHBondContact O-N 3.48Å; E1120-K1162 VanDerWaalsContact OE2-CD 3.3Å; E1120-K1162 WeakPolarHBondContact OE2-CD 3.25Å; E1120-K1162 WeakPolarHBondContact OE2-CE 3.2Å; E1120-K1162 IonicContact OE2-NZ 3.65Å; E1120-K1162 PolarHBondContact OE2-NZ 3.25Å; E1120-L1165 HydrophobicContact CG-CB 3.94Å; E1120-L1165 HydrophobicContact CG-CD2 4.39Å |
| 1121 | F | 90.7 | Very high | 85.9 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -34.9 | 174.7 | -77.8 | -57.3 | 0 | 0 | 0 | 112.4 | Y999 P1025 E1117 I1124 F1125 | Y999-F1121 HydrophobicContact CE1-CB 3.97Å; Y999-F1121 VanDerWaalsContact CE1-O 3.3Å; Y999-F1121 WeakPolarHBondContact CE1-O 3.37Å; Y999-F1121 WeakPolarHBondContact OH-CD1 3.17Å; Y999-F1121 PolarHBondContact OH-O 2.77Å; P1025-F1121 HydrophobicContact CB-CD1 4.49Å; P1025-F1121 HydrophobicContact CB-CD2 4.09Å; P1025-F1121 HydrophobicContact CB-CE2 4.14Å; P1025-F1121 HydrophobicContact CB-CG 4.29Å; P1025-F1121 HydrophobicContact CB-CZ 4.38Å; P1025-F1121 HydrophobicContact CG-CB 4.42Å; P1025-F1121 HydrophobicContact CG-CD1 4.34Å; P1025-F1121 HydrophobicContact CG-CD2 4.42Å; P1025-F1121 HydrophobicContact CG-CG 4.17Å; E1117-F1121 HydrophobicContact CG-CD2 3.85Å; E1117-F1121 HydrophobicContact CG-CE2 3.57Å; E1117-F1121 WeakPolarHBondContact O-CD2 3.47Å; E1117-F1121 PolarHBondContact O-N 3.01Å; F1121-I1124 HydrophobicContact CD1-CD1 4.13Å; F1121-I1124 PolarHBondContact O-N 3.32Å; F1121-F1125 PolarHBondContact O-N 3.47Å |
| 1122 | S | 92.1 | Very high | 87.1 | Confident | 7 Ų | 7 | 31 Ų | 31 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.6 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | H1000 Q1118 A1119 E1120 F1125 H1126 | H1000-S1122 PolarHBondContact CE1-OG 3.49Å; H1000-S1122 PolarHBondContact NE2-OG 3.42Å; Q1118-S1122 WeakPolarHBondContact O-CB 3.33Å; Q1118-S1122 PolarHBondContact O-N 3.47Å; Q1118-S1122 PolarHBondContact O-OG 3.04Å; A1119-S1122 WeakPolarHBondContact O-CB 3.42Å; A1119-S1122 PolarHBondContact O-N 3.03Å; E1120-S1122 VanDerWaalsContact C-N 3.27Å; E1120-S1122 PolarHBondContact O-N 2.86Å; S1122-F1125 PolarHBondContact O-N 2.97Å; S1122-H1126 PolarHBondContact O-N 3.4Å; S1122-H1126 VanDerWaalsContact O-N 3.08Å; S1122-H1126 PolarHBondContact O-ND1 2.97Å |
| 1123 | L | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.5 | -38 | 176.8 | -67.7 | 171 | 0 | 0 | 0 | 111.5 | V1105 L1106 L1115 A1119 E1120 T1127 L1155 L1165 | V1105-L1123 HydrophobicContact CB-CD2 3.96Å; V1105-L1123 HydrophobicContact CB-CG 4.41Å; V1105-L1123 HydrophobicContact CG1-CD1 4.36Å; V1105-L1123 HydrophobicContact CG1-CD2 3.99Å; V1105-L1123 HydrophobicContact CG1-CG 3.89Å; L1106-L1123 HydrophobicContact CD2-CD1 3.73Å; L1106-L1123 HydrophobicContact CD2-CD2 3.85Å; L1106-L1123 HydrophobicContact CD2-CG 4.47Å; L1106-L1123 HydrophobicContact CG-CD2 3.98Å; L1115-L1123 HydrophobicContact CD1-CD1 3.79Å; A1119-L1123 WeakPolarHBondContact O-CG 3.45Å; A1119-L1123 PolarHBondContact O-N 3.36Å; E1120-L1123 PolarHBondContact O-N 2.89Å; L1123-T1127 VanDerWaalsContact O-CB 3.23Å; L1123-T1127 WeakPolarHBondContact O-CB 3.44Å; L1123-T1127 PolarHBondContact O-N 3.33Å; L1123-T1127 PolarHBondContact O-OG1 3.41Å; L1123-L1155 HydrophobicContact CD1-CD2 4.28Å; L1123-L1155 HydrophobicContact CD2-CD2 4.16Å; L1123-L1165 HydrophobicContact CB-CD1 3.68Å; L1123-L1165 HydrophobicContact CB-CD2 4.06Å; L1123-L1165 HydrophobicContact CD1-CD2 3.83Å |
| 1124 | I | 94.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 173.8 | -72.2 | 159.1 | 0 | 0 | 0 | 110.8 | I1023 E1120 F1121 T1127 E1128 F1164 L1165 R1168 | I1023-I1124 HydrophobicContact CB-CG2 3.87Å; I1023-I1124 HydrophobicContact CD1-CG2 4.39Å; I1023-I1124 HydrophobicContact CG2-CG2 3.77Å; E1120-I1124 HydrophobicContact CG-CD1 4.17Å; E1120-I1124 WeakPolarHBondContact O-CG1 3.44Å; E1120-I1124 PolarHBondContact O-N 3.48Å; F1121-I1124 HydrophobicContact CD1-CD1 4.13Å; F1121-I1124 PolarHBondContact O-N 3.32Å; I1124-T1127 PolarHBondContact O-N 3.43Å; I1124-E1128 PolarHBondContact O-N 2.94Å; I1124-F1164 HydrophobicContact CD1-CD1 3.49Å; I1124-F1164 VanDerWaalsContact CD1-CD1 3.49Å; I1124-F1164 HydrophobicContact CD1-CE1 4.01Å; I1124-F1164 HydrophobicContact CD1-CG 4.31Å; I1124-L1165 HydrophobicContact CD1-CB 4.36Å; I1124-L1165 HydrophobicContact CG1-CB 4.05Å; I1124-L1165 HydrophobicContact CG1-CD1 3.93Å; I1124-R1168 HydrophobicContact CG2-CG 4.12Å |
| 1125 | F | 94.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | -179.5 | -178.5 | -110 | 0 | 0 | 0 | 112.4 | L995 L996 Y999 L1004 I1023 F1121 S1122 T1127 E1128 L1129 | L995-F1125 HydrophobicContact CB-CE1 4.04Å; L995-F1125 HydrophobicContact CB-CZ 4.07Å; L996-F1125 HydrophobicContact CD1-CD1 3.94Å; Y999-F1125 HydrophobicContact CD1-CB 3.76Å; Y999-F1125 HydrophobicContact CD1-CD1 4.45Å; Y999-F1125 HydrophobicContact CD1-CD2 4.31Å; Y999-F1125 AromaticContact CD1-CG 3.92Å; Y999-F1125 HydrophobicContact CD1-CG 3.92Å; Y999-F1125 HydrophobicContact CD2-CB 4.16Å; Y999-F1125 AromaticContact CD2-CD2 3.44Å; Y999-F1125 HydrophobicContact CD2-CD2 3.44Å; Y999-F1125 VanDerWaalsContact CD2-CD2 3.44Å; Y999-F1125 HydrophobicContact CD2-CE2 4.04Å; Y999-F1125 AromaticContact CD2-CG 3.91Å; Y999-F1125 HydrophobicContact CD2-CG 3.91Å; Y999-F1125 HydrophobicContact CE1-CB 3.7Å; Y999-F1125 HydrophobicContact CE1-CG 4.33Å; Y999-F1125 HydrophobicContact CE2-CB 4.13Å; Y999-F1125 AromaticContact CE2-CD2 3.96Å; Y999-F1125 HydrophobicContact CE2-CD2 3.96Å; Y999-F1125 HydrophobicContact CE2-CG 4.34Å; Y999-F1125 HydrophobicContact CG-CB 3.99Å; Y999-F1125 HydrophobicContact CG-CD1 4.27Å; Y999-F1125 AromaticContact CG-CD2 3.65Å; Y999-F1125 HydrophobicContact CG-CD2 3.65Å; Y999-F1125 HydrophobicContact CG-CE2 4.2Å; Y999-F1125 AromaticContact CG-CG 3.7Å; Y999-F1125 HydrophobicContact CG-CG 3.7Å; L1004-F1125 HydrophobicContact CD1-CE2 3.56Å; L1004-F1125 HydrophobicContact CD1-CZ 3.61Å; I1023-F1125 HydrophobicContact CD1-CD2 4.25Å; F1121-F1125 PolarHBondContact O-N 3.47Å; S1122-F1125 PolarHBondContact O-N 2.97Å; F1125-T1127 VanDerWaalsContact C-N 3.29Å; F1125-T1127 PolarHBondContact O-N 3.36Å; F1125-E1128 PolarHBondContact O-N 3.13Å; F1125-L1129 HydrophobicContact CE1-CD2 4.07Å; F1125-L1129 HydrophobicContact CZ-CD2 4.1Å; F1125-L1129 VanDerWaalsContact O-CB 3.27Å; F1125-L1129 WeakPolarHBondContact O-CB 3.48Å; F1125-L1129 PolarHBondContact O-N 3.46Å |
| 1126 | H | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.3 | -37.1 | 175.6 | -67.1 | 134.4 | 0 | 0 | 0 | 112.5 | S1101 S1122 T1130 | S1101-H1126 WeakPolarHBondContact CB-NE2 3.43Å; S1122-H1126 PolarHBondContact O-N 3.4Å; S1122-H1126 VanDerWaalsContact O-N 3.08Å; S1122-H1126 PolarHBondContact O-ND1 2.97Å; H1126-T1130 VanDerWaalsContact O-CB 3.25Å; H1126-T1130 WeakPolarHBondContact O-CB 3.27Å; H1126-T1130 PolarHBondContact O-N 3.4Å; H1126-T1130 PolarHBondContact O-OG1 2.95Å |
| 1127 | T | 94.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.4 | -54.3 | 178.4 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | L1123 I1124 F1125 L1129 T1130 V1131 L1152 L1155 A1169 | L1123-T1127 VanDerWaalsContact O-CB 3.23Å; L1123-T1127 WeakPolarHBondContact O-CB 3.44Å; L1123-T1127 PolarHBondContact O-N 3.33Å; L1123-T1127 PolarHBondContact O-OG1 3.41Å; I1124-T1127 PolarHBondContact O-N 3.43Å; F1125-T1127 VanDerWaalsContact C-N 3.29Å; F1125-T1127 PolarHBondContact O-N 3.36Å; T1127-L1129 PolarHBondContact O-N 2.9Å; T1127-T1130 PolarHBondContact O-N 3.33Å; T1127-V1131 VanDerWaalsContact O-CG2 3.26Å; T1127-V1131 WeakPolarHBondContact O-CG2 3.41Å; T1127-V1131 PolarHBondContact O-N 3.02Å; T1127-L1152 HydrophobicContact CG2-CD2 3.75Å; T1127-L1155 VanDerWaalsContact OG1-CD1 3.28Å; T1127-L1155 WeakPolarHBondContact OG1-CD1 3.39Å; T1127-A1169 HydrophobicContact CG2-CB 4.27Å |
| 1128 | E | 95.1 | Very high | 93 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.5 | -37.3 | -178.9 | -74.8 | -71 | 173.9 | 0 | 0 | 112.3 | V1011 I1023 I1124 F1125 V1131 A1132 R1168 R1175 | V1011-E1128 HydrophobicContact CB-CG 4.41Å; V1011-E1128 HydrophobicContact CG1-CB 4.07Å; V1011-E1128 HydrophobicContact CG1-CG 3.93Å; V1011-E1128 HydrophobicContact CG2-CG 4.33Å; I1023-E1128 HydrophobicContact CD1-CB 4.28Å; I1023-E1128 HydrophobicContact CD1-CG 4.42Å; I1023-E1128 HydrophobicContact CG2-CG 4.42Å; I1124-E1128 PolarHBondContact O-N 2.94Å; F1125-E1128 PolarHBondContact O-N 3.13Å; E1128-V1131 PolarHBondContact O-N 3.41Å; E1128-A1132 WeakPolarHBondContact O-CB 3.38Å; E1128-A1132 PolarHBondContact O-N 2.9Å; E1128-R1168 HydrophobicContact CG-CB 4.46Å; E1128-R1168 WeakPolarHBondContact OE1-CD 3.42Å; E1128-R1175 IonicContact OE1-NH1 2.96Å; E1128-R1175 IonicContact OE2-CZ 3.89Å; E1128-R1175 IonicContact OE2-NH1 3.31Å; E1128-R1175 PolarHBondContact OE2-NH1 2.86Å |
| 1129 | L | 94.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 6% | 0.058 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 175 | -172.7 | 57.7 | 0 | 0 | 0 | 112 | M992 L995 I1080 L1098 F1125 T1127 A1132 V1133 | M992-L1129 HydrophobicContact SD-CD2 3.77Å; L995-L1129 HydrophobicContact CD1-CD2 4.42Å; I1080-L1129 HydrophobicContact CD1-CD1 3.63Å; I1080-L1129 HydrophobicContact CG1-CD1 3.71Å; L1098-L1129 HydrophobicContact CD2-CB 4.25Å; L1098-L1129 HydrophobicContact CD2-CD2 3.66Å; L1098-L1129 HydrophobicContact CD2-CG 3.74Å; F1125-L1129 HydrophobicContact CE1-CD2 4.07Å; F1125-L1129 HydrophobicContact CZ-CD2 4.1Å; F1125-L1129 VanDerWaalsContact O-CB 3.27Å; F1125-L1129 WeakPolarHBondContact O-CB 3.48Å; F1125-L1129 PolarHBondContact O-N 3.46Å; T1127-L1129 PolarHBondContact O-N 2.9Å; L1129-A1132 PolarHBondContact O-N 3.11Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.48Å; L1129-V1133 PolarHBondContact O-N 3.23Å |
| 1130 | T | 95.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 173.6 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | L1095 L1099 H1126 T1127 A1134 L1148 | L1095-T1130 HydrophobicContact CD1-CG2 4.16Å; L1099-T1130 HydrophobicContact CD2-CG2 4.43Å; H1126-T1130 VanDerWaalsContact O-CB 3.25Å; H1126-T1130 WeakPolarHBondContact O-CB 3.27Å; H1126-T1130 PolarHBondContact O-N 3.4Å; H1126-T1130 PolarHBondContact O-OG1 2.95Å; T1127-T1130 PolarHBondContact O-N 3.33Å; T1130-A1134 VanDerWaalsContact O-CB 3.23Å; T1130-A1134 WeakPolarHBondContact O-CB 3.34Å; T1130-A1134 PolarHBondContact O-N 3.41Å; T1130-L1148 HydrophobicContact CG2-CD2 3.52Å |
| 1131 | V | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.7 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | T1127 E1128 A1134 L1135 M1176 | T1127-V1131 VanDerWaalsContact O-CG2 3.26Å; T1127-V1131 WeakPolarHBondContact O-CG2 3.41Å; T1127-V1131 PolarHBondContact O-N 3.02Å; E1128-V1131 PolarHBondContact O-N 3.41Å; V1131-A1134 PolarHBondContact O-N 2.95Å; V1131-L1135 HydrophobicContact CG1-CD1 3.86Å; V1131-L1135 HydrophobicContact CG1-CG 4.36Å; V1131-L1135 WeakPolarHBondContact O-CB 3.32Å; V1131-L1135 VanDerWaalsContact O-CG 3.25Å; V1131-L1135 WeakPolarHBondContact O-CG 3.25Å; V1131-L1135 PolarHBondContact O-N 3.38Å; V1131-M1176 HydrophobicContact CB-SD 4.32Å; V1131-M1176 HydrophobicContact CG1-CG 4.24Å; V1131-M1176 HydrophobicContact CG1-SD 4.31Å; V1131-M1176 HydrophobicContact CG2-SD 3.88Å |
| 1132 | A | 95.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 23.5 Ų | 23.5 | 18% | 0.182 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1080 E1128 L1129 A1134 L1135 E1136 | I1080-A1132 HydrophobicContact CD1-CB 4.24Å; I1080-A1132 HydrophobicContact CG2-CB 3.76Å; E1128-A1132 WeakPolarHBondContact O-CB 3.38Å; E1128-A1132 PolarHBondContact O-N 2.9Å; L1129-A1132 PolarHBondContact O-N 3.11Å; A1132-A1134 PolarHBondContact O-N 3.27Å; A1132-L1135 PolarHBondContact O-N 2.9Å; A1132-E1136 PolarHBondContact O-N 3.5Å; A1132-E1136 VanDerWaalsContact O-N 3.16Å |
| 1133 | V | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | I1080 F1091 L1094 L1095 L1098 L1129 L1135 N1137 | I1080-V1133 HydrophobicContact CG2-CG2 4.4Å; F1091-V1133 HydrophobicContact CD2-CG1 4.49Å; F1091-V1133 HydrophobicContact CE2-CG1 3.98Å; L1094-V1133 HydrophobicContact CD2-CG1 3.96Å; L1094-V1133 HydrophobicContact CG-CG1 4.37Å; L1095-V1133 HydrophobicContact CD1-CG1 4.45Å; L1098-V1133 HydrophobicContact CD1-CB 4.27Å; L1098-V1133 HydrophobicContact CD1-CG1 4.37Å; L1098-V1133 HydrophobicContact CD1-CG2 4.16Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.48Å; L1129-V1133 PolarHBondContact O-N 3.23Å; V1133-L1135 VanDerWaalsContact C-N 3.31Å; V1133-L1135 PolarHBondContact O-N 2.92Å; V1133-N1137 WeakPolarHBondContact O-CB 3.5Å; V1133-N1137 PolarHBondContact O-N 2.98Å; V1133-N1137 PolarHBondContact O-ND2 3.2Å |
| 1134 | A | 94.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -31.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1130 V1131 A1132 N1137 R1138 I1141 L1148 M1176 | T1130-A1134 VanDerWaalsContact O-CB 3.23Å; T1130-A1134 WeakPolarHBondContact O-CB 3.34Å; T1130-A1134 PolarHBondContact O-N 3.41Å; V1131-A1134 PolarHBondContact O-N 2.95Å; A1132-A1134 PolarHBondContact O-N 3.27Å; A1134-N1137 CarbonylContact O-C 3.52Å; A1134-R1138 PolarHBondContact O-N 3.36Å; A1134-I1141 HydrophobicContact CB-CD1 3.64Å; A1134-I1141 HydrophobicContact CB-CG1 4.27Å; A1134-L1148 HydrophobicContact CB-CD1 4.49Å; A1134-M1176 HydrophobicContact CB-CE 3.87Å; A1134-M1176 HydrophobicContact CB-SD 4.12Å |
| 1135 | L | 93.6 | Very high | 93.1 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.9 | -40.7 | 179.5 | -74.7 | 174.8 | 0 | 0 | 0 | 113 | V1131 A1132 V1133 N1137 R1138 R1175 M1176 R1179 | V1131-L1135 HydrophobicContact CG1-CD1 3.86Å; V1131-L1135 HydrophobicContact CG1-CG 4.36Å; V1131-L1135 WeakPolarHBondContact O-CB 3.32Å; V1131-L1135 VanDerWaalsContact O-CG 3.25Å; V1131-L1135 WeakPolarHBondContact O-CG 3.25Å; V1131-L1135 PolarHBondContact O-N 3.38Å; A1132-L1135 PolarHBondContact O-N 2.9Å; V1133-L1135 VanDerWaalsContact C-N 3.31Å; V1133-L1135 PolarHBondContact O-N 2.92Å; L1135-N1137 VanDerWaalsContact C-N 3.28Å; L1135-N1137 PolarHBondContact O-N 3.45Å; L1135-R1138 WeakPolarHBondContact O-CB 3.35Å; L1135-R1175 HydrophobicContact CD1-CB 4.29Å; L1135-M1176 HydrophobicContact CD2-CG 4.1Å; L1135-M1176 HydrophobicContact CG-CG 4.28Å; L1135-R1179 HydrophobicContact CD2-CB 3.84Å; L1135-R1179 HydrophobicContact CD2-CG 3.75Å |
| 1136 | E | 94.7 | Very high | 93 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.6 | -34.5 | 171.7 | -75.8 | -68.7 | 106.7 | 0 | 0 | 111.4 | I1080 K1084 A1132 R1138 | I1080-E1136 HydrophobicContact CG2-CG 4.34Å; K1084-E1136 IonicContact NZ-OE2 3.71Å; K1084-E1136 PolarHBondContact NZ-OE2 2.91Å; A1132-E1136 PolarHBondContact O-N 3.5Å; A1132-E1136 VanDerWaalsContact O-N 3.16Å; E1136-R1138 VanDerWaalsContact C-N 3.35Å; E1136-R1138 PolarHBondContact O-N 2.96Å |
| 1137 | N | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 30.4 | -179.4 | -67.6 | -87.2 | 0 | 0 | 0 | 113.9 | S1083 F1091 V1133 A1134 L1135 D1139 R1140 I1141 | S1083-N1137 PolarHBondContact O-OD1 3.43Å; S1083-N1137 VanDerWaalsContact O-OD1 3.1Å; S1083-N1137 PolarHBondContact OG-ND2 3.26Å; F1091-N1137 HydrophobicContact CD2-CB 4Å; F1091-N1137 VanDerWaalsContact CD2-CG 3.44Å; F1091-N1137 WeakPolarHBondContact CD2-OD1 3.32Å; F1091-N1137 HydrophobicContact CE1-CB 4.22Å; F1091-N1137 HydrophobicContact CE2-CB 3.34Å; F1091-N1137 WeakPolarHBondContact CE2-ND2 3.4Å; F1091-N1137 HydrophobicContact CZ-CB 3.47Å; F1091-N1137 VanDerWaalsContact CZ-CB 3.47Å; V1133-N1137 WeakPolarHBondContact O-CB 3.5Å; V1133-N1137 PolarHBondContact O-N 2.98Å; V1133-N1137 PolarHBondContact O-ND2 3.2Å; A1134-N1137 CarbonylContact O-C 3.52Å; L1135-N1137 VanDerWaalsContact C-N 3.28Å; L1135-N1137 PolarHBondContact O-N 3.45Å; N1137-D1139 PolarHBondContact O-N 3.31Å; N1137-R1140 PolarHBondContact O-N 2.9Å; N1137-R1140 PolarHBondContact OD1-NE 3.33Å; N1137-R1140 PolarHBondContact OD1-NH2 3.05Å; N1137-I1141 PolarHBondContact O-N 3Å |
| 1138 | R | 91 | Very high | 92.8 | Very high | 148 Ų | 148 | 44 Ų | 44 | 56% | 0.558 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.6 | -176.4 | 59.3 | 178.2 | -179.5 | 162.1 | -0.9 | 115.1 | A1134 L1135 E1136 L1180 R1183 | A1134-R1138 PolarHBondContact O-N 3.36Å; L1135-R1138 WeakPolarHBondContact O-CB 3.35Å; E1136-R1138 VanDerWaalsContact C-N 3.35Å; E1136-R1138 PolarHBondContact O-N 2.96Å; R1138-L1180 HydrophobicContact CB-CD2 3.73Å; R1138-L1180 WeakPolarHBondContact O-CD2 3.36Å; R1138-R1183 VanDerWaalsContact O-CD 3.24Å; R1138-R1183 WeakPolarHBondContact O-CD 3.4Å; R1138-R1183 PolarHBondContact O-NH1 2.94Å |
| 1139 | D | 89.1 | Confident | 92.7 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -18.8 | 176.8 | 64.4 | -49.5 | 0 | 0 | 0 | 113.3 | N1137 R1183 | N1137-D1139 PolarHBondContact O-N 3.31Å; D1139-R1183 VanDerWaalsContact CA-CZ 3.49Å; D1139-R1183 PolarHBondContact O-NH1 3.42Å; D1139-R1183 PolarHBondContact O-NH2 3Å |
| 1140 | R | 90.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -1 | -173.7 | -51.4 | -171.9 | -66.6 | -172.3 | 13 | 114.4 | S1083 K1084 L1086 F1091 N1137 G1142 | S1083-R1140 PolarHBondContact O-NH2 2.7Å; K1084-R1140 PolarHBondContact O-NH1 2.9Å; K1084-R1140 PolarHBondContact O-NH2 2.74Å; L1086-R1140 PolarHBondContact O-NH1 3.06Å; L1086-R1140 PolarHBondContact O-NH2 2.81Å; F1091-R1140 HydrophobicContact CD1-CB 4.33Å; F1091-R1140 HydrophobicContact CE1-CB 4.17Å; N1137-R1140 PolarHBondContact O-N 2.9Å; N1137-R1140 PolarHBondContact OD1-NE 3.33Å; N1137-R1140 PolarHBondContact OD1-NH2 3.05Å; R1140-G1142 VanDerWaalsContact C-N 3.32Å; R1140-G1142 PolarHBondContact O-N 3.09Å |
| 1141 | I | 90.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -71.2 | -18.3 | -171.8 | -151.1 | 62.9 | 0 | 0 | 0 | 115.4 | F1091 L1095 A1134 N1137 F1144 W1145 L1148 L1180 | F1091-I1141 HydrophobicContact CZ-CD1 3.91Å; L1095-I1141 HydrophobicContact CD2-CD1 4.4Å; A1134-I1141 HydrophobicContact CB-CD1 3.64Å; A1134-I1141 HydrophobicContact CB-CG1 4.27Å; N1137-I1141 PolarHBondContact O-N 3Å; I1141-F1144 CarbonylContact O-C 3.25Å; I1141-F1144 WeakPolarHBondContact O-CA 3.49Å; I1141-F1144 PolarHBondContact O-N 3.4Å; I1141-W1145 PolarHBondContact O-N 2.8Å; I1141-L1148 HydrophobicContact CD1-CD1 3.45Å; I1141-L1148 VanDerWaalsContact CD1-CD1 3.45Å; I1141-L1148 HydrophobicContact CG1-CD1 3.67Å; I1141-L1180 HydrophobicContact CG2-CD1 3.9Å; I1141-L1180 HydrophobicContact CG2-CD2 3.67Å; I1141-L1180 HydrophobicContact CG2-CG 4.46Å | ||
| 1142 | G | 89.1 | Confident | 92.2 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -51 | -53.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1140 F1144 W1145 | R1140-G1142 VanDerWaalsContact C-N 3.32Å; R1140-G1142 PolarHBondContact O-N 3.09Å; G1142-F1144 PolarHBondContact O-N 3.25Å; G1142-W1145 WeakPolarHBondContact O-CB 3.39Å; G1142-W1145 PolarHBondContact O-N 3.5Å; G1142-W1145 VanDerWaalsContact O-N 3.17Å |
| 1143 | P | 89.8 | Confident | 92 | Very high | 112 Ų | 112 | 50 Ų | 50 | 73% | 0.727 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -58 | -22.3 | 177.4 | -26.3 | 36.1 | 0 | 0 | 0 | 114.6 | ||
| 1144 | F | 90.8 | Very high | 91.7 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 18% | 0.18 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -102.8 | -11.2 | -176.5 | -53.4 | -80.7 | 0 | 0 | 0 | 113.4 | F1091 L1095 I1141 G1142 R1146 T1147 L1148 | F1091-F1144 HydrophobicContact CD1-CE2 4.07Å; F1091-F1144 AromaticContact CE1-CD2 3.87Å; F1091-F1144 HydrophobicContact CE1-CD2 3.87Å; F1091-F1144 AromaticContact CE1-CE2 3.77Å; F1091-F1144 HydrophobicContact CE1-CE2 3.77Å; L1095-F1144 HydrophobicContact CD2-CB 3.56Å; L1095-F1144 HydrophobicContact CD2-CD1 3.8Å; L1095-F1144 HydrophobicContact CD2-CD2 4.06Å; L1095-F1144 HydrophobicContact CD2-CG 3.52Å; I1141-F1144 CarbonylContact O-C 3.25Å; I1141-F1144 WeakPolarHBondContact O-CA 3.49Å; I1141-F1144 PolarHBondContact O-N 3.4Å; G1142-F1144 PolarHBondContact O-N 3.25Å; F1144-R1146 VanDerWaalsContact C-N 3.32Å; F1144-R1146 PolarHBondContact O-N 2.97Å; F1144-T1147 WeakPolarHBondContact O-CB 3.22Å; F1144-T1147 PolarHBondContact O-N 2.77Å; F1144-L1148 HydrophobicContact CB-CD1 4.03Å; F1144-L1148 HydrophobicContact CB-CG 4.44Å; F1144-L1148 WeakPolarHBondContact O-CG 3.32Å; F1144-L1148 PolarHBondContact O-N 2.97Å |
| 1145 | W | 92.4 | Very high | 91.5 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.3 | -45.9 | -172.5 | 179.6 | -107.5 | 0 | 0 | 0 | 112.9 | I1141 G1142 T1147 L1148 T1149 L1173 M1176 L1180 D1189 V1190 S1193 | I1141-W1145 PolarHBondContact O-N 2.8Å; G1142-W1145 WeakPolarHBondContact O-CB 3.39Å; G1142-W1145 PolarHBondContact O-N 3.5Å; G1142-W1145 VanDerWaalsContact O-N 3.17Å; W1145-T1147 PolarHBondContact O-N 3.3Å; W1145-L1148 PolarHBondContact O-N 3.35Å; W1145-T1149 HydrophobicContact CD2-CG2 4Å; W1145-T1149 HydrophobicContact CE3-CG2 4.48Å; W1145-T1149 HydrophobicContact CH2-CG2 3.91Å; W1145-T1149 HydrophobicContact CZ2-CG2 3.34Å; W1145-T1149 HydrophobicContact CZ3-CG2 4.45Å; W1145-T1149 WeakPolarHBondContact O-CB 3.41Å; W1145-T1149 WeakPolarHBondContact O-CG2 3.5Å; W1145-T1149 PolarHBondContact O-N 2.92Å; W1145-T1149 PolarHBondContact O-OG1 3.29Å; W1145-L1173 HydrophobicContact CH2-CD1 4.3Å; W1145-L1173 HydrophobicContact CZ2-CD1 4.48Å; W1145-M1176 HydrophobicContact CE3-CE 4.22Å; W1145-M1176 HydrophobicContact CH2-CB 4.23Å; W1145-M1176 HydrophobicContact CH2-CE 4.39Å; W1145-M1176 HydrophobicContact CZ3-CB 4.09Å; W1145-M1176 HydrophobicContact CZ3-CE 3.57Å; W1145-L1180 HydrophobicContact CE3-CD1 3.78Å; W1145-L1180 HydrophobicContact CH2-CD1 4.15Å; W1145-L1180 HydrophobicContact CZ3-CD1 3.32Å; W1145-D1189 VanDerWaalsContact NE1-C 3.32Å; W1145-D1189 PolarHBondContact NE1-O 2.9Å; W1145-D1189 VanDerWaalsContact NE1-O 3.13Å; W1145-V1190 HydrophobicContact CD2-CG2 4.07Å; W1145-V1190 HydrophobicContact CE3-CG2 4.39Å; W1145-V1190 HydrophobicContact CH2-CG1 4.28Å; W1145-V1190 HydrophobicContact CH2-CG2 3.93Å; W1145-V1190 HydrophobicContact CZ2-CB 3.92Å; W1145-V1190 HydrophobicContact CZ2-CG1 4.02Å; W1145-V1190 HydrophobicContact CZ2-CG2 3.55Å; W1145-V1190 HydrophobicContact CZ3-CG2 4.32Å; W1145-S1193 WeakPolarHBondContact CZ2-OG 3.21Å |
| 1146 | R | 91.3 | Very high | 91.2 | Very high | 205 Ų | 205 | 50.1 Ų | 50.1 | 77% | 0.774 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 177.7 | -173.4 | 174.1 | -178.2 | 145.2 | 2 | 112.6 | F1144 T1149 T1150 | F1144-R1146 VanDerWaalsContact C-N 3.32Å; F1144-R1146 PolarHBondContact O-N 2.97Å; R1146-T1149 WeakPolarHBondContact CA-OG1 3.46Å; R1146-T1149 PolarHBondContact O-OG1 3.3Å; R1146-T1150 VanDerWaalsContact O-CB 3.28Å; R1146-T1150 WeakPolarHBondContact O-CB 3.31Å; R1146-T1150 PolarHBondContact O-N 2.97Å; R1146-T1150 PolarHBondContact O-OG1 2.91Å |
| 1147 | T | 91.6 | Very high | 90.8 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.1 | -44.9 | 178.5 | -48.5 | 0 | 0 | 0 | 0 | 110.9 | L1099 F1144 W1145 T1150 H1151 | L1099-T1147 HydrophobicContact CD1-CG2 3.96Å; F1144-T1147 WeakPolarHBondContact O-CB 3.22Å; F1144-T1147 PolarHBondContact O-N 2.77Å; W1145-T1147 PolarHBondContact O-N 3.3Å; T1147-T1150 PolarHBondContact O-N 3.32Å; T1147-H1151 WeakPolarHBondContact O-CB 3.29Å; T1147-H1151 PolarHBondContact O-N 3.06Å |
| 1148 | L | 93.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 178.7 | -69.9 | 164.6 | 0 | 0 | 0 | 111.9 | L1095 L1099 T1130 A1134 I1141 F1144 W1145 T1150 H1151 L1152 M1176 | L1095-L1148 HydrophobicContact CD1-CD2 4.13Å; L1095-L1148 HydrophobicContact CD2-CD1 4.22Å; L1095-L1148 HydrophobicContact CD2-CD2 4.35Å; L1095-L1148 HydrophobicContact CD2-CG 4.5Å; L1095-L1148 HydrophobicContact CG-CD2 4.41Å; L1099-L1148 HydrophobicContact CD1-CD2 4.31Å; L1099-L1148 HydrophobicContact CD2-CD2 4.27Å; T1130-L1148 HydrophobicContact CG2-CD2 3.52Å; A1134-L1148 HydrophobicContact CB-CD1 4.49Å; I1141-L1148 HydrophobicContact CD1-CD1 3.45Å; I1141-L1148 VanDerWaalsContact CD1-CD1 3.45Å; I1141-L1148 HydrophobicContact CG1-CD1 3.67Å; F1144-L1148 HydrophobicContact CB-CD1 4.03Å; F1144-L1148 HydrophobicContact CB-CG 4.44Å; F1144-L1148 WeakPolarHBondContact O-CG 3.32Å; F1144-L1148 PolarHBondContact O-N 2.97Å; W1145-L1148 PolarHBondContact O-N 3.35Å; L1148-T1150 PolarHBondContact O-N 3.25Å; L1148-H1151 PolarHBondContact O-N 3Å; L1148-L1152 WeakPolarHBondContact O-CG 3.24Å; L1148-L1152 PolarHBondContact O-N 3.47Å; L1148-M1176 HydrophobicContact CB-CE 4.32Å; L1148-M1176 HydrophobicContact CD1-CE 4.13Å |
| 1149 | T | 92.8 | Very high | 90 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 177.7 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | W1145 R1146 H1151 F1153 L1173 | W1145-T1149 HydrophobicContact CD2-CG2 4Å; W1145-T1149 HydrophobicContact CE3-CG2 4.48Å; W1145-T1149 HydrophobicContact CH2-CG2 3.91Å; W1145-T1149 HydrophobicContact CZ2-CG2 3.34Å; W1145-T1149 HydrophobicContact CZ3-CG2 4.45Å; W1145-T1149 WeakPolarHBondContact O-CB 3.41Å; W1145-T1149 WeakPolarHBondContact O-CG2 3.5Å; W1145-T1149 PolarHBondContact O-N 2.92Å; W1145-T1149 PolarHBondContact O-OG1 3.29Å; R1146-T1149 WeakPolarHBondContact CA-OG1 3.46Å; R1146-T1149 PolarHBondContact O-OG1 3.3Å; T1149-H1151 VanDerWaalsContact C-N 3.33Å; T1149-H1151 PolarHBondContact O-N 3.1Å; T1149-F1153 VanDerWaalsContact O-CB 3.23Å; T1149-F1153 WeakPolarHBondContact O-CB 3.4Å; T1149-F1153 PolarHBondContact O-N 3.18Å; T1149-L1173 HydrophobicContact CG2-CD1 3.98Å |
| 1150 | T | 91.1 | Very high | 89.7 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 173.6 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | R1146 T1147 L1148 S1154 | R1146-T1150 VanDerWaalsContact O-CB 3.28Å; R1146-T1150 WeakPolarHBondContact O-CB 3.31Å; R1146-T1150 PolarHBondContact O-N 2.97Å; R1146-T1150 PolarHBondContact O-OG1 2.91Å; T1147-T1150 PolarHBondContact O-N 3.32Å; L1148-T1150 PolarHBondContact O-N 3.25Å; T1150-S1154 PolarHBondContact O-N 3.17Å |
| 1151 | H | 92.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 11% | 0.106 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -51.1 | 178.6 | -177.6 | 54.8 | 0 | 0 | 0 | 112.4 | L1099 S1102 T1147 L1148 T1149 F1153 S1154 L1155 | L1099-H1151 HydrophobicContact CD2-CB 3.91Å; L1099-H1151 VanDerWaalsContact CD2-CD2 3.44Å; L1099-H1151 WeakPolarHBondContact CD2-CD2 3.28Å; S1102-H1151 WeakPolarHBondContact CB-NE2 3.4Å; S1102-H1151 PolarHBondContact OG-CE1 3Å; S1102-H1151 PolarHBondContact OG-NE2 3.22Å; T1147-H1151 WeakPolarHBondContact O-CB 3.29Å; T1147-H1151 PolarHBondContact O-N 3.06Å; L1148-H1151 PolarHBondContact O-N 3Å; T1149-H1151 VanDerWaalsContact C-N 3.33Å; T1149-H1151 PolarHBondContact O-N 3.1Å; H1151-F1153 VanDerWaalsContact C-N 3.28Å; H1151-F1153 PolarHBondContact O-N 3.36Å; H1151-S1154 PolarHBondContact O-N 3.33Å; H1151-S1154 VanDerWaalsContact O-N 3.1Å; H1151-S1154 PolarHBondContact O-OG 3.23Å; H1151-L1155 PolarHBondContact O-N 3.3Å; H1151-L1155 VanDerWaalsContact O-N 3.14Å |
| 1152 | L | 92.9 | Very high | 89 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 176.5 | -69.7 | 173.8 | 0 | 0 | 0 | 111.4 | T1127 L1148 S1154 L1155 I1156 A1169 L1173 M1176 | T1127-L1152 HydrophobicContact CG2-CD2 3.75Å; L1148-L1152 WeakPolarHBondContact O-CG 3.24Å; L1148-L1152 PolarHBondContact O-N 3.47Å; L1152-S1154 PolarHBondContact O-N 3.08Å; L1152-L1155 PolarHBondContact O-N 3.09Å; L1152-I1156 WeakPolarHBondContact O-CG1 3.37Å; L1152-I1156 PolarHBondContact O-N 3.08Å; L1152-I1156 VanDerWaalsContact O-N 3.12Å; L1152-A1169 HydrophobicContact CD2-CB 4.47Å; L1152-L1173 HydrophobicContact CD1-CB 4.27Å; L1152-L1173 HydrophobicContact CD1-CD1 4.42Å; L1152-M1176 HydrophobicContact CD1-SD 4.19Å |
| 1153 | F | 90.3 | Very high | 88.9 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 19% | 0.193 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -36.4 | 177.7 | -174.5 | -107.1 | 0 | 0 | 0 | 112.9 | T1149 H1151 L1155 I1156 S1157 L1196 T1199 | T1149-F1153 VanDerWaalsContact O-CB 3.23Å; T1149-F1153 WeakPolarHBondContact O-CB 3.4Å; T1149-F1153 PolarHBondContact O-N 3.18Å; H1151-F1153 VanDerWaalsContact C-N 3.28Å; H1151-F1153 PolarHBondContact O-N 3.36Å; F1153-L1155 VanDerWaalsContact C-N 3.29Å; F1153-L1155 PolarHBondContact O-N 2.71Å; F1153-I1156 PolarHBondContact O-N 3.47Å; F1153-I1156 VanDerWaalsContact O-N 3.17Å; F1153-S1157 WeakPolarHBondContact CE1-OG 3.47Å; F1153-S1157 WeakPolarHBondContact CZ-OG 3.49Å; F1153-S1157 PolarHBondContact O-N 3.32Å; F1153-L1196 HydrophobicContact CB-CD1 4.24Å; F1153-L1196 HydrophobicContact CD2-CB 3.66Å; F1153-L1196 HydrophobicContact CD2-CD1 4.45Å; F1153-L1196 HydrophobicContact CE2-CB 3.84Å; F1153-L1196 VanDerWaalsContact CE2-O 3.23Å; F1153-L1196 WeakPolarHBondContact CE2-O 3.43Å; F1153-L1196 HydrophobicContact CG-CB 4.17Å; F1153-L1196 HydrophobicContact CG-CD1 4.14Å; F1153-L1196 HydrophobicContact CZ-CB 4.46Å; F1153-T1199 WeakPolarHBondContact CZ-OG1 3.28Å |
| 1154 | S | 89.2 | Confident | 88.8 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 173.6 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | T1150 H1151 L1152 D1158 | T1150-S1154 PolarHBondContact O-N 3.17Å; H1151-S1154 PolarHBondContact O-N 3.33Å; H1151-S1154 VanDerWaalsContact O-N 3.1Å; H1151-S1154 PolarHBondContact O-OG 3.23Å; L1152-S1154 PolarHBondContact O-N 3.08Å; S1154-D1158 VanDerWaalsContact O-CB 3.25Å; S1154-D1158 WeakPolarHBondContact O-CB 3.41Å; S1154-D1158 PolarHBondContact O-N 2.94Å |
| 1155 | L | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.3 | -62.4 | 174.4 | 0 | 0 | 0 | 111.7 | L1106 L1123 T1127 H1151 L1152 F1153 F1159 A1169 | L1106-L1155 HydrophobicContact CD1-CD2 4.1Å; L1106-L1155 HydrophobicContact CD2-CD2 3.97Å; L1106-L1155 HydrophobicContact CG-CD2 4.49Å; L1123-L1155 HydrophobicContact CD1-CD2 4.28Å; L1123-L1155 HydrophobicContact CD2-CD2 4.16Å; T1127-L1155 VanDerWaalsContact OG1-CD1 3.28Å; T1127-L1155 WeakPolarHBondContact OG1-CD1 3.39Å; H1151-L1155 PolarHBondContact O-N 3.3Å; H1151-L1155 VanDerWaalsContact O-N 3.14Å; L1152-L1155 PolarHBondContact O-N 3.09Å; F1153-L1155 VanDerWaalsContact C-N 3.29Å; F1153-L1155 PolarHBondContact O-N 2.71Å; L1155-F1159 HydrophobicContact CD2-CD2 4.37Å; L1155-F1159 HydrophobicContact CD2-CE2 4.39Å; L1155-F1159 PolarHBondContact O-N 3.13Å; L1155-A1169 HydrophobicContact CB-CB 4.27Å |
| 1156 | I | 88.9 | Confident | 88.7 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | -179.6 | -68.8 | 167.1 | 0 | 0 | 0 | 112.3 | L1152 F1153 S1160 T1166 A1169 L1197 M1200 | L1152-I1156 WeakPolarHBondContact O-CG1 3.37Å; L1152-I1156 PolarHBondContact O-N 3.08Å; L1152-I1156 VanDerWaalsContact O-N 3.12Å; F1153-I1156 PolarHBondContact O-N 3.47Å; F1153-I1156 VanDerWaalsContact O-N 3.17Å; I1156-S1160 WeakPolarHBondContact O-CB 3.12Å; I1156-T1166 HydrophobicContact CG2-CG2 4.31Å; I1156-A1169 HydrophobicContact CD1-CB 4.15Å; I1156-A1169 HydrophobicContact CG1-CB 3.69Å; I1156-L1197 HydrophobicContact CD1-CD2 4.2Å; I1156-M1200 HydrophobicContact CG2-CE 3.62Å; I1156-M1200 HydrophobicContact CG2-CG 3.71Å; I1156-M1200 HydrophobicContact CG2-SD 3.48Å; I1156-M1200 WeakPolarHBondContact CG2-SD 3.3Å |
| 1157 | S | 84.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -80.4 | -57.6 | 177.1 | -77.8 | 0 | 0 | 0 | 0 | 113.4 | F1153 F1159 S1160 | F1153-S1157 WeakPolarHBondContact CE1-OG 3.47Å; F1153-S1157 WeakPolarHBondContact CZ-OG 3.49Å; F1153-S1157 PolarHBondContact O-N 3.32Å; S1157-F1159 PolarHBondContact O-N 3.01Å; S1157-S1160 WeakPolarHBondContact O-CB 3.34Å; S1157-S1160 PolarHBondContact O-N 2.87Å; S1157-S1160 PolarHBondContact O-OG 3.36Å |
| 1158 | D | 83.4 | Confident | 88.8 | Confident | 82 Ų | 82 | 38.4 Ų | 38.4 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63 | -30.7 | -171.4 | -72.5 | 19.4 | 0 | 0 | 0 | 111.7 | R1110 S1154 | R1110-D1158 IonicContact CZ-OD2 3.16Å; R1110-D1158 IonicContact NH2-OD2 3.54Å; R1110-D1158 PolarHBondContact NH2-OD2 2.88Å; S1154-D1158 VanDerWaalsContact O-CB 3.25Å; S1154-D1158 WeakPolarHBondContact O-CB 3.41Å; S1154-D1158 PolarHBondContact O-N 2.94Å |
| 1159 | F | 86.3 | Confident | 88.8 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 29.8 | -177.1 | -52 | -79.1 | 0 | 0 | 0 | 113.3 | L1106 V1109 L1115 L1155 S1157 E1161 K1162 L1165 T1166 | L1106-F1159 HydrophobicContact CD2-CD2 4.46Å; L1106-F1159 HydrophobicContact CD2-CE2 3.35Å; L1106-F1159 HydrophobicContact CD2-CZ 3.54Å; V1109-F1159 HydrophobicContact CG1-CE1 3.84Å; V1109-F1159 HydrophobicContact CG1-CZ 4.15Å; L1115-F1159 HydrophobicContact CB-CD1 4.15Å; L1115-F1159 HydrophobicContact CB-CE1 4.14Å; L1115-F1159 HydrophobicContact CD1-CD1 4.5Å; L1115-F1159 HydrophobicContact CD1-CE1 4.19Å; L1115-F1159 HydrophobicContact CD2-CD1 3.84Å; L1115-F1159 HydrophobicContact CD2-CE1 4.34Å; L1115-F1159 HydrophobicContact CD2-CG 4.37Å; L1115-F1159 HydrophobicContact CG-CD1 4.38Å; L1115-F1159 HydrophobicContact CG-CE1 4.46Å; L1155-F1159 HydrophobicContact CD2-CD2 4.37Å; L1155-F1159 HydrophobicContact CD2-CE2 4.39Å; L1155-F1159 PolarHBondContact O-N 3.13Å; S1157-F1159 PolarHBondContact O-N 3.01Å; F1159-E1161 PolarHBondContact O-N 2.9Å; F1159-K1162 HydrophobicContact CB-CB 4.22Å; F1159-K1162 HydrophobicContact CB-CG 4.32Å; F1159-K1162 WeakPolarHBondContact O-CA 3.41Å; F1159-K1162 WeakPolarHBondContact O-CB 3.34Å; F1159-K1162 PolarHBondContact O-N 3.26Å; F1159-L1165 HydrophobicContact CB-CD2 4.01Å; F1159-L1165 HydrophobicContact CD2-CD2 4.32Å; F1159-L1165 HydrophobicContact CG-CD2 4.15Å; F1159-T1166 PolarHBondContact O-OG1 3.3Å; F1159-T1166 VanDerWaalsContact O-OG1 3.1Å |
| 1160 | S | 82.6 | Confident | 88.8 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -7.5 | -178.6 | 48.2 | 0 | 0 | 0 | 0 | 116.8 | I1156 S1157 S1204 | I1156-S1160 WeakPolarHBondContact O-CB 3.12Å; S1157-S1160 WeakPolarHBondContact O-CB 3.34Å; S1157-S1160 PolarHBondContact O-N 2.87Å; S1157-S1160 PolarHBondContact O-OG 3.36Å; S1160-S1204 PolarHBondContact O-OG 2.76Å |
| 1161 | E | 80 | Confident | 88.9 | Confident | 171 Ų | 171 | 33.6 Ų | 33.6 | 80% | 0.799 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -23.5 | 171.7 | -67.2 | 168.7 | -163.7 | 0 | 0 | 112.8 | F1159 R1163 | F1159-E1161 PolarHBondContact O-N 2.9Å; E1161-R1163 PolarHBondContact O-N 3.06Å; E1161-R1163 VanDerWaalsContact O-N 3.16Å |
| 1162 | K | 86.2 | Confident | 88.9 | Confident | 59 Ų | 59 | 32.5 Ų | 32.5 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | trans | -87.5 | 85.8 | -178.8 | -62.6 | -62.1 | -152.6 | 124.6 | 0 | 109.4 | L1115 E1120 F1159 F1164 L1165 T1166 | L1115-K1162 HydrophobicContact CD2-CB 4.44Å; L1115-K1162 HydrophobicContact CD2-CD 4.39Å; L1115-K1162 HydrophobicContact CD2-CG 3.81Å; L1115-K1162 PolarHBondContact O-NZ 3.4Å; E1120-K1162 VanDerWaalsContact OE2-CD 3.3Å; E1120-K1162 WeakPolarHBondContact OE2-CD 3.25Å; E1120-K1162 WeakPolarHBondContact OE2-CE 3.2Å; E1120-K1162 IonicContact OE2-NZ 3.65Å; E1120-K1162 PolarHBondContact OE2-NZ 3.25Å; F1159-K1162 HydrophobicContact CB-CB 4.22Å; F1159-K1162 HydrophobicContact CB-CG 4.32Å; F1159-K1162 WeakPolarHBondContact O-CA 3.41Å; F1159-K1162 WeakPolarHBondContact O-CB 3.34Å; F1159-K1162 PolarHBondContact O-N 3.26Å; K1162-F1164 PolarHBondContact O-N 3.07Å; K1162-L1165 HydrophobicContact CB-CB 4.42Å; K1162-L1165 PolarHBondContact O-N 3.4Å; K1162-T1166 WeakPolarHBondContact O-CB 3.29Å; K1162-T1166 PolarHBondContact O-N 3.41Å; K1162-T1166 PolarHBondContact O-OG1 3.29Å | ||
| 1163 | R | 86 | Confident | 88.9 | Confident | 136 Ų | 136 | 32.5 Ų | 32.5 | 51% | 0.513 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -46.3 | -55.2 | -171.8 | -177.3 | 179.1 | -178.9 | 163.6 | 10.5 | 112.9 | E1161 T1166 E1167 V1207 M1208 | E1161-R1163 PolarHBondContact O-N 3.06Å; E1161-R1163 VanDerWaalsContact O-N 3.16Å; R1163-T1166 PolarHBondContact O-N 2.91Å; R1163-E1167 IonicContact NE-OE2 3.49Å; R1163-E1167 VanDerWaalsContact O-CB 3.3Å; R1163-E1167 WeakPolarHBondContact O-CB 3.47Å; R1163-E1167 PolarHBondContact O-N 2.93Å; R1163-V1207 HydrophobicContact CG-CG1 3.86Å; R1163-M1208 HydrophobicContact CG-CE 3.93Å |
| 1164 | F | 89.3 | Confident | 89.1 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.2 | -38.7 | -168.8 | -170 | -131.3 | 0 | 0 | 0 | 113 | I1021 I1023 I1124 K1162 E1167 R1168 | I1021-F1164 HydrophobicContact CD1-CE2 3.94Å; I1021-F1164 HydrophobicContact CG1-CE2 4.49Å; I1023-F1164 HydrophobicContact CG2-CE1 4.44Å; I1023-F1164 HydrophobicContact CG2-CZ 4.05Å; I1124-F1164 HydrophobicContact CD1-CD1 3.49Å; I1124-F1164 VanDerWaalsContact CD1-CD1 3.49Å; I1124-F1164 HydrophobicContact CD1-CE1 4.01Å; I1124-F1164 HydrophobicContact CD1-CG 4.31Å; K1162-F1164 PolarHBondContact O-N 3.07Å; F1164-E1167 WeakPolarHBondContact O-CB 3.48Å; F1164-E1167 PolarHBondContact O-N 3.4Å; F1164-R1168 HydrophobicContact CD2-CG 4.42Å; F1164-R1168 HydrophobicContact CE2-CG 4.13Å; F1164-R1168 HydrophobicContact CZ-CG 4.26Å; F1164-R1168 WeakPolarHBondContact O-CG 3.26Å; F1164-R1168 PolarHBondContact O-N 3.05Å |
| 1165 | L | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 170.9 | 172.8 | 60.2 | 0 | 0 | 0 | 111.9 | L1115 E1120 L1123 I1124 F1159 K1162 E1167 R1168 A1169 | L1115-L1165 HydrophobicContact CD2-CD2 4Å; E1120-L1165 HydrophobicContact CG-CB 3.94Å; E1120-L1165 HydrophobicContact CG-CD2 4.39Å; L1123-L1165 HydrophobicContact CB-CD1 3.68Å; L1123-L1165 HydrophobicContact CB-CD2 4.06Å; L1123-L1165 HydrophobicContact CD1-CD2 3.83Å; I1124-L1165 HydrophobicContact CD1-CB 4.36Å; I1124-L1165 HydrophobicContact CG1-CB 4.05Å; I1124-L1165 HydrophobicContact CG1-CD1 3.93Å; F1159-L1165 HydrophobicContact CB-CD2 4.01Å; F1159-L1165 HydrophobicContact CD2-CD2 4.32Å; F1159-L1165 HydrophobicContact CG-CD2 4.15Å; K1162-L1165 HydrophobicContact CB-CB 4.42Å; K1162-L1165 PolarHBondContact O-N 3.4Å; L1165-E1167 PolarHBondContact O-N 3.13Å; L1165-R1168 PolarHBondContact O-N 2.89Å; L1165-A1169 WeakPolarHBondContact O-CB 3.47Å; L1165-A1169 PolarHBondContact O-N 3.05Å |
| 1166 | T | 90.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | I1156 F1159 K1162 R1163 T1170 M1200 M1208 | I1156-T1166 HydrophobicContact CG2-CG2 4.31Å; F1159-T1166 PolarHBondContact O-OG1 3.3Å; F1159-T1166 VanDerWaalsContact O-OG1 3.1Å; K1162-T1166 WeakPolarHBondContact O-CB 3.29Å; K1162-T1166 PolarHBondContact O-N 3.41Å; K1162-T1166 PolarHBondContact O-OG1 3.29Å; R1163-T1166 PolarHBondContact O-N 2.91Å; T1166-T1170 VanDerWaalsContact O-CB 3.31Å; T1166-T1170 WeakPolarHBondContact O-CB 3.29Å; T1166-T1170 PolarHBondContact O-N 3.25Å; T1166-T1170 PolarHBondContact O-OG1 2.95Å; T1166-M1200 HydrophobicContact CG2-CE 3.9Å; T1166-M1208 HydrophobicContact CG2-CG 4.18Å; T1166-M1208 HydrophobicContact CG2-SD 4.1Å |
| 1167 | E | 90.6 | Very high | 89.7 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -49 | 178.8 | -153.8 | -179.1 | 108.9 | 0 | 0 | 112.4 | R1163 F1164 L1165 T1170 V1171 M1208 Q1211 | R1163-E1167 IonicContact NE-OE2 3.49Å; R1163-E1167 VanDerWaalsContact O-CB 3.3Å; R1163-E1167 WeakPolarHBondContact O-CB 3.47Å; R1163-E1167 PolarHBondContact O-N 2.93Å; F1164-E1167 WeakPolarHBondContact O-CB 3.48Å; F1164-E1167 PolarHBondContact O-N 3.4Å; L1165-E1167 PolarHBondContact O-N 3.13Å; E1167-T1170 PolarHBondContact O-N 2.84Å; E1167-V1171 WeakPolarHBondContact O-CB 3.33Å; E1167-V1171 WeakPolarHBondContact O-CG2 3.48Å; E1167-V1171 PolarHBondContact O-N 3.09Å; E1167-M1208 WeakPolarHBondContact CA-SD 3.43Å; E1167-M1208 HydrophobicContact CB-CE 3.8Å; E1167-M1208 HydrophobicContact CB-SD 3.69Å; E1167-M1208 HydrophobicContact CG-CE 3.76Å; E1167-M1208 HydrophobicContact CG-SD 3.82Å; E1167-Q1211 HydrophobicContact CG-CG 3.84Å; E1167-Q1211 PolarHBondContact OE1-NE2 2.7Å; E1167-Q1211 VanDerWaalsContact OE1-NE2 3.09Å; E1167-Q1211 PolarHBondContact OE2-NE2 2.94Å |
| 1168 | R | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 178.5 | -64.2 | -52.8 | 94.1 | -154.7 | 7.2 | 112.1 | D1013 I1023 I1124 E1128 F1164 L1165 T1170 G1172 | D1013-R1168 IonicContact OD2-CZ 3.51Å; D1013-R1168 VanDerWaalsContact OD2-CZ 3.24Å; D1013-R1168 IonicContact OD2-NH1 2.65Å; D1013-R1168 PolarHBondContact OD2-NH1 3.05Å; D1013-R1168 IonicContact OD2-NH2 3.03Å; D1013-R1168 PolarHBondContact OD2-NH2 3.17Å; I1023-R1168 HydrophobicContact CG2-CG 4.33Å; I1124-R1168 HydrophobicContact CG2-CG 4.12Å; E1128-R1168 HydrophobicContact CG-CB 4.46Å; E1128-R1168 WeakPolarHBondContact OE1-CD 3.42Å; F1164-R1168 HydrophobicContact CD2-CG 4.42Å; F1164-R1168 HydrophobicContact CE2-CG 4.13Å; F1164-R1168 HydrophobicContact CZ-CG 4.26Å; F1164-R1168 WeakPolarHBondContact O-CG 3.26Å; F1164-R1168 PolarHBondContact O-N 3.05Å; L1165-R1168 PolarHBondContact O-N 2.89Å; R1168-T1170 PolarHBondContact O-N 2.64Å; R1168-G1172 PolarHBondContact O-N 3.46Å |
| 1169 | A | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1127 L1152 L1155 I1156 L1165 L1173 | T1127-A1169 HydrophobicContact CG2-CB 4.27Å; L1152-A1169 HydrophobicContact CD2-CB 4.47Å; L1155-A1169 HydrophobicContact CB-CB 4.27Å; I1156-A1169 HydrophobicContact CD1-CB 4.15Å; I1156-A1169 HydrophobicContact CG1-CB 3.69Å; L1165-A1169 WeakPolarHBondContact O-CB 3.47Å; L1165-A1169 PolarHBondContact O-N 3.05Å; A1169-L1173 PolarHBondContact O-N 2.88Å; A1169-L1173 VanDerWaalsContact O-N 3.09Å |
| 1170 | T | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.2 | -45.8 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | T1166 E1167 R1168 G1172 L1173 M1174 L1197 I1212 | T1166-T1170 VanDerWaalsContact O-CB 3.31Å; T1166-T1170 WeakPolarHBondContact O-CB 3.29Å; T1166-T1170 PolarHBondContact O-N 3.25Å; T1166-T1170 PolarHBondContact O-OG1 2.95Å; E1167-T1170 PolarHBondContact O-N 2.84Å; R1168-T1170 PolarHBondContact O-N 2.64Å; T1170-G1172 VanDerWaalsContact C-N 3.34Å; T1170-L1173 PolarHBondContact O-N 3.39Å; T1170-M1174 WeakPolarHBondContact O-CG 3.37Å; T1170-M1174 PolarHBondContact O-N 2.91Å; T1170-M1174 VanDerWaalsContact O-N 3.08Å; T1170-L1197 HydrophobicContact CG2-CD2 4.16Å; T1170-I1212 HydrophobicContact CG2-CD1 4.06Å; T1170-I1212 HydrophobicContact CG2-CG1 3.59Å |
| 1171 | V | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 111 | F1014 E1167 M1174 R1175 Q1211 | F1014-V1171 HydrophobicContact CD2-CG1 4.1Å; F1014-V1171 HydrophobicContact CE2-CG1 4.02Å; E1167-V1171 WeakPolarHBondContact O-CB 3.33Å; E1167-V1171 WeakPolarHBondContact O-CG2 3.48Å; E1167-V1171 PolarHBondContact O-N 3.09Å; V1171-M1174 PolarHBondContact O-N 3.35Å; V1171-R1175 HydrophobicContact CG1-CG 4.17Å; V1171-R1175 WeakPolarHBondContact O-CB 3.41Å; V1171-R1175 VanDerWaalsContact O-CG 3.26Å; V1171-R1175 WeakPolarHBondContact O-CG 3.36Å; V1171-R1175 PolarHBondContact O-N 2.99Å; V1171-Q1211 HydrophobicContact CG2-CB 3.8Å; V1171-Q1211 HydrophobicContact CG2-CG 3.79Å |
| 1172 | G | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1168 T1170 M1174 R1175 M1176 | R1168-G1172 PolarHBondContact O-N 3.46Å; T1170-G1172 VanDerWaalsContact C-N 3.34Å; G1172-M1174 VanDerWaalsContact C-N 3.32Å; G1172-M1174 PolarHBondContact O-N 3.5Å; G1172-R1175 PolarHBondContact O-N 2.95Å; G1172-M1176 WeakPolarHBondContact O-CG 3.31Å; G1172-M1176 PolarHBondContact O-N 2.93Å |
| 1173 | L | 93.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 174.2 | -179.9 | 62.6 | 0 | 0 | 0 | 111.7 | W1145 T1149 L1152 A1169 T1170 M1176 A1177 L1194 L1197 | W1145-L1173 HydrophobicContact CH2-CD1 4.3Å; W1145-L1173 HydrophobicContact CZ2-CD1 4.48Å; T1149-L1173 HydrophobicContact CG2-CD1 3.98Å; L1152-L1173 HydrophobicContact CD1-CB 4.27Å; L1152-L1173 HydrophobicContact CD1-CD1 4.42Å; A1169-L1173 PolarHBondContact O-N 2.88Å; A1169-L1173 VanDerWaalsContact O-N 3.09Å; T1170-L1173 PolarHBondContact O-N 3.39Å; L1173-M1176 PolarHBondContact O-N 3.32Å; L1173-A1177 PolarHBondContact O-N 2.92Å; L1173-L1194 HydrophobicContact CG-CD2 4.43Å; L1173-L1197 HydrophobicContact CD2-CD1 4.43Å; L1173-L1197 HydrophobicContact CD2-CD2 4.18Å; L1173-L1197 HydrophobicContact CD2-CG 4.29Å |
| 1174 | M | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 177.8 | -70.7 | -56.3 | -161 | 0 | 0 | 112.6 | F1014 T1170 V1171 G1172 M1176 A1177 V1178 L1194 L1197 I1212 L1216 I1219 | F1014-M1174 HydrophobicContact CE2-CB 3.76Å; F1014-M1174 HydrophobicContact CZ-CB 4.31Å; T1170-M1174 WeakPolarHBondContact O-CG 3.37Å; T1170-M1174 PolarHBondContact O-N 2.91Å; T1170-M1174 VanDerWaalsContact O-N 3.08Å; V1171-M1174 PolarHBondContact O-N 3.35Å; G1172-M1174 VanDerWaalsContact C-N 3.32Å; G1172-M1174 PolarHBondContact O-N 3.5Å; M1174-M1176 VanDerWaalsContact C-N 3.32Å; M1174-M1176 PolarHBondContact O-N 3.29Å; M1174-A1177 PolarHBondContact O-N 3.19Å; M1174-A1177 VanDerWaalsContact O-N 3.13Å; M1174-V1178 WeakPolarHBondContact O-CG2 3.12Å; M1174-V1178 PolarHBondContact O-N 3.47Å; M1174-L1194 HydrophobicContact CE-CD2 4.46Å; M1174-L1194 HydrophobicContact SD-CD2 3.77Å; M1174-L1197 HydrophobicContact CE-CD1 3.56Å; M1174-L1197 HydrophobicContact SD-CD1 4.45Å; M1174-I1212 HydrophobicContact CE-CB 4.27Å; M1174-I1212 HydrophobicContact CE-CG1 4.44Å; M1174-I1212 HydrophobicContact CE-CG2 3.64Å; M1174-L1216 HydrophobicContact CE-CD2 4.28Å; M1174-L1216 HydrophobicContact CE-CG 4.05Å; M1174-I1219 HydrophobicContact SD-CD1 3.46Å; M1174-I1219 WeakPolarHBondContact SD-CD1 3.47Å |
| 1175 | R | 93.8 | Very high | 91.4 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 175.8 | -70.9 | 165.8 | 64.1 | -153 | 3.4 | 111.4 | E1012 F1014 E1128 L1135 V1171 G1172 V1178 R1179 | E1012-R1175 IonicContact OE2-CZ 2.72Å; E1012-R1175 IonicContact OE2-NE 3.56Å; E1012-R1175 PolarHBondContact OE2-NE 2.85Å; E1012-R1175 IonicContact OE2-NH2 2.63Å; E1012-R1175 PolarHBondContact OE2-NH2 3.25Å; E1012-R1175 VanDerWaalsContact OE2-NH2 3.07Å; F1014-R1175 HydrophobicContact CE1-CG 4.29Å; F1014-R1175 HydrophobicContact CE2-CG 3.66Å; F1014-R1175 HydrophobicContact CZ-CB 4.26Å; F1014-R1175 HydrophobicContact CZ-CG 3.38Å; E1128-R1175 IonicContact OE1-NH1 2.96Å; E1128-R1175 IonicContact OE2-CZ 3.89Å; E1128-R1175 IonicContact OE2-NH1 3.31Å; E1128-R1175 PolarHBondContact OE2-NH1 2.86Å; L1135-R1175 HydrophobicContact CD1-CB 4.29Å; V1171-R1175 HydrophobicContact CG1-CG 4.17Å; V1171-R1175 WeakPolarHBondContact O-CB 3.41Å; V1171-R1175 VanDerWaalsContact O-CG 3.26Å; V1171-R1175 WeakPolarHBondContact O-CG 3.36Å; V1171-R1175 PolarHBondContact O-N 2.99Å; G1172-R1175 PolarHBondContact O-N 2.95Å; R1175-V1178 PolarHBondContact O-N 3.42Å; R1175-R1179 WeakPolarHBondContact O-CG 3.46Å; R1175-R1179 PolarHBondContact O-N 3.22Å |
| 1176 | M | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.8 | -72.5 | 168.7 | 60.8 | 0 | 0 | 111.6 | V1131 A1134 L1135 W1145 L1148 L1152 G1172 L1173 M1174 R1179 L1180 | V1131-M1176 HydrophobicContact CB-SD 4.32Å; V1131-M1176 HydrophobicContact CG1-CG 4.24Å; V1131-M1176 HydrophobicContact CG1-SD 4.31Å; V1131-M1176 HydrophobicContact CG2-SD 3.88Å; A1134-M1176 HydrophobicContact CB-CE 3.87Å; A1134-M1176 HydrophobicContact CB-SD 4.12Å; L1135-M1176 HydrophobicContact CD2-CG 4.1Å; L1135-M1176 HydrophobicContact CG-CG 4.28Å; W1145-M1176 HydrophobicContact CE3-CE 4.22Å; W1145-M1176 HydrophobicContact CH2-CB 4.23Å; W1145-M1176 HydrophobicContact CH2-CE 4.39Å; W1145-M1176 HydrophobicContact CZ3-CB 4.09Å; W1145-M1176 HydrophobicContact CZ3-CE 3.57Å; L1148-M1176 HydrophobicContact CB-CE 4.32Å; L1148-M1176 HydrophobicContact CD1-CE 4.13Å; L1152-M1176 HydrophobicContact CD1-SD 4.19Å; G1172-M1176 WeakPolarHBondContact O-CG 3.31Å; G1172-M1176 PolarHBondContact O-N 2.93Å; L1173-M1176 PolarHBondContact O-N 3.32Å; M1174-M1176 VanDerWaalsContact C-N 3.32Å; M1174-M1176 PolarHBondContact O-N 3.29Å; M1176-R1179 PolarHBondContact O-N 2.99Å; M1176-L1180 HydrophobicContact CB-CD1 4.24Å; M1176-L1180 VanDerWaalsContact O-CB 3.26Å; M1176-L1180 WeakPolarHBondContact O-CB 3.39Å; M1176-L1180 WeakPolarHBondContact O-CD1 3.43Å; M1176-L1180 WeakPolarHBondContact O-CG 3.45Å; M1176-L1180 PolarHBondContact O-N 2.94Å |
| 1177 | A | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1173 M1174 R1179 L1180 L1181 V1190 L1194 I1219 | L1173-A1177 PolarHBondContact O-N 2.92Å; M1174-A1177 PolarHBondContact O-N 3.19Å; M1174-A1177 VanDerWaalsContact O-N 3.13Å; A1177-R1179 PolarHBondContact O-N 3.45Å; A1177-R1179 VanDerWaalsContact O-N 3.12Å; A1177-L1180 PolarHBondContact O-N 3.45Å; A1177-L1181 WeakPolarHBondContact O-CD1 3.48Å; A1177-L1181 WeakPolarHBondContact O-CG 3.37Å; A1177-L1181 PolarHBondContact O-N 2.94Å; A1177-V1190 HydrophobicContact CB-CG1 3.8Å; A1177-L1194 HydrophobicContact CB-CD1 4.46Å; A1177-L1194 HydrophobicContact CB-CD2 4.13Å; A1177-I1219 HydrophobicContact CB-CD1 3.79Å; A1177-I1219 HydrophobicContact CB-CG1 4.26Å |
| 1178 | V | 92.9 | Very high | 91.5 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 9% | 0.085 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -52.2 | -37.4 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | F1014 M1174 R1175 D1218 I1219 N1223 | F1014-V1178 HydrophobicContact CE1-CG2 4.45Å; F1014-V1178 HydrophobicContact CZ-CG2 4.26Å; M1174-V1178 WeakPolarHBondContact O-CG2 3.12Å; M1174-V1178 PolarHBondContact O-N 3.47Å; R1175-V1178 PolarHBondContact O-N 3.42Å; V1178-D1218 HydrophobicContact CG2-CB 4.21Å; V1178-I1219 HydrophobicContact CG2-CB 4.45Å; V1178-I1219 HydrophobicContact CG2-CG1 3.55Å; V1178-N1223 PolarHBondContact O-ND2 3.01Å |
| 1179 | R | 92.1 | Very high | 91.3 | Very high | 122 Ų | 122 | 35.7 Ų | 35.7 | 46% | 0.46 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -94.2 | -17.3 | -175.2 | -54.5 | -59.7 | -177.2 | 104.9 | 8.4 | 114.6 | E1012 L1135 R1175 M1176 A1177 | E1012-R1179 IonicContact OE1-NH2 3.76Å; E1012-R1179 PolarHBondContact OE1-NH2 3.29Å; L1135-R1179 HydrophobicContact CD2-CB 3.84Å; L1135-R1179 HydrophobicContact CD2-CG 3.75Å; R1175-R1179 WeakPolarHBondContact O-CG 3.46Å; R1175-R1179 PolarHBondContact O-N 3.22Å; M1176-R1179 PolarHBondContact O-N 2.99Å; A1177-R1179 PolarHBondContact O-N 3.45Å; A1177-R1179 VanDerWaalsContact O-N 3.12Å |
| 1180 | L | 92 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -102.7 | -24.1 | -174.3 | -68.5 | 171.3 | 0 | 0 | 0 | 114.8 | R1138 I1141 W1145 M1176 A1177 V1182 R1183 V1186 V1190 | R1138-L1180 HydrophobicContact CB-CD2 3.73Å; R1138-L1180 WeakPolarHBondContact O-CD2 3.36Å; I1141-L1180 HydrophobicContact CG2-CD1 3.9Å; I1141-L1180 HydrophobicContact CG2-CD2 3.67Å; I1141-L1180 HydrophobicContact CG2-CG 4.46Å; W1145-L1180 HydrophobicContact CE3-CD1 3.78Å; W1145-L1180 HydrophobicContact CH2-CD1 4.15Å; W1145-L1180 HydrophobicContact CZ3-CD1 3.32Å; M1176-L1180 HydrophobicContact CB-CD1 4.24Å; M1176-L1180 VanDerWaalsContact O-CB 3.26Å; M1176-L1180 WeakPolarHBondContact O-CB 3.39Å; M1176-L1180 WeakPolarHBondContact O-CD1 3.43Å; M1176-L1180 WeakPolarHBondContact O-CG 3.45Å; M1176-L1180 PolarHBondContact O-N 2.94Å; A1177-L1180 PolarHBondContact O-N 3.45Å; L1180-V1182 PolarHBondContact O-N 2.84Å; L1180-V1182 VanDerWaalsContact O-N 3.08Å; L1180-R1183 WeakPolarHBondContact O-CB 3.41Å; L1180-R1183 PolarHBondContact O-N 2.99Å; L1180-V1186 HydrophobicContact CB-CG2 4.37Å; L1180-V1190 HydrophobicContact CB-CG2 4.11Å |
| 1181 | L | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.5 | -177 | -75.1 | 169 | 0 | 0 | 0 | 114.8 | A1177 R1183 R1187 V1190 L1191 I1219 N1223 | A1177-L1181 WeakPolarHBondContact O-CD1 3.48Å; A1177-L1181 WeakPolarHBondContact O-CG 3.37Å; A1177-L1181 PolarHBondContact O-N 2.94Å; L1181-R1183 PolarHBondContact O-N 2.93Å; L1181-R1187 HydrophobicContact CD2-CG 4.08Å; L1181-R1187 WeakPolarHBondContact O-CG 3.36Å; L1181-R1187 PolarHBondContact O-NE 3.3Å; L1181-V1190 HydrophobicContact CD2-CB 4Å; L1181-V1190 HydrophobicContact CD2-CG1 3.6Å; L1181-V1190 HydrophobicContact CG-CG1 3.87Å; L1181-L1191 HydrophobicContact CD1-CD2 4.38Å; L1181-L1191 HydrophobicContact CD2-CD1 3.94Å; L1181-L1191 HydrophobicContact CD2-CD2 3.53Å; L1181-L1191 HydrophobicContact CD2-CG 3.4Å; L1181-L1191 VanDerWaalsContact CD2-CG 3.4Å; L1181-I1219 HydrophobicContact CD1-CG1 4.46Å; L1181-I1219 HydrophobicContact CD1-CG2 3.6Å; L1181-N1223 HydrophobicContact CB-CB 3.82Å; L1181-N1223 WeakPolarHBondContact CB-OD1 3.36Å; L1181-N1223 HydrophobicContact CD1-CB 4.06Å |
| 1182 | V | 88.9 | Confident | 91.2 | Very high | 72 Ų | 72 | 38.1 Ų | 38.1 | 44% | 0.436 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -37.1 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | L1180 R1187 N1223 | L1180-V1182 PolarHBondContact O-N 2.84Å; L1180-V1182 VanDerWaalsContact O-N 3.08Å; V1182-R1187 PolarHBondContact O-NH2 3.08Å; V1182-N1223 WeakPolarHBondContact CG2-OD1 3.45Å; V1182-N1223 PolarHBondContact N-OD1 3.13Å |
| 1183 | R | 88.1 | Confident | 91.1 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | trans | -83.3 | 117.2 | -171.8 | -62.8 | -170 | 69.1 | -160.3 | 8 | 113.3 | R1138 D1139 L1180 L1181 E1185 V1186 R1187 | R1138-R1183 VanDerWaalsContact O-CD 3.24Å; R1138-R1183 WeakPolarHBondContact O-CD 3.4Å; R1138-R1183 PolarHBondContact O-NH1 2.94Å; D1139-R1183 VanDerWaalsContact CA-CZ 3.49Å; D1139-R1183 PolarHBondContact O-NH1 3.42Å; D1139-R1183 PolarHBondContact O-NH2 3Å; L1180-R1183 WeakPolarHBondContact O-CB 3.41Å; L1180-R1183 PolarHBondContact O-N 2.99Å; L1181-R1183 PolarHBondContact O-N 2.93Å; R1183-E1185 VanDerWaalsContact C-N 3.27Å; R1183-E1185 IonicContact CZ-OE2 2.66Å; R1183-E1185 VanDerWaalsContact CZ-OE2 3.26Å; R1183-E1185 IonicContact NE-OE2 3.51Å; R1183-E1185 IonicContact NH2-OE2 2.73Å; R1183-E1185 PolarHBondContact NH2-OE2 3.27Å; R1183-E1185 PolarHBondContact O-N 2.86Å; R1183-V1186 HydrophobicContact CB-CG2 3.93Å; R1183-V1186 PolarHBondContact O-N 3.05Å; R1183-R1187 WeakPolarHBondContact O-CB 3.45Å; R1183-R1187 PolarHBondContact O-N 3.17Å | ||
| 1184 | D | 84.3 | Confident | 91 | Very high | 116 Ų | 116 | 38.1 Ų | 38.1 | 62% | 0.62 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -53.7 | -38 | 179.8 | -62.5 | -86.8 | 0 | 0 | 0 | 114.4 | V1186 R1187 | D1184-V1186 VanDerWaalsContact C-N 3.3Å; D1184-V1186 PolarHBondContact O-N 3.47Å; D1184-R1187 IonicContact OD1-CZ 2.69Å; D1184-R1187 VanDerWaalsContact OD1-CZ 3.22Å; D1184-R1187 IonicContact OD1-NH1 3.33Å; D1184-R1187 PolarHBondContact OD1-NH1 2.95Å; D1184-R1187 IonicContact OD1-NH2 2.82Å; D1184-R1187 PolarHBondContact OD1-NH2 3.43Å; D1184-R1187 IonicContact OD2-NH2 2.73Å; D1184-R1187 PolarHBondContact OD2-NH2 2.77Å |
| 1185 | E | 86.2 | Confident | 90.8 | Very high | 149 Ų | 149 | 45.6 Ų | 45.6 | 70% | 0.696 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.3 | -28 | -174.9 | -62.5 | 170.5 | 146.1 | 0 | 0 | 114.7 | R1183 | R1183-E1185 VanDerWaalsContact C-N 3.27Å; R1183-E1185 IonicContact CZ-OE2 2.66Å; R1183-E1185 VanDerWaalsContact CZ-OE2 3.26Å; R1183-E1185 IonicContact NE-OE2 3.51Å; R1183-E1185 IonicContact NH2-OE2 2.73Å; R1183-E1185 PolarHBondContact NH2-OE2 3.27Å; R1183-E1185 PolarHBondContact O-N 2.86Å |
| 1186 | V | 89.5 | Confident | 90.3 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -121.1 | -14.3 | -175.2 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | L1180 R1183 D1184 D1188 D1189 V1190 | L1180-V1186 HydrophobicContact CB-CG2 4.37Å; R1183-V1186 HydrophobicContact CB-CG2 3.93Å; R1183-V1186 PolarHBondContact O-N 3.05Å; D1184-V1186 VanDerWaalsContact C-N 3.3Å; D1184-V1186 PolarHBondContact O-N 3.47Å; V1186-D1188 VanDerWaalsContact C-N 3.25Å; V1186-D1188 PolarHBondContact O-N 2.86Å; V1186-D1188 VanDerWaalsContact O-N 3.13Å; V1186-D1189 PolarHBondContact O-N 3.39Å; V1186-D1189 VanDerWaalsContact O-N 3.12Å; V1186-V1190 HydrophobicContact CB-CG2 4.21Å; V1186-V1190 HydrophobicContact CG2-CG2 4.21Å; V1186-V1190 VanDerWaalsContact O-CG2 3.24Å; V1186-V1190 WeakPolarHBondContact O-CG2 3.47Å; V1186-V1190 PolarHBondContact O-N 2.86Å |
| 1187 | R | 91.8 | Very high | 90 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -49.1 | -44.2 | -173.6 | -176.4 | -174.4 | -55.1 | 130.8 | -1.4 | 113.6 | L1181 V1182 R1183 D1184 V1190 L1191 H1226 | L1181-R1187 HydrophobicContact CD2-CG 4.08Å; L1181-R1187 WeakPolarHBondContact O-CG 3.36Å; L1181-R1187 PolarHBondContact O-NE 3.3Å; V1182-R1187 PolarHBondContact O-NH2 3.08Å; R1183-R1187 WeakPolarHBondContact O-CB 3.45Å; R1183-R1187 PolarHBondContact O-N 3.17Å; D1184-R1187 IonicContact OD1-CZ 2.69Å; D1184-R1187 VanDerWaalsContact OD1-CZ 3.22Å; D1184-R1187 IonicContact OD1-NH1 3.33Å; D1184-R1187 PolarHBondContact OD1-NH1 2.95Å; D1184-R1187 IonicContact OD1-NH2 2.82Å; D1184-R1187 PolarHBondContact OD1-NH2 3.43Å; D1184-R1187 IonicContact OD2-NH2 2.73Å; D1184-R1187 PolarHBondContact OD2-NH2 2.77Å; R1187-V1190 PolarHBondContact O-N 3.15Å; R1187-L1191 HydrophobicContact CG-CD1 3.82Å; R1187-L1191 VanDerWaalsContact O-CG 3.3Å; R1187-L1191 WeakPolarHBondContact O-CG 3.38Å; R1187-L1191 PolarHBondContact O-N 3.45Å; R1187-H1226 VanDerWaalsContact CD-O 3.22Å; R1187-H1226 WeakPolarHBondContact CD-O 3.2Å |
| 1188 | D | 91.1 | Very high | 89.5 | Confident | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.2 | -45.1 | -177 | -74.7 | 4.2 | 0 | 0 | 0 | 111.8 | V1186 V1190 L1191 A1192 K1229 H1232 | V1186-D1188 VanDerWaalsContact C-N 3.25Å; V1186-D1188 PolarHBondContact O-N 2.86Å; V1186-D1188 VanDerWaalsContact O-N 3.13Å; D1188-V1190 VanDerWaalsContact C-N 3.31Å; D1188-V1190 PolarHBondContact O-N 3.14Å; D1188-L1191 PolarHBondContact O-N 3.41Å; D1188-A1192 VanDerWaalsContact O-CB 3.31Å; D1188-A1192 WeakPolarHBondContact O-CB 3.5Å; D1188-A1192 PolarHBondContact O-N 2.89Å; D1188-K1229 IonicContact OD2-NZ 3.86Å; D1188-K1229 PolarHBondContact OD2-NZ 2.73Å; D1188-H1232 IonicContact OD1-CE1 2.67Å; D1188-H1232 PolarHBondContact OD1-CE1 2.98Å; D1188-H1232 VanDerWaalsContact OD1-CE1 3.31Å; D1188-H1232 IonicContact OD1-ND1 2.73Å |
| 1189 | D | 90.5 | Very high | 88.9 | Confident | 101 Ų | 101 | 51.9 Ų | 51.9 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.6 | -30.3 | 175.1 | -69.6 | -45.6 | 0 | 0 | 0 | 112.3 | W1145 V1186 S1193 | W1145-D1189 VanDerWaalsContact NE1-C 3.32Å; W1145-D1189 PolarHBondContact NE1-O 2.9Å; W1145-D1189 VanDerWaalsContact NE1-O 3.13Å; V1186-D1189 PolarHBondContact O-N 3.39Å; V1186-D1189 VanDerWaalsContact O-N 3.12Å; D1189-S1193 WeakPolarHBondContact O-CB 3.43Å; D1189-S1193 PolarHBondContact O-N 2.93Å |
| 1190 | V | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -51 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | W1145 A1177 L1180 L1181 V1186 R1187 D1188 A1192 S1193 L1194 | W1145-V1190 HydrophobicContact CD2-CG2 4.07Å; W1145-V1190 HydrophobicContact CE3-CG2 4.39Å; W1145-V1190 HydrophobicContact CH2-CG1 4.28Å; W1145-V1190 HydrophobicContact CH2-CG2 3.93Å; W1145-V1190 HydrophobicContact CZ2-CB 3.92Å; W1145-V1190 HydrophobicContact CZ2-CG1 4.02Å; W1145-V1190 HydrophobicContact CZ2-CG2 3.55Å; W1145-V1190 HydrophobicContact CZ3-CG2 4.32Å; A1177-V1190 HydrophobicContact CB-CG1 3.8Å; L1180-V1190 HydrophobicContact CB-CG2 4.11Å; L1181-V1190 HydrophobicContact CD2-CB 4Å; L1181-V1190 HydrophobicContact CD2-CG1 3.6Å; L1181-V1190 HydrophobicContact CG-CG1 3.87Å; V1186-V1190 HydrophobicContact CB-CG2 4.21Å; V1186-V1190 HydrophobicContact CG2-CG2 4.21Å; V1186-V1190 VanDerWaalsContact O-CG2 3.24Å; V1186-V1190 WeakPolarHBondContact O-CG2 3.47Å; V1186-V1190 PolarHBondContact O-N 2.86Å; R1187-V1190 PolarHBondContact O-N 3.15Å; D1188-V1190 VanDerWaalsContact C-N 3.31Å; D1188-V1190 PolarHBondContact O-N 3.14Å; V1190-A1192 VanDerWaalsContact C-N 3.34Å; V1190-A1192 PolarHBondContact O-N 2.92Å; V1190-S1193 PolarHBondContact O-N 2.9Å; V1190-S1193 PolarHBondContact O-OG 3.06Å; V1190-L1194 PolarHBondContact O-N 3.34Å |
| 1191 | L | 92.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 178.6 | -69.6 | 163 | 0 | 0 | 0 | 112.1 | L1181 R1187 D1188 L1194 V1227 H1232 L1236 | L1181-L1191 HydrophobicContact CD1-CD2 4.38Å; L1181-L1191 HydrophobicContact CD2-CD1 3.94Å; L1181-L1191 HydrophobicContact CD2-CD2 3.53Å; L1181-L1191 HydrophobicContact CD2-CG 3.4Å; L1181-L1191 VanDerWaalsContact CD2-CG 3.4Å; R1187-L1191 HydrophobicContact CG-CD1 3.82Å; R1187-L1191 VanDerWaalsContact O-CG 3.3Å; R1187-L1191 WeakPolarHBondContact O-CG 3.38Å; R1187-L1191 PolarHBondContact O-N 3.45Å; D1188-L1191 PolarHBondContact O-N 3.41Å; L1191-L1194 PolarHBondContact O-N 3.38Å; L1191-V1227 HydrophobicContact CD1-CG1 4.33Å; L1191-V1227 HydrophobicContact CD1-CG2 4.31Å; L1191-V1227 HydrophobicContact CD2-CG2 4.22Å; L1191-H1232 HydrophobicContact CB-CB 4Å; L1191-H1232 HydrophobicContact CD1-CB 3.77Å; L1191-H1232 WeakPolarHBondContact CD1-ND1 3.31Å; L1191-H1232 HydrophobicContact CD2-CB 4.43Å; L1191-H1232 HydrophobicContact CG-CB 4.24Å; L1191-L1236 HydrophobicContact CD2-CD1 4Å; L1191-L1236 HydrophobicContact CD2-CD2 4.46Å; L1191-L1236 HydrophobicContact CD2-CG 4.42Å |
| 1192 | A | 90.2 | Very high | 87.2 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1188 V1190 L1194 R1195 | D1188-A1192 VanDerWaalsContact O-CB 3.31Å; D1188-A1192 WeakPolarHBondContact O-CB 3.5Å; D1188-A1192 PolarHBondContact O-N 2.89Å; V1190-A1192 VanDerWaalsContact C-N 3.34Å; V1190-A1192 PolarHBondContact O-N 2.92Å; A1192-L1194 VanDerWaalsContact C-N 3.32Å; A1192-L1194 PolarHBondContact O-N 3.37Å; A1192-R1195 VanDerWaalsContact O-CB 3.32Å; A1192-R1195 WeakPolarHBondContact O-CB 3.44Å; A1192-R1195 PolarHBondContact O-N 3.38Å |
| 1193 | S | 91.3 | Very high | 86.7 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -33 | -179.5 | 76.9 | 0 | 0 | 0 | 0 | 113.6 | W1145 D1189 V1190 R1195 L1196 | W1145-S1193 WeakPolarHBondContact CZ2-OG 3.21Å; D1189-S1193 WeakPolarHBondContact O-CB 3.43Å; D1189-S1193 PolarHBondContact O-N 2.93Å; V1190-S1193 PolarHBondContact O-N 2.9Å; V1190-S1193 PolarHBondContact O-OG 3.06Å; S1193-R1195 PolarHBondContact O-N 2.99Å; S1193-L1196 VanDerWaalsContact O-CB 3.25Å; S1193-L1196 WeakPolarHBondContact O-CB 3.37Å; S1193-L1196 VanDerWaalsContact O-CG 3.32Å; S1193-L1196 WeakPolarHBondContact O-CG 3.44Å; S1193-L1196 PolarHBondContact O-N 3.11Å |
| 1194 | L | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -26.7 | 178.7 | -64.7 | 176.7 | 0 | 0 | 0 | 112.2 | L1173 M1174 A1177 V1190 L1191 A1192 L1196 L1197 I1219 I1235 L1236 L1239 | L1173-L1194 HydrophobicContact CG-CD2 4.43Å; M1174-L1194 HydrophobicContact CE-CD2 4.46Å; M1174-L1194 HydrophobicContact SD-CD2 3.77Å; A1177-L1194 HydrophobicContact CB-CD1 4.46Å; A1177-L1194 HydrophobicContact CB-CD2 4.13Å; V1190-L1194 PolarHBondContact O-N 3.34Å; L1191-L1194 PolarHBondContact O-N 3.38Å; A1192-L1194 VanDerWaalsContact C-N 3.32Å; A1192-L1194 PolarHBondContact O-N 3.37Å; L1194-L1196 PolarHBondContact O-N 2.94Å; L1194-L1197 WeakPolarHBondContact O-CB 3.31Å; L1194-L1197 PolarHBondContact O-N 3.19Å; L1194-L1197 VanDerWaalsContact O-N 3.12Å; L1194-I1219 HydrophobicContact CD1-CD1 4Å; L1194-I1219 HydrophobicContact CD2-CD1 4.43Å; L1194-I1235 HydrophobicContact CB-CG2 4.37Å; L1194-L1236 HydrophobicContact CD1-CD2 3.92Å; L1194-L1239 HydrophobicContact CB-CD1 3.9Å |
| 1195 | R | 88.8 | Confident | 86.4 | Confident | 157 Ų | 157 | 44.1 Ų | 44.1 | 59% | 0.592 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -61.1 | -25.8 | 174.9 | -167.3 | 178.3 | 177.1 | -176 | -3.2 | 112.7 | A1192 S1193 L1197 Q1198 I1235 | A1192-R1195 VanDerWaalsContact O-CB 3.32Å; A1192-R1195 WeakPolarHBondContact O-CB 3.44Å; A1192-R1195 PolarHBondContact O-N 3.38Å; S1193-R1195 PolarHBondContact O-N 2.99Å; R1195-L1197 PolarHBondContact O-N 3.36Å; R1195-Q1198 VanDerWaalsContact O-CB 3.32Å; R1195-Q1198 WeakPolarHBondContact O-CB 3.42Å; R1195-Q1198 PolarHBondContact O-N 3.11Å; R1195-I1235 HydrophobicContact CB-CD1 4.07Å; R1195-I1235 HydrophobicContact CB-CG1 4.13Å; R1195-I1235 HydrophobicContact CB-CG2 4.01Å; R1195-I1235 HydrophobicContact CG-CG1 4.24Å |
| 1196 | L | 84.4 | Confident | 86.2 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 34% | 0.335 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -62.2 | -26.1 | 176.7 | -60 | 173.5 | 0 | 0 | 0 | 112.1 | F1153 S1193 L1194 Q1198 T1199 | F1153-L1196 HydrophobicContact CB-CD1 4.24Å; F1153-L1196 HydrophobicContact CD2-CB 3.66Å; F1153-L1196 HydrophobicContact CD2-CD1 4.45Å; F1153-L1196 HydrophobicContact CE2-CB 3.84Å; F1153-L1196 VanDerWaalsContact CE2-O 3.23Å; F1153-L1196 WeakPolarHBondContact CE2-O 3.43Å; F1153-L1196 HydrophobicContact CG-CB 4.17Å; F1153-L1196 HydrophobicContact CG-CD1 4.14Å; F1153-L1196 HydrophobicContact CZ-CB 4.46Å; S1193-L1196 VanDerWaalsContact O-CB 3.25Å; S1193-L1196 WeakPolarHBondContact O-CB 3.37Å; S1193-L1196 VanDerWaalsContact O-CG 3.32Å; S1193-L1196 WeakPolarHBondContact O-CG 3.44Å; S1193-L1196 PolarHBondContact O-N 3.11Å; L1194-L1196 PolarHBondContact O-N 2.94Å; L1196-Q1198 PolarHBondContact O-N 3.03Å; L1196-T1199 PolarHBondContact O-N 2.89Å; L1196-T1199 PolarHBondContact O-OG1 3.05Å |
| 1197 | L | 86.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -64.6 | -24.9 | 174.4 | -61.2 | 175.6 | 0 | 0 | 0 | 112.5 | I1156 T1170 L1173 M1174 L1194 R1195 T1199 M1200 L1205 L1239 | I1156-L1197 HydrophobicContact CD1-CD2 4.2Å; T1170-L1197 HydrophobicContact CG2-CD2 4.16Å; L1173-L1197 HydrophobicContact CD2-CD1 4.43Å; L1173-L1197 HydrophobicContact CD2-CD2 4.18Å; L1173-L1197 HydrophobicContact CD2-CG 4.29Å; M1174-L1197 HydrophobicContact CE-CD1 3.56Å; M1174-L1197 HydrophobicContact SD-CD1 4.45Å; L1194-L1197 WeakPolarHBondContact O-CB 3.31Å; L1194-L1197 PolarHBondContact O-N 3.19Å; L1194-L1197 VanDerWaalsContact O-N 3.12Å; R1195-L1197 PolarHBondContact O-N 3.36Å; L1197-T1199 PolarHBondContact O-N 3.35Å; L1197-M1200 HydrophobicContact CD2-SD 3.93Å; L1197-M1200 WeakPolarHBondContact O-CB 3.32Å; L1197-M1200 WeakPolarHBondContact O-CG 3.22Å; L1197-M1200 PolarHBondContact O-N 3.36Å; L1197-L1205 WeakPolarHBondContact O-CD1 3.43Å; L1197-L1239 HydrophobicContact CB-CD2 4.05Å |
| 1198 | Q | 82.5 | Confident | 85.6 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -72 | -10.8 | 173.7 | -57.8 | 176.3 | -5.8 | 0 | 0 | 113 | R1195 L1196 I1235 S1238 L1239 | R1195-Q1198 VanDerWaalsContact O-CB 3.32Å; R1195-Q1198 WeakPolarHBondContact O-CB 3.42Å; R1195-Q1198 PolarHBondContact O-N 3.11Å; L1196-Q1198 PolarHBondContact O-N 3.03Å; Q1198-I1235 PolarHBondContact NE2-O 3.2Å; Q1198-S1238 PolarHBondContact NE2-OG 3.03Å; Q1198-L1239 HydrophobicContact CG-CD2 3.64Å; Q1198-L1239 HydrophobicContact CG-CG 4.17Å |
| 1199 | T | 80.9 | Confident | 85.5 | Confident | 75 Ų | 75 | 38.4 Ų | 38.4 | 46% | 0.46 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -97.7 | 13 | 175.5 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | F1153 L1196 L1197 W1252 | F1153-T1199 WeakPolarHBondContact CZ-OG1 3.28Å; L1196-T1199 PolarHBondContact O-N 2.89Å; L1196-T1199 PolarHBondContact O-OG1 3.05Å; L1197-T1199 PolarHBondContact O-N 3.35Å; T1199-W1252 WeakPolarHBondContact O-CH2 3.41Å |
| 1200 | M | 80.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -79.1 | 147.4 | 168.6 | -65.3 | 178.7 | 65.7 | 0 | 0 | 112.1 | I1156 T1166 L1197 L1205 M1208 W1252 | I1156-M1200 HydrophobicContact CG2-CE 3.62Å; I1156-M1200 HydrophobicContact CG2-CG 3.71Å; I1156-M1200 HydrophobicContact CG2-SD 3.48Å; I1156-M1200 WeakPolarHBondContact CG2-SD 3.3Å; T1166-M1200 HydrophobicContact CG2-CE 3.9Å; L1197-M1200 HydrophobicContact CD2-SD 3.93Å; L1197-M1200 WeakPolarHBondContact O-CB 3.32Å; L1197-M1200 WeakPolarHBondContact O-CG 3.22Å; L1197-M1200 PolarHBondContact O-N 3.36Å; M1200-L1205 HydrophobicContact CB-CB 4.22Å; M1200-L1205 HydrophobicContact CB-CD1 4.48Å; M1200-M1208 HydrophobicContact CE-CG 4.15Å; M1200-W1252 VanDerWaalsContact O-CH2 3.29Å; M1200-W1252 WeakPolarHBondContact O-CH2 3.21Å; M1200-W1252 WeakPolarHBondContact O-CZ3 3.2Å |
| 1201 | K | 79.9 | Confident | 85.4 | Confident | 103 Ų | 103 | 38.4 Ų | 38.4 | 45% | 0.448 | 20% | 0.204 | S | C | . | . | trans | -54 | 133.5 | 171.2 | -65.4 | 174.2 | -177 | 166.6 | 0 | 110.4 | A1203 S1204 L1205 W1252 | K1201-A1203 VanDerWaalsContact C-N 3.25Å; K1201-A1203 PolarHBondContact O-N 3.3Å; K1201-A1203 VanDerWaalsContact O-N 3.1Å; K1201-S1204 PolarHBondContact O-N 3.34Å; K1201-L1205 PolarHBondContact O-N 3.47Å; K1201-W1252 HydrophobicContact CB-CZ2 4.48Å; K1201-W1252 HydrophobicContact CG-CZ2 4.35Å | ||
| 1202 | P | 78.5 | Confident | 85.4 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -51.2 | -36.5 | -179.1 | -34.4 | 36.6 | 0 | 0 | 0 | 115.6 | L1206 F1248 W1252 | P1202-L1206 VanDerWaalsContact O-CB 3.29Å; P1202-L1206 WeakPolarHBondContact O-CB 3.47Å; P1202-L1206 PolarHBondContact O-N 2.94Å; P1202-F1248 HydrophobicContact CB-CD1 3.94Å; P1202-F1248 HydrophobicContact CB-CD2 4.47Å; P1202-F1248 HydrophobicContact CB-CE1 3.57Å; P1202-F1248 HydrophobicContact CB-CE2 4.15Å; P1202-F1248 HydrophobicContact CB-CG 4.39Å; P1202-F1248 HydrophobicContact CB-CZ 3.69Å; P1202-F1248 HydrophobicContact CG-CD1 3.87Å; P1202-F1248 HydrophobicContact CG-CE1 3.97Å; P1202-F1248 HydrophobicContact CG-CG 4.34Å; P1202-W1252 VanDerWaalsContact CD-NE1 3.3Å; P1202-W1252 HydrophobicContact CG-CD2 3.97Å; P1202-W1252 HydrophobicContact CG-CG 3.89Å |
| 1203 | A | 78.3 | Confident | 85.6 | Confident | 65 Ų | 65 | 36 Ų | 36 | 54% | 0.537 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.8 | -49.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K1201 L1206 V1207 | K1201-A1203 VanDerWaalsContact C-N 3.25Å; K1201-A1203 PolarHBondContact O-N 3.3Å; K1201-A1203 VanDerWaalsContact O-N 3.1Å; A1203-L1206 PolarHBondContact O-N 3.34Å; A1203-V1207 WeakPolarHBondContact O-CG2 3.29Å; A1203-V1207 PolarHBondContact O-N 3.06Å; A1203-V1207 VanDerWaalsContact O-N 3.08Å |
| 1204 | S | 81.5 | Confident | 85.7 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 12% | 0.119 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.3 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | S1160 K1201 V1207 M1208 | S1160-S1204 PolarHBondContact O-OG 2.76Å; K1201-S1204 PolarHBondContact O-N 3.34Å; S1204-V1207 PolarHBondContact O-N 2.8Å; S1204-M1208 VanDerWaalsContact O-CG 3.23Å; S1204-M1208 WeakPolarHBondContact O-CG 3.3Å; S1204-M1208 PolarHBondContact O-N 3.41Å; S1204-M1208 VanDerWaalsContact O-N 3.1Å |
| 1205 | L | 85.2 | Confident | 85.8 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 175.8 | -169.6 | 157.6 | 0 | 0 | 0 | 111.4 | L1197 M1200 K1201 M1208 A1209 V1243 F1248 | L1197-L1205 WeakPolarHBondContact O-CD1 3.43Å; M1200-L1205 HydrophobicContact CB-CB 4.22Å; M1200-L1205 HydrophobicContact CB-CD1 4.48Å; K1201-L1205 PolarHBondContact O-N 3.47Å; L1205-M1208 CarbonylContact O-C 3.59Å; L1205-M1208 PolarHBondContact O-N 3.13Å; L1205-A1209 WeakPolarHBondContact O-CA 3.4Å; L1205-A1209 PolarHBondContact O-N 2.89Å; L1205-V1243 HydrophobicContact CD2-CG1 3.76Å; L1205-F1248 HydrophobicContact CB-CE1 4.32Å; L1205-F1248 HydrophobicContact CD1-CE1 4.13Å; L1205-F1248 HydrophobicContact CD2-CE1 3.84Å; L1205-F1248 HydrophobicContact CD2-CZ 4.18Å; L1205-F1248 HydrophobicContact CG-CE1 4.33Å |
| 1206 | L | 82.4 | Confident | 86 | Confident | 55 Ų | 55 | 30.2 Ų | 30.2 | 29% | 0.288 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 175.4 | -178.6 | 62.5 | 0 | 0 | 0 | 112.2 | P1202 A1203 M1208 A1209 S1348 | P1202-L1206 VanDerWaalsContact O-CB 3.29Å; P1202-L1206 WeakPolarHBondContact O-CB 3.47Å; P1202-L1206 PolarHBondContact O-N 2.94Å; A1203-L1206 PolarHBondContact O-N 3.34Å; L1206-M1208 PolarHBondContact O-N 3.11Å; L1206-A1209 VanDerWaalsContact O-CB 3.23Å; L1206-A1209 WeakPolarHBondContact O-CB 3.27Å; L1206-A1209 PolarHBondContact O-N 3.37Å; L1206-S1348 VanDerWaalsContact CD1-O 3.32Å; L1206-S1348 WeakPolarHBondContact CD1-O 3.47Å |
| 1207 | V | 81.4 | Confident | 86.5 | Confident | 60 Ų | 60 | 27.8 Ų | 27.8 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.7 | -28 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | R1163 A1203 S1204 | R1163-V1207 HydrophobicContact CG-CG1 3.86Å; A1203-V1207 WeakPolarHBondContact O-CG2 3.29Å; A1203-V1207 PolarHBondContact O-N 3.06Å; A1203-V1207 VanDerWaalsContact O-N 3.08Å; S1204-V1207 PolarHBondContact O-N 2.8Å |
| 1208 | M | 86.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.2 | 176.1 | -60.9 | -68.2 | 94.1 | 0 | 0 | 114.1 | R1163 T1166 E1167 M1200 S1204 L1205 L1206 R1210 Q1211 I1212 | R1163-M1208 HydrophobicContact CG-CE 3.93Å; T1166-M1208 HydrophobicContact CG2-CG 4.18Å; T1166-M1208 HydrophobicContact CG2-SD 4.1Å; E1167-M1208 WeakPolarHBondContact CA-SD 3.43Å; E1167-M1208 HydrophobicContact CB-CE 3.8Å; E1167-M1208 HydrophobicContact CB-SD 3.69Å; E1167-M1208 HydrophobicContact CG-CE 3.76Å; E1167-M1208 HydrophobicContact CG-SD 3.82Å; M1200-M1208 HydrophobicContact CE-CG 4.15Å; S1204-M1208 VanDerWaalsContact O-CG 3.23Å; S1204-M1208 WeakPolarHBondContact O-CG 3.3Å; S1204-M1208 PolarHBondContact O-N 3.41Å; S1204-M1208 VanDerWaalsContact O-N 3.1Å; L1205-M1208 CarbonylContact O-C 3.59Å; L1205-M1208 PolarHBondContact O-N 3.13Å; L1206-M1208 PolarHBondContact O-N 3.11Å; M1208-R1210 PolarHBondContact O-N 3.21Å; M1208-R1210 VanDerWaalsContact O-N 3.1Å; M1208-Q1211 PolarHBondContact O-N 3.48Å; M1208-I1212 HydrophobicContact CB-CD1 3.84Å; M1208-I1212 HydrophobicContact CB-CG1 4.36Å; M1208-I1212 WeakPolarHBondContact O-CG1 3.3Å; M1208-I1212 PolarHBondContact O-N 3.25Å |
| 1209 | A | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58 | -33.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1205 L1206 A1213 V1243 D1350 A1353 | L1205-A1209 WeakPolarHBondContact O-CA 3.4Å; L1205-A1209 PolarHBondContact O-N 2.89Å; L1206-A1209 VanDerWaalsContact O-CB 3.23Å; L1206-A1209 WeakPolarHBondContact O-CB 3.27Å; L1206-A1209 PolarHBondContact O-N 3.37Å; A1209-A1213 WeakPolarHBondContact O-CB 3.44Å; A1209-A1213 PolarHBondContact O-N 3.45Å; A1209-V1243 HydrophobicContact CB-CB 3.99Å; A1209-V1243 HydrophobicContact CB-CG1 4.49Å; A1209-D1350 HydrophobicContact CB-CB 4.47Å; A1209-A1353 HydrophobicContact CB-CB 4.09Å |
| 1210 | R | 89.7 | Confident | 87.9 | Confident | 83 Ų | 83 | 25 Ų | 25 | 31% | 0.313 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -68.3 | -52.1 | 178.8 | -164.2 | -179.9 | -58.6 | 169.8 | 6.2 | 112 | A1015 M1208 I1212 A1213 F1214 D1350 Q1352 | A1015-R1210 HydrophobicContact CB-CG 4.26Å; M1208-R1210 PolarHBondContact O-N 3.21Å; M1208-R1210 VanDerWaalsContact O-N 3.1Å; R1210-I1212 VanDerWaalsContact C-N 3.27Å; R1210-I1212 PolarHBondContact O-N 3.41Å; R1210-A1213 PolarHBondContact O-N 2.76Å; R1210-F1214 HydrophobicContact CG-CD2 3.99Å; R1210-F1214 HydrophobicContact CG-CE2 3.79Å; R1210-F1214 WeakPolarHBondContact O-CD2 3.34Å; R1210-F1214 PolarHBondContact O-N 3.32Å; R1210-D1350 IonicContact CZ-OD1 3.44Å; R1210-D1350 IonicContact CZ-OD2 3.22Å; R1210-D1350 IonicContact NE-OD1 2.7Å; R1210-D1350 PolarHBondContact NE-OD1 2.88Å; R1210-D1350 VanDerWaalsContact NE-OD1 3.16Å; R1210-D1350 IonicContact NE-OD2 3.32Å; R1210-D1350 IonicContact NH2-OD1 3.33Å; R1210-D1350 IonicContact NH2-OD2 2.76Å; R1210-D1350 PolarHBondContact NH2-OD2 3.08Å; R1210-Q1352 VanDerWaalsContact CD-OE1 3.26Å; R1210-Q1352 HydrophobicContact CG-CB 4.2Å; R1210-Q1352 VanDerWaalsContact NE-OE1 3.14Å |
| 1211 | Q | 90.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 177.1 | -72.6 | 80.6 | -6.1 | 0 | 0 | 111.3 | A1015 E1167 V1171 M1208 G1215 | A1015-Q1211 HydrophobicContact CB-CG 4.16Å; E1167-Q1211 HydrophobicContact CG-CG 3.84Å; E1167-Q1211 PolarHBondContact OE1-NE2 2.7Å; E1167-Q1211 VanDerWaalsContact OE1-NE2 3.09Å; E1167-Q1211 PolarHBondContact OE2-NE2 2.94Å; V1171-Q1211 HydrophobicContact CG2-CB 3.8Å; V1171-Q1211 HydrophobicContact CG2-CG 3.79Å; M1208-Q1211 PolarHBondContact O-N 3.48Å; Q1211-G1215 PolarHBondContact O-N 3.3Å |
| 1212 | I | 92.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68 | -44.5 | 175.9 | -63.3 | 167.9 | 0 | 0 | 0 | 111.1 | T1170 M1174 M1208 R1210 G1215 L1216 V1243 | T1170-I1212 HydrophobicContact CG2-CD1 4.06Å; T1170-I1212 HydrophobicContact CG2-CG1 3.59Å; M1174-I1212 HydrophobicContact CE-CB 4.27Å; M1174-I1212 HydrophobicContact CE-CG1 4.44Å; M1174-I1212 HydrophobicContact CE-CG2 3.64Å; M1208-I1212 HydrophobicContact CB-CD1 3.84Å; M1208-I1212 HydrophobicContact CB-CG1 4.36Å; M1208-I1212 WeakPolarHBondContact O-CG1 3.3Å; M1208-I1212 PolarHBondContact O-N 3.25Å; R1210-I1212 VanDerWaalsContact C-N 3.27Å; R1210-I1212 PolarHBondContact O-N 3.41Å; I1212-G1215 PolarHBondContact O-N 3.48Å; I1212-L1216 HydrophobicContact CG2-CD1 3.75Å; I1212-L1216 HydrophobicContact CG2-CG 4.24Å; I1212-L1216 WeakPolarHBondContact O-CB 3.39Å; I1212-L1216 WeakPolarHBondContact O-CG 3.46Å; I1212-L1216 PolarHBondContact O-N 3.31Å; I1212-V1243 HydrophobicContact CB-CG1 3.92Å; I1212-V1243 HydrophobicContact CD1-CG1 4.23Å; I1212-V1243 HydrophobicContact CG2-CB 4.36Å; I1212-V1243 HydrophobicContact CG2-CG1 3.55Å; I1212-V1243 HydrophobicContact CG2-CG2 4.13Å |
| 1213 | A | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1209 R1210 H1217 V1243 A1353 K1356 | A1209-A1213 WeakPolarHBondContact O-CB 3.44Å; A1209-A1213 PolarHBondContact O-N 3.45Å; R1210-A1213 PolarHBondContact O-N 2.76Å; A1213-H1217 PolarHBondContact O-N 3Å; A1213-V1243 HydrophobicContact CB-CG2 3.96Å; A1213-A1353 HydrophobicContact CB-CB 3.83Å; A1213-K1356 HydrophobicContact CB-CB 4.39Å |
| 1214 | F | 94.1 | Very high | 90.1 | Very high | 44 Ų | 44 | 28.2 Ų | 28.2 | 19% | 0.193 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.8 | -39.8 | 175.7 | -78.3 | -117.1 | 0 | 0 | 0 | 111.5 | F1014 R1210 H1217 D1218 K1356 | F1014-F1214 HydrophobicContact CB-CB 3.7Å; F1014-F1214 WeakPolarHBondContact O-CD1 3.47Å; R1210-F1214 HydrophobicContact CG-CD2 3.99Å; R1210-F1214 HydrophobicContact CG-CE2 3.79Å; R1210-F1214 WeakPolarHBondContact O-CD2 3.34Å; R1210-F1214 PolarHBondContact O-N 3.32Å; F1214-H1217 WeakPolarHBondContact O-CB 3.28Å; F1214-H1217 PolarHBondContact O-N 3.49Å; F1214-D1218 PolarHBondContact O-N 3.29Å; F1214-D1218 VanDerWaalsContact O-N 3.12Å; F1214-K1356 HydrophobicContact CB-CG 4.42Å; F1214-K1356 HydrophobicContact CD1-CD 3.84Å; F1214-K1356 HydrophobicContact CD1-CG 4.12Å; F1214-K1356 HydrophobicContact CD2-CB 3.77Å; F1214-K1356 HydrophobicContact CD2-CD 4.07Å; F1214-K1356 HydrophobicContact CD2-CG 3.55Å; F1214-K1356 HydrophobicContact CE1-CD 3.78Å; F1214-K1356 HydrophobicContact CE1-CG 4.35Å; F1214-K1356 HydrophobicContact CE2-CB 3.67Å; F1214-K1356 HydrophobicContact CE2-CD 3.99Å; F1214-K1356 HydrophobicContact CE2-CG 3.79Å; F1214-K1356 HydrophobicContact CG-CB 4.47Å; F1214-K1356 HydrophobicContact CG-CD 4.02Å; F1214-K1356 HydrophobicContact CG-CG 3.75Å; F1214-K1356 HydrophobicContact CZ-CB 4.32Å; F1214-K1356 HydrophobicContact CZ-CD 3.86Å; F1214-K1356 HydrophobicContact CZ-CG 4.2Å |
| 1215 | G | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1211 I1212 D1218 I1219 | Q1211-G1215 PolarHBondContact O-N 3.3Å; I1212-G1215 PolarHBondContact O-N 3.48Å; G1215-D1218 PolarHBondContact O-N 3.45Å; G1215-I1219 WeakPolarHBondContact O-CB 3.48Å; G1215-I1219 VanDerWaalsContact O-CG1 3.28Å; G1215-I1219 WeakPolarHBondContact O-CG1 3.17Å; G1215-I1219 PolarHBondContact O-N 3.15Å |
| 1216 | L | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 174.6 | -74.8 | 166.6 | 0 | 0 | 0 | 112.3 | M1174 I1212 I1219 L1220 L1236 L1239 L1240 V1243 | M1174-L1216 HydrophobicContact CE-CD2 4.28Å; M1174-L1216 HydrophobicContact CE-CG 4.05Å; I1212-L1216 HydrophobicContact CG2-CD1 3.75Å; I1212-L1216 HydrophobicContact CG2-CG 4.24Å; I1212-L1216 WeakPolarHBondContact O-CB 3.39Å; I1212-L1216 WeakPolarHBondContact O-CG 3.46Å; I1212-L1216 PolarHBondContact O-N 3.31Å; L1216-I1219 PolarHBondContact O-N 2.94Å; L1216-L1220 WeakPolarHBondContact O-CB 3.24Å; L1216-L1220 WeakPolarHBondContact O-CG 3.49Å; L1216-L1220 PolarHBondContact O-N 3.42Å; L1216-L1236 HydrophobicContact CD2-CD2 3.93Å; L1216-L1239 HydrophobicContact CD1-CB 3.83Å; L1216-L1239 HydrophobicContact CD2-CB 4.19Å; L1216-L1239 HydrophobicContact CD2-CD1 4.17Å; L1216-L1240 HydrophobicContact CB-CD2 4.01Å; L1216-L1240 HydrophobicContact CD1-CD2 4Å; L1216-L1240 HydrophobicContact CD1-CG 4.34Å; L1216-V1243 HydrophobicContact CD1-CG2 4.08Å |
| 1217 | H | 94.8 | Very high | 91 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 7% | 0.065 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -50.4 | 173.7 | -178.3 | 89.5 | 0 | 0 | 0 | 111 | A1213 F1214 L1220 R1221 K1356 E1359 T1360 | A1213-H1217 PolarHBondContact O-N 3Å; F1214-H1217 WeakPolarHBondContact O-CB 3.28Å; F1214-H1217 PolarHBondContact O-N 3.49Å; H1217-L1220 PolarHBondContact O-N 3.35Å; H1217-R1221 WeakPolarHBondContact O-CB 3.37Å; H1217-R1221 PolarHBondContact O-N 3.23Å; H1217-K1356 HydrophobicContact CB-CG 4.1Å; H1217-K1356 WeakPolarHBondContact CD2-CE 3.35Å; H1217-K1356 PolarHBondContact CD2-NZ 2.96Å; H1217-K1356 PolarHBondContact CE1-NZ 3.41Å; H1217-K1356 PolarHBondContact NE2-NZ 3.42Å; H1217-K1356 VanDerWaalsContact NE2-NZ 3.13Å; H1217-E1359 IonicContact CE1-OE2 3.7Å; H1217-T1360 WeakPolarHBondContact CA-OG1 3.46Å; H1217-T1360 VanDerWaalsContact CB-OG1 3.32Å; H1217-T1360 WeakPolarHBondContact CB-OG1 3.48Å; H1217-T1360 PolarHBondContact ND1-OG1 3.05Å |
| 1218 | D | 91.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 23% | 0.225 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.6 | -28.3 | -179.8 | -75.8 | -14.8 | 0 | 0 | 0 | 113.1 | F1014 V1178 F1214 G1215 N1222 | F1014-D1218 WeakPolarHBondContact CD1-OD2 3.4Å; F1014-D1218 HydrophobicContact CE1-CB 4.4Å; V1178-D1218 HydrophobicContact CG2-CB 4.21Å; F1214-D1218 PolarHBondContact O-N 3.29Å; F1214-D1218 VanDerWaalsContact O-N 3.12Å; G1215-D1218 PolarHBondContact O-N 3.45Å; D1218-N1222 VanDerWaalsContact O-CB 3.32Å; D1218-N1222 WeakPolarHBondContact O-CB 3.41Å; D1218-N1222 PolarHBondContact O-N 3.45Å; D1218-N1222 PolarHBondContact O-ND2 2.88Å |
| 1219 | I | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -55.1 | 168.2 | -78.2 | 170.1 | 0 | 0 | 0 | 109.7 | M1174 A1177 V1178 L1181 L1194 G1215 L1216 N1223 L1236 | M1174-I1219 HydrophobicContact SD-CD1 3.46Å; M1174-I1219 WeakPolarHBondContact SD-CD1 3.47Å; A1177-I1219 HydrophobicContact CB-CD1 3.79Å; A1177-I1219 HydrophobicContact CB-CG1 4.26Å; V1178-I1219 HydrophobicContact CG2-CB 4.45Å; V1178-I1219 HydrophobicContact CG2-CG1 3.55Å; L1181-I1219 HydrophobicContact CD1-CG1 4.46Å; L1181-I1219 HydrophobicContact CD1-CG2 3.6Å; L1194-I1219 HydrophobicContact CD1-CD1 4Å; L1194-I1219 HydrophobicContact CD2-CD1 4.43Å; G1215-I1219 WeakPolarHBondContact O-CB 3.48Å; G1215-I1219 VanDerWaalsContact O-CG1 3.28Å; G1215-I1219 WeakPolarHBondContact O-CG1 3.17Å; G1215-I1219 PolarHBondContact O-N 3.15Å; L1216-I1219 PolarHBondContact O-N 2.94Å; I1219-N1223 WeakPolarHBondContact O-CA 3.33Å; I1219-N1223 VanDerWaalsContact O-CB 3.23Å; I1219-N1223 WeakPolarHBondContact O-CB 3.3Å; I1219-N1223 PolarHBondContact O-N 3.16Å; I1219-N1223 PolarHBondContact O-ND2 3.43Å; I1219-L1236 HydrophobicContact CG2-CD2 4.31Å |
| 1220 | L | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.3 | -44 | -174.3 | -74.6 | 160 | 0 | 0 | 0 | 111.4 | L1216 H1217 N1222 N1223 A1224 W1233 L1236 L1240 T1360 L1364 | L1216-L1220 WeakPolarHBondContact O-CB 3.24Å; L1216-L1220 WeakPolarHBondContact O-CG 3.49Å; L1216-L1220 PolarHBondContact O-N 3.42Å; H1217-L1220 PolarHBondContact O-N 3.35Å; L1220-N1222 VanDerWaalsContact C-N 3.29Å; L1220-N1222 PolarHBondContact O-N 2.94Å; L1220-N1223 PolarHBondContact O-N 2.93Å; L1220-A1224 WeakPolarHBondContact O-CB 3.42Å; L1220-A1224 PolarHBondContact O-N 2.89Å; L1220-W1233 HydrophobicContact CD2-CH2 4.32Å; L1220-W1233 HydrophobicContact CD2-CZ3 3.73Å; L1220-L1236 HydrophobicContact CD2-CD1 3.93Å; L1220-L1240 HydrophobicContact CD1-CD1 3.97Å; L1220-T1360 HydrophobicContact CB-CG2 4.05Å; L1220-T1360 HydrophobicContact CD1-CG2 3.5Å; L1220-T1360 HydrophobicContact CG-CG2 4.41Å; L1220-L1364 HydrophobicContact CD1-CD1 4.16Å; L1220-L1364 HydrophobicContact CD2-CD1 4.2Å; L1220-L1364 HydrophobicContact CD2-CD2 4.28Å |
| 1221 | R | 91.8 | Very high | 91.3 | Very high | 148 Ų | 148 | 43.5 Ų | 43.5 | 56% | 0.558 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.5 | -34.7 | 178.7 | -173.8 | 178.1 | -179.8 | -166.2 | 0.2 | 113.5 | H1217 F1363 | H1217-R1221 WeakPolarHBondContact O-CB 3.37Å; H1217-R1221 PolarHBondContact O-N 3.23Å; R1221-F1363 HydrophobicContact CB-CE1 4.49Å |
| 1222 | N | 89.8 | Confident | 91.3 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -96.6 | -21.3 | 179.8 | -63 | -65 | 0 | 0 | 0 | 113.7 | D1218 L1220 | D1218-N1222 VanDerWaalsContact O-CB 3.32Å; D1218-N1222 WeakPolarHBondContact O-CB 3.41Å; D1218-N1222 PolarHBondContact O-N 3.45Å; D1218-N1222 PolarHBondContact O-ND2 2.88Å; L1220-N1222 VanDerWaalsContact C-N 3.29Å; L1220-N1222 PolarHBondContact O-N 2.94Å |
| 1223 | N | 91.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -132.9 | 5.9 | -169.7 | -56.9 | -92.1 | 0 | 0 | 0 | 116.2 | V1178 L1181 V1182 I1219 L1220 A1225 H1226 | V1178-N1223 PolarHBondContact O-ND2 3.01Å; L1181-N1223 HydrophobicContact CB-CB 3.82Å; L1181-N1223 WeakPolarHBondContact CB-OD1 3.36Å; L1181-N1223 HydrophobicContact CD1-CB 4.06Å; V1182-N1223 WeakPolarHBondContact CG2-OD1 3.45Å; V1182-N1223 PolarHBondContact N-OD1 3.13Å; I1219-N1223 WeakPolarHBondContact O-CA 3.33Å; I1219-N1223 VanDerWaalsContact O-CB 3.23Å; I1219-N1223 WeakPolarHBondContact O-CB 3.3Å; I1219-N1223 PolarHBondContact O-N 3.16Å; I1219-N1223 PolarHBondContact O-ND2 3.43Å; L1220-N1223 PolarHBondContact O-N 2.93Å; N1223-A1225 PolarHBondContact O-N 3.34Å; N1223-H1226 WeakPolarHBondContact O-CB 3.35Å; N1223-H1226 PolarHBondContact O-N 2.96Å |
| 1224 | A | 90.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -51.8 | -41.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1220 H1226 V1227 W1233 F1363 L1364 H1370 | L1220-A1224 WeakPolarHBondContact O-CB 3.42Å; L1220-A1224 PolarHBondContact O-N 2.89Å; A1224-H1226 PolarHBondContact O-N 3.49Å; A1224-H1226 VanDerWaalsContact O-N 3.14Å; A1224-V1227 PolarHBondContact O-N 3.16Å; A1224-V1227 VanDerWaalsContact O-N 3.08Å; A1224-W1233 HydrophobicContact CB-CH2 4.12Å; A1224-F1363 HydrophobicContact CB-CE1 4.41Å; A1224-L1364 HydrophobicContact CB-CD2 3.96Å; A1224-H1370 HydrophobicContact CB-CB 4.5Å |
| 1225 | A | 88.7 | Confident | 91.1 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 60% | 0.603 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -63.6 | -15.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1223 | N1223-A1225 PolarHBondContact O-N 3.34Š|
| 1226 | H | 88.4 | Confident | 91.2 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -90.1 | -22.5 | 175 | -64.9 | -59.7 | 0 | 0 | 0 | 112.7 | R1187 N1223 A1224 K1228 | R1187-H1226 VanDerWaalsContact CD-O 3.22Å; R1187-H1226 WeakPolarHBondContact CD-O 3.2Å; N1223-H1226 WeakPolarHBondContact O-CB 3.35Å; N1223-H1226 PolarHBondContact O-N 2.96Å; A1224-H1226 PolarHBondContact O-N 3.49Å; A1224-H1226 VanDerWaalsContact O-N 3.14Å; H1226-K1228 PolarHBondContact O-N 3.11Å |
| 1227 | V | 90.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | trans | -81 | 109.7 | 180 | -170.6 | 0 | 0 | 0 | 0 | 109.3 | L1191 A1224 H1232 W1233 L1236 | L1191-V1227 HydrophobicContact CD1-CG1 4.33Å; L1191-V1227 HydrophobicContact CD1-CG2 4.31Å; L1191-V1227 HydrophobicContact CD2-CG2 4.22Å; A1224-V1227 PolarHBondContact O-N 3.16Å; A1224-V1227 VanDerWaalsContact O-N 3.08Å; V1227-H1232 HydrophobicContact CG1-CB 3.84Å; V1227-W1233 HydrophobicContact CB-CD2 4.31Å; V1227-W1233 HydrophobicContact CB-CH2 4.27Å; V1227-W1233 HydrophobicContact CB-CZ2 3.7Å; V1227-W1233 HydrophobicContact CG1-CD2 3.73Å; V1227-W1233 HydrophobicContact CG1-CE3 4.38Å; V1227-W1233 HydrophobicContact CG1-CG 3.94Å; V1227-W1233 HydrophobicContact CG1-CZ2 4.06Å; V1227-W1233 VanDerWaalsContact O-CE2 3.31Å; V1227-W1233 VanDerWaalsContact O-CZ2 3.31Å; V1227-W1233 WeakPolarHBondContact O-CZ2 3.47Å; V1227-W1233 PolarHBondContact O-NE1 3.5Å; V1227-L1236 HydrophobicContact CG1-CD1 4.1Å; V1227-L1236 HydrophobicContact CG2-CD1 3.95Å | ||
| 1228 | K | 85.4 | Confident | 90.9 | Very high | 135 Ų | 135 | 45.8 Ų | 45.8 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | trans | -102.3 | -65.4 | 179.9 | -61.4 | -178.6 | -179.1 | -179.9 | 0 | 111.3 | H1226 Q1230 W1233 E1374 | H1226-K1228 PolarHBondContact O-N 3.11Å; K1228-Q1230 PolarHBondContact O-N 3.39Å; K1228-W1233 PolarHBondContact O-NE1 2.87Å; K1228-E1374 VanDerWaalsContact O-CD 3.29Å | ||
| 1229 | K | 89.1 | Confident | 90.9 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | trans | -52.8 | 129.3 | -172.7 | -62.8 | -179.5 | 178.6 | 173.9 | 0 | 114 | D1188 T1231 H1232 W1233 E1374 | D1188-K1229 IonicContact OD2-NZ 3.86Å; D1188-K1229 PolarHBondContact OD2-NZ 2.73Å; K1229-T1231 PolarHBondContact O-N 2.93Å; K1229-T1231 VanDerWaalsContact O-N 3.12Å; K1229-H1232 PolarHBondContact O-N 3.5Å; K1229-W1233 PolarHBondContact O-N 2.9Å; K1229-E1374 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 1230 | Q | 89.2 | Confident | 90.9 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 43% | 0.425 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -48.7 | -37.3 | 171.7 | 174.3 | 169.6 | 62.2 | 0 | 0 | 113.2 | K1228 H1232 W1233 S1234 E1374 | K1228-Q1230 PolarHBondContact O-N 3.39Å; Q1230-H1232 VanDerWaalsContact C-N 3.27Å; Q1230-H1232 PolarHBondContact O-N 3.29Å; Q1230-W1233 PolarHBondContact O-N 2.98Å; Q1230-S1234 PolarHBondContact O-N 3.47Å; Q1230-S1234 PolarHBondContact O-OG 3.29Å; Q1230-E1374 VanDerWaalsContact CA-O 3.31Å; Q1230-E1374 WeakPolarHBondContact CA-O 3.45Å; Q1230-E1374 HydrophobicContact CB-CB 4.09Å; Q1230-E1374 WeakPolarHBondContact CB-O 3.5Å; Q1230-E1374 WeakPolarHBondContact CG-O 3.19Å; Q1230-E1374 PolarHBondContact N-OE2 3.26Å |
| 1231 | T | 89.8 | Confident | 90.8 | Very high | 83 Ų | 83 | 44 Ų | 44 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.3 | -27.8 | 177.4 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | K1229 S1234 I1235 | K1229-T1231 PolarHBondContact O-N 2.93Å; K1229-T1231 VanDerWaalsContact O-N 3.12Å; T1231-S1234 PolarHBondContact O-OG 3.41Å; T1231-S1234 VanDerWaalsContact O-OG 3.1Å; T1231-I1235 WeakPolarHBondContact O-CD1 3.47Å; T1231-I1235 WeakPolarHBondContact O-CG1 3.41Å; T1231-I1235 PolarHBondContact O-N 2.94Å |
| 1232 | H | 92.1 | Very high | 90.6 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -87 | -37.8 | 179.1 | -58.7 | 167.6 | 0 | 0 | 0 | 110.8 | D1188 L1191 V1227 K1229 Q1230 S1234 I1235 L1236 | D1188-H1232 IonicContact OD1-CE1 2.67Å; D1188-H1232 PolarHBondContact OD1-CE1 2.98Å; D1188-H1232 VanDerWaalsContact OD1-CE1 3.31Å; D1188-H1232 IonicContact OD1-ND1 2.73Å; L1191-H1232 HydrophobicContact CB-CB 4Å; L1191-H1232 HydrophobicContact CD1-CB 3.77Å; L1191-H1232 WeakPolarHBondContact CD1-ND1 3.31Å; L1191-H1232 HydrophobicContact CD2-CB 4.43Å; L1191-H1232 HydrophobicContact CG-CB 4.24Å; V1227-H1232 HydrophobicContact CG1-CB 3.84Å; K1229-H1232 PolarHBondContact O-N 3.5Å; Q1230-H1232 VanDerWaalsContact C-N 3.27Å; Q1230-H1232 PolarHBondContact O-N 3.29Å; H1232-S1234 VanDerWaalsContact C-N 3.33Å; H1232-S1234 PolarHBondContact O-N 3.3Å; H1232-I1235 PolarHBondContact O-N 2.93Å; H1232-L1236 WeakPolarHBondContact O-CG 3.22Å; H1232-L1236 PolarHBondContact O-N 3.36Å |
| 1233 | W | 93 | Very high | 90.7 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 169.4 | -74.4 | 114.1 | 0 | 0 | 0 | 112.4 | L1220 A1224 V1227 K1228 K1229 Q1230 I1235 L1236 F1237 L1364 N1375 | L1220-W1233 HydrophobicContact CD2-CH2 4.32Å; L1220-W1233 HydrophobicContact CD2-CZ3 3.73Å; A1224-W1233 HydrophobicContact CB-CH2 4.12Å; V1227-W1233 HydrophobicContact CB-CD2 4.31Å; V1227-W1233 HydrophobicContact CB-CH2 4.27Å; V1227-W1233 HydrophobicContact CB-CZ2 3.7Å; V1227-W1233 HydrophobicContact CG1-CD2 3.73Å; V1227-W1233 HydrophobicContact CG1-CE3 4.38Å; V1227-W1233 HydrophobicContact CG1-CG 3.94Å; V1227-W1233 HydrophobicContact CG1-CZ2 4.06Å; V1227-W1233 VanDerWaalsContact O-CE2 3.31Å; V1227-W1233 VanDerWaalsContact O-CZ2 3.31Å; V1227-W1233 WeakPolarHBondContact O-CZ2 3.47Å; V1227-W1233 PolarHBondContact O-NE1 3.5Å; K1228-W1233 PolarHBondContact O-NE1 2.87Å; K1229-W1233 PolarHBondContact O-N 2.9Å; Q1230-W1233 PolarHBondContact O-N 2.98Å; W1233-I1235 VanDerWaalsContact C-N 3.33Å; W1233-I1235 PolarHBondContact O-N 3.46Å; W1233-L1236 PolarHBondContact O-N 3.12Å; W1233-F1237 HydrophobicContact CB-CD2 4.39Å; W1233-F1237 HydrophobicContact CD2-CE2 4.5Å; W1233-F1237 HydrophobicContact CE3-CD2 4.25Å; W1233-F1237 AromaticContact CE3-CE2 3.68Å; W1233-F1237 HydrophobicContact CE3-CE2 3.68Å; W1233-F1237 HydrophobicContact CE3-CZ 4.41Å; W1233-F1237 HydrophobicContact CZ3-CE2 4.28Å; W1233-F1237 VanDerWaalsContact O-CD2 3.28Å; W1233-F1237 WeakPolarHBondContact O-CD2 3.47Å; W1233-F1237 PolarHBondContact O-N 3.04Å; W1233-L1364 HydrophobicContact CH2-CD2 4.32Å; W1233-L1364 HydrophobicContact CZ3-CD1 4.42Å; W1233-L1364 HydrophobicContact CZ3-CD2 4.31Å; W1233-N1375 HydrophobicContact CB-CB 3.61Å; W1233-N1375 HydrophobicContact CD2-CB 3.53Å; W1233-N1375 VanDerWaalsContact CE2-ND2 3.32Å; W1233-N1375 HydrophobicContact CE3-CB 4.11Å; W1233-N1375 HydrophobicContact CG-CB 3.29Å; W1233-N1375 WeakPolarHBondContact CZ2-ND2 3.36Å |
| 1234 | S | 90.9 | Very high | 90.6 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 40% | 0.399 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.4 | -32 | 176.8 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | Q1230 T1231 H1232 S1238 | Q1230-S1234 PolarHBondContact O-N 3.47Å; Q1230-S1234 PolarHBondContact O-OG 3.29Å; T1231-S1234 PolarHBondContact O-OG 3.41Å; T1231-S1234 VanDerWaalsContact O-OG 3.1Å; H1232-S1234 VanDerWaalsContact C-N 3.33Å; H1232-S1234 PolarHBondContact O-N 3.3Å; S1234-S1238 WeakPolarHBondContact O-CB 3.44Å; S1234-S1238 PolarHBondContact O-N 3.25Å |
| 1235 | I | 91.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64 | -49.5 | 170.2 | -68.4 | 163.1 | 0 | 0 | 0 | 110.5 | L1194 R1195 Q1198 T1231 H1232 W1233 S1238 L1239 | L1194-I1235 HydrophobicContact CB-CG2 4.37Å; R1195-I1235 HydrophobicContact CB-CD1 4.07Å; R1195-I1235 HydrophobicContact CB-CG1 4.13Å; R1195-I1235 HydrophobicContact CB-CG2 4.01Å; R1195-I1235 HydrophobicContact CG-CG1 4.24Å; Q1198-I1235 PolarHBondContact NE2-O 3.2Å; T1231-I1235 WeakPolarHBondContact O-CD1 3.47Å; T1231-I1235 WeakPolarHBondContact O-CG1 3.41Å; T1231-I1235 PolarHBondContact O-N 2.94Å; H1232-I1235 PolarHBondContact O-N 2.93Å; W1233-I1235 VanDerWaalsContact C-N 3.33Å; W1233-I1235 PolarHBondContact O-N 3.46Å; I1235-S1238 PolarHBondContact O-N 3.48Å; I1235-L1239 HydrophobicContact CG2-CD1 3.96Å; I1235-L1239 WeakPolarHBondContact O-CB 3.35Å; I1235-L1239 WeakPolarHBondContact O-CG 3.47Å; I1235-L1239 PolarHBondContact O-N 2.9Å |
| 1236 | L | 94.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | -176.8 | -67.1 | 171.9 | 0 | 0 | 0 | 112.7 | L1191 L1194 L1216 I1219 L1220 V1227 H1232 W1233 L1239 L1240 | L1191-L1236 HydrophobicContact CD2-CD1 4Å; L1191-L1236 HydrophobicContact CD2-CD2 4.46Å; L1191-L1236 HydrophobicContact CD2-CG 4.42Å; L1194-L1236 HydrophobicContact CD1-CD2 3.92Å; L1216-L1236 HydrophobicContact CD2-CD2 3.93Å; I1219-L1236 HydrophobicContact CG2-CD2 4.31Å; L1220-L1236 HydrophobicContact CD2-CD1 3.93Å; V1227-L1236 HydrophobicContact CG1-CD1 4.1Å; V1227-L1236 HydrophobicContact CG2-CD1 3.95Å; H1232-L1236 WeakPolarHBondContact O-CG 3.22Å; H1232-L1236 PolarHBondContact O-N 3.36Å; W1233-L1236 PolarHBondContact O-N 3.12Å; L1236-L1239 PolarHBondContact O-N 3.09Å; L1236-L1240 WeakPolarHBondContact O-CG 3.15Å; L1236-L1240 PolarHBondContact O-N 2.82Å |
| 1237 | F | 93.5 | Very high | 90.3 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | 175.4 | -78.3 | -65.8 | 0 | 0 | 0 | 112.1 | W1233 L1239 L1240 E1241 L1361 L1364 N1375 A1378 C1379 C1382 | W1233-F1237 HydrophobicContact CB-CD2 4.39Å; W1233-F1237 HydrophobicContact CD2-CE2 4.5Å; W1233-F1237 HydrophobicContact CE3-CD2 4.25Å; W1233-F1237 AromaticContact CE3-CE2 3.68Å; W1233-F1237 HydrophobicContact CE3-CE2 3.68Å; W1233-F1237 HydrophobicContact CE3-CZ 4.41Å; W1233-F1237 HydrophobicContact CZ3-CE2 4.28Å; W1233-F1237 VanDerWaalsContact O-CD2 3.28Å; W1233-F1237 WeakPolarHBondContact O-CD2 3.47Å; W1233-F1237 PolarHBondContact O-N 3.04Å; F1237-L1239 VanDerWaalsContact C-N 3.28Å; F1237-L1239 PolarHBondContact O-N 2.87Å; F1237-L1240 HydrophobicContact CD1-CD1 4.11Å; F1237-L1240 HydrophobicContact CE1-CD1 4.48Å; F1237-L1240 WeakPolarHBondContact O-CB 3.44Å; F1237-L1240 PolarHBondContact O-N 3.1Å; F1237-E1241 WeakPolarHBondContact O-CG 3.43Å; F1237-E1241 PolarHBondContact O-N 3.22Å; F1237-L1361 HydrophobicContact CD1-CD2 4.26Å; F1237-L1361 HydrophobicContact CE1-CD2 3.8Å; F1237-L1364 HydrophobicContact CE1-CD1 4.02Å; F1237-L1364 HydrophobicContact CZ-CD1 3.92Å; F1237-N1375 HydrophobicContact CE2-CB 4.2Å; F1237-A1378 HydrophobicContact CB-CB 4.01Å; F1237-A1378 HydrophobicContact CD2-CB 3.5Å; F1237-A1378 VanDerWaalsContact CD2-CB 3.5Å; F1237-A1378 HydrophobicContact CE2-CB 4.27Å; F1237-A1378 HydrophobicContact CG-CB 3.99Å; F1237-C1379 HydrophobicContact CE1-CB 4.05Å; F1237-C1379 HydrophobicContact CE2-CB 4.08Å; F1237-C1379 HydrophobicContact CZ-CB 3.62Å; F1237-C1382 HydrophobicContact CB-CB 4.29Å; F1237-C1382 HydrophobicContact CD1-CB 3.64Å; F1237-C1382 HydrophobicContact CE1-CB 4.39Å; F1237-C1382 HydrophobicContact CG-CB 4.3Å |
| 1238 | S | 90.2 | Very high | 89.7 | Confident | 22 Ų | 22 | 26.6 Ų | 26.6 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | Q1198 S1234 I1235 E1241 T1242 | Q1198-S1238 PolarHBondContact NE2-OG 3.03Å; S1234-S1238 WeakPolarHBondContact O-CB 3.44Å; S1234-S1238 PolarHBondContact O-N 3.25Å; I1235-S1238 PolarHBondContact O-N 3.48Å; S1238-E1241 PolarHBondContact O-N 3.32Å; S1238-T1242 WeakPolarHBondContact O-CG2 3.44Å; S1238-T1242 PolarHBondContact O-N 3.27Å; S1238-T1242 PolarHBondContact O-OG1 3.04Å |
| 1239 | L | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.1 | -49.7 | 171.6 | -80 | 168.6 | 0 | 0 | 0 | 111.9 | L1194 L1197 Q1198 L1216 I1235 L1236 F1237 E1241 T1242 V1243 | L1194-L1239 HydrophobicContact CB-CD1 3.9Å; L1197-L1239 HydrophobicContact CB-CD2 4.05Å; Q1198-L1239 HydrophobicContact CG-CD2 3.64Å; Q1198-L1239 HydrophobicContact CG-CG 4.17Å; L1216-L1239 HydrophobicContact CD1-CB 3.83Å; L1216-L1239 HydrophobicContact CD2-CB 4.19Å; L1216-L1239 HydrophobicContact CD2-CD1 4.17Å; I1235-L1239 HydrophobicContact CG2-CD1 3.96Å; I1235-L1239 WeakPolarHBondContact O-CB 3.35Å; I1235-L1239 WeakPolarHBondContact O-CG 3.47Å; I1235-L1239 PolarHBondContact O-N 2.9Å; L1236-L1239 PolarHBondContact O-N 3.09Å; F1237-L1239 VanDerWaalsContact C-N 3.28Å; F1237-L1239 PolarHBondContact O-N 2.87Å; L1239-E1241 VanDerWaalsContact C-N 3.31Å; L1239-E1241 PolarHBondContact O-N 2.99Å; L1239-T1242 WeakPolarHBondContact CA-OG1 3.29Å; L1239-T1242 PolarHBondContact O-N 3.29Å; L1239-T1242 VanDerWaalsContact O-N 3.09Å; L1239-T1242 PolarHBondContact O-OG1 2.96Å; L1239-V1243 WeakPolarHBondContact O-CG2 3.42Å; L1239-V1243 PolarHBondContact O-N 3.45Å |
| 1240 | L | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.5 | -46.2 | 175.3 | -71.5 | 171.1 | 0 | 0 | 0 | 111.6 | L1216 L1220 L1236 F1237 V1243 G1244 C1357 T1360 F1386 | L1216-L1240 HydrophobicContact CB-CD2 4.01Å; L1216-L1240 HydrophobicContact CD1-CD2 4Å; L1216-L1240 HydrophobicContact CD1-CG 4.34Å; L1220-L1240 HydrophobicContact CD1-CD1 3.97Å; L1236-L1240 WeakPolarHBondContact O-CG 3.15Å; L1236-L1240 PolarHBondContact O-N 2.82Å; F1237-L1240 HydrophobicContact CD1-CD1 4.11Å; F1237-L1240 HydrophobicContact CE1-CD1 4.48Å; F1237-L1240 WeakPolarHBondContact O-CB 3.44Å; F1237-L1240 PolarHBondContact O-N 3.1Å; L1240-V1243 PolarHBondContact O-N 2.91Å; L1240-G1244 PolarHBondContact O-N 3.28Å; L1240-C1357 HydrophobicContact CD2-CB 4.1Å; L1240-C1357 VanDerWaalsContact CD2-SG 3.56Å; L1240-T1360 HydrophobicContact CD1-CG2 4.43Å; L1240-T1360 HydrophobicContact CD2-CG2 4.33Å; L1240-F1386 HydrophobicContact CB-CE2 4.43Å; L1240-F1386 VanDerWaalsContact O-CZ 3.32Å; L1240-F1386 WeakPolarHBondContact O-CZ 3.42Å |
| 1241 | E | 91.4 | Very high | 85.7 | Confident | 6 Ų | 6 | 20.4 Ų | 20.4 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 174.2 | -71.8 | -173.1 | 139.3 | 0 | 0 | 112.6 | F1237 S1238 L1239 V1243 A1245 A1246 A1247 R1333 C1382 T1385 | F1237-E1241 WeakPolarHBondContact O-CG 3.43Å; F1237-E1241 PolarHBondContact O-N 3.22Å; S1238-E1241 PolarHBondContact O-N 3.32Å; L1239-E1241 VanDerWaalsContact C-N 3.31Å; L1239-E1241 PolarHBondContact O-N 2.99Å; E1241-V1243 PolarHBondContact O-N 2.96Å; E1241-A1245 CarbonylContact O-C 3.6Å; E1241-A1245 WeakPolarHBondContact O-CA 3.41Å; E1241-A1245 PolarHBondContact O-N 3.44Å; E1241-A1246 PolarHBondContact O-N 2.89Å; E1241-A1247 HydrophobicContact CB-CB 4.11Å; E1241-A1247 PolarHBondContact O-N 2.66Å; E1241-A1247 VanDerWaalsContact O-N 3.08Å; E1241-R1333 IonicContact OE1-NH1 3.54Å; E1241-R1333 IonicContact OE2-CZ 3.53Å; E1241-R1333 IonicContact OE2-NH1 2.7Å; E1241-R1333 PolarHBondContact OE2-NH1 2.71Å; E1241-C1382 HydrophobicContact CG-CB 4.16Å; E1241-T1385 HydrophobicContact CB-CG2 4.22Å; E1241-T1385 HydrophobicContact CG-CG2 3.97Å; E1241-T1385 VanDerWaalsContact OE1-CB 3.3Å; E1241-T1385 WeakPolarHBondContact OE1-CB 3.45Å; E1241-T1385 PolarHBondContact OE1-OG1 3.34Å |
| 1242 | T | 89 | Confident | 84 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.1 | -32.1 | -179.1 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | S1238 L1239 A1246 A1247 | S1238-T1242 WeakPolarHBondContact O-CG2 3.44Å; S1238-T1242 PolarHBondContact O-N 3.27Å; S1238-T1242 PolarHBondContact O-OG1 3.04Å; L1239-T1242 WeakPolarHBondContact CA-OG1 3.29Å; L1239-T1242 PolarHBondContact O-N 3.29Å; L1239-T1242 VanDerWaalsContact O-N 3.09Å; L1239-T1242 PolarHBondContact O-OG1 2.96Å; T1242-A1246 WeakPolarHBondContact O-CA 3.43Å; T1242-A1247 WeakPolarHBondContact CG2-O 3.39Å |
| 1243 | V | 90.8 | Very high | 81.7 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -98.7 | -38.6 | -176.7 | -58 | 0 | 0 | 0 | 0 | 114.3 | L1205 A1209 I1212 A1213 L1216 L1239 L1240 E1241 | L1205-V1243 HydrophobicContact CD2-CG1 3.76Å; A1209-V1243 HydrophobicContact CB-CB 3.99Å; A1209-V1243 HydrophobicContact CB-CG1 4.49Å; I1212-V1243 HydrophobicContact CB-CG1 3.92Å; I1212-V1243 HydrophobicContact CD1-CG1 4.23Å; I1212-V1243 HydrophobicContact CG2-CB 4.36Å; I1212-V1243 HydrophobicContact CG2-CG1 3.55Å; I1212-V1243 HydrophobicContact CG2-CG2 4.13Å; A1213-V1243 HydrophobicContact CB-CG2 3.96Å; L1216-V1243 HydrophobicContact CD1-CG2 4.08Å; L1239-V1243 WeakPolarHBondContact O-CG2 3.42Å; L1239-V1243 PolarHBondContact O-N 3.45Å; L1240-V1243 PolarHBondContact O-N 2.91Å; E1241-V1243 PolarHBondContact O-N 2.96Å |
| 1244 | G | 90.1 | Very high | 79.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -85.2 | -31.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1240 Y1354 | L1240-G1244 PolarHBondContact O-N 3.28Å; G1244-Y1354 WeakPolarHBondContact O-CA 3.45Å; G1244-Y1354 WeakPolarHBondContact O-CB 3.34Å; G1244-Y1354 WeakPolarHBondContact O-CD2 3.16Å |
| 1245 | A | 88.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -119.1 | 7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1241 A1247 L1346 T1385 F1386 A1389 | E1241-A1245 CarbonylContact O-C 3.6Å; E1241-A1245 WeakPolarHBondContact O-CA 3.41Å; E1241-A1245 PolarHBondContact O-N 3.44Å; A1245-A1247 PolarHBondContact O-N 3.34Å; A1245-A1247 VanDerWaalsContact O-N 3.12Å; A1245-L1346 HydrophobicContact CB-CD2 4.29Å; A1245-L1346 WeakPolarHBondContact O-CD2 3.4Å; A1245-T1385 HydrophobicContact CB-CG2 4.02Å; A1245-F1386 HydrophobicContact CB-CD1 4.5Å; A1245-F1386 HydrophobicContact CB-CD2 4.36Å; A1245-F1386 HydrophobicContact CB-CE1 4.36Å; A1245-F1386 HydrophobicContact CB-CE2 4.24Å; A1245-F1386 HydrophobicContact CB-CG 4.49Å; A1245-F1386 HydrophobicContact CB-CZ 4.23Å; A1245-A1389 HydrophobicContact CB-CB 3.82Å |
| 1246 | A | 87.2 | Confident | 74.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | trans | 51.7 | 34.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1241 T1242 F1248 R1347 S1348 H1349 | E1241-A1246 PolarHBondContact O-N 2.89Å; T1242-A1246 WeakPolarHBondContact O-CA 3.43Å; A1246-F1248 HydrophobicContact CB-CE2 3.99Å; A1246-F1248 WeakPolarHBondContact O-CD2 3.34Å; A1246-F1248 WeakPolarHBondContact O-CE2 3.35Å; A1246-F1248 PolarHBondContact O-N 2.61Å; A1246-R1347 HydrophobicContact CB-CB 4.1Å; A1246-R1347 PolarHBondContact O-N 3.37Å; A1246-S1348 WeakPolarHBondContact CB-O 3.42Å; A1246-H1349 HydrophobicContact CB-CB 3.84Å | ||
| 1247 | A | 85.5 | Confident | 71.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -89.9 | 75.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1241 T1242 A1245 L1346 T1385 | E1241-A1247 HydrophobicContact CB-CB 4.11Å; E1241-A1247 PolarHBondContact O-N 2.66Å; E1241-A1247 VanDerWaalsContact O-N 3.08Å; T1242-A1247 WeakPolarHBondContact CG2-O 3.39Å; A1245-A1247 PolarHBondContact O-N 3.34Å; A1245-A1247 VanDerWaalsContact O-N 3.12Å; A1247-L1346 HydrophobicContact CB-CD2 3.79Å; A1247-T1385 HydrophobicContact CB-CG2 3.57Å |
| 1248 | F | 76 | Confident | 68.3 | Low | 16 Ų | 16 | 50.7 Ų | 50.7 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | trans | -65.7 | 148.9 | -172.6 | -65.5 | -81.7 | 0 | 0 | 0 | 114.6 | P1202 L1205 A1246 R1347 | P1202-F1248 HydrophobicContact CB-CD1 3.94Å; P1202-F1248 HydrophobicContact CB-CD2 4.47Å; P1202-F1248 HydrophobicContact CB-CE1 3.57Å; P1202-F1248 HydrophobicContact CB-CE2 4.15Å; P1202-F1248 HydrophobicContact CB-CG 4.39Å; P1202-F1248 HydrophobicContact CB-CZ 3.69Å; P1202-F1248 HydrophobicContact CG-CD1 3.87Å; P1202-F1248 HydrophobicContact CG-CE1 3.97Å; P1202-F1248 HydrophobicContact CG-CG 4.34Å; L1205-F1248 HydrophobicContact CB-CE1 4.32Å; L1205-F1248 HydrophobicContact CD1-CE1 4.13Å; L1205-F1248 HydrophobicContact CD2-CE1 3.84Å; L1205-F1248 HydrophobicContact CD2-CZ 4.18Å; L1205-F1248 HydrophobicContact CG-CE1 4.33Å; A1246-F1248 HydrophobicContact CB-CE2 3.99Å; A1246-F1248 WeakPolarHBondContact O-CD2 3.34Å; A1246-F1248 WeakPolarHBondContact O-CE2 3.35Å; A1246-F1248 PolarHBondContact O-N 2.61Å; F1248-R1347 HydrophobicContact CD2-CG 4.13Å; F1248-R1347 HydrophobicContact CE2-CB 4.34Å; F1248-R1347 HydrophobicContact CE2-CG 4.27Å | ||
| 1249 | P | 68.4 | Low | 65.4 | Low | 30 Ų | 30 | 54.2 Ų | 54.2 | 20% | 0.195 | 29% | 0.29 | C | S | . | . | trans | -62.8 | 155.8 | 175 | -22.8 | 34.7 | 0 | 0 | 0 | 114.2 | D1251 | P1249-D1251 VanDerWaalsContact C-N 3.28Å; P1249-D1251 PolarHBondContact O-N 2.89Å | ||
| 1250 | S | 59.2 | Low | 62.5 | Low | 45 Ų | 45 | 61.6 Ų | 61.6 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -60.4 | -32.9 | -173.1 | -54.8 | 0 | 0 | 0 | 0 | 114.5 | W1252 R1345 | S1250-W1252 PolarHBondContact O-N 3.32Å; S1250-R1345 PolarHBondContact O-NH1 2.87Å |
| 1251 | D | 53.2 | Low | 59.5 | Low | 117 Ų | 117 | 71.1 Ų | 71.1 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -69.6 | -17.9 | -168.2 | -56.9 | -60.4 | 0 | 0 | 0 | 114 | P1249 E1253 R1254 | P1249-D1251 VanDerWaalsContact C-N 3.28Å; P1249-D1251 PolarHBondContact O-N 2.89Å; D1251-E1253 VanDerWaalsContact C-N 3.3Å; D1251-E1253 PolarHBondContact O-N 3.23Å; D1251-R1254 PolarHBondContact O-N 2.92Å |
| 1252 | W | 53.6 | Low | 56.7 | Low | 68 Ų | 68 | 73.9 Ų | 73.9 | 26% | 0.258 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -66.7 | -27.5 | -170.8 | -147.3 | -76.9 | 0 | 0 | 0 | 114.6 | T1199 M1200 K1201 P1202 S1250 R1254 C1255 | T1199-W1252 WeakPolarHBondContact O-CH2 3.41Å; M1200-W1252 VanDerWaalsContact O-CH2 3.29Å; M1200-W1252 WeakPolarHBondContact O-CH2 3.21Å; M1200-W1252 WeakPolarHBondContact O-CZ3 3.2Å; K1201-W1252 HydrophobicContact CB-CZ2 4.48Å; K1201-W1252 HydrophobicContact CG-CZ2 4.35Å; P1202-W1252 VanDerWaalsContact CD-NE1 3.3Å; P1202-W1252 HydrophobicContact CG-CD2 3.97Å; P1202-W1252 HydrophobicContact CG-CG 3.89Å; S1250-W1252 PolarHBondContact O-N 3.32Å; W1252-R1254 VanDerWaalsContact C-N 3.32Å; W1252-R1254 PolarHBondContact O-N 3.07Å; W1252-C1255 PolarHBondContact O-N 3.12Å |
| 1253 | E | 44.6 | Very low | 53.9 | Low | 76 Ų | 76 | 81.8 Ų | 81.8 | 36% | 0.355 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -68.6 | -30.4 | -179 | -74.1 | 166.8 | -163.6 | 0 | 0 | 112.3 | D1251 C1255 Q1256 R1345 | D1251-E1253 VanDerWaalsContact C-N 3.3Å; D1251-E1253 PolarHBondContact O-N 3.23Å; E1253-C1255 PolarHBondContact O-N 3.45Å; E1253-Q1256 PolarHBondContact O-N 3.3Å; E1253-R1345 WeakPolarHBondContact OE1-CD 3.42Å; E1253-R1345 IonicContact OE1-CZ 2.76Å; E1253-R1345 IonicContact OE1-NE 2.68Å; E1253-R1345 PolarHBondContact OE1-NE 2.81Å; E1253-R1345 IonicContact OE1-NH1 3.85Å; E1253-R1345 PolarHBondContact OE1-NH1 3.43Å; E1253-R1345 VanDerWaalsContact OE1-NH1 3.08Å; E1253-R1345 IonicContact OE1-NH2 3.22Å; E1253-R1345 PolarHBondContact OE1-NH2 3.33Å; E1253-R1345 IonicContact OE2-CZ 2.69Å; E1253-R1345 IonicContact OE2-NE 2.89Å; E1253-R1345 IonicContact OE2-NH1 2.65Å; E1253-R1345 PolarHBondContact OE2-NH1 3.09Å; E1253-R1345 IonicContact OE2-NH2 3.18Å; E1253-R1345 PolarHBondContact OE2-NH2 3.25Å |
| 1254 | R | 42.8 | Very low | 51 | Low | 208 Ų | 208 | 91 Ų | 91 | 79% | 0.785 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -64.6 | -7.9 | 177.7 | -76.9 | -175.9 | 170.1 | 173 | -2.7 | 114.5 | D1251 W1252 | D1251-R1254 PolarHBondContact O-N 2.92Å; W1252-R1254 VanDerWaalsContact C-N 3.32Å; W1252-R1254 PolarHBondContact O-N 3.07Å |
| 1255 | C | 36.7 | Very low | 48.1 | Very low | 98 Ų | 98 | 95.9 Ų | 95.9 | 66% | 0.662 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -105.5 | 12.6 | 176.7 | -65.3 | 0 | 0 | 0 | 0 | 113.7 | W1252 E1253 | W1252-C1255 PolarHBondContact O-N 3.12Å; E1253-C1255 PolarHBondContact O-N 3.45Å |
| 1256 | Q | 38.6 | Very low | 45.3 | Very low | 122 Ų | 122 | 102.7 Ų | 102.7 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -25 | 169.8 | -61.6 | -162.1 | -110.7 | 0 | 0 | 113.3 | E1253 S1258 | E1253-Q1256 PolarHBondContact O-N 3.3Å; Q1256-S1258 PolarHBondContact O-N 3.31Å; Q1256-S1258 VanDerWaalsContact O-N 3.12Å |
| 1257 | D | 32.1 | Very low | 42.7 | Very low | 146 Ų | 146 | 111.4 Ų | 111.4 | 78% | 0.781 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 29.6 | -178 | -58.7 | -25.8 | 0 | 0 | 0 | 114.2 | ||
| 1258 | S | 31.1 | Very low | 40.2 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 25.4 | -176.8 | 80.4 | 0 | 0 | 0 | 0 | 114.3 | Q1256 | Q1256-S1258 PolarHBondContact O-N 3.31Å; Q1256-S1258 VanDerWaalsContact O-N 3.12Å |
| 1259 | S | 29.9 | Very low | 38 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -147.5 | 44.3 | 179 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1260 | D | 30.6 | Very low | 36.2 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | trans | -169.3 | 77.1 | 150.5 | -102.8 | -24.3 | 0 | 0 | 0 | 112 | G1262 | D1260-G1262 VanDerWaalsContact C-N 3.34Š| ||
| 1261 | E | 29.6 | Very low | 34.8 | Very low | 199 Ų | 199 | 136 Ų | 136 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | trans | -100.1 | 61.3 | 151.1 | -78.2 | -151.6 | 145.8 | 0 | 0 | 109.4 | I1263 | E1261-I1263 PolarHBondContact O-N 3.04Å; E1261-I1263 VanDerWaalsContact O-N 3.16Å | ||
| 1262 | G | 33.7 | Very low | 34.1 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | trans | -71.1 | 99.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1260 Q1264 | D1260-G1262 VanDerWaalsContact C-N 3.34Å; G1262-Q1264 PolarHBondContact O-N 3.18Å; G1262-Q1264 VanDerWaalsContact O-N 3.11Å | ||
| 1263 | I | 28.8 | Very low | 33 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -59.4 | 113.5 | 175.7 | -60.2 | 168.4 | 0 | 0 | 0 | 110 | E1261 | E1261-I1263 PolarHBondContact O-N 3.04Å; E1261-I1263 VanDerWaalsContact O-N 3.16Å | ||
| 1264 | Q | 29.9 | Very low | 32.3 | Very low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -148.7 | 133.7 | 156 | -116.4 | 161.1 | 29.8 | 0 | 0 | 112.1 | G1262 | G1262-Q1264 PolarHBondContact O-N 3.18Å; G1262-Q1264 VanDerWaalsContact O-N 3.11Å | ||
| 1265 | S | 29.4 | Very low | 31.7 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -86.8 | 160.2 | 178.4 | -169 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1266 | D | 31 | Very low | 31.5 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -27.5 | 142.9 | 167.4 | -48.1 | -43.9 | 0 | 0 | 0 | 114.5 | ||||
| 1267 | E | 33 | Very low | 31.3 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | -152.8 | 154.5 | 57.7 | -72.7 | 179.1 | 125.1 | 0 | 0 | 116.2 | |||||
| 1268 | D | 32.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | 41.1 | 108.1 | 149.3 | -95.6 | -6.4 | 0 | 0 | 0 | 124.6 | ||||
| 1269 | R | 30 | Very low | 31.4 | Very low | 212 Ų | 212 | 148.3 Ų | 148.3 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | 59.2 | 112.6 | 114.4 | -76.6 | -177.2 | 173.8 | 176.2 | -3.6 | 122.1 | |||||
| 1270 | I | 30.5 | Very low | 31.6 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | 154.7 | 143.5 | 117.5 | -83.7 | 151.1 | 0 | 0 | 0 | 113 | |||||
| 1271 | S | 28.8 | Very low | 31.8 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -99.5 | -179.9 | 178.8 | -4.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1272 | P | 39.9 | Very low | 31.8 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -137.5 | -175.2 | -37.4 | 36.4 | -18 | 0 | 0 | 0 | 114.1 | ||||
| 1273 | S | 28.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 104.2 | 140.2 | 139.8 | 83.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1274 | R | 30.2 | Very low | 32 | Very low | 211 Ų | 211 | 148.5 Ų | 148.5 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 79.8 | 116.5 | 149.8 | -74.9 | -166.2 | 126.8 | 128.4 | 8.3 | 123.9 | ||||
| 1275 | D | 31.7 | Very low | 32.1 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | 76.1 | 108.4 | 119.9 | -56 | -4.2 | 0 | 0 | 0 | 122.3 | |||||
| 1276 | D | 30.8 | Very low | 32.2 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | 104.4 | 138.2 | 123.6 | -151.6 | 23.8 | 0 | 0 | 0 | 120.9 | |||||
| 1277 | R | 35.5 | Very low | 32.2 | Very low | 221 Ų | 221 | 148.2 Ų | 148.2 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | 69 | 137.5 | 168.9 | -65.8 | 157.5 | -146.8 | -157.8 | 2.7 | 120.6 | ||||
| 1278 | G | 30.7 | Very low | 32 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -132.9 | -174.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1279 | Y | 35.1 | Very low | 31.9 | Very low | 228 Ų | 228 | 142.7 Ų | 142.7 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | -151.7 | 164.3 | 166.4 | -140 | -95.6 | 0 | 0 | 0 | 111.4 | ||||
| 1280 | T | 33.8 | Very low | 31.9 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -96 | 156.4 | -165.5 | 53 | 0 | 0 | 0 | 0 | 115 | ||||
| 1281 | S | 34.4 | Very low | 31.9 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -166.4 | 131.8 | 140 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1282 | D | 30.1 | Very low | 32 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -95.5 | 162.7 | 174.1 | -49.3 | -72.4 | 0 | 0 | 0 | 111.9 | ||||
| 1283 | S | 33.2 | Very low | 31.6 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | 169 | 163.9 | 133.8 | -77.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1284 | E | 32.3 | Very low | 31.7 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -115.2 | 169.6 | -166.2 | -76.7 | -168.6 | -78.1 | 0 | 0 | 113 | ||||
| 1285 | V | 32.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | cis | -159 | 138.3 | 1.4 | 112 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1286 | Y | 31.3 | Very low | 31.5 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 61.1 | 167.7 | 163.5 | -71.4 | -128.8 | 0 | 0 | 0 | 116 | ||||
| 1287 | N | 30.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -156.2 | 154.2 | 15.3 | -136.3 | -25.9 | 0 | 0 | 0 | 113.1 | ||||
| 1288 | V | 28.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | 11.4 | 142.6 | 155.9 | 174.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1289 | G | 31 | Very low | 30.9 | Very low | 65 Ų | 65 | 139.4 Ų | 139.4 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | cis | 145.4 | -177.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1290 | R | 30.3 | Very low | 30.6 | Very low | 227 Ų | 227 | 134 Ų | 134 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | 77.2 | 154.1 | 175.7 | -60.8 | -173.5 | 166.2 | -165.4 | -1.6 | 117.6 | ||||
| 1291 | K | 30.3 | Very low | 30.2 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -162.1 | 168.4 | -13.9 | -112.4 | -171.2 | 175 | -157.1 | 0 | 106.8 | ||||
| 1292 | G | 32 | Very low | 29.8 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | -178.1 | -166.1 | 3.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1293 | S | 31 | Very low | 29.8 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | -167 | 171.3 | 2.6 | -159 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1294 | L | 31.4 | Very low | 29.5 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 95.9 | 143.5 | 172.9 | -77 | 64.8 | 0 | 0 | 0 | 116.7 | ||||
| 1295 | D | 28.6 | Very low | 29.2 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | cis | -168.6 | -175.3 | -38.2 | -124.2 | -71.1 | 0 | 0 | 0 | 112.2 | ||||
| 1296 | E | 28.5 | Very low | 29.1 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 73.7 | 144.5 | 174.4 | -66.3 | -156.6 | 118.1 | 0 | 0 | 120.1 | ||||
| 1297 | A | 31.3 | Very low | 29 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 55.8 | 110.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1298 | T | 26.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | cis | 53.6 | 122.9 | 21.1 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1299 | T | 27 | Very low | 28.7 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | cis | -147.4 | 135.4 | 17 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1300 | A | 28.1 | Very low | 28.5 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 93% | 0.934 | 78% | 0.777 | S | S | * | * | trans | -130.9 | 82.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1301 | G | 25.1 | Very low | 28.2 | Very low | 57 Ų | 57 | 130.6 Ų | 130.6 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -174.1 | 86.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1302 | R | 25.5 | Very low | 28 | Very low | 244 Ų | 244 | 131.6 Ų | 131.6 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | 178.5 | 94.3 | 159.8 | -100.9 | 159.9 | -164.1 | -115.4 | 5.4 | 110 | ||||
| 1303 | L | 31.8 | Very low | 27.6 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -136.8 | 1.1 | 168 | -97.4 | 172.1 | 0 | 0 | 0 | 114.2 | ||||
| 1304 | G | 26.5 | Very low | 27.4 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -97.2 | 7.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1305 | Q | 25.8 | Very low | 27.2 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -146.5 | 88.3 | -178.4 | -75 | -173.1 | -21.9 | 0 | 0 | 112.2 | ||||
| 1306 | R | 28.5 | Very low | 27.2 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -169.2 | 72.8 | 153.1 | -112.6 | 171.1 | -174 | -160.8 | -2.9 | 112.3 | ||||
| 1307 | A | 29.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -124.4 | 17 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1308 | S | 26.4 | Very low | 26.9 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -164.3 | 96.8 | 177.6 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1309 | S | 27.4 | Very low | 26.8 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 166.5 | 140.9 | 157.3 | 30.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1310 | G | 27.3 | Very low | 27 | Very low | 64 Ų | 64 | 138.2 Ų | 138.2 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | -76.2 | -173.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1311 | E | 23.1 | Very low | 26.9 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | 52 | 73.6 | 165.3 | -58.3 | -164.5 | 135.9 | 0 | 0 | 116.5 | ||||
| 1312 | W | 26.5 | Very low | 26.9 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -119.9 | 113.9 | 136 | -83 | 77.5 | 0 | 0 | 0 | 109.7 | F1314 | W1312-F1314 VanDerWaalsContact C-N 3.31Å; W1312-F1314 PolarHBondContact O-N 3.47Å | ||
| 1313 | L | 24.4 | Very low | 27.1 | Very low | 150 Ų | 150 | 135 Ų | 135 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -57.7 | 101.2 | 158.1 | -91.1 | 78.6 | 0 | 0 | 0 | 107.3 | V1315 | L1313-V1315 PolarHBondContact O-N 2.88Š| ||
| 1314 | F | 27.2 | Very low | 26.9 | Very low | 191 Ų | 191 | 133 Ų | 133 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -65.2 | 115.1 | 140.2 | -109.6 | -86.5 | 0 | 0 | 0 | 106.1 | W1312 V1316 | W1312-F1314 VanDerWaalsContact C-N 3.31Å; W1312-F1314 PolarHBondContact O-N 3.47Å; F1314-V1316 VanDerWaalsContact C-N 3.27Å; F1314-V1316 PolarHBondContact O-N 3.39Å | ||
| 1315 | V | 26.3 | Very low | 27.1 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -61 | 99.4 | 167.5 | 173.8 | 0 | 0 | 0 | 0 | 106.2 | L1313 K1317 | L1313-V1315 PolarHBondContact O-N 2.88Å; V1315-K1317 HydrophobicContact CG1-CB 4.16Å; V1315-K1317 HydrophobicContact CG1-CG 4.35Å; V1315-K1317 PolarHBondContact O-N 3.03Å | ||
| 1316 | V | 28.2 | Very low | 27.3 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | -62.9 | 86.1 | 158.2 | 177.2 | 0 | 0 | 0 | 0 | 104.9 | F1314 K1318 | F1314-V1316 VanDerWaalsContact C-N 3.27Å; F1314-V1316 PolarHBondContact O-N 3.39Å; V1316-K1318 PolarHBondContact O-N 3.01Å | ||
| 1317 | K | 26.7 | Very low | 27.5 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 65% | 0.648 | 71% | 0.713 | S | S | * | * | trans | -67.1 | 103.4 | 178.4 | -149.8 | -179.5 | -174.1 | -172.2 | 0 | 105.3 | V1315 D1319 A1320 | V1315-K1317 HydrophobicContact CG1-CB 4.16Å; V1315-K1317 HydrophobicContact CG1-CG 4.35Å; V1315-K1317 PolarHBondContact O-N 3.03Å; K1317-D1319 PolarHBondContact O-N 3.38Å; K1317-A1320 PolarHBondContact O-N 2.87Å; K1317-A1320 VanDerWaalsContact O-N 3.12Å | ||
| 1318 | K | 27.6 | Very low | 27.6 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -10.5 | -171 | -143 | 171 | -178.3 | 180 | 0 | 112.3 | V1316 | V1316-K1318 PolarHBondContact O-N 3.01Š|
| 1319 | D | 25 | Very low | 28 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 30.2 | -179 | -31.8 | -74 | 0 | 0 | 0 | 112 | K1317 S1321 | K1317-D1319 PolarHBondContact O-N 3.38Å; D1319-S1321 PolarHBondContact O-N 2.75Å |
| 1320 | A | 29.3 | Very low | 28.5 | Very low | 84 Ų | 84 | 124.2 Ų | 124.2 | 69% | 0.694 | 69% | 0.688 | S | S | * | * | trans | -78.4 | 10.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1317 L1322 | K1317-A1320 PolarHBondContact O-N 2.87Å; K1317-A1320 VanDerWaalsContact O-N 3.12Å; A1320-L1322 PolarHBondContact O-N 3.39Å | ||
| 1321 | S | 26.7 | Very low | 29 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | trans | -70.7 | 50.6 | 160.7 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | D1319 P1323 | D1319-S1321 PolarHBondContact O-N 2.75Å; S1321-P1323 WeakPolarHBondContact O-CD 3.37Å | ||
| 1322 | L | 24.9 | Very low | 29.9 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | trans | -71.8 | 119.3 | 152.9 | -81.7 | 171 | 0 | 0 | 0 | 106 | A1320 V1324 | A1320-L1322 PolarHBondContact O-N 3.39Å; L1322-V1324 VanDerWaalsContact C-N 3.34Å; L1322-V1324 PolarHBondContact O-N 3Å | ||
| 1323 | P | 29.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | trans | -64.3 | 104.6 | 162.5 | 28.4 | -31 | 0 | 0 | 0 | 106.8 | S1321 D1325 | S1321-P1323 WeakPolarHBondContact O-CD 3.37Å; P1323-D1325 VanDerWaalsContact C-N 3.29Å; P1323-D1325 PolarHBondContact O-N 3.15Å; P1323-D1325 VanDerWaalsContact O-N 3.08Å | ||
| 1324 | V | 29.1 | Very low | 31.8 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 75% | 0.745 | 64% | 0.643 | S | S | * | * | trans | -62.2 | 106.5 | 146.5 | 177.5 | 0 | 0 | 0 | 0 | 104 | L1322 S1326 | L1322-V1324 VanDerWaalsContact C-N 3.34Å; L1322-V1324 PolarHBondContact O-N 3Å; V1324-S1326 PolarHBondContact O-N 3.1Å | ||
| 1325 | D | 29.9 | Very low | 32.9 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | trans | -66.6 | 78.4 | 170.6 | -106.6 | -62.2 | 0 | 0 | 0 | 107.9 | P1323 K1327 | P1323-D1325 VanDerWaalsContact C-N 3.29Å; P1323-D1325 PolarHBondContact O-N 3.15Å; P1323-D1325 VanDerWaalsContact O-N 3.08Å; D1325-K1327 PolarHBondContact O-N 3.21Å; D1325-K1327 WeakPolarHBondContact OD1-CD 3.41Å; D1325-K1327 WeakPolarHBondContact OD1-CE 3.48Å; D1325-K1327 IonicContact OD1-NZ 3.72Å; D1325-K1327 PolarHBondContact OD1-NZ 3.17Å | ||
| 1326 | S | 30.8 | Very low | 34.1 | Very low | 83 Ų | 83 | 110.8 Ų | 110.8 | 58% | 0.58 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 14 | -179 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | V1324 D1328 S1330 | V1324-S1326 PolarHBondContact O-N 3.1Å; S1326-D1328 PolarHBondContact O-N 3.21Å; S1326-S1330 PolarHBondContact O-OG 2.72Å |
| 1327 | K | 31.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 106.5 Ų | 106.5 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -28.9 | 169 | -66.8 | 177.3 | -175.4 | 132.5 | 0 | 111.8 | D1325 S1330 Q1331 | D1325-K1327 PolarHBondContact O-N 3.21Å; D1325-K1327 WeakPolarHBondContact OD1-CD 3.41Å; D1325-K1327 WeakPolarHBondContact OD1-CE 3.48Å; D1325-K1327 IonicContact OD1-NZ 3.72Å; D1325-K1327 PolarHBondContact OD1-NZ 3.17Å; K1327-S1330 PolarHBondContact O-OG 3.03Å; K1327-S1330 VanDerWaalsContact O-OG 3.11Å; K1327-Q1331 WeakPolarHBondContact O-CG 3.47Å; K1327-Q1331 PolarHBondContact O-NE2 3.25Å |
| 1328 | D | 31.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 105.5 Ų | 105.5 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -36.3 | -173.1 | -69 | -10.5 | 0 | 0 | 0 | 113.6 | S1326 S1330 Q1331 | S1326-D1328 PolarHBondContact O-N 3.21Å; D1328-S1330 PolarHBondContact O-N 3.13Å; D1328-Q1331 PolarHBondContact O-N 3.11Å; D1328-Q1331 VanDerWaalsContact O-N 3.1Å; D1328-Q1331 PolarHBondContact OD1-NE2 3.14Å |
| 1329 | A | 34.8 | Very low | 38.3 | Very low | 86 Ų | 86 | 104.4 Ų | 104.4 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -28.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1330 | S | 37.4 | Very low | 40.5 | Very low | 71 Ų | 71 | 99.1 Ų | 99.1 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.8 | 177.4 | 51 | 0 | 0 | 0 | 0 | 114.1 | S1326 K1327 D1328 | S1326-S1330 PolarHBondContact O-OG 2.72Å; K1327-S1330 PolarHBondContact O-OG 3.03Å; K1327-S1330 VanDerWaalsContact O-OG 3.11Å; D1328-S1330 PolarHBondContact O-N 3.13Å |
| 1331 | Q | 37.5 | Very low | 42.2 | Very low | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -31.7 | -178 | -79.9 | 175.7 | 76.7 | 0 | 0 | 113.6 | K1327 D1328 R1333 R1334 | K1327-Q1331 WeakPolarHBondContact O-CG 3.47Å; K1327-Q1331 PolarHBondContact O-NE2 3.25Å; D1328-Q1331 PolarHBondContact O-N 3.11Å; D1328-Q1331 VanDerWaalsContact O-N 3.1Å; D1328-Q1331 PolarHBondContact OD1-NE2 3.14Å; Q1331-R1333 PolarHBondContact O-N 2.92Å; Q1331-R1333 VanDerWaalsContact O-N 3.15Å; Q1331-R1334 PolarHBondContact O-N 2.85Å |
| 1332 | Q | 42 | Very low | 44 | Very low | 151 Ų | 151 | 94.8 Ų | 94.8 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.1 | -174.9 | -71.9 | -169.6 | -15.7 | 0 | 0 | 115.6 | ||
| 1333 | R | 47.5 | Very low | 45.4 | Very low | 78 Ų | 78 | 98.9 Ų | 98.9 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 4.1 | 177 | -70.8 | -171.3 | 173.1 | -160.8 | -0.8 | 114.5 | E1241 Q1331 | E1241-R1333 IonicContact OE1-NH1 3.54Å; E1241-R1333 IonicContact OE2-CZ 3.53Å; E1241-R1333 IonicContact OE2-NH1 2.7Å; E1241-R1333 PolarHBondContact OE2-NH1 2.71Å; Q1331-R1333 PolarHBondContact O-N 2.92Å; Q1331-R1333 VanDerWaalsContact O-N 3.15Å |
| 1334 | R | 45 | Very low | 46.7 | Very low | 179 Ų | 179 | 95.2 Ų | 95.2 | 68% | 0.675 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -71.8 | 135.4 | 175.1 | -68.3 | 178.5 | 173.2 | 169.1 | -3.5 | 110 | Q1331 S1336 | Q1331-R1334 PolarHBondContact O-N 2.85Å; R1334-S1336 PolarHBondContact O-N 2.84Å |
| 1335 | F | 49.6 | Very low | 48.3 | Very low | 28 Ų | 28 | 94.3 Ų | 94.3 | 12% | 0.123 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 136.2 | 166.2 | -89.6 | -135.9 | 0 | 0 | 0 | 108.4 | A1337 R1339 L1340 L1342 R1384 Q1499 | F1335-A1337 PolarHBondContact O-N 3.05Å; F1335-R1339 WeakPolarHBondContact CD1-O 3.49Å; F1335-L1340 VanDerWaalsContact CE1-C 3.5Å; F1335-L1340 WeakPolarHBondContact CE1-O 3.43Å; F1335-L1342 HydrophobicContact CD2-CB 4.37Å; F1335-L1342 HydrophobicContact CD2-CD1 3.85Å; F1335-L1342 HydrophobicContact CE2-CB 3.56Å; F1335-L1342 HydrophobicContact CE2-CD1 3.66Å; F1335-L1342 HydrophobicContact CE2-CD2 4.4Å; F1335-L1342 HydrophobicContact CE2-CG 4.03Å; F1335-L1342 HydrophobicContact CZ-CB 3.88Å; F1335-R1384 VanDerWaalsContact CD2-CZ 3.42Å; F1335-R1384 VanDerWaalsContact CD2-NH1 3.28Å; F1335-R1384 VanDerWaalsContact CD2-NH2 3.25Å; F1335-Q1499 HydrophobicContact CD1-CB 4.27Å; F1335-Q1499 HydrophobicContact CD1-CG 4.48Å; F1335-Q1499 HydrophobicContact CE1-CB 3.95Å |
| 1336 | S | 52.5 | Low | 50.4 | Low | 76 Ų | 76 | 90.9 Ų | 90.9 | 53% | 0.531 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 131.9 | 162.5 | 65 | 0 | 0 | 0 | 0 | 107.5 | R1334 N1338 R1339 | R1334-S1336 PolarHBondContact O-N 2.84Å; S1336-N1338 PolarHBondContact O-N 2.71Å; S1336-R1339 PolarHBondContact O-N 3.44Å; S1336-R1339 VanDerWaalsContact O-N 3.08Å |
| 1337 | A | 53.1 | Low | 52.6 | Low | 41 Ų | 41 | 91.5 Ų | 91.5 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -32.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1335 N1543 | F1335-A1337 PolarHBondContact O-N 3.05Å; A1337-N1543 WeakPolarHBondContact O-CA 3.43Å |
| 1338 | N | 54.7 | Low | 54.8 | Low | 128 Ų | 128 | 86.6 Ų | 86.6 | 68% | 0.684 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4.7 | -171.6 | -52.1 | 10.6 | 0 | 0 | 0 | 114.4 | S1336 | S1336-N1338 PolarHBondContact O-N 2.71Š|
| 1339 | R | 62.7 | Low | 57.4 | Low | 166 Ų | 166 | 82 Ų | 82 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | trans | -141.5 | 136.7 | 178.3 | -76.4 | -172.2 | 162.6 | 168.7 | -6.5 | 113.3 | F1335 S1336 L1341 | F1335-R1339 WeakPolarHBondContact CD1-O 3.49Å; S1336-R1339 PolarHBondContact O-N 3.44Å; S1336-R1339 VanDerWaalsContact O-N 3.08Å; R1339-L1341 VanDerWaalsContact C-N 3.28Å; R1339-L1341 PolarHBondContact O-N 3.12Å | ||
| 1340 | L | 70.7 | Confident | 59.8 | Low | 9 Ų | 9 | 79.3 Ų | 79.3 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | trans | -79.1 | -0.8 | 177.6 | -64.1 | 177.5 | 0 | 0 | 0 | 115 | F1335 Q1499 A1502 R1503 F1506 P1547 L1548 | F1335-L1340 VanDerWaalsContact CE1-C 3.5Å; F1335-L1340 WeakPolarHBondContact CE1-O 3.43Å; L1340-Q1499 HydrophobicContact CD2-CB 3.9Å; L1340-Q1499 HydrophobicContact CD2-CG 3.8Å; L1340-A1502 HydrophobicContact CD1-CB 3.72Å; L1340-A1502 HydrophobicContact CD2-CB 4.14Å; L1340-R1503 WeakPolarHBondContact O-CD 3.29Å; L1340-F1506 HydrophobicContact CD1-CE2 3.72Å; L1340-F1506 HydrophobicContact CD1-CZ 4.33Å; L1340-P1547 HydrophobicContact CD1-CB 4.22Å; L1340-P1547 HydrophobicContact CD2-CB 4Å; L1340-P1547 HydrophobicContact CG-CB 3.62Å; L1340-L1548 HydrophobicContact CD1-CB 4.04Å | ||
| 1341 | L | 65.7 | Low | 62.1 | Low | 80 Ų | 80 | 77.7 Ų | 77.7 | 42% | 0.419 | 36% | 0.359 | S | S | . | . | trans | -95.8 | 112.3 | -171 | -166.5 | 154.8 | 0 | 0 | 0 | 110.5 | R1339 R1343 | R1339-L1341 VanDerWaalsContact C-N 3.28Å; R1339-L1341 PolarHBondContact O-N 3.12Å; L1341-R1343 HydrophobicContact CD2-CG 3.52Å; L1341-R1343 PolarHBondContact O-N 3.48Å; L1341-R1343 VanDerWaalsContact O-N 3.08Å | ||
| 1342 | L | 63.8 | Low | 64.5 | Low | 11 Ų | 11 | 77.9 Ų | 77.9 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | trans | -75 | 93.7 | 175.1 | -179.6 | 63.8 | 0 | 0 | 0 | 110 | F1335 S1344 R1384 E1388 | F1335-L1342 HydrophobicContact CD2-CB 4.37Å; F1335-L1342 HydrophobicContact CD2-CD1 3.85Å; F1335-L1342 HydrophobicContact CE2-CB 3.56Å; F1335-L1342 HydrophobicContact CE2-CD1 3.66Å; F1335-L1342 HydrophobicContact CE2-CD2 4.4Å; F1335-L1342 HydrophobicContact CE2-CG 4.03Å; F1335-L1342 HydrophobicContact CZ-CB 3.88Å; L1342-S1344 PolarHBondContact O-N 3.29Å; L1342-R1384 HydrophobicContact CD2-CB 4.23Å; L1342-E1388 HydrophobicContact CB-CG 4.43Å | ||
| 1343 | R | 53.3 | Low | 66.8 | Low | 232 Ų | 232 | 70.7 Ų | 70.7 | 88% | 0.875 | 33% | 0.326 | S | S | * | . | trans | -72.5 | 63.9 | 165 | -76.1 | -161 | 171.2 | -173.2 | -3.7 | 111.6 | L1341 | L1341-R1343 HydrophobicContact CD2-CG 3.52Å; L1341-R1343 PolarHBondContact O-N 3.48Å; L1341-R1343 VanDerWaalsContact O-N 3.08Å | ||
| 1344 | S | 56.6 | Low | 68.9 | Low | 25 Ų | 25 | 67 Ų | 67 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | trans | -74.8 | 154.2 | 151.7 | 59.5 | 0 | 0 | 0 | 0 | 108.7 | L1342 L1346 | L1342-S1344 PolarHBondContact O-N 3.29Å; S1344-L1346 PolarHBondContact O-N 3.22Å; S1344-L1346 WeakPolarHBondContact OG-CD2 3.43Å; S1344-L1346 WeakPolarHBondContact OG-CG 3.3Å | ||
| 1345 | R | 62.6 | Low | 71.2 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | trans | -84.2 | 53.9 | -172.2 | -66.3 | 172.3 | 173.1 | -171 | -14.5 | 111.7 | S1250 E1253 | S1250-R1345 PolarHBondContact O-NH1 2.87Å; E1253-R1345 WeakPolarHBondContact OE1-CD 3.42Å; E1253-R1345 IonicContact OE1-CZ 2.76Å; E1253-R1345 IonicContact OE1-NE 2.68Å; E1253-R1345 PolarHBondContact OE1-NE 2.81Å; E1253-R1345 IonicContact OE1-NH1 3.85Å; E1253-R1345 PolarHBondContact OE1-NH1 3.43Å; E1253-R1345 VanDerWaalsContact OE1-NH1 3.08Å; E1253-R1345 IonicContact OE1-NH2 3.22Å; E1253-R1345 PolarHBondContact OE1-NH2 3.33Å; E1253-R1345 IonicContact OE2-CZ 2.69Å; E1253-R1345 IonicContact OE2-NE 2.89Å; E1253-R1345 IonicContact OE2-NH1 2.65Å; E1253-R1345 PolarHBondContact OE2-NH1 3.09Å; E1253-R1345 IonicContact OE2-NH2 3.18Å; E1253-R1345 PolarHBondContact OE2-NH2 3.25Å | ||
| 1346 | L | 74.1 | Confident | 73.3 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 132.7 | -179.8 | -54.9 | 174.8 | 0 | 0 | 0 | 110.2 | A1245 A1247 S1344 T1385 E1388 A1389 Y1397 | A1245-L1346 HydrophobicContact CB-CD2 4.29Å; A1245-L1346 WeakPolarHBondContact O-CD2 3.4Å; A1247-L1346 HydrophobicContact CB-CD2 3.79Å; S1344-L1346 PolarHBondContact O-N 3.22Å; S1344-L1346 WeakPolarHBondContact OG-CD2 3.43Å; S1344-L1346 WeakPolarHBondContact OG-CG 3.3Å; L1346-T1385 HydrophobicContact CD2-CG2 3.94Å; L1346-E1388 HydrophobicContact CD1-CB 4.01Å; L1346-E1388 HydrophobicContact CD1-CG 3.83Å; L1346-A1389 HydrophobicContact CD1-CB 4.25Å; L1346-A1389 HydrophobicContact CD2-CB 4.46Å; L1346-Y1397 HydrophobicContact CB-CD1 4.21Å; L1346-Y1397 HydrophobicContact CB-CE1 3.73Å; L1346-Y1397 HydrophobicContact CD1-CE1 4.42Å; L1346-Y1397 HydrophobicContact CD1-CE2 4.33Å |
| 1347 | R | 77 | Confident | 75.3 | Confident | 97 Ų | 97 | 56.7 Ų | 56.7 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | trans | -116.9 | -172.5 | 172.9 | -57.8 | -172.9 | 177.2 | -164.4 | -3.9 | 109.4 | A1246 F1248 | A1246-R1347 HydrophobicContact CB-CB 4.1Å; A1246-R1347 PolarHBondContact O-N 3.37Å; F1248-R1347 HydrophobicContact CD2-CG 4.13Å; F1248-R1347 HydrophobicContact CE2-CB 4.34Å; F1248-R1347 HydrophobicContact CE2-CG 4.27Å | ||
| 1348 | S | 79 | Confident | 77.3 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 22% | 0.217 | 25% | 0.25 | C | C | . | . | trans | -58.6 | 133.8 | 166.3 | 39.5 | 0 | 0 | 0 | 0 | 111 | L1206 A1246 Y1397 S1401 | L1206-S1348 VanDerWaalsContact CD1-O 3.32Å; L1206-S1348 WeakPolarHBondContact CD1-O 3.47Å; A1246-S1348 WeakPolarHBondContact CB-O 3.42Å; S1348-Y1397 WeakPolarHBondContact CA-O 3.21Å; S1348-Y1397 WeakPolarHBondContact CB-O 3.38Å; S1348-S1401 PolarHBondContact OG-OG 3.33Å; S1348-S1401 VanDerWaalsContact OG-OG 3.06Å | ||
| 1349 | H | 85.9 | Confident | 79.1 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | trans | -124.1 | 155.4 | -179 | 61.1 | -102.4 | 0 | 0 | 0 | 112.1 | A1246 P1351 Y1354 Y1454 | A1246-H1349 HydrophobicContact CB-CB 3.84Å; H1349-P1351 WeakPolarHBondContact O-CD 3.49Å; H1349-Y1354 AromaticContact NE2-CD2 3.7Å; H1349-Y1354 AromaticContact NE2-CG 3.91Å; H1349-Y1454 PolarHBondContact CD2-OH 3.36Å; H1349-Y1454 AromaticContact NE2-CE1 3.97Å; H1349-Y1454 AromaticContact NE2-CZ 3.84Å; H1349-Y1454 PolarHBondContact NE2-OH 3.16Å | ||
| 1350 | D | 86 | Confident | 80.6 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | trans | -74.2 | 126 | 176.2 | 178.5 | -97 | 0 | 0 | 0 | 110.7 | A1209 R1210 Q1352 A1353 Y1354 | A1209-D1350 HydrophobicContact CB-CB 4.47Å; R1210-D1350 IonicContact CZ-OD1 3.44Å; R1210-D1350 IonicContact CZ-OD2 3.22Å; R1210-D1350 IonicContact NE-OD1 2.7Å; R1210-D1350 PolarHBondContact NE-OD1 2.88Å; R1210-D1350 VanDerWaalsContact NE-OD1 3.16Å; R1210-D1350 IonicContact NE-OD2 3.32Å; R1210-D1350 IonicContact NH2-OD1 3.33Å; R1210-D1350 IonicContact NH2-OD2 2.76Å; R1210-D1350 PolarHBondContact NH2-OD2 3.08Å; D1350-Q1352 VanDerWaalsContact C-N 3.29Å; D1350-Q1352 PolarHBondContact O-N 2.91Å; D1350-Q1352 WeakPolarHBondContact OD1-CA 3.28Å; D1350-Q1352 WeakPolarHBondContact OD1-CB 3.36Å; D1350-Q1352 PolarHBondContact OD1-N 3.34Å; D1350-A1353 HydrophobicContact CB-CB 3.89Å; D1350-A1353 PolarHBondContact O-N 3.25Å; D1350-A1353 PolarHBondContact OD1-N 3.41Å; D1350-Y1354 PolarHBondContact O-N 3.3Å | ||
| 1351 | P | 84.7 | Confident | 81.8 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -32.5 | -177.8 | -28 | 36.4 | 0 | 0 | 0 | 114.5 | H1349 V1355 M1398 Y1454 | H1349-P1351 WeakPolarHBondContact O-CD 3.49Å; P1351-V1355 WeakPolarHBondContact O-CG2 3.39Å; P1351-V1355 PolarHBondContact O-N 2.74Å; P1351-V1355 VanDerWaalsContact O-N 3.1Å; P1351-M1398 HydrophobicContact CG-CE 4.09Å; P1351-Y1454 HydrophobicContact CB-CE2 4.34Å |
| 1352 | Q | 87.3 | Confident | 83.1 | Confident | 98 Ų | 98 | 41.2 Ų | 41.2 | 46% | 0.458 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -77.9 | -34.6 | 179.6 | -62 | -174.6 | -16.2 | 0 | 0 | 111.3 | R1210 D1350 K1356 | R1210-Q1352 VanDerWaalsContact CD-OE1 3.26Å; R1210-Q1352 HydrophobicContact CG-CB 4.2Å; R1210-Q1352 VanDerWaalsContact NE-OE1 3.14Å; D1350-Q1352 VanDerWaalsContact C-N 3.29Å; D1350-Q1352 PolarHBondContact O-N 2.91Å; D1350-Q1352 WeakPolarHBondContact OD1-CA 3.28Å; D1350-Q1352 WeakPolarHBondContact OD1-CB 3.36Å; D1350-Q1352 PolarHBondContact OD1-N 3.34Å; Q1352-K1356 WeakPolarHBondContact O-CB 3.29Å; Q1352-K1356 PolarHBondContact O-N 2.72Å |
| 1353 | A | 90.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1209 A1213 D1350 V1355 K1356 C1357 | A1209-A1353 HydrophobicContact CB-CB 4.09Å; A1213-A1353 HydrophobicContact CB-CB 3.83Å; D1350-A1353 HydrophobicContact CB-CB 3.89Å; D1350-A1353 PolarHBondContact O-N 3.25Å; D1350-A1353 PolarHBondContact OD1-N 3.41Å; A1353-V1355 PolarHBondContact O-N 3.09Å; A1353-K1356 PolarHBondContact O-N 3.28Å; A1353-C1357 WeakPolarHBondContact O-CB 3.48Å; A1353-C1357 PolarHBondContact O-N 2.83Å; A1353-C1357 PolarHBondContact O-SG 3.05Å; A1353-C1357 VanDerWaalsContact O-SG 3.35Å |
| 1354 | Y | 92.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | 175.6 | 179.2 | -86.8 | 0 | 0 | 0 | 111.9 | G1244 H1349 D1350 K1356 C1357 C1358 F1386 A1389 G1390 Y1454 L1457 L1461 | G1244-Y1354 WeakPolarHBondContact O-CA 3.45Å; G1244-Y1354 WeakPolarHBondContact O-CB 3.34Å; G1244-Y1354 WeakPolarHBondContact O-CD2 3.16Å; H1349-Y1354 AromaticContact NE2-CD2 3.7Å; H1349-Y1354 AromaticContact NE2-CG 3.91Å; D1350-Y1354 PolarHBondContact O-N 3.3Å; Y1354-K1356 PolarHBondContact O-N 2.84Å; Y1354-C1357 PolarHBondContact O-N 3.49Å; Y1354-C1358 VanDerWaalsContact CE1-SG 3.57Å; Y1354-C1358 PolarHBondContact O-N 2.92Å; Y1354-C1358 PolarHBondContact O-SG 3.06Å; Y1354-F1386 AromaticContact CD2-CD1 3.86Å; Y1354-F1386 HydrophobicContact CD2-CD1 3.86Å; Y1354-F1386 HydrophobicContact CD2-CE1 4.01Å; Y1354-F1386 AromaticContact CE2-CD1 3.63Å; Y1354-F1386 HydrophobicContact CE2-CD1 3.63Å; Y1354-F1386 HydrophobicContact CE2-CE1 4.25Å; Y1354-F1386 PolarHBondContact OH-O 3.34Å; Y1354-A1389 HydrophobicContact CE2-CB 4.17Å; Y1354-G1390 VanDerWaalsContact OH-CA 3.28Å; Y1354-G1390 WeakPolarHBondContact OH-CA 3.46Å; Y1354-Y1454 AromaticContact CD1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CD1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CD1-CE2 4.28Å; Y1354-Y1454 AromaticContact CD1-CZ 3.75Å; Y1354-Y1454 HydrophobicContact CE1-CD1 4.17Å; Y1354-Y1454 AromaticContact CE1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CE1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CG-CE1 4.27Å; Y1354-L1457 HydrophobicContact CD1-CD1 3.98Å; Y1354-L1457 HydrophobicContact CE1-CB 4.33Å; Y1354-L1457 HydrophobicContact CE1-CD1 3.79Å; Y1354-L1461 VanDerWaalsContact OH-CD1 3.31Å; Y1354-L1461 WeakPolarHBondContact OH-CD1 3.4Å |
| 1355 | V | 92.1 | Very high | 87.9 | Confident | 35 Ų | 35 | 31.4 Ų | 31.4 | 21% | 0.212 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | P1351 A1353 C1357 C1358 E1359 I1453 L1457 | P1351-V1355 WeakPolarHBondContact O-CG2 3.39Å; P1351-V1355 PolarHBondContact O-N 2.74Å; P1351-V1355 VanDerWaalsContact O-N 3.1Å; A1353-V1355 PolarHBondContact O-N 3.09Å; V1355-C1357 PolarHBondContact O-N 3.43Å; V1355-C1358 WeakPolarHBondContact O-CB 3.44Å; V1355-C1358 PolarHBondContact O-N 3.33Å; V1355-C1358 VanDerWaalsContact O-N 3.09Å; V1355-E1359 PolarHBondContact O-N 3.47Å; V1355-I1453 HydrophobicContact CG2-CG2 3.56Å; V1355-L1457 HydrophobicContact CB-CD1 4.16Å; V1355-L1457 HydrophobicContact CG1-CD1 4.4Å; V1355-L1457 HydrophobicContact CG2-CD1 3.73Å |
| 1356 | K | 93.6 | Very high | 89.3 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 13% | 0.13 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.9 | -34.8 | -175.6 | -160.9 | 73.6 | -169.5 | 154.7 | 0 | 112.9 | A1213 F1214 H1217 Q1352 A1353 Y1354 E1359 T1360 | A1213-K1356 HydrophobicContact CB-CB 4.39Å; F1214-K1356 HydrophobicContact CB-CG 4.42Å; F1214-K1356 HydrophobicContact CD1-CD 3.84Å; F1214-K1356 HydrophobicContact CD1-CG 4.12Å; F1214-K1356 HydrophobicContact CD2-CB 3.77Å; F1214-K1356 HydrophobicContact CD2-CD 4.07Å; F1214-K1356 HydrophobicContact CD2-CG 3.55Å; F1214-K1356 HydrophobicContact CE1-CD 3.78Å; F1214-K1356 HydrophobicContact CE1-CG 4.35Å; F1214-K1356 HydrophobicContact CE2-CB 3.67Å; F1214-K1356 HydrophobicContact CE2-CD 3.99Å; F1214-K1356 HydrophobicContact CE2-CG 3.79Å; F1214-K1356 HydrophobicContact CG-CB 4.47Å; F1214-K1356 HydrophobicContact CG-CD 4.02Å; F1214-K1356 HydrophobicContact CG-CG 3.75Å; F1214-K1356 HydrophobicContact CZ-CB 4.32Å; F1214-K1356 HydrophobicContact CZ-CD 3.86Å; F1214-K1356 HydrophobicContact CZ-CG 4.2Å; H1217-K1356 HydrophobicContact CB-CG 4.1Å; H1217-K1356 WeakPolarHBondContact CD2-CE 3.35Å; H1217-K1356 PolarHBondContact CD2-NZ 2.96Å; H1217-K1356 PolarHBondContact CE1-NZ 3.41Å; H1217-K1356 PolarHBondContact NE2-NZ 3.42Å; H1217-K1356 VanDerWaalsContact NE2-NZ 3.13Å; Q1352-K1356 WeakPolarHBondContact O-CB 3.29Å; Q1352-K1356 PolarHBondContact O-N 2.72Å; A1353-K1356 PolarHBondContact O-N 3.28Å; Y1354-K1356 PolarHBondContact O-N 2.84Å; K1356-E1359 WeakPolarHBondContact CD-OE2 3.5Å; K1356-E1359 IonicContact NZ-OE2 3.42Å; K1356-E1359 PolarHBondContact NZ-OE2 2.85Å; K1356-E1359 PolarHBondContact O-N 2.79Å; K1356-T1360 PolarHBondContact O-N 3.49Å; K1356-T1360 PolarHBondContact O-OG1 3.4Å |
| 1357 | C | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -38 | 170.6 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | L1240 A1353 Y1354 V1355 T1360 L1361 F1386 | L1240-C1357 HydrophobicContact CD2-CB 4.1Å; L1240-C1357 VanDerWaalsContact CD2-SG 3.56Å; A1353-C1357 WeakPolarHBondContact O-CB 3.48Å; A1353-C1357 PolarHBondContact O-N 2.83Å; A1353-C1357 PolarHBondContact O-SG 3.05Å; A1353-C1357 VanDerWaalsContact O-SG 3.35Å; Y1354-C1357 PolarHBondContact O-N 3.49Å; V1355-C1357 PolarHBondContact O-N 3.43Å; C1357-T1360 WeakPolarHBondContact O-CB 3.47Å; C1357-T1360 PolarHBondContact O-N 3.27Å; C1357-T1360 VanDerWaalsContact O-N 3.15Å; C1357-L1361 WeakPolarHBondContact O-CG 3.38Å; C1357-L1361 PolarHBondContact O-N 2.93Å; C1357-F1386 HydrophobicContact CB-CE1 3.42Å; C1357-F1386 VanDerWaalsContact CB-CE1 3.42Å; C1357-F1386 HydrophobicContact CB-CE2 4.31Å; C1357-F1386 HydrophobicContact CB-CZ 3.25Å |
| 1358 | C | 94.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 112.8 | Y1354 V1355 T1360 L1361 T1362 L1457 | Y1354-C1358 VanDerWaalsContact CE1-SG 3.57Å; Y1354-C1358 PolarHBondContact O-N 2.92Å; Y1354-C1358 PolarHBondContact O-SG 3.06Å; V1355-C1358 WeakPolarHBondContact O-CB 3.44Å; V1355-C1358 PolarHBondContact O-N 3.33Å; V1355-C1358 VanDerWaalsContact O-N 3.09Å; C1358-T1360 VanDerWaalsContact C-N 3.27Å; C1358-T1360 PolarHBondContact O-N 3.39Å; C1358-L1361 PolarHBondContact O-N 2.93Å; C1358-T1362 WeakPolarHBondContact O-CB 3.48Å; C1358-T1362 PolarHBondContact O-N 3.45Å; C1358-T1362 PolarHBondContact O-OG1 3.12Å; C1358-L1457 HydrophobicContact CB-CD1 4.09Å; C1358-L1457 HydrophobicContact CB-CD2 3.8Å; C1358-L1457 HydrophobicContact CB-CG 4.43Å |
| 1359 | E | 94 | Very high | 89.8 | Confident | 78 Ų | 78 | 36.6 Ų | 36.6 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 169.7 | -70.5 | 179.6 | -170 | 0 | 0 | 111.7 | H1217 V1355 K1356 T1362 F1363 | H1217-E1359 IonicContact CE1-OE2 3.7Å; V1355-E1359 PolarHBondContact O-N 3.47Å; K1356-E1359 WeakPolarHBondContact CD-OE2 3.5Å; K1356-E1359 IonicContact NZ-OE2 3.42Å; K1356-E1359 PolarHBondContact NZ-OE2 2.85Å; K1356-E1359 PolarHBondContact O-N 2.79Å; E1359-T1362 WeakPolarHBondContact O-CB 3.47Å; E1359-T1362 PolarHBondContact O-N 2.94Å; E1359-F1363 PolarHBondContact O-N 3.01Å |
| 1360 | T | 94.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | 179.5 | -51.6 | 0 | 0 | 0 | 0 | 112 | H1217 L1220 L1240 K1356 C1357 C1358 T1362 F1363 L1364 | H1217-T1360 WeakPolarHBondContact CA-OG1 3.46Å; H1217-T1360 VanDerWaalsContact CB-OG1 3.32Å; H1217-T1360 WeakPolarHBondContact CB-OG1 3.48Å; H1217-T1360 PolarHBondContact ND1-OG1 3.05Å; L1220-T1360 HydrophobicContact CB-CG2 4.05Å; L1220-T1360 HydrophobicContact CD1-CG2 3.5Å; L1220-T1360 HydrophobicContact CG-CG2 4.41Å; L1240-T1360 HydrophobicContact CD1-CG2 4.43Å; L1240-T1360 HydrophobicContact CD2-CG2 4.33Å; K1356-T1360 PolarHBondContact O-N 3.49Å; K1356-T1360 PolarHBondContact O-OG1 3.4Å; C1357-T1360 WeakPolarHBondContact O-CB 3.47Å; C1357-T1360 PolarHBondContact O-N 3.27Å; C1357-T1360 VanDerWaalsContact O-N 3.15Å; C1358-T1360 VanDerWaalsContact C-N 3.27Å; C1358-T1360 PolarHBondContact O-N 3.39Å; T1360-T1362 VanDerWaalsContact C-N 3.28Å; T1360-T1362 PolarHBondContact O-N 2.83Å; T1360-F1363 PolarHBondContact O-N 3.23Å; T1360-L1364 WeakPolarHBondContact O-CG 3.4Å; T1360-L1364 PolarHBondContact O-N 3.35Å |
| 1361 | L | 94 | Very high | 90 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -36.4 | 172 | -69.5 | 170.8 | 0 | 0 | 0 | 111.7 | F1237 C1357 C1358 L1364 V1365 C1382 L1383 F1386 L1461 L1464 | F1237-L1361 HydrophobicContact CD1-CD2 4.26Å; F1237-L1361 HydrophobicContact CE1-CD2 3.8Å; C1357-L1361 WeakPolarHBondContact O-CG 3.38Å; C1357-L1361 PolarHBondContact O-N 2.93Å; C1358-L1361 PolarHBondContact O-N 2.93Å; L1361-L1364 PolarHBondContact O-N 3.35Å; L1361-V1365 WeakPolarHBondContact O-CB 3.38Å; L1361-V1365 WeakPolarHBondContact O-CG2 3.2Å; L1361-V1365 PolarHBondContact O-N 3.09Å; L1361-C1382 HydrophobicContact CD2-CB 4.38Å; L1361-L1383 HydrophobicContact CB-CD2 4.47Å; L1361-L1383 HydrophobicContact CD1-CD2 4.34Å; L1361-F1386 HydrophobicContact CD1-CB 4.32Å; L1361-F1386 HydrophobicContact CD1-CD1 4.48Å; L1361-F1386 HydrophobicContact CD1-CD2 3.75Å; L1361-F1386 HydrophobicContact CD1-CE2 4.2Å; L1361-F1386 HydrophobicContact CD1-CG 3.9Å; L1361-L1461 HydrophobicContact CD1-CD2 4.27Å; L1361-L1464 HydrophobicContact CB-CD1 4.33Å |
| 1362 | T | 94 | Very high | 90.1 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | C1358 E1359 T1360 R1366 Q1460 L1464 | C1358-T1362 WeakPolarHBondContact O-CB 3.48Å; C1358-T1362 PolarHBondContact O-N 3.45Å; C1358-T1362 PolarHBondContact O-OG1 3.12Å; E1359-T1362 WeakPolarHBondContact O-CB 3.47Å; E1359-T1362 PolarHBondContact O-N 2.94Å; T1360-T1362 VanDerWaalsContact C-N 3.28Å; T1360-T1362 PolarHBondContact O-N 2.83Å; T1362-R1366 VanDerWaalsContact O-CB 3.3Å; T1362-R1366 WeakPolarHBondContact O-CB 3.45Å; T1362-R1366 WeakPolarHBondContact O-CG 3.42Å; T1362-R1366 PolarHBondContact O-N 3.17Å; T1362-Q1460 PolarHBondContact OG1-NE2 2.89Å; T1362-L1464 HydrophobicContact CG2-CD2 4.35Å |
| 1363 | F | 93 | Very high | 89.9 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.4 | -52.2 | 173.6 | 167.4 | -103.6 | 0 | 0 | 0 | 111.2 | R1221 A1224 E1359 T1360 V1365 D1367 H1370 | R1221-F1363 HydrophobicContact CB-CE1 4.49Å; A1224-F1363 HydrophobicContact CB-CE1 4.41Å; E1359-F1363 PolarHBondContact O-N 3.01Å; T1360-F1363 PolarHBondContact O-N 3.23Å; F1363-V1365 PolarHBondContact O-N 2.95Å; F1363-D1367 PolarHBondContact O-N 2.71Å; F1363-H1370 AromaticContact CE1-CD2 3.55Å; F1363-H1370 AromaticContact CE1-NE2 3.81Å; F1363-H1370 AromaticContact CZ-CD2 3.52Å; F1363-H1370 AromaticContact CZ-NE2 3.38Å; F1363-H1370 WeakPolarHBondContact CZ-NE2 3.14Å |
| 1364 | L | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | -176.7 | -69.1 | 176 | 0 | 0 | 0 | 113.8 | L1220 A1224 W1233 F1237 T1360 L1361 D1367 H1370 I1371 | L1220-L1364 HydrophobicContact CD1-CD1 4.16Å; L1220-L1364 HydrophobicContact CD2-CD1 4.2Å; L1220-L1364 HydrophobicContact CD2-CD2 4.28Å; A1224-L1364 HydrophobicContact CB-CD2 3.96Å; W1233-L1364 HydrophobicContact CH2-CD2 4.32Å; W1233-L1364 HydrophobicContact CZ3-CD1 4.42Å; W1233-L1364 HydrophobicContact CZ3-CD2 4.31Å; F1237-L1364 HydrophobicContact CE1-CD1 4.02Å; F1237-L1364 HydrophobicContact CZ-CD1 3.92Å; T1360-L1364 WeakPolarHBondContact O-CG 3.4Å; T1360-L1364 PolarHBondContact O-N 3.35Å; L1361-L1364 PolarHBondContact O-N 3.35Å; L1364-D1367 VanDerWaalsContact O-O 3.13Å; L1364-H1370 HydrophobicContact CD2-CB 3.94Å; L1364-I1371 HydrophobicContact CB-CD1 4.48Å; L1364-I1371 WeakPolarHBondContact O-CD1 3.46Å; L1364-I1371 WeakPolarHBondContact O-CG1 3.5Å |
| 1365 | V | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -84 | -21.9 | -173.9 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | L1361 F1363 I1371 C1379 L1383 L1464 L1468 | L1361-V1365 WeakPolarHBondContact O-CB 3.38Å; L1361-V1365 WeakPolarHBondContact O-CG2 3.2Å; L1361-V1365 PolarHBondContact O-N 3.09Å; F1363-V1365 PolarHBondContact O-N 2.95Å; V1365-I1371 HydrophobicContact CG2-CD1 4.14Å; V1365-C1379 WeakPolarHBondContact CG2-SG 3.44Å; V1365-L1383 HydrophobicContact CG2-CD1 4.33Å; V1365-L1464 HydrophobicContact CB-CB 4.41Å; V1365-L1464 HydrophobicContact CB-CD2 4.1Å; V1365-L1464 HydrophobicContact CG1-CB 4Å; V1365-L1464 HydrophobicContact CG1-CD2 4.12Å; V1365-L1468 HydrophobicContact CG1-CB 4.11Å |
| 1366 | R | 90.6 | Very high | 89.3 | Confident | 143 Ų | 143 | 38.1 Ų | 38.1 | 54% | 0.54 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -84.7 | -23.1 | 176.4 | -71.8 | -174.7 | 166.8 | -174.6 | -4.3 | 113.8 | T1362 D1463 L1464 L1467 | T1362-R1366 VanDerWaalsContact O-CB 3.3Å; T1362-R1366 WeakPolarHBondContact O-CB 3.45Å; T1362-R1366 WeakPolarHBondContact O-CG 3.42Å; T1362-R1366 PolarHBondContact O-N 3.17Å; R1366-D1463 IonicContact CZ-OD2 3.33Å; R1366-D1463 IonicContact NE-OD2 2.69Å; R1366-D1463 IonicContact NH2-OD2 3.1Å; R1366-D1463 PolarHBondContact NH2-OD2 3.19Å; R1366-L1464 HydrophobicContact CG-CD2 3.8Å; R1366-L1467 HydrophobicContact CG-CD2 3.84Å |
| 1367 | D | 85.8 | Confident | 88.9 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 40% | 0.401 | 20% | 0.196 | S | C | . | . | trans | -98.9 | 108.3 | 169.6 | -162.6 | -28.8 | 0 | 0 | 0 | 111.2 | F1363 L1364 A1369 H1370 | F1363-D1367 PolarHBondContact O-N 2.71Å; L1364-D1367 VanDerWaalsContact O-O 3.13Å; D1367-A1369 PolarHBondContact O-N 3.28Å; D1367-A1369 VanDerWaalsContact O-N 3.12Å; D1367-A1369 VanDerWaalsContact OD1-CB 3.29Å; D1367-A1369 WeakPolarHBondContact OD1-CB 3.12Å; D1367-A1369 PolarHBondContact OD1-N 3.33Å; D1367-H1370 PolarHBondContact O-N 2.72Å | ||
| 1368 | M | 74.3 | Confident | 88.6 | Confident | 69 Ų | 69 | 39.8 Ų | 39.8 | 34% | 0.34 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -62.5 | -16.7 | 178.9 | -80.1 | -68.3 | -69.9 | 0 | 0 | 114 | H1370 Q1471 A1474 V1475 | M1368-H1370 PolarHBondContact O-N 3.15Å; M1368-Q1471 HydrophobicContact CE-CB 4.03Å; M1368-Q1471 HydrophobicContact CE-CG 4.21Å; M1368-Q1471 HydrophobicContact CG-CG 4.4Å; M1368-Q1471 HydrophobicContact SD-CB 3.7Å; M1368-Q1471 HydrophobicContact SD-CG 3.54Å; M1368-Q1471 VanDerWaalsContact SD-CG 3.54Å; M1368-Q1471 PolarHBondContact SD-NE2 3.19Å; M1368-Q1471 VanDerWaalsContact SD-NE2 3.37Å; M1368-A1474 HydrophobicContact CE-CB 4.36Å; M1368-V1475 HydrophobicContact CE-CG2 3.62Å |
| 1369 | A | 81.9 | Confident | 88.4 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 60% | 0.603 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -69.5 | -7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1367 | D1367-A1369 PolarHBondContact O-N 3.28Å; D1367-A1369 VanDerWaalsContact O-N 3.12Å; D1367-A1369 VanDerWaalsContact OD1-CB 3.29Å; D1367-A1369 WeakPolarHBondContact OD1-CB 3.12Å; D1367-A1369 PolarHBondContact OD1-N 3.33Å |
| 1370 | H | 85.6 | Confident | 88.2 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 10% | 0.102 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -114.1 | -6.8 | -178.9 | -63.5 | -16 | 0 | 0 | 0 | 114.3 | A1224 F1363 L1364 D1367 M1368 N1375 | A1224-H1370 HydrophobicContact CB-CB 4.5Å; F1363-H1370 AromaticContact CE1-CD2 3.55Å; F1363-H1370 AromaticContact CE1-NE2 3.81Å; F1363-H1370 AromaticContact CZ-CD2 3.52Å; F1363-H1370 AromaticContact CZ-NE2 3.38Å; F1363-H1370 WeakPolarHBondContact CZ-NE2 3.14Å; L1364-H1370 HydrophobicContact CD2-CB 3.94Å; D1367-H1370 PolarHBondContact O-N 2.72Å; M1368-H1370 PolarHBondContact O-N 3.15Å; H1370-N1375 PolarHBondContact O-ND2 2.8Å |
| 1371 | I | 88.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | trans | -106.2 | 117.9 | 172.4 | -56.6 | -56.5 | 0 | 0 | 0 | 109.5 | L1364 V1365 N1375 F1376 C1379 L1468 V1475 | L1364-I1371 HydrophobicContact CB-CD1 4.48Å; L1364-I1371 WeakPolarHBondContact O-CD1 3.46Å; L1364-I1371 WeakPolarHBondContact O-CG1 3.5Å; V1365-I1371 HydrophobicContact CG2-CD1 4.14Å; I1371-N1375 WeakPolarHBondContact CA-OD1 3.46Å; I1371-F1376 HydrophobicContact CG2-CD2 3.59Å; I1371-F1376 HydrophobicContact CG2-CE2 3.91Å; I1371-F1376 HydrophobicContact CG2-CG 4.43Å; I1371-C1379 HydrophobicContact CD1-CB 4.37Å; I1371-L1468 HydrophobicContact CG1-CD1 4.48Å; I1371-L1468 HydrophobicContact CG2-CD1 3.78Å; I1371-V1475 HydrophobicContact CG2-CG2 4.25Å | ||
| 1372 | T | 86.6 | Confident | 87.7 | Confident | 54 Ų | 54 | 37.8 Ų | 37.8 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | trans | -133.3 | 164.5 | -174.7 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | E1374 N1375 F1376 | T1372-E1374 PolarHBondContact O-N 3.12Å; T1372-E1374 VanDerWaalsContact O-N 3.13Å; T1372-N1375 PolarHBondContact N-OD1 2.98Å; T1372-N1375 PolarHBondContact O-N 2.87Å; T1372-N1375 PolarHBondContact O-OD1 3.02Å; T1372-N1375 VanDerWaalsContact O-OD1 3.11Å; T1372-F1376 PolarHBondContact O-N 2.68Å | ||
| 1373 | Q | 83.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 36.9 Ų | 36.9 | 38% | 0.383 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.6 | 176.6 | -59.6 | -175.5 | 11.2 | 0 | 0 | 112.8 | N1375 V1475 F1476 | Q1373-N1375 VanDerWaalsContact C-N 3.34Å; Q1373-N1375 PolarHBondContact O-N 3.38Å; Q1373-V1475 HydrophobicContact CG-CG1 3.91Å; Q1373-V1475 VanDerWaalsContact CG-O 3.32Å; Q1373-V1475 WeakPolarHBondContact CG-O 3.26Å; Q1373-V1475 PolarHBondContact NE2-O 2.86Å; Q1373-F1476 HydrophobicContact CB-CE1 4Å; Q1373-F1476 HydrophobicContact CG-CD1 3.78Å; Q1373-F1476 HydrophobicContact CG-CE1 3.69Å; Q1373-F1476 HydrophobicContact CG-CZ 4.44Å |
| 1374 | E | 82.7 | Confident | 87.3 | Confident | 87 Ų | 87 | 34.6 Ų | 34.6 | 41% | 0.407 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -23.8 | 176.4 | -68.4 | -152.7 | -110.8 | 0 | 0 | 113.6 | K1228 K1229 Q1230 T1372 | K1228-E1374 VanDerWaalsContact O-CD 3.29Å; K1229-E1374 WeakPolarHBondContact CA-OE2 3.45Å; Q1230-E1374 VanDerWaalsContact CA-O 3.31Å; Q1230-E1374 WeakPolarHBondContact CA-O 3.45Å; Q1230-E1374 HydrophobicContact CB-CB 4.09Å; Q1230-E1374 WeakPolarHBondContact CB-O 3.5Å; Q1230-E1374 WeakPolarHBondContact CG-O 3.19Å; Q1230-E1374 PolarHBondContact N-OE2 3.26Å; T1372-E1374 PolarHBondContact O-N 3.12Å; T1372-E1374 VanDerWaalsContact O-N 3.13Å |
| 1375 | N | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -9.3 | -173.8 | 83.5 | -0.8 | 0 | 0 | 0 | 115.6 | W1233 F1237 H1370 I1371 T1372 Q1373 D1377 A1378 C1379 | W1233-N1375 HydrophobicContact CB-CB 3.61Å; W1233-N1375 HydrophobicContact CD2-CB 3.53Å; W1233-N1375 VanDerWaalsContact CE2-ND2 3.32Å; W1233-N1375 HydrophobicContact CE3-CB 4.11Å; W1233-N1375 HydrophobicContact CG-CB 3.29Å; W1233-N1375 WeakPolarHBondContact CZ2-ND2 3.36Å; F1237-N1375 HydrophobicContact CE2-CB 4.2Å; H1370-N1375 PolarHBondContact O-ND2 2.8Å; I1371-N1375 WeakPolarHBondContact CA-OD1 3.46Å; T1372-N1375 PolarHBondContact N-OD1 2.98Å; T1372-N1375 PolarHBondContact O-N 2.87Å; T1372-N1375 PolarHBondContact O-OD1 3.02Å; T1372-N1375 VanDerWaalsContact O-OD1 3.11Å; Q1373-N1375 VanDerWaalsContact C-N 3.34Å; Q1373-N1375 PolarHBondContact O-N 3.38Å; N1375-D1377 PolarHBondContact O-N 3.35Å; N1375-A1378 PolarHBondContact O-N 3.19Å; N1375-A1378 VanDerWaalsContact O-N 3.15Å; N1375-C1379 PolarHBondContact O-N 3.5Å |
| 1376 | F | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52.5 | -49.8 | -175.2 | -153.5 | -72.1 | 0 | 0 | 0 | 112.7 | I1371 T1372 A1378 C1379 V1380 L1468 A1472 V1475 F1476 V1493 | I1371-F1376 HydrophobicContact CG2-CD2 3.59Å; I1371-F1376 HydrophobicContact CG2-CE2 3.91Å; I1371-F1376 HydrophobicContact CG2-CG 4.43Å; T1372-F1376 PolarHBondContact O-N 2.68Å; F1376-A1378 VanDerWaalsContact C-N 3.33Å; F1376-A1378 PolarHBondContact O-N 2.74Å; F1376-C1379 WeakPolarHBondContact O-CB 3.4Å; F1376-C1379 PolarHBondContact O-N 3.21Å; F1376-V1380 HydrophobicContact CD1-CG2 3.53Å; F1376-V1380 HydrophobicContact CE1-CG2 3.46Å; F1376-V1380 VanDerWaalsContact CE1-CG2 3.46Å; F1376-V1380 WeakPolarHBondContact O-CG2 3.46Å; F1376-V1380 PolarHBondContact O-N 3.1Å; F1376-L1468 HydrophobicContact CD2-CD1 4.26Å; F1376-L1468 HydrophobicContact CE1-CD1 4Å; F1376-L1468 HydrophobicContact CE1-CD2 4.27Å; F1376-L1468 HydrophobicContact CE1-CG 3.91Å; F1376-L1468 HydrophobicContact CE2-CD1 3.55Å; F1376-L1468 HydrophobicContact CE2-CG 4.29Å; F1376-L1468 HydrophobicContact CZ-CD1 3.4Å; F1376-L1468 HydrophobicContact CZ-CD2 4.42Å; F1376-L1468 HydrophobicContact CZ-CG 3.61Å; F1376-A1472 HydrophobicContact CE2-CB 4.41Å; F1376-A1472 HydrophobicContact CZ-CB 3.82Å; F1376-V1475 HydrophobicContact CD2-CB 4.08Å; F1376-V1475 HydrophobicContact CD2-CG1 3.98Å; F1376-V1475 HydrophobicContact CD2-CG2 4.09Å; F1376-V1475 HydrophobicContact CE2-CB 4.11Å; F1376-V1475 HydrophobicContact CE2-CG2 3.89Å; F1376-F1476 HydrophobicContact CB-CE2 4.32Å; F1376-F1476 HydrophobicContact CB-CZ 4.1Å; F1376-F1476 HydrophobicContact CD1-CE2 4.23Å; F1376-F1476 AromaticContact CD2-CE2 3.87Å; F1376-F1476 HydrophobicContact CD2-CE2 3.87Å; F1376-F1476 HydrophobicContact CD2-CZ 4.43Å; F1376-F1476 HydrophobicContact CE2-CE2 4.23Å; F1376-F1476 AromaticContact CG-CE2 3.86Å; F1376-F1476 HydrophobicContact CG-CE2 3.86Å; F1376-F1476 HydrophobicContact CG-CZ 4.16Å; F1376-V1493 HydrophobicContact CD1-CG1 4.23Å; F1376-V1493 HydrophobicContact CD1-CG2 3.76Å; F1376-V1493 HydrophobicContact CE1-CB 4.22Å; F1376-V1493 HydrophobicContact CE1-CG1 3.41Å; F1376-V1493 VanDerWaalsContact CE1-CG1 3.41Å; F1376-V1493 HydrophobicContact CE1-CG2 3.82Å; F1376-V1493 HydrophobicContact CZ-CG1 3.93Å |
| 1377 | D | 85.9 | Confident | 87.2 | Confident | 41 Ų | 41 | 28.1 Ų | 28.1 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | -178.4 | -53.4 | -43.2 | 0 | 0 | 0 | 112.5 | N1375 Q1381 R1492 | N1375-D1377 PolarHBondContact O-N 3.35Å; D1377-Q1381 WeakPolarHBondContact O-CB 3.46Å; D1377-Q1381 PolarHBondContact O-N 3.29Å; D1377-R1492 VanDerWaalsContact CG-NE 3.3Å; D1377-R1492 WeakPolarHBondContact OD1-CG 3.45Å; D1377-R1492 IonicContact OD1-CZ 2.71Å; D1377-R1492 IonicContact OD1-NE 2.78Å; D1377-R1492 PolarHBondContact OD1-NE 3.16Å; D1377-R1492 IonicContact OD1-NH2 3.57Å; D1377-R1492 IonicContact OD2-CZ 3.7Å; D1377-R1492 IonicContact OD2-NE 3.52Å; D1377-R1492 PolarHBondContact OD2-NE 3.02Å; D1377-R1492 VanDerWaalsContact OD2-NE 3.13Å; D1377-R1492 IonicContact OD2-NH2 3.99Å; D1377-R1492 PolarHBondContact OD2-NH2 3.33Å |
| 1378 | A | 88.4 | Confident | 87.2 | Confident | 23 Ų | 23 | 24.9 Ų | 24.9 | 19% | 0.19 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.4 | -35 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1237 N1375 F1376 C1382 | F1237-A1378 HydrophobicContact CB-CB 4.01Å; F1237-A1378 HydrophobicContact CD2-CB 3.5Å; F1237-A1378 VanDerWaalsContact CD2-CB 3.5Å; F1237-A1378 HydrophobicContact CE2-CB 4.27Å; F1237-A1378 HydrophobicContact CG-CB 3.99Å; N1375-A1378 PolarHBondContact O-N 3.19Å; N1375-A1378 VanDerWaalsContact O-N 3.15Å; F1376-A1378 VanDerWaalsContact C-N 3.33Å; F1376-A1378 PolarHBondContact O-N 2.74Å; A1378-C1382 WeakPolarHBondContact O-CB 3.24Å; A1378-C1382 PolarHBondContact O-N 3.34Å |
| 1379 | C | 91.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.9 | -47.7 | 172.5 | -169.5 | 0 | 0 | 0 | 0 | 112 | F1237 V1365 I1371 N1375 F1376 Q1381 C1382 L1383 | F1237-C1379 HydrophobicContact CE1-CB 4.05Å; F1237-C1379 HydrophobicContact CE2-CB 4.08Å; F1237-C1379 HydrophobicContact CZ-CB 3.62Å; V1365-C1379 WeakPolarHBondContact CG2-SG 3.44Å; I1371-C1379 HydrophobicContact CD1-CB 4.37Å; N1375-C1379 PolarHBondContact O-N 3.5Å; F1376-C1379 WeakPolarHBondContact O-CB 3.4Å; F1376-C1379 PolarHBondContact O-N 3.21Å; C1379-Q1381 VanDerWaalsContact C-N 3.34Å; C1379-Q1381 PolarHBondContact O-N 3.31Å; C1379-C1382 PolarHBondContact O-N 3.3Å; C1379-L1383 WeakPolarHBondContact O-CG 3.26Å; C1379-L1383 PolarHBondContact O-N 3.42Å |
| 1380 | V | 89.4 | Confident | 88 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.024 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.1 | -46.7 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | F1376 R1384 L1468 P1496 L1497 | F1376-V1380 HydrophobicContact CD1-CG2 3.53Å; F1376-V1380 HydrophobicContact CE1-CG2 3.46Å; F1376-V1380 VanDerWaalsContact CE1-CG2 3.46Å; F1376-V1380 WeakPolarHBondContact O-CG2 3.46Å; F1376-V1380 PolarHBondContact O-N 3.1Å; V1380-R1384 VanDerWaalsContact O-CD 3.31Å; V1380-R1384 WeakPolarHBondContact O-CD 3.33Å; V1380-R1384 WeakPolarHBondContact O-CG 3.15Å; V1380-R1384 PolarHBondContact O-N 3.17Å; V1380-L1468 HydrophobicContact CG2-CD2 3.74Å; V1380-P1496 HydrophobicContact CG1-CB 3.66Å; V1380-L1497 HydrophobicContact CG1-CD2 4.14Å; V1380-L1497 HydrophobicContact CG1-CG 4.15Å; V1380-L1497 HydrophobicContact CG2-CD1 4.18Å; V1380-L1497 HydrophobicContact CG2-CD2 4.16Å; V1380-L1497 HydrophobicContact CG2-CG 4.19Å |
| 1381 | Q | 86.7 | Confident | 87.9 | Confident | 35 Ų | 35 | 17.7 Ų | 17.7 | 16% | 0.164 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65 | -45.4 | 178.5 | -178.9 | 49.9 | 48.9 | 0 | 0 | 111.7 | D1377 C1379 L1383 R1384 T1385 | D1377-Q1381 WeakPolarHBondContact O-CB 3.46Å; D1377-Q1381 PolarHBondContact O-N 3.29Å; C1379-Q1381 VanDerWaalsContact C-N 3.34Å; C1379-Q1381 PolarHBondContact O-N 3.31Å; Q1381-L1383 PolarHBondContact O-N 2.94Å; Q1381-R1384 WeakPolarHBondContact O-CB 3.49Å; Q1381-R1384 PolarHBondContact O-N 3.45Å; Q1381-T1385 PolarHBondContact NE2-OG1 3.03Å; Q1381-T1385 PolarHBondContact O-N 3.25Å; Q1381-T1385 PolarHBondContact O-OG1 3.32Å; Q1381-T1385 VanDerWaalsContact O-OG1 3.06Å |
| 1382 | C | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 178.6 | -170 | 0 | 0 | 0 | 0 | 112 | F1237 E1241 L1361 A1378 C1379 R1384 T1385 F1386 | F1237-C1382 HydrophobicContact CB-CB 4.29Å; F1237-C1382 HydrophobicContact CD1-CB 3.64Å; F1237-C1382 HydrophobicContact CE1-CB 4.39Å; F1237-C1382 HydrophobicContact CG-CB 4.3Å; E1241-C1382 HydrophobicContact CG-CB 4.16Å; L1361-C1382 HydrophobicContact CD2-CB 4.38Å; A1378-C1382 WeakPolarHBondContact O-CB 3.24Å; A1378-C1382 PolarHBondContact O-N 3.34Å; C1379-C1382 PolarHBondContact O-N 3.3Å; C1382-R1384 VanDerWaalsContact C-N 3.25Å; C1382-R1384 PolarHBondContact O-N 3.01Å; C1382-T1385 PolarHBondContact O-N 2.67Å; C1382-F1386 WeakPolarHBondContact O-CD2 3.41Å; C1382-F1386 PolarHBondContact O-N 2.96Å |
| 1383 | L | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.6 | -40.7 | 175.8 | -78.2 | 169.5 | 0 | 0 | 0 | 112 | L1361 V1365 C1379 Q1381 F1386 I1387 L1461 L1464 L1468 | L1361-L1383 HydrophobicContact CB-CD2 4.47Å; L1361-L1383 HydrophobicContact CD1-CD2 4.34Å; V1365-L1383 HydrophobicContact CG2-CD1 4.33Å; C1379-L1383 WeakPolarHBondContact O-CG 3.26Å; C1379-L1383 PolarHBondContact O-N 3.42Å; Q1381-L1383 PolarHBondContact O-N 2.94Å; L1383-F1386 PolarHBondContact O-N 2.99Å; L1383-I1387 WeakPolarHBondContact O-CB 3.49Å; L1383-I1387 VanDerWaalsContact O-CG1 3.28Å; L1383-I1387 WeakPolarHBondContact O-CG1 3.39Å; L1383-I1387 PolarHBondContact O-N 3.4Å; L1383-L1461 HydrophobicContact CD2-CD2 3.91Å; L1383-L1464 HydrophobicContact CD2-CB 4.11Å; L1383-L1464 HydrophobicContact CD2-CD1 4.21Å; L1383-L1468 HydrophobicContact CD1-CD2 3.59Å |
| 1384 | R | 88.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 12.6 Ų | 12.6 | 6% | 0.057 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 178.5 | -65.6 | 166.1 | 100.8 | -147.2 | 1.8 | 112.1 | F1335 L1342 V1380 Q1381 C1382 I1387 E1388 P1496 A1500 | F1335-R1384 VanDerWaalsContact CD2-CZ 3.42Å; F1335-R1384 VanDerWaalsContact CD2-NH1 3.28Å; F1335-R1384 VanDerWaalsContact CD2-NH2 3.25Å; L1342-R1384 HydrophobicContact CD2-CB 4.23Å; V1380-R1384 VanDerWaalsContact O-CD 3.31Å; V1380-R1384 WeakPolarHBondContact O-CD 3.33Å; V1380-R1384 WeakPolarHBondContact O-CG 3.15Å; V1380-R1384 PolarHBondContact O-N 3.17Å; Q1381-R1384 WeakPolarHBondContact O-CB 3.49Å; Q1381-R1384 PolarHBondContact O-N 3.45Å; C1382-R1384 VanDerWaalsContact C-N 3.25Å; C1382-R1384 PolarHBondContact O-N 3.01Å; R1384-I1387 PolarHBondContact O-N 2.87Å; R1384-E1388 PolarHBondContact O-N 3.21Å; R1384-E1388 VanDerWaalsContact O-N 3.09Å; R1384-P1496 PolarHBondContact NE-O 2.68Å; R1384-P1496 VanDerWaalsContact NH2-CA 3.35Å; R1384-P1496 PolarHBondContact NH2-O 3.31Å; R1384-A1500 HydrophobicContact CG-CB 3.97Å |
| 1385 | T | 88.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.7 | -55 | 0 | 0 | 0 | 0 | 111.4 | E1241 A1245 A1247 L1346 Q1381 C1382 A1389 | E1241-T1385 HydrophobicContact CB-CG2 4.22Å; E1241-T1385 HydrophobicContact CG-CG2 3.97Å; E1241-T1385 VanDerWaalsContact OE1-CB 3.3Å; E1241-T1385 WeakPolarHBondContact OE1-CB 3.45Å; E1241-T1385 PolarHBondContact OE1-OG1 3.34Å; A1245-T1385 HydrophobicContact CB-CG2 4.02Å; A1247-T1385 HydrophobicContact CB-CG2 3.57Å; L1346-T1385 HydrophobicContact CD2-CG2 3.94Å; Q1381-T1385 PolarHBondContact NE2-OG1 3.03Å; Q1381-T1385 PolarHBondContact O-N 3.25Å; Q1381-T1385 PolarHBondContact O-OG1 3.32Å; Q1381-T1385 VanDerWaalsContact O-OG1 3.06Å; C1382-T1385 PolarHBondContact O-N 2.67Å; T1385-A1389 PolarHBondContact O-N 2.91Å; T1385-A1389 VanDerWaalsContact O-N 3.16Å |
| 1386 | F | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 175 | -86.3 | -92.9 | 0 | 0 | 0 | 113.3 | L1240 A1245 Y1354 C1357 L1361 C1382 L1383 E1388 A1389 G1390 L1461 | L1240-F1386 HydrophobicContact CB-CE2 4.43Å; L1240-F1386 VanDerWaalsContact O-CZ 3.32Å; L1240-F1386 WeakPolarHBondContact O-CZ 3.42Å; A1245-F1386 HydrophobicContact CB-CD1 4.5Å; A1245-F1386 HydrophobicContact CB-CD2 4.36Å; A1245-F1386 HydrophobicContact CB-CE1 4.36Å; A1245-F1386 HydrophobicContact CB-CE2 4.24Å; A1245-F1386 HydrophobicContact CB-CG 4.49Å; A1245-F1386 HydrophobicContact CB-CZ 4.23Å; Y1354-F1386 AromaticContact CD2-CD1 3.86Å; Y1354-F1386 HydrophobicContact CD2-CD1 3.86Å; Y1354-F1386 HydrophobicContact CD2-CE1 4.01Å; Y1354-F1386 AromaticContact CE2-CD1 3.63Å; Y1354-F1386 HydrophobicContact CE2-CD1 3.63Å; Y1354-F1386 HydrophobicContact CE2-CE1 4.25Å; Y1354-F1386 PolarHBondContact OH-O 3.34Å; C1357-F1386 HydrophobicContact CB-CE1 3.42Å; C1357-F1386 VanDerWaalsContact CB-CE1 3.42Å; C1357-F1386 HydrophobicContact CB-CE2 4.31Å; C1357-F1386 HydrophobicContact CB-CZ 3.25Å; L1361-F1386 HydrophobicContact CD1-CB 4.32Å; L1361-F1386 HydrophobicContact CD1-CD1 4.48Å; L1361-F1386 HydrophobicContact CD1-CD2 3.75Å; L1361-F1386 HydrophobicContact CD1-CE2 4.2Å; L1361-F1386 HydrophobicContact CD1-CG 3.9Å; C1382-F1386 WeakPolarHBondContact O-CD2 3.41Å; C1382-F1386 PolarHBondContact O-N 2.96Å; L1383-F1386 PolarHBondContact O-N 2.99Å; F1386-E1388 PolarHBondContact O-N 3.3Å; F1386-A1389 PolarHBondContact O-N 3.43Å; F1386-G1390 PolarHBondContact O-N 3Å; F1386-L1461 HydrophobicContact CB-CD1 4.03Å; F1386-L1461 HydrophobicContact CB-CD2 4.24Å |
| 1387 | I | 89.7 | Confident | 83 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.2 | -80.3 | 172.3 | 0 | 0 | 0 | 112 | L1383 R1384 L1391 L1461 T1465 A1500 L1504 | L1383-I1387 WeakPolarHBondContact O-CB 3.49Å; L1383-I1387 VanDerWaalsContact O-CG1 3.28Å; L1383-I1387 WeakPolarHBondContact O-CG1 3.39Å; L1383-I1387 PolarHBondContact O-N 3.4Å; R1384-I1387 PolarHBondContact O-N 2.87Å; I1387-L1391 PolarHBondContact O-N 2.87Å; I1387-L1461 HydrophobicContact CD1-CB 4.43Å; I1387-L1461 HydrophobicContact CG1-CB 3.94Å; I1387-L1461 HydrophobicContact CG1-CD1 4.32Å; I1387-T1465 WeakPolarHBondContact CD1-OG1 3.38Å; I1387-A1500 HydrophobicContact CD1-CB 4.19Å; I1387-L1504 HydrophobicContact CD1-CD1 3.97Å; I1387-L1504 HydrophobicContact CG1-CD1 4.04Å; I1387-L1504 HydrophobicContact CG2-CD1 4Å; I1387-L1504 HydrophobicContact CG2-CD2 3.96Å; I1387-L1504 HydrophobicContact CG2-CG 3.69Å |
| 1388 | E | 86.2 | Confident | 81.5 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.2 | -40 | 178.4 | -166.7 | 73.8 | -159 | 0 | 0 | 111.3 | L1342 L1346 R1384 F1386 L1391 R1503 | L1342-E1388 HydrophobicContact CB-CG 4.43Å; L1346-E1388 HydrophobicContact CD1-CB 4.01Å; L1346-E1388 HydrophobicContact CD1-CG 3.83Å; R1384-E1388 PolarHBondContact O-N 3.21Å; R1384-E1388 VanDerWaalsContact O-N 3.09Å; F1386-E1388 PolarHBondContact O-N 3.3Å; E1388-L1391 VanDerWaalsContact O-CB 3.31Å; E1388-L1391 WeakPolarHBondContact O-CB 3.3Å; E1388-L1391 PolarHBondContact O-N 2.85Å; E1388-R1503 IonicContact OE1-CZ 3.65Å; E1388-R1503 IonicContact OE1-NE 2.73Å; E1388-R1503 PolarHBondContact OE1-NE 3.24Å; E1388-R1503 IonicContact OE1-NH2 3.35Å; E1388-R1503 PolarHBondContact OE1-NH2 2.9Å; E1388-R1503 WeakPolarHBondContact OE2-CG 3.41Å; E1388-R1503 IonicContact OE2-CZ 2.75Å; E1388-R1503 IonicContact OE2-NE 3.67Å; E1388-R1503 PolarHBondContact OE2-NE 2.99Å; E1388-R1503 IonicContact OE2-NH2 3.74Å |
| 1389 | A | 85.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.5 | -30.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | A1245 L1346 Y1354 T1385 F1386 | A1245-A1389 HydrophobicContact CB-CB 3.82Å; L1346-A1389 HydrophobicContact CD1-CB 4.25Å; L1346-A1389 HydrophobicContact CD2-CB 4.46Å; Y1354-A1389 HydrophobicContact CE2-CB 4.17Å; T1385-A1389 PolarHBondContact O-N 2.91Å; T1385-A1389 VanDerWaalsContact O-N 3.16Å; F1386-A1389 PolarHBondContact O-N 3.43Å |
| 1390 | G | 87.3 | Confident | 77.2 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -5.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1354 F1386 G1393 R1509 | Y1354-G1390 VanDerWaalsContact OH-CA 3.28Å; Y1354-G1390 WeakPolarHBondContact OH-CA 3.46Å; F1386-G1390 PolarHBondContact O-N 3Å; G1390-G1393 PolarHBondContact O-N 2.92Å; G1390-R1509 PolarHBondContact O-NH2 3.06Å |
| 1391 | L | 83.5 | Confident | 74.8 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -62.1 | 142.5 | -177.6 | -168.7 | 70.5 | 0 | 0 | 0 | 110.9 | I1387 E1388 G1393 G1394 R1503 L1504 D1507 | I1387-L1391 PolarHBondContact O-N 2.87Å; E1388-L1391 VanDerWaalsContact O-CB 3.31Å; E1388-L1391 WeakPolarHBondContact O-CB 3.3Å; E1388-L1391 PolarHBondContact O-N 2.85Å; L1391-G1393 PolarHBondContact O-N 3.41Å; L1391-G1394 PolarHBondContact O-N 3.27Å; L1391-R1503 VanDerWaalsContact CD2-NH2 3.3Å; L1391-L1504 HydrophobicContact CD1-CD2 4.04Å; L1391-D1507 HydrophobicContact CD1-CB 4.02Å |
| 1392 | N | 81.3 | Confident | 72.5 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | 55.7 | 24.4 | 179.7 | -64.3 | -12.8 | 0 | 0 | 0 | 114 | H1396 D1507 R1508 | N1392-H1396 PolarHBondContact ND2-NE2 2.99Å; N1392-H1396 VanDerWaalsContact ND2-NE2 3.17Å; N1392-D1507 PolarHBondContact N-OD2 3.35Å; N1392-D1507 WeakPolarHBondContact OD1-CA 3.29Å; N1392-R1508 HydrophobicContact CB-CG 4.24Å; N1392-R1508 PolarHBondContact OD1-N 3.13Å |
| 1393 | G | 77.2 | Confident | 69.9 | Low | 5 Ų | 5 | 54.5 Ų | 54.5 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | 80.6 | 12.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1390 L1391 F1395 R1509 | G1390-G1393 PolarHBondContact O-N 2.92Å; L1391-G1393 PolarHBondContact O-N 3.41Å; G1393-F1395 PolarHBondContact O-N 3.47Å; G1393-F1395 VanDerWaalsContact O-N 3.17Å; G1393-R1509 VanDerWaalsContact N-CZ 3.32Å |
| 1394 | G | 75.2 | Confident | 67.2 | Low | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | 75.8 | -9.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1391 H1396 Y1397 | L1391-G1394 PolarHBondContact O-N 3.27Å; G1394-H1396 PolarHBondContact O-N 3.15Å; G1394-H1396 VanDerWaalsContact O-N 3.08Å; G1394-Y1397 PolarHBondContact O-N 3.25Å |
| 1395 | F | 64.1 | Low | 64.7 | Low | 100 Ų | 100 | 68.4 Ų | 68.4 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -52 | -35.7 | -175.2 | -79.2 | -78.9 | 0 | 0 | 0 | 114.7 | G1393 Y1397 M1398 E1451 | G1393-F1395 PolarHBondContact O-N 3.47Å; G1393-F1395 VanDerWaalsContact O-N 3.17Å; F1395-Y1397 PolarHBondContact O-N 3.26Å; F1395-M1398 PolarHBondContact O-N 3.43Å; F1395-M1398 VanDerWaalsContact O-N 3.13Å; F1395-E1451 HydrophobicContact CE2-CG 4.28Å |
| 1396 | H | 61.3 | Low | 61.8 | Low | 98 Ų | 98 | 73.7 Ų | 73.7 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -59.3 | -19.7 | 177.6 | -73 | -68.7 | 0 | 0 | 0 | 114.2 | N1392 G1394 | N1392-H1396 PolarHBondContact ND2-NE2 2.99Å; N1392-H1396 VanDerWaalsContact ND2-NE2 3.17Å; G1394-H1396 PolarHBondContact O-N 3.15Å; G1394-H1396 VanDerWaalsContact O-N 3.08Å |
| 1397 | Y | 59.2 | Low | 58.8 | Low | 62 Ų | 62 | 78.8 Ų | 78.8 | 24% | 0.243 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -104.4 | -3.1 | -179.3 | -60.8 | -71.5 | 0 | 0 | 0 | 113.6 | L1346 S1348 G1394 F1395 | L1346-Y1397 HydrophobicContact CB-CD1 4.21Å; L1346-Y1397 HydrophobicContact CB-CE1 3.73Å; L1346-Y1397 HydrophobicContact CD1-CE1 4.42Å; L1346-Y1397 HydrophobicContact CD1-CE2 4.33Å; S1348-Y1397 WeakPolarHBondContact CA-O 3.21Å; S1348-Y1397 WeakPolarHBondContact CB-O 3.38Å; G1394-Y1397 PolarHBondContact O-N 3.25Å; F1395-Y1397 PolarHBondContact O-N 3.26Å |
| 1398 | M | 55.4 | Low | 55.9 | Low | 92 Ų | 92 | 87.1 Ų | 87.1 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -20.7 | -179.3 | -60.1 | -160.2 | 78 | 0 | 0 | 114.1 | P1351 F1395 | P1351-M1398 HydrophobicContact CG-CE 4.09Å; F1395-M1398 PolarHBondContact O-N 3.43Å; F1395-M1398 VanDerWaalsContact O-N 3.13Å |
| 1399 | D | 45.6 | Very low | 53.1 | Low | 151 Ų | 151 | 93 Ų | 93 | 81% | 0.807 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -97.7 | 6.5 | -159.2 | -151.5 | 34.8 | 0 | 0 | 0 | 115.4 | ||
| 1400 | Q | 43.9 | Very low | 50.5 | Low | 178 Ų | 178 | 98.9 Ų | 98.9 | 83% | 0.832 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -120.5 | 8.9 | -167.2 | -70.5 | -165.1 | -12.4 | 0 | 0 | 116.9 | ||
| 1401 | S | 38.4 | Very low | 47.7 | Very low | 63 Ų | 63 | 103.6 Ų | 103.6 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | trans | -149.5 | 34.6 | -173.7 | 77.3 | 0 | 0 | 0 | 0 | 117.8 | S1348 | S1348-S1401 PolarHBondContact OG-OG 3.33Å; S1348-S1401 VanDerWaalsContact OG-OG 3.06Å | ||
| 1402 | L | 39.2 | Very low | 45.3 | Very low | 163 Ų | 163 | 106.5 Ų | 106.5 | 85% | 0.853 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -86.4 | -17.7 | 177.1 | -91.2 | 166.9 | 0 | 0 | 0 | 115.2 | ||
| 1403 | D | 34.9 | Very low | 42.9 | Very low | 164 Ų | 164 | 116 Ų | 116 | 88% | 0.877 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -90.4 | 0.9 | -174.8 | -68.1 | -42 | 0 | 0 | 0 | 115.3 | ||
| 1404 | M | 34.5 | Very low | 40.8 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 84% | 0.842 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -115.7 | 34.3 | -171.8 | -74.7 | -69 | -74.8 | 0 | 0 | 114.5 | ||
| 1405 | L | 35.5 | Very low | 38.7 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 71% | 0.707 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -130.8 | 128.1 | 167.4 | -71 | 175 | 0 | 0 | 0 | 110.6 | A1407 | L1405-A1407 PolarHBondContact O-N 3.29Š|
| 1406 | P | 28.8 | Very low | 37 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -68.5 | 123.2 | 175.1 | 28.2 | -33.2 | 0 | 0 | 0 | 110.1 | Q1408 | P1406-Q1408 VanDerWaalsContact C-N 3.27Å; P1406-Q1408 PolarHBondContact O-N 3.31Å | ||
| 1407 | A | 28.1 | Very low | 35.7 | Very low | 107 Ų | 107 | 131 Ų | 131 | 88% | 0.884 | 70% | 0.703 | S | S | * | * | trans | -74.2 | 67.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1405 N1409 | L1405-A1407 PolarHBondContact O-N 3.29Å; A1407-N1409 VanDerWaalsContact C-N 3.31Å; A1407-N1409 PolarHBondContact O-N 3.46Å | ||
| 1408 | Q | 29.5 | Very low | 34.2 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | -80.2 | 75.9 | 174.2 | -72.8 | -161.4 | -16.1 | 0 | 0 | 112.9 | P1406 D1410 | P1406-Q1408 VanDerWaalsContact C-N 3.27Å; P1406-Q1408 PolarHBondContact O-N 3.31Å; Q1408-D1410 PolarHBondContact O-N 3.13Å | ||
| 1409 | N | 27.5 | Very low | 33.1 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | 49.7 | 64.6 | 143.9 | -160.8 | 5.1 | 0 | 0 | 0 | 116.7 | A1407 N1411 | A1407-N1409 VanDerWaalsContact C-N 3.31Å; A1407-N1409 PolarHBondContact O-N 3.46Å; N1409-N1411 VanDerWaalsContact C-N 3.33Å; N1409-N1411 PolarHBondContact O-N 3.34Å; N1409-N1411 PolarHBondContact OD1-ND2 3.08Å | ||
| 1410 | D | 30.7 | Very low | 32.3 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | trans | -69.3 | 81.7 | -179.4 | -157.6 | -27.2 | 0 | 0 | 0 | 112.6 | Q1408 S1412 | Q1408-D1410 PolarHBondContact O-N 3.13Å; D1410-S1412 PolarHBondContact O-N 3.46Å; D1410-S1412 WeakPolarHBondContact OD1-CB 3.12Å; D1410-S1412 PolarHBondContact OD1-OG 3.04Å | ||
| 1411 | N | 28.9 | Very low | 31.7 | Very low | 101 Ų | 101 | 142 Ų | 142 | 54% | 0.54 | 75% | 0.752 | S | S | . | * | trans | -79.7 | 54 | 177.6 | -111.4 | -63 | 0 | 0 | 0 | 112 | N1409 | N1409-N1411 VanDerWaalsContact C-N 3.33Å; N1409-N1411 PolarHBondContact O-N 3.34Å; N1409-N1411 PolarHBondContact OD1-ND2 3.08Å | ||
| 1412 | S | 32.8 | Very low | 31.3 | Very low | 72 Ų | 72 | 150 Ų | 150 | 50% | 0.503 | 77% | 0.772 | S | S | . | * | trans | -104.5 | 45.7 | 176.8 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | D1410 S1414 | D1410-S1412 PolarHBondContact O-N 3.46Å; D1410-S1412 WeakPolarHBondContact OD1-CB 3.12Å; D1410-S1412 PolarHBondContact OD1-OG 3.04Å; S1412-S1414 PolarHBondContact O-N 3.02Å | ||
| 1413 | R | 30.8 | Very low | 31.1 | Very low | 227 Ų | 227 | 150.5 Ų | 150.5 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -60.3 | 92 | 172.7 | -83.4 | -171 | 173.3 | -178.4 | 0.8 | 111.6 | S1415 | R1413-S1415 PolarHBondContact O-N 2.61Š| ||
| 1414 | S | 33.6 | Very low | 31 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -64 | 123.3 | 169.1 | 54.3 | 0 | 0 | 0 | 0 | 110 | S1412 K1416 | S1412-S1414 PolarHBondContact O-N 3.02Å; S1414-K1416 PolarHBondContact O-N 3.49Å | ||
| 1415 | S | 30.1 | Very low | 31 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -74.4 | 96 | 178.3 | 37.8 | 0 | 0 | 0 | 0 | 110.1 | R1413 T1417 | R1413-S1415 PolarHBondContact O-N 2.61Å; S1415-T1417 PolarHBondContact O-N 3.4Å; S1415-T1417 PolarHBondContact O-OG1 2.99Å | ||
| 1416 | K | 29.3 | Very low | 30.8 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 75 | 163.5 | -74.7 | -171.7 | 175.5 | -178.6 | 0 | 109.9 | S1414 R1418 | S1414-K1416 PolarHBondContact O-N 3.49Å; K1416-R1418 PolarHBondContact O-N 3.4Å; K1416-R1418 VanDerWaalsContact O-N 3.08Å | ||
| 1417 | T | 32.3 | Very low | 31.1 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -68.2 | 101.4 | -176.4 | -44.1 | 0 | 0 | 0 | 0 | 110.6 | S1415 H1419 | S1415-T1417 PolarHBondContact O-N 3.4Å; S1415-T1417 PolarHBondContact O-OG1 2.99Å; T1417-H1419 PolarHBondContact O-N 3.4Å | ||
| 1418 | R | 27.4 | Very low | 31.6 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | -76.9 | 107.8 | 174.3 | -71.7 | 175.6 | 170.2 | 166.7 | -3.7 | 110.8 | K1416 | K1416-R1418 PolarHBondContact O-N 3.4Å; K1416-R1418 VanDerWaalsContact O-N 3.08Å | ||
| 1419 | H | 32.6 | Very low | 31.9 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -159.4 | 103.1 | 146.7 | -101.6 | -81.5 | 0 | 0 | 0 | 107.5 | T1417 | T1417-H1419 PolarHBondContact O-N 3.4Š| ||
| 1420 | A | 29.4 | Very low | 32.2 | Very low | 82 Ų | 82 | 151.3 Ų | 151.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | 93.7 | 93.1 | 59.5 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 1421 | F | 32.5 | Very low | 32.4 | Very low | 211 Ų | 211 | 148.6 Ų | 148.6 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -108.9 | 139 | 150.6 | -121.8 | -90.6 | 0 | 0 | 0 | 109 | ||||
| 1422 | R | 28.3 | Very low | 32.7 | Very low | 231 Ų | 231 | 150.1 Ų | 150.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -110.4 | 141.9 | 180 | -73.1 | 175.1 | 170.3 | 163 | -3.3 | 109.8 | ||||
| 1423 | L | 35.4 | Very low | 32.6 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -157.1 | 164.3 | 147.7 | -105.7 | 155.7 | 0 | 0 | 0 | 110.8 | ||||
| 1424 | A | 33.1 | Very low | 32.6 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -38.8 | 156.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1425 | S | 33.5 | Very low | 32.6 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | -161.3 | 146.8 | 1.7 | 162.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1426 | K | 32.3 | Very low | 32.6 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -0.6 | 123.4 | 150.3 | -55.5 | 157.8 | -176.9 | 170.9 | 0 | 115.8 | ||||
| 1427 | K | 34.6 | Very low | 32.8 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | -170.5 | 171.2 | 79 | -90 | -176 | 174.2 | 179.7 | 0 | 112 | |||||
| 1428 | S | 38.3 | Very low | 32.8 | Very low | 86 Ų | 86 | 152 Ų | 152 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | cis | 178.4 | 126.5 | -46.8 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1429 | R | 37 | Very low | 33 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 66.5 | 148 | 152.6 | -72.6 | -175.5 | 166.5 | 174.2 | -6.6 | 119.7 | ||||
| 1430 | S | 33.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 151 Ų | 151 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -177.6 | 146.7 | -12.1 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1431 | G | 34.8 | Very low | 33.3 | Very low | 69 Ų | 69 | 153.2 Ų | 153.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 84 | 159.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1432 | T | 34 | Very low | 33.4 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | cis | -163.3 | 148.1 | -11.5 | -6.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1433 | D | 30.7 | Very low | 33.9 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 19.5 | 114.2 | 162.8 | -52.8 | -27.3 | 0 | 0 | 0 | 121.3 | ||||
| 1434 | S | 32.4 | Very low | 34.3 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 167.1 | 155.5 | 107.4 | 50 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1435 | H | 32.4 | Very low | 34.8 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | trans | 52.9 | 69.9 | 172.3 | -75.1 | -65.8 | 0 | 0 | 0 | 117.9 | ||||
| 1436 | D | 30.4 | Very low | 35.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | trans | -77.2 | 124.9 | 164.4 | -164.2 | -18.2 | 0 | 0 | 0 | 111 | S1438 | D1436-S1438 WeakPolarHBondContact OD1-CA 3.47Å; D1436-S1438 PolarHBondContact OD1-N 3.39Å; D1436-S1438 PolarHBondContact OD1-OG 3.38Å | ||
| 1437 | K | 34.2 | Very low | 36.6 | Very low | 217 Ų | 217 | 131.9 Ų | 131.9 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | trans | -127.9 | 31 | 173.8 | -125.2 | -170.9 | -176 | -171.5 | 0 | 110.8 | ||||
| 1438 | S | 31.7 | Very low | 38 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 71% | 0.707 | S | S | * | * | trans | -147 | 69.5 | -161.4 | 33.2 | 0 | 0 | 0 | 0 | 112.8 | D1436 | D1436-S1438 WeakPolarHBondContact OD1-CA 3.47Å; D1436-S1438 PolarHBondContact OD1-N 3.39Å; D1436-S1438 PolarHBondContact OD1-OG 3.38Å | ||
| 1439 | Q | 31.5 | Very low | 39.5 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | -129.5 | 76 | 159.8 | -71.4 | -164.1 | -2 | 0 | 0 | 111.2 | ||||
| 1440 | R | 35 | Very low | 41.2 | Very low | 224 Ų | 224 | 119 Ų | 119 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | -125.6 | -1.1 | 161 | -99 | -172.4 | 176.4 | -167 | -1.8 | 113.7 | S1442 | R1440-S1442 PolarHBondContact O-N 2.87Š| ||
| 1441 | D | 32.4 | Very low | 43.2 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 70% | 0.695 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 58.8 | -171.8 | -58.2 | -73 | 0 | 0 | 0 | 112.6 | ||
| 1442 | S | 35.2 | Very low | 45.4 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 2.9 | 171.8 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | R1440 | R1440-S1442 PolarHBondContact O-N 2.87Š|
| 1443 | S | 38.5 | Very low | 47.9 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 69% | 0.692 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -100 | -8.8 | 168.4 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1444 | T | 43.5 | Very low | 50.7 | Low | 84 Ų | 84 | 108.4 Ų | 108.4 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -80.3 | -27.9 | -167.1 | -17.7 | 0 | 0 | 0 | 0 | 114.4 | G1446 G1447 A1448 | T1444-G1446 PolarHBondContact O-N 3.38Å; T1444-G1447 PolarHBondContact O-N 3.47Å; T1444-A1448 PolarHBondContact O-N 3.05Å |
| 1445 | E | 45 | Very low | 53.5 | Low | 172 Ų | 172 | 105.8 Ų | 105.8 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.8 | -41.4 | -179.1 | -68.1 | -172.7 | 139.2 | 0 | 0 | 112.3 | G1447 E1449 | E1445-G1447 VanDerWaalsContact C-N 3.33Å; E1445-G1447 PolarHBondContact O-N 3.16Å; E1445-E1449 PolarHBondContact O-N 3.47Å |
| 1446 | G | 46.3 | Very low | 56.3 | Low | 45 Ų | 45 | 102.8 Ų | 102.8 | 46% | 0.464 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.6 | -26.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1444 V1450 | T1444-G1446 PolarHBondContact O-N 3.38Å; G1446-V1450 WeakPolarHBondContact O-CG2 3.31Å; G1446-V1450 PolarHBondContact O-N 3.12Å |
| 1447 | G | 57.3 | Low | 59.2 | Low | 37 Ų | 37 | 98 Ų | 98 | 38% | 0.381 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1444 E1445 E1449 V1450 E1451 | T1444-G1447 PolarHBondContact O-N 3.47Å; E1445-G1447 VanDerWaalsContact C-N 3.33Å; E1445-G1447 PolarHBondContact O-N 3.16Å; G1447-E1449 PolarHBondContact O-N 3.22Å; G1447-V1450 PolarHBondContact O-N 3.44Å; G1447-E1451 PolarHBondContact O-N 2.95Å |
| 1448 | A | 63.1 | Low | 61.9 | Low | 62 Ų | 62 | 87.9 Ų | 87.9 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1444 S1452 | T1444-A1448 PolarHBondContact O-N 3.05Å; A1448-S1452 WeakPolarHBondContact O-CB 3.1Å; A1448-S1452 PolarHBondContact O-N 2.78Å; A1448-S1452 VanDerWaalsContact O-N 3.07Å |
| 1449 | E | 71.1 | Confident | 64.8 | Low | 139 Ų | 139 | 86.3 Ų | 86.3 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 175.6 | -170.6 | 169.2 | -140.2 | 0 | 0 | 111.4 | E1445 G1447 S1452 I1453 | E1445-E1449 PolarHBondContact O-N 3.47Å; G1447-E1449 PolarHBondContact O-N 3.22Å; E1449-S1452 PolarHBondContact O-N 3.06Å; E1449-I1453 HydrophobicContact CG-CD1 4.17Å; E1449-I1453 WeakPolarHBondContact O-CD1 3.33Å; E1449-I1453 VanDerWaalsContact O-CG1 3.28Å; E1449-I1453 WeakPolarHBondContact O-CG1 3.36Å; E1449-I1453 PolarHBondContact O-N 3.23Å |
| 1450 | V | 72 | Confident | 67.8 | Low | 51 Ų | 51 | 79.9 Ų | 79.9 | 31% | 0.309 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | G1446 G1447 S1452 I1453 Y1454 | G1446-V1450 WeakPolarHBondContact O-CG2 3.31Å; G1446-V1450 PolarHBondContact O-N 3.12Å; G1447-V1450 PolarHBondContact O-N 3.44Å; V1450-S1452 VanDerWaalsContact C-N 3.31Å; V1450-S1452 PolarHBondContact O-N 3.46Å; V1450-I1453 PolarHBondContact O-N 3.16Å; V1450-Y1454 HydrophobicContact CG1-CD2 3.83Å; V1450-Y1454 HydrophobicContact CG1-CE2 3.83Å; V1450-Y1454 WeakPolarHBondContact O-CD2 3.49Å; V1450-Y1454 PolarHBondContact O-N 2.79Å |
| 1451 | E | 74.7 | Confident | 70.6 | Confident | 93 Ų | 93 | 69.3 Ų | 69.3 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 179 | -173 | 176.7 | -170.5 | 0 | 0 | 112.1 | F1395 G1447 Y1454 L1455 | F1395-E1451 HydrophobicContact CE2-CG 4.28Å; G1447-E1451 PolarHBondContact O-N 2.95Å; E1451-Y1454 PolarHBondContact O-N 3.5Å; E1451-L1455 PolarHBondContact O-N 3.44Å |
| 1452 | S | 82.6 | Confident | 73.4 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 51% | 0.51 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | A1448 E1449 V1450 Y1454 L1455 Q1456 | A1448-S1452 WeakPolarHBondContact O-CB 3.1Å; A1448-S1452 PolarHBondContact O-N 2.78Å; A1448-S1452 VanDerWaalsContact O-N 3.07Å; E1449-S1452 PolarHBondContact O-N 3.06Å; V1450-S1452 VanDerWaalsContact C-N 3.31Å; V1450-S1452 PolarHBondContact O-N 3.46Å; S1452-Y1454 PolarHBondContact O-N 3.07Å; S1452-L1455 WeakPolarHBondContact O-CB 3.34Å; S1452-L1455 PolarHBondContact O-N 2.9Å; S1452-Q1456 PolarHBondContact O-N 3.24Å |
| 1453 | I | 86.3 | Confident | 76.2 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.2 | -69.6 | 163.8 | 0 | 0 | 0 | 110.7 | V1355 E1449 V1450 L1455 Q1456 L1457 | V1355-I1453 HydrophobicContact CG2-CG2 3.56Å; E1449-I1453 HydrophobicContact CG-CD1 4.17Å; E1449-I1453 WeakPolarHBondContact O-CD1 3.33Å; E1449-I1453 VanDerWaalsContact O-CG1 3.28Å; E1449-I1453 WeakPolarHBondContact O-CG1 3.36Å; E1449-I1453 PolarHBondContact O-N 3.23Å; V1450-I1453 PolarHBondContact O-N 3.16Å; I1453-L1455 VanDerWaalsContact C-N 3.31Å; I1453-L1455 PolarHBondContact O-N 3.47Å; I1453-Q1456 PolarHBondContact O-N 3.12Å; I1453-L1457 HydrophobicContact CG2-CD1 4.02Å; I1453-L1457 HydrophobicContact CG2-CG 4.4Å; I1453-L1457 WeakPolarHBondContact O-CG 3.41Å; I1453-L1457 PolarHBondContact O-N 3.19Å |
| 1454 | Y | 89.7 | Confident | 78.8 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -29.7 | 177.7 | -88.4 | -110.5 | 0 | 0 | 0 | 113 | H1349 P1351 Y1354 V1450 E1451 S1452 A1458 R1509 | H1349-Y1454 PolarHBondContact CD2-OH 3.36Å; H1349-Y1454 AromaticContact NE2-CE1 3.97Å; H1349-Y1454 AromaticContact NE2-CZ 3.84Å; H1349-Y1454 PolarHBondContact NE2-OH 3.16Å; P1351-Y1454 HydrophobicContact CB-CE2 4.34Å; Y1354-Y1454 AromaticContact CD1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CD1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CD1-CE2 4.28Å; Y1354-Y1454 AromaticContact CD1-CZ 3.75Å; Y1354-Y1454 HydrophobicContact CE1-CD1 4.17Å; Y1354-Y1454 AromaticContact CE1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CE1-CE1 3.87Å; Y1354-Y1454 HydrophobicContact CG-CE1 4.27Å; V1450-Y1454 HydrophobicContact CG1-CD2 3.83Å; V1450-Y1454 HydrophobicContact CG1-CE2 3.83Å; V1450-Y1454 WeakPolarHBondContact O-CD2 3.49Å; V1450-Y1454 PolarHBondContact O-N 2.79Å; E1451-Y1454 PolarHBondContact O-N 3.5Å; S1452-Y1454 PolarHBondContact O-N 3.07Å; Y1454-A1458 WeakPolarHBondContact O-CB 3.43Å; Y1454-A1458 PolarHBondContact O-N 2.87Å; Y1454-R1509 PolarHBondContact O-NH1 3.32Å |
| 1455 | L | 90 | Very high | 81.2 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67 | -46.9 | 172.4 | 170.2 | 61.4 | 0 | 0 | 0 | 110.9 | E1451 S1452 I1453 A1458 L1459 R1509 V1511 V1512 | E1451-L1455 PolarHBondContact O-N 3.44Å; S1452-L1455 WeakPolarHBondContact O-CB 3.34Å; S1452-L1455 PolarHBondContact O-N 2.9Å; I1453-L1455 VanDerWaalsContact C-N 3.31Å; I1453-L1455 PolarHBondContact O-N 3.47Å; L1455-A1458 PolarHBondContact O-N 2.99Å; L1455-L1459 HydrophobicContact CD1-CD1 4.29Å; L1455-L1459 WeakPolarHBondContact O-CG 3.44Å; L1455-L1459 PolarHBondContact O-N 3.35Å; L1455-R1509 HydrophobicContact CD1-CB 4.24Å; L1455-V1511 HydrophobicContact CD1-CB 4.5Å; L1455-V1512 HydrophobicContact CD1-CG2 3.73Å |
| 1456 | Q | 90.8 | Very high | 83.4 | Confident | 127 Ų | 127 | 45 Ų | 45 | 59% | 0.593 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 176.8 | -177.1 | 172.2 | -20.8 | 0 | 0 | 111.4 | S1452 I1453 A1458 L1459 Q1460 | S1452-Q1456 PolarHBondContact O-N 3.24Å; I1453-Q1456 PolarHBondContact O-N 3.12Å; Q1456-A1458 PolarHBondContact O-N 3.2Å; Q1456-L1459 PolarHBondContact O-N 3.04Å; Q1456-Q1460 WeakPolarHBondContact O-CB 3.38Å; Q1456-Q1460 PolarHBondContact O-N 3.11Å |
| 1457 | L | 91.8 | Very high | 85.6 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.2 | -34.4 | 179.4 | -69.1 | -178.6 | 0 | 0 | 0 | 113.6 | Y1354 V1355 C1358 I1453 Q1460 L1461 | Y1354-L1457 HydrophobicContact CD1-CD1 3.98Å; Y1354-L1457 HydrophobicContact CE1-CB 4.33Å; Y1354-L1457 HydrophobicContact CE1-CD1 3.79Å; V1355-L1457 HydrophobicContact CB-CD1 4.16Å; V1355-L1457 HydrophobicContact CG1-CD1 4.4Å; V1355-L1457 HydrophobicContact CG2-CD1 3.73Å; C1358-L1457 HydrophobicContact CB-CD1 4.09Å; C1358-L1457 HydrophobicContact CB-CD2 3.8Å; C1358-L1457 HydrophobicContact CB-CG 4.43Å; I1453-L1457 HydrophobicContact CG2-CD1 4.02Å; I1453-L1457 HydrophobicContact CG2-CG 4.4Å; I1453-L1457 WeakPolarHBondContact O-CG 3.41Å; I1453-L1457 PolarHBondContact O-N 3.19Å; L1457-Q1460 PolarHBondContact O-N 3.41Å; L1457-L1461 WeakPolarHBondContact O-CB 3.46Å; L1457-L1461 WeakPolarHBondContact O-CG 3.35Å; L1457-L1461 PolarHBondContact O-N 2.56Å |
| 1458 | A | 91.2 | Very high | 87.1 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1454 L1455 Q1456 Q1460 L1462 V1512 | Y1454-A1458 WeakPolarHBondContact O-CB 3.43Å; Y1454-A1458 PolarHBondContact O-N 2.87Å; L1455-A1458 PolarHBondContact O-N 2.99Å; Q1456-A1458 PolarHBondContact O-N 3.2Å; A1458-Q1460 VanDerWaalsContact C-N 3.35Å; A1458-L1462 WeakPolarHBondContact O-CB 3.32Å; A1458-L1462 PolarHBondContact O-N 3.23Å; A1458-V1512 HydrophobicContact CB-CG1 4.4Å; A1458-V1512 HydrophobicContact CB-CG2 4.06Å |
| 1459 | L | 93.5 | Very high | 88.3 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.2 | -35.1 | 173.8 | -65.9 | 171.3 | 0 | 0 | 0 | 112 | L1455 Q1456 D1463 V1511 V1512 T1515 | L1455-L1459 HydrophobicContact CD1-CD1 4.29Å; L1455-L1459 WeakPolarHBondContact O-CG 3.44Å; L1455-L1459 PolarHBondContact O-N 3.35Å; Q1456-L1459 PolarHBondContact O-N 3.04Å; L1459-D1463 PolarHBondContact O-N 2.98Å; L1459-V1511 HydrophobicContact CD1-CG1 4.04Å; L1459-V1511 HydrophobicContact CD2-CG1 4.29Å; L1459-V1512 HydrophobicContact CD2-CG2 4.22Å; L1459-V1512 HydrophobicContact CG-CG2 4.4Å; L1459-T1515 HydrophobicContact CD2-CG2 4.29Å |
| 1460 | Q | 93.7 | Very high | 89.1 | Confident | 41 Ų | 41 | 37 Ų | 37 | 19% | 0.192 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -47.6 | 178.3 | -171 | 166.9 | -30.2 | 0 | 0 | 112 | T1362 Q1456 L1457 A1458 L1462 D1463 L1464 | T1362-Q1460 PolarHBondContact OG1-NE2 2.89Å; Q1456-Q1460 WeakPolarHBondContact O-CB 3.38Å; Q1456-Q1460 PolarHBondContact O-N 3.11Å; L1457-Q1460 PolarHBondContact O-N 3.41Å; A1458-Q1460 VanDerWaalsContact C-N 3.35Å; Q1460-L1462 PolarHBondContact O-N 3.12Å; Q1460-D1463 WeakPolarHBondContact O-CB 3.49Å; Q1460-D1463 PolarHBondContact O-N 3.2Å; Q1460-D1463 VanDerWaalsContact O-N 3.16Å; Q1460-L1464 WeakPolarHBondContact O-CG 3.35Å; Q1460-L1464 PolarHBondContact O-N 2.91Å |
| 1461 | L | 93.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -35.1 | 174.7 | -72.2 | 169.7 | 0 | 0 | 0 | 112.2 | Y1354 L1361 L1383 F1386 I1387 L1457 T1465 | Y1354-L1461 VanDerWaalsContact OH-CD1 3.31Å; Y1354-L1461 WeakPolarHBondContact OH-CD1 3.4Å; L1361-L1461 HydrophobicContact CD1-CD2 4.27Å; L1383-L1461 HydrophobicContact CD2-CD2 3.91Å; F1386-L1461 HydrophobicContact CB-CD1 4.03Å; F1386-L1461 HydrophobicContact CB-CD2 4.24Å; I1387-L1461 HydrophobicContact CD1-CB 4.43Å; I1387-L1461 HydrophobicContact CG1-CB 3.94Å; I1387-L1461 HydrophobicContact CG1-CD1 4.32Å; L1457-L1461 WeakPolarHBondContact O-CB 3.46Å; L1457-L1461 WeakPolarHBondContact O-CG 3.35Å; L1457-L1461 PolarHBondContact O-N 2.56Å; L1461-T1465 WeakPolarHBondContact O-CB 3.48Å; L1461-T1465 PolarHBondContact O-N 2.8Å; L1461-T1465 PolarHBondContact O-OG1 3.17Å |
| 1462 | L | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 174.3 | -178.2 | 71.1 | 0 | 0 | 0 | 112.4 | A1458 Q1460 T1465 Y1466 M1501 L1504 T1515 A1516 L1519 | A1458-L1462 WeakPolarHBondContact O-CB 3.32Å; A1458-L1462 PolarHBondContact O-N 3.23Å; Q1460-L1462 PolarHBondContact O-N 3.12Å; L1462-T1465 PolarHBondContact O-N 2.73Å; L1462-Y1466 PolarHBondContact O-N 3.31Å; L1462-M1501 HydrophobicContact CD1-CB 4.42Å; L1462-M1501 HydrophobicContact CD1-CG 4.04Å; L1462-L1504 HydrophobicContact CB-CD1 3.84Å; L1462-L1504 HydrophobicContact CD1-CB 4.33Å; L1462-L1504 HydrophobicContact CD1-CD1 3.74Å; L1462-L1504 HydrophobicContact CG-CD1 4.3Å; L1462-T1515 HydrophobicContact CD2-CG2 3.68Å; L1462-A1516 HydrophobicContact CD1-CB 4.02Å; L1462-A1516 HydrophobicContact CD2-CB 4Å; L1462-L1519 HydrophobicContact CD2-CD1 3.95Å; L1462-L1519 HydrophobicContact CG-CD1 3.81Å |
| 1463 | D | 93.7 | Very high | 89.8 | Confident | 55 Ų | 55 | 29.9 Ų | 29.9 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 173.1 | 178.4 | 63.2 | 0 | 0 | 0 | 111.5 | R1366 L1459 Q1460 T1465 Y1466 L1467 | R1366-D1463 IonicContact CZ-OD2 3.33Å; R1366-D1463 IonicContact NE-OD2 2.69Å; R1366-D1463 IonicContact NH2-OD2 3.1Å; R1366-D1463 PolarHBondContact NH2-OD2 3.19Å; L1459-D1463 PolarHBondContact O-N 2.98Å; Q1460-D1463 WeakPolarHBondContact O-CB 3.49Å; Q1460-D1463 PolarHBondContact O-N 3.2Å; Q1460-D1463 VanDerWaalsContact O-N 3.16Å; D1463-T1465 VanDerWaalsContact C-N 3.33Å; D1463-T1465 PolarHBondContact O-N 3.42Å; D1463-Y1466 PolarHBondContact O-N 3.13Å; D1463-L1467 VanDerWaalsContact O-CB 3.29Å; D1463-L1467 WeakPolarHBondContact O-CB 3.31Å; D1463-L1467 PolarHBondContact O-N 3.02Å |
| 1464 | L | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 174.4 | -61 | -177.4 | 0 | 0 | 0 | 112.7 | L1361 T1362 V1365 R1366 L1383 Q1460 L1467 L1468 | L1361-L1464 HydrophobicContact CB-CD1 4.33Å; T1362-L1464 HydrophobicContact CG2-CD2 4.35Å; V1365-L1464 HydrophobicContact CB-CB 4.41Å; V1365-L1464 HydrophobicContact CB-CD2 4.1Å; V1365-L1464 HydrophobicContact CG1-CB 4Å; V1365-L1464 HydrophobicContact CG1-CD2 4.12Å; R1366-L1464 HydrophobicContact CG-CD2 3.8Å; L1383-L1464 HydrophobicContact CD2-CB 4.11Å; L1383-L1464 HydrophobicContact CD2-CD1 4.21Å; Q1460-L1464 WeakPolarHBondContact O-CG 3.35Å; Q1460-L1464 PolarHBondContact O-N 2.91Å; L1464-L1467 PolarHBondContact O-N 3.41Å; L1464-L1468 VanDerWaalsContact O-CB 3.31Å; L1464-L1468 WeakPolarHBondContact O-CB 3.5Å; L1464-L1468 PolarHBondContact O-N 3.47Å |
| 1465 | T | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.2 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | I1387 L1461 L1462 D1463 F1469 L1497 A1500 M1501 | I1387-T1465 WeakPolarHBondContact CD1-OG1 3.38Å; L1461-T1465 WeakPolarHBondContact O-CB 3.48Å; L1461-T1465 PolarHBondContact O-N 2.8Å; L1461-T1465 PolarHBondContact O-OG1 3.17Å; L1462-T1465 PolarHBondContact O-N 2.73Å; D1463-T1465 VanDerWaalsContact C-N 3.33Å; D1463-T1465 PolarHBondContact O-N 3.42Å; T1465-F1469 WeakPolarHBondContact O-CB 3.32Å; T1465-F1469 PolarHBondContact O-N 2.98Å; T1465-F1469 VanDerWaalsContact O-N 3.16Å; T1465-L1497 HydrophobicContact CG2-CB 4.39Å; T1465-L1497 HydrophobicContact CG2-CD2 3.77Å; T1465-A1500 HydrophobicContact CG2-CB 3.92Å; T1465-M1501 HydrophobicContact CG2-CE 4.28Å; T1465-M1501 HydrophobicContact CG2-CG 3.81Å |
| 1466 | Y | 92.4 | Very high | 88.3 | Confident | 35 Ų | 35 | 29 Ų | 29 | 14% | 0.137 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.9 | -42.9 | 173.1 | 176.4 | -103.6 | 0 | 0 | 0 | 112.1 | L1462 D1463 F1469 V1470 M1501 L1519 R1522 S1523 I1526 | L1462-Y1466 PolarHBondContact O-N 3.31Å; D1463-Y1466 PolarHBondContact O-N 3.13Å; Y1466-F1469 WeakPolarHBondContact O-CB 3.48Å; Y1466-F1469 PolarHBondContact O-N 3.1Å; Y1466-V1470 HydrophobicContact CD1-CG2 4.44Å; Y1466-V1470 HydrophobicContact CE1-CG2 4.01Å; Y1466-V1470 HydrophobicContact CE2-CG2 4.22Å; Y1466-V1470 WeakPolarHBondContact O-CG2 3.36Å; Y1466-V1470 PolarHBondContact O-N 3.18Å; Y1466-M1501 HydrophobicContact CD2-SD 4.49Å; Y1466-L1519 HydrophobicContact CD1-CD2 3.91Å; Y1466-L1519 HydrophobicContact CD2-CB 4.21Å; Y1466-L1519 HydrophobicContact CD2-CD2 4Å; Y1466-L1519 HydrophobicContact CE1-CD2 4.21Å; Y1466-L1519 HydrophobicContact CE2-CD2 4.32Å; Y1466-L1519 HydrophobicContact CG-CB 4.43Å; Y1466-L1519 HydrophobicContact CG-CD2 3.8Å; Y1466-L1519 HydrophobicContact CG-CG 4.5Å; Y1466-R1522 HydrophobicContact CE2-CB 3.89Å; Y1466-R1522 PolarHBondContact OH-NE 3.22Å; Y1466-R1522 PolarHBondContact OH-NH2 3.12Å; Y1466-R1522 VanDerWaalsContact OH-NH2 3.1Å; Y1466-S1523 WeakPolarHBondContact CD2-OG 3.35Å; Y1466-I1526 HydrophobicContact CE2-CD1 4.43Å |
| 1467 | L | 91.3 | Very high | 86.9 | Confident | 48 Ų | 48 | 25.1 Ų | 25.1 | 25% | 0.251 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60 | -49.7 | 179 | -176.1 | 58.7 | 0 | 0 | 0 | 111.1 | R1366 D1463 L1464 F1469 V1470 Q1471 | R1366-L1467 HydrophobicContact CG-CD2 3.84Å; D1463-L1467 VanDerWaalsContact O-CB 3.29Å; D1463-L1467 WeakPolarHBondContact O-CB 3.31Å; D1463-L1467 PolarHBondContact O-N 3.02Å; L1464-L1467 PolarHBondContact O-N 3.41Å; L1467-F1469 VanDerWaalsContact C-N 3.29Å; L1467-F1469 PolarHBondContact O-N 2.95Å; L1467-V1470 PolarHBondContact O-N 3.37Å; L1467-Q1471 HydrophobicContact CD1-CG 4.41Å; L1467-Q1471 WeakPolarHBondContact O-CB 3.48Å; L1467-Q1471 VanDerWaalsContact O-CG 3.22Å; L1467-Q1471 WeakPolarHBondContact O-CG 3.48Å; L1467-Q1471 PolarHBondContact O-N 2.83Å; L1467-Q1471 PolarHBondContact O-OE1 2.7Å |
| 1468 | L | 89.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 176.4 | -170.4 | 62.2 | 0 | 0 | 0 | 112.3 | V1365 I1371 F1376 V1380 L1383 L1464 Q1471 A1472 L1497 | V1365-L1468 HydrophobicContact CG1-CB 4.11Å; I1371-L1468 HydrophobicContact CG1-CD1 4.48Å; I1371-L1468 HydrophobicContact CG2-CD1 3.78Å; F1376-L1468 HydrophobicContact CD2-CD1 4.26Å; F1376-L1468 HydrophobicContact CE1-CD1 4Å; F1376-L1468 HydrophobicContact CE1-CD2 4.27Å; F1376-L1468 HydrophobicContact CE1-CG 3.91Å; F1376-L1468 HydrophobicContact CE2-CD1 3.55Å; F1376-L1468 HydrophobicContact CE2-CG 4.29Å; F1376-L1468 HydrophobicContact CZ-CD1 3.4Å; F1376-L1468 HydrophobicContact CZ-CD2 4.42Å; F1376-L1468 HydrophobicContact CZ-CG 3.61Å; V1380-L1468 HydrophobicContact CG2-CD2 3.74Å; L1383-L1468 HydrophobicContact CD1-CD2 3.59Å; L1464-L1468 VanDerWaalsContact O-CB 3.31Å; L1464-L1468 WeakPolarHBondContact O-CB 3.5Å; L1464-L1468 PolarHBondContact O-N 3.47Å; L1468-Q1471 PolarHBondContact O-N 3.13Å; L1468-A1472 PolarHBondContact O-N 2.79Å; L1468-L1497 HydrophobicContact CB-CD1 4.49Å; L1468-L1497 HydrophobicContact CD2-CD2 4.28Å; L1468-L1497 HydrophobicContact CG-CD1 4.26Å |
| 1469 | F | 89.2 | Confident | 83 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.5 | -174.8 | -90.4 | 0 | 0 | 0 | 112.6 | T1465 Y1466 L1467 W1494 L1497 L1498 M1501 I1526 L1529 | T1465-F1469 WeakPolarHBondContact O-CB 3.32Å; T1465-F1469 PolarHBondContact O-N 2.98Å; T1465-F1469 VanDerWaalsContact O-N 3.16Å; Y1466-F1469 WeakPolarHBondContact O-CB 3.48Å; Y1466-F1469 PolarHBondContact O-N 3.1Å; L1467-F1469 VanDerWaalsContact C-N 3.29Å; L1467-F1469 PolarHBondContact O-N 2.95Å; F1469-W1494 AromaticContact CD2-CD1 3.6Å; F1469-W1494 HydrophobicContact CD2-CG 4.39Å; F1469-W1494 HydrophobicContact CE2-CB 3.72Å; F1469-W1494 AromaticContact CE2-CD1 3.28Å; F1469-W1494 AromaticContact CE2-CG 3.72Å; F1469-W1494 HydrophobicContact CE2-CG 3.72Å; F1469-W1494 HydrophobicContact CZ-CB 4.35Å; F1469-W1494 AromaticContact CZ-CD1 3.71Å; F1469-W1494 HydrophobicContact CZ-CG 4.1Å; F1469-L1497 HydrophobicContact CB-CB 4.44Å; F1469-L1497 HydrophobicContact CB-CD1 4.08Å; F1469-L1497 HydrophobicContact CD2-CB 3.8Å; F1469-L1497 HydrophobicContact CD2-CD1 4.22Å; F1469-L1498 HydrophobicContact CD2-CG 4.36Å; F1469-L1498 HydrophobicContact CE2-CD1 3.94Å; F1469-L1498 HydrophobicContact CE2-CD2 3.89Å; F1469-L1498 HydrophobicContact CE2-CG 3.55Å; F1469-L1498 HydrophobicContact CZ-CD1 4.1Å; F1469-L1498 HydrophobicContact CZ-CD2 3.91Å; F1469-L1498 HydrophobicContact CZ-CG 3.97Å; F1469-M1501 HydrophobicContact CB-CE 3.99Å; F1469-M1501 HydrophobicContact CD2-CE 4.02Å; F1469-M1501 HydrophobicContact CG-CE 3.96Å; F1469-I1526 HydrophobicContact CD1-CD1 3.77Å; F1469-I1526 HydrophobicContact CE1-CD1 3.89Å; F1469-L1529 HydrophobicContact CE1-CD1 4.11Å; F1469-L1529 HydrophobicContact CE1-CD2 4.47Å; F1469-L1529 HydrophobicContact CZ-CD1 3.92Å; F1469-L1529 HydrophobicContact CZ-CD2 3.9Å; F1469-L1529 HydrophobicContact CZ-CG 4.32Å |
| 1470 | V | 87.4 | Confident | 80.5 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 174 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | Y1466 L1467 A1472 I1526 | Y1466-V1470 HydrophobicContact CD1-CG2 4.44Å; Y1466-V1470 HydrophobicContact CE1-CG2 4.01Å; Y1466-V1470 HydrophobicContact CE2-CG2 4.22Å; Y1466-V1470 WeakPolarHBondContact O-CG2 3.36Å; Y1466-V1470 PolarHBondContact O-N 3.18Å; L1467-V1470 PolarHBondContact O-N 3.37Å; V1470-A1472 VanDerWaalsContact C-N 3.34Å; V1470-A1472 PolarHBondContact O-N 2.88Å; V1470-I1526 HydrophobicContact CG2-CD1 3.62Å |
| 1471 | Q | 83.7 | Confident | 78.2 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.6 | -19.4 | -173.8 | -72.6 | 164.9 | -26 | 0 | 0 | 114.5 | M1368 L1467 L1468 A1473 A1474 V1475 | M1368-Q1471 HydrophobicContact CE-CB 4.03Å; M1368-Q1471 HydrophobicContact CE-CG 4.21Å; M1368-Q1471 HydrophobicContact CG-CG 4.4Å; M1368-Q1471 HydrophobicContact SD-CB 3.7Å; M1368-Q1471 HydrophobicContact SD-CG 3.54Å; M1368-Q1471 VanDerWaalsContact SD-CG 3.54Å; M1368-Q1471 PolarHBondContact SD-NE2 3.19Å; M1368-Q1471 VanDerWaalsContact SD-NE2 3.37Å; L1467-Q1471 HydrophobicContact CD1-CG 4.41Å; L1467-Q1471 WeakPolarHBondContact O-CB 3.48Å; L1467-Q1471 VanDerWaalsContact O-CG 3.22Å; L1467-Q1471 WeakPolarHBondContact O-CG 3.48Å; L1467-Q1471 PolarHBondContact O-N 2.83Å; L1467-Q1471 PolarHBondContact O-OE1 2.7Å; L1468-Q1471 PolarHBondContact O-N 3.13Å; Q1471-A1473 PolarHBondContact O-N 3.22Å; Q1471-A1473 VanDerWaalsContact O-N 3.17Å; Q1471-A1474 WeakPolarHBondContact O-CB 3.46Å; Q1471-A1474 PolarHBondContact O-N 3.16Å; Q1471-V1475 PolarHBondContact O-N 3.06Å |
| 1472 | A | 82.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -47.9 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1376 L1468 V1470 A1474 V1475 F1476 V1493 | F1376-A1472 HydrophobicContact CE2-CB 4.41Å; F1376-A1472 HydrophobicContact CZ-CB 3.82Å; L1468-A1472 PolarHBondContact O-N 2.79Å; V1470-A1472 VanDerWaalsContact C-N 3.34Å; V1470-A1472 PolarHBondContact O-N 2.88Å; A1472-A1474 PolarHBondContact O-N 2.84Å; A1472-V1475 PolarHBondContact O-N 3.28Å; A1472-F1476 WeakPolarHBondContact O-CD2 3.38Å; A1472-F1476 PolarHBondContact O-N 2.94Å; A1472-F1476 VanDerWaalsContact O-N 3.16Å; A1472-V1493 HydrophobicContact CB-CG1 3.63Å |
| 1473 | A | 76.8 | Confident | 73.9 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.8 | -18.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1471 G1477 E1528 | Q1471-A1473 PolarHBondContact O-N 3.22Å; Q1471-A1473 VanDerWaalsContact O-N 3.17Å; A1473-G1477 WeakPolarHBondContact O-CA 3.44Å; A1473-G1477 PolarHBondContact O-N 2.79Å; A1473-E1528 HydrophobicContact CB-CB 4.34Å; A1473-E1528 HydrophobicContact CB-CG 3.68Å |
| 1474 | A | 78.8 | Confident | 71.8 | Confident | 65 Ų | 65 | 58 Ų | 58 | 54% | 0.537 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -87.9 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1368 Q1471 A1472 F1476 G1477 | M1368-A1474 HydrophobicContact CE-CB 4.36Å; Q1471-A1474 WeakPolarHBondContact O-CB 3.46Å; Q1471-A1474 PolarHBondContact O-N 3.16Å; A1472-A1474 PolarHBondContact O-N 2.84Å; A1474-F1476 PolarHBondContact O-N 3.22Å; A1474-G1477 PolarHBondContact O-N 2.93Å; A1474-G1477 VanDerWaalsContact O-N 3.08Å |
| 1475 | V | 78.7 | Confident | 69.8 | Low | 20 Ų | 20 | 62 Ų | 62 | 12% | 0.121 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.5 | -32 | 179 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | M1368 I1371 Q1373 F1376 Q1471 A1472 | M1368-V1475 HydrophobicContact CE-CG2 3.62Å; I1371-V1475 HydrophobicContact CG2-CG2 4.25Å; Q1373-V1475 HydrophobicContact CG-CG1 3.91Å; Q1373-V1475 VanDerWaalsContact CG-O 3.32Å; Q1373-V1475 WeakPolarHBondContact CG-O 3.26Å; Q1373-V1475 PolarHBondContact NE2-O 2.86Å; F1376-V1475 HydrophobicContact CD2-CB 4.08Å; F1376-V1475 HydrophobicContact CD2-CG1 3.98Å; F1376-V1475 HydrophobicContact CD2-CG2 4.09Å; F1376-V1475 HydrophobicContact CE2-CB 4.11Å; F1376-V1475 HydrophobicContact CE2-CG2 3.89Å; Q1471-V1475 PolarHBondContact O-N 3.06Å; A1472-V1475 PolarHBondContact O-N 3.28Å |
| 1476 | F | 77.2 | Confident | 68 | Low | 19 Ų | 19 | 67 Ų | 67 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 20.3 | 175 | -61.8 | -75.2 | 0 | 0 | 0 | 112.3 | Q1373 F1376 A1472 A1474 F1485 I1489 V1493 | Q1373-F1476 HydrophobicContact CB-CE1 4Å; Q1373-F1476 HydrophobicContact CG-CD1 3.78Å; Q1373-F1476 HydrophobicContact CG-CE1 3.69Å; Q1373-F1476 HydrophobicContact CG-CZ 4.44Å; F1376-F1476 HydrophobicContact CB-CE2 4.32Å; F1376-F1476 HydrophobicContact CB-CZ 4.1Å; F1376-F1476 HydrophobicContact CD1-CE2 4.23Å; F1376-F1476 AromaticContact CD2-CE2 3.87Å; F1376-F1476 HydrophobicContact CD2-CE2 3.87Å; F1376-F1476 HydrophobicContact CD2-CZ 4.43Å; F1376-F1476 HydrophobicContact CE2-CE2 4.23Å; F1376-F1476 AromaticContact CG-CE2 3.86Å; F1376-F1476 HydrophobicContact CG-CE2 3.86Å; F1376-F1476 HydrophobicContact CG-CZ 4.16Å; A1472-F1476 WeakPolarHBondContact O-CD2 3.38Å; A1472-F1476 PolarHBondContact O-N 2.94Å; A1472-F1476 VanDerWaalsContact O-N 3.16Å; A1474-F1476 PolarHBondContact O-N 3.22Å; F1476-F1485 HydrophobicContact CB-CE1 3.89Å; F1476-F1485 HydrophobicContact CB-CZ 3.86Å; F1476-F1485 WeakPolarHBondContact O-CE1 3.16Å; F1476-F1485 WeakPolarHBondContact O-CZ 3.34Å; F1476-I1489 HydrophobicContact CB-CD1 3.78Å; F1476-I1489 HydrophobicContact CD1-CD1 4.41Å; F1476-I1489 HydrophobicContact CD2-CD1 4.44Å; F1476-I1489 HydrophobicContact CG-CD1 3.97Å; F1476-V1493 HydrophobicContact CE2-CG2 3.93Å; F1476-V1493 HydrophobicContact CZ-CG2 4.4Å |
| 1477 | G | 62 | Low | 66.2 | Low | 46 Ų | 46 | 69 Ų | 69 | 47% | 0.474 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -81.4 | -36.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | A1473 A1474 | A1473-G1477 WeakPolarHBondContact O-CA 3.44Å; A1473-G1477 PolarHBondContact O-N 2.79Å; A1474-G1477 PolarHBondContact O-N 2.93Å; A1474-G1477 VanDerWaalsContact O-N 3.08Å |
| 1478 | D | 54.2 | Low | 64.9 | Low | 165 Ų | 165 | 70.8 Ų | 70.8 | 88% | 0.882 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -114.6 | -8.2 | -154.5 | -78.6 | -33.2 | 0 | 0 | 0 | 116.7 | ||
| 1479 | D | 47.5 | Very low | 64.3 | Low | 121 Ų | 121 | 71.8 Ų | 71.8 | 65% | 0.647 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -106.5 | 120.7 | -173.3 | -97.4 | -45.7 | 0 | 0 | 0 | 114.5 | ||
| 1480 | S | 40.7 | Very low | 63.8 | Low | 99 Ų | 99 | 71.9 Ų | 71.9 | 69% | 0.692 | 44% | 0.442 | S | S | * | . | trans | 67.1 | 127 | 174.1 | 72.8 | 0 | 0 | 0 | 0 | 117.7 | D1482 | S1480-D1482 PolarHBondContact O-N 3.38Š| ||
| 1481 | G | 44.6 | Very low | 63.4 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 89% | 0.887 | 44% | 0.444 | S | S | * | . | trans | -98 | 48.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1482 | D | 42.9 | Very low | 62.9 | Low | 133 Ų | 133 | 73.7 Ų | 73.7 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -126.1 | 156.3 | 179.9 | -94.4 | -57.5 | 0 | 0 | 0 | 113.4 | S1480 P1484 | S1480-D1482 PolarHBondContact O-N 3.38Å; D1482-P1484 WeakPolarHBondContact O-CD 3.42Å |
| 1483 | E | 52.5 | Low | 62.8 | Low | 136 Ų | 136 | 73.6 Ų | 73.6 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.3 | -167.4 | -86.8 | -74 | 126.7 | 0 | 0 | 119.8 | F1485 K1486 | E1483-F1485 PolarHBondContact O-N 3.35Å; E1483-K1486 IonicContact OE1-NZ 2.64Å; E1483-K1486 PolarHBondContact OE1-NZ 3.46Å; E1483-K1486 IonicContact OE2-NZ 2.66Å; E1483-K1486 PolarHBondContact OE2-NZ 2.96Å |
| 1484 | P | 49.8 | Very low | 63.2 | Low | 111 Ų | 111 | 73.1 Ų | 73.1 | 72% | 0.721 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.5 | -175.7 | -27.6 | 36.1 | 0 | 0 | 0 | 116.1 | D1482 K1486 | D1482-P1484 WeakPolarHBondContact O-CD 3.42Å; P1484-K1486 VanDerWaalsContact C-N 3.26Å; P1484-K1486 PolarHBondContact O-N 3.44Å; P1484-K1486 VanDerWaalsContact O-N 3.08Å |
| 1485 | F | 51 | Low | 63.6 | Low | 84 Ų | 84 | 71.2 Ų | 71.2 | 37% | 0.368 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.1 | -27.7 | -165.9 | -142.3 | -102.6 | 0 | 0 | 0 | 116.4 | F1476 E1483 I1489 | F1476-F1485 HydrophobicContact CB-CE1 3.89Å; F1476-F1485 HydrophobicContact CB-CZ 3.86Å; F1476-F1485 WeakPolarHBondContact O-CE1 3.16Å; F1476-F1485 WeakPolarHBondContact O-CZ 3.34Å; E1483-F1485 PolarHBondContact O-N 3.35Å; F1485-I1489 HydrophobicContact CD1-CD1 3.61Å; F1485-I1489 HydrophobicContact CE1-CD1 3.3Å; F1485-I1489 HydrophobicContact CZ-CD1 4.02Å |
| 1486 | K | 54.5 | Low | 64 | Low | 105 Ų | 105 | 70.8 Ų | 70.8 | 46% | 0.457 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -79.4 | -31.9 | -164.8 | -61.6 | 167.5 | -167.7 | 162.3 | 0 | 114.1 | E1483 P1484 | E1483-K1486 IonicContact OE1-NZ 2.64Å; E1483-K1486 PolarHBondContact OE1-NZ 3.46Å; E1483-K1486 IonicContact OE2-NZ 2.66Å; E1483-K1486 PolarHBondContact OE2-NZ 2.96Å; P1484-K1486 VanDerWaalsContact C-N 3.26Å; P1484-K1486 PolarHBondContact O-N 3.44Å; P1484-K1486 VanDerWaalsContact O-N 3.08Å |
| 1487 | A | 55.1 | Low | 64.5 | Low | 76 Ų | 76 | 69.9 Ų | 69.9 | 63% | 0.628 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -81.1 | -36.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1488 | D | 64.4 | Low | 65.9 | Low | 87 Ų | 87 | 67.8 Ų | 67.8 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.9 | -49.9 | -177.3 | -166.8 | 42.8 | 0 | 0 | 0 | 111 | W1490 G1491 R1492 | D1488-W1490 VanDerWaalsContact C-N 3.31Å; D1488-W1490 PolarHBondContact O-N 3.24Å; D1488-G1491 PolarHBondContact O-N 2.91Å; D1488-G1491 VanDerWaalsContact O-N 3.13Å; D1488-R1492 WeakPolarHBondContact O-CB 3.43Å; D1488-R1492 PolarHBondContact O-N 3.29Å; D1488-R1492 WeakPolarHBondContact OD2-CD 3.44Å; D1488-R1492 IonicContact OD2-CZ 3.13Å; D1488-R1492 IonicContact OD2-NE 2.69Å; D1488-R1492 IonicContact OD2-NH1 3.77Å; D1488-R1492 PolarHBondContact OD2-NH1 3.17Å |
| 1489 | I | 75.7 | Confident | 67.5 | Low | 20 Ų | 20 | 60 Ų | 60 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -36.7 | -173.9 | -61.8 | 177.3 | 0 | 0 | 0 | 112.8 | F1476 F1485 V1493 W1494 | F1476-I1489 HydrophobicContact CB-CD1 3.78Å; F1476-I1489 HydrophobicContact CD1-CD1 4.41Å; F1476-I1489 HydrophobicContact CD2-CD1 4.44Å; F1476-I1489 HydrophobicContact CG-CD1 3.97Å; F1485-I1489 HydrophobicContact CD1-CD1 3.61Å; F1485-I1489 HydrophobicContact CE1-CD1 3.3Å; F1485-I1489 HydrophobicContact CZ-CD1 4.02Å; I1489-V1493 HydrophobicContact CG2-CB 4.17Å; I1489-V1493 WeakPolarHBondContact O-CA 2.91Å; I1489-V1493 WeakPolarHBondContact O-CB 3.48Å; I1489-V1493 PolarHBondContact O-N 3.08Å; I1489-W1494 HydrophobicContact CG2-CD2 4.33Å; I1489-W1494 HydrophobicContact CG2-CE3 4.32Å; I1489-W1494 PolarHBondContact O-N 3.24Å |
| 1490 | W | 80.5 | Confident | 69.4 | Low | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -59.4 | -53.7 | 175.8 | 170.5 | -102.5 | 0 | 0 | 0 | 111.9 | D1488 W1494 Q1495 L1498 L1532 D1536 C1540 | D1488-W1490 VanDerWaalsContact C-N 3.31Å; D1488-W1490 PolarHBondContact O-N 3.24Å; W1490-W1494 HydrophobicContact CE3-CB 3.83Å; W1490-W1494 HydrophobicContact CE3-CE3 4.31Å; W1490-W1494 HydrophobicContact CZ3-CB 4.01Å; W1490-W1494 PolarHBondContact O-N 3.29Å; W1490-Q1495 HydrophobicContact CD2-CB 4.36Å; W1490-Q1495 HydrophobicContact CH2-CB 4.32Å; W1490-Q1495 HydrophobicContact CZ2-CB 3.8Å; W1490-Q1495 HydrophobicContact CZ2-CG 4.26Å; W1490-Q1495 VanDerWaalsContact O-CB 3.24Å; W1490-Q1495 WeakPolarHBondContact O-CB 3.43Å; W1490-Q1495 PolarHBondContact O-N 3.16Å; W1490-L1498 HydrophobicContact CH2-CD1 3.74Å; W1490-L1498 HydrophobicContact CZ3-CD1 3.84Å; W1490-L1532 HydrophobicContact CB-CD2 4.17Å; W1490-L1532 HydrophobicContact CD2-CD2 4.35Å; W1490-L1532 HydrophobicContact CE3-CD1 3.62Å; W1490-L1532 HydrophobicContact CE3-CD2 3.94Å; W1490-L1532 HydrophobicContact CE3-CG 4.46Å; W1490-L1532 HydrophobicContact CG-CD2 4.45Å; W1490-L1532 HydrophobicContact CZ3-CD1 3.74Å; W1490-D1536 HydrophobicContact CD2-CB 4.45Å; W1490-D1536 HydrophobicContact CG-CB 4.26Å; W1490-C1540 HydrophobicContact CH2-CB 3.61Å; W1490-C1540 HydrophobicContact CZ2-CB 3.75Å |
| 1491 | G | 77.1 | Confident | 71.8 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 42% | 0.423 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -74.6 | -28.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1488 P1496 | D1488-G1491 PolarHBondContact O-N 2.91Å; D1488-G1491 VanDerWaalsContact O-N 3.13Å; G1491-P1496 WeakPolarHBondContact O-CD 3.48Å; G1491-P1496 WeakPolarHBondContact O-CG 3.18Å |
| 1492 | R | 74.2 | Confident | 73.9 | Confident | 87 Ų | 87 | 45.6 Ų | 45.6 | 33% | 0.328 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -89 | -32.7 | -174.2 | -174.6 | 172.6 | 174.2 | -173.9 | -3.7 | 113.8 | D1377 D1488 | D1377-R1492 VanDerWaalsContact CG-NE 3.3Å; D1377-R1492 WeakPolarHBondContact OD1-CG 3.45Å; D1377-R1492 IonicContact OD1-CZ 2.71Å; D1377-R1492 IonicContact OD1-NE 2.78Å; D1377-R1492 PolarHBondContact OD1-NE 3.16Å; D1377-R1492 IonicContact OD1-NH2 3.57Å; D1377-R1492 IonicContact OD2-CZ 3.7Å; D1377-R1492 IonicContact OD2-NE 3.52Å; D1377-R1492 PolarHBondContact OD2-NE 3.02Å; D1377-R1492 VanDerWaalsContact OD2-NE 3.13Å; D1377-R1492 IonicContact OD2-NH2 3.99Å; D1377-R1492 PolarHBondContact OD2-NH2 3.33Å; D1488-R1492 WeakPolarHBondContact O-CB 3.43Å; D1488-R1492 PolarHBondContact O-N 3.29Å; D1488-R1492 WeakPolarHBondContact OD2-CD 3.44Å; D1488-R1492 IonicContact OD2-CZ 3.13Å; D1488-R1492 IonicContact OD2-NE 2.69Å; D1488-R1492 IonicContact OD2-NH1 3.77Å; D1488-R1492 PolarHBondContact OD2-NH1 3.17Å |
| 1493 | V | 80.3 | Confident | 76 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -124.2 | -63.5 | -172.4 | 171.9 | 0 | 0 | 0 | 0 | 112.6 | F1376 A1472 F1476 I1489 P1496 L1497 | F1376-V1493 HydrophobicContact CD1-CG1 4.23Å; F1376-V1493 HydrophobicContact CD1-CG2 3.76Å; F1376-V1493 HydrophobicContact CE1-CB 4.22Å; F1376-V1493 HydrophobicContact CE1-CG1 3.41Å; F1376-V1493 VanDerWaalsContact CE1-CG1 3.41Å; F1376-V1493 HydrophobicContact CE1-CG2 3.82Å; F1376-V1493 HydrophobicContact CZ-CG1 3.93Å; A1472-V1493 HydrophobicContact CB-CG1 3.63Å; F1476-V1493 HydrophobicContact CE2-CG2 3.93Å; F1476-V1493 HydrophobicContact CZ-CG2 4.4Å; I1489-V1493 HydrophobicContact CG2-CB 4.17Å; I1489-V1493 WeakPolarHBondContact O-CA 2.91Å; I1489-V1493 WeakPolarHBondContact O-CB 3.48Å; I1489-V1493 PolarHBondContact O-N 3.08Å; V1493-P1496 WeakPolarHBondContact O-CD 3.39Å; V1493-L1497 HydrophobicContact CG1-CD1 4.1Å; V1493-L1497 WeakPolarHBondContact O-CG 3.29Å; V1493-L1497 PolarHBondContact O-N 3.07Å |
| 1494 | W | 86.5 | Confident | 77.7 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -71.2 | -47.3 | -167.2 | -77.2 | -31.7 | 0 | 0 | 0 | 113.1 | F1469 I1489 W1490 L1497 L1498 E1528 L1529 L1532 | F1469-W1494 AromaticContact CD2-CD1 3.6Å; F1469-W1494 HydrophobicContact CD2-CG 4.39Å; F1469-W1494 HydrophobicContact CE2-CB 3.72Å; F1469-W1494 AromaticContact CE2-CD1 3.28Å; F1469-W1494 AromaticContact CE2-CG 3.72Å; F1469-W1494 HydrophobicContact CE2-CG 3.72Å; F1469-W1494 HydrophobicContact CZ-CB 4.35Å; F1469-W1494 AromaticContact CZ-CD1 3.71Å; F1469-W1494 HydrophobicContact CZ-CG 4.1Å; I1489-W1494 HydrophobicContact CG2-CD2 4.33Å; I1489-W1494 HydrophobicContact CG2-CE3 4.32Å; I1489-W1494 PolarHBondContact O-N 3.24Å; W1490-W1494 HydrophobicContact CE3-CB 3.83Å; W1490-W1494 HydrophobicContact CE3-CE3 4.31Å; W1490-W1494 HydrophobicContact CZ3-CB 4.01Å; W1490-W1494 PolarHBondContact O-N 3.29Å; W1494-L1497 PolarHBondContact O-N 3.21Å; W1494-L1498 WeakPolarHBondContact O-CB 3.45Å; W1494-L1498 WeakPolarHBondContact O-CG 3.14Å; W1494-L1498 PolarHBondContact O-N 3.3Å; W1494-E1528 HydrophobicContact CH2-CB 4.38Å; W1494-E1528 HydrophobicContact CZ2-CB 4.19Å; W1494-L1529 HydrophobicContact CD2-CD2 3.72Å; W1494-L1529 HydrophobicContact CE3-CD2 3.79Å; W1494-L1529 HydrophobicContact CG-CD2 4.17Å; W1494-L1529 HydrophobicContact CH2-CD2 4.32Å; W1494-L1529 HydrophobicContact CZ2-CD2 4.26Å; W1494-L1529 HydrophobicContact CZ3-CD2 4.09Å; W1494-L1532 HydrophobicContact CE3-CD2 4.03Å; W1494-L1532 HydrophobicContact CZ3-CD2 3.88Å; W1494-L1532 HydrophobicContact CZ3-CG 4.32Å |
| 1495 | Q | 86.4 | Confident | 79.5 | Confident | 26 Ų | 26 | 29.3 Ų | 29.3 | 12% | 0.121 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -48.1 | 175.7 | 177.6 | -172.4 | -61 | 0 | 0 | 111.6 | W1490 L1497 L1498 Q1499 N1543 V1544 | W1490-Q1495 HydrophobicContact CD2-CB 4.36Å; W1490-Q1495 HydrophobicContact CH2-CB 4.32Å; W1490-Q1495 HydrophobicContact CZ2-CB 3.8Å; W1490-Q1495 HydrophobicContact CZ2-CG 4.26Å; W1490-Q1495 VanDerWaalsContact O-CB 3.24Å; W1490-Q1495 WeakPolarHBondContact O-CB 3.43Å; W1490-Q1495 PolarHBondContact O-N 3.16Å; Q1495-L1497 VanDerWaalsContact C-N 3.34Å; Q1495-L1497 PolarHBondContact O-N 3.07Å; Q1495-L1498 PolarHBondContact O-N 3.49Å; Q1495-Q1499 HydrophobicContact CG-CG 4.36Å; Q1495-Q1499 WeakPolarHBondContact O-CB 3.4Å; Q1495-Q1499 VanDerWaalsContact O-CG 3.28Å; Q1495-Q1499 WeakPolarHBondContact O-CG 3.39Å; Q1495-Q1499 PolarHBondContact O-N 3.41Å; Q1495-N1543 HydrophobicContact CG-CB 4.1Å; Q1495-N1543 PolarHBondContact NE2-ND2 2.89Å; Q1495-N1543 PolarHBondContact OE1-ND2 2.87Å; Q1495-V1544 HydrophobicContact CG-CG2 4.5Å |
| 1496 | P | 86 | Confident | 81 | Confident | 11 Ų | 11 | 26.1 Ų | 26.1 | 7% | 0.071 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -51.4 | -44.5 | 174.4 | -35.8 | 39.6 | 0 | 0 | 0 | 116.1 | V1380 R1384 G1491 V1493 A1500 | V1380-P1496 HydrophobicContact CG1-CB 3.66Å; R1384-P1496 PolarHBondContact NE-O 2.68Å; R1384-P1496 VanDerWaalsContact NH2-CA 3.35Å; R1384-P1496 PolarHBondContact NH2-O 3.31Å; G1491-P1496 WeakPolarHBondContact O-CD 3.48Å; G1491-P1496 WeakPolarHBondContact O-CG 3.18Å; V1493-P1496 WeakPolarHBondContact O-CD 3.39Å; P1496-A1500 PolarHBondContact O-N 3Å; P1496-A1500 VanDerWaalsContact O-N 3.1Å |
| 1497 | L | 89.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -75.8 | -37.4 | -178.3 | -70.5 | 171 | 0 | 0 | 0 | 112.4 | V1380 T1465 L1468 F1469 V1493 W1494 Q1495 Q1499 A1500 M1501 | V1380-L1497 HydrophobicContact CG1-CD2 4.14Å; V1380-L1497 HydrophobicContact CG1-CG 4.15Å; V1380-L1497 HydrophobicContact CG2-CD1 4.18Å; V1380-L1497 HydrophobicContact CG2-CD2 4.16Å; V1380-L1497 HydrophobicContact CG2-CG 4.19Å; T1465-L1497 HydrophobicContact CG2-CB 4.39Å; T1465-L1497 HydrophobicContact CG2-CD2 3.77Å; L1468-L1497 HydrophobicContact CB-CD1 4.49Å; L1468-L1497 HydrophobicContact CD2-CD2 4.28Å; L1468-L1497 HydrophobicContact CG-CD1 4.26Å; F1469-L1497 HydrophobicContact CB-CB 4.44Å; F1469-L1497 HydrophobicContact CB-CD1 4.08Å; F1469-L1497 HydrophobicContact CD2-CB 3.8Å; F1469-L1497 HydrophobicContact CD2-CD1 4.22Å; V1493-L1497 HydrophobicContact CG1-CD1 4.1Å; V1493-L1497 WeakPolarHBondContact O-CG 3.29Å; V1493-L1497 PolarHBondContact O-N 3.07Å; W1494-L1497 PolarHBondContact O-N 3.21Å; Q1495-L1497 VanDerWaalsContact C-N 3.34Å; Q1495-L1497 PolarHBondContact O-N 3.07Å; L1497-Q1499 VanDerWaalsContact C-N 3.34Å; L1497-A1500 WeakPolarHBondContact O-CB 3.44Å; L1497-A1500 PolarHBondContact O-N 2.73Å; L1497-M1501 HydrophobicContact CB-CE 4.34Å; L1497-M1501 WeakPolarHBondContact O-CE 3.4Å; L1497-M1501 PolarHBondContact O-N 3.29Å |
| 1498 | L | 89.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 171.2 | -70.2 | 167.3 | 0 | 0 | 0 | 111.4 | F1469 W1490 W1494 Q1495 A1500 M1501 A1502 L1520 L1524 V1544 | F1469-L1498 HydrophobicContact CD2-CG 4.36Å; F1469-L1498 HydrophobicContact CE2-CD1 3.94Å; F1469-L1498 HydrophobicContact CE2-CD2 3.89Å; F1469-L1498 HydrophobicContact CE2-CG 3.55Å; F1469-L1498 HydrophobicContact CZ-CD1 4.1Å; F1469-L1498 HydrophobicContact CZ-CD2 3.91Å; F1469-L1498 HydrophobicContact CZ-CG 3.97Å; W1490-L1498 HydrophobicContact CH2-CD1 3.74Å; W1490-L1498 HydrophobicContact CZ3-CD1 3.84Å; W1494-L1498 WeakPolarHBondContact O-CB 3.45Å; W1494-L1498 WeakPolarHBondContact O-CG 3.14Å; W1494-L1498 PolarHBondContact O-N 3.3Å; Q1495-L1498 PolarHBondContact O-N 3.49Å; L1498-A1500 VanDerWaalsContact C-N 3.28Å; L1498-A1500 PolarHBondContact O-N 3.18Å; L1498-M1501 HydrophobicContact CD2-CE 4.31Å; L1498-M1501 PolarHBondContact O-N 3.04Å; L1498-A1502 VanDerWaalsContact O-CB 3.31Å; L1498-A1502 WeakPolarHBondContact O-CB 3.36Å; L1498-A1502 PolarHBondContact O-N 3Å; L1498-L1520 HydrophobicContact CB-CD1 4.4Å; L1498-L1520 HydrophobicContact CD2-CD1 3.58Å; L1498-L1524 HydrophobicContact CD2-CD2 4.32Å; L1498-L1524 HydrophobicContact CD2-CG 4.42Å; L1498-V1544 HydrophobicContact CB-CG1 4.03Å; L1498-V1544 HydrophobicContact CB-CG2 3.94Å |
| 1499 | Q | 88.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61 | -35.6 | 172.6 | -73.8 | -179.7 | -31.1 | 0 | 0 | 112.2 | F1335 L1340 Q1495 L1497 R1503 N1543 V1544 | F1335-Q1499 HydrophobicContact CD1-CB 4.27Å; F1335-Q1499 HydrophobicContact CD1-CG 4.48Å; F1335-Q1499 HydrophobicContact CE1-CB 3.95Å; L1340-Q1499 HydrophobicContact CD2-CB 3.9Å; L1340-Q1499 HydrophobicContact CD2-CG 3.8Å; Q1495-Q1499 HydrophobicContact CG-CG 4.36Å; Q1495-Q1499 WeakPolarHBondContact O-CB 3.4Å; Q1495-Q1499 VanDerWaalsContact O-CG 3.28Å; Q1495-Q1499 WeakPolarHBondContact O-CG 3.39Å; Q1495-Q1499 PolarHBondContact O-N 3.41Å; L1497-Q1499 VanDerWaalsContact C-N 3.34Å; Q1499-R1503 WeakPolarHBondContact O-CB 3.24Å; Q1499-R1503 PolarHBondContact O-N 2.92Å; Q1499-N1543 WeakPolarHBondContact CG-O 3.5Å; Q1499-N1543 PolarHBondContact NE2-O 3.31Å; Q1499-V1544 HydrophobicContact CG-CG2 4.19Å |
| 1500 | A | 87.5 | Confident | 85.1 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.6 | -45.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1384 I1387 T1465 P1496 L1497 L1498 A1502 R1503 L1504 | R1384-A1500 HydrophobicContact CG-CB 3.97Å; I1387-A1500 HydrophobicContact CD1-CB 4.19Å; T1465-A1500 HydrophobicContact CG2-CB 3.92Å; P1496-A1500 PolarHBondContact O-N 3Å; P1496-A1500 VanDerWaalsContact O-N 3.1Å; L1497-A1500 WeakPolarHBondContact O-CB 3.44Å; L1497-A1500 PolarHBondContact O-N 2.73Å; L1498-A1500 VanDerWaalsContact C-N 3.28Å; L1498-A1500 PolarHBondContact O-N 3.18Å; A1500-A1502 VanDerWaalsContact C-N 3.32Å; A1500-A1502 PolarHBondContact O-N 3.5Å; A1500-R1503 PolarHBondContact O-N 2.71Å; A1500-R1503 VanDerWaalsContact O-N 3.16Å; A1500-L1504 PolarHBondContact O-N 2.79Å |
| 1501 | M | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 173.5 | -70.1 | 179.4 | -100.2 | 0 | 0 | 111.5 | L1462 T1465 Y1466 F1469 L1497 L1498 L1504 C1505 L1520 S1523 | L1462-M1501 HydrophobicContact CD1-CB 4.42Å; L1462-M1501 HydrophobicContact CD1-CG 4.04Å; T1465-M1501 HydrophobicContact CG2-CE 4.28Å; T1465-M1501 HydrophobicContact CG2-CG 3.81Å; Y1466-M1501 HydrophobicContact CD2-SD 4.49Å; F1469-M1501 HydrophobicContact CB-CE 3.99Å; F1469-M1501 HydrophobicContact CD2-CE 4.02Å; F1469-M1501 HydrophobicContact CG-CE 3.96Å; L1497-M1501 HydrophobicContact CB-CE 4.34Å; L1497-M1501 WeakPolarHBondContact O-CE 3.4Å; L1497-M1501 PolarHBondContact O-N 3.29Å; L1498-M1501 HydrophobicContact CD2-CE 4.31Å; L1498-M1501 PolarHBondContact O-N 3.04Å; M1501-L1504 PolarHBondContact O-N 2.83Å; M1501-C1505 PolarHBondContact O-SG 3.41Å; M1501-L1520 HydrophobicContact CB-CB 4.18Å; M1501-L1520 HydrophobicContact CB-CD1 4.24Å; M1501-S1523 WeakPolarHBondContact CE-OG 3.07Å; M1501-S1523 PolarHBondContact SD-OG 2.84Å |
| 1502 | A | 89.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1340 L1498 A1500 L1504 C1505 F1506 L1520 V1544 L1548 | L1340-A1502 HydrophobicContact CD1-CB 3.72Å; L1340-A1502 HydrophobicContact CD2-CB 4.14Å; L1498-A1502 VanDerWaalsContact O-CB 3.31Å; L1498-A1502 WeakPolarHBondContact O-CB 3.36Å; L1498-A1502 PolarHBondContact O-N 3Å; A1500-A1502 VanDerWaalsContact C-N 3.32Å; A1500-A1502 PolarHBondContact O-N 3.5Å; A1502-L1504 VanDerWaalsContact C-N 3.31Å; A1502-L1504 PolarHBondContact O-N 3.34Å; A1502-C1505 VanDerWaalsContact O-CB 3.22Å; A1502-C1505 WeakPolarHBondContact O-CB 3.43Å; A1502-C1505 PolarHBondContact O-N 2.85Å; A1502-C1505 VanDerWaalsContact O-N 3.07Å; A1502-F1506 WeakPolarHBondContact O-CD2 3.42Å; A1502-F1506 VanDerWaalsContact O-CE2 3.24Å; A1502-F1506 WeakPolarHBondContact O-CE2 3.45Å; A1502-L1520 HydrophobicContact CB-CD2 4.05Å; A1502-V1544 HydrophobicContact CB-CG1 4.13Å; A1502-L1548 HydrophobicContact CB-CB 4.35Å; A1502-L1548 HydrophobicContact CB-CD1 4.35Å; A1502-L1548 HydrophobicContact CB-CD2 4.39Å |
| 1503 | R | 87 | Confident | 86.8 | Confident | 36 Ų | 36 | 24.3 Ų | 24.3 | 14% | 0.136 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -31 | 178.3 | -174.6 | 54.4 | 175.4 | 143.9 | -1.9 | 113.4 | L1340 E1388 L1391 Q1499 A1500 C1505 F1506 | L1340-R1503 WeakPolarHBondContact O-CD 3.29Å; E1388-R1503 IonicContact OE1-CZ 3.65Å; E1388-R1503 IonicContact OE1-NE 2.73Å; E1388-R1503 PolarHBondContact OE1-NE 3.24Å; E1388-R1503 IonicContact OE1-NH2 3.35Å; E1388-R1503 PolarHBondContact OE1-NH2 2.9Å; E1388-R1503 WeakPolarHBondContact OE2-CG 3.41Å; E1388-R1503 IonicContact OE2-CZ 2.75Å; E1388-R1503 IonicContact OE2-NE 3.67Å; E1388-R1503 PolarHBondContact OE2-NE 2.99Å; E1388-R1503 IonicContact OE2-NH2 3.74Å; L1391-R1503 VanDerWaalsContact CD2-NH2 3.3Å; Q1499-R1503 WeakPolarHBondContact O-CB 3.24Å; Q1499-R1503 PolarHBondContact O-N 2.92Å; A1500-R1503 PolarHBondContact O-N 2.71Å; A1500-R1503 VanDerWaalsContact O-N 3.16Å; R1503-C1505 VanDerWaalsContact C-N 3.29Å; R1503-C1505 PolarHBondContact O-N 3.36Å; R1503-F1506 WeakPolarHBondContact O-CD2 3.39Å; R1503-F1506 PolarHBondContact O-N 3.18Å |
| 1504 | L | 88 | Confident | 87.2 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -79.5 | -6.4 | 173.8 | -74.4 | 172.2 | 0 | 0 | 0 | 114.4 | I1387 L1391 L1462 A1500 M1501 A1502 F1506 D1507 V1512 A1516 | I1387-L1504 HydrophobicContact CD1-CD1 3.97Å; I1387-L1504 HydrophobicContact CG1-CD1 4.04Å; I1387-L1504 HydrophobicContact CG2-CD1 4Å; I1387-L1504 HydrophobicContact CG2-CD2 3.96Å; I1387-L1504 HydrophobicContact CG2-CG 3.69Å; L1391-L1504 HydrophobicContact CD1-CD2 4.04Å; L1462-L1504 HydrophobicContact CB-CD1 3.84Å; L1462-L1504 HydrophobicContact CD1-CB 4.33Å; L1462-L1504 HydrophobicContact CD1-CD1 3.74Å; L1462-L1504 HydrophobicContact CG-CD1 4.3Å; A1500-L1504 PolarHBondContact O-N 2.79Å; M1501-L1504 PolarHBondContact O-N 2.83Å; A1502-L1504 VanDerWaalsContact C-N 3.31Å; A1502-L1504 PolarHBondContact O-N 3.34Å; L1504-F1506 PolarHBondContact O-N 3.2Å; L1504-D1507 PolarHBondContact O-N 3.31Å; L1504-V1512 HydrophobicContact CB-CG1 4.22Å; L1504-V1512 HydrophobicContact CD2-CG1 3.97Å; L1504-A1516 HydrophobicContact CB-CB 3.81Å |
| 1505 | C | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -69.9 | -8 | 169.4 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | M1501 A1502 R1503 R1513 V1517 L1548 T1568 | M1501-C1505 PolarHBondContact O-SG 3.41Å; A1502-C1505 VanDerWaalsContact O-CB 3.22Å; A1502-C1505 WeakPolarHBondContact O-CB 3.43Å; A1502-C1505 PolarHBondContact O-N 2.85Å; A1502-C1505 VanDerWaalsContact O-N 3.07Å; R1503-C1505 VanDerWaalsContact C-N 3.29Å; R1503-C1505 PolarHBondContact O-N 3.36Å; C1505-R1513 WeakPolarHBondContact O-CD 3.37Å; C1505-R1513 WeakPolarHBondContact O-CG 3.47Å; C1505-V1517 HydrophobicContact CB-CG2 4.13Å; C1505-V1517 VanDerWaalsContact SG-CG2 3.53Å; C1505-L1548 HydrophobicContact CB-CD1 3.74Å; C1505-T1568 HydrophobicContact CB-CG2 4.26Å |
| 1506 | F | 81.9 | Confident | 87.8 | Confident | 18 Ų | 18 | 25.3 Ų | 25.3 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -101.1 | -3.7 | 179.1 | -61.1 | -71.1 | 0 | 0 | 0 | 114.9 | L1340 A1502 R1503 L1504 R1508 L1548 A1551 L1552 | L1340-F1506 HydrophobicContact CD1-CE2 3.72Å; L1340-F1506 HydrophobicContact CD1-CZ 4.33Å; A1502-F1506 WeakPolarHBondContact O-CD2 3.42Å; A1502-F1506 VanDerWaalsContact O-CE2 3.24Å; A1502-F1506 WeakPolarHBondContact O-CE2 3.45Å; R1503-F1506 WeakPolarHBondContact O-CD2 3.39Å; R1503-F1506 PolarHBondContact O-N 3.18Å; L1504-F1506 PolarHBondContact O-N 3.2Å; F1506-R1508 PolarHBondContact O-N 2.73Å; F1506-L1548 HydrophobicContact CE2-CD1 3.87Å; F1506-L1548 HydrophobicContact CZ-CD1 3.67Å; F1506-L1548 WeakPolarHBondContact CZ-O 3.46Å; F1506-A1551 HydrophobicContact CD1-CB 4.24Å; F1506-A1551 HydrophobicContact CE1-CB 3.44Å; F1506-A1551 VanDerWaalsContact CE1-CB 3.44Å; F1506-A1551 HydrophobicContact CE2-CB 4.12Å; F1506-A1551 HydrophobicContact CZ-CB 3.36Å; F1506-L1552 HydrophobicContact CD1-CD2 4.07Å; F1506-L1552 HydrophobicContact CD1-CG 4.39Å; F1506-L1552 HydrophobicContact CE1-CB 4.12Å; F1506-L1552 HydrophobicContact CE1-CD2 3.67Å; F1506-L1552 HydrophobicContact CE1-CG 3.5Å; F1506-L1552 HydrophobicContact CZ-CD2 4.49Å; F1506-L1552 HydrophobicContact CZ-CG 3.98Å |
| 1507 | D | 84.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -64.3 | 136 | -173.7 | -167.1 | -76.2 | 0 | 0 | 0 | 111.4 | L1391 N1392 L1504 R1509 V1512 R1513 | L1391-D1507 HydrophobicContact CD1-CB 4.02Å; N1392-D1507 PolarHBondContact N-OD2 3.35Å; N1392-D1507 WeakPolarHBondContact OD1-CA 3.29Å; L1504-D1507 PolarHBondContact O-N 3.31Å; D1507-R1509 PolarHBondContact O-N 3.1Å; D1507-R1509 VanDerWaalsContact OD1-CB 3.24Å; D1507-R1509 WeakPolarHBondContact OD1-CB 3.45Å; D1507-R1509 WeakPolarHBondContact OD1-CG 3.41Å; D1507-R1509 IonicContact OD1-CZ 2.76Å; D1507-R1509 PolarHBondContact OD1-N 2.92Å; D1507-R1509 IonicContact OD1-NE 2.81Å; D1507-R1509 PolarHBondContact OD1-NE 3.48Å; D1507-R1509 IonicContact OD1-NH2 3.96Å; D1507-R1509 IonicContact OD2-CZ 3.69Å; D1507-R1509 IonicContact OD2-NE 2.78Å; D1507-R1509 IonicContact OD2-NH2 3.13Å; D1507-R1509 PolarHBondContact OD2-NH2 2.79Å; D1507-V1512 HydrophobicContact CB-CB 3.93Å; D1507-V1512 HydrophobicContact CB-CG1 3.71Å; D1507-R1513 WeakPolarHBondContact O-CD 3.48Å; D1507-R1513 WeakPolarHBondContact O-CG 3.47Å; D1507-R1513 PolarHBondContact O-NH1 2.91Å | ||
| 1508 | R | 80.7 | Confident | 88 | Confident | 154 Ų | 154 | 27.5 Ų | 27.5 | 58% | 0.581 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -52.1 | -30.4 | 177.3 | -76.7 | 176.6 | 177.8 | -175.8 | -8.4 | 113.3 | N1392 F1506 K1510 R1513 | N1392-R1508 HydrophobicContact CB-CG 4.24Å; N1392-R1508 PolarHBondContact OD1-N 3.13Å; F1506-R1508 PolarHBondContact O-N 2.73Å; R1508-K1510 PolarHBondContact O-N 2.88Å; R1508-R1513 PolarHBondContact O-NH1 3.45Å |
| 1509 | R | 86.1 | Confident | 88.1 | Confident | 28 Ų | 28 | 28.3 Ų | 28.3 | 11% | 0.106 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -82.2 | 110.5 | -176.8 | -59.7 | 162.5 | -68.4 | -175.4 | -1.6 | 110.7 | G1390 G1393 Y1454 L1455 D1507 V1511 V1512 R1513 | G1390-R1509 PolarHBondContact O-NH2 3.06Å; G1393-R1509 VanDerWaalsContact N-CZ 3.32Å; Y1454-R1509 PolarHBondContact O-NH1 3.32Å; L1455-R1509 HydrophobicContact CD1-CB 4.24Å; D1507-R1509 PolarHBondContact O-N 3.1Å; D1507-R1509 VanDerWaalsContact OD1-CB 3.24Å; D1507-R1509 WeakPolarHBondContact OD1-CB 3.45Å; D1507-R1509 WeakPolarHBondContact OD1-CG 3.41Å; D1507-R1509 IonicContact OD1-CZ 2.76Å; D1507-R1509 PolarHBondContact OD1-N 2.92Å; D1507-R1509 IonicContact OD1-NE 2.81Å; D1507-R1509 PolarHBondContact OD1-NE 3.48Å; D1507-R1509 IonicContact OD1-NH2 3.96Å; D1507-R1509 IonicContact OD2-CZ 3.69Å; D1507-R1509 IonicContact OD2-NE 2.78Å; D1507-R1509 IonicContact OD2-NH2 3.13Å; D1507-R1509 PolarHBondContact OD2-NH2 2.79Å; R1509-V1511 VanDerWaalsContact C-N 3.26Å; R1509-V1511 PolarHBondContact O-N 2.94Å; R1509-V1511 VanDerWaalsContact O-N 3.08Å; R1509-V1512 HydrophobicContact CB-CG2 4.01Å; R1509-V1512 WeakPolarHBondContact O-CB 3.14Å; R1509-V1512 PolarHBondContact O-N 3.46Å; R1509-R1513 PolarHBondContact O-N 2.86Å |
| 1510 | K | 85.7 | Confident | 88.3 | Confident | 100 Ų | 100 | 28.2 Ų | 28.2 | 44% | 0.435 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -48.4 | -42.6 | -175.7 | 175.6 | 167.7 | 179.1 | 161.6 | 0 | 114 | R1508 V1512 R1513 S1514 E1567 | R1508-K1510 PolarHBondContact O-N 2.88Å; K1510-V1512 PolarHBondContact O-N 3.41Å; K1510-R1513 PolarHBondContact O-N 2.84Å; K1510-S1514 PolarHBondContact O-N 3.13Å; K1510-S1514 PolarHBondContact O-OG 3.2Å; K1510-E1567 WeakPolarHBondContact CE-OE2 2.98Å; K1510-E1567 IonicContact NZ-OE2 3.5Å; K1510-E1567 PolarHBondContact NZ-OE2 2.75Å |
| 1511 | V | 88.9 | Confident | 88.4 | Confident | 82 Ų | 82 | 31.7 Ų | 31.7 | 50% | 0.497 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.5 | -36.2 | -178.8 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | L1455 L1459 R1509 T1515 | L1455-V1511 HydrophobicContact CD1-CB 4.5Å; L1459-V1511 HydrophobicContact CD1-CG1 4.04Å; L1459-V1511 HydrophobicContact CD2-CG1 4.29Å; R1509-V1511 VanDerWaalsContact C-N 3.26Å; R1509-V1511 PolarHBondContact O-N 2.94Å; R1509-V1511 VanDerWaalsContact O-N 3.08Å; V1511-T1515 WeakPolarHBondContact O-CB 3.43Å; V1511-T1515 PolarHBondContact O-N 3.43Å; V1511-T1515 PolarHBondContact O-OG1 3.05Å |
| 1512 | V | 89.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.9 | -50.8 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 110 | L1455 A1458 L1459 L1504 D1507 R1509 K1510 S1514 T1515 A1516 | L1455-V1512 HydrophobicContact CD1-CG2 3.73Å; A1458-V1512 HydrophobicContact CB-CG1 4.4Å; A1458-V1512 HydrophobicContact CB-CG2 4.06Å; L1459-V1512 HydrophobicContact CD2-CG2 4.22Å; L1459-V1512 HydrophobicContact CG-CG2 4.4Å; L1504-V1512 HydrophobicContact CB-CG1 4.22Å; L1504-V1512 HydrophobicContact CD2-CG1 3.97Å; D1507-V1512 HydrophobicContact CB-CB 3.93Å; D1507-V1512 HydrophobicContact CB-CG1 3.71Å; R1509-V1512 HydrophobicContact CB-CG2 4.01Å; R1509-V1512 WeakPolarHBondContact O-CB 3.14Å; R1509-V1512 PolarHBondContact O-N 3.46Å; K1510-V1512 PolarHBondContact O-N 3.41Å; V1512-S1514 PolarHBondContact O-N 3.08Å; V1512-T1515 PolarHBondContact O-N 3.06Å; V1512-A1516 VanDerWaalsContact O-CB 3.28Å; V1512-A1516 WeakPolarHBondContact O-CB 3.25Å; V1512-A1516 PolarHBondContact O-N 2.92Å |
| 1513 | R | 89.4 | Confident | 88.2 | Confident | 19 Ų | 19 | 38 Ų | 38 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 178.4 | -57.4 | -166 | -64.1 | -89.9 | 7.6 | 112.8 | C1505 D1507 R1508 R1509 K1510 T1515 A1516 V1517 G1564 T1568 | C1505-R1513 WeakPolarHBondContact O-CD 3.37Å; C1505-R1513 WeakPolarHBondContact O-CG 3.47Å; D1507-R1513 WeakPolarHBondContact O-CD 3.48Å; D1507-R1513 WeakPolarHBondContact O-CG 3.47Å; D1507-R1513 PolarHBondContact O-NH1 2.91Å; R1508-R1513 PolarHBondContact O-NH1 3.45Å; R1509-R1513 PolarHBondContact O-N 2.86Å; K1510-R1513 PolarHBondContact O-N 2.84Å; R1513-T1515 VanDerWaalsContact C-N 3.29Å; R1513-T1515 PolarHBondContact O-N 3.28Å; R1513-A1516 PolarHBondContact O-N 3.1Å; R1513-V1517 PolarHBondContact O-N 3.34Å; R1513-G1564 VanDerWaalsContact NH2-C 3.28Å; R1513-G1564 PolarHBondContact NH2-O 2.72Å; R1513-T1568 HydrophobicContact CB-CG2 4.26Å |
| 1514 | S | 88.8 | Confident | 88.2 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 19% | 0.189 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | -178.9 | -64.7 | 0 | 0 | 0 | 0 | 112 | K1510 V1512 T1518 | K1510-S1514 PolarHBondContact O-N 3.13Å; K1510-S1514 PolarHBondContact O-OG 3.2Å; V1512-S1514 PolarHBondContact O-N 3.08Å; S1514-T1518 WeakPolarHBondContact O-CB 3.44Å; S1514-T1518 PolarHBondContact O-N 3.39Å; S1514-T1518 PolarHBondContact O-OG1 2.94Å |
| 1515 | T | 91.7 | Very high | 87.9 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 30% | 0.301 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73 | -41.6 | 175.4 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | L1459 L1462 V1511 V1512 R1513 T1518 L1519 | L1459-T1515 HydrophobicContact CD2-CG2 4.29Å; L1462-T1515 HydrophobicContact CD2-CG2 3.68Å; V1511-T1515 WeakPolarHBondContact O-CB 3.43Å; V1511-T1515 PolarHBondContact O-N 3.43Å; V1511-T1515 PolarHBondContact O-OG1 3.05Å; V1512-T1515 PolarHBondContact O-N 3.06Å; R1513-T1515 VanDerWaalsContact C-N 3.29Å; R1513-T1515 PolarHBondContact O-N 3.28Å; T1515-T1518 PolarHBondContact O-N 2.87Å; T1515-T1518 VanDerWaalsContact O-N 3.15Å; T1515-L1519 HydrophobicContact CG2-CD1 3.99Å; T1515-L1519 HydrophobicContact CG2-CG 4.44Å; T1515-L1519 PolarHBondContact O-N 3.49Å |
| 1516 | A | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1462 L1504 V1512 R1513 T1518 L1519 L1520 | L1462-A1516 HydrophobicContact CD1-CB 4.02Å; L1462-A1516 HydrophobicContact CD2-CB 4Å; L1504-A1516 HydrophobicContact CB-CB 3.81Å; V1512-A1516 VanDerWaalsContact O-CB 3.28Å; V1512-A1516 WeakPolarHBondContact O-CB 3.25Å; V1512-A1516 PolarHBondContact O-N 2.92Å; R1513-A1516 PolarHBondContact O-N 3.1Å; A1516-T1518 VanDerWaalsContact C-N 3.3Å; A1516-T1518 PolarHBondContact O-N 3.25Å; A1516-L1519 PolarHBondContact O-N 2.92Å; A1516-L1520 VanDerWaalsContact O-CB 3.26Å; A1516-L1520 WeakPolarHBondContact O-CB 3.31Å; A1516-L1520 PolarHBondContact O-N 3.02Å |
| 1517 | V | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | C1505 R1513 L1520 Q1521 T1568 R1571 | C1505-V1517 HydrophobicContact CB-CG2 4.13Å; C1505-V1517 VanDerWaalsContact SG-CG2 3.53Å; R1513-V1517 PolarHBondContact O-N 3.34Å; V1517-L1520 PolarHBondContact O-N 3.27Å; V1517-Q1521 WeakPolarHBondContact O-CB 3.46Å; V1517-Q1521 PolarHBondContact O-N 3.08Å; V1517-T1568 HydrophobicContact CG2-CG2 3.56Å; V1517-R1571 HydrophobicContact CG1-CB 3.66Å; V1517-R1571 HydrophobicContact CG1-CG 4.46Å |
| 1518 | T | 91.9 | Very high | 86.9 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 34% | 0.344 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.6 | -39.6 | -179 | -58.5 | 0 | 0 | 0 | 0 | 112 | S1514 T1515 A1516 R1522 | S1514-T1518 WeakPolarHBondContact O-CB 3.44Å; S1514-T1518 PolarHBondContact O-N 3.39Å; S1514-T1518 PolarHBondContact O-OG1 2.94Å; T1515-T1518 PolarHBondContact O-N 2.87Å; T1515-T1518 VanDerWaalsContact O-N 3.15Å; A1516-T1518 VanDerWaalsContact C-N 3.3Å; A1516-T1518 PolarHBondContact O-N 3.25Å; T1518-R1522 WeakPolarHBondContact O-CG 3.48Å; T1518-R1522 PolarHBondContact O-N 2.67Å; T1518-R1522 VanDerWaalsContact O-N 3.12Å |
| 1519 | L | 91.7 | Very high | 86.7 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -75.5 | -37.7 | 176 | -70.4 | 174.1 | 0 | 0 | 0 | 112.1 | L1462 Y1466 T1515 A1516 Q1521 R1522 S1523 | L1462-L1519 HydrophobicContact CD2-CD1 3.95Å; L1462-L1519 HydrophobicContact CG-CD1 3.81Å; Y1466-L1519 HydrophobicContact CD1-CD2 3.91Å; Y1466-L1519 HydrophobicContact CD2-CB 4.21Å; Y1466-L1519 HydrophobicContact CD2-CD2 4Å; Y1466-L1519 HydrophobicContact CE1-CD2 4.21Å; Y1466-L1519 HydrophobicContact CE2-CD2 4.32Å; Y1466-L1519 HydrophobicContact CG-CB 4.43Å; Y1466-L1519 HydrophobicContact CG-CD2 3.8Å; Y1466-L1519 HydrophobicContact CG-CG 4.5Å; T1515-L1519 HydrophobicContact CG2-CD1 3.99Å; T1515-L1519 HydrophobicContact CG2-CG 4.44Å; T1515-L1519 PolarHBondContact O-N 3.49Å; A1516-L1519 PolarHBondContact O-N 2.92Å; L1519-Q1521 PolarHBondContact O-N 2.76Å; L1519-R1522 PolarHBondContact O-N 3.26Å; L1519-S1523 PolarHBondContact O-N 3.09Å; L1519-S1523 PolarHBondContact O-OG 3.39Å |
| 1520 | L | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -47.5 | 171.7 | -179 | 55.8 | 0 | 0 | 0 | 111.5 | L1498 M1501 A1502 A1516 V1517 R1522 S1523 L1524 L1548 M1575 | L1498-L1520 HydrophobicContact CB-CD1 4.4Å; L1498-L1520 HydrophobicContact CD2-CD1 3.58Å; M1501-L1520 HydrophobicContact CB-CB 4.18Å; M1501-L1520 HydrophobicContact CB-CD1 4.24Å; A1502-L1520 HydrophobicContact CB-CD2 4.05Å; A1516-L1520 VanDerWaalsContact O-CB 3.26Å; A1516-L1520 WeakPolarHBondContact O-CB 3.31Å; A1516-L1520 PolarHBondContact O-N 3.02Å; V1517-L1520 PolarHBondContact O-N 3.27Å; L1520-R1522 VanDerWaalsContact C-N 3.31Å; L1520-R1522 PolarHBondContact O-N 3.48Å; L1520-S1523 WeakPolarHBondContact O-CB 3.25Å; L1520-S1523 PolarHBondContact O-N 3.05Å; L1520-L1524 HydrophobicContact CD1-CD1 4.28Å; L1520-L1524 HydrophobicContact CG-CD1 4.24Å; L1520-L1524 WeakPolarHBondContact O-CD1 3.46Å; L1520-L1524 WeakPolarHBondContact O-CG 3.34Å; L1520-L1524 PolarHBondContact O-N 2.79Å; L1520-L1548 HydrophobicContact CD2-CD2 3.81Å; L1520-M1575 HydrophobicContact CD2-CE 3.62Å; L1520-M1575 HydrophobicContact CG-CE 3.82Å; L1520-M1575 HydrophobicContact CG-SD 4.21Å |
| 1521 | Q | 89.5 | Confident | 85.5 | Confident | 75 Ų | 75 | 51 Ų | 51 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 175.3 | -170.4 | -171.9 | -19.7 | 0 | 0 | 112 | V1517 L1519 L1525 M1575 | V1517-Q1521 WeakPolarHBondContact O-CB 3.46Å; V1517-Q1521 PolarHBondContact O-N 3.08Å; L1519-Q1521 PolarHBondContact O-N 2.76Å; Q1521-L1525 WeakPolarHBondContact O-CG 3.38Å; Q1521-M1575 VanDerWaalsContact CA-SD 3.59Å; Q1521-M1575 HydrophobicContact CB-SD 3.7Å; Q1521-M1575 HydrophobicContact CG-CG 4.42Å; Q1521-M1575 HydrophobicContact CG-SD 4.18Å |
| 1522 | R | 89.2 | Confident | 84.9 | Confident | 132 Ų | 132 | 47.6 Ų | 47.6 | 50% | 0.498 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 175.5 | -78.3 | 174.6 | 56.5 | 160.4 | -0.1 | 112.3 | Y1466 T1518 L1519 L1520 L1524 L1525 | Y1466-R1522 HydrophobicContact CE2-CB 3.89Å; Y1466-R1522 PolarHBondContact OH-NE 3.22Å; Y1466-R1522 PolarHBondContact OH-NH2 3.12Å; Y1466-R1522 VanDerWaalsContact OH-NH2 3.1Å; T1518-R1522 WeakPolarHBondContact O-CG 3.48Å; T1518-R1522 PolarHBondContact O-N 2.67Å; T1518-R1522 VanDerWaalsContact O-N 3.12Å; L1519-R1522 PolarHBondContact O-N 3.26Å; L1520-R1522 VanDerWaalsContact C-N 3.31Å; L1520-R1522 PolarHBondContact O-N 3.48Å; R1522-L1524 VanDerWaalsContact C-N 3.3Å; R1522-L1524 PolarHBondContact O-N 3.32Å; R1522-L1525 PolarHBondContact O-N 2.85Å |
| 1523 | S | 88.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -45.2 | 177.6 | -63 | 0 | 0 | 0 | 0 | 111.6 | Y1466 M1501 L1519 L1520 L1525 I1526 L1529 | Y1466-S1523 WeakPolarHBondContact CD2-OG 3.35Å; M1501-S1523 WeakPolarHBondContact CE-OG 3.07Å; M1501-S1523 PolarHBondContact SD-OG 2.84Å; L1519-S1523 PolarHBondContact O-N 3.09Å; L1519-S1523 PolarHBondContact O-OG 3.39Å; L1520-S1523 WeakPolarHBondContact O-CB 3.25Å; L1520-S1523 PolarHBondContact O-N 3.05Å; S1523-L1525 PolarHBondContact O-N 3.01Å; S1523-L1525 VanDerWaalsContact O-N 3.14Å; S1523-I1526 WeakPolarHBondContact O-CB 3.12Å; S1523-I1526 WeakPolarHBondContact O-CG1 3.42Å; S1523-I1526 PolarHBondContact O-N 3Å; S1523-L1529 WeakPolarHBondContact O-CD1 3.45Å |
| 1524 | L | 85.6 | Confident | 84.3 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.9 | -178.9 | -67.1 | 159.3 | 0 | 0 | 0 | 114.6 | L1498 L1520 R1522 W1537 F1545 M1575 V1579 | L1498-L1524 HydrophobicContact CD2-CD2 4.32Å; L1498-L1524 HydrophobicContact CD2-CG 4.42Å; L1520-L1524 HydrophobicContact CD1-CD1 4.28Å; L1520-L1524 HydrophobicContact CG-CD1 4.24Å; L1520-L1524 WeakPolarHBondContact O-CD1 3.46Å; L1520-L1524 WeakPolarHBondContact O-CG 3.34Å; L1520-L1524 PolarHBondContact O-N 2.79Å; R1522-L1524 VanDerWaalsContact C-N 3.3Å; R1522-L1524 PolarHBondContact O-N 3.32Å; L1524-W1537 HydrophobicContact CD2-CZ3 4.19Å; L1524-F1545 HydrophobicContact CD1-CE1 3.72Å; L1524-F1545 HydrophobicContact CD1-CZ 3.49Å; L1524-F1545 VanDerWaalsContact CD1-CZ 3.49Å; L1524-F1545 HydrophobicContact CD2-CE2 4.25Å; L1524-F1545 HydrophobicContact CD2-CZ 3.7Å; L1524-F1545 HydrophobicContact CG-CZ 4.23Å; L1524-M1575 HydrophobicContact CD1-CE 4.32Å; L1524-M1575 HydrophobicContact CD1-CG 3.98Å; L1524-M1575 HydrophobicContact CD1-SD 3.66Å; L1524-V1579 HydrophobicContact CB-CG2 4.27Å; L1524-V1579 HydrophobicContact CD1-CG2 4.28Å |
| 1525 | L | 82.3 | Confident | 84 | Confident | 87 Ų | 87 | 50 Ų | 50 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -3 | 179.6 | -66.8 | 170.7 | 0 | 0 | 0 | 113.6 | Q1521 R1522 S1523 | Q1521-L1525 WeakPolarHBondContact O-CG 3.38Å; R1522-L1525 PolarHBondContact O-N 2.85Å; S1523-L1525 PolarHBondContact O-N 3.01Å; S1523-L1525 VanDerWaalsContact O-N 3.14Å |
| 1526 | I | 81.6 | Confident | 83.6 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | trans | -63.7 | 131.8 | -178.3 | -72.3 | 173.8 | 0 | 0 | 0 | 110.5 | Y1466 F1469 V1470 S1523 E1528 L1529 | Y1466-I1526 HydrophobicContact CE2-CD1 4.43Å; F1469-I1526 HydrophobicContact CD1-CD1 3.77Å; F1469-I1526 HydrophobicContact CE1-CD1 3.89Å; V1470-I1526 HydrophobicContact CG2-CD1 3.62Å; S1523-I1526 WeakPolarHBondContact O-CB 3.12Å; S1523-I1526 WeakPolarHBondContact O-CG1 3.42Å; S1523-I1526 PolarHBondContact O-N 3Å; I1526-E1528 HydrophobicContact CG2-CB 4.15Å; I1526-E1528 WeakPolarHBondContact CG2-OE2 3.21Å; I1526-E1528 PolarHBondContact O-N 2.75Å; I1526-E1528 VanDerWaalsContact O-N 3.13Å; I1526-L1529 PolarHBondContact O-N 3.1Å | ||
| 1527 | P | 76.2 | Confident | 83.4 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -53.8 | -34.6 | -174.4 | -27.9 | 34.7 | 0 | 0 | 0 | 115 | L1529 R1530 | P1527-L1529 VanDerWaalsContact C-N 3.3Å; P1527-L1529 PolarHBondContact O-N 3.1Å; P1527-R1530 VanDerWaalsContact O-CB 3.25Å; P1527-R1530 WeakPolarHBondContact O-CB 3.47Å; P1527-R1530 VanDerWaalsContact O-CG 3.29Å; P1527-R1530 WeakPolarHBondContact O-CG 3.18Å; P1527-R1530 PolarHBondContact O-N 3.39Å; P1527-R1530 VanDerWaalsContact O-N 3.09Å |
| 1528 | E | 74.4 | Confident | 83.4 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 29% | 0.29 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -64 | -33.9 | -174.6 | -70.4 | 55.8 | -129.8 | 0 | 0 | 112 | A1473 W1494 I1526 R1530 R1531 | A1473-E1528 HydrophobicContact CB-CB 4.34Å; A1473-E1528 HydrophobicContact CB-CG 3.68Å; W1494-E1528 HydrophobicContact CH2-CB 4.38Å; W1494-E1528 HydrophobicContact CZ2-CB 4.19Å; I1526-E1528 HydrophobicContact CG2-CB 4.15Å; I1526-E1528 WeakPolarHBondContact CG2-OE2 3.21Å; I1526-E1528 PolarHBondContact O-N 2.75Å; I1526-E1528 VanDerWaalsContact O-N 3.13Å; E1528-R1530 PolarHBondContact O-N 3.39Å; E1528-R1531 WeakPolarHBondContact O-CB 3.47Å; E1528-R1531 WeakPolarHBondContact O-CG 3.21Å; E1528-R1531 PolarHBondContact O-N 3.27Å |
| 1529 | L | 77.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -66.7 | -18 | 176.5 | -62.5 | 178.9 | 0 | 0 | 0 | 113.2 | F1469 W1494 S1523 I1526 P1527 R1531 L1532 W1537 | F1469-L1529 HydrophobicContact CE1-CD1 4.11Å; F1469-L1529 HydrophobicContact CE1-CD2 4.47Å; F1469-L1529 HydrophobicContact CZ-CD1 3.92Å; F1469-L1529 HydrophobicContact CZ-CD2 3.9Å; F1469-L1529 HydrophobicContact CZ-CG 4.32Å; W1494-L1529 HydrophobicContact CD2-CD2 3.72Å; W1494-L1529 HydrophobicContact CE3-CD2 3.79Å; W1494-L1529 HydrophobicContact CG-CD2 4.17Å; W1494-L1529 HydrophobicContact CH2-CD2 4.32Å; W1494-L1529 HydrophobicContact CZ2-CD2 4.26Å; W1494-L1529 HydrophobicContact CZ3-CD2 4.09Å; S1523-L1529 WeakPolarHBondContact O-CD1 3.45Å; I1526-L1529 PolarHBondContact O-N 3.1Å; P1527-L1529 VanDerWaalsContact C-N 3.3Å; P1527-L1529 PolarHBondContact O-N 3.1Å; L1529-R1531 PolarHBondContact O-N 3.48Å; L1529-R1531 VanDerWaalsContact O-N 3.11Å; L1529-L1532 HydrophobicContact CB-CD1 4.3Å; L1529-L1532 HydrophobicContact CD2-CD1 3.93Å; L1529-L1532 WeakPolarHBondContact O-CB 3.32Å; L1529-L1532 WeakPolarHBondContact O-CG 3.41Å; L1529-L1532 PolarHBondContact O-N 3.4Å; L1529-L1532 VanDerWaalsContact O-N 3.12Å; L1529-W1537 HydrophobicContact CB-CH2 4.1Å; L1529-W1537 HydrophobicContact CB-CZ2 3.85Å; L1529-W1537 HydrophobicContact CD1-CH2 4.26Å; L1529-W1537 WeakPolarHBondContact O-CZ2 3.42Å |
| 1530 | R | 73.4 | Confident | 82.9 | Confident | 163 Ų | 163 | 50.4 Ų | 50.4 | 62% | 0.615 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -66.8 | -8.9 | 175 | -55.2 | 178.1 | -169 | -179.4 | 4.6 | 112.8 | P1527 E1528 | P1527-R1530 VanDerWaalsContact O-CB 3.25Å; P1527-R1530 WeakPolarHBondContact O-CB 3.47Å; P1527-R1530 VanDerWaalsContact O-CG 3.29Å; P1527-R1530 WeakPolarHBondContact O-CG 3.18Å; P1527-R1530 PolarHBondContact O-N 3.39Å; P1527-R1530 VanDerWaalsContact O-N 3.09Å; E1528-R1530 PolarHBondContact O-N 3.39Å |
| 1531 | R | 72.2 | Confident | 82.9 | Confident | 197 Ų | 197 | 50.4 Ų | 50.4 | 74% | 0.743 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -87.2 | -7.7 | 174.7 | -56.3 | -179.1 | -176.1 | -178.4 | 3.6 | 113.6 | E1528 L1529 | E1528-R1531 WeakPolarHBondContact O-CB 3.47Å; E1528-R1531 WeakPolarHBondContact O-CG 3.21Å; E1528-R1531 PolarHBondContact O-N 3.27Å; L1529-R1531 PolarHBondContact O-N 3.48Å; L1529-R1531 VanDerWaalsContact O-N 3.11Å |
| 1532 | L | 77.3 | Confident | 82.9 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -68.2 | 146.6 | 177.4 | -70.9 | 175.6 | 0 | 0 | 0 | 111.7 | W1490 W1494 L1529 D1536 W1537 | W1490-L1532 HydrophobicContact CB-CD2 4.17Å; W1490-L1532 HydrophobicContact CD2-CD2 4.35Å; W1490-L1532 HydrophobicContact CE3-CD1 3.62Å; W1490-L1532 HydrophobicContact CE3-CD2 3.94Å; W1490-L1532 HydrophobicContact CE3-CG 4.46Å; W1490-L1532 HydrophobicContact CG-CD2 4.45Å; W1490-L1532 HydrophobicContact CZ3-CD1 3.74Å; W1494-L1532 HydrophobicContact CE3-CD2 4.03Å; W1494-L1532 HydrophobicContact CZ3-CD2 3.88Å; W1494-L1532 HydrophobicContact CZ3-CG 4.32Å; L1529-L1532 HydrophobicContact CB-CD1 4.3Å; L1529-L1532 HydrophobicContact CD2-CD1 3.93Å; L1529-L1532 WeakPolarHBondContact O-CB 3.32Å; L1529-L1532 WeakPolarHBondContact O-CG 3.41Å; L1529-L1532 PolarHBondContact O-N 3.4Å; L1529-L1532 VanDerWaalsContact O-N 3.12Å; L1532-D1536 HydrophobicContact CB-CB 4.15Å; L1532-D1536 HydrophobicContact CD2-CB 4Å; L1532-W1537 HydrophobicContact CD1-CZ2 4.17Å |
| 1533 | S | 82.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 44.9 Ų | 44.9 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | trans | -73.4 | 163.9 | 174.6 | 80.3 | 0 | 0 | 0 | 0 | 111.5 | A1535 D1536 W1537 | S1533-A1535 PolarHBondContact O-N 2.71Å; S1533-A1535 PolarHBondContact OG-N 3.31Å; S1533-D1536 VanDerWaalsContact CB-OD2 3.32Å; S1533-D1536 WeakPolarHBondContact CB-OD2 3.49Å; S1533-D1536 PolarHBondContact N-OD2 2.74Å; S1533-D1536 PolarHBondContact O-N 3.34Å; S1533-D1536 VanDerWaalsContact OG-CG 3.3Å; S1533-D1536 PolarHBondContact OG-N 3.48Å; S1533-D1536 PolarHBondContact OG-OD2 2.93Å; S1533-W1537 PolarHBondContact O-N 3.19Å; S1533-W1537 VanDerWaalsContact O-N 3.09Å | ||
| 1534 | G | 82.5 | Confident | 82.8 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.5 | -41.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1536 W1537 E1538 L1586 | G1534-D1536 VanDerWaalsContact C-N 3.26Å; G1534-D1536 PolarHBondContact O-N 3.11Å; G1534-W1537 PolarHBondContact O-N 2.87Å; G1534-E1538 PolarHBondContact O-N 3.04Å; G1534-L1586 WeakPolarHBondContact CA-O 3.46Å |
| 1535 | A | 83.9 | Confident | 83 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.1 | -22.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1533 K1539 L1590 | S1533-A1535 PolarHBondContact O-N 2.71Å; S1533-A1535 PolarHBondContact OG-N 3.31Å; A1535-K1539 WeakPolarHBondContact O-CD 3.43Å; A1535-K1539 VanDerWaalsContact O-CE 3.3Å; A1535-K1539 WeakPolarHBondContact O-CE 3.35Å; A1535-K1539 VanDerWaalsContact O-CG 3.24Å; A1535-K1539 WeakPolarHBondContact O-CG 3.29Å; A1535-K1539 PolarHBondContact O-N 2.97Å; A1535-L1590 HydrophobicContact CB-CD2 4.17Å |
| 1536 | D | 83.3 | Confident | 83.3 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -83.7 | -34 | 173.9 | -55.8 | -54.9 | 0 | 0 | 0 | 111.6 | W1490 L1532 S1533 G1534 K1539 C1540 | W1490-D1536 HydrophobicContact CD2-CB 4.45Å; W1490-D1536 HydrophobicContact CG-CB 4.26Å; L1532-D1536 HydrophobicContact CB-CB 4.15Å; L1532-D1536 HydrophobicContact CD2-CB 4Å; S1533-D1536 VanDerWaalsContact CB-OD2 3.32Å; S1533-D1536 WeakPolarHBondContact CB-OD2 3.49Å; S1533-D1536 PolarHBondContact N-OD2 2.74Å; S1533-D1536 PolarHBondContact O-N 3.34Å; S1533-D1536 VanDerWaalsContact OG-CG 3.3Å; S1533-D1536 PolarHBondContact OG-N 3.48Å; S1533-D1536 PolarHBondContact OG-OD2 2.93Å; G1534-D1536 VanDerWaalsContact C-N 3.26Å; G1534-D1536 PolarHBondContact O-N 3.11Å; D1536-K1539 WeakPolarHBondContact O-CB 3.44Å; D1536-K1539 PolarHBondContact O-N 3.18Å; D1536-K1539 IonicContact OD1-NZ 2.67Å; D1536-K1539 PolarHBondContact OD1-NZ 2.64Å; D1536-C1540 PolarHBondContact O-N 2.6Å |
| 1537 | W | 87.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 167.5 | -78.4 | 108.8 | 0 | 0 | 0 | 112.1 | L1524 L1529 L1532 S1533 G1534 C1540 F1541 V1579 H1583 L1587 | L1524-W1537 HydrophobicContact CD2-CZ3 4.19Å; L1529-W1537 HydrophobicContact CB-CH2 4.1Å; L1529-W1537 HydrophobicContact CB-CZ2 3.85Å; L1529-W1537 HydrophobicContact CD1-CH2 4.26Å; L1529-W1537 WeakPolarHBondContact O-CZ2 3.42Å; L1532-W1537 HydrophobicContact CD1-CZ2 4.17Å; S1533-W1537 PolarHBondContact O-N 3.19Å; S1533-W1537 VanDerWaalsContact O-N 3.09Å; G1534-W1537 PolarHBondContact O-N 2.87Å; W1537-C1540 HydrophobicContact CE3-CB 4.28Å; W1537-C1540 WeakPolarHBondContact O-CA 3.44Å; W1537-C1540 WeakPolarHBondContact O-CB 3.41Å; W1537-C1540 PolarHBondContact O-N 2.98Å; W1537-F1541 WeakPolarHBondContact O-CD2 3.19Å; W1537-F1541 PolarHBondContact O-N 2.84Å; W1537-V1579 HydrophobicContact CE3-CG1 3.87Å; W1537-V1579 HydrophobicContact CZ3-CG1 3.62Å; W1537-H1583 HydrophobicContact CD2-CB 4.43Å; W1537-H1583 AromaticContact CD2-CD2 3.75Å; W1537-H1583 AromaticContact CD2-CG 3.91Å; W1537-H1583 AromaticContact CE2-CD2 3.64Å; W1537-H1583 AromaticContact CE2-CE1 3.71Å; W1537-H1583 AromaticContact CE2-CG 3.77Å; W1537-H1583 AromaticContact CE2-ND1 3.69Å; W1537-H1583 AromaticContact CE2-NE2 3.48Å; W1537-H1583 AromaticContact CE3-CD2 3.92Å; W1537-H1583 HydrophobicContact CG-CB 4.27Å; W1537-H1583 AromaticContact CH2-CD2 3.92Å; W1537-H1583 AromaticContact CH2-NE2 2.79Å; W1537-H1583 WeakPolarHBondContact CH2-NE2 3.48Å; W1537-H1583 AromaticContact CZ2-CD2 3.75Å; W1537-H1583 AromaticContact CZ2-CE1 3.41Å; W1537-H1583 VanDerWaalsContact CZ2-CE1 3.41Å; W1537-H1583 WeakPolarHBondContact CZ2-CE1 3.39Å; W1537-H1583 AromaticContact CZ2-NE2 2.78Å; W1537-H1583 WeakPolarHBondContact CZ2-NE2 3.37Å; W1537-H1583 AromaticContact CZ3-NE2 3.51Å; W1537-H1583 AromaticContact NE1-CE1 3.76Å; W1537-H1583 AromaticContact NE1-CG 3.85Å; W1537-H1583 AromaticContact NE1-ND1 3.49Å; W1537-H1583 PolarHBondContact NE1-ND1 3.26Å; W1537-L1587 HydrophobicContact CB-CD2 3.85Å |
| 1538 | E | 88.5 | Confident | 84.1 | Confident | 34 Ų | 34 | 37 Ų | 37 | 16% | 0.159 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 170.6 | 177.5 | 175.8 | -137.2 | 0 | 0 | 111.9 | G1534 C1540 F1541 Y1542 L1587 L1590 S1592 | G1534-E1538 PolarHBondContact O-N 3.04Å; E1538-C1540 PolarHBondContact O-N 3.33Å; E1538-F1541 PolarHBondContact O-N 3.06Å; E1538-Y1542 HydrophobicContact CG-CD2 3.85Å; E1538-Y1542 HydrophobicContact CG-CE2 3.79Å; E1538-Y1542 WeakPolarHBondContact O-CD2 3.38Å; E1538-Y1542 PolarHBondContact O-N 2.98Å; E1538-Y1542 VanDerWaalsContact O-N 3.15Å; E1538-L1587 HydrophobicContact CB-CD2 4.41Å; E1538-L1590 HydrophobicContact CB-CD1 3.86Å; E1538-L1590 HydrophobicContact CG-CD1 4.5Å; E1538-S1592 VanDerWaalsContact CD-OG 3.25Å; E1538-S1592 WeakPolarHBondContact OE1-CB 3.35Å; E1538-S1592 PolarHBondContact OE1-OG 3.42Å; E1538-S1592 PolarHBondContact OE2-OG 3.43Å |
| 1539 | K | 85.8 | Confident | 84.7 | Confident | 86 Ų | 86 | 34.1 Ų | 34.1 | 37% | 0.374 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.3 | -34.3 | 172 | -68.7 | 163.1 | -151.1 | 164.1 | 0 | 111.8 | A1535 D1536 F1541 N1543 | A1535-K1539 WeakPolarHBondContact O-CD 3.43Å; A1535-K1539 VanDerWaalsContact O-CE 3.3Å; A1535-K1539 WeakPolarHBondContact O-CE 3.35Å; A1535-K1539 VanDerWaalsContact O-CG 3.24Å; A1535-K1539 WeakPolarHBondContact O-CG 3.29Å; A1535-K1539 PolarHBondContact O-N 2.97Å; D1536-K1539 WeakPolarHBondContact O-CB 3.44Å; D1536-K1539 PolarHBondContact O-N 3.18Å; D1536-K1539 IonicContact OD1-NZ 2.67Å; D1536-K1539 PolarHBondContact OD1-NZ 2.64Å; K1539-F1541 VanDerWaalsContact C-N 3.31Å; K1539-F1541 PolarHBondContact O-N 3.07Å; K1539-N1543 WeakPolarHBondContact O-CA 3.17Å; K1539-N1543 WeakPolarHBondContact O-CB 3.4Å; K1539-N1543 VanDerWaalsContact O-CG 3.22Å; K1539-N1543 PolarHBondContact O-N 2.92Å |
| 1540 | C | 88.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 175 | -166.6 | 0 | 0 | 0 | 0 | 112.6 | W1490 D1536 W1537 E1538 V1544 F1545 | W1490-C1540 HydrophobicContact CH2-CB 3.61Å; W1490-C1540 HydrophobicContact CZ2-CB 3.75Å; D1536-C1540 PolarHBondContact O-N 2.6Å; W1537-C1540 HydrophobicContact CE3-CB 4.28Å; W1537-C1540 WeakPolarHBondContact O-CA 3.44Å; W1537-C1540 WeakPolarHBondContact O-CB 3.41Å; W1537-C1540 PolarHBondContact O-N 2.98Å; E1538-C1540 PolarHBondContact O-N 3.33Å; C1540-V1544 WeakPolarHBondContact O-CA 3.07Å; C1540-V1544 VanDerWaalsContact O-CB 3.28Å; C1540-V1544 WeakPolarHBondContact O-CB 3.37Å; C1540-V1544 PolarHBondContact O-N 3.45Å; C1540-F1545 HydrophobicContact CB-CE2 4.46Å; C1540-F1545 WeakPolarHBondContact O-CD2 3.2Å; C1540-F1545 PolarHBondContact O-N 3.04Å; C1540-F1545 VanDerWaalsContact O-N 3.11Å; C1540-F1545 VanDerWaalsContact SG-CE2 3.51Å |
| 1541 | F | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -67.7 | -56.4 | 172.4 | -71.7 | -80.3 | 0 | 0 | 0 | 111.7 | W1537 E1538 K1539 N1543 F1545 F1546 T1576 V1579 F1580 L1587 L1596 I1600 | W1537-F1541 WeakPolarHBondContact O-CD2 3.19Å; W1537-F1541 PolarHBondContact O-N 2.84Å; E1538-F1541 PolarHBondContact O-N 3.06Å; K1539-F1541 VanDerWaalsContact C-N 3.31Å; K1539-F1541 PolarHBondContact O-N 3.07Å; F1541-N1543 VanDerWaalsContact C-N 3.32Å; F1541-N1543 PolarHBondContact O-N 2.91Å; F1541-F1545 HydrophobicContact CD1-CB 4.1Å; F1541-F1545 AromaticContact CD1-CD2 3.7Å; F1541-F1545 HydrophobicContact CD1-CD2 3.7Å; F1541-F1545 HydrophobicContact CD1-CG 4.19Å; F1541-F1545 AromaticContact CE1-CD2 3.87Å; F1541-F1545 HydrophobicContact CE1-CD2 3.87Å; F1541-F1545 HydrophobicContact CE1-CE2 4.3Å; F1541-F1545 HydrophobicContact CE1-CG 4.42Å; F1541-F1545 HydrophobicContact CG-CD2 4.14Å; F1541-F1545 HydrophobicContact CZ-CD2 4.43Å; F1541-F1545 HydrophobicContact CZ-CE2 4.49Å; F1541-F1545 PolarHBondContact O-N 3.47Å; F1541-F1546 HydrophobicContact CB-CD2 4.4Å; F1541-F1546 HydrophobicContact CB-CE1 4.37Å; F1541-F1546 HydrophobicContact CB-CE2 4.03Å; F1541-F1546 HydrophobicContact CB-CZ 4.02Å; F1541-F1546 HydrophobicContact CD1-CE1 4.25Å; F1541-F1546 HydrophobicContact CD1-CZ 4.45Å; F1541-F1546 WeakPolarHBondContact O-CB 3.43Å; F1541-F1546 WeakPolarHBondContact O-CG 3.24Å; F1541-F1546 PolarHBondContact O-N 3.41Å; F1541-T1576 HydrophobicContact CD1-CG2 3.99Å; F1541-T1576 HydrophobicContact CE1-CG2 3.74Å; F1541-V1579 HydrophobicContact CZ-CB 4.47Å; F1541-V1579 HydrophobicContact CZ-CG1 4.1Å; F1541-F1580 HydrophobicContact CE1-CB 4.22Å; F1541-F1580 HydrophobicContact CZ-CB 3.82Å; F1541-L1587 HydrophobicContact CE2-CD1 3.93Å; F1541-L1596 HydrophobicContact CB-CD1 3.57Å; F1541-L1596 HydrophobicContact CD2-CD1 4.09Å; F1541-L1596 HydrophobicContact CD2-CD2 4.16Å; F1541-L1596 HydrophobicContact CG-CD1 3.83Å; F1541-I1600 HydrophobicContact CD1-CD1 4.45Å; F1541-I1600 HydrophobicContact CE1-CD1 4.28Å |
| 1542 | Y | 89.8 | Confident | 85.7 | Confident | 71 Ų | 71 | 20.6 Ų | 20.6 | 28% | 0.278 | 11% | 0.114 | S | C | . | . | I | π-helix | trans | -66.8 | -29.4 | -176.8 | -71.2 | -71.9 | 0 | 0 | 0 | 114.2 | E1538 F1546 P1547 L1596 D1599 | E1538-Y1542 HydrophobicContact CG-CD2 3.85Å; E1538-Y1542 HydrophobicContact CG-CE2 3.79Å; E1538-Y1542 WeakPolarHBondContact O-CD2 3.38Å; E1538-Y1542 PolarHBondContact O-N 2.98Å; E1538-Y1542 VanDerWaalsContact O-N 3.15Å; Y1542-F1546 AromaticContact CD1-CD2 3.6Å; Y1542-F1546 HydrophobicContact CD1-CD2 3.6Å; Y1542-F1546 AromaticContact CD1-CE2 3.84Å; Y1542-F1546 HydrophobicContact CD1-CE2 3.84Å; Y1542-F1546 AromaticContact CE1-CD2 3.78Å; Y1542-F1546 HydrophobicContact CE1-CD2 3.78Å; Y1542-F1546 AromaticContact CE1-CE2 3.59Å; Y1542-F1546 HydrophobicContact CE1-CE2 3.59Å; Y1542-F1546 HydrophobicContact CE2-CE2 4.48Å; Y1542-F1546 HydrophobicContact CG-CD2 4.19Å; Y1542-F1546 HydrophobicContact CG-CE2 4.36Å; Y1542-F1546 AromaticContact CZ-CE2 3.94Å; Y1542-P1547 WeakPolarHBondContact O-CD 3.38Å; Y1542-P1547 WeakPolarHBondContact O-CG 3.36Å; Y1542-L1596 HydrophobicContact CE2-CD1 3.94Å; Y1542-D1599 VanDerWaalsContact CE1-OD2 3.27Å; Y1542-D1599 WeakPolarHBondContact CE1-OD2 3.27Å; Y1542-D1599 PolarHBondContact OH-OD2 3.39Å |
| 1543 | N | 86.3 | Confident | 85.9 | Confident | 20 Ų | 20 | 21.5 Ų | 21.5 | 11% | 0.107 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -105.6 | -12.4 | -173 | -53.1 | -14.6 | 0 | 0 | 0 | 114.1 | A1337 Q1495 Q1499 K1539 F1541 | A1337-N1543 WeakPolarHBondContact O-CA 3.43Å; Q1495-N1543 HydrophobicContact CG-CB 4.1Å; Q1495-N1543 PolarHBondContact NE2-ND2 2.89Å; Q1495-N1543 PolarHBondContact OE1-ND2 2.87Å; Q1499-N1543 WeakPolarHBondContact CG-O 3.5Å; Q1499-N1543 PolarHBondContact NE2-O 3.31Å; K1539-N1543 WeakPolarHBondContact O-CA 3.17Å; K1539-N1543 WeakPolarHBondContact O-CB 3.4Å; K1539-N1543 VanDerWaalsContact O-CG 3.22Å; K1539-N1543 PolarHBondContact O-N 2.92Å; F1541-N1543 VanDerWaalsContact C-N 3.32Å; F1541-N1543 PolarHBondContact O-N 2.91Å |
| 1544 | V | 88.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -127.8 | -60.7 | 178.3 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | Q1495 L1498 Q1499 A1502 C1540 L1548 | Q1495-V1544 HydrophobicContact CG-CG2 4.5Å; L1498-V1544 HydrophobicContact CB-CG1 4.03Å; L1498-V1544 HydrophobicContact CB-CG2 3.94Å; Q1499-V1544 HydrophobicContact CG-CG2 4.19Å; A1502-V1544 HydrophobicContact CB-CG1 4.13Å; C1540-V1544 WeakPolarHBondContact O-CA 3.07Å; C1540-V1544 VanDerWaalsContact O-CB 3.28Å; C1540-V1544 WeakPolarHBondContact O-CB 3.37Å; C1540-V1544 PolarHBondContact O-N 3.45Å; V1544-L1548 WeakPolarHBondContact O-CB 2.95Å; V1544-L1548 PolarHBondContact O-N 3.14Å |
| 1545 | F | 89.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -70.7 | -48.9 | -171.7 | -66.2 | -71 | 0 | 0 | 0 | 113.5 | L1524 C1540 F1541 L1548 L1549 M1575 T1576 V1579 | L1524-F1545 HydrophobicContact CD1-CE1 3.72Å; L1524-F1545 HydrophobicContact CD1-CZ 3.49Å; L1524-F1545 VanDerWaalsContact CD1-CZ 3.49Å; L1524-F1545 HydrophobicContact CD2-CE2 4.25Å; L1524-F1545 HydrophobicContact CD2-CZ 3.7Å; L1524-F1545 HydrophobicContact CG-CZ 4.23Å; C1540-F1545 HydrophobicContact CB-CE2 4.46Å; C1540-F1545 WeakPolarHBondContact O-CD2 3.2Å; C1540-F1545 PolarHBondContact O-N 3.04Å; C1540-F1545 VanDerWaalsContact O-N 3.11Å; C1540-F1545 VanDerWaalsContact SG-CE2 3.51Å; F1541-F1545 HydrophobicContact CD1-CB 4.1Å; F1541-F1545 AromaticContact CD1-CD2 3.7Å; F1541-F1545 HydrophobicContact CD1-CD2 3.7Å; F1541-F1545 HydrophobicContact CD1-CG 4.19Å; F1541-F1545 AromaticContact CE1-CD2 3.87Å; F1541-F1545 HydrophobicContact CE1-CD2 3.87Å; F1541-F1545 HydrophobicContact CE1-CE2 4.3Å; F1541-F1545 HydrophobicContact CE1-CG 4.42Å; F1541-F1545 HydrophobicContact CG-CD2 4.14Å; F1541-F1545 HydrophobicContact CZ-CD2 4.43Å; F1541-F1545 HydrophobicContact CZ-CE2 4.49Å; F1541-F1545 PolarHBondContact O-N 3.47Å; F1545-L1548 WeakPolarHBondContact O-CB 3.23Å; F1545-L1548 PolarHBondContact O-N 3.44Å; F1545-L1549 WeakPolarHBondContact O-CB 3.38Å; F1545-L1549 WeakPolarHBondContact O-CG 3.42Å; F1545-L1549 PolarHBondContact O-N 3.14Å; F1545-M1575 HydrophobicContact CD1-CE 4.4Å; F1545-M1575 HydrophobicContact CE1-CE 3.93Å; F1545-M1575 HydrophobicContact CE1-CG 4.1Å; F1545-T1576 HydrophobicContact CB-CG2 4.03Å; F1545-T1576 HydrophobicContact CD1-CG2 4.44Å; F1545-T1576 WeakPolarHBondContact CD1-OG1 3.09Å; F1545-T1576 HydrophobicContact CG-CG2 4.25Å; F1545-V1579 HydrophobicContact CE2-CB 4.32Å; F1545-V1579 HydrophobicContact CE2-CG1 3.92Å; F1545-V1579 HydrophobicContact CZ-CB 4.04Å; F1545-V1579 HydrophobicContact CZ-CG1 4.01Å; F1545-V1579 HydrophobicContact CZ-CG2 3.94Å |
| 1546 | F | 90.6 | Very high | 83.4 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 179.6 | -61.5 | -21.6 | 0 | 0 | 0 | 112.4 | F1541 Y1542 L1548 L1549 N1550 L1596 D1599 I1600 F1603 | F1541-F1546 HydrophobicContact CB-CD2 4.4Å; F1541-F1546 HydrophobicContact CB-CE1 4.37Å; F1541-F1546 HydrophobicContact CB-CE2 4.03Å; F1541-F1546 HydrophobicContact CB-CZ 4.02Å; F1541-F1546 HydrophobicContact CD1-CE1 4.25Å; F1541-F1546 HydrophobicContact CD1-CZ 4.45Å; F1541-F1546 WeakPolarHBondContact O-CB 3.43Å; F1541-F1546 WeakPolarHBondContact O-CG 3.24Å; F1541-F1546 PolarHBondContact O-N 3.41Å; Y1542-F1546 AromaticContact CD1-CD2 3.6Å; Y1542-F1546 HydrophobicContact CD1-CD2 3.6Å; Y1542-F1546 AromaticContact CD1-CE2 3.84Å; Y1542-F1546 HydrophobicContact CD1-CE2 3.84Å; Y1542-F1546 AromaticContact CE1-CD2 3.78Å; Y1542-F1546 HydrophobicContact CE1-CD2 3.78Å; Y1542-F1546 AromaticContact CE1-CE2 3.59Å; Y1542-F1546 HydrophobicContact CE1-CE2 3.59Å; Y1542-F1546 HydrophobicContact CE2-CE2 4.48Å; Y1542-F1546 HydrophobicContact CG-CD2 4.19Å; Y1542-F1546 HydrophobicContact CG-CE2 4.36Å; Y1542-F1546 AromaticContact CZ-CE2 3.94Å; F1546-L1548 PolarHBondContact O-N 3.18Å; F1546-L1549 PolarHBondContact O-N 3.3Å; F1546-N1550 VanDerWaalsContact O-CB 3.26Å; F1546-N1550 WeakPolarHBondContact O-CB 3.32Å; F1546-N1550 PolarHBondContact O-N 2.89Å; F1546-L1596 HydrophobicContact CE2-CD1 3.86Å; F1546-L1596 HydrophobicContact CZ-CD1 3.74Å; F1546-D1599 HydrophobicContact CE2-CB 3.66Å; F1546-D1599 HydrophobicContact CZ-CB 3.67Å; F1546-I1600 HydrophobicContact CE1-CG1 3.83Å; F1546-I1600 HydrophobicContact CZ-CG1 3.84Å; F1546-F1603 HydrophobicContact CB-CD2 4.45Å; F1546-F1603 HydrophobicContact CB-CE2 3.54Å; F1546-F1603 HydrophobicContact CB-CZ 3.78Å; F1546-F1603 AromaticContact CD1-CD2 3.49Å; F1546-F1603 HydrophobicContact CD1-CD2 3.49Å; F1546-F1603 VanDerWaalsContact CD1-CD2 3.49Å; F1546-F1603 AromaticContact CD1-CE2 3.44Å; F1546-F1603 HydrophobicContact CD1-CE2 3.44Å; F1546-F1603 VanDerWaalsContact CD1-CE2 3.44Å; F1546-F1603 HydrophobicContact CD1-CG 4.45Å; F1546-F1603 HydrophobicContact CD1-CZ 4.36Å; F1546-F1603 HydrophobicContact CD2-CE2 4.15Å; F1546-F1603 AromaticContact CE1-CD2 3.84Å; F1546-F1603 HydrophobicContact CE1-CD2 3.84Å; F1546-F1603 HydrophobicContact CE1-CE2 4.14Å; F1546-F1603 HydrophobicContact CG-CD2 4.01Å; F1546-F1603 AromaticContact CG-CE2 3.45Å; F1546-F1603 HydrophobicContact CG-CE2 3.45Å; F1546-F1603 VanDerWaalsContact CG-CE2 3.45Å; F1546-F1603 HydrophobicContact CG-CZ 4.22Å |
| 1547 | P | 86.8 | Confident | 82 | Confident | 10 Ų | 10 | 30.5 Ų | 30.5 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -37.2 | 169.4 | -29.3 | 39.6 | 0 | 0 | 0 | 114 | L1340 Y1542 A1551 | L1340-P1547 HydrophobicContact CD1-CB 4.22Å; L1340-P1547 HydrophobicContact CD2-CB 4Å; L1340-P1547 HydrophobicContact CG-CB 3.62Å; Y1542-P1547 WeakPolarHBondContact O-CD 3.38Å; Y1542-P1547 WeakPolarHBondContact O-CG 3.36Å; P1547-A1551 PolarHBondContact O-N 2.74Å; P1547-A1551 VanDerWaalsContact O-N 3.15Å |
| 1548 | L | 86.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -48 | 173.5 | 172.3 | 60.6 | 0 | 0 | 0 | 111.4 | L1340 A1502 C1505 F1506 L1520 V1544 F1545 F1546 L1552 A1572 M1575 | L1340-L1548 HydrophobicContact CD1-CB 4.04Å; A1502-L1548 HydrophobicContact CB-CB 4.35Å; A1502-L1548 HydrophobicContact CB-CD1 4.35Å; A1502-L1548 HydrophobicContact CB-CD2 4.39Å; C1505-L1548 HydrophobicContact CB-CD1 3.74Å; F1506-L1548 HydrophobicContact CE2-CD1 3.87Å; F1506-L1548 HydrophobicContact CZ-CD1 3.67Å; F1506-L1548 WeakPolarHBondContact CZ-O 3.46Å; L1520-L1548 HydrophobicContact CD2-CD2 3.81Å; V1544-L1548 WeakPolarHBondContact O-CB 2.95Å; V1544-L1548 PolarHBondContact O-N 3.14Å; F1545-L1548 WeakPolarHBondContact O-CB 3.23Å; F1545-L1548 PolarHBondContact O-N 3.44Å; F1546-L1548 PolarHBondContact O-N 3.18Å; L1548-L1552 HydrophobicContact CD1-CD1 3.97Å; L1548-L1552 HydrophobicContact CD1-CG 4.31Å; L1548-L1552 HydrophobicContact CG-CD1 4.33Å; L1548-L1552 WeakPolarHBondContact O-CB 3.25Å; L1548-L1552 WeakPolarHBondContact O-CG 3.11Å; L1548-L1552 PolarHBondContact O-N 2.95Å; L1548-L1552 VanDerWaalsContact O-N 3.13Å; L1548-A1572 HydrophobicContact CD2-CB 4.16Å; L1548-A1572 HydrophobicContact CG-CB 4.4Å; L1548-M1575 HydrophobicContact CD2-CE 4.11Å |
| 1549 | L | 86.5 | Confident | 78.6 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 179.9 | -70 | 174.6 | 0 | 0 | 0 | 112.1 | F1545 F1546 L1552 L1553 A1572 L1573 T1576 F1603 Y1607 | F1545-L1549 WeakPolarHBondContact O-CB 3.38Å; F1545-L1549 WeakPolarHBondContact O-CG 3.42Å; F1545-L1549 PolarHBondContact O-N 3.14Å; F1546-L1549 PolarHBondContact O-N 3.3Å; L1549-L1552 PolarHBondContact O-N 2.86Å; L1549-L1553 WeakPolarHBondContact O-CG 3.46Å; L1549-L1553 PolarHBondContact O-N 2.9Å; L1549-A1572 HydrophobicContact CD2-CB 4.25Å; L1549-L1573 HydrophobicContact CD1-CD1 4.3Å; L1549-L1573 HydrophobicContact CD2-CB 4.38Å; L1549-L1573 HydrophobicContact CD2-CD1 4Å; L1549-T1576 HydrophobicContact CD1-CG2 4.05Å; L1549-F1603 HydrophobicContact CB-CD1 3.64Å; L1549-F1603 HydrophobicContact CB-CE1 3.83Å; L1549-F1603 HydrophobicContact CB-CG 4.28Å; L1549-F1603 HydrophobicContact CD1-CB 4.12Å; L1549-F1603 HydrophobicContact CD1-CD1 4.3Å; L1549-F1603 HydrophobicContact CD1-CG 4.11Å; L1549-Y1607 WeakPolarHBondContact CA-OH 3.13Å; L1549-Y1607 HydrophobicContact CB-CE2 3.97Å; L1549-Y1607 HydrophobicContact CD2-CE1 4.4Å; L1549-Y1607 HydrophobicContact CD2-CE2 3.92Å; L1549-Y1607 HydrophobicContact CG-CE2 4.49Å; L1549-Y1607 WeakPolarHBondContact O-CE2 3.29Å; L1549-Y1607 PolarHBondContact O-OH 2.78Å |
| 1550 | N | 86.3 | Confident | 76.8 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.5 | -45.2 | 179.4 | -167.8 | 86.5 | 0 | 0 | 0 | 112.1 | F1546 L1552 L1553 E1554 F1603 | F1546-N1550 VanDerWaalsContact O-CB 3.26Å; F1546-N1550 WeakPolarHBondContact O-CB 3.32Å; F1546-N1550 PolarHBondContact O-N 2.89Å; N1550-L1552 VanDerWaalsContact C-N 3.28Å; N1550-L1552 PolarHBondContact O-N 3.02Å; N1550-L1553 WeakPolarHBondContact O-CB 3.49Å; N1550-L1553 PolarHBondContact O-N 3.44Å; N1550-E1554 PolarHBondContact ND2-OE1 3.21Å; N1550-E1554 PolarHBondContact O-N 2.9Å; N1550-F1603 HydrophobicContact CB-CE1 4.02Å; N1550-F1603 HydrophobicContact CB-CZ 4.26Å |
| 1551 | A | 79.3 | Confident | 74.9 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.4 | -26.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1506 P1547 L1553 E1554 D1555 | F1506-A1551 HydrophobicContact CD1-CB 4.24Å; F1506-A1551 HydrophobicContact CE1-CB 3.44Å; F1506-A1551 VanDerWaalsContact CE1-CB 3.44Å; F1506-A1551 HydrophobicContact CE2-CB 4.12Å; F1506-A1551 HydrophobicContact CZ-CB 3.36Å; P1547-A1551 PolarHBondContact O-N 2.74Å; P1547-A1551 VanDerWaalsContact O-N 3.15Å; A1551-L1553 VanDerWaalsContact C-N 3.27Å; A1551-L1553 PolarHBondContact O-N 2.9Å; A1551-E1554 PolarHBondContact O-N 2.94Å; A1551-D1555 WeakPolarHBondContact O-CB 3.25Å; A1551-D1555 PolarHBondContact O-N 3.47Å |
| 1552 | L | 80.2 | Confident | 72.8 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75.8 | -17 | 175.6 | -84.3 | 178.6 | 0 | 0 | 0 | 112.8 | F1506 L1548 L1549 N1550 T1568 R1569 A1572 Y1607 | F1506-L1552 HydrophobicContact CD1-CD2 4.07Å; F1506-L1552 HydrophobicContact CD1-CG 4.39Å; F1506-L1552 HydrophobicContact CE1-CB 4.12Å; F1506-L1552 HydrophobicContact CE1-CD2 3.67Å; F1506-L1552 HydrophobicContact CE1-CG 3.5Å; F1506-L1552 HydrophobicContact CZ-CD2 4.49Å; F1506-L1552 HydrophobicContact CZ-CG 3.98Å; L1548-L1552 HydrophobicContact CD1-CD1 3.97Å; L1548-L1552 HydrophobicContact CD1-CG 4.31Å; L1548-L1552 HydrophobicContact CG-CD1 4.33Å; L1548-L1552 WeakPolarHBondContact O-CB 3.25Å; L1548-L1552 WeakPolarHBondContact O-CG 3.11Å; L1548-L1552 PolarHBondContact O-N 2.95Å; L1548-L1552 VanDerWaalsContact O-N 3.13Å; L1549-L1552 PolarHBondContact O-N 2.86Å; N1550-L1552 VanDerWaalsContact C-N 3.28Å; N1550-L1552 PolarHBondContact O-N 3.02Å; L1552-T1568 HydrophobicContact CD2-CG2 4.31Å; L1552-R1569 HydrophobicContact CB-CG 4.39Å; L1552-R1569 PolarHBondContact O-NE 3.16Å; L1552-R1569 PolarHBondContact O-NH2 3.2Å; L1552-A1572 HydrophobicContact CD1-CB 3.81Å; L1552-Y1607 WeakPolarHBondContact CB-OH 3.28Å |
| 1553 | L | 80.3 | Confident | 70.9 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -81.2 | -46.1 | 165 | -69.5 | 160.3 | 0 | 0 | 0 | 110.8 | L1549 N1550 A1551 D1555 A1556 F1603 R1606 Y1607 L1610 | L1549-L1553 WeakPolarHBondContact O-CG 3.46Å; L1549-L1553 PolarHBondContact O-N 2.9Å; N1550-L1553 WeakPolarHBondContact O-CB 3.49Å; N1550-L1553 PolarHBondContact O-N 3.44Å; A1551-L1553 VanDerWaalsContact C-N 3.27Å; A1551-L1553 PolarHBondContact O-N 2.9Å; L1553-D1555 VanDerWaalsContact C-N 3.33Å; L1553-D1555 PolarHBondContact O-N 3.15Å; L1553-A1556 WeakPolarHBondContact O-CB 3.3Å; L1553-A1556 PolarHBondContact O-N 2.92Å; L1553-F1603 HydrophobicContact CD1-CD1 4.24Å; L1553-F1603 HydrophobicContact CD1-CE1 4.35Å; L1553-R1606 HydrophobicContact CD1-CB 3.99Å; L1553-R1606 HydrophobicContact CD2-CB 4.33Å; L1553-Y1607 HydrophobicContact CD1-CD2 4.04Å; L1553-Y1607 HydrophobicContact CD1-CE2 3.63Å; L1553-Y1607 HydrophobicContact CD2-CD2 3.85Å; L1553-Y1607 HydrophobicContact CD2-CE2 3.81Å; L1553-Y1607 HydrophobicContact CD2-CG 4.36Å; L1553-Y1607 HydrophobicContact CG-CD2 4.02Å; L1553-Y1607 HydrophobicContact CG-CE2 3.49Å; L1553-Y1607 VanDerWaalsContact CG-CE2 3.49Å; L1553-L1610 HydrophobicContact CD2-CD1 3.97Å; L1553-L1610 HydrophobicContact CD2-CD2 4.4Å; L1553-L1610 HydrophobicContact CD2-CG 4.15Å |
| 1554 | E | 73.6 | Confident | 69.6 | Low | 108 Ų | 108 | 59.4 Ų | 59.4 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 179.8 | -71.7 | 174.8 | -177.7 | 0 | 0 | 112.5 | N1550 A1551 A1556 A1557 | N1550-E1554 PolarHBondContact ND2-OE1 3.21Å; N1550-E1554 PolarHBondContact O-N 2.9Å; A1551-E1554 PolarHBondContact O-N 2.94Å; E1554-A1556 PolarHBondContact O-N 2.87Å; E1554-A1556 VanDerWaalsContact O-N 3.16Å; E1554-A1557 PolarHBondContact O-N 3.08Å; E1554-A1557 VanDerWaalsContact O-N 3.11Å |
| 1555 | D | 64.4 | Low | 68.7 | Low | 55 Ų | 55 | 60 Ų | 60 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -61.4 | -21.7 | 176.9 | -165.1 | 53.4 | 0 | 0 | 0 | 113.3 | A1551 L1553 A1557 S1558 | A1551-D1555 WeakPolarHBondContact O-CB 3.25Å; A1551-D1555 PolarHBondContact O-N 3.47Å; L1553-D1555 VanDerWaalsContact C-N 3.33Å; L1553-D1555 PolarHBondContact O-N 3.15Å; D1555-A1557 PolarHBondContact O-N 2.73Å; D1555-S1558 PolarHBondContact O-OG 2.71Å |
| 1556 | A | 58.1 | Low | 68 | Low | 40 Ų | 40 | 62.3 Ų | 62.3 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -68.9 | -16.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1553 E1554 R1569 L1610 | L1553-A1556 WeakPolarHBondContact O-CB 3.3Å; L1553-A1556 PolarHBondContact O-N 2.92Å; E1554-A1556 PolarHBondContact O-N 2.87Å; E1554-A1556 VanDerWaalsContact O-N 3.16Å; A1556-R1569 VanDerWaalsContact CB-NH2 3.26Å; A1556-L1610 HydrophobicContact CB-CD2 3.99Å |
| 1557 | A | 53.5 | Low | 67.6 | Low | 93 Ų | 93 | 64.8 Ų | 64.8 | 77% | 0.769 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -95 | 7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1554 D1555 | E1554-A1557 PolarHBondContact O-N 3.08Å; E1554-A1557 VanDerWaalsContact O-N 3.11Å; D1555-A1557 PolarHBondContact O-N 2.73Å |
| 1558 | S | 56.4 | Low | 67.4 | Low | 57 Ų | 57 | 64.5 Ų | 64.5 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | trans | -106.7 | 128.2 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | D1555 D1560 S1561 | D1555-S1558 PolarHBondContact O-OG 2.71Å; S1558-D1560 PolarHBondContact O-N 2.7Å; S1558-S1561 PolarHBondContact O-N 2.59Å; S1558-S1561 PolarHBondContact O-OG 3.06Å | ||
| 1559 | E | 49 | Very low | 67.3 | Low | 204 Ų | 204 | 65.3 Ų | 65.3 | 95% | 0.953 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -15.2 | -170.4 | -60.7 | -174 | 136.9 | 0 | 0 | 114.1 | ||
| 1560 | D | 47.6 | Very low | 67.3 | Low | 138 Ų | 138 | 66.3 Ų | 66.3 | 74% | 0.738 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -5.6 | -177.5 | -79.1 | -37.7 | 0 | 0 | 0 | 115 | S1558 T1562 | S1558-D1560 PolarHBondContact O-N 2.7Å; D1560-T1562 VanDerWaalsContact C-N 3.33Å; D1560-T1562 PolarHBondContact O-N 2.91Å; D1560-T1562 PolarHBondContact O-OG1 3.35Å |
| 1561 | S | 49.6 | Very low | 67.4 | Low | 51 Ų | 51 | 68 Ų | 68 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | trans | -76.4 | 73.8 | -169.4 | 72.6 | 0 | 0 | 0 | 0 | 113.9 | S1558 Y1563 | S1558-S1561 PolarHBondContact O-N 2.59Å; S1558-S1561 PolarHBondContact O-OG 3.06Å; S1561-Y1563 PolarHBondContact O-N 2.7Å | ||
| 1562 | T | 46.1 | Very low | 67.7 | Low | 120 Ų | 120 | 67 Ų | 67 | 74% | 0.736 | 36% | 0.362 | S | S | * | . | trans | -66 | 118.4 | -173.2 | -57 | 0 | 0 | 0 | 0 | 113.4 | D1560 | D1560-T1562 VanDerWaalsContact C-N 3.33Å; D1560-T1562 PolarHBondContact O-N 2.91Å; D1560-T1562 PolarHBondContact O-OG1 3.35Å | ||
| 1563 | Y | 50.2 | Low | 68.1 | Low | 224 Ų | 224 | 67 Ų | 67 | 88% | 0.878 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 36.6 | 95.8 | 162.9 | -79.9 | -97.5 | 0 | 0 | 0 | 118 | S1561 | S1561-Y1563 PolarHBondContact O-N 2.7Š|
| 1564 | G | 57.6 | Low | 68.4 | Low | 25 Ų | 25 | 67.1 Ų | 67.1 | 26% | 0.258 | 36% | 0.364 | S | S | . | . | trans | 138.6 | 26.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | R1513 | R1513-G1564 VanDerWaalsContact NH2-C 3.28Å; R1513-G1564 PolarHBondContact NH2-O 2.72Å | ||
| 1565 | S | 69.5 | Low | 69.1 | Low | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -82.6 | -28.8 | 171.5 | 43.6 | 0 | 0 | 0 | 0 | 112.9 | E1567 T1568 R1569 | S1565-E1567 PolarHBondContact O-N 3.04Å; S1565-T1568 CarbonylContact O-C 3.56Å; S1565-T1568 VanDerWaalsContact O-CA 3.3Å; S1565-T1568 WeakPolarHBondContact O-CA 3.45Å; S1565-T1568 WeakPolarHBondContact O-CB 3.44Å; S1565-T1568 PolarHBondContact O-N 3.18Å; S1565-T1568 PolarHBondContact O-OG1 2.9Å; S1565-R1569 PolarHBondContact O-N 3.12Å; S1565-R1569 PolarHBondContact OG-NH1 3.38Å |
| 1566 | D | 76 | Confident | 70.2 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | -174.7 | -70.6 | -10.7 | 0 | 0 | 0 | 114.9 | T1568 R1569 V1570 S1612 | D1566-T1568 PolarHBondContact O-N 3.02Å; D1566-R1569 WeakPolarHBondContact O-CB 3.23Å; D1566-R1569 PolarHBondContact O-N 2.82Å; D1566-R1569 VanDerWaalsContact O-N 3.08Å; D1566-R1569 IonicContact OD1-CZ 2.67Å; D1566-R1569 IonicContact OD1-NE 2.7Å; D1566-R1569 IonicContact OD1-NH1 3.64Å; D1566-R1569 PolarHBondContact OD1-NH1 3.05Å; D1566-V1570 WeakPolarHBondContact O-CG2 3.12Å; D1566-V1570 PolarHBondContact O-N 3.31Å; D1566-S1612 VanDerWaalsContact OD2-CB 3.29Å; D1566-S1612 WeakPolarHBondContact OD2-CB 3.29Å; D1566-S1612 PolarHBondContact OD2-OG 3.1Å |
| 1567 | E | 80.9 | Confident | 71.6 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -32.3 | 172.4 | -169.6 | -169.2 | 161.5 | 0 | 0 | 111.8 | K1510 S1565 R1571 | K1510-E1567 WeakPolarHBondContact CE-OE2 2.98Å; K1510-E1567 IonicContact NZ-OE2 3.5Å; K1510-E1567 PolarHBondContact NZ-OE2 2.75Å; S1565-E1567 PolarHBondContact O-N 3.04Å; E1567-R1571 WeakPolarHBondContact O-CB 3.07Å; E1567-R1571 VanDerWaalsContact O-CD 3.29Å; E1567-R1571 WeakPolarHBondContact O-CD 3.36Å; E1567-R1571 WeakPolarHBondContact O-CG 3.5Å; E1567-R1571 PolarHBondContact O-N 3.08Å; E1567-R1571 IonicContact OE1-CZ 3.38Å; E1567-R1571 IonicContact OE1-NE 3.35Å; E1567-R1571 PolarHBondContact OE1-NE 3.16Å; E1567-R1571 IonicContact OE1-NH2 2.69Å; E1567-R1571 PolarHBondContact OE1-NH2 2.78Å |
| 1568 | T | 83.6 | Confident | 73.3 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.4 | -43.1 | 177.3 | -43 | 0 | 0 | 0 | 0 | 110.1 | C1505 R1513 V1517 L1552 S1565 D1566 A1572 | C1505-T1568 HydrophobicContact CB-CG2 4.26Å; R1513-T1568 HydrophobicContact CB-CG2 4.26Å; V1517-T1568 HydrophobicContact CG2-CG2 3.56Å; L1552-T1568 HydrophobicContact CD2-CG2 4.31Å; S1565-T1568 CarbonylContact O-C 3.56Å; S1565-T1568 VanDerWaalsContact O-CA 3.3Å; S1565-T1568 WeakPolarHBondContact O-CA 3.45Å; S1565-T1568 WeakPolarHBondContact O-CB 3.44Å; S1565-T1568 PolarHBondContact O-N 3.18Å; S1565-T1568 PolarHBondContact O-OG1 2.9Å; D1566-T1568 PolarHBondContact O-N 3.02Å; T1568-A1572 WeakPolarHBondContact O-CB 3.41Å; T1568-A1572 PolarHBondContact O-N 3.16Å |
| 1569 | R | 85.5 | Confident | 74.7 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 6% | 0.06 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -54.9 | 175.6 | -69.6 | 179.6 | 179.6 | 137.2 | 2.2 | 112.2 | L1552 A1556 S1565 D1566 R1571 A1572 L1573 Y1607 L1615 | L1552-R1569 HydrophobicContact CB-CG 4.39Å; L1552-R1569 PolarHBondContact O-NE 3.16Å; L1552-R1569 PolarHBondContact O-NH2 3.2Å; A1556-R1569 VanDerWaalsContact CB-NH2 3.26Å; S1565-R1569 PolarHBondContact O-N 3.12Å; S1565-R1569 PolarHBondContact OG-NH1 3.38Å; D1566-R1569 WeakPolarHBondContact O-CB 3.23Å; D1566-R1569 PolarHBondContact O-N 2.82Å; D1566-R1569 VanDerWaalsContact O-N 3.08Å; D1566-R1569 IonicContact OD1-CZ 2.67Å; D1566-R1569 IonicContact OD1-NE 2.7Å; D1566-R1569 IonicContact OD1-NH1 3.64Å; D1566-R1569 PolarHBondContact OD1-NH1 3.05Å; R1569-R1571 PolarHBondContact O-N 3.25Å; R1569-A1572 PolarHBondContact O-N 3Å; R1569-L1573 WeakPolarHBondContact O-CB 3.47Å; R1569-L1573 PolarHBondContact O-N 3.31Å; R1569-Y1607 HydrophobicContact CB-CD1 4.34Å; R1569-Y1607 HydrophobicContact CB-CE1 3.79Å; R1569-Y1607 HydrophobicContact CG-CE1 3.97Å; R1569-L1615 HydrophobicContact CB-CD1 4.25Å; R1569-L1615 HydrophobicContact CB-CD2 4.28Å |
| 1570 | V | 85.8 | Confident | 76.7 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.5 | -47.8 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 111 | D1566 L1573 T1574 D1614 L1615 S1618 | D1566-V1570 WeakPolarHBondContact O-CG2 3.12Å; D1566-V1570 PolarHBondContact O-N 3.31Å; V1570-L1573 PolarHBondContact O-N 3.26Å; V1570-T1574 VanDerWaalsContact O-CB 3.3Å; V1570-T1574 WeakPolarHBondContact O-CB 3.42Å; V1570-T1574 PolarHBondContact O-N 3Å; V1570-T1574 PolarHBondContact O-OG1 3.27Å; V1570-D1614 HydrophobicContact CG2-CB 3.88Å; V1570-L1615 HydrophobicContact CG2-CD2 3.68Å; V1570-L1615 HydrophobicContact CG2-CG 3.97Å; V1570-S1618 WeakPolarHBondContact CG1-OG 3.47Å |
| 1571 | R | 87.8 | Confident | 78.6 | Confident | 89 Ų | 89 | 43 Ų | 43 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -44.6 | 179 | -71.3 | 171.2 | -177.8 | -125 | 10.9 | 112 | V1517 E1567 R1569 T1574 M1575 | V1517-R1571 HydrophobicContact CG1-CB 3.66Å; V1517-R1571 HydrophobicContact CG1-CG 4.46Å; E1567-R1571 WeakPolarHBondContact O-CB 3.07Å; E1567-R1571 VanDerWaalsContact O-CD 3.29Å; E1567-R1571 WeakPolarHBondContact O-CD 3.36Å; E1567-R1571 WeakPolarHBondContact O-CG 3.5Å; E1567-R1571 PolarHBondContact O-N 3.08Å; E1567-R1571 IonicContact OE1-CZ 3.38Å; E1567-R1571 IonicContact OE1-NE 3.35Å; E1567-R1571 PolarHBondContact OE1-NE 3.16Å; E1567-R1571 IonicContact OE1-NH2 2.69Å; E1567-R1571 PolarHBondContact OE1-NH2 2.78Å; R1569-R1571 PolarHBondContact O-N 3.25Å; R1571-T1574 PolarHBondContact O-N 3.27Å; R1571-M1575 WeakPolarHBondContact O-CB 3.34Å; R1571-M1575 PolarHBondContact O-N 2.97Å |
| 1572 | A | 87 | Confident | 80.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1548 L1549 L1552 T1568 R1569 M1575 T1576 | L1548-A1572 HydrophobicContact CD2-CB 4.16Å; L1548-A1572 HydrophobicContact CG-CB 4.4Å; L1549-A1572 HydrophobicContact CD2-CB 4.25Å; L1552-A1572 HydrophobicContact CD1-CB 3.81Å; T1568-A1572 WeakPolarHBondContact O-CB 3.41Å; T1568-A1572 PolarHBondContact O-N 3.16Å; R1569-A1572 PolarHBondContact O-N 3Å; A1572-M1575 PolarHBondContact O-N 3.07Å; A1572-T1576 PolarHBondContact O-N 2.92Å; A1572-T1576 PolarHBondContact O-OG1 3Å |
| 1573 | L | 87.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -47.8 | 176.8 | -165.7 | 76 | 0 | 0 | 0 | 111.5 | L1549 R1569 V1570 M1575 T1576 G1577 M1604 Y1607 L1615 V1619 | L1549-L1573 HydrophobicContact CD1-CD1 4.3Å; L1549-L1573 HydrophobicContact CD2-CB 4.38Å; L1549-L1573 HydrophobicContact CD2-CD1 4Å; R1569-L1573 WeakPolarHBondContact O-CB 3.47Å; R1569-L1573 PolarHBondContact O-N 3.31Å; V1570-L1573 PolarHBondContact O-N 3.26Å; L1573-M1575 VanDerWaalsContact C-N 3.3Å; L1573-M1575 PolarHBondContact O-N 3.18Å; L1573-T1576 WeakPolarHBondContact O-CB 3.29Å; L1573-T1576 PolarHBondContact O-N 3.34Å; L1573-G1577 PolarHBondContact O-N 3.29Å; L1573-G1577 VanDerWaalsContact O-N 3.11Å; L1573-M1604 HydrophobicContact CD1-CE 3.61Å; L1573-M1604 HydrophobicContact CD1-SD 3.82Å; L1573-M1604 HydrophobicContact CD2-CE 4.37Å; L1573-M1604 HydrophobicContact CD2-SD 3.8Å; L1573-M1604 HydrophobicContact CG-CE 3.63Å; L1573-M1604 HydrophobicContact CG-SD 3.73Å; L1573-Y1607 HydrophobicContact CD1-CD1 4.5Å; L1573-Y1607 HydrophobicContact CD1-CD2 4.17Å; L1573-Y1607 HydrophobicContact CD1-CG 4.1Å; L1573-Y1607 HydrophobicContact CD2-CG 4.4Å; L1573-L1615 HydrophobicContact CD2-CD2 4.43Å; L1573-V1619 HydrophobicContact CD2-CB 4.24Å; L1573-V1619 HydrophobicContact CD2-CG1 4.36Å; L1573-V1619 HydrophobicContact CD2-CG2 3.44Å; L1573-V1619 VanDerWaalsContact CD2-CG2 3.44Å |
| 1574 | T | 87.5 | Confident | 84 | Confident | 34 Ų | 34 | 29.5 Ų | 29.5 | 21% | 0.209 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | 176.1 | -56.8 | 0 | 0 | 0 | 0 | 112 | V1570 R1571 K1578 | V1570-T1574 VanDerWaalsContact O-CB 3.3Å; V1570-T1574 WeakPolarHBondContact O-CB 3.42Å; V1570-T1574 PolarHBondContact O-N 3Å; V1570-T1574 PolarHBondContact O-OG1 3.27Å; R1571-T1574 PolarHBondContact O-N 3.27Å; T1574-K1578 HydrophobicContact CG2-CD 4.05Å; T1574-K1578 WeakPolarHBondContact O-CB 3.24Å; T1574-K1578 VanDerWaalsContact O-CG 3.3Å; T1574-K1578 WeakPolarHBondContact O-CG 3.42Å; T1574-K1578 PolarHBondContact O-N 3.49Å |
| 1575 | M | 88 | Confident | 85.5 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.1 | 178.8 | 174.5 | 70.1 | 0 | 0 | 111.7 | L1520 Q1521 L1524 F1545 L1548 R1571 A1572 L1573 K1578 V1579 | L1520-M1575 HydrophobicContact CD2-CE 3.62Å; L1520-M1575 HydrophobicContact CG-CE 3.82Å; L1520-M1575 HydrophobicContact CG-SD 4.21Å; Q1521-M1575 VanDerWaalsContact CA-SD 3.59Å; Q1521-M1575 HydrophobicContact CB-SD 3.7Å; Q1521-M1575 HydrophobicContact CG-CG 4.42Å; Q1521-M1575 HydrophobicContact CG-SD 4.18Å; L1524-M1575 HydrophobicContact CD1-CE 4.32Å; L1524-M1575 HydrophobicContact CD1-CG 3.98Å; L1524-M1575 HydrophobicContact CD1-SD 3.66Å; F1545-M1575 HydrophobicContact CD1-CE 4.4Å; F1545-M1575 HydrophobicContact CE1-CE 3.93Å; F1545-M1575 HydrophobicContact CE1-CG 4.1Å; L1548-M1575 HydrophobicContact CD2-CE 4.11Å; R1571-M1575 WeakPolarHBondContact O-CB 3.34Å; R1571-M1575 PolarHBondContact O-N 2.97Å; A1572-M1575 PolarHBondContact O-N 3.07Å; L1573-M1575 VanDerWaalsContact C-N 3.3Å; L1573-M1575 PolarHBondContact O-N 3.18Å; M1575-K1578 PolarHBondContact O-N 2.91Å; M1575-V1579 WeakPolarHBondContact O-CG2 3.25Å; M1575-V1579 PolarHBondContact O-N 2.77Å |
| 1576 | T | 87.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 176.9 | -55 | 0 | 0 | 0 | 0 | 110.9 | F1541 F1545 L1549 A1572 L1573 V1579 F1580 | F1541-T1576 HydrophobicContact CD1-CG2 3.99Å; F1541-T1576 HydrophobicContact CE1-CG2 3.74Å; F1545-T1576 HydrophobicContact CB-CG2 4.03Å; F1545-T1576 HydrophobicContact CD1-CG2 4.44Å; F1545-T1576 WeakPolarHBondContact CD1-OG1 3.09Å; F1545-T1576 HydrophobicContact CG-CG2 4.25Å; L1549-T1576 HydrophobicContact CD1-CG2 4.05Å; A1572-T1576 PolarHBondContact O-N 2.92Å; A1572-T1576 PolarHBondContact O-OG1 3Å; L1573-T1576 WeakPolarHBondContact O-CB 3.29Å; L1573-T1576 PolarHBondContact O-N 3.34Å; T1576-V1579 PolarHBondContact O-N 2.69Å; T1576-F1580 PolarHBondContact O-N 3.5Å |
| 1577 | G | 87.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1573 F1580 L1581 M1626 | L1573-G1577 PolarHBondContact O-N 3.29Å; L1573-G1577 VanDerWaalsContact O-N 3.11Å; G1577-F1580 PolarHBondContact O-N 3.34Å; G1577-L1581 WeakPolarHBondContact O-CG 3.47Å; G1577-L1581 PolarHBondContact O-N 2.85Å; G1577-M1626 VanDerWaalsContact CA-SD 3.55Å |
| 1578 | K | 87.7 | Confident | 87 | Confident | 124 Ų | 124 | 32.6 Ų | 32.6 | 54% | 0.539 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64 | -41.7 | 176.4 | -78.1 | 173.4 | -179.4 | 172.9 | 0 | 112.9 | T1574 M1575 L1581 Q1582 | T1574-K1578 HydrophobicContact CG2-CD 4.05Å; T1574-K1578 WeakPolarHBondContact O-CB 3.24Å; T1574-K1578 VanDerWaalsContact O-CG 3.3Å; T1574-K1578 WeakPolarHBondContact O-CG 3.42Å; T1574-K1578 PolarHBondContact O-N 3.49Å; M1575-K1578 PolarHBondContact O-N 2.91Å; K1578-L1581 PolarHBondContact O-N 2.97Å; K1578-Q1582 WeakPolarHBondContact O-CB 3.13Å; K1578-Q1582 PolarHBondContact O-N 3.18Å |
| 1579 | V | 87.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70 | -37.2 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L1524 W1537 F1541 F1545 M1575 T1576 L1581 Q1582 H1583 | L1524-V1579 HydrophobicContact CB-CG2 4.27Å; L1524-V1579 HydrophobicContact CD1-CG2 4.28Å; W1537-V1579 HydrophobicContact CE3-CG1 3.87Å; W1537-V1579 HydrophobicContact CZ3-CG1 3.62Å; F1541-V1579 HydrophobicContact CZ-CB 4.47Å; F1541-V1579 HydrophobicContact CZ-CG1 4.1Å; F1545-V1579 HydrophobicContact CE2-CB 4.32Å; F1545-V1579 HydrophobicContact CE2-CG1 3.92Å; F1545-V1579 HydrophobicContact CZ-CB 4.04Å; F1545-V1579 HydrophobicContact CZ-CG1 4.01Å; F1545-V1579 HydrophobicContact CZ-CG2 3.94Å; M1575-V1579 WeakPolarHBondContact O-CG2 3.25Å; M1575-V1579 PolarHBondContact O-N 2.77Å; T1576-V1579 PolarHBondContact O-N 2.69Å; V1579-L1581 PolarHBondContact O-N 3.29Å; V1579-Q1582 PolarHBondContact O-N 3.39Å; V1579-H1583 PolarHBondContact O-CD2 3.43Å; V1579-H1583 PolarHBondContact O-N 3.45Å |
| 1580 | F | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 173.1 | 175.7 | -105.1 | 0 | 0 | 0 | 111.3 | F1541 T1576 G1577 H1583 L1584 L1587 F1593 W1597 I1600 M1626 M1630 | F1541-F1580 HydrophobicContact CE1-CB 4.22Å; F1541-F1580 HydrophobicContact CZ-CB 3.82Å; T1576-F1580 PolarHBondContact O-N 3.5Å; G1577-F1580 PolarHBondContact O-N 3.34Å; F1580-H1583 PolarHBondContact O-N 3.07Å; F1580-L1584 HydrophobicContact CD1-CD1 4.45Å; F1580-L1584 HydrophobicContact CE1-CD1 3.79Å; F1580-L1584 HydrophobicContact CE2-CD1 4.33Å; F1580-L1584 HydrophobicContact CZ-CD1 3.72Å; F1580-L1584 VanDerWaalsContact O-CA 3.32Å; F1580-L1584 WeakPolarHBondContact O-CA 3.39Å; F1580-L1584 PolarHBondContact O-N 2.95Å; F1580-L1587 HydrophobicContact CD2-CD1 3.82Å; F1580-L1587 HydrophobicContact CE2-CD1 4.29Å; F1580-F1593 AromaticContact CE2-CE2 3.69Å; F1580-F1593 HydrophobicContact CE2-CE2 3.69Å; F1580-F1593 HydrophobicContact CE2-CZ 4.33Å; F1580-F1593 AromaticContact CZ-CE2 3.78Å; F1580-F1593 HydrophobicContact CZ-CE2 3.78Å; F1580-F1593 AromaticContact CZ-CZ 3.94Å; F1580-F1593 HydrophobicContact CZ-CZ 3.94Å; F1580-W1597 HydrophobicContact CD1-CE3 4.39Å; F1580-W1597 HydrophobicContact CD1-CZ3 4.31Å; F1580-W1597 AromaticContact CE1-CE3 3.55Å; F1580-W1597 HydrophobicContact CE1-CE3 3.55Å; F1580-W1597 AromaticContact CE1-CZ3 3.7Å; F1580-W1597 HydrophobicContact CE1-CZ3 3.7Å; F1580-W1597 HydrophobicContact CE2-CE3 4.4Å; F1580-W1597 HydrophobicContact CZ-CD2 4.27Å; F1580-W1597 AromaticContact CZ-CE3 3.55Å; F1580-W1597 HydrophobicContact CZ-CE3 3.55Å; F1580-W1597 HydrophobicContact CZ-CZ3 4.2Å; F1580-I1600 HydrophobicContact CB-CD1 4.04Å; F1580-I1600 HydrophobicContact CD1-CD1 4.35Å; F1580-I1600 HydrophobicContact CD2-CD1 3.31Å; F1580-I1600 HydrophobicContact CE2-CD1 3.76Å; F1580-I1600 HydrophobicContact CG-CD1 3.65Å; F1580-I1600 HydrophobicContact CZ-CD1 4.44Å; F1580-M1626 HydrophobicContact CD1-CG 4.43Å; F1580-M1626 HydrophobicContact CD1-SD 3.98Å; F1580-M1630 HydrophobicContact CE1-CG 4.43Å; F1580-M1630 HydrophobicContact CE1-SD 3.75Å; F1580-M1630 HydrophobicContact CZ-SD 4.08Å |
| 1581 | L | 88.4 | Confident | 87.1 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -38.5 | 177 | -71.1 | -178.9 | 0 | 0 | 0 | 113.7 | G1577 K1578 V1579 H1583 L1584 M1626 V1629 | G1577-L1581 WeakPolarHBondContact O-CG 3.47Å; G1577-L1581 PolarHBondContact O-N 2.85Å; K1578-L1581 PolarHBondContact O-N 2.97Å; V1579-L1581 PolarHBondContact O-N 3.29Å; L1581-H1583 PolarHBondContact O-N 2.94Å; L1581-L1584 HydrophobicContact CD2-CD2 4.17Å; L1581-L1584 WeakPolarHBondContact O-CB 3.2Å; L1581-L1584 PolarHBondContact O-N 3.23Å; L1581-M1626 HydrophobicContact CD1-CG 3.87Å; L1581-M1626 HydrophobicContact CD2-CB 4.38Å; L1581-M1626 HydrophobicContact CD2-CG 4.16Å; L1581-M1626 HydrophobicContact CG-CG 3.9Å; L1581-V1629 HydrophobicContact CD1-CG2 4.41Å; L1581-V1629 HydrophobicContact CD2-CB 3.78Å; L1581-V1629 HydrophobicContact CD2-CG1 3.8Å; L1581-V1629 HydrophobicContact CD2-CG2 4.46Å |
| 1582 | Q | 86.1 | Confident | 87.1 | Confident | 89 Ų | 89 | 41.4 Ų | 41.4 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -30.2 | 179.9 | -170.1 | -179.8 | -67.7 | 0 | 0 | 112.8 | K1578 V1579 | K1578-Q1582 WeakPolarHBondContact O-CB 3.13Å; K1578-Q1582 PolarHBondContact O-N 3.18Å; V1579-Q1582 PolarHBondContact O-N 3.39Å |
| 1583 | H | 85.8 | Confident | 87.3 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 16.3 | -178.1 | -61.3 | -74.9 | 0 | 0 | 0 | 113.5 | W1537 V1579 F1580 L1581 M1585 L1586 L1587 | W1537-H1583 HydrophobicContact CD2-CB 4.43Å; W1537-H1583 AromaticContact CD2-CD2 3.75Å; W1537-H1583 AromaticContact CD2-CG 3.91Å; W1537-H1583 AromaticContact CE2-CD2 3.64Å; W1537-H1583 AromaticContact CE2-CE1 3.71Å; W1537-H1583 AromaticContact CE2-CG 3.77Å; W1537-H1583 AromaticContact CE2-ND1 3.69Å; W1537-H1583 AromaticContact CE2-NE2 3.48Å; W1537-H1583 AromaticContact CE3-CD2 3.92Å; W1537-H1583 HydrophobicContact CG-CB 4.27Å; W1537-H1583 AromaticContact CH2-CD2 3.92Å; W1537-H1583 AromaticContact CH2-NE2 2.79Å; W1537-H1583 WeakPolarHBondContact CH2-NE2 3.48Å; W1537-H1583 AromaticContact CZ2-CD2 3.75Å; W1537-H1583 AromaticContact CZ2-CE1 3.41Å; W1537-H1583 VanDerWaalsContact CZ2-CE1 3.41Å; W1537-H1583 WeakPolarHBondContact CZ2-CE1 3.39Å; W1537-H1583 AromaticContact CZ2-NE2 2.78Å; W1537-H1583 WeakPolarHBondContact CZ2-NE2 3.37Å; W1537-H1583 AromaticContact CZ3-NE2 3.51Å; W1537-H1583 AromaticContact NE1-CE1 3.76Å; W1537-H1583 AromaticContact NE1-CG 3.85Å; W1537-H1583 AromaticContact NE1-ND1 3.49Å; W1537-H1583 PolarHBondContact NE1-ND1 3.26Å; V1579-H1583 PolarHBondContact O-CD2 3.43Å; V1579-H1583 PolarHBondContact O-N 3.45Å; F1580-H1583 PolarHBondContact O-N 3.07Å; L1581-H1583 PolarHBondContact O-N 2.94Å; H1583-M1585 VanDerWaalsContact C-N 3.29Å; H1583-M1585 PolarHBondContact O-N 2.99Å; H1583-M1585 VanDerWaalsContact O-N 3.17Å; H1583-L1586 WeakPolarHBondContact O-CB 3.41Å; H1583-L1586 PolarHBondContact O-N 3.38Å; H1583-L1587 HydrophobicContact CB-CD1 4.46Å; H1583-L1587 PolarHBondContact O-N 2.88Å |
| 1584 | L | 87.7 | Confident | 87.3 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51.1 | -44.5 | -172.6 | -177.5 | 61.4 | 0 | 0 | 0 | 113.2 | F1580 L1581 L1586 L1587 S1588 F1593 V1629 M1630 A1633 L1635 | F1580-L1584 HydrophobicContact CD1-CD1 4.45Å; F1580-L1584 HydrophobicContact CE1-CD1 3.79Å; F1580-L1584 HydrophobicContact CE2-CD1 4.33Å; F1580-L1584 HydrophobicContact CZ-CD1 3.72Å; F1580-L1584 VanDerWaalsContact O-CA 3.32Å; F1580-L1584 WeakPolarHBondContact O-CA 3.39Å; F1580-L1584 PolarHBondContact O-N 2.95Å; L1581-L1584 HydrophobicContact CD2-CD2 4.17Å; L1581-L1584 WeakPolarHBondContact O-CB 3.2Å; L1581-L1584 PolarHBondContact O-N 3.23Å; L1584-L1586 VanDerWaalsContact C-N 3.33Å; L1584-L1586 PolarHBondContact O-N 3.49Å; L1584-L1587 PolarHBondContact O-N 2.84Å; L1584-S1588 WeakPolarHBondContact O-CB 3.37Å; L1584-S1588 PolarHBondContact O-N 3.2Å; L1584-S1588 PolarHBondContact O-OG 3.27Å; L1584-F1593 HydrophobicContact CD1-CE2 3.98Å; L1584-F1593 HydrophobicContact CD1-CZ 3.78Å; L1584-V1629 HydrophobicContact CD2-CG1 3.97Å; L1584-M1630 HydrophobicContact CD1-CG 4.08Å; L1584-M1630 HydrophobicContact CD2-CG 4.03Å; L1584-A1633 HydrophobicContact CD2-CB 4.4Å; L1584-L1635 HydrophobicContact CD1-CD1 3.68Å; L1584-L1635 HydrophobicContact CD2-CD1 3.91Å; L1584-L1635 HydrophobicContact CG-CD1 3.68Å |
| 1585 | M | 87.6 | Confident | 87.3 | Confident | 119 Ų | 119 | 44.1 Ų | 44.1 | 59% | 0.586 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -71.7 | -21.9 | -179.5 | -58.7 | -53.7 | -63.5 | 0 | 0 | 114.3 | H1583 S1588 A1633 | H1583-M1585 VanDerWaalsContact C-N 3.29Å; H1583-M1585 PolarHBondContact O-N 2.99Å; H1583-M1585 VanDerWaalsContact O-N 3.17Å; M1585-S1588 PolarHBondContact O-OG 2.88Å; M1585-A1633 HydrophobicContact SD-CB 4.19Å |
| 1586 | L | 85.1 | Confident | 87.4 | Confident | 78 Ų | 78 | 43.9 Ų | 43.9 | 41% | 0.408 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -83.4 | -32.8 | 173.6 | -67.1 | 172.3 | 0 | 0 | 0 | 111 | G1534 H1583 L1584 | G1534-L1586 WeakPolarHBondContact CA-O 3.46Å; H1583-L1586 WeakPolarHBondContact O-CB 3.41Å; H1583-L1586 PolarHBondContact O-N 3.38Å; L1584-L1586 VanDerWaalsContact C-N 3.33Å; L1584-L1586 PolarHBondContact O-N 3.49Å |
| 1587 | L | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.3 | -37.4 | 177.5 | -65.8 | 170.6 | 0 | 0 | 0 | 112 | W1537 E1538 F1541 F1580 H1583 L1584 V1589 L1590 F1593 L1596 | W1537-L1587 HydrophobicContact CB-CD2 3.85Å; E1538-L1587 HydrophobicContact CB-CD2 4.41Å; F1541-L1587 HydrophobicContact CE2-CD1 3.93Å; F1580-L1587 HydrophobicContact CD2-CD1 3.82Å; F1580-L1587 HydrophobicContact CE2-CD1 4.29Å; H1583-L1587 HydrophobicContact CB-CD1 4.46Å; H1583-L1587 PolarHBondContact O-N 2.88Å; L1584-L1587 PolarHBondContact O-N 2.84Å; L1587-V1589 PolarHBondContact O-N 2.95Å; L1587-V1589 VanDerWaalsContact O-N 3.14Å; L1587-L1590 HydrophobicContact CD2-CD1 4.07Å; L1587-L1590 VanDerWaalsContact O-CB 3.32Å; L1587-L1590 WeakPolarHBondContact O-CB 3.26Å; L1587-L1590 WeakPolarHBondContact O-CG 3.25Å; L1587-L1590 PolarHBondContact O-N 3.33Å; L1587-F1593 VanDerWaalsContact C-CD2 3.47Å; L1587-F1593 HydrophobicContact CB-CD2 3.86Å; L1587-F1593 HydrophobicContact CB-CE2 4Å; L1587-F1593 WeakPolarHBondContact O-CB 3.5Å; L1587-F1593 WeakPolarHBondContact O-CD2 3.4Å; L1587-L1596 HydrophobicContact CD1-CD2 4.29Å; L1587-L1596 HydrophobicContact CD2-CD2 3.92Å |
| 1588 | S | 87 | Confident | 87.8 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.8 | -175.6 | 63.9 | 0 | 0 | 0 | 0 | 115.3 | L1584 M1585 L1590 | L1584-S1588 WeakPolarHBondContact O-CB 3.37Å; L1584-S1588 PolarHBondContact O-N 3.2Å; L1584-S1588 PolarHBondContact O-OG 3.27Å; M1585-S1588 PolarHBondContact O-OG 2.88Å; S1588-L1590 VanDerWaalsContact C-N 3.34Å |
| 1589 | V | 85.6 | Confident | 87.8 | Confident | 121 Ų | 121 | 41.6 Ų | 41.6 | 73% | 0.733 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.7 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | L1587 | L1587-V1589 PolarHBondContact O-N 2.95Å; L1587-V1589 VanDerWaalsContact O-N 3.14Å |
| 1590 | L | 86.4 | Confident | 87.9 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -77.9 | 138.4 | -179.2 | -57.7 | 173.8 | 0 | 0 | 0 | 111.8 | A1535 E1538 L1587 S1588 S1592 F1593 | A1535-L1590 HydrophobicContact CB-CD2 4.17Å; E1538-L1590 HydrophobicContact CB-CD1 3.86Å; E1538-L1590 HydrophobicContact CG-CD1 4.5Å; L1587-L1590 HydrophobicContact CD2-CD1 4.07Å; L1587-L1590 VanDerWaalsContact O-CB 3.32Å; L1587-L1590 WeakPolarHBondContact O-CB 3.26Å; L1587-L1590 WeakPolarHBondContact O-CG 3.25Å; L1587-L1590 PolarHBondContact O-N 3.33Å; S1588-L1590 VanDerWaalsContact C-N 3.34Å; L1590-S1592 PolarHBondContact O-N 3.2Å; L1590-S1592 VanDerWaalsContact O-N 3.12Å; L1590-F1593 VanDerWaalsContact O-CB 3.29Å; L1590-F1593 WeakPolarHBondContact O-CB 3.49Å; L1590-F1593 PolarHBondContact O-N 3.1Å; L1590-F1593 VanDerWaalsContact O-N 3.09Å |
| 1591 | P | 83.7 | Confident | 87.8 | Confident | 136 Ų | 136 | 41.6 Ų | 41.6 | 88% | 0.883 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.4 | 175.5 | 28.6 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 1592 | S | 87.6 | Confident | 87.8 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.5 | 177.8 | 45 | 0 | 0 | 0 | 0 | 114.4 | E1538 L1590 V1594 N1595 L1596 | E1538-S1592 VanDerWaalsContact CD-OG 3.25Å; E1538-S1592 WeakPolarHBondContact OE1-CB 3.35Å; E1538-S1592 PolarHBondContact OE1-OG 3.42Å; E1538-S1592 PolarHBondContact OE2-OG 3.43Å; L1590-S1592 PolarHBondContact O-N 3.2Å; L1590-S1592 VanDerWaalsContact O-N 3.12Å; S1592-V1594 VanDerWaalsContact C-N 3.26Å; S1592-V1594 PolarHBondContact O-N 3.27Å; S1592-V1594 VanDerWaalsContact O-N 3.11Å; S1592-N1595 WeakPolarHBondContact O-CA 3.45Å; S1592-N1595 WeakPolarHBondContact O-CB 3.32Å; S1592-N1595 PolarHBondContact O-N 3.04Å; S1592-L1596 PolarHBondContact O-N 3.04Å; S1592-L1596 VanDerWaalsContact O-N 3.13Å |
| 1593 | F | 90.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -49.6 | -42.7 | -174.4 | 177.3 | -112.7 | 0 | 0 | 0 | 114.1 | F1580 L1584 L1587 L1590 N1595 L1596 W1597 M1630 L1635 V1639 L1642 | F1580-F1593 AromaticContact CE2-CE2 3.69Å; F1580-F1593 HydrophobicContact CE2-CE2 3.69Å; F1580-F1593 HydrophobicContact CE2-CZ 4.33Å; F1580-F1593 AromaticContact CZ-CE2 3.78Å; F1580-F1593 HydrophobicContact CZ-CE2 3.78Å; F1580-F1593 AromaticContact CZ-CZ 3.94Å; F1580-F1593 HydrophobicContact CZ-CZ 3.94Å; L1584-F1593 HydrophobicContact CD1-CE2 3.98Å; L1584-F1593 HydrophobicContact CD1-CZ 3.78Å; L1587-F1593 VanDerWaalsContact C-CD2 3.47Å; L1587-F1593 HydrophobicContact CB-CD2 3.86Å; L1587-F1593 HydrophobicContact CB-CE2 4Å; L1587-F1593 WeakPolarHBondContact O-CB 3.5Å; L1587-F1593 WeakPolarHBondContact O-CD2 3.4Å; L1590-F1593 VanDerWaalsContact O-CB 3.29Å; L1590-F1593 WeakPolarHBondContact O-CB 3.49Å; L1590-F1593 PolarHBondContact O-N 3.1Å; L1590-F1593 VanDerWaalsContact O-N 3.09Å; F1593-N1595 VanDerWaalsContact C-N 3.28Å; F1593-N1595 PolarHBondContact O-N 3.18Å; F1593-L1596 PolarHBondContact O-N 3.5Å; F1593-W1597 PolarHBondContact O-N 2.77Å; F1593-M1630 HydrophobicContact CE1-CE 4.36Å; F1593-M1630 HydrophobicContact CZ-CE 4.19Å; F1593-L1635 HydrophobicContact CE1-CD1 4.22Å; F1593-L1635 HydrophobicContact CZ-CD1 3.96Å; F1593-V1639 HydrophobicContact CD1-CG1 4.33Å; F1593-V1639 HydrophobicContact CD1-CG2 4.3Å; F1593-V1639 HydrophobicContact CE1-CG2 4.45Å; F1593-L1642 HydrophobicContact CD1-CD1 4.41Å; F1593-L1642 HydrophobicContact CE1-CD1 4.17Å; F1593-L1642 HydrophobicContact CE1-CD2 3.9Å |
| 1594 | V | 88 | Confident | 87.8 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.085 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -37 | 179.3 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | S1592 M1598 V1639 L1642 | S1592-V1594 VanDerWaalsContact C-N 3.26Å; S1592-V1594 PolarHBondContact O-N 3.27Å; S1592-V1594 VanDerWaalsContact O-N 3.11Å; V1594-M1598 VanDerWaalsContact O-CG 3.3Å; V1594-M1598 WeakPolarHBondContact O-CG 3.5Å; V1594-M1598 PolarHBondContact O-N 3.49Å; V1594-M1598 VanDerWaalsContact O-N 3.14Å; V1594-V1639 HydrophobicContact CG2-CG1 3.54Å; V1594-L1642 HydrophobicContact CB-CD1 4.43Å; V1594-L1642 HydrophobicContact CG1-CD1 4.25Å; V1594-L1642 HydrophobicContact CG2-CB 4.48Å; V1594-L1642 HydrophobicContact CG2-CD1 4.17Å |
| 1595 | N | 88.5 | Confident | 87.7 | Confident | 78 Ų | 78 | 38.9 Ų | 38.9 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -73.8 | -44.3 | 178.6 | -57.9 | -26.6 | 0 | 0 | 0 | 110.7 | S1592 F1593 W1597 M1598 D1599 R1645 | S1592-N1595 WeakPolarHBondContact O-CA 3.45Å; S1592-N1595 WeakPolarHBondContact O-CB 3.32Å; S1592-N1595 PolarHBondContact O-N 3.04Å; F1593-N1595 VanDerWaalsContact C-N 3.28Å; F1593-N1595 PolarHBondContact O-N 3.18Å; N1595-W1597 VanDerWaalsContact C-N 3.26Å; N1595-W1597 PolarHBondContact O-N 2.89Å; N1595-M1598 WeakPolarHBondContact O-CB 3.41Å; N1595-M1598 PolarHBondContact O-N 3.22Å; N1595-M1598 VanDerWaalsContact O-N 3.07Å; N1595-D1599 PolarHBondContact O-N 2.98Å; N1595-R1645 PolarHBondContact OD1-NH1 2.97Å |
| 1596 | L | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -41.2 | 174.9 | 176.8 | 64.5 | 0 | 0 | 0 | 111.9 | F1541 Y1542 F1546 L1587 S1592 F1593 D1599 I1600 | F1541-L1596 HydrophobicContact CB-CD1 3.57Å; F1541-L1596 HydrophobicContact CD2-CD1 4.09Å; F1541-L1596 HydrophobicContact CD2-CD2 4.16Å; F1541-L1596 HydrophobicContact CG-CD1 3.83Å; Y1542-L1596 HydrophobicContact CE2-CD1 3.94Å; F1546-L1596 HydrophobicContact CE2-CD1 3.86Å; F1546-L1596 HydrophobicContact CZ-CD1 3.74Å; L1587-L1596 HydrophobicContact CD1-CD2 4.29Å; L1587-L1596 HydrophobicContact CD2-CD2 3.92Å; S1592-L1596 PolarHBondContact O-N 3.04Å; S1592-L1596 VanDerWaalsContact O-N 3.13Å; F1593-L1596 PolarHBondContact O-N 3.5Å; L1596-D1599 PolarHBondContact O-N 3.23Å; L1596-I1600 HydrophobicContact CG-CD1 4.45Å; L1596-I1600 WeakPolarHBondContact O-CG1 3.4Å; L1596-I1600 PolarHBondContact O-N 3.48Å |
| 1597 | W | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -41.5 | 174.9 | 175.3 | -121.8 | 0 | 0 | 0 | 113 | F1580 F1593 N1595 D1599 I1600 L1601 M1626 L1627 M1630 L1642 T1646 | F1580-W1597 HydrophobicContact CD1-CE3 4.39Å; F1580-W1597 HydrophobicContact CD1-CZ3 4.31Å; F1580-W1597 AromaticContact CE1-CE3 3.55Å; F1580-W1597 HydrophobicContact CE1-CE3 3.55Å; F1580-W1597 AromaticContact CE1-CZ3 3.7Å; F1580-W1597 HydrophobicContact CE1-CZ3 3.7Å; F1580-W1597 HydrophobicContact CE2-CE3 4.4Å; F1580-W1597 HydrophobicContact CZ-CD2 4.27Å; F1580-W1597 AromaticContact CZ-CE3 3.55Å; F1580-W1597 HydrophobicContact CZ-CE3 3.55Å; F1580-W1597 HydrophobicContact CZ-CZ3 4.2Å; F1593-W1597 PolarHBondContact O-N 2.77Å; N1595-W1597 VanDerWaalsContact C-N 3.26Å; N1595-W1597 PolarHBondContact O-N 2.89Å; W1597-D1599 VanDerWaalsContact C-N 3.3Å; W1597-D1599 PolarHBondContact O-N 3.5Å; W1597-I1600 HydrophobicContact CE3-CB 4.37Å; W1597-I1600 HydrophobicContact CE3-CG2 4.33Å; W1597-I1600 HydrophobicContact CZ3-CG2 4.18Å; W1597-I1600 PolarHBondContact O-N 3.49Å; W1597-L1601 HydrophobicContact CD2-CD1 4.34Å; W1597-L1601 HydrophobicContact CD2-CG 4.27Å; W1597-L1601 HydrophobicContact CH2-CD2 3.84Å; W1597-L1601 HydrophobicContact CH2-CG 4.16Å; W1597-L1601 HydrophobicContact CZ2-CD1 3.82Å; W1597-L1601 HydrophobicContact CZ2-CD2 3.73Å; W1597-L1601 HydrophobicContact CZ2-CG 3.82Å; W1597-L1601 PolarHBondContact O-N 3.43Å; W1597-M1626 HydrophobicContact CH2-CB 3.83Å; W1597-M1626 HydrophobicContact CH2-CE 4.3Å; W1597-M1626 HydrophobicContact CZ3-CB 3.98Å; W1597-M1626 HydrophobicContact CZ3-CE 4.09Å; W1597-M1626 HydrophobicContact CZ3-SD 4.02Å; W1597-L1627 HydrophobicContact CH2-CD2 4.39Å; W1597-L1627 HydrophobicContact CZ2-CD2 3.74Å; W1597-M1630 HydrophobicContact CD2-CE 3.84Å; W1597-M1630 HydrophobicContact CD2-SD 3.86Å; W1597-M1630 HydrophobicContact CE3-CE 4.41Å; W1597-M1630 HydrophobicContact CE3-SD 3.88Å; W1597-M1630 HydrophobicContact CG-CE 4.02Å; W1597-M1630 HydrophobicContact CH2-SD 3.81Å; W1597-M1630 HydrophobicContact CZ2-CE 4.31Å; W1597-M1630 HydrophobicContact CZ2-SD 3.77Å; W1597-M1630 HydrophobicContact CZ3-SD 3.86Å; W1597-L1642 HydrophobicContact CB-CD1 4.43Å; W1597-L1642 HydrophobicContact CG-CD1 4.25Å; W1597-T1646 HydrophobicContact CZ2-CG2 4.39Å; W1597-T1646 PolarHBondContact NE1-OG1 2.79Å |
| 1598 | M | 90.9 | Very high | 87.2 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -35.4 | 173.4 | -69.4 | -58.3 | 108.5 | 0 | 0 | 112.8 | V1594 N1595 L1601 T1602 R1645 R1649 | V1594-M1598 VanDerWaalsContact O-CG 3.3Å; V1594-M1598 WeakPolarHBondContact O-CG 3.5Å; V1594-M1598 PolarHBondContact O-N 3.49Å; V1594-M1598 VanDerWaalsContact O-N 3.14Å; N1595-M1598 WeakPolarHBondContact O-CB 3.41Å; N1595-M1598 PolarHBondContact O-N 3.22Å; N1595-M1598 VanDerWaalsContact O-N 3.07Å; M1598-L1601 HydrophobicContact CE-CD1 3.97Å; M1598-T1602 WeakPolarHBondContact O-CB 3.3Å; M1598-T1602 PolarHBondContact O-N 3.19Å; M1598-T1602 PolarHBondContact O-OG1 2.83Å; M1598-R1645 HydrophobicContact CE-CB 3.84Å; M1598-R1645 HydrophobicContact SD-CB 3.87Å; M1598-R1649 HydrophobicContact SD-CB 4.34Å |
| 1599 | D | 89.2 | Confident | 86.9 | Confident | 56 Ų | 56 | 42 Ų | 42 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.5 | -43.7 | 175.7 | -72 | -32.1 | 0 | 0 | 0 | 111.1 | Y1542 F1546 N1595 L1596 W1597 L1601 T1602 F1603 | Y1542-D1599 VanDerWaalsContact CE1-OD2 3.27Å; Y1542-D1599 WeakPolarHBondContact CE1-OD2 3.27Å; Y1542-D1599 PolarHBondContact OH-OD2 3.39Å; F1546-D1599 HydrophobicContact CE2-CB 3.66Å; F1546-D1599 HydrophobicContact CZ-CB 3.67Å; N1595-D1599 PolarHBondContact O-N 2.98Å; L1596-D1599 PolarHBondContact O-N 3.23Å; W1597-D1599 VanDerWaalsContact C-N 3.3Å; W1597-D1599 PolarHBondContact O-N 3.5Å; D1599-L1601 PolarHBondContact O-N 3.38Å; D1599-T1602 PolarHBondContact O-N 3.27Å; D1599-F1603 WeakPolarHBondContact O-CD2 3.5Å; D1599-F1603 PolarHBondContact O-N 2.95Å |
| 1600 | I | 89.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 173.1 | -69.6 | 168.5 | 0 | 0 | 0 | 110.7 | F1541 F1546 F1580 L1596 W1597 T1602 F1603 M1604 M1626 | F1541-I1600 HydrophobicContact CD1-CD1 4.45Å; F1541-I1600 HydrophobicContact CE1-CD1 4.28Å; F1546-I1600 HydrophobicContact CE1-CG1 3.83Å; F1546-I1600 HydrophobicContact CZ-CG1 3.84Å; F1580-I1600 HydrophobicContact CB-CD1 4.04Å; F1580-I1600 HydrophobicContact CD1-CD1 4.35Å; F1580-I1600 HydrophobicContact CD2-CD1 3.31Å; F1580-I1600 HydrophobicContact CE2-CD1 3.76Å; F1580-I1600 HydrophobicContact CG-CD1 3.65Å; F1580-I1600 HydrophobicContact CZ-CD1 4.44Å; L1596-I1600 HydrophobicContact CG-CD1 4.45Å; L1596-I1600 WeakPolarHBondContact O-CG1 3.4Å; L1596-I1600 PolarHBondContact O-N 3.48Å; W1597-I1600 HydrophobicContact CE3-CB 4.37Å; W1597-I1600 HydrophobicContact CE3-CG2 4.33Å; W1597-I1600 HydrophobicContact CZ3-CG2 4.18Å; W1597-I1600 PolarHBondContact O-N 3.49Å; I1600-T1602 VanDerWaalsContact C-N 3.31Å; I1600-T1602 PolarHBondContact O-N 2.89Å; I1600-F1603 PolarHBondContact O-N 2.94Å; I1600-M1604 HydrophobicContact CG2-CE 4.25Å; I1600-M1604 HydrophobicContact CG2-CG 4.41Å; I1600-M1604 WeakPolarHBondContact O-CG 3.41Å; I1600-M1604 PolarHBondContact O-N 2.88Å; I1600-M1626 HydrophobicContact CG2-CE 4.15Å; I1600-M1626 HydrophobicContact CG2-SD 4.31Å |
| 1601 | L | 87.7 | Confident | 85.4 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 176.4 | -73.7 | 176.8 | 0 | 0 | 0 | 112.3 | W1597 M1598 D1599 F1603 M1604 E1605 V1623 T1646 R1649 | W1597-L1601 HydrophobicContact CD2-CD1 4.34Å; W1597-L1601 HydrophobicContact CD2-CG 4.27Å; W1597-L1601 HydrophobicContact CH2-CD2 3.84Å; W1597-L1601 HydrophobicContact CH2-CG 4.16Å; W1597-L1601 HydrophobicContact CZ2-CD1 3.82Å; W1597-L1601 HydrophobicContact CZ2-CD2 3.73Å; W1597-L1601 HydrophobicContact CZ2-CG 3.82Å; W1597-L1601 PolarHBondContact O-N 3.43Å; M1598-L1601 HydrophobicContact CE-CD1 3.97Å; D1599-L1601 PolarHBondContact O-N 3.38Å; L1601-F1603 VanDerWaalsContact C-N 3.35Å; L1601-F1603 PolarHBondContact O-N 2.93Å; L1601-M1604 PolarHBondContact O-N 3.41Å; L1601-E1605 WeakPolarHBondContact O-CB 3.18Å; L1601-E1605 PolarHBondContact O-N 3.28Å; L1601-V1623 HydrophobicContact CD2-CG1 3.96Å; L1601-T1646 HydrophobicContact CD1-CG2 4.28Å; L1601-R1649 HydrophobicContact CD1-CB 4.43Å |
| 1602 | T | 87.7 | Confident | 84.9 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.1 | -33.9 | 177.2 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | M1598 D1599 I1600 R1606 R1649 | M1598-T1602 WeakPolarHBondContact O-CB 3.3Å; M1598-T1602 PolarHBondContact O-N 3.19Å; M1598-T1602 PolarHBondContact O-OG1 2.83Å; D1599-T1602 PolarHBondContact O-N 3.27Å; I1600-T1602 VanDerWaalsContact C-N 3.31Å; I1600-T1602 PolarHBondContact O-N 2.89Å; T1602-R1606 VanDerWaalsContact O-CG 3.25Å; T1602-R1606 WeakPolarHBondContact O-CG 3.03Å; T1602-R1606 PolarHBondContact O-N 2.72Å; T1602-R1606 VanDerWaalsContact O-N 3.12Å; T1602-R1649 PolarHBondContact OG1-NH2 2.75Å |
| 1603 | F | 87 | Confident | 84.1 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 9% | 0.088 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.3 | -43.2 | 169.7 | -84 | -73.3 | 0 | 0 | 0 | 112.2 | F1546 L1549 N1550 L1553 D1599 I1600 L1601 E1605 R1606 Y1607 | F1546-F1603 HydrophobicContact CB-CD2 4.45Å; F1546-F1603 HydrophobicContact CB-CE2 3.54Å; F1546-F1603 HydrophobicContact CB-CZ 3.78Å; F1546-F1603 AromaticContact CD1-CD2 3.49Å; F1546-F1603 HydrophobicContact CD1-CD2 3.49Å; F1546-F1603 VanDerWaalsContact CD1-CD2 3.49Å; F1546-F1603 AromaticContact CD1-CE2 3.44Å; F1546-F1603 HydrophobicContact CD1-CE2 3.44Å; F1546-F1603 VanDerWaalsContact CD1-CE2 3.44Å; F1546-F1603 HydrophobicContact CD1-CG 4.45Å; F1546-F1603 HydrophobicContact CD1-CZ 4.36Å; F1546-F1603 HydrophobicContact CD2-CE2 4.15Å; F1546-F1603 AromaticContact CE1-CD2 3.84Å; F1546-F1603 HydrophobicContact CE1-CD2 3.84Å; F1546-F1603 HydrophobicContact CE1-CE2 4.14Å; F1546-F1603 HydrophobicContact CG-CD2 4.01Å; F1546-F1603 AromaticContact CG-CE2 3.45Å; F1546-F1603 HydrophobicContact CG-CE2 3.45Å; F1546-F1603 VanDerWaalsContact CG-CE2 3.45Å; F1546-F1603 HydrophobicContact CG-CZ 4.22Å; L1549-F1603 HydrophobicContact CB-CD1 3.64Å; L1549-F1603 HydrophobicContact CB-CE1 3.83Å; L1549-F1603 HydrophobicContact CB-CG 4.28Å; L1549-F1603 HydrophobicContact CD1-CB 4.12Å; L1549-F1603 HydrophobicContact CD1-CD1 4.3Å; L1549-F1603 HydrophobicContact CD1-CG 4.11Å; N1550-F1603 HydrophobicContact CB-CE1 4.02Å; N1550-F1603 HydrophobicContact CB-CZ 4.26Å; L1553-F1603 HydrophobicContact CD1-CD1 4.24Å; L1553-F1603 HydrophobicContact CD1-CE1 4.35Å; D1599-F1603 WeakPolarHBondContact O-CD2 3.5Å; D1599-F1603 PolarHBondContact O-N 2.95Å; I1600-F1603 PolarHBondContact O-N 2.94Å; L1601-F1603 VanDerWaalsContact C-N 3.35Å; L1601-F1603 PolarHBondContact O-N 2.93Å; F1603-E1605 VanDerWaalsContact C-N 3.34Å; F1603-E1605 PolarHBondContact O-N 2.67Å; F1603-R1606 PolarHBondContact O-N 3.48Å; F1603-Y1607 HydrophobicContact CD1-CE2 4.49Å; F1603-Y1607 VanDerWaalsContact O-CD2 3.3Å; F1603-Y1607 WeakPolarHBondContact O-CD2 3.35Å; F1603-Y1607 PolarHBondContact O-N 3.21Å |
| 1604 | M | 86 | Confident | 83.3 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 176.6 | -63.5 | -83.2 | 158.1 | 0 | 0 | 110.9 | L1573 I1600 L1601 R1606 Y1607 L1608 V1619 V1623 M1626 | L1573-M1604 HydrophobicContact CD1-CE 3.61Å; L1573-M1604 HydrophobicContact CD1-SD 3.82Å; L1573-M1604 HydrophobicContact CD2-CE 4.37Å; L1573-M1604 HydrophobicContact CD2-SD 3.8Å; L1573-M1604 HydrophobicContact CG-CE 3.63Å; L1573-M1604 HydrophobicContact CG-SD 3.73Å; I1600-M1604 HydrophobicContact CG2-CE 4.25Å; I1600-M1604 HydrophobicContact CG2-CG 4.41Å; I1600-M1604 WeakPolarHBondContact O-CG 3.41Å; I1600-M1604 PolarHBondContact O-N 2.88Å; L1601-M1604 PolarHBondContact O-N 3.41Å; M1604-R1606 PolarHBondContact O-N 2.73Å; M1604-Y1607 PolarHBondContact O-N 2.84Å; M1604-L1608 PolarHBondContact O-N 3.39Å; M1604-L1608 VanDerWaalsContact O-N 3.11Å; M1604-V1619 HydrophobicContact CB-CG1 3.89Å; M1604-V1619 WeakPolarHBondContact O-CG1 3.39Å; M1604-V1619 HydrophobicContact SD-CG1 4.18Å; M1604-V1623 HydrophobicContact CB-CG2 3.75Å; M1604-V1623 HydrophobicContact CG-CG2 3.73Å; M1604-V1623 HydrophobicContact SD-CG2 3.87Å; M1604-M1626 HydrophobicContact CE-CE 3.88Å; M1604-M1626 HydrophobicContact CG-CE 4.46Å; M1604-M1626 HydrophobicContact SD-CE 4.2Å |
| 1605 | E | 84.9 | Confident | 82.8 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.8 | -50 | 173.5 | 179.7 | -170.2 | -125.8 | 0 | 0 | 112.3 | L1601 F1603 Y1607 L1608 H1609 R1649 | L1601-E1605 WeakPolarHBondContact O-CB 3.18Å; L1601-E1605 PolarHBondContact O-N 3.28Å; F1603-E1605 VanDerWaalsContact C-N 3.34Å; F1603-E1605 PolarHBondContact O-N 2.67Å; E1605-Y1607 VanDerWaalsContact C-N 3.31Å; E1605-Y1607 PolarHBondContact O-N 2.74Å; E1605-L1608 PolarHBondContact O-N 3.3Å; E1605-H1609 PolarHBondContact O-N 2.98Å; E1605-H1609 PolarHBondContact O-ND1 2.82Å; E1605-R1649 VanDerWaalsContact CD-NH1 3.3Å; E1605-R1649 IonicContact OE1-CZ 3.62Å; E1605-R1649 IonicContact OE1-NH1 2.71Å; E1605-R1649 PolarHBondContact OE1-NH1 3.12Å; E1605-R1649 IonicContact OE1-NH2 3.68Å; E1605-R1649 IonicContact OE2-CZ 3.37Å; E1605-R1649 IonicContact OE2-NH1 3.26Å; E1605-R1649 PolarHBondContact OE2-NH1 2.74Å; E1605-R1649 IonicContact OE2-NH2 2.68Å; E1605-R1649 PolarHBondContact OE2-NH2 3.17Å |
| 1606 | R | 85.3 | Confident | 82.3 | Confident | 116 Ų | 116 | 46.2 Ų | 46.2 | 44% | 0.438 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 179.7 | -74.2 | 172 | -174.1 | -167.1 | 4.6 | 112.9 | L1553 T1602 F1603 M1604 L1608 H1609 | L1553-R1606 HydrophobicContact CD1-CB 3.99Å; L1553-R1606 HydrophobicContact CD2-CB 4.33Å; T1602-R1606 VanDerWaalsContact O-CG 3.25Å; T1602-R1606 WeakPolarHBondContact O-CG 3.03Å; T1602-R1606 PolarHBondContact O-N 2.72Å; T1602-R1606 VanDerWaalsContact O-N 3.12Å; F1603-R1606 PolarHBondContact O-N 3.48Å; M1604-R1606 PolarHBondContact O-N 2.73Å; R1606-L1608 VanDerWaalsContact C-N 3.35Å; R1606-H1609 PolarHBondContact O-N 3.14Å |
| 1607 | Y | 82.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -31.5 | 177.8 | -90.6 | -104.1 | 0 | 0 | 0 | 113 | L1549 L1552 L1553 R1569 L1573 F1603 M1604 E1605 H1609 L1610 L1615 | L1549-Y1607 WeakPolarHBondContact CA-OH 3.13Å; L1549-Y1607 HydrophobicContact CB-CE2 3.97Å; L1549-Y1607 HydrophobicContact CD2-CE1 4.4Å; L1549-Y1607 HydrophobicContact CD2-CE2 3.92Å; L1549-Y1607 HydrophobicContact CG-CE2 4.49Å; L1549-Y1607 WeakPolarHBondContact O-CE2 3.29Å; L1549-Y1607 PolarHBondContact O-OH 2.78Å; L1552-Y1607 WeakPolarHBondContact CB-OH 3.28Å; L1553-Y1607 HydrophobicContact CD1-CD2 4.04Å; L1553-Y1607 HydrophobicContact CD1-CE2 3.63Å; L1553-Y1607 HydrophobicContact CD2-CD2 3.85Å; L1553-Y1607 HydrophobicContact CD2-CE2 3.81Å; L1553-Y1607 HydrophobicContact CD2-CG 4.36Å; L1553-Y1607 HydrophobicContact CG-CD2 4.02Å; L1553-Y1607 HydrophobicContact CG-CE2 3.49Å; L1553-Y1607 VanDerWaalsContact CG-CE2 3.49Å; R1569-Y1607 HydrophobicContact CB-CD1 4.34Å; R1569-Y1607 HydrophobicContact CB-CE1 3.79Å; R1569-Y1607 HydrophobicContact CG-CE1 3.97Å; L1573-Y1607 HydrophobicContact CD1-CD1 4.5Å; L1573-Y1607 HydrophobicContact CD1-CD2 4.17Å; L1573-Y1607 HydrophobicContact CD1-CG 4.1Å; L1573-Y1607 HydrophobicContact CD2-CG 4.4Å; F1603-Y1607 HydrophobicContact CD1-CE2 4.49Å; F1603-Y1607 VanDerWaalsContact O-CD2 3.3Å; F1603-Y1607 WeakPolarHBondContact O-CD2 3.35Å; F1603-Y1607 PolarHBondContact O-N 3.21Å; M1604-Y1607 PolarHBondContact O-N 2.84Å; E1605-Y1607 VanDerWaalsContact C-N 3.31Å; E1605-Y1607 PolarHBondContact O-N 2.74Å; Y1607-H1609 PolarHBondContact O-N 3.14Å; Y1607-L1610 PolarHBondContact O-N 2.96Å; Y1607-L1615 HydrophobicContact CD1-CD1 4.01Å; Y1607-L1615 HydrophobicContact CD1-CD2 3.86Å |
| 1608 | L | 82 | Confident | 81.4 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.9 | -12.5 | 177 | -169.2 | 51.9 | 0 | 0 | 0 | 113.3 | M1604 E1605 R1606 V1619 P1620 P1653 L1654 | M1604-L1608 PolarHBondContact O-N 3.39Å; M1604-L1608 VanDerWaalsContact O-N 3.11Å; E1605-L1608 PolarHBondContact O-N 3.3Å; R1606-L1608 VanDerWaalsContact C-N 3.35Å; L1608-V1619 HydrophobicContact CB-CG1 4.24Å; L1608-V1619 HydrophobicContact CD1-CB 4.38Å; L1608-V1619 HydrophobicContact CD2-CG1 4.46Å; L1608-P1620 HydrophobicContact CD1-CG 4.44Å; L1608-P1620 HydrophobicContact CD2-CG 4.42Å; L1608-P1653 HydrophobicContact CD2-CB 3.91Å; L1608-P1653 HydrophobicContact CD2-CG 3.82Å; L1608-P1653 HydrophobicContact CG-CB 4.48Å; L1608-P1653 HydrophobicContact CG-CG 4.31Å; L1608-L1654 HydrophobicContact CD2-CD2 3.78Å; L1608-L1654 HydrophobicContact CD2-CG 3.89Å |
| 1609 | H | 80.5 | Confident | 81.1 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 63% | 0.625 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -3.6 | 172.8 | -71.2 | 79.5 | 0 | 0 | 0 | 113.7 | E1605 R1606 Y1607 | E1605-H1609 PolarHBondContact O-N 2.98Å; E1605-H1609 PolarHBondContact O-ND1 2.82Å; R1606-H1609 PolarHBondContact O-N 3.14Å; Y1607-H1609 PolarHBondContact O-N 3.14Å |
| 1610 | L | 74.3 | Confident | 80.8 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80.5 | 128.8 | 166.6 | -63.8 | -178.4 | 0 | 0 | 0 | 109 | L1553 A1556 Y1607 S1612 L1615 | L1553-L1610 HydrophobicContact CD2-CD1 3.97Å; L1553-L1610 HydrophobicContact CD2-CD2 4.4Å; L1553-L1610 HydrophobicContact CD2-CG 4.15Å; A1556-L1610 HydrophobicContact CB-CD2 3.99Å; Y1607-L1610 PolarHBondContact O-N 2.96Å; L1610-S1612 PolarHBondContact O-N 3.2Å; L1610-L1615 HydrophobicContact CB-CD1 4.18Å; L1610-L1615 HydrophobicContact CD1-CD1 4.04Å |
| 1611 | E | 66.8 | Low | 80.6 | Confident | 209 Ų | 209 | 56.9 Ų | 56.9 | 98% | 0.977 | 29% | 0.291 | S | S | * | . | trans | -73.9 | 60.7 | -177.4 | -61.3 | -170.4 | 156.3 | 0 | 0 | 113.1 | ||||
| 1612 | S | 71.6 | Confident | 80.4 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | trans | -119.3 | 129.5 | 180 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | D1566 L1610 D1614 L1615 S1616 | D1566-S1612 VanDerWaalsContact OD2-CB 3.29Å; D1566-S1612 WeakPolarHBondContact OD2-CB 3.29Å; D1566-S1612 PolarHBondContact OD2-OG 3.1Å; L1610-S1612 PolarHBondContact O-N 3.2Å; S1612-D1614 VanDerWaalsContact C-N 3.32Å; S1612-D1614 PolarHBondContact O-N 2.63Å; S1612-L1615 PolarHBondContact O-N 3.21Å; S1612-S1616 PolarHBondContact O-N 2.93Å; S1612-S1616 VanDerWaalsContact O-N 3.16Å | ||
| 1613 | S | 70.6 | Confident | 80.3 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -52.4 | -50.7 | 178.6 | 45.2 | 0 | 0 | 0 | 0 | 111.9 | L1615 S1616 E1617 | S1613-L1615 VanDerWaalsContact C-N 3.32Å; S1613-L1615 PolarHBondContact O-N 3.08Å; S1613-S1616 PolarHBondContact O-N 3.37Å; S1613-S1616 VanDerWaalsContact O-N 3.14Å; S1613-S1616 PolarHBondContact O-OG 3.26Å; S1613-E1617 PolarHBondContact O-N 2.68Å |
| 1614 | D | 75.3 | Confident | 80.2 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.5 | -30.2 | -167.3 | -57.5 | 13.9 | 0 | 0 | 0 | 111.1 | V1570 S1612 S1618 | V1570-D1614 HydrophobicContact CG2-CB 3.88Å; S1612-D1614 VanDerWaalsContact C-N 3.32Å; S1612-D1614 PolarHBondContact O-N 2.63Å; D1614-S1618 WeakPolarHBondContact O-CB 2.95Å; D1614-S1618 PolarHBondContact O-N 3.49Å; D1614-S1618 PolarHBondContact O-OG 3.37Å |
| 1615 | L | 78.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.6 | -39.1 | 172.3 | -74.4 | 172.8 | 0 | 0 | 0 | 111.9 | R1569 V1570 L1573 Y1607 L1610 S1612 S1613 E1617 S1618 V1619 | R1569-L1615 HydrophobicContact CB-CD1 4.25Å; R1569-L1615 HydrophobicContact CB-CD2 4.28Å; V1570-L1615 HydrophobicContact CG2-CD2 3.68Å; V1570-L1615 HydrophobicContact CG2-CG 3.97Å; L1573-L1615 HydrophobicContact CD2-CD2 4.43Å; Y1607-L1615 HydrophobicContact CD1-CD1 4.01Å; Y1607-L1615 HydrophobicContact CD1-CD2 3.86Å; L1610-L1615 HydrophobicContact CB-CD1 4.18Å; L1610-L1615 HydrophobicContact CD1-CD1 4.04Å; S1612-L1615 PolarHBondContact O-N 3.21Å; S1613-L1615 VanDerWaalsContact C-N 3.32Å; S1613-L1615 PolarHBondContact O-N 3.08Å; L1615-E1617 VanDerWaalsContact C-N 3.27Å; L1615-E1617 PolarHBondContact O-N 2.84Å; L1615-S1618 PolarHBondContact O-N 3Å; L1615-V1619 HydrophobicContact CB-CG2 4.3Å; L1615-V1619 HydrophobicContact CD2-CG2 4.25Å; L1615-V1619 WeakPolarHBondContact O-CB 3.22Å; L1615-V1619 WeakPolarHBondContact O-CG2 3.38Å; L1615-V1619 PolarHBondContact O-N 2.89Å |
| 1616 | S | 78 | Confident | 80.3 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -33.3 | -177.4 | 75.9 | 0 | 0 | 0 | 0 | 113.7 | S1612 S1613 P1620 | S1612-S1616 PolarHBondContact O-N 2.93Å; S1612-S1616 VanDerWaalsContact O-N 3.16Å; S1613-S1616 PolarHBondContact O-N 3.37Å; S1613-S1616 VanDerWaalsContact O-N 3.14Å; S1613-S1616 PolarHBondContact O-OG 3.26Å; S1616-P1620 WeakPolarHBondContact O-CD 3.38Å; S1616-P1620 WeakPolarHBondContact O-CG 3.27Å |
| 1617 | E | 80.8 | Confident | 80.4 | Confident | 159 Ų | 159 | 54 Ų | 54 | 74% | 0.743 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -86.8 | -39 | 172.3 | -64.3 | -168.5 | 161.5 | 0 | 0 | 112.9 | S1613 L1615 P1620 | S1613-E1617 PolarHBondContact O-N 2.68Å; L1615-E1617 VanDerWaalsContact C-N 3.27Å; L1615-E1617 PolarHBondContact O-N 2.84Å; E1617-P1620 WeakPolarHBondContact O-CD 3.41Å |
| 1618 | S | 81.3 | Confident | 80.4 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74 | -33.2 | -173.3 | -60.7 | 0 | 0 | 0 | 0 | 114 | V1570 D1614 L1615 S1622 | V1570-S1618 WeakPolarHBondContact CG1-OG 3.47Å; D1614-S1618 WeakPolarHBondContact O-CB 2.95Å; D1614-S1618 PolarHBondContact O-N 3.49Å; D1614-S1618 PolarHBondContact O-OG 3.37Å; L1615-S1618 PolarHBondContact O-N 3Å; S1618-S1622 VanDerWaalsContact O-CB 3.29Å; S1618-S1622 WeakPolarHBondContact O-CB 3.35Å; S1618-S1622 PolarHBondContact O-N 3.15Å; S1618-S1622 VanDerWaalsContact O-N 3.12Å; S1618-S1622 PolarHBondContact O-OG 2.98Å |
| 1619 | V | 83.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -54 | -178 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | L1573 M1604 L1608 L1615 E1621 S1622 V1623 | L1573-V1619 HydrophobicContact CD2-CB 4.24Å; L1573-V1619 HydrophobicContact CD2-CG1 4.36Å; L1573-V1619 HydrophobicContact CD2-CG2 3.44Å; L1573-V1619 VanDerWaalsContact CD2-CG2 3.44Å; M1604-V1619 HydrophobicContact CB-CG1 3.89Å; M1604-V1619 WeakPolarHBondContact O-CG1 3.39Å; M1604-V1619 HydrophobicContact SD-CG1 4.18Å; L1608-V1619 HydrophobicContact CB-CG1 4.24Å; L1608-V1619 HydrophobicContact CD1-CB 4.38Å; L1608-V1619 HydrophobicContact CD2-CG1 4.46Å; L1615-V1619 HydrophobicContact CB-CG2 4.3Å; L1615-V1619 HydrophobicContact CD2-CG2 4.25Å; L1615-V1619 WeakPolarHBondContact O-CB 3.22Å; L1615-V1619 WeakPolarHBondContact O-CG2 3.38Å; L1615-V1619 PolarHBondContact O-N 2.89Å; V1619-E1621 PolarHBondContact O-N 3.2Å; V1619-S1622 WeakPolarHBondContact O-CB 3.35Å; V1619-S1622 PolarHBondContact O-N 2.93Å; V1619-S1622 VanDerWaalsContact O-N 3.17Å; V1619-V1623 HydrophobicContact CG1-CG2 4.45Å; V1619-V1623 WeakPolarHBondContact O-CG2 3.44Å; V1619-V1623 PolarHBondContact O-N 3.02Å |
| 1620 | P | 83.7 | Confident | 80.9 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 20% | 0.195 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | -175 | -20.5 | 35.4 | 0 | 0 | 0 | 112.2 | L1608 S1616 E1617 S1622 V1623 K1624 L1654 L1657 | L1608-P1620 HydrophobicContact CD1-CG 4.44Å; L1608-P1620 HydrophobicContact CD2-CG 4.42Å; S1616-P1620 WeakPolarHBondContact O-CD 3.38Å; S1616-P1620 WeakPolarHBondContact O-CG 3.27Å; E1617-P1620 WeakPolarHBondContact O-CD 3.41Å; P1620-S1622 VanDerWaalsContact C-N 3.32Å; P1620-S1622 PolarHBondContact O-N 2.95Å; P1620-V1623 PolarHBondContact O-N 3.42Å; P1620-K1624 WeakPolarHBondContact O-CB 3.32Å; P1620-K1624 PolarHBondContact O-N 2.9Å; P1620-L1654 HydrophobicContact CB-CD2 4.1Å; P1620-L1654 HydrophobicContact CG-CD2 4.25Å; P1620-L1657 HydrophobicContact CB-CD1 4.33Å; P1620-L1657 WeakPolarHBondContact O-CD1 3.34Å |
| 1621 | E | 83.5 | Confident | 81.3 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 176.2 | -168.8 | 60 | -145.4 | 0 | 0 | 111.4 | V1619 K1624 N1625 | V1619-E1621 PolarHBondContact O-N 3.2Å; E1621-K1624 IonicContact OE1-NZ 2.71Å; E1621-K1624 PolarHBondContact OE1-NZ 2.97Å; E1621-K1624 WeakPolarHBondContact OE2-CD 3.25Å; E1621-K1624 IonicContact OE2-NZ 2.66Å; E1621-K1624 PolarHBondContact OE2-NZ 3.32Å; E1621-N1625 WeakPolarHBondContact O-CB 3.38Å; E1621-N1625 PolarHBondContact O-N 3.49Å; E1621-N1625 PolarHBondContact O-ND2 2.91Å; E1621-N1625 PolarHBondContact OE1-ND2 2.87Å |
| 1622 | S | 84.2 | Confident | 82.2 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 172.4 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | S1618 V1619 P1620 N1625 M1626 | S1618-S1622 VanDerWaalsContact O-CB 3.29Å; S1618-S1622 WeakPolarHBondContact O-CB 3.35Å; S1618-S1622 PolarHBondContact O-N 3.15Å; S1618-S1622 VanDerWaalsContact O-N 3.12Å; S1618-S1622 PolarHBondContact O-OG 2.98Å; V1619-S1622 WeakPolarHBondContact O-CB 3.35Å; V1619-S1622 PolarHBondContact O-N 2.93Å; V1619-S1622 VanDerWaalsContact O-N 3.17Å; P1620-S1622 VanDerWaalsContact C-N 3.32Å; P1620-S1622 PolarHBondContact O-N 2.95Å; S1622-N1625 PolarHBondContact O-N 3.46Å; S1622-M1626 WeakPolarHBondContact O-CG 3.31Å; S1622-M1626 PolarHBondContact O-N 3.39Å; S1622-M1626 VanDerWaalsContact O-N 3.1Å |
| 1623 | V | 86.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 177.3 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L1601 M1604 V1619 P1620 N1625 M1626 L1627 L1650 L1654 L1657 | L1601-V1623 HydrophobicContact CD2-CG1 3.96Å; M1604-V1623 HydrophobicContact CB-CG2 3.75Å; M1604-V1623 HydrophobicContact CG-CG2 3.73Å; M1604-V1623 HydrophobicContact SD-CG2 3.87Å; V1619-V1623 HydrophobicContact CG1-CG2 4.45Å; V1619-V1623 WeakPolarHBondContact O-CG2 3.44Å; V1619-V1623 PolarHBondContact O-N 3.02Å; P1620-V1623 PolarHBondContact O-N 3.42Å; V1623-N1625 PolarHBondContact O-N 3.27Å; V1623-M1626 HydrophobicContact CG2-CE 4.24Å; V1623-M1626 WeakPolarHBondContact O-CA 3.26Å; V1623-M1626 WeakPolarHBondContact O-CB 3.49Å; V1623-M1626 PolarHBondContact O-N 3.4Å; V1623-L1627 HydrophobicContact CG1-CD1 4Å; V1623-L1627 HydrophobicContact CG1-CG 4.29Å; V1623-L1627 WeakPolarHBondContact O-CG 3.38Å; V1623-L1627 PolarHBondContact O-N 3.41Å; V1623-L1650 HydrophobicContact CG1-CD2 4.1Å; V1623-L1654 HydrophobicContact CG2-CD2 4.46Å; V1623-L1657 HydrophobicContact CB-CD1 3.86Å; V1623-L1657 HydrophobicContact CG1-CD1 3.74Å |
| 1624 | K | 84.4 | Confident | 83.3 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.8 | -48.2 | 175.5 | 176.2 | -179.5 | 159.2 | -131.7 | 0 | 112.6 | P1620 E1621 M1626 L1627 L1628 L1657 | P1620-K1624 WeakPolarHBondContact O-CB 3.32Å; P1620-K1624 PolarHBondContact O-N 2.9Å; E1621-K1624 IonicContact OE1-NZ 2.71Å; E1621-K1624 PolarHBondContact OE1-NZ 2.97Å; E1621-K1624 WeakPolarHBondContact OE2-CD 3.25Å; E1621-K1624 IonicContact OE2-NZ 2.66Å; E1621-K1624 PolarHBondContact OE2-NZ 3.32Å; K1624-M1626 VanDerWaalsContact C-N 3.27Å; K1624-M1626 PolarHBondContact O-N 3.32Å; K1624-L1627 PolarHBondContact O-N 2.95Å; K1624-L1628 HydrophobicContact CG-CD1 4.08Å; K1624-L1628 VanDerWaalsContact O-CG 3.32Å; K1624-L1628 WeakPolarHBondContact O-CG 3.32Å; K1624-L1628 PolarHBondContact O-N 3.49Å; K1624-L1657 HydrophobicContact CB-CD1 4.22Å; K1624-L1657 HydrophobicContact CB-CD2 3.82Å; K1624-L1657 HydrophobicContact CD-CD2 4.22Å; K1624-L1657 HydrophobicContact CG-CD2 4.19Å |
| 1625 | N | 84.6 | Confident | 83.7 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -30.7 | 177.2 | -78.4 | -69.7 | 0 | 0 | 0 | 112.1 | E1621 S1622 V1623 V1629 | E1621-N1625 WeakPolarHBondContact O-CB 3.38Å; E1621-N1625 PolarHBondContact O-N 3.49Å; E1621-N1625 PolarHBondContact O-ND2 2.91Å; E1621-N1625 PolarHBondContact OE1-ND2 2.87Å; S1622-N1625 PolarHBondContact O-N 3.46Å; V1623-N1625 PolarHBondContact O-N 3.27Å; N1625-V1629 WeakPolarHBondContact O-CG2 3.49Å; N1625-V1629 PolarHBondContact O-N 3.15Å |
| 1626 | M | 88.7 | Confident | 84 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.8 | -47.6 | 172.8 | -69.9 | -177.4 | -61.7 | 0 | 0 | 112.7 | G1577 F1580 L1581 W1597 I1600 M1604 S1622 V1623 K1624 L1628 V1629 M1630 | G1577-M1626 VanDerWaalsContact CA-SD 3.55Å; F1580-M1626 HydrophobicContact CD1-CG 4.43Å; F1580-M1626 HydrophobicContact CD1-SD 3.98Å; L1581-M1626 HydrophobicContact CD1-CG 3.87Å; L1581-M1626 HydrophobicContact CD2-CB 4.38Å; L1581-M1626 HydrophobicContact CD2-CG 4.16Å; L1581-M1626 HydrophobicContact CG-CG 3.9Å; W1597-M1626 HydrophobicContact CH2-CB 3.83Å; W1597-M1626 HydrophobicContact CH2-CE 4.3Å; W1597-M1626 HydrophobicContact CZ3-CB 3.98Å; W1597-M1626 HydrophobicContact CZ3-CE 4.09Å; W1597-M1626 HydrophobicContact CZ3-SD 4.02Å; I1600-M1626 HydrophobicContact CG2-CE 4.15Å; I1600-M1626 HydrophobicContact CG2-SD 4.31Å; M1604-M1626 HydrophobicContact CE-CE 3.88Å; M1604-M1626 HydrophobicContact CG-CE 4.46Å; M1604-M1626 HydrophobicContact SD-CE 4.2Å; S1622-M1626 WeakPolarHBondContact O-CG 3.31Å; S1622-M1626 PolarHBondContact O-N 3.39Å; S1622-M1626 VanDerWaalsContact O-N 3.1Å; V1623-M1626 HydrophobicContact CG2-CE 4.24Å; V1623-M1626 WeakPolarHBondContact O-CA 3.26Å; V1623-M1626 WeakPolarHBondContact O-CB 3.49Å; V1623-M1626 PolarHBondContact O-N 3.4Å; K1624-M1626 VanDerWaalsContact C-N 3.27Å; K1624-M1626 PolarHBondContact O-N 3.32Å; M1626-L1628 PolarHBondContact O-N 3.04Å; M1626-V1629 PolarHBondContact O-N 2.92Å; M1626-M1630 VanDerWaalsContact O-CG 3.32Å; M1626-M1630 WeakPolarHBondContact O-CG 3.03Å; M1626-M1630 PolarHBondContact O-N 2.61Å |
| 1627 | L | 86.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 177.6 | -68.3 | 171.1 | 0 | 0 | 0 | 112 | W1597 V1623 K1624 V1629 M1630 D1631 F1636 T1646 L1650 L1657 I1661 | W1597-L1627 HydrophobicContact CH2-CD2 4.39Å; W1597-L1627 HydrophobicContact CZ2-CD2 3.74Å; V1623-L1627 HydrophobicContact CG1-CD1 4Å; V1623-L1627 HydrophobicContact CG1-CG 4.29Å; V1623-L1627 WeakPolarHBondContact O-CG 3.38Å; V1623-L1627 PolarHBondContact O-N 3.41Å; K1624-L1627 PolarHBondContact O-N 2.95Å; L1627-V1629 VanDerWaalsContact C-N 3.33Å; L1627-V1629 PolarHBondContact O-N 2.89Å; L1627-M1630 PolarHBondContact O-N 2.85Å; L1627-D1631 PolarHBondContact O-N 3.2Å; L1627-F1636 HydrophobicContact CD2-CZ 3.87Å; L1627-T1646 HydrophobicContact CD2-CG2 3.71Å; L1627-L1650 HydrophobicContact CD1-CD1 3.78Å; L1627-L1650 HydrophobicContact CD1-CD2 4.3Å; L1627-L1650 HydrophobicContact CD2-CD1 4.2Å; L1627-L1657 HydrophobicContact CD1-CB 3.85Å; L1627-I1661 HydrophobicContact CD2-CD1 4.17Å; L1627-I1661 HydrophobicContact CD2-CG1 4.38Å |
| 1628 | L | 84.5 | Confident | 84 | Confident | 67 Ų | 67 | 42.5 Ų | 42.5 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -40.4 | -179.6 | -72.4 | 168.7 | 0 | 0 | 0 | 112.6 | K1624 M1626 T1632 | K1624-L1628 HydrophobicContact CG-CD1 4.08Å; K1624-L1628 VanDerWaalsContact O-CG 3.32Å; K1624-L1628 WeakPolarHBondContact O-CG 3.32Å; K1624-L1628 PolarHBondContact O-N 3.49Å; M1626-L1628 PolarHBondContact O-N 3.04Å; L1628-T1632 WeakPolarHBondContact O-CB 3.14Å; L1628-T1632 PolarHBondContact O-N 2.92Å; L1628-T1632 PolarHBondContact O-OG1 2.71Å |
| 1629 | V | 84.4 | Confident | 83.9 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 38% | 0.382 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.9 | -35 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | L1581 L1584 N1625 M1626 L1627 T1632 A1633 | L1581-V1629 HydrophobicContact CD1-CG2 4.41Å; L1581-V1629 HydrophobicContact CD2-CB 3.78Å; L1581-V1629 HydrophobicContact CD2-CG1 3.8Å; L1581-V1629 HydrophobicContact CD2-CG2 4.46Å; L1584-V1629 HydrophobicContact CD2-CG1 3.97Å; N1625-V1629 WeakPolarHBondContact O-CG2 3.49Å; N1625-V1629 PolarHBondContact O-N 3.15Å; M1626-V1629 PolarHBondContact O-N 2.92Å; L1627-V1629 VanDerWaalsContact C-N 3.33Å; L1627-V1629 PolarHBondContact O-N 2.89Å; V1629-T1632 PolarHBondContact O-N 3.37Å; V1629-A1633 WeakPolarHBondContact O-CB 3.21Å; V1629-A1633 PolarHBondContact O-N 3.38Å |
| 1630 | M | 87.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 174.7 | -72 | 174.5 | 66.2 | 0 | 0 | 112.9 | F1580 L1584 F1593 W1597 M1626 L1627 A1633 D1634 L1635 F1636 L1642 | F1580-M1630 HydrophobicContact CE1-CG 4.43Å; F1580-M1630 HydrophobicContact CE1-SD 3.75Å; F1580-M1630 HydrophobicContact CZ-SD 4.08Å; L1584-M1630 HydrophobicContact CD1-CG 4.08Å; L1584-M1630 HydrophobicContact CD2-CG 4.03Å; F1593-M1630 HydrophobicContact CE1-CE 4.36Å; F1593-M1630 HydrophobicContact CZ-CE 4.19Å; W1597-M1630 HydrophobicContact CD2-CE 3.84Å; W1597-M1630 HydrophobicContact CD2-SD 3.86Å; W1597-M1630 HydrophobicContact CE3-CE 4.41Å; W1597-M1630 HydrophobicContact CE3-SD 3.88Å; W1597-M1630 HydrophobicContact CG-CE 4.02Å; W1597-M1630 HydrophobicContact CH2-SD 3.81Å; W1597-M1630 HydrophobicContact CZ2-CE 4.31Å; W1597-M1630 HydrophobicContact CZ2-SD 3.77Å; W1597-M1630 HydrophobicContact CZ3-SD 3.86Å; M1626-M1630 VanDerWaalsContact O-CG 3.32Å; M1626-M1630 WeakPolarHBondContact O-CG 3.03Å; M1626-M1630 PolarHBondContact O-N 2.61Å; L1627-M1630 PolarHBondContact O-N 2.85Å; M1630-A1633 PolarHBondContact O-N 3.45Å; M1630-D1634 PolarHBondContact O-N 3.4Å; M1630-L1635 HydrophobicContact CG-CD1 4.43Å; M1630-L1635 PolarHBondContact O-N 3.16Å; M1630-F1636 HydrophobicContact CB-CD2 4.41Å; M1630-F1636 HydrophobicContact CB-CE2 3.63Å; M1630-F1636 HydrophobicContact CB-CZ 3.78Å; M1630-F1636 HydrophobicContact CE-CE1 3.96Å; M1630-F1636 HydrophobicContact CE-CZ 3.93Å; M1630-F1636 HydrophobicContact SD-CZ 4.35Å; M1630-L1642 HydrophobicContact CE-CD1 4.33Å; M1630-L1642 HydrophobicContact CE-CD2 3.84Å; M1630-L1642 HydrophobicContact CE-CG 4.41Å |
| 1631 | D | 83.8 | Confident | 83.6 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 173.9 | -161.9 | 48.2 | 0 | 0 | 0 | 111.2 | L1627 A1633 D1634 F1636 G1662 | L1627-D1631 PolarHBondContact O-N 3.2Å; D1631-A1633 PolarHBondContact O-N 3.41Å; D1631-D1634 PolarHBondContact O-N 3.42Å; D1631-F1636 HydrophobicContact CB-CD2 3.93Å; D1631-F1636 HydrophobicContact CB-CE2 4.05Å; D1631-G1662 WeakPolarHBondContact OD2-CA 3.3Å; D1631-G1662 PolarHBondContact OD2-N 2.57Å |
| 1632 | T | 84.1 | Confident | 83.6 | Confident | 123 Ų | 123 | 44.8 Ų | 44.8 | 76% | 0.755 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.1 | -20.9 | 173.7 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | L1628 V1629 | L1628-T1632 WeakPolarHBondContact O-CB 3.14Å; L1628-T1632 PolarHBondContact O-N 2.92Å; L1628-T1632 PolarHBondContact O-OG1 2.71Å; V1629-T1632 PolarHBondContact O-N 3.37Å |
| 1633 | A | 83.1 | Confident | 83.5 | Confident | 30 Ų | 30 | 46 Ų | 46 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 12.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1584 M1585 V1629 M1630 D1631 L1635 | L1584-A1633 HydrophobicContact CD2-CB 4.4Å; M1585-A1633 HydrophobicContact SD-CB 4.19Å; V1629-A1633 WeakPolarHBondContact O-CB 3.21Å; V1629-A1633 PolarHBondContact O-N 3.38Å; M1630-A1633 PolarHBondContact O-N 3.45Å; D1631-A1633 PolarHBondContact O-N 3.41Å; A1633-L1635 HydrophobicContact CB-CD1 4.36Å; A1633-L1635 HydrophobicContact CB-CG 3.99Å; A1633-L1635 PolarHBondContact O-N 3.41Å |
| 1634 | D | 83.3 | Confident | 83.3 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 13.1 | -178.5 | -85.4 | -50.2 | 0 | 0 | 0 | 115.4 | M1630 D1631 F1636 Y1637 S1638 | M1630-D1634 PolarHBondContact O-N 3.4Å; D1631-D1634 PolarHBondContact O-N 3.42Å; D1634-F1636 VanDerWaalsContact C-N 3.33Å; D1634-F1636 PolarHBondContact O-N 3.33Å; D1634-Y1637 CarbonylContact O-C 3.57Å; D1634-Y1637 WeakPolarHBondContact O-CA 3.45Å; D1634-Y1637 WeakPolarHBondContact O-CB 3.28Å; D1634-Y1637 PolarHBondContact O-N 3.01Å; D1634-S1638 PolarHBondContact O-N 3.28Å |
| 1635 | L | 83.7 | Confident | 83.3 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -31.6 | -168.9 | -65 | -176.6 | 0 | 0 | 0 | 113.6 | L1584 F1593 M1630 A1633 Y1637 S1638 V1639 L1642 | L1584-L1635 HydrophobicContact CD1-CD1 3.68Å; L1584-L1635 HydrophobicContact CD2-CD1 3.91Å; L1584-L1635 HydrophobicContact CG-CD1 3.68Å; F1593-L1635 HydrophobicContact CE1-CD1 4.22Å; F1593-L1635 HydrophobicContact CZ-CD1 3.96Å; M1630-L1635 HydrophobicContact CG-CD1 4.43Å; M1630-L1635 PolarHBondContact O-N 3.16Å; A1633-L1635 HydrophobicContact CB-CD1 4.36Å; A1633-L1635 HydrophobicContact CB-CG 3.99Å; A1633-L1635 PolarHBondContact O-N 3.41Å; L1635-Y1637 PolarHBondContact O-N 3.46Å; L1635-S1638 PolarHBondContact O-N 2.95Å; L1635-V1639 HydrophobicContact CD2-CG2 4.39Å; L1635-V1639 WeakPolarHBondContact O-CB 3.02Å; L1635-V1639 PolarHBondContact O-N 3.45Å; L1635-L1642 HydrophobicContact CB-CD2 4.02Å; L1635-L1642 WeakPolarHBondContact O-CD2 3.32Å |
| 1636 | F | 83.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -18.1 | 173.6 | -64.3 | -59.2 | 0 | 0 | 0 | 113.3 | L1627 M1630 D1631 D1634 L1642 L1643 T1646 I1661 | L1627-F1636 HydrophobicContact CD2-CZ 3.87Å; M1630-F1636 HydrophobicContact CB-CD2 4.41Å; M1630-F1636 HydrophobicContact CB-CE2 3.63Å; M1630-F1636 HydrophobicContact CB-CZ 3.78Å; M1630-F1636 HydrophobicContact CE-CE1 3.96Å; M1630-F1636 HydrophobicContact CE-CZ 3.93Å; M1630-F1636 HydrophobicContact SD-CZ 4.35Å; D1631-F1636 HydrophobicContact CB-CD2 3.93Å; D1631-F1636 HydrophobicContact CB-CE2 4.05Å; D1634-F1636 VanDerWaalsContact C-N 3.33Å; D1634-F1636 PolarHBondContact O-N 3.33Å; F1636-L1642 HydrophobicContact CD1-CD2 3.91Å; F1636-L1642 HydrophobicContact CD1-CG 3.93Å; F1636-L1642 HydrophobicContact CE1-CD2 4.17Å; F1636-L1642 HydrophobicContact CE1-CG 4.12Å; F1636-L1643 HydrophobicContact CB-CB 4.21Å; F1636-L1643 HydrophobicContact CB-CD1 4.29Å; F1636-L1643 HydrophobicContact CD1-CB 4.35Å; F1636-L1643 HydrophobicContact CD1-CD1 4.33Å; F1636-L1643 HydrophobicContact CG-CD1 4.35Å; F1636-T1646 HydrophobicContact CE1-CG2 4.12Å; F1636-T1646 HydrophobicContact CZ-CG2 4.48Å; F1636-I1661 HydrophobicContact CB-CG2 4.48Å; F1636-I1661 HydrophobicContact CD2-CG1 4.46Å; F1636-I1661 HydrophobicContact CD2-CG2 3.65Å; F1636-I1661 HydrophobicContact CE1-CD1 4.3Å; F1636-I1661 HydrophobicContact CE2-CD1 4.19Å; F1636-I1661 HydrophobicContact CE2-CG1 4.05Å; F1636-I1661 HydrophobicContact CE2-CG2 4.09Å; F1636-I1661 HydrophobicContact CG-CG2 4.1Å; F1636-I1661 HydrophobicContact CZ-CD1 4.06Å; F1636-I1661 HydrophobicContact CZ-CG1 4.35Å |
| 1637 | Y | 80.6 | Confident | 82.9 | Confident | 75 Ų | 75 | 53.9 Ų | 53.9 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -102.7 | -29.8 | 176.5 | -57.9 | -71.3 | 0 | 0 | 0 | 113.2 | D1634 L1635 G1662 R1664 | D1634-Y1637 CarbonylContact O-C 3.57Å; D1634-Y1637 WeakPolarHBondContact O-CA 3.45Å; D1634-Y1637 WeakPolarHBondContact O-CB 3.28Å; D1634-Y1637 PolarHBondContact O-N 3.01Å; L1635-Y1637 PolarHBondContact O-N 3.46Å; Y1637-G1662 PolarHBondContact OH-O 2.92Å; Y1637-R1664 HydrophobicContact CE1-CB 4.14Å; Y1637-R1664 HydrophobicContact CE1-CG 4.08Å |
| 1638 | S | 79 | Confident | 82.7 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -88.9 | -24.5 | -178.5 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | D1634 L1635 | D1634-S1638 PolarHBondContact O-N 3.28Å; L1635-S1638 PolarHBondContact O-N 2.95Å |
| 1639 | V | 80 | Confident | 82.3 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -105.2 | 114.3 | -178.5 | -174 | 0 | 0 | 0 | 0 | 110.8 | F1593 V1594 L1635 L1642 | F1593-V1639 HydrophobicContact CD1-CG1 4.33Å; F1593-V1639 HydrophobicContact CD1-CG2 4.3Å; F1593-V1639 HydrophobicContact CE1-CG2 4.45Å; V1594-V1639 HydrophobicContact CG2-CG1 3.54Å; L1635-V1639 HydrophobicContact CD2-CG2 4.39Å; L1635-V1639 WeakPolarHBondContact O-CB 3.02Å; L1635-V1639 PolarHBondContact O-N 3.45Å; V1639-L1642 HydrophobicContact CB-CB 3.96Å; V1639-L1642 HydrophobicContact CB-CD2 4.01Å; V1639-L1642 HydrophobicContact CG1-CB 4.06Å; V1639-L1642 HydrophobicContact CG2-CD2 4.35Å; V1639-L1642 WeakPolarHBondContact O-CB 2.9Å; V1639-L1642 PolarHBondContact O-N 3.35Å |
| 1640 | P | 78.2 | Confident | 82 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 68% | 0.682 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 140.9 | 179.5 | -26.9 | 35.5 | 0 | 0 | 0 | 113.6 | L1642 | P1640-L1642 PolarHBondContact O-N 2.9Š|
| 1641 | T | 81.2 | Confident | 81.1 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -3.7 | -179 | 73.4 | 0 | 0 | 0 | 0 | 116.9 | R1645 | T1641-R1645 WeakPolarHBondContact O-CB 3.46Å; T1641-R1645 WeakPolarHBondContact O-CG 3.16Å; T1641-R1645 PolarHBondContact O-N 2.85Å; T1641-R1645 VanDerWaalsContact O-N 3.07Å |
| 1642 | L | 84.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | -176.8 | -175.2 | 71.2 | 0 | 0 | 0 | 112.4 | F1593 V1594 W1597 M1630 L1635 F1636 V1639 P1640 T1646 | F1593-L1642 HydrophobicContact CD1-CD1 4.41Å; F1593-L1642 HydrophobicContact CE1-CD1 4.17Å; F1593-L1642 HydrophobicContact CE1-CD2 3.9Å; V1594-L1642 HydrophobicContact CB-CD1 4.43Å; V1594-L1642 HydrophobicContact CG1-CD1 4.25Å; V1594-L1642 HydrophobicContact CG2-CB 4.48Å; V1594-L1642 HydrophobicContact CG2-CD1 4.17Å; W1597-L1642 HydrophobicContact CB-CD1 4.43Å; W1597-L1642 HydrophobicContact CG-CD1 4.25Å; M1630-L1642 HydrophobicContact CE-CD1 4.33Å; M1630-L1642 HydrophobicContact CE-CD2 3.84Å; M1630-L1642 HydrophobicContact CE-CG 4.41Å; L1635-L1642 HydrophobicContact CB-CD2 4.02Å; L1635-L1642 WeakPolarHBondContact O-CD2 3.32Å; F1636-L1642 HydrophobicContact CD1-CD2 3.91Å; F1636-L1642 HydrophobicContact CD1-CG 3.93Å; F1636-L1642 HydrophobicContact CE1-CD2 4.17Å; F1636-L1642 HydrophobicContact CE1-CG 4.12Å; V1639-L1642 HydrophobicContact CB-CB 3.96Å; V1639-L1642 HydrophobicContact CB-CD2 4.01Å; V1639-L1642 HydrophobicContact CG1-CB 4.06Å; V1639-L1642 HydrophobicContact CG2-CD2 4.35Å; V1639-L1642 WeakPolarHBondContact O-CB 2.9Å; V1639-L1642 PolarHBondContact O-N 3.35Å; P1640-L1642 PolarHBondContact O-N 2.9Å; L1642-T1646 VanDerWaalsContact O-CB 3.31Å; L1642-T1646 WeakPolarHBondContact O-CB 3.06Å; L1642-T1646 PolarHBondContact O-N 3.09Å; L1642-T1646 PolarHBondContact O-OG1 3.42Å |
| 1643 | L | 82.4 | Confident | 79.6 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -58.1 | 178.2 | 179 | 59.5 | 0 | 0 | 0 | 111.2 | F1636 R1645 T1646 E1647 I1661 | F1636-L1643 HydrophobicContact CB-CB 4.21Å; F1636-L1643 HydrophobicContact CB-CD1 4.29Å; F1636-L1643 HydrophobicContact CD1-CB 4.35Å; F1636-L1643 HydrophobicContact CD1-CD1 4.33Å; F1636-L1643 HydrophobicContact CG-CD1 4.35Å; L1643-R1645 VanDerWaalsContact C-N 3.34Å; L1643-R1645 PolarHBondContact O-N 3.38Å; L1643-T1646 WeakPolarHBondContact O-CA 3.31Å; L1643-T1646 WeakPolarHBondContact O-CB 3.45Å; L1643-T1646 PolarHBondContact O-N 3.09Å; L1643-E1647 HydrophobicContact CD1-CG 4.15Å; L1643-E1647 PolarHBondContact O-N 3.39Å; L1643-I1661 HydrophobicContact CD1-CD1 4Å; L1643-I1661 HydrophobicContact CD1-CG2 3.83Å |
| 1644 | E | 82.9 | Confident | 79 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.2 | -47.2 | -177.9 | -174.9 | -168.8 | 168 | 0 | 0 | 112.2 | T1646 E1647 Q1648 | E1644-T1646 VanDerWaalsContact C-N 3.32Å; E1644-T1646 PolarHBondContact O-N 3.35Å; E1644-E1647 PolarHBondContact O-N 3.45Å; E1644-Q1648 WeakPolarHBondContact O-CB 3.37Å; E1644-Q1648 VanDerWaalsContact O-CG 3.23Å; E1644-Q1648 WeakPolarHBondContact O-CG 3.47Å; E1644-Q1648 PolarHBondContact O-N 3Å; E1644-Q1648 PolarHBondContact OE1-NE2 3.41Å; E1644-Q1648 VanDerWaalsContact OE1-NE2 3.1Å |
| 1645 | R | 84.1 | Confident | 78.5 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.5 | -31.3 | 177.3 | -73.3 | -175.7 | 175.9 | -166.7 | 3.2 | 113.1 | N1595 M1598 T1641 L1643 R1649 | N1595-R1645 PolarHBondContact OD1-NH1 2.97Å; M1598-R1645 HydrophobicContact CE-CB 3.84Å; M1598-R1645 HydrophobicContact SD-CB 3.87Å; T1641-R1645 WeakPolarHBondContact O-CB 3.46Å; T1641-R1645 WeakPolarHBondContact O-CG 3.16Å; T1641-R1645 PolarHBondContact O-N 2.85Å; T1641-R1645 VanDerWaalsContact O-N 3.07Å; L1643-R1645 VanDerWaalsContact C-N 3.34Å; L1643-R1645 PolarHBondContact O-N 3.38Å; R1645-R1649 WeakPolarHBondContact O-CB 3.32Å; R1645-R1649 PolarHBondContact O-N 2.95Å |
| 1646 | T | 83.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.7 | -45.7 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | W1597 L1601 L1627 F1636 L1642 L1643 E1644 Q1648 R1649 L1650 I1661 | W1597-T1646 HydrophobicContact CZ2-CG2 4.39Å; W1597-T1646 PolarHBondContact NE1-OG1 2.79Å; L1601-T1646 HydrophobicContact CD1-CG2 4.28Å; L1627-T1646 HydrophobicContact CD2-CG2 3.71Å; F1636-T1646 HydrophobicContact CE1-CG2 4.12Å; F1636-T1646 HydrophobicContact CZ-CG2 4.48Å; L1642-T1646 VanDerWaalsContact O-CB 3.31Å; L1642-T1646 WeakPolarHBondContact O-CB 3.06Å; L1642-T1646 PolarHBondContact O-N 3.09Å; L1642-T1646 PolarHBondContact O-OG1 3.42Å; L1643-T1646 WeakPolarHBondContact O-CA 3.31Å; L1643-T1646 WeakPolarHBondContact O-CB 3.45Å; L1643-T1646 PolarHBondContact O-N 3.09Å; E1644-T1646 VanDerWaalsContact C-N 3.32Å; E1644-T1646 PolarHBondContact O-N 3.35Å; T1646-Q1648 PolarHBondContact O-N 2.97Å; T1646-R1649 PolarHBondContact O-N 3.33Å; T1646-R1649 VanDerWaalsContact O-N 3.07Å; T1646-L1650 HydrophobicContact CG2-CD1 3.89Å; T1646-L1650 HydrophobicContact CG2-CG 4.32Å; T1646-L1650 WeakPolarHBondContact O-CG 3.42Å; T1646-L1650 PolarHBondContact O-N 3.43Å; T1646-I1661 HydrophobicContact CG2-CD1 4.17Å |
| 1647 | E | 81.6 | Confident | 77.2 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 173.6 | -67.6 | -178.9 | 138.2 | 0 | 0 | 111.5 | L1643 E1644 R1649 L1650 | L1643-E1647 HydrophobicContact CD1-CG 4.15Å; L1643-E1647 PolarHBondContact O-N 3.39Å; E1644-E1647 PolarHBondContact O-N 3.45Å; E1647-R1649 PolarHBondContact O-N 3.41Å; E1647-R1649 VanDerWaalsContact O-N 3.09Å; E1647-L1650 PolarHBondContact O-N 3.32Å |
| 1648 | Q | 81.4 | Confident | 76.5 | Confident | 113 Ų | 113 | 62.6 Ų | 62.6 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.4 | 175.1 | -74.8 | 173.3 | 11.9 | 0 | 0 | 114.5 | E1644 T1646 I1651 | E1644-Q1648 WeakPolarHBondContact O-CB 3.37Å; E1644-Q1648 VanDerWaalsContact O-CG 3.23Å; E1644-Q1648 WeakPolarHBondContact O-CG 3.47Å; E1644-Q1648 PolarHBondContact O-N 3Å; E1644-Q1648 PolarHBondContact OE1-NE2 3.41Å; E1644-Q1648 VanDerWaalsContact OE1-NE2 3.1Å; T1646-Q1648 PolarHBondContact O-N 2.97Å; Q1648-I1651 VanDerWaalsContact O-CD1 3.3Å; Q1648-I1651 WeakPolarHBondContact O-CD1 3.41Å |
| 1649 | R | 76.4 | Confident | 76.1 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -17.1 | -178.5 | -145.3 | 69.8 | 178.9 | 76.7 | 13.9 | 114.5 | M1598 L1601 T1602 E1605 R1645 T1646 E1647 I1651 | M1598-R1649 HydrophobicContact SD-CB 4.34Å; L1601-R1649 HydrophobicContact CD1-CB 4.43Å; T1602-R1649 PolarHBondContact OG1-NH2 2.75Å; E1605-R1649 VanDerWaalsContact CD-NH1 3.3Å; E1605-R1649 IonicContact OE1-CZ 3.62Å; E1605-R1649 IonicContact OE1-NH1 2.71Å; E1605-R1649 PolarHBondContact OE1-NH1 3.12Å; E1605-R1649 IonicContact OE1-NH2 3.68Å; E1605-R1649 IonicContact OE2-CZ 3.37Å; E1605-R1649 IonicContact OE2-NH1 3.26Å; E1605-R1649 PolarHBondContact OE2-NH1 2.74Å; E1605-R1649 IonicContact OE2-NH2 2.68Å; E1605-R1649 PolarHBondContact OE2-NH2 3.17Å; R1645-R1649 WeakPolarHBondContact O-CB 3.32Å; R1645-R1649 PolarHBondContact O-N 2.95Å; T1646-R1649 PolarHBondContact O-N 3.33Å; T1646-R1649 VanDerWaalsContact O-N 3.07Å; E1647-R1649 PolarHBondContact O-N 3.41Å; E1647-R1649 VanDerWaalsContact O-N 3.09Å; R1649-I1651 PolarHBondContact O-N 2.85Å |
| 1650 | L | 77.4 | Confident | 75.5 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | trans | -81.8 | 66.1 | 170.6 | -67.3 | 173.2 | 0 | 0 | 0 | 110.7 | V1623 L1627 T1646 E1647 L1654 E1655 A1658 | V1623-L1650 HydrophobicContact CG1-CD2 4.1Å; L1627-L1650 HydrophobicContact CD1-CD1 3.78Å; L1627-L1650 HydrophobicContact CD1-CD2 4.3Å; L1627-L1650 HydrophobicContact CD2-CD1 4.2Å; T1646-L1650 HydrophobicContact CG2-CD1 3.89Å; T1646-L1650 HydrophobicContact CG2-CG 4.32Å; T1646-L1650 WeakPolarHBondContact O-CG 3.42Å; T1646-L1650 PolarHBondContact O-N 3.43Å; E1647-L1650 PolarHBondContact O-N 3.32Å; L1650-L1654 HydrophobicContact CD2-CB 3.98Å; L1650-E1655 VanDerWaalsContact O-CA 3.31Å; L1650-E1655 WeakPolarHBondContact O-CA 3.43Å; L1650-A1658 HydrophobicContact CB-CB 4.3Å; L1650-A1658 HydrophobicContact CD1-CB 4.23Å | ||
| 1651 | I | 69.4 | Low | 74.8 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 56% | 0.559 | 33% | 0.332 | S | S | * | . | trans | -115.3 | 147.1 | -179.1 | -60.1 | 179.2 | 0 | 0 | 0 | 109.7 | Q1648 R1649 | Q1648-I1651 VanDerWaalsContact O-CD1 3.3Å; Q1648-I1651 WeakPolarHBondContact O-CD1 3.41Å; R1649-I1651 PolarHBondContact O-N 2.85Å | ||
| 1652 | G | 71.4 | Confident | 73.8 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | 74.2 | -129.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1654 E1655 | G1652-L1654 PolarHBondContact O-N 3.12Å; G1652-E1655 PolarHBondContact N-OE2 2.86Å; G1652-E1655 WeakPolarHBondContact O-CB 3.17Å; G1652-E1655 PolarHBondContact O-N 3.14Å |
| 1653 | P | 64.5 | Low | 72.2 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -66.8 | -9 | -171.5 | 29 | -36.2 | 0 | 0 | 0 | 114.8 | L1608 | L1608-P1653 HydrophobicContact CD2-CB 3.91Å; L1608-P1653 HydrophobicContact CD2-CG 3.82Å; L1608-P1653 HydrophobicContact CG-CB 4.48Å; L1608-P1653 HydrophobicContact CG-CG 4.31Å |
| 1654 | L | 70.7 | Confident | 70.5 | Confident | 8 Ų | 8 | 74.5 Ų | 74.5 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -102.6 | -4.1 | 172.1 | -64.1 | 175 | 0 | 0 | 0 | 113.8 | L1608 P1620 V1623 L1650 G1652 A1656 L1657 | L1608-L1654 HydrophobicContact CD2-CD2 3.78Å; L1608-L1654 HydrophobicContact CD2-CG 3.89Å; P1620-L1654 HydrophobicContact CB-CD2 4.1Å; P1620-L1654 HydrophobicContact CG-CD2 4.25Å; V1623-L1654 HydrophobicContact CG2-CD2 4.46Å; L1650-L1654 HydrophobicContact CD2-CB 3.98Å; G1652-L1654 PolarHBondContact O-N 3.12Å; L1654-A1656 VanDerWaalsContact C-N 3.27Å; L1654-A1656 PolarHBondContact O-N 3.21Å; L1654-L1657 HydrophobicContact CD2-CD1 3.97Å; L1654-L1657 VanDerWaalsContact O-CB 3.3Å; L1654-L1657 WeakPolarHBondContact O-CB 3.48Å; L1654-L1657 PolarHBondContact O-N 2.85Å |
| 1655 | E | 72.4 | Confident | 68.5 | Low | 116 Ų | 116 | 75.2 Ų | 75.2 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -60.6 | -32.1 | -173.3 | -171.8 | 177.1 | 150.1 | 0 | 0 | 113.6 | L1650 G1652 L1657 A1658 | L1650-E1655 VanDerWaalsContact O-CA 3.31Å; L1650-E1655 WeakPolarHBondContact O-CA 3.43Å; G1652-E1655 PolarHBondContact N-OE2 2.86Å; G1652-E1655 WeakPolarHBondContact O-CB 3.17Å; G1652-E1655 PolarHBondContact O-N 3.14Å; E1655-L1657 PolarHBondContact O-N 2.86Å; E1655-L1657 VanDerWaalsContact O-N 3.09Å; E1655-A1658 WeakPolarHBondContact O-CB 3.46Å; E1655-A1658 PolarHBondContact O-N 3.28Å; E1655-A1658 VanDerWaalsContact O-N 3.12Å |
| 1656 | A | 68.6 | Low | 66.3 | Low | 77 Ų | 77 | 76.2 Ų | 76.2 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -55.9 | -28.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1654 | L1654-A1656 VanDerWaalsContact C-N 3.27Å; L1654-A1656 PolarHBondContact O-N 3.21Å |
| 1657 | L | 71.7 | Confident | 64.2 | Low | 18 Ų | 18 | 85.6 Ų | 85.6 | 9% | 0.094 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -79.8 | -19.2 | -178 | -55.2 | -177.1 | 0 | 0 | 0 | 113.8 | P1620 V1623 K1624 L1627 L1654 E1655 N1659 T1660 | P1620-L1657 HydrophobicContact CB-CD1 4.33Å; P1620-L1657 WeakPolarHBondContact O-CD1 3.34Å; V1623-L1657 HydrophobicContact CB-CD1 3.86Å; V1623-L1657 HydrophobicContact CG1-CD1 3.74Å; K1624-L1657 HydrophobicContact CB-CD1 4.22Å; K1624-L1657 HydrophobicContact CB-CD2 3.82Å; K1624-L1657 HydrophobicContact CD-CD2 4.22Å; K1624-L1657 HydrophobicContact CG-CD2 4.19Å; L1627-L1657 HydrophobicContact CD1-CB 3.85Å; L1654-L1657 HydrophobicContact CD2-CD1 3.97Å; L1654-L1657 VanDerWaalsContact O-CB 3.3Å; L1654-L1657 WeakPolarHBondContact O-CB 3.48Å; L1654-L1657 PolarHBondContact O-N 2.85Å; E1655-L1657 PolarHBondContact O-N 2.86Å; E1655-L1657 VanDerWaalsContact O-N 3.09Å; L1657-N1659 PolarHBondContact O-N 2.89Å; L1657-N1659 VanDerWaalsContact O-N 3.13Å; L1657-T1660 WeakPolarHBondContact O-CB 3.06Å; L1657-T1660 PolarHBondContact O-N 3.13Å; L1657-T1660 PolarHBondContact O-OG1 3.41Å |
| 1658 | A | 66 | Low | 61.8 | Low | 29 Ų | 29 | 89.6 Ų | 89.6 | 24% | 0.24 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -58.4 | -29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1650 E1655 T1660 | L1650-A1658 HydrophobicContact CB-CB 4.3Å; L1650-A1658 HydrophobicContact CD1-CB 4.23Å; E1655-A1658 WeakPolarHBondContact O-CB 3.46Å; E1655-A1658 PolarHBondContact O-N 3.28Å; E1655-A1658 VanDerWaalsContact O-N 3.12Å; A1658-T1660 PolarHBondContact O-N 2.98Å |
| 1659 | N | 69.5 | Low | 59.7 | Low | 122 Ų | 122 | 90.2 Ų | 90.2 | 65% | 0.652 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -71.4 | -3.8 | 175.2 | -62.1 | -72.8 | 0 | 0 | 0 | 114.8 | L1657 | L1657-N1659 PolarHBondContact O-N 2.89Å; L1657-N1659 VanDerWaalsContact O-N 3.13Å |
| 1660 | T | 67.2 | Low | 57.5 | Low | 40 Ų | 40 | 94.9 Ų | 94.9 | 25% | 0.245 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -90.7 | -11.3 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | L1657 A1658 | L1657-T1660 WeakPolarHBondContact O-CB 3.06Å; L1657-T1660 PolarHBondContact O-N 3.13Å; L1657-T1660 PolarHBondContact O-OG1 3.41Å; A1658-T1660 PolarHBondContact O-N 2.98Å |
| 1661 | I | 64.8 | Low | 55.3 | Low | 11 Ų | 11 | 100.6 Ų | 100.6 | 6% | 0.056 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -82.7 | 129.9 | 171.6 | -51.7 | 171 | 0 | 0 | 0 | 108.2 | L1627 F1636 L1643 T1646 | L1627-I1661 HydrophobicContact CD2-CD1 4.17Å; L1627-I1661 HydrophobicContact CD2-CG1 4.38Å; F1636-I1661 HydrophobicContact CB-CG2 4.48Å; F1636-I1661 HydrophobicContact CD2-CG1 4.46Å; F1636-I1661 HydrophobicContact CD2-CG2 3.65Å; F1636-I1661 HydrophobicContact CE1-CD1 4.3Å; F1636-I1661 HydrophobicContact CE2-CD1 4.19Å; F1636-I1661 HydrophobicContact CE2-CG1 4.05Å; F1636-I1661 HydrophobicContact CE2-CG2 4.09Å; F1636-I1661 HydrophobicContact CG-CG2 4.1Å; F1636-I1661 HydrophobicContact CZ-CD1 4.06Å; F1636-I1661 HydrophobicContact CZ-CG1 4.35Å; L1643-I1661 HydrophobicContact CD1-CD1 4Å; L1643-I1661 HydrophobicContact CD1-CG2 3.83Å; T1646-I1661 HydrophobicContact CG2-CD1 4.17Å |
| 1662 | G | 60 | Low | 53.5 | Low | 34 Ų | 34 | 101 Ų | 101 | 35% | 0.351 | 57% | 0.565 | S | S | . | * | trans | -60 | 138.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1631 Y1637 | D1631-G1662 WeakPolarHBondContact OD2-CA 3.3Å; D1631-G1662 PolarHBondContact OD2-N 2.57Å; Y1637-G1662 PolarHBondContact OH-O 2.92Å | ||
| 1663 | K | 51.3 | Low | 51.7 | Low | 178 Ų | 178 | 103.2 Ų | 103.2 | 77% | 0.774 | 58% | 0.575 | S | S | * | * | trans | -89.7 | 115 | 172.5 | -74.9 | 176.3 | 178.6 | 169.4 | 0 | 109.9 | ||||
| 1664 | R | 46.4 | Very low | 50.1 | Low | 187 Ų | 187 | 107.6 Ų | 107.6 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 127.8 | -178.3 | -154.1 | -176.4 | -145.6 | -177.3 | 7.6 | 111.7 | Y1637 S1666 | Y1637-R1664 HydrophobicContact CE1-CB 4.14Å; Y1637-R1664 HydrophobicContact CE1-CG 4.08Å; R1664-S1666 PolarHBondContact O-N 2.9Å |
| 1665 | P | 40.5 | Very low | 48.1 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 80% | 0.799 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130.1 | 173.5 | 28.3 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 1666 | S | 38.6 | Very low | 46.5 | Very low | 118 Ų | 118 | 114.9 Ų | 114.9 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 117.5 | -176.8 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | R1664 | R1664-S1666 PolarHBondContact O-N 2.9Š|
| 1667 | E | 38.7 | Very low | 44.3 | Very low | 196 Ų | 196 | 117.7 Ų | 117.7 | 92% | 0.916 | 63% | 0.632 | S | S | * | * | trans | -144.9 | 124.3 | 158.4 | -137.3 | 167 | -138.6 | 0 | 0 | 110.5 | ||||
| 1668 | E | 31.6 | Very low | 42.8 | Very low | 184 Ų | 184 | 123.2 Ų | 123.2 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | trans | -86.6 | 149.9 | 171 | -53.8 | 179.4 | 135 | 0 | 0 | 109.3 | ||||
| 1669 | V | 36.1 | Very low | 40.9 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | -171 | 119.1 | 129.4 | 136.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1670 | K | 31.5 | Very low | 39.5 | Very low | 180 Ų | 180 | 132 Ų | 132 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | 40.7 | 110.5 | 143.7 | -62.9 | 169.9 | -176.5 | 171 | 0 | 118.9 | ||||
| 1671 | V | 30.5 | Very low | 37.9 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | 89.5 | 96.7 | 69.7 | 165.4 | 0 | 0 | 0 | 0 | 113.1 | S1673 | V1671-S1673 WeakPolarHBondContact CG1-OG 3.34Š| |||
| 1672 | S | 32.2 | Very low | 36.1 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -158.9 | 111.5 | 139.5 | 44.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1673 | S | 32.3 | Very low | 34.8 | Very low | 87 Ų | 87 | 152 Ų | 152 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | cis | 65.6 | 66.1 | 18.4 | 93.6 | 0 | 0 | 0 | 0 | 114.6 | V1671 | V1671-S1673 WeakPolarHBondContact CG1-OG 3.34Š| ||
| 1674 | E | 30.8 | Very low | 33.6 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | -142.6 | 137.9 | 93.1 | -90.7 | 157.1 | -176.9 | 0 | 0 | 107.3 | |||||
| 1675 | Q | 30.2 | Very low | 32.5 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | 72.5 | 152.6 | 66.5 | -100 | -154.1 | 17.7 | 0 | 0 | 113.6 | |||||
| 1676 | P | 38.4 | Very low | 31.9 | Very low | 97 Ų | 97 | 152.1 Ų | 152.1 | 63% | 0.63 | 80% | 0.799 | S | S | * | * | -99.6 | -127.8 | -111.8 | 39.4 | -37.8 | 0 | 0 | 0 | 112.6 | |||||
| 1677 | I | 23.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | trans | 72.4 | 92.1 | -176.4 | -47.6 | 161.5 | 0 | 0 | 0 | 109.8 | L1679 | I1677-L1679 HydrophobicContact CG2-CB 4.46Å; I1677-L1679 HydrophobicContact CG2-CD1 4.41Å | ||
| 1678 | V | 38.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | 45.5 | 78.4 | 53.6 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1679 | L | 27.2 | Very low | 32.3 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -173.4 | 133.1 | 148.6 | -103.3 | 157.5 | 0 | 0 | 0 | 111.8 | I1677 | I1677-L1679 HydrophobicContact CG2-CB 4.46Å; I1677-L1679 HydrophobicContact CG2-CD1 4.41Å | ||
| 1680 | M | 39.3 | Very low | 32.4 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -80 | 154 | 164.6 | -54.9 | 169.7 | 75.2 | 0 | 0 | 109.5 | ||||
| 1681 | P | 34.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -150.9 | 147.8 | 138.9 | 33.9 | -15.8 | 0 | 0 | 0 | 118 | ||||
| 1682 | K | 26.9 | Very low | 32.4 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | 79.2 | 148.9 | 146.1 | -73.8 | 176 | 175.4 | -175.7 | 0 | 121 | ||||
| 1683 | E | 31.8 | Very low | 32.4 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -100.9 | 157.2 | -168.8 | -59 | 135.8 | 121.2 | 0 | 0 | 113.9 | ||||
| 1684 | A | 26.9 | Very low | 32.3 | Very low | 81 Ų | 81 | 147.6 Ų | 147.6 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -140.3 | 126.8 | 139.4 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1685 | E | 22.3 | Very low | 32.6 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | 51.8 | 103 | 75.6 | -61.3 | -173.2 | 144.1 | 0 | 0 | 110.4 | |||||
| 1686 | Y | 28.1 | Very low | 33.4 | Very low | 222 Ų | 222 | 142 Ų | 142 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | S | Bend | cis | -97.6 | 160.7 | 9.8 | -67.4 | -115.5 | 0 | 0 | 0 | 111.8 | ||
| 1687 | D | 32.2 | Very low | 34 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -156.6 | 155.5 | -3.6 | -142.8 | -29.7 | 0 | 0 | 0 | 109.7 | ||||
| 1688 | S | 42.9 | Very low | 34.9 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | 54.7 | 132.1 | 172.3 | 59.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1689 | T | 42.4 | Very low | 34.7 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | cis | 91.2 | 133.1 | 26.7 | 70.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1690 | L | 37.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 69.2 | 152.2 | 168.9 | -49.4 | 176.3 | 0 | 0 | 0 | 115.8 | ||||
| 1691 | E | 35.2 | Very low | 35 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 65% | 0.654 | 75% | 0.748 | S | S | * | * | cis | -140.2 | 177.8 | -18.9 | -115.1 | 164 | 120.7 | 0 | 0 | 107.5 | ||||
| 1692 | E | 27.2 | Very low | 34.8 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | S | Bend | 40.6 | 175.3 | 71 | -154.6 | 146.9 | -171.4 | 0 | 0 | 116.9 | |||
| 1693 | V | 32.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -60.3 | 174.4 | 174 | -174.8 | 0 | 0 | 0 | 0 | 110 | ||
| 1694 | V | 31.5 | Very low | 34.8 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | trans | 79.4 | 124.7 | 171.5 | -161.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1695 | V | 36 | Very low | 34.9 | Very low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -154.4 | 145.3 | 15.3 | -115.6 | 0 | 0 | 0 | 0 | 106.3 | ||
| 1696 | V | 47.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | S | Bend | cis | -150.5 | 137.6 | 1.9 | 170.4 | 0 | 0 | 0 | 0 | 104.6 | ||
| 1697 | D | 50.4 | Low | 35.3 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | cis | -148 | 168.2 | 1.1 | -130.6 | -23.8 | 0 | 0 | 0 | 112.9 | ||||
| 1698 | A | 42.9 | Very low | 35.1 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | trans | 1 | 156.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1699 | L | 33.7 | Very low | 35 | Very low | 151 Ų | 151 | 132 Ų | 132 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | cis | -171.7 | 151.3 | -8.9 | -106.5 | 170.2 | 0 | 0 | 0 | 107.9 | ||||
| 1700 | P | 43.7 | Very low | 34.6 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -91.8 | 135.9 | 162.4 | 34 | -29.7 | 0 | 0 | 0 | 111.5 | ||||
| 1701 | N | 27.9 | Very low | 34 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | -173 | 138.5 | 155.4 | -111 | -74.7 | 0 | 0 | 0 | 113.3 | ||||
| 1702 | K | 31.1 | Very low | 34.1 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 55.1 | 129.1 | 150.6 | -65.5 | 169.7 | -174.1 | -179.6 | 0 | 119.3 | ||||
| 1703 | E | 27.1 | Very low | 34.3 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | 72.4 | 126 | 50.4 | -69.9 | -161.1 | 129.8 | 0 | 0 | 116.2 | |||||
| 1704 | I | 30.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 73.9 | 84.3 | 147.3 | -59.9 | 162.8 | 0 | 0 | 0 | 117 | ||||
| 1705 | A | 30.8 | Very low | 33.9 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | 74.4 | 121.1 | 113.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1706 | N | 28.3 | Very low | 34 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | 66.5 | 117.1 | 124.5 | -63.7 | -1.7 | 0 | 0 | 0 | 121.1 | |||||
| 1707 | T | 28.9 | Very low | 33 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | 68.4 | 97.8 | 138.6 | -41.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1708 | A | 29.1 | Very low | 32.3 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | -163.1 | 139.2 | 101.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1709 | Q | 39.3 | Very low | 31.4 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -63.6 | 149.3 | 150.3 | -80.3 | 177.7 | -16.4 | 0 | 0 | 108.5 | ||||
| 1710 | P | 34.1 | Very low | 30.9 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | -139.5 | 162.7 | 63.1 | 35.6 | -16.4 | 0 | 0 | 0 | 118.4 | M1712 | P1710-M1712 PolarHBondContact O-N 3.45Š| |||
| 1711 | I | 27 | Very low | 30 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | trans | -45.4 | 120.5 | 166.5 | -68.9 | 164.7 | 0 | 0 | 0 | 112.1 | ||||
| 1712 | M | 36.2 | Very low | 29.9 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | 59.9 | -173.9 | 150.9 | -47.9 | 168.9 | 57.9 | 0 | 0 | 113.4 | P1710 | P1710-M1712 PolarHBondContact O-N 3.45Š| ||
| 1713 | D | 32 | Very low | 29.9 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 56% | 0.556 | 75% | 0.754 | S | S | * | * | cis | -144.6 | 169.1 | 47.7 | -135.1 | -37.8 | 0 | 0 | 0 | 113.6 | Q1716 | D1713-Q1716 PolarHBondContact OD1-NE2 3.05Å; D1713-Q1716 PolarHBondContact OD2-NE2 3.29Å | ||
| 1714 | S | 29.5 | Very low | 30.4 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | 79.4 | 151.2 | 173.4 | 83 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1715 | A | 25.2 | Very low | 30.2 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | cis | -73.7 | 79.6 | 22.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1716 | Q | 39 | Very low | 30.6 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 57% | 0.57 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -73.9 | 147.3 | 136.7 | -56.5 | -174.8 | 20.5 | 0 | 0 | 106.4 | D1713 | D1713-Q1716 PolarHBondContact OD1-NE2 3.05Å; D1713-Q1716 PolarHBondContact OD2-NE2 3.29Å |
| 1717 | P | 26.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -79.9 | 146.5 | -167.6 | 30.9 | -35.9 | 0 | 0 | 0 | 113.9 | ||||
| 1718 | L | 35.1 | Very low | 30.5 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | -92.5 | 103.4 | 169.6 | -103.5 | 173.7 | 0 | 0 | 0 | 111.7 | ||||
| 1719 | Q | 25 | Very low | 30.4 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 51.9 | 101.2 | 148.6 | -64.7 | 175.8 | 5.2 | 0 | 0 | 119.4 | ||||
| 1720 | Q | 22.9 | Very low | 30 | Very low | 186 Ų | 186 | 126 Ų | 126 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | -119.7 | 165.5 | 104.8 | -84.5 | -167 | -14.2 | 0 | 0 | 110.6 | |||||
| 1721 | Q | 24.6 | Very low | 29.7 | Very low | 174 Ų | 174 | 126.4 Ų | 126.4 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -38.4 | 144.5 | 169.8 | -68.5 | 154.8 | -25.3 | 0 | 0 | 113.2 | ||
| 1722 | C | 26.7 | Very low | 29.8 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | -155.2 | 171.8 | 5.6 | -107.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1723 | S | 30.8 | Very low | 29.2 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -3.7 | 132.2 | 162.1 | 56.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1724 | S | 36.1 | Very low | 29.7 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 119.8 | 145.9 | 58.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1725 | S | 27.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | 22.7 | 141.1 | 124.8 | -166.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1726 | P | 39.8 | Very low | 30 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | cis | -139 | -175.9 | -9.2 | 34.1 | -12.2 | 0 | 0 | 0 | 116.7 | ||||
| 1727 | A | 26.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 94.4 | 129.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1728 | A | 28.2 | Very low | 29.7 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | 81.8 | 113.9 | 133.8 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1729 | V | 27.9 | Very low | 29.5 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | 93.2 | 97.9 | 118.7 | 172.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1730 | V | 29.5 | Very low | 29.6 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 85 | 140.3 | 118.3 | 173.3 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 1731 | L | 27.9 | Very low | 30.4 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | trans | 69.1 | 129.3 | 160.2 | -84.9 | 166.3 | 0 | 0 | 0 | 120.3 | ||||
| 1732 | F | 30.3 | Very low | 30.6 | Very low | 188 Ų | 188 | 123 Ų | 123 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | -160.6 | 166 | 52.7 | -105.3 | -79.1 | 0 | 0 | 0 | 113.9 | |||||
| 1733 | G | 23.6 | Very low | 30.7 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | trans | -112 | -141.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1734 | P | 42.1 | Very low | 30.6 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | cis | -139.7 | -166.7 | -6.6 | 42.1 | -23.1 | 0 | 0 | 0 | 113.6 | ||||
| 1735 | I | 31.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | 171.7 | 112.9 | 129.1 | -89.6 | 164.8 | 0 | 0 | 0 | 112.1 | |||||
| 1736 | R | 29.1 | Very low | 30.2 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | 54.7 | 153.4 | 135.5 | -57.1 | -166.3 | 97 | 145.8 | 14.7 | 122.4 | ||||
| 1737 | E | 26.4 | Very low | 29.7 | Very low | 133 Ų | 133 | 127 Ų | 127 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | cis | 179.1 | 174.5 | -31.2 | -112.9 | 174.5 | 179.6 | 0 | 0 | 107.6 | ||||
| 1738 | Q | 31.5 | Very low | 29.7 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | 75.2 | 143.2 | 164.4 | -45.9 | -163 | -9.7 | 0 | 0 | 117.5 | ||||
| 1739 | T | 30.6 | Very low | 30.2 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | cis | -159.4 | 140.7 | -17 | 16.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1740 | A | 26.9 | Very low | 30.6 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | 41.5 | 156.7 | 134.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1741 | P | 40.9 | Very low | 30.8 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -127.7 | -146.9 | -164.6 | 39.5 | -17.7 | 0 | 0 | 0 | 113.3 | ||||
| 1742 | V | 27.6 | Very low | 30.9 | Very low | 120 Ų | 120 | 134 Ų | 134 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 79.8 | 113.4 | 172.4 | -168.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1743 | G | 29.2 | Very low | 31.6 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -82.4 | 125.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1744 | N | 29.3 | Very low | 32.1 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -84.1 | 143.2 | 178.3 | -95.5 | -30.9 | 0 | 0 | 0 | 112.9 | ||||
| 1745 | L | 25.3 | Very low | 31.4 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | -31.7 | 136.9 | 161.2 | -67.1 | 120.1 | 0 | 0 | 0 | 115.2 | ||||
| 1746 | V | 30.5 | Very low | 31.3 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -125.2 | 135.8 | 139 | 177.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1747 | L | 29.1 | Very low | 31.5 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | -100.3 | 144.7 | -174 | -89.5 | 157.3 | 0 | 0 | 0 | 111.9 | ||||
| 1748 | L | 25.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | 77 | 160 | 147.9 | -67.6 | 166.9 | 0 | 0 | 0 | 120.2 | ||||
| 1749 | P | 39.2 | Very low | 31.9 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -111.3 | -142 | -170.1 | 46.3 | -32.9 | 0 | 0 | 0 | 108.9 | ||||
| 1750 | P | 37.2 | Very low | 31.8 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | cis | -129.9 | -177.8 | -19.8 | 39.1 | -22.4 | 0 | 0 | 0 | 114.3 | ||||
| 1751 | L | 33.3 | Very low | 32 | Very low | 181 Ų | 181 | 131 Ų | 131 | 95% | 0.948 | 77% | 0.771 | S | S | * | * | trans | -145.5 | 157.8 | 145.3 | -110.2 | 163.3 | 0 | 0 | 0 | 110.1 | ||||
| 1752 | Q | 29.3 | Very low | 31.5 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -133.7 | -179.9 | -151.4 | -110.5 | -163.2 | -15 | 0 | 0 | 113.4 | ||||
| 1753 | P | 45.2 | Very low | 31.6 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | trans | -90 | -159.9 | -160 | 39.3 | -39.5 | 0 | 0 | 0 | 113.6 | ||||
| 1754 | P | 34.5 | Very low | 32 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | -137.5 | 171.8 | 111.7 | 38.9 | -28.6 | 0 | 0 | 0 | 115.7 | |||||
| 1755 | S | 26.3 | Very low | 32 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -100.7 | -155.7 | -171 | -42.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1756 | V | 29.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | 82.8 | 126 | 171 | -162.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1757 | V | 33.6 | Very low | 32.5 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | cis | -136.7 | 137.2 | 47.3 | 174.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1758 | Q | 31.1 | Very low | 32.8 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -93.8 | 153.4 | 152.1 | -91.5 | -170.9 | -18.1 | 0 | 0 | 109.7 | ||||
| 1759 | P | 35.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -135.1 | 145 | 132.1 | 35.6 | -24.5 | 0 | 0 | 0 | 114.1 | ||||
| 1760 | V | 29.2 | Very low | 33.5 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 66% | 0.655 | 78% | 0.778 | S | S | * | * | trans | -111.7 | 137 | 167.5 | 172.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1761 | L | 29.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 162.9 | 160.2 | 157.9 | -87.5 | 146.3 | 0 | 0 | 0 | 109 | ||||
| 1762 | L | 31.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | -175 | 132 | -54.4 | -119.9 | 165.2 | 0 | 0 | 0 | 110.1 | |||||
| 1763 | G | 28.4 | Very low | 34.2 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | 80.1 | 173.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1764 | P | 38.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 130 Ų | 130 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | cis | -113.4 | -177.5 | 8.7 | 41.4 | -31.9 | 0 | 0 | 0 | 115.2 | ||||
| 1765 | S | 29 | Very low | 33.8 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -114.9 | 162.1 | -167.1 | -36.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1766 | V | 32.8 | Very low | 34.4 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -135.6 | 110.6 | 152 | -178 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1767 | M | 33.7 | Very low | 34.8 | Very low | 169 Ų | 169 | 132 Ų | 132 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | trans | 18.5 | 141.9 | 140.6 | -38.2 | -174.3 | 77.4 | 0 | 0 | 119.9 | ||||
| 1768 | T | 34.3 | Very low | 34.8 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | cis | -144.9 | 144.4 | 10.8 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1769 | K | 34.9 | Very low | 35 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | 62.5 | 147.2 | 56.6 | -93.3 | -153 | 173.3 | -166.1 | 0 | 116.4 | |||||
| 1770 | P | 44.7 | Very low | 35 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 60% | 0.597 | 79% | 0.79 | S | S | * | * | cis | -131 | 175.7 | -30.6 | 35.6 | -14.9 | 0 | 0 | 0 | 112.4 | ||||
| 1771 | D | 38.9 | Very low | 35.3 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | 157.8 | 173.3 | 84.2 | -103.3 | -22.2 | 0 | 0 | 0 | 106.7 | |||||
| 1772 | V | 35.2 | Very low | 35.6 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | cis | -166.8 | 157.6 | -30.3 | 125.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1773 | P | 39.7 | Very low | 35.8 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -133.6 | -150.7 | -132.1 | 43.2 | -26 | 0 | 0 | 0 | 117.2 | ||||
| 1774 | T | 32.7 | Very low | 36.3 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | 79.8 | 145.6 | 174.8 | 68.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1775 | F | 38.6 | Very low | 36.2 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | cis | -139.6 | -174.3 | 32.3 | -117.5 | -86.4 | 0 | 0 | 0 | 115.1 | ||||
| 1776 | D | 38.9 | Very low | 36.7 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -86.7 | 167.1 | -161.4 | -55.4 | -78.1 | 0 | 0 | 0 | 119.3 | ||||
| 1777 | A | 38.7 | Very low | 37 | Very low | 93 Ų | 93 | 145.8 Ų | 145.8 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 67.8 | 96.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1778 | Q | 34.4 | Very low | 37.4 | Very low | 274 Ų | 274 | 143.7 Ų | 143.7 | 100% | 1.28 | 79% | 0.788 | S | S | * | * | -154 | 0 | 96.8 | -109.7 | -178.3 | -14.6 | 0 | 0 | 111.5 |
Retrieved 1,778 of 1,778 residues in 2242.4 ms
(Link to these results)