| 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 | 47.4 | Very low | 52.4 | Low | 225 Ų | 225 | 90.5 Ų | 90.5 | 100% | 1.108 | 55% | 0.547 | S | S | * | . | 0 | -38.7 | 0 | -67 | -178.7 | -160.9 | 0 | 0 | 112.5 | A3 G4 | M1-A3 PolarHBondContact O-N 3.37Å; M1-G4 PolarHBondContact O-N 3.24Å | |||
| 2 | V | 46 | Very low | 53.1 | Low | 89 Ų | 89 | 94 Ų | 94 | 54% | 0.539 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -36.8 | -176.7 | -171 | 0 | 0 | 0 | 0 | 114.6 | G4 L5 W6 | V2-G4 VanDerWaalsContact C-N 3.27Å; V2-G4 PolarHBondContact O-N 3.36Å; V2-L5 PolarHBondContact O-N 2.93Å; V2-W6 HydrophobicContact CG1-CH2 4.33Å; V2-W6 HydrophobicContact CG1-CZ2 4.3Å; V2-W6 HydrophobicContact CG1-CZ3 4.44Å |
| 3 | A | 48.6 | Very low | 53.8 | Low | 91 Ų | 91 | 89.5 Ų | 89.5 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -28.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1 | M1-A3 PolarHBondContact O-N 3.37Å |
| 4 | G | 49 | Very low | 54.3 | Low | 67 Ų | 67 | 91.4 Ų | 91.4 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.4 | -26.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 V2 W6 | M1-G4 PolarHBondContact O-N 3.24Å; V2-G4 VanDerWaalsContact C-N 3.27Å; V2-G4 PolarHBondContact O-N 3.36Å; G4-W6 VanDerWaalsContact C-N 3.28Å; G4-W6 PolarHBondContact O-N 3.3Å |
| 5 | L | 51.6 | Low | 54.7 | Low | 60 Ų | 60 | 88.8 Ų | 88.8 | 31% | 0.314 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.8 | -22.5 | -178.4 | -79.3 | 150.3 | 0 | 0 | 0 | 113.1 | V2 T69 | V2-L5 PolarHBondContact O-N 2.93Å; L5-T69 HydrophobicContact CD2-CG2 4.32Å |
| 6 | W | 51.6 | Low | 55 | Low | 140 Ų | 140 | 85.2 Ų | 85.2 | 53% | 0.53 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -111.7 | -6.4 | -175.4 | -64.2 | -13.5 | 0 | 0 | 0 | 113.3 | V2 G4 D8 V10 | V2-W6 HydrophobicContact CG1-CH2 4.33Å; V2-W6 HydrophobicContact CG1-CZ2 4.3Å; V2-W6 HydrophobicContact CG1-CZ3 4.44Å; G4-W6 VanDerWaalsContact C-N 3.28Å; G4-W6 PolarHBondContact O-N 3.3Å; W6-D8 PolarHBondContact O-N 3.49Å; W6-V10 HydrophobicContact CB-CG2 3.87Å; W6-V10 WeakPolarHBondContact O-CB 3.26Å; W6-V10 WeakPolarHBondContact O-CG2 3.44Å; W6-V10 PolarHBondContact O-N 2.79Å |
| 7 | G | 55.2 | Low | 55.2 | Low | 34 Ų | 34 | 82.8 Ų | 82.8 | 35% | 0.351 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.2 | -53 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S11 | G7-S11 WeakPolarHBondContact O-CB 3.32Å; G7-S11 PolarHBondContact O-N 3.09Å; G7-S11 PolarHBondContact O-OG 3.33Å |
| 8 | D | 58.5 | Low | 55.5 | Low | 139 Ų | 139 | 81.9 Ų | 81.9 | 74% | 0.743 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -58.5 | -174.6 | -71.3 | -1.1 | 0 | 0 | 0 | 113.4 | W6 V10 S11 E12 | W6-D8 PolarHBondContact O-N 3.49Å; D8-V10 PolarHBondContact O-N 3.46Å; D8-S11 PolarHBondContact O-N 3.19Å; D8-S11 PolarHBondContact O-OG 3.01Å; D8-E12 PolarHBondContact O-N 2.86Å; D8-E12 VanDerWaalsContact O-N 3.15Å |
| 9 | P | 53.7 | Low | 55.8 | Low | 30 Ų | 30 | 81.9 Ų | 81.9 | 20% | 0.195 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -68.9 | -32.3 | -177 | 27.1 | -35.7 | 0 | 0 | 0 | 113.2 | F57 L65 | P9-F57 HydrophobicContact CB-CZ 4.42Å; P9-L65 HydrophobicContact CB-CD1 4.44Å; P9-L65 HydrophobicContact CG-CD1 4Å; P9-L65 HydrophobicContact CG-CD2 3.99Å |
| 10 | V | 54.9 | Low | 56.3 | Low | 59 Ų | 59 | 80.7 Ų | 80.7 | 36% | 0.358 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.3 | -35.4 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | W6 D8 E12 C13 D14 | W6-V10 HydrophobicContact CB-CG2 3.87Å; W6-V10 WeakPolarHBondContact O-CB 3.26Å; W6-V10 WeakPolarHBondContact O-CG2 3.44Å; W6-V10 PolarHBondContact O-N 2.79Å; D8-V10 PolarHBondContact O-N 3.46Å; V10-E12 VanDerWaalsContact C-N 3.29Å; V10-E12 PolarHBondContact O-N 3.28Å; V10-C13 CarbonylContact O-C 3.58Å; V10-C13 PolarHBondContact O-N 3.43Å; V10-C13 VanDerWaalsContact O-N 3.11Å; V10-D14 PolarHBondContact O-N 3.26Å |
| 11 | S | 59.4 | Low | 56.9 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 176.8 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | G7 D8 C13 D14 A15 | G7-S11 WeakPolarHBondContact O-CB 3.32Å; G7-S11 PolarHBondContact O-N 3.09Å; G7-S11 PolarHBondContact O-OG 3.33Å; D8-S11 PolarHBondContact O-N 3.19Å; D8-S11 PolarHBondContact O-OG 3.01Å; S11-C13 VanDerWaalsContact C-N 3.28Å; S11-C13 PolarHBondContact O-N 2.93Å; S11-D14 PolarHBondContact O-N 3.28Å; S11-A15 VanDerWaalsContact O-CB 3.29Å; S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.46Å |
| 12 | E | 61.9 | Low | 57.9 | Low | 132 Ų | 132 | 80.2 Ų | 80.2 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 173.9 | -171.6 | 174.9 | 173.4 | 0 | 0 | 110 | D8 V10 A15 L16 | D8-E12 PolarHBondContact O-N 2.86Å; D8-E12 VanDerWaalsContact O-N 3.15Å; V10-E12 VanDerWaalsContact C-N 3.29Å; V10-E12 PolarHBondContact O-N 3.28Å; E12-A15 PolarHBondContact O-N 3.34Å; E12-L16 HydrophobicContact CG-CD1 4.31Å; E12-L16 WeakPolarHBondContact O-CB 3.44Å; E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 2.91Å |
| 13 | C | 62.1 | Low | 59 | Low | 36 Ų | 36 | 77.1 Ų | 77.1 | 24% | 0.243 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -72.3 | -35.5 | 176.8 | -71.7 | 0 | 0 | 0 | 0 | 114.3 | V10 S11 A15 L16 G17 C53 | V10-C13 CarbonylContact O-C 3.58Å; V10-C13 PolarHBondContact O-N 3.43Å; V10-C13 VanDerWaalsContact O-N 3.11Å; S11-C13 VanDerWaalsContact C-N 3.28Å; S11-C13 PolarHBondContact O-N 2.93Å; C13-A15 VanDerWaalsContact C-N 3.35Å; C13-L16 CarbonylContact O-C 3.59Å; C13-L16 PolarHBondContact O-N 3.16Å; C13-G17 PolarHBondContact O-N 3.28Å; C13-C53 WeakPolarHBondContact CA-SG 3.43Å; C13-C53 HydrophobicContact CB-CB 3.52Å; C13-C53 WeakPolarHBondContact CB-SG 3.13Å; C13-C53 WeakPolarHBondContact SG-CA 3.33Å; C13-C53 WeakPolarHBondContact SG-CB 3.04Å; C13-C53 CovalentContact SG-SG 2.04Å; C13-C53 PolarHBondContact SG-SG 3.22Å |
| 14 | D | 59.9 | Low | 60.1 | Low | 115 Ų | 115 | 76.4 Ų | 76.4 | 62% | 0.615 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 173 | -75.2 | -21.6 | 0 | 0 | 0 | 110.7 | V10 S11 L16 G17 A18 | V10-D14 PolarHBondContact O-N 3.26Å; S11-D14 PolarHBondContact O-N 3.28Å; D14-L16 VanDerWaalsContact C-N 3.35Å; D14-G17 PolarHBondContact O-N 2.96Å; D14-A18 PolarHBondContact O-N 2.92Å |
| 15 | A | 61 | Low | 61.3 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S11 E12 C13 G17 A18 I19 | S11-A15 VanDerWaalsContact O-CB 3.29Å; S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.46Å; E12-A15 PolarHBondContact O-N 3.34Å; C13-A15 VanDerWaalsContact C-N 3.35Å; A15-G17 VanDerWaalsContact C-N 3.34Å; A15-A18 PolarHBondContact O-N 3.45Å; A15-I19 VanDerWaalsContact O-CG1 3.29Å; A15-I19 WeakPolarHBondContact O-CG1 3.38Å; A15-I19 PolarHBondContact O-N 3.07Å; A15-I19 VanDerWaalsContact O-N 3.08Å |
| 16 | L | 58.9 | Low | 62.5 | Low | 31 Ų | 31 | 75 Ų | 75 | 16% | 0.162 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66 | -33.8 | 174.7 | -74.1 | 169.8 | 0 | 0 | 0 | 112.9 | E12 C13 D14 A18 I19 D20 T50 | E12-L16 HydrophobicContact CG-CD1 4.31Å; E12-L16 WeakPolarHBondContact O-CB 3.44Å; E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 2.91Å; C13-L16 CarbonylContact O-C 3.59Å; C13-L16 PolarHBondContact O-N 3.16Å; D14-L16 VanDerWaalsContact C-N 3.35Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.75Å; L16-I19 HydrophobicContact CD2-CD1 4.04Å; L16-I19 CarbonylContact O-C 3.57Å; L16-I19 WeakPolarHBondContact O-CB 3.44Å; L16-I19 PolarHBondContact O-N 3.4Å; L16-I19 VanDerWaalsContact O-N 3.14Å; L16-D20 PolarHBondContact O-N 3.25Å; L16-T50 HydrophobicContact CB-CG2 4.31Å |
| 17 | G | 59.5 | Low | 63.4 | Low | 45 Ų | 45 | 68.5 Ų | 68.5 | 46% | 0.464 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C13 D14 A15 D20 | C13-G17 PolarHBondContact O-N 3.28Å; D14-G17 PolarHBondContact O-N 2.96Å; A15-G17 VanDerWaalsContact C-N 3.34Å; G17-D20 PolarHBondContact O-N 3.24Å |
| 18 | A | 60.5 | Low | 64.4 | Low | 66 Ų | 66 | 70.8 Ų | 70.8 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D14 A15 L16 | D14-A18 PolarHBondContact O-N 2.92Å; A15-A18 PolarHBondContact O-N 3.45Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.75Å |
| 19 | I | 60.2 | Low | 65.4 | Low | 82 Ų | 82 | 68.8 Ų | 68.8 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 175.1 | -66.8 | 162.7 | 0 | 0 | 0 | 110.6 | A15 L16 E21 E22 V23 | A15-I19 VanDerWaalsContact O-CG1 3.29Å; A15-I19 WeakPolarHBondContact O-CG1 3.38Å; A15-I19 PolarHBondContact O-N 3.07Å; A15-I19 VanDerWaalsContact O-N 3.08Å; L16-I19 HydrophobicContact CD2-CD1 4.04Å; L16-I19 CarbonylContact O-C 3.57Å; L16-I19 WeakPolarHBondContact O-CB 3.44Å; L16-I19 PolarHBondContact O-N 3.4Å; L16-I19 VanDerWaalsContact O-N 3.14Å; I19-E21 VanDerWaalsContact C-N 3.31Å; I19-E21 PolarHBondContact O-N 2.57Å; I19-E22 PolarHBondContact O-N 3.02Å; I19-V23 HydrophobicContact CG2-CG2 3.59Å; I19-V23 WeakPolarHBondContact O-CB 3.41Å; I19-V23 WeakPolarHBondContact O-CG2 3.49Å; I19-V23 PolarHBondContact O-N 3.15Å |
| 20 | D | 65.7 | Low | 66.4 | Low | 57 Ų | 57 | 67.8 Ų | 67.8 | 31% | 0.305 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.9 | -45.4 | 179.4 | -171.2 | 71.2 | 0 | 0 | 0 | 111.8 | L16 G17 V23 I24 I46 | L16-D20 PolarHBondContact O-N 3.25Å; G17-D20 PolarHBondContact O-N 3.24Å; D20-V23 PolarHBondContact O-N 3.16Å; D20-I24 WeakPolarHBondContact O-CB 3.37Å; D20-I24 WeakPolarHBondContact O-CD1 3.48Å; D20-I24 WeakPolarHBondContact O-CG1 3.43Å; D20-I24 PolarHBondContact O-N 3.31Å; D20-I24 VanDerWaalsContact OD2-CD1 3.29Å; D20-I24 WeakPolarHBondContact OD2-CD1 3.33Å; D20-I46 WeakPolarHBondContact OD1-CG2 3.33Å |
| 21 | E | 68.8 | Low | 67.5 | Low | 155 Ų | 155 | 69.3 Ų | 69.3 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.5 | -45.6 | 179.6 | -169.9 | 175.5 | -173.7 | 0 | 0 | 112.8 | I19 G25 | I19-E21 VanDerWaalsContact C-N 3.31Å; I19-E21 PolarHBondContact O-N 2.57Å; E21-G25 PolarHBondContact O-N 2.9Å; E21-G25 VanDerWaalsContact O-N 3.16Å |
| 22 | E | 69.2 | Low | 68.5 | Low | 141 Ų | 141 | 74.2 Ų | 74.2 | 66% | 0.659 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 178.5 | -174.6 | 175.5 | 176.3 | 0 | 0 | 111.2 | I19 G25 I26 | I19-E22 PolarHBondContact O-N 3.02Å; E22-G25 WeakPolarHBondContact O-CA 3.43Å; E22-G25 PolarHBondContact O-N 3.09Å; E22-G25 VanDerWaalsContact O-N 3.15Å; E22-I26 HydrophobicContact CG-CD1 4.37Å; E22-I26 WeakPolarHBondContact O-CG1 3.48Å; E22-I26 PolarHBondContact O-N 3.21Å |
| 23 | V | 68.5 | Low | 69.4 | Low | 24 Ų | 24 | 74.9 Ų | 74.9 | 15% | 0.145 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.7 | -37.7 | -177.5 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | I19 D20 G25 I26 V27 I42 I46 | I19-V23 HydrophobicContact CG2-CG2 3.59Å; I19-V23 WeakPolarHBondContact O-CB 3.41Å; I19-V23 WeakPolarHBondContact O-CG2 3.49Å; I19-V23 PolarHBondContact O-N 3.15Å; D20-V23 PolarHBondContact O-N 3.16Å; V23-G25 PolarHBondContact O-N 2.84Å; V23-I26 PolarHBondContact O-N 3.24Å; V23-I26 VanDerWaalsContact O-N 3.09Å; V23-V27 HydrophobicContact CG1-CG2 4.34Å; V23-V27 WeakPolarHBondContact O-CB 3.5Å; V23-V27 WeakPolarHBondContact O-CG2 3.29Å; V23-V27 PolarHBondContact O-N 3.44Å; V23-I42 HydrophobicContact CG1-CG2 3.1Å; V23-I46 HydrophobicContact CB-CD1 3.65Å; V23-I46 HydrophobicContact CB-CG1 4.01Å; V23-I46 HydrophobicContact CG1-CD1 3.12Å; V23-I46 HydrophobicContact CG1-CG1 3.46Å; V23-I46 VanDerWaalsContact CG1-CG1 3.46Å |
| 24 | I | 71.6 | Confident | 70.2 | Confident | 76 Ų | 76 | 76.3 Ų | 76.3 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56 | -40.7 | 169.5 | -72.7 | 166.1 | 0 | 0 | 0 | 110.4 | D20 V27 N28 | D20-I24 WeakPolarHBondContact O-CB 3.37Å; D20-I24 WeakPolarHBondContact O-CD1 3.48Å; D20-I24 WeakPolarHBondContact O-CG1 3.43Å; D20-I24 PolarHBondContact O-N 3.31Å; D20-I24 VanDerWaalsContact OD2-CD1 3.29Å; D20-I24 WeakPolarHBondContact OD2-CD1 3.33Å; I24-V27 PolarHBondContact O-N 3.44Å; I24-N28 WeakPolarHBondContact O-CB 3.17Å; I24-N28 PolarHBondContact O-N 3.39Å; I24-N28 PolarHBondContact O-ND2 3.08Å; I24-N28 VanDerWaalsContact O-ND2 3.16Å |
| 25 | G | 75.6 | Confident | 70.8 | Confident | 30 Ų | 30 | 72 Ų | 72 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E21 E22 V23 N28 I29 | E21-G25 PolarHBondContact O-N 2.9Å; E21-G25 VanDerWaalsContact O-N 3.16Å; E22-G25 WeakPolarHBondContact O-CA 3.43Å; E22-G25 PolarHBondContact O-N 3.09Å; E22-G25 VanDerWaalsContact O-N 3.15Å; V23-G25 PolarHBondContact O-N 2.84Å; G25-N28 PolarHBondContact O-N 2.88Å; G25-I29 VanDerWaalsContact O-CG1 3.3Å; G25-I29 WeakPolarHBondContact O-CG1 3.15Å; G25-I29 PolarHBondContact O-N 3.49Å |
| 26 | I | 75.7 | Confident | 71.2 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 35% | 0.354 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 178.4 | -65.2 | 167.7 | 0 | 0 | 0 | 111.3 | E22 V23 N28 I29 A30 F38 I42 | E22-I26 HydrophobicContact CG-CD1 4.37Å; E22-I26 WeakPolarHBondContact O-CG1 3.48Å; E22-I26 PolarHBondContact O-N 3.21Å; V23-I26 PolarHBondContact O-N 3.24Å; V23-I26 VanDerWaalsContact O-N 3.09Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 3.42Å; I26-I29 PolarHBondContact O-N 3.46Å; I26-A30 WeakPolarHBondContact O-CB 3.25Å; I26-A30 PolarHBondContact O-N 3.32Å; I26-F38 HydrophobicContact CG2-CE1 4.3Å; I26-I42 HydrophobicContact CG2-CD1 4.15Å |
| 27 | V | 70.3 | Confident | 71.8 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.018 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.9 | 166.8 | 0 | 0 | 0 | 0 | 110.8 | V23 I24 A30 K31 I42 E43 | V23-V27 HydrophobicContact CG1-CG2 4.34Å; V23-V27 WeakPolarHBondContact O-CB 3.5Å; V23-V27 WeakPolarHBondContact O-CG2 3.29Å; V23-V27 PolarHBondContact O-N 3.44Å; I24-V27 PolarHBondContact O-N 3.44Å; V27-A30 PolarHBondContact O-N 2.82Å; V27-K31 HydrophobicContact CG1-CD 4.26Å; V27-K31 WeakPolarHBondContact O-CG 3.48Å; V27-K31 PolarHBondContact O-N 3.39Å; V27-I42 HydrophobicContact CG2-CB 3.87Å; V27-I42 HydrophobicContact CG2-CG2 3.4Å; V27-I42 VanDerWaalsContact CG2-CG2 3.4Å; V27-E43 HydrophobicContact CG1-CG 3.71Å; V27-E43 VanDerWaalsContact CG1-OE1 3.25Å; V27-E43 WeakPolarHBondContact CG1-OE1 3.48Å; V27-E43 HydrophobicContact CG2-CG 4.05Å |
| 28 | N | 76.8 | Confident | 72.4 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.6 | -72.8 | -28.5 | 0 | 0 | 0 | 111.6 | I24 G25 I26 A30 K31 E32 | I24-N28 WeakPolarHBondContact O-CB 3.17Å; I24-N28 PolarHBondContact O-N 3.39Å; I24-N28 PolarHBondContact O-ND2 3.08Å; I24-N28 VanDerWaalsContact O-ND2 3.16Å; G25-N28 PolarHBondContact O-N 2.88Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 3.42Å; N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 3.47Å; N28-K31 PolarHBondContact O-N 3.13Å; N28-E32 WeakPolarHBondContact O-CG 3.3Å; N28-E32 PolarHBondContact O-N 3.45Å |
| 29 | I | 79 | Confident | 72.9 | Confident | 96 Ų | 96 | 78 Ų | 78 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 175.5 | -66.4 | 164.6 | 0 | 0 | 0 | 110.5 | G25 I26 K31 E32 L33 | G25-I29 VanDerWaalsContact O-CG1 3.3Å; G25-I29 WeakPolarHBondContact O-CG1 3.15Å; G25-I29 PolarHBondContact O-N 3.49Å; I26-I29 PolarHBondContact O-N 3.46Å; I29-K31 PolarHBondContact O-N 2.89Å; I29-E32 PolarHBondContact O-N 3.28Å; I29-L33 HydrophobicContact CG2-CD1 3.79Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CB 3.43Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.18Å |
| 30 | A | 75.1 | Confident | 73.7 | Confident | 10 Ų | 10 | 77.9 Ų | 77.9 | 8% | 0.083 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I26 V27 N28 L33 G34 G35 F38 | I26-A30 WeakPolarHBondContact O-CB 3.25Å; I26-A30 PolarHBondContact O-N 3.32Å; V27-A30 PolarHBondContact O-N 2.82Å; N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 3.47Å; A30-L33 CarbonylContact O-C 3.59Å; A30-L33 PolarHBondContact O-N 3.37Å; A30-G34 PolarHBondContact O-N 2.97Å; A30-G35 WeakPolarHBondContact O-CA 3.39Å; A30-G35 PolarHBondContact O-N 2.98Å; A30-F38 HydrophobicContact CB-CD1 3.66Å; A30-F38 HydrophobicContact CB-CE1 4.37Å |
| 31 | K | 77.7 | Confident | 74.2 | Confident | 90 Ų | 90 | 80 Ų | 80 | 39% | 0.391 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 174.4 | -73.9 | 177.8 | 176.4 | 175.3 | 0 | 111.5 | V27 N28 I29 L33 G34 S39 E43 | V27-K31 HydrophobicContact CG1-CD 4.26Å; V27-K31 WeakPolarHBondContact O-CG 3.48Å; V27-K31 PolarHBondContact O-N 3.39Å; N28-K31 PolarHBondContact O-N 3.13Å; I29-K31 PolarHBondContact O-N 2.89Å; K31-L33 VanDerWaalsContact C-N 3.28Å; K31-L33 PolarHBondContact O-N 3.4Å; K31-G34 PolarHBondContact O-N 2.98Å; K31-G34 VanDerWaalsContact O-N 3.09Å; K31-S39 WeakPolarHBondContact CG-OG 3.29Å; K31-E43 WeakPolarHBondContact CE-OE1 3.38Å; K31-E43 IonicContact NZ-OE1 2.57Å; K31-E43 PolarHBondContact NZ-OE1 2.92Å; K31-E43 IonicContact NZ-OE2 3.63Å |
| 32 | E | 80.1 | Confident | 74.5 | Confident | 166 Ų | 166 | 74 Ų | 74 | 78% | 0.776 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.8 | -34.9 | 176.5 | -74.8 | -174.3 | 172.1 | 0 | 0 | 112.8 | N28 I29 G34 | N28-E32 WeakPolarHBondContact O-CG 3.3Å; N28-E32 PolarHBondContact O-N 3.45Å; I29-E32 PolarHBondContact O-N 3.28Å; E32-G34 PolarHBondContact O-N 3.15Å |
| 33 | L | 82.4 | Confident | 74.6 | Confident | 145 Ų | 145 | 70.9 Ų | 70.9 | 76% | 0.759 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 5.2 | 177.2 | -66.1 | 176.1 | 0 | 0 | 0 | 113.7 | I29 A30 K31 G35 | I29-L33 HydrophobicContact CG2-CD1 3.79Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CB 3.43Å; I29-L33 VanDerWaalsContact O-CG 3.26Å; I29-L33 WeakPolarHBondContact O-CG 3.49Å; I29-L33 PolarHBondContact O-N 3.18Å; A30-L33 CarbonylContact O-C 3.59Å; A30-L33 PolarHBondContact O-N 3.37Å; K31-L33 VanDerWaalsContact C-N 3.28Å; K31-L33 PolarHBondContact O-N 3.4Å; L33-G35 VanDerWaalsContact C-N 3.26Å; L33-G35 PolarHBondContact O-N 3.2Å |
| 34 | G | 77.7 | Confident | 74.9 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 68% | 0.68 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 16.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A30 K31 E32 E36 | A30-G34 PolarHBondContact O-N 2.97Å; K31-G34 PolarHBondContact O-N 2.98Å; K31-G34 VanDerWaalsContact O-N 3.09Å; E32-G34 PolarHBondContact O-N 3.15Å; G34-E36 PolarHBondContact O-N 2.68Å |
| 35 | G | 71.8 | Confident | 74.8 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 27% | 0.268 | 42% | 0.422 | S | S | . | . | trans | -84.7 | 48.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A30 L33 G37 F38 S39 | A30-G35 WeakPolarHBondContact O-CA 3.39Å; A30-G35 PolarHBondContact O-N 2.98Å; L33-G35 VanDerWaalsContact C-N 3.26Å; L33-G35 PolarHBondContact O-N 3.2Å; G35-G37 VanDerWaalsContact C-N 3.26Å; G35-G37 PolarHBondContact O-N 3.47Å; G35-F38 WeakPolarHBondContact O-CA 3.45Å; G35-F38 WeakPolarHBondContact O-CB 3.41Å; G35-F38 PolarHBondContact O-N 3.14Å; G35-S39 PolarHBondContact O-N 3.29Å; G35-S39 VanDerWaalsContact O-N 3.07Å; G35-S39 PolarHBondContact O-OG 3.45Å | ||
| 36 | E | 70.5 | Confident | 74.6 | Confident | 144 Ų | 144 | 76 Ų | 76 | 67% | 0.673 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.7 | -39.7 | -174.4 | -159.4 | 161.5 | -177.8 | 0 | 0 | 111.9 | G34 F38 S39 D40 | G34-E36 PolarHBondContact O-N 2.68Å; E36-F38 VanDerWaalsContact C-N 3.31Å; E36-F38 PolarHBondContact O-N 3.08Å; E36-S39 WeakPolarHBondContact CA-OG 3.44Å; E36-S39 PolarHBondContact O-N 2.84Å; E36-S39 PolarHBondContact O-OG 3.05Å; E36-D40 VanDerWaalsContact O-CG 3.27Å; E36-D40 PolarHBondContact O-N 3.3Å |
| 37 | G | 71.3 | Confident | 74.4 | Confident | 55 Ų | 55 | 79.3 Ų | 79.3 | 57% | 0.567 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -70 | -22.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G35 T41 | G35-G37 VanDerWaalsContact C-N 3.26Å; G35-G37 PolarHBondContact O-N 3.47Å; G37-T41 PolarHBondContact O-OG1 2.98Å; G37-T41 VanDerWaalsContact O-OG1 3.13Å |
| 38 | F | 71.3 | Confident | 74.5 | Confident | 120 Ų | 120 | 86.1 Ų | 86.1 | 53% | 0.526 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.2 | -40.5 | 175.6 | -177.1 | -102.5 | 0 | 0 | 0 | 110.9 | I26 A30 G35 E36 D40 T41 I42 | I26-F38 HydrophobicContact CG2-CE1 4.3Å; A30-F38 HydrophobicContact CB-CD1 3.66Å; A30-F38 HydrophobicContact CB-CE1 4.37Å; G35-F38 WeakPolarHBondContact O-CA 3.45Å; G35-F38 WeakPolarHBondContact O-CB 3.41Å; G35-F38 PolarHBondContact O-N 3.14Å; E36-F38 VanDerWaalsContact C-N 3.31Å; E36-F38 PolarHBondContact O-N 3.08Å; F38-D40 VanDerWaalsContact C-N 3.32Å; F38-D40 PolarHBondContact O-N 3.01Å; F38-T41 PolarHBondContact O-N 2.8Å; F38-I42 HydrophobicContact CD1-CD1 3.8Å; F38-I42 HydrophobicContact CE1-CD1 3.18Å; F38-I42 HydrophobicContact CE1-CG1 4.26Å; F38-I42 HydrophobicContact CE2-CD1 4.14Å; F38-I42 HydrophobicContact CZ-CD1 3.39Å; F38-I42 HydrophobicContact CZ-CG1 4.33Å; F38-I42 PolarHBondContact O-N 3.27Å |
| 39 | S | 71.9 | Confident | 74 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 175.9 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | K31 G35 E36 T41 I42 E43 | K31-S39 WeakPolarHBondContact CG-OG 3.29Å; G35-S39 PolarHBondContact O-N 3.29Å; G35-S39 VanDerWaalsContact O-N 3.07Å; G35-S39 PolarHBondContact O-OG 3.45Å; E36-S39 WeakPolarHBondContact CA-OG 3.44Å; E36-S39 PolarHBondContact O-N 2.84Å; E36-S39 PolarHBondContact O-OG 3.05Å; S39-T41 VanDerWaalsContact C-N 3.32Å; S39-T41 PolarHBondContact O-N 3.22Å; S39-I42 PolarHBondContact O-N 3.34Å; S39-E43 WeakPolarHBondContact O-CG 3.46Å; S39-E43 PolarHBondContact O-N 3.4Å |
| 40 | D | 76.3 | Confident | 73.4 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | -178.1 | -64.8 | -10.5 | 0 | 0 | 0 | 111.5 | E36 F38 I42 E43 D44 | E36-D40 VanDerWaalsContact O-CG 3.27Å; E36-D40 PolarHBondContact O-N 3.3Å; F38-D40 VanDerWaalsContact C-N 3.32Å; F38-D40 PolarHBondContact O-N 3.01Å; D40-I42 VanDerWaalsContact C-N 3.31Å; D40-I42 PolarHBondContact O-N 2.89Å; D40-E43 PolarHBondContact O-N 2.83Å; D40-D44 WeakPolarHBondContact O-CB 3.14Å; D40-D44 PolarHBondContact O-N 2.79Å; D40-D44 VanDerWaalsContact O-N 3.08Å |
| 41 | T | 76.9 | Confident | 73 | Confident | 100 Ų | 100 | 89.1 Ų | 89.1 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | G37 F38 S39 Y45 | G37-T41 PolarHBondContact O-OG1 2.98Å; G37-T41 VanDerWaalsContact O-OG1 3.13Å; F38-T41 PolarHBondContact O-N 2.8Å; S39-T41 VanDerWaalsContact C-N 3.32Å; S39-T41 PolarHBondContact O-N 3.22Å; T41-Y45 WeakPolarHBondContact O-CB 3.03Å; T41-Y45 PolarHBondContact O-N 2.91Å |
| 42 | I | 74.3 | Confident | 72.4 | Confident | 30 Ų | 30 | 90 Ų | 90 | 15% | 0.154 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -74.9 | -44.4 | 180 | -69 | -173 | 0 | 0 | 0 | 111.1 | V23 I26 V27 F38 S39 D40 D44 Y45 I46 | V23-I42 HydrophobicContact CG1-CG2 3.1Å; I26-I42 HydrophobicContact CG2-CD1 4.15Å; V27-I42 HydrophobicContact CG2-CB 3.87Å; V27-I42 HydrophobicContact CG2-CG2 3.4Å; V27-I42 VanDerWaalsContact CG2-CG2 3.4Å; F38-I42 HydrophobicContact CD1-CD1 3.8Å; F38-I42 HydrophobicContact CE1-CD1 3.18Å; F38-I42 HydrophobicContact CE1-CG1 4.26Å; F38-I42 HydrophobicContact CE2-CD1 4.14Å; F38-I42 HydrophobicContact CZ-CD1 3.39Å; F38-I42 HydrophobicContact CZ-CG1 4.33Å; F38-I42 PolarHBondContact O-N 3.27Å; S39-I42 PolarHBondContact O-N 3.34Å; D40-I42 VanDerWaalsContact C-N 3.31Å; D40-I42 PolarHBondContact O-N 2.89Å; I42-D44 VanDerWaalsContact C-N 3.29Å; I42-D44 PolarHBondContact O-N 3.46Å; I42-Y45 WeakPolarHBondContact O-CB 3.29Å; I42-Y45 PolarHBondContact O-N 3.11Å; I42-Y45 VanDerWaalsContact O-N 3.15Å; I42-I46 HydrophobicContact CG2-CD1 4.07Å; I42-I46 HydrophobicContact CG2-CG1 4.29Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.4Å; I42-I46 PolarHBondContact O-N 3.41Å |
| 43 | E | 72.6 | Confident | 71.8 | Confident | 75 Ų | 75 | 84.3 Ų | 84.3 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 177.3 | -76.5 | -175.1 | 171.3 | 0 | 0 | 111.5 | V27 K31 S39 D40 I46 R47 | V27-E43 HydrophobicContact CG1-CG 3.71Å; V27-E43 VanDerWaalsContact CG1-OE1 3.25Å; V27-E43 WeakPolarHBondContact CG1-OE1 3.48Å; V27-E43 HydrophobicContact CG2-CG 4.05Å; K31-E43 WeakPolarHBondContact CE-OE1 3.38Å; K31-E43 IonicContact NZ-OE1 2.57Å; K31-E43 PolarHBondContact NZ-OE1 2.92Å; K31-E43 IonicContact NZ-OE2 3.63Å; S39-E43 WeakPolarHBondContact O-CG 3.46Å; S39-E43 PolarHBondContact O-N 3.4Å; D40-E43 PolarHBondContact O-N 2.83Å; E43-I46 PolarHBondContact O-N 3.13Å; E43-R47 WeakPolarHBondContact O-CB 2.97Å; E43-R47 PolarHBondContact O-N 3.19Å |
| 44 | D | 74.4 | Confident | 71 | Confident | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.4 | -79.5 | -13.9 | 0 | 0 | 0 | 112.2 | D40 I42 R47 E48 | D40-D44 WeakPolarHBondContact O-CB 3.14Å; D40-D44 PolarHBondContact O-N 2.79Å; D40-D44 VanDerWaalsContact O-N 3.08Å; I42-D44 VanDerWaalsContact C-N 3.29Å; I42-D44 PolarHBondContact O-N 3.46Å; D44-R47 PolarHBondContact O-N 2.77Å; D44-R47 IonicContact OD1-CZ 2.98Å; D44-R47 IonicContact OD1-NH1 2.86Å; D44-R47 PolarHBondContact OD1-NH1 3.32Å; D44-R47 IonicContact OD1-NH2 2.68Å; D44-R47 PolarHBondContact OD1-NH2 2.9Å; D44-E48 WeakPolarHBondContact O-CB 3.47Å; D44-E48 PolarHBondContact O-N 3.48Å |
| 45 | Y | 70.2 | Confident | 70.6 | Confident | 142 Ų | 142 | 84.1 Ų | 84.1 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 176.4 | 175.7 | -99.1 | 0 | 0 | 0 | 112.2 | T41 I42 E48 H49 | T41-Y45 WeakPolarHBondContact O-CB 3.03Å; T41-Y45 PolarHBondContact O-N 2.91Å; I42-Y45 WeakPolarHBondContact O-CB 3.29Å; I42-Y45 PolarHBondContact O-N 3.11Å; I42-Y45 VanDerWaalsContact O-N 3.15Å; Y45-E48 PolarHBondContact O-N 2.04Å; Y45-H49 AromaticContact CD2-CE1 3.53Å; Y45-H49 AromaticContact CD2-ND1 3.71Å; Y45-H49 AromaticContact CE2-CE1 3.14Å; Y45-H49 WeakPolarHBondContact CE2-CE1 3.21Å; Y45-H49 AromaticContact CE2-ND1 3.57Å; Y45-H49 AromaticContact CE2-NE2 3.64Å; Y45-H49 AromaticContact CZ-CE1 3.76Å; Y45-H49 AromaticContact CZ-ND1 3.9Å; Y45-H49 AromaticContact CZ-NE2 3.95Å; Y45-H49 PolarHBondContact O-N 2.94Å; Y45-H49 PolarHBondContact O-ND1 3.38Å |
| 46 | I | 70.5 | Confident | 70.2 | Confident | 16 Ų | 16 | 88 Ų | 88 | 8% | 0.082 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.4 | -51.8 | 176 | -60.7 | 163.2 | 0 | 0 | 0 | 109.2 | D20 V23 I42 E43 E48 H49 T50 | D20-I46 WeakPolarHBondContact OD1-CG2 3.33Å; V23-I46 HydrophobicContact CB-CD1 3.65Å; V23-I46 HydrophobicContact CB-CG1 4.01Å; V23-I46 HydrophobicContact CG1-CD1 3.12Å; V23-I46 HydrophobicContact CG1-CG1 3.46Å; V23-I46 VanDerWaalsContact CG1-CG1 3.46Å; I42-I46 HydrophobicContact CG2-CD1 4.07Å; I42-I46 HydrophobicContact CG2-CG1 4.29Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.4Å; I42-I46 PolarHBondContact O-N 3.41Å; E43-I46 PolarHBondContact O-N 3.13Å; I46-E48 VanDerWaalsContact C-N 3.25Å; I46-E48 PolarHBondContact O-N 3.47Å; I46-H49 PolarHBondContact O-N 3.26Å; I46-T50 HydrophobicContact CG2-CG2 3.69Å; I46-T50 WeakPolarHBondContact O-CG2 3.32Å; I46-T50 PolarHBondContact O-N 3.15Å; I46-T50 PolarHBondContact O-OG1 3.42Å |
| 47 | R | 71.4 | Confident | 70.1 | Confident | 138 Ų | 138 | 86.6 Ų | 86.6 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.7 | -44.6 | -177.3 | -174.6 | 177.2 | 68 | -129.9 | -6.2 | 111 | E43 D44 H49 E51 | E43-R47 WeakPolarHBondContact O-CB 2.97Å; E43-R47 PolarHBondContact O-N 3.19Å; D44-R47 PolarHBondContact O-N 2.77Å; D44-R47 IonicContact OD1-CZ 2.98Å; D44-R47 IonicContact OD1-NH1 2.86Å; D44-R47 PolarHBondContact OD1-NH1 3.32Å; D44-R47 IonicContact OD1-NH2 2.68Å; D44-R47 PolarHBondContact OD1-NH2 2.9Å; R47-H49 VanDerWaalsContact C-N 3.27Å; R47-H49 PolarHBondContact O-N 3.2Å; R47-E51 WeakPolarHBondContact O-CB 2.92Å; R47-E51 PolarHBondContact O-N 3.03Å |
| 48 | E | 72 | Confident | 70.3 | Confident | 147 Ų | 147 | 87.4 Ų | 87.4 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.4 | -37.5 | 177.7 | -174.9 | 174.7 | -159.2 | 0 | 0 | 112.8 | D44 Y45 I46 | D44-E48 WeakPolarHBondContact O-CB 3.47Å; D44-E48 PolarHBondContact O-N 3.48Å; Y45-E48 PolarHBondContact O-N 2.04Å; I46-E48 VanDerWaalsContact C-N 3.25Å; I46-E48 PolarHBondContact O-N 3.47Å |
| 49 | H | 66.2 | Low | 70.7 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 38% | 0.375 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -91.1 | -30.5 | -174.8 | -69.4 | 71.3 | 0 | 0 | 0 | 113.5 | Y45 I46 R47 | Y45-H49 AromaticContact CD2-CE1 3.53Å; Y45-H49 AromaticContact CD2-ND1 3.71Å; Y45-H49 AromaticContact CE2-CE1 3.14Å; Y45-H49 WeakPolarHBondContact CE2-CE1 3.21Å; Y45-H49 AromaticContact CE2-ND1 3.57Å; Y45-H49 AromaticContact CE2-NE2 3.64Å; Y45-H49 AromaticContact CZ-CE1 3.76Å; Y45-H49 AromaticContact CZ-ND1 3.9Å; Y45-H49 AromaticContact CZ-NE2 3.95Å; Y45-H49 PolarHBondContact O-N 2.94Å; Y45-H49 PolarHBondContact O-ND1 3.38Å; I46-H49 PolarHBondContact O-N 3.26Å; R47-H49 VanDerWaalsContact C-N 3.27Å; R47-H49 PolarHBondContact O-N 3.2Å |
| 50 | T | 66.5 | Low | 71 | Confident | 33 Ų | 33 | 94.2 Ų | 94.2 | 20% | 0.202 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -97.1 | -23.3 | -175.6 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | L16 I46 N52 C53 | L16-T50 HydrophobicContact CB-CG2 4.31Å; I46-T50 HydrophobicContact CG2-CG2 3.69Å; I46-T50 WeakPolarHBondContact O-CG2 3.32Å; I46-T50 PolarHBondContact O-N 3.15Å; I46-T50 PolarHBondContact O-OG1 3.42Å; T50-N52 PolarHBondContact O-N 3.4Å; T50-N52 VanDerWaalsContact O-N 3.13Å; T50-C53 WeakPolarHBondContact O-CB 3.22Å; T50-C53 PolarHBondContact O-N 3.37Å |
| 51 | E | 66.7 | Low | 70.8 | Confident | 136 Ų | 136 | 94.6 Ų | 94.6 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.6 | -176.9 | -176.7 | 170.7 | -164.8 | 0 | 0 | 112.2 | R47 C53 | R47-E51 WeakPolarHBondContact O-CB 2.92Å; R47-E51 PolarHBondContact O-N 3.03Å; E51-C53 VanDerWaalsContact C-N 3.29Å; E51-C53 PolarHBondContact O-N 2.86Å |
| 52 | N | 65.9 | Low | 70.5 | Confident | 110 Ų | 110 | 92.9 Ų | 92.9 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.6 | 177.3 | -162.8 | 53.7 | 0 | 0 | 0 | 113.2 | T50 G54 K55 | T50-N52 PolarHBondContact O-N 3.4Å; T50-N52 VanDerWaalsContact O-N 3.13Å; N52-G54 PolarHBondContact O-N 3.41Å; N52-K55 PolarHBondContact O-N 3.48Å |
| 53 | C | 67.9 | Low | 70.6 | Confident | 46 Ų | 46 | 97 Ų | 97 | 31% | 0.311 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -30 | -178.1 | -75.1 | 0 | 0 | 0 | 0 | 113.8 | C13 T50 E51 | C13-C53 WeakPolarHBondContact CA-SG 3.43Å; C13-C53 HydrophobicContact CB-CB 3.52Å; C13-C53 WeakPolarHBondContact CB-SG 3.13Å; C13-C53 WeakPolarHBondContact SG-CA 3.33Å; C13-C53 WeakPolarHBondContact SG-CB 3.04Å; C13-C53 CovalentContact SG-SG 2.04Å; C13-C53 PolarHBondContact SG-SG 3.22Å; T50-C53 WeakPolarHBondContact O-CB 3.22Å; T50-C53 PolarHBondContact O-N 3.37Å; E51-C53 VanDerWaalsContact C-N 3.29Å; E51-C53 PolarHBondContact O-N 2.86Å |
| 54 | G | 64.3 | Low | 70.7 | Confident | 74 Ų | 74 | 97.7 Ų | 97.7 | 76% | 0.763 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -13.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N52 | N52-G54 PolarHBondContact O-N 3.41Š|
| 55 | K | 70.1 | Confident | 70.4 | Confident | 132 Ų | 132 | 95.8 Ų | 95.8 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -82.4 | 128.6 | -174.5 | -169.4 | 177.7 | 177.6 | -176.8 | 0 | 109.8 | N52 F57 | N52-K55 PolarHBondContact O-N 3.48Å; K55-F57 PolarHBondContact O-N 2.95Å |
| 56 | P | 63.8 | Low | 70.3 | Confident | 109 Ų | 109 | 94.1 Ų | 94.1 | 71% | 0.708 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 137 | 173.1 | 25.5 | -32.9 | 0 | 0 | 0 | 110 | ||
| 57 | F | 68.3 | Low | 70.3 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 141 | 172.4 | -67.7 | -82.2 | 0 | 0 | 0 | 110.4 | P9 K55 E61 | P9-F57 HydrophobicContact CB-CZ 4.42Å; K55-F57 PolarHBondContact O-N 2.95Å; F57-E61 HydrophobicContact CD1-CB 4.25Å |
| 58 | T | 75.2 | Confident | 70 | Confident | 73 Ų | 73 | 95.7 Ų | 95.7 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 159.1 | 167.6 | 70.9 | 0 | 0 | 0 | 0 | 109.2 | E60 E61 L62 | T58-E60 PolarHBondContact O-N 3.25Å; T58-E61 PolarHBondContact O-N 3.41Å; T58-E61 WeakPolarHBondContact OG1-CG 3.41Å; T58-E61 PolarHBondContact OG1-N 3.39Å; T58-L62 PolarHBondContact O-N 3.02Å |
| 59 | N | 78.5 | Confident | 69.3 | Low | 143 Ų | 143 | 92.2 Ų | 92.2 | 77% | 0.765 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.9 | -35.9 | 178.6 | -72.6 | 6.6 | 0 | 0 | 0 | 112.7 | E63 | N59-E63 WeakPolarHBondContact O-CB 3.42Å; N59-E63 PolarHBondContact O-N 3.02Å |
| 60 | E | 78.7 | Confident | 68.9 | Low | 119 Ų | 119 | 93.6 Ų | 93.6 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.2 | -43.8 | 178.1 | -171.6 | -171.6 | 154.1 | 0 | 0 | 111.8 | T58 L62 E63 K64 | T58-E60 PolarHBondContact O-N 3.25Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-E63 PolarHBondContact O-N 3.19Å; E60-K64 WeakPolarHBondContact O-CG 3.34Å; E60-K64 PolarHBondContact O-N 3.46Å; E60-K64 VanDerWaalsContact OE1-CE 3.29Å; E60-K64 WeakPolarHBondContact OE1-CE 3.29Å; E60-K64 IonicContact OE1-NZ 3.16Å; E60-K64 PolarHBondContact OE1-NZ 2.92Å |
| 61 | E | 72.9 | Confident | 68.3 | Low | 89 Ų | 89 | 97 Ų | 97 | 42% | 0.416 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 177.7 | -66.3 | -58.4 | 115.4 | 0 | 0 | 111.3 | F57 T58 K64 L65 | F57-E61 HydrophobicContact CD1-CB 4.25Å; T58-E61 PolarHBondContact O-N 3.41Å; T58-E61 WeakPolarHBondContact OG1-CG 3.41Å; T58-E61 PolarHBondContact OG1-N 3.39Å; E61-K64 PolarHBondContact O-N 3.43Å; E61-K64 IonicContact OE1-NZ 2.78Å; E61-K64 PolarHBondContact OE1-NZ 3.2Å; E61-L65 WeakPolarHBondContact O-CB 3.35Å; E61-L65 PolarHBondContact O-N 3.19Å |
| 62 | L | 70.7 | Confident | 67.8 | Low | 65 Ų | 65 | 95.3 Ų | 95.3 | 34% | 0.34 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 173.6 | -176.2 | 64.7 | 0 | 0 | 0 | 111.8 | T58 E60 L65 M66 | T58-L62 PolarHBondContact O-N 3.02Å; E60-L62 VanDerWaalsContact C-N 3.34Å; L62-L65 PolarHBondContact O-N 3.45Å; L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 3.33Å |
| 63 | E | 75.8 | Confident | 67.4 | Low | 115 Ų | 115 | 97.2 Ų | 97.2 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.3 | -171.6 | 179.7 | 174.6 | 0 | 0 | 111.6 | N59 E60 L65 M66 Q67 | N59-E63 WeakPolarHBondContact O-CB 3.42Å; N59-E63 PolarHBondContact O-N 3.02Å; E60-E63 PolarHBondContact O-N 3.19Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 3Å; E63-M66 PolarHBondContact O-N 2.97Å; E63-Q67 WeakPolarHBondContact O-CG 3.46Å; E63-Q67 PolarHBondContact O-N 3.17Å; E63-Q67 PolarHBondContact OE1-NE2 2.78Å |
| 64 | K | 74.2 | Confident | 66.8 | Low | 91 Ų | 91 | 101.8 Ų | 101.8 | 40% | 0.396 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.5 | -43.4 | 174.5 | -74.8 | 170.8 | -170.5 | 160.6 | 0 | 112 | E60 E61 M66 Q67 S68 | E60-K64 WeakPolarHBondContact O-CG 3.34Å; E60-K64 PolarHBondContact O-N 3.46Å; E60-K64 VanDerWaalsContact OE1-CE 3.29Å; E60-K64 WeakPolarHBondContact OE1-CE 3.29Å; E60-K64 IonicContact OE1-NZ 3.16Å; E60-K64 PolarHBondContact OE1-NZ 2.92Å; E61-K64 PolarHBondContact O-N 3.43Å; E61-K64 IonicContact OE1-NZ 2.78Å; E61-K64 PolarHBondContact OE1-NZ 3.2Å; K64-M66 VanDerWaalsContact C-N 3.32Å; K64-M66 PolarHBondContact O-N 2.94Å; K64-Q67 PolarHBondContact O-N 2.99Å; K64-S68 PolarHBondContact O-N 3.35Å; K64-S68 PolarHBondContact O-OG 3.44Å |
| 65 | L | 68.1 | Low | 66.3 | Low | 39 Ų | 39 | 105.5 Ų | 105.5 | 20% | 0.204 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -62.8 | -38.8 | 177.4 | -171 | 76.1 | 0 | 0 | 0 | 112 | P9 E61 L62 E63 S68 T69 | P9-L65 HydrophobicContact CB-CD1 4.44Å; P9-L65 HydrophobicContact CG-CD1 4Å; P9-L65 HydrophobicContact CG-CD2 3.99Å; E61-L65 WeakPolarHBondContact O-CB 3.35Å; E61-L65 PolarHBondContact O-N 3.19Å; L62-L65 PolarHBondContact O-N 3.45Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 3Å; L65-S68 PolarHBondContact O-OG 3.11Å; L65-T69 PolarHBondContact O-N 3.38Å; L65-T69 PolarHBondContact O-OG1 2.94Å |
| 66 | M | 68.6 | Low | 65.9 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 53% | 0.527 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.2 | -35.5 | 174.6 | -69 | -175.5 | 70.7 | 0 | 0 | 112.2 | L62 E63 K64 T70 | L62-M66 WeakPolarHBondContact O-CG 3.35Å; L62-M66 PolarHBondContact O-N 3.33Å; E63-M66 PolarHBondContact O-N 2.97Å; K64-M66 VanDerWaalsContact C-N 3.32Å; K64-M66 PolarHBondContact O-N 2.94Å; M66-T70 PolarHBondContact O-N 3.12Å; M66-T70 PolarHBondContact O-OG1 3.34Å; M66-T70 VanDerWaalsContact O-OG1 3.12Å |
| 67 | Q | 71.1 | Confident | 65.8 | Low | 114 Ų | 114 | 108 Ų | 108 | 53% | 0.533 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.8 | -41 | 178.8 | -72.8 | 176.8 | 0.8 | 0 | 0 | 112.6 | E63 K64 T69 T70 S71 | E63-Q67 WeakPolarHBondContact O-CG 3.46Å; E63-Q67 PolarHBondContact O-N 3.17Å; E63-Q67 PolarHBondContact OE1-NE2 2.78Å; K64-Q67 PolarHBondContact O-N 2.99Å; Q67-T69 PolarHBondContact O-N 3.49Å; Q67-T70 PolarHBondContact O-N 3.36Å; Q67-T70 VanDerWaalsContact O-N 3.11Å; Q67-S71 PolarHBondContact O-N 3.2Å |
| 68 | S | 63.7 | Low | 65.3 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 51% | 0.51 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.8 | -32.1 | 178.1 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | K64 L65 | K64-S68 PolarHBondContact O-N 3.35Å; K64-S68 PolarHBondContact O-OG 3.44Å; L65-S68 PolarHBondContact O-OG 3.11Å |
| 69 | T | 57.7 | Low | 64.4 | Low | 75 Ų | 75 | 109.6 Ų | 109.6 | 46% | 0.46 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.9 | -33.8 | 176.5 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | L5 L65 Q67 S71 | L5-T69 HydrophobicContact CD2-CG2 4.32Å; L65-T69 PolarHBondContact O-N 3.38Å; L65-T69 PolarHBondContact O-OG1 2.94Å; Q67-T69 PolarHBondContact O-N 3.49Å; T69-S71 VanDerWaalsContact C-N 3.27Å; T69-S71 PolarHBondContact O-N 3.3Å |
| 70 | T | 58.4 | Low | 63.6 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.9 | -19.2 | -178.2 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | M66 Q67 S72 | M66-T70 PolarHBondContact O-N 3.12Å; M66-T70 PolarHBondContact O-OG1 3.34Å; M66-T70 VanDerWaalsContact O-OG1 3.12Å; Q67-T70 PolarHBondContact O-N 3.36Å; Q67-T70 VanDerWaalsContact O-N 3.11Å; T70-S72 PolarHBondContact O-N 3.46Å |
| 71 | S | 54.9 | Low | 62.6 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 7.8 | -175.2 | 98.3 | 0 | 0 | 0 | 0 | 115.1 | Q67 T69 | Q67-S71 PolarHBondContact O-N 3.2Å; T69-S71 VanDerWaalsContact C-N 3.27Å; T69-S71 PolarHBondContact O-N 3.3Å |
| 72 | S | 56.1 | Low | 61.6 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 6.3 | -178.2 | -156.8 | 0 | 0 | 0 | 0 | 115.2 | T70 | T70-S72 PolarHBondContact O-N 3.46Š|
| 73 | D | 56.1 | Low | 61.1 | Low | 151 Ų | 151 | 113.7 Ų | 113.7 | 81% | 0.807 | 69% | 0.691 | S | S | * | * | trans | -110.3 | 36.6 | -176.8 | -103.1 | -26 | 0 | 0 | 0 | 113 | ||||
| 74 | D | 55.3 | Low | 60.4 | Low | 142 Ų | 142 | 113.6 Ų | 113.6 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | trans | -123.4 | 32.5 | 173.9 | -139.3 | 4.6 | 0 | 0 | 0 | 113.5 | V76 | D74-V76 PolarHBondContact O-N 2.87Š| ||
| 75 | D | 54.9 | Low | 59.6 | Low | 152 Ų | 152 | 114.9 Ų | 114.9 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -87.6 | 57.3 | 153.6 | -74.9 | -40.5 | 0 | 0 | 0 | 109 | M77 | D75-M77 PolarHBondContact O-N 3.34Š| ||
| 76 | V | 60.8 | Low | 59.1 | Low | 119 Ų | 119 | 119.4 Ų | 119.4 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | -65.6 | 95.5 | 162.4 | 156.8 | 0 | 0 | 0 | 0 | 106.7 | D74 G78 | D74-V76 PolarHBondContact O-N 2.87Å; V76-G78 VanDerWaalsContact C-N 3.35Å; V76-G78 PolarHBondContact O-N 2.89Å | ||
| 77 | M | 62.2 | Low | 58.5 | Low | 173 Ų | 173 | 120.1 Ų | 120.1 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | -52.1 | 99.3 | 167.2 | -75.1 | -175.5 | -72.5 | 0 | 0 | 108.9 | D75 D79 | D75-M77 PolarHBondContact O-N 3.34Å; M77-D79 PolarHBondContact O-N 2.85Å | ||
| 78 | G | 57.7 | Low | 57.7 | Low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -70.1 | 75.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V76 | V76-G78 VanDerWaalsContact C-N 3.35Å; V76-G78 PolarHBondContact O-N 2.89Å | ||
| 79 | D | 56.2 | Low | 57.2 | Low | 146 Ų | 146 | 123.9 Ų | 123.9 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -128.8 | 74.4 | 162.4 | -164.3 | 33.8 | 0 | 0 | 0 | 109.2 | M77 | M77-D79 PolarHBondContact O-N 2.85Š| ||
| 80 | T | 61.1 | Low | 57.2 | Low | 141 Ų | 141 | 127.7 Ų | 127.7 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -104.5 | 93.4 | 167.6 | 52.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 81 | G | 58.5 | Low | 57.1 | Low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 83% | 0.831 | S | S | * | * | trans | 90.2 | 97.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 82 | A | 51.5 | Low | 57.3 | Low | 183 Ų | 183 | 131.4 Ų | 131.4 | 100% | 1.512 | 84% | 0.84 | S | S | * | * | 24.1 | 0 | 123.5 | 0 | 0 | 0 | 0 | 0 | 119.1 |
Retrieved 82 of 82 residues in 118.3 ms
(Link to these results)