| 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 | 37.2 | Very low | 43.4 | Very low | 123 Ų | 123 | 69.4 Ų | 69.4 | 61% | 0.606 | 39% | 0.388 | S | S | * | . | 0 | -50.6 | 0 | -65.2 | -169.8 | 103.8 | 0 | 0 | 112.1 | S3 D4 C5 | M1-S3 PolarHBondContact N-OG 3.43Å; M1-S3 PolarHBondContact O-N 3.48Å; M1-D4 PolarHBondContact O-N 3.13Å; M1-C5 PolarHBondContact O-N 3.48Å | |||
| 2 | T | 40.9 | Very low | 43.5 | Very low | 93 Ų | 93 | 66.5 Ų | 66.5 | 57% | 0.571 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.8 | -38 | 169.8 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | C5 A6 L121 | T2-C5 PolarHBondContact O-N 3Å; T2-A6 PolarHBondContact O-N 3.41Å; T2-A6 VanDerWaalsContact O-N 3.1Å; T2-L121 HydrophobicContact CG2-CD1 3.98Å; T2-L121 HydrophobicContact CG2-CD2 3.52Å; T2-L121 HydrophobicContact CG2-CG 4.4Å |
| 3 | S | 43.4 | Very low | 43.7 | Very low | 52 Ų | 52 | 63.8 Ų | 63.8 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.9 | -51.4 | 174.9 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | M1 C5 A6 I7 | M1-S3 PolarHBondContact N-OG 3.43Å; M1-S3 PolarHBondContact O-N 3.48Å; S3-C5 PolarHBondContact O-N 3.47Å; S3-A6 PolarHBondContact O-N 3.13Å; S3-I7 WeakPolarHBondContact O-CD1 2.99Å; S3-I7 VanDerWaalsContact O-CG1 3.29Å; S3-I7 WeakPolarHBondContact O-CG1 3.46Å; S3-I7 PolarHBondContact O-N 3.36Å |
| 4 | D | 40.1 | Very low | 43.8 | Very low | 100 Ų | 100 | 67.2 Ų | 67.2 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.9 | -30.6 | -178.3 | -57.1 | -44.4 | 0 | 0 | 0 | 111.3 | M1 S8 | M1-D4 PolarHBondContact O-N 3.13Å; D4-S8 VanDerWaalsContact O-CB 3.29Å; D4-S8 WeakPolarHBondContact O-CB 3.1Å; D4-S8 PolarHBondContact O-N 2.93Å; D4-S8 PolarHBondContact O-OG 3.44Å |
| 5 | C | 47.1 | Very low | 44 | Very low | 12 Ų | 12 | 76.6 Ų | 76.6 | 8% | 0.081 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -71.5 | -47.1 | 177.4 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | M1 T2 S3 I7 S8 L9 T118 | M1-C5 PolarHBondContact O-N 3.48Å; T2-C5 PolarHBondContact O-N 3Å; S3-C5 PolarHBondContact O-N 3.47Å; C5-I7 VanDerWaalsContact C-N 3.3Å; C5-I7 PolarHBondContact O-N 2.79Å; C5-S8 PolarHBondContact O-N 3.43Å; C5-L9 WeakPolarHBondContact O-CB 3.31Å; C5-L9 VanDerWaalsContact O-CG 3.28Å; C5-L9 WeakPolarHBondContact O-CG 3.16Å; C5-L9 PolarHBondContact O-N 3Å; C5-T118 HydrophobicContact CB-CG2 4.4Å; C5-T118 WeakPolarHBondContact CB-OG1 3.25Å; C5-T118 PolarHBondContact SG-OG1 3.21Å |
| 6 | A | 45 | Very low | 43.9 | Very low | 48 Ų | 48 | 78.9 Ų | 78.9 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T2 S3 S8 L9 L10 | T2-A6 PolarHBondContact O-N 3.41Å; T2-A6 VanDerWaalsContact O-N 3.1Å; S3-A6 PolarHBondContact O-N 3.13Å; A6-S8 PolarHBondContact O-N 3.01Å; A6-L9 PolarHBondContact O-N 3.47Å; A6-L10 WeakPolarHBondContact O-CB 3.43Å; A6-L10 WeakPolarHBondContact O-CD1 3.49Å; A6-L10 WeakPolarHBondContact O-CG 3.35Å; A6-L10 PolarHBondContact O-N 3.01Å; A6-L10 VanDerWaalsContact O-N 3.11Å |
| 7 | I | 44.1 | Very low | 43.9 | Very low | 77 Ų | 77 | 83.4 Ų | 83.4 | 40% | 0.395 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177 | -61.9 | 165.4 | 0 | 0 | 0 | 110.4 | S3 C5 F11 | S3-I7 WeakPolarHBondContact O-CD1 2.99Å; S3-I7 VanDerWaalsContact O-CG1 3.29Å; S3-I7 WeakPolarHBondContact O-CG1 3.46Å; S3-I7 PolarHBondContact O-N 3.36Å; C5-I7 VanDerWaalsContact C-N 3.3Å; C5-I7 PolarHBondContact O-N 2.79Å; I7-F11 HydrophobicContact CG2-CD2 4.22Å; I7-F11 HydrophobicContact CG2-CE2 4.37Å; I7-F11 WeakPolarHBondContact O-CD2 3.33Å; I7-F11 PolarHBondContact O-N 2.98Å |
| 8 | S | 48.8 | Very low | 44.1 | Very low | 41 Ų | 41 | 79.8 Ų | 79.8 | 29% | 0.287 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68 | -37 | -178.1 | -59.4 | 0 | 0 | 0 | 0 | 113.8 | D4 C5 A6 | D4-S8 VanDerWaalsContact O-CB 3.29Å; D4-S8 WeakPolarHBondContact O-CB 3.1Å; D4-S8 PolarHBondContact O-N 2.93Å; D4-S8 PolarHBondContact O-OG 3.44Å; C5-S8 PolarHBondContact O-N 3.43Å; A6-S8 PolarHBondContact O-N 3.01Å |
| 9 | L | 48.7 | Very low | 44.4 | Very low | 36 Ų | 36 | 78.9 Ų | 78.9 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.9 | -42.3 | 179.1 | -74.9 | 165.1 | 0 | 0 | 0 | 112 | C5 A6 F11 V12 I86 A89 T118 | C5-L9 WeakPolarHBondContact O-CB 3.31Å; C5-L9 VanDerWaalsContact O-CG 3.28Å; C5-L9 WeakPolarHBondContact O-CG 3.16Å; C5-L9 PolarHBondContact O-N 3Å; A6-L9 PolarHBondContact O-N 3.47Å; L9-F11 VanDerWaalsContact C-N 3.29Å; L9-F11 PolarHBondContact O-N 3.25Å; L9-V12 PolarHBondContact O-N 2.96Å; L9-I86 HydrophobicContact CD1-CG1 4.17Å; L9-A89 HydrophobicContact CD2-CB 3.46Å; L9-A89 VanDerWaalsContact CD2-CB 3.46Å; L9-T118 HydrophobicContact CD1-CG2 3.26Å; L9-T118 HydrophobicContact CD2-CG2 4.01Å; L9-T118 HydrophobicContact CG-CG2 3.95Å |
| 10 | L | 45.2 | Very low | 45 | Very low | 59 Ų | 59 | 78.4 Ų | 78.4 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.7 | -27 | -177.2 | -73.2 | 160.3 | 0 | 0 | 0 | 112.2 | A6 V12 T13 I18 | A6-L10 WeakPolarHBondContact O-CB 3.43Å; A6-L10 WeakPolarHBondContact O-CD1 3.49Å; A6-L10 WeakPolarHBondContact O-CG 3.35Å; A6-L10 PolarHBondContact O-N 3.01Å; A6-L10 VanDerWaalsContact O-N 3.11Å; L10-V12 PolarHBondContact O-N 3.4Å; L10-V12 VanDerWaalsContact O-N 3.14Å; L10-T13 PolarHBondContact O-N 3.43Å; L10-T13 PolarHBondContact O-OG1 3.1Å; L10-I18 HydrophobicContact CB-CB 4.44Å; L10-I18 HydrophobicContact CB-CD1 3.95Å; L10-I18 HydrophobicContact CD1-CD1 3.47Å; L10-I18 VanDerWaalsContact CD1-CD1 3.47Å; L10-I18 HydrophobicContact CD2-CD1 3.83Å; L10-I18 HydrophobicContact CG-CD1 3.92Å |
| 11 | F | 36.6 | Very low | 45.8 | Very low | 122 Ų | 122 | 78.7 Ų | 78.7 | 54% | 0.535 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.8 | 174 | -110.7 | -90.3 | 0 | 0 | 0 | 114.5 | I7 L9 | I7-F11 HydrophobicContact CG2-CD2 4.22Å; I7-F11 HydrophobicContact CG2-CE2 4.37Å; I7-F11 WeakPolarHBondContact O-CD2 3.33Å; I7-F11 PolarHBondContact O-N 2.98Å; L9-F11 VanDerWaalsContact C-N 3.29Å; L9-F11 PolarHBondContact O-N 3.25Å |
| 12 | V | 45.3 | Very low | 46.8 | Very low | 35 Ų | 35 | 76.6 Ų | 76.6 | 21% | 0.212 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -15.5 | -177.9 | 176.5 | 0 | 0 | 0 | 0 | 112.6 | L9 L10 R92 L96 | L9-V12 PolarHBondContact O-N 2.96Å; L10-V12 PolarHBondContact O-N 3.4Å; L10-V12 VanDerWaalsContact O-N 3.14Å; V12-R92 HydrophobicContact CG1-CB 4.46Å; V12-L96 HydrophobicContact CG1-CD1 3.81Å |
| 13 | T | 45.9 | Very low | 47.7 | Very low | 31 Ų | 31 | 72.8 Ų | 72.8 | 19% | 0.19 | 41% | 0.408 | C | S | . | . | trans | -92.3 | 129.2 | 179.7 | 72.4 | 0 | 0 | 0 | 0 | 112.3 | L10 L16 | L10-T13 PolarHBondContact O-N 3.43Å; L10-T13 PolarHBondContact O-OG1 3.1Å; T13-L16 WeakPolarHBondContact OG1-CB 3.36Å; T13-L16 PolarHBondContact OG1-N 2.97Å; T13-L16 PolarHBondContact OG1-O 3.43Å; T13-L16 VanDerWaalsContact OG1-O 3.11Å | ||
| 14 | P | 44.6 | Very low | 48.8 | Very low | 112 Ų | 112 | 75.3 Ų | 75.3 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76 | -27.6 | 176 | 26.8 | -32 | 0 | 0 | 0 | 113.1 | ||
| 15 | K | 47.2 | Very low | 50.4 | Low | 208 Ų | 208 | 73.7 Ų | 73.7 | 90% | 0.904 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -84.6 | -33.1 | -177.7 | -69.4 | -167.2 | 177 | -175.8 | 0 | 113.7 | ||
| 16 | L | 42.5 | Very low | 51.4 | Low | 114 Ų | 114 | 75.9 Ų | 75.9 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -104.4 | 64.4 | 171.2 | -111.6 | 118.1 | 0 | 0 | 0 | 108.2 | T13 I18 | T13-L16 WeakPolarHBondContact OG1-CB 3.36Å; T13-L16 PolarHBondContact OG1-N 2.97Å; T13-L16 PolarHBondContact OG1-O 3.43Å; T13-L16 VanDerWaalsContact OG1-O 3.11Å; L16-I18 HydrophobicContact CD2-CD1 4.42Å; L16-I18 PolarHBondContact O-N 2.81Å |
| 17 | K | 43.6 | Very low | 52.4 | Low | 155 Ų | 155 | 78.3 Ų | 78.3 | 67% | 0.674 | 43% | 0.432 | S | S | * | . | trans | -71.4 | 83.5 | 176.1 | -154.1 | -179.4 | -171.8 | -175.7 | 0 | 107.6 | T19 | K17-T19 PolarHBondContact O-N 3.12Å; K17-T19 PolarHBondContact O-OG1 3.38Å | ||
| 18 | I | 46.9 | Very low | 53.8 | Low | 19 Ų | 19 | 82.3 Ų | 82.3 | 10% | 0.097 | 45% | 0.446 | C | S | . | . | trans | -70.3 | 88.8 | 164.3 | -64.8 | 176.3 | 0 | 0 | 0 | 104.9 | L10 L16 N22 A23 V26 | L10-I18 HydrophobicContact CB-CB 4.44Å; L10-I18 HydrophobicContact CB-CD1 3.95Å; L10-I18 HydrophobicContact CD1-CD1 3.47Å; L10-I18 VanDerWaalsContact CD1-CD1 3.47Å; L10-I18 HydrophobicContact CD2-CD1 3.83Å; L10-I18 HydrophobicContact CG-CD1 3.92Å; L16-I18 HydrophobicContact CD2-CD1 4.42Å; L16-I18 PolarHBondContact O-N 2.81Å; I18-N22 HydrophobicContact CG2-CB 4.42Å; I18-A23 HydrophobicContact CG2-CB 3.81Å; I18-V26 HydrophobicContact CD1-CB 4.33Å; I18-V26 HydrophobicContact CD1-CG1 4.14Å; I18-V26 HydrophobicContact CD1-CG2 3.82Å; I18-V26 HydrophobicContact CG1-CG2 4.19Å; I18-V26 HydrophobicContact CG2-CG2 4.4Å | ||
| 19 | T | 51.1 | Low | 55.2 | Low | 63 Ų | 63 | 85.4 Ų | 85.4 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | trans | -57.8 | 153.6 | 169.9 | -9.7 | 0 | 0 | 0 | 0 | 108.3 | K17 S21 N22 A23 | K17-T19 PolarHBondContact O-N 3.12Å; K17-T19 PolarHBondContact O-OG1 3.38Å; T19-S21 PolarHBondContact O-N 2.88Å; T19-N22 PolarHBondContact O-N 3.33Å; T19-A23 PolarHBondContact O-N 3.49Å | ||
| 20 | A | 56.5 | Low | 56.2 | Low | 68 Ų | 68 | 86 Ų | 86 | 56% | 0.562 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -51.4 | -29 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 21 | S | 60.9 | Low | 57.7 | Low | 84 Ų | 84 | 86.3 Ų | 86.3 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.9 | -39.5 | 172.3 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | T19 | T19-S21 PolarHBondContact O-N 2.88Å |
| 22 | N | 59 | Low | 59.7 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -94.4 | -16.5 | -173.2 | -63.9 | 4.5 | 0 | 0 | 0 | 112 | I18 T19 N24 C25 V26 | I18-N22 HydrophobicContact CG2-CB 4.42Å; T19-N22 PolarHBondContact O-N 3.33Å; N22-N24 PolarHBondContact O-N 3.35Å; N22-C25 CarbonylContact O-C 3.56Å; N22-C25 WeakPolarHBondContact O-CA 3.45Å; N22-C25 VanDerWaalsContact O-CB 3.3Å; N22-C25 WeakPolarHBondContact O-CB 3.4Å; N22-C25 PolarHBondContact O-N 2.86Å; N22-V26 PolarHBondContact O-N 2.95Å |
| 23 | A | 60.1 | Low | 61.2 | Low | 14 Ų | 14 | 84 Ų | 84 | 12% | 0.116 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -55.7 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I18 T19 C25 V26 L27 | I18-A23 HydrophobicContact CG2-CB 3.81Å; T19-A23 PolarHBondContact O-N 3.49Å; A23-C25 VanDerWaalsContact C-N 3.3Å; A23-C25 PolarHBondContact O-N 2.62Å; A23-V26 PolarHBondContact O-N 2.88Å; A23-L27 VanDerWaalsContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CB 3.45Å; A23-L27 PolarHBondContact O-N 3.45Å |
| 24 | N | 66.5 | Low | 62.6 | Low | 105 Ų | 105 | 88 Ų | 88 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.4 | -34.6 | 174.7 | -71.5 | -12 | 0 | 0 | 0 | 112.2 | N22 K28 | N22-N24 PolarHBondContact O-N 3.35Å; N24-K28 WeakPolarHBondContact O-CB 3.29Å; N24-K28 VanDerWaalsContact O-CG 3.23Å; N24-K28 WeakPolarHBondContact O-CG 3.43Å; N24-K28 PolarHBondContact O-N 3.39Å |
| 25 | C | 71.9 | Confident | 64.3 | Low | 65 Ų | 65 | 88.2 Ų | 88.2 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.5 | -48.9 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | N22 A23 L27 K28 I29 | N22-C25 CarbonylContact O-C 3.56Å; N22-C25 WeakPolarHBondContact O-CA 3.45Å; N22-C25 VanDerWaalsContact O-CB 3.3Å; N22-C25 WeakPolarHBondContact O-CB 3.4Å; N22-C25 PolarHBondContact O-N 2.86Å; A23-C25 VanDerWaalsContact C-N 3.3Å; A23-C25 PolarHBondContact O-N 2.62Å; C25-L27 VanDerWaalsContact C-N 3.27Å; C25-L27 PolarHBondContact O-N 3.43Å; C25-K28 WeakPolarHBondContact O-CB 3.4Å; C25-K28 PolarHBondContact O-N 3.27Å; C25-K28 VanDerWaalsContact O-N 3.15Å; C25-I29 WeakPolarHBondContact O-CG1 3.49Å; C25-I29 PolarHBondContact O-N 3.06Å |
| 26 | V | 68.2 | Low | 66 | Low | 59 Ų | 59 | 83.2 Ų | 83.2 | 36% | 0.358 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | I18 N22 A23 I29 S30 | I18-V26 HydrophobicContact CD1-CB 4.33Å; I18-V26 HydrophobicContact CD1-CG1 4.14Å; I18-V26 HydrophobicContact CD1-CG2 3.82Å; I18-V26 HydrophobicContact CG1-CG2 4.19Å; I18-V26 HydrophobicContact CG2-CG2 4.4Å; N22-V26 PolarHBondContact O-N 2.95Å; A23-V26 PolarHBondContact O-N 2.88Å; V26-I29 PolarHBondContact O-N 3.27Å; V26-S30 WeakPolarHBondContact O-CB 3.31Å; V26-S30 PolarHBondContact O-N 3.11Å; V26-S30 PolarHBondContact O-OG 2.8Å |
| 27 | L | 66.9 | Low | 67.6 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 173.8 | -178.2 | 64.7 | 0 | 0 | 0 | 111.4 | A23 C25 I29 S30 C31 | A23-L27 VanDerWaalsContact O-CB 3.29Å; A23-L27 WeakPolarHBondContact O-CB 3.45Å; A23-L27 PolarHBondContact O-N 3.45Å; C25-L27 VanDerWaalsContact C-N 3.27Å; C25-L27 PolarHBondContact O-N 3.43Å; L27-I29 VanDerWaalsContact C-N 3.31Å; L27-I29 PolarHBondContact O-N 3.42Å; L27-S30 WeakPolarHBondContact CA-OG 3.44Å; L27-S30 PolarHBondContact O-N 3.23Å; L27-S30 PolarHBondContact O-OG 3.01Å; L27-C31 WeakPolarHBondContact O-CB 3.23Å; L27-C31 PolarHBondContact O-N 3.18Å |
| 28 | K | 72.7 | Confident | 69.2 | Low | 161 Ų | 161 | 75.8 Ų | 75.8 | 70% | 0.7 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.9 | -42.3 | 176.8 | -77.6 | 175.6 | 179.9 | -172 | 0 | 111.8 | N24 C25 G32 | N24-K28 WeakPolarHBondContact O-CB 3.29Å; N24-K28 VanDerWaalsContact O-CG 3.23Å; N24-K28 WeakPolarHBondContact O-CG 3.43Å; N24-K28 PolarHBondContact O-N 3.39Å; C25-K28 WeakPolarHBondContact O-CB 3.4Å; C25-K28 PolarHBondContact O-N 3.27Å; C25-K28 VanDerWaalsContact O-N 3.15Å; K28-G32 PolarHBondContact O-N 2.86Å |
| 29 | I | 78.1 | Confident | 70.7 | Confident | 105 Ų | 105 | 82.1 Ų | 82.1 | 54% | 0.538 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 177.1 | -66.4 | 166 | 0 | 0 | 0 | 110.7 | C25 V26 L27 G32 T33 | C25-I29 WeakPolarHBondContact O-CG1 3.49Å; C25-I29 PolarHBondContact O-N 3.06Å; V26-I29 PolarHBondContact O-N 3.27Å; L27-I29 VanDerWaalsContact C-N 3.31Å; L27-I29 PolarHBondContact O-N 3.42Å; I29-G32 PolarHBondContact O-N 3.12Å; I29-T33 WeakPolarHBondContact O-CB 3.23Å; I29-T33 WeakPolarHBondContact O-CG2 3.3Å; I29-T33 PolarHBondContact O-N 3.39Å; I29-T33 PolarHBondContact O-OG1 2.96Å |
| 30 | S | 71.2 | Confident | 72 | Confident | 49 Ų | 49 | 83.6 Ų | 83.6 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178.3 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | V26 L27 T33 L34 | V26-S30 WeakPolarHBondContact O-CB 3.31Å; V26-S30 PolarHBondContact O-N 3.11Å; V26-S30 PolarHBondContact O-OG 2.8Å; L27-S30 WeakPolarHBondContact CA-OG 3.44Å; L27-S30 PolarHBondContact O-N 3.23Å; L27-S30 PolarHBondContact O-OG 3.01Å; S30-T33 WeakPolarHBondContact CA-OG1 3.48Å; S30-T33 PolarHBondContact O-OG1 3.42Å; S30-L34 VanDerWaalsContact O-CG 3.31Å; S30-L34 WeakPolarHBondContact O-CG 3.29Å; S30-L34 PolarHBondContact O-N 2.9Å; S30-L34 VanDerWaalsContact O-N 3.11Å |
| 31 | C | 76.2 | Confident | 72.6 | Confident | 66 Ų | 66 | 81.2 Ų | 81.2 | 45% | 0.446 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 176 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | L27 T33 L34 L35 | L27-C31 WeakPolarHBondContact O-CB 3.23Å; L27-C31 PolarHBondContact O-N 3.18Å; C31-T33 PolarHBondContact O-N 3.44Å; C31-L34 PolarHBondContact O-N 3.49Å; C31-L35 WeakPolarHBondContact O-CG 3.36Å; C31-L35 PolarHBondContact O-N 2.8Å |
| 32 | G | 77.5 | Confident | 73 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 27% | 0.268 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K28 I29 L35 I36 | K28-G32 PolarHBondContact O-N 2.86Å; I29-G32 PolarHBondContact O-N 3.12Å; G32-L35 PolarHBondContact O-N 3.4Å; G32-I36 WeakPolarHBondContact O-CD1 3.14Å; G32-I36 VanDerWaalsContact O-CG1 3.24Å; G32-I36 WeakPolarHBondContact O-CG1 3.46Å; G32-I36 PolarHBondContact O-N 3.03Å |
| 33 | T | 77 | Confident | 73.8 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 176.3 | 44.5 | 0 | 0 | 0 | 0 | 112.4 | I29 S30 C31 I36 F37 | I29-T33 WeakPolarHBondContact O-CB 3.23Å; I29-T33 WeakPolarHBondContact O-CG2 3.3Å; I29-T33 PolarHBondContact O-N 3.39Å; I29-T33 PolarHBondContact O-OG1 2.96Å; S30-T33 WeakPolarHBondContact CA-OG1 3.48Å; S30-T33 PolarHBondContact O-OG1 3.42Å; C31-T33 PolarHBondContact O-N 3.44Å; T33-I36 PolarHBondContact O-N 3.43Å; T33-F37 WeakPolarHBondContact O-CB 3.36Å; T33-F37 PolarHBondContact O-N 3.04Å |
| 34 | L | 76.6 | Confident | 74.2 | Confident | 117 Ų | 117 | 82.2 Ų | 82.2 | 61% | 0.613 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 173 | -72.7 | 171.8 | 0 | 0 | 0 | 112.6 | S30 C31 F37 A38 | S30-L34 VanDerWaalsContact O-CG 3.31Å; S30-L34 WeakPolarHBondContact O-CG 3.29Å; S30-L34 PolarHBondContact O-N 2.9Å; S30-L34 VanDerWaalsContact O-N 3.11Å; C31-L34 PolarHBondContact O-N 3.49Å; L34-F37 PolarHBondContact O-N 3.41Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.78Å |
| 35 | L | 79.9 | Confident | 74.1 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 60% | 0.602 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 176.7 | -72.9 | 173.9 | 0 | 0 | 0 | 111.9 | C31 G32 F37 A38 F39 | C31-L35 WeakPolarHBondContact O-CG 3.36Å; C31-L35 PolarHBondContact O-N 2.8Å; G32-L35 PolarHBondContact O-N 3.4Å; L35-F37 VanDerWaalsContact C-N 3.35Å; L35-A38 PolarHBondContact O-N 3.23Å; L35-F39 VanDerWaalsContact O-CB 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 PolarHBondContact O-N 3.32Å |
| 36 | I | 82.7 | Confident | 73.9 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 53% | 0.533 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 175.2 | -69 | 163.9 | 0 | 0 | 0 | 109.9 | G32 T33 A38 F39 I40 | G32-I36 WeakPolarHBondContact O-CD1 3.14Å; G32-I36 VanDerWaalsContact O-CG1 3.24Å; G32-I36 WeakPolarHBondContact O-CG1 3.46Å; G32-I36 PolarHBondContact O-N 3.03Å; T33-I36 PolarHBondContact O-N 3.43Å; I36-A38 PolarHBondContact O-N 3.46Å; I36-F39 PolarHBondContact O-N 3.28Å; I36-I40 HydrophobicContact CG2-CD1 3.75Å; I36-I40 HydrophobicContact CG2-CG1 4.39Å; I36-I40 VanDerWaalsContact O-CG1 3.28Å; I36-I40 WeakPolarHBondContact O-CG1 3.2Å; I36-I40 PolarHBondContact O-N 3.09Å |
| 37 | F | 77 | Confident | 73.7 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 29% | 0.285 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.5 | -176.4 | -103.1 | 0 | 0 | 0 | 112.4 | T33 L34 L35 F39 I40 S41 Y71 T74 L75 | T33-F37 WeakPolarHBondContact O-CB 3.36Å; T33-F37 PolarHBondContact O-N 3.04Å; L34-F37 PolarHBondContact O-N 3.41Å; L35-F37 VanDerWaalsContact C-N 3.35Å; F37-F39 VanDerWaalsContact C-N 3.34Å; F37-I40 PolarHBondContact O-N 3.35Å; F37-S41 WeakPolarHBondContact O-CB 3.28Å; F37-S41 PolarHBondContact O-N 2.89Å; F37-S41 PolarHBondContact O-OG 3.08Å; F37-Y71 AromaticContact CE1-CD2 3.96Å; F37-Y71 HydrophobicContact CE1-CD2 3.96Å; F37-Y71 AromaticContact CE1-CE2 3.46Å; F37-Y71 HydrophobicContact CE1-CE2 3.46Å; F37-Y71 VanDerWaalsContact CE1-CE2 3.46Å; F37-Y71 AromaticContact CZ-CD2 3.58Å; F37-Y71 HydrophobicContact CZ-CD2 3.58Å; F37-Y71 AromaticContact CZ-CE2 3.61Å; F37-Y71 HydrophobicContact CZ-CE2 3.61Å; F37-T74 HydrophobicContact CE2-CG2 4.31Å; F37-L75 HydrophobicContact CE1-CD2 4.47Å |
| 38 | A | 76.2 | Confident | 73.4 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 40% | 0.397 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L34 L35 I36 S41 S42 | L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.78Å; L35-A38 PolarHBondContact O-N 3.23Å; I36-A38 PolarHBondContact O-N 3.46Å; A38-S41 PolarHBondContact O-N 3.41Å; A38-S42 VanDerWaalsContact O-CB 3.31Å; A38-S42 WeakPolarHBondContact O-CB 3.33Å; A38-S42 PolarHBondContact O-N 2.98Å; A38-S42 PolarHBondContact O-OG 3.45Å |
| 39 | F | 79.1 | Confident | 72.6 | Confident | 152 Ų | 152 | 77.9 Ų | 77.9 | 67% | 0.667 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.5 | -45.6 | 177.1 | -173.4 | -96.9 | 0 | 0 | 0 | 111.6 | L35 I36 F37 S41 S42 A43 | L35-F39 VanDerWaalsContact O-CB 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 PolarHBondContact O-N 3.32Å; I36-F39 PolarHBondContact O-N 3.28Å; F37-F39 VanDerWaalsContact C-N 3.34Å; F39-S41 VanDerWaalsContact C-N 3.34Å; F39-S41 PolarHBondContact O-N 3.3Å; F39-S42 PolarHBondContact O-N 3.43Å; F39-A43 VanDerWaalsContact O-CB 3.28Å; F39-A43 WeakPolarHBondContact O-CB 3.49Å; F39-A43 PolarHBondContact O-N 3.12Å |
| 40 | I | 78.4 | Confident | 71.4 | Confident | 93 Ų | 93 | 81.8 Ų | 81.8 | 48% | 0.477 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.7 | -68.4 | 166.9 | 0 | 0 | 0 | 110.1 | I36 F37 S42 A43 L44 | I36-I40 HydrophobicContact CG2-CD1 3.75Å; I36-I40 HydrophobicContact CG2-CG1 4.39Å; I36-I40 VanDerWaalsContact O-CG1 3.28Å; I36-I40 WeakPolarHBondContact O-CG1 3.2Å; I36-I40 PolarHBondContact O-N 3.09Å; F37-I40 PolarHBondContact O-N 3.35Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.08Å; I40-A43 PolarHBondContact O-N 2.98Å; I40-L44 WeakPolarHBondContact O-CB 3.4Å; I40-L44 PolarHBondContact O-N 2.92Å |
| 41 | S | 68.9 | Low | 70.6 | Confident | 19 Ų | 19 | 85.1 Ų | 85.1 | 13% | 0.133 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | F37 A38 F39 L44 T45 | F37-S41 WeakPolarHBondContact O-CB 3.28Å; F37-S41 PolarHBondContact O-N 2.89Å; F37-S41 PolarHBondContact O-OG 3.08Å; A38-S41 PolarHBondContact O-N 3.41Å; F39-S41 VanDerWaalsContact C-N 3.34Å; F39-S41 PolarHBondContact O-N 3.3Å; S41-L44 PolarHBondContact O-N 3.15Å; S41-T45 WeakPolarHBondContact O-CG2 3.46Å; S41-T45 PolarHBondContact O-N 3.03Å; S41-T45 VanDerWaalsContact O-N 3.14Å; S41-T45 PolarHBondContact O-OG1 3.46Å; S41-T45 VanDerWaalsContact O-OG1 3.1Å |
| 42 | S | 69.4 | Low | 69.3 | Low | 66 Ų | 66 | 91 Ų | 91 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | A38 F39 I40 L44 T45 A46 | A38-S42 VanDerWaalsContact O-CB 3.31Å; A38-S42 WeakPolarHBondContact O-CB 3.33Å; A38-S42 PolarHBondContact O-N 2.98Å; A38-S42 PolarHBondContact O-OG 3.45Å; F39-S42 PolarHBondContact O-N 3.43Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.08Å; S42-L44 VanDerWaalsContact C-N 3.26Å; S42-L44 PolarHBondContact O-N 3.26Å; S42-T45 WeakPolarHBondContact CA-OG1 3.36Å; S42-T45 PolarHBondContact O-N 3.09Å; S42-T45 PolarHBondContact O-OG1 3.3Å; S42-T45 VanDerWaalsContact O-OG1 3.13Å; S42-A46 WeakPolarHBondContact O-CB 3.22Å; S42-A46 PolarHBondContact O-N 3.2Å |
| 43 | A | 74.8 | Confident | 68 | Low | 53 Ų | 53 | 92.3 Ų | 92.3 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -32.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F39 I40 P47 | F39-A43 VanDerWaalsContact O-CB 3.28Å; F39-A43 WeakPolarHBondContact O-CB 3.49Å; F39-A43 PolarHBondContact O-N 3.12Å; I40-A43 PolarHBondContact O-N 2.98Å; A43-P47 WeakPolarHBondContact O-CD 3.29Å |
| 44 | L | 68.8 | Low | 66.5 | Low | 79 Ų | 79 | 94.7 Ų | 94.7 | 41% | 0.414 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.4 | -32.7 | 176.9 | -146.9 | 79.1 | 0 | 0 | 0 | 112.7 | I40 S41 S42 F67 | I40-L44 WeakPolarHBondContact O-CB 3.4Å; I40-L44 PolarHBondContact O-N 2.92Å; S41-L44 PolarHBondContact O-N 3.15Å; S42-L44 VanDerWaalsContact C-N 3.26Å; S42-L44 PolarHBondContact O-N 3.26Å; L44-F67 HydrophobicContact CB-CE2 4.46Å; L44-F67 HydrophobicContact CD2-CB 4.31Å; L44-F67 HydrophobicContact CD2-CD1 4.35Å; L44-F67 HydrophobicContact CD2-CD2 3.05Å; L44-F67 HydrophobicContact CD2-CE1 4.46Å; L44-F67 HydrophobicContact CD2-CE2 3.23Å; L44-F67 HydrophobicContact CD2-CG 3.65Å; L44-F67 HydrophobicContact CD2-CZ 3.94Å; L44-F67 HydrophobicContact CG-CE2 4.44Å |
| 45 | T | 64.7 | Low | 65.2 | Low | 40 Ų | 40 | 93.4 Ų | 93.4 | 25% | 0.245 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -86.6 | -31.9 | 179.5 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | S41 S42 R48 M49 V63 | S41-T45 WeakPolarHBondContact O-CG2 3.46Å; S41-T45 PolarHBondContact O-N 3.03Å; S41-T45 VanDerWaalsContact O-N 3.14Å; S41-T45 PolarHBondContact O-OG1 3.46Å; S41-T45 VanDerWaalsContact O-OG1 3.1Å; S42-T45 WeakPolarHBondContact CA-OG1 3.36Å; S42-T45 PolarHBondContact O-N 3.09Å; S42-T45 PolarHBondContact O-OG1 3.3Å; S42-T45 VanDerWaalsContact O-OG1 3.13Å; T45-R48 WeakPolarHBondContact O-CA 3.43Å; T45-R48 WeakPolarHBondContact O-CB 3.44Å; T45-R48 PolarHBondContact O-N 2.91Å; T45-M49 PolarHBondContact O-N 3Å; T45-M49 VanDerWaalsContact O-N 3.11Å; T45-V63 HydrophobicContact CG2-CG2 4.03Å |
| 46 | A | 68.4 | Low | 63.9 | Low | 48 Ų | 48 | 93.1 Ų | 93.1 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -46.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S42 R48 M49 | S42-A46 WeakPolarHBondContact O-CB 3.22Å; S42-A46 PolarHBondContact O-N 3.2Å; A46-R48 PolarHBondContact O-N 3.48Å; A46-M49 HydrophobicContact CB-CE 4.43Å; A46-M49 PolarHBondContact O-N 3.45Å |
| 47 | P | 63.8 | Low | 62.5 | Low | 86 Ų | 86 | 90.9 Ų | 90.9 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | 178 | 25 | -33 | 0 | 0 | 0 | 112.6 | A43 | A43-P47 WeakPolarHBondContact O-CD 3.29Š|
| 48 | R | 59.5 | Low | 61.5 | Low | 95 Ų | 95 | 92.7 Ų | 92.7 | 36% | 0.358 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -88.1 | -23.6 | -177.4 | -55.9 | -164.7 | 174.9 | -142.9 | -3 | 113.4 | T45 A46 K50 I51 L62 P64 | T45-R48 WeakPolarHBondContact O-CA 3.43Å; T45-R48 WeakPolarHBondContact O-CB 3.44Å; T45-R48 PolarHBondContact O-N 2.91Å; A46-R48 PolarHBondContact O-N 3.48Å; R48-K50 PolarHBondContact O-N 3.36Å; R48-K50 VanDerWaalsContact O-N 3.08Å; R48-I51 PolarHBondContact O-N 2.8Å; R48-I51 VanDerWaalsContact O-N 3.12Å; R48-L62 WeakPolarHBondContact CD-O 3.48Å; R48-L62 PolarHBondContact NH1-O 3.35Å; R48-P64 VanDerWaalsContact CZ-CD 3.41Å; R48-P64 VanDerWaalsContact NH1-CD 3.31Å |
| 49 | M | 57 | Low | 60.6 | Low | 128 Ų | 128 | 96.7 Ų | 96.7 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -62.6 | -11.4 | 171.5 | -69 | -162 | -84.4 | 0 | 0 | 113.8 | T45 A46 | T45-M49 PolarHBondContact O-N 3Å; T45-M49 VanDerWaalsContact O-N 3.11Å; A46-M49 HydrophobicContact CB-CE 4.43Å; A46-M49 PolarHBondContact O-N 3.45Å |
| 50 | K | 52.8 | Low | 59.3 | Low | 187 Ų | 187 | 91.6 Ų | 91.6 | 81% | 0.813 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -80 | -17 | 174.8 | -72.3 | -172.5 | 177.9 | -177.5 | 0 | 114.1 | R48 E52 | R48-K50 PolarHBondContact O-N 3.36Å; R48-K50 VanDerWaalsContact O-N 3.08Å; K50-E52 PolarHBondContact O-N 3.37Å |
| 51 | I | 54.4 | Low | 58.2 | Low | 120 Ų | 120 | 92.3 Ų | 92.3 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -65 | 128.3 | 166.6 | -58.5 | 170.8 | 0 | 0 | 0 | 104.3 | R48 V53 | R48-I51 PolarHBondContact O-N 2.8Å; R48-I51 VanDerWaalsContact O-N 3.12Å; I51-V53 HydrophobicContact CB-CG2 4.33Å; I51-V53 WeakPolarHBondContact O-CG2 3.45Å; I51-V53 PolarHBondContact O-N 2.84Å |
| 52 | E | 47.9 | Very low | 57.7 | Low | 188 Ų | 188 | 93.1 Ų | 93.1 | 88% | 0.879 | 52% | 0.519 | S | S | * | . | trans | -60.1 | 86.5 | 175.2 | -73.8 | -179.5 | 146.8 | 0 | 0 | 108.1 | K50 L54 | K50-E52 PolarHBondContact O-N 3.37Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 2.76Å | ||
| 53 | V | 49.9 | Very low | 57.4 | Low | 54 Ų | 54 | 90.7 Ų | 90.7 | 33% | 0.327 | 50% | 0.501 | S | S | . | . | trans | -78.2 | 94.5 | -177.9 | -173.6 | 0 | 0 | 0 | 0 | 104.4 | I51 G55 C57 L62 | I51-V53 HydrophobicContact CB-CG2 4.33Å; I51-V53 WeakPolarHBondContact O-CG2 3.45Å; I51-V53 PolarHBondContact O-N 2.84Å; V53-G55 PolarHBondContact O-N 3.12Å; V53-C57 HydrophobicContact CG1-CB 3.49Å; V53-C57 VanDerWaalsContact CG1-CB 3.49Å; V53-L62 HydrophobicContact CB-CD2 4.32Å; V53-L62 HydrophobicContact CG1-CD1 4.05Å; V53-L62 HydrophobicContact CG1-CD2 4.16Å; V53-L62 HydrophobicContact CG1-CG 4.07Å; V53-L62 HydrophobicContact CG2-CD2 3.44Å; V53-L62 VanDerWaalsContact CG2-CD2 3.44Å; V53-L62 HydrophobicContact CG2-CG 4.09Å | ||
| 54 | L | 46.2 | Very low | 57.1 | Low | 132 Ų | 132 | 90.2 Ų | 90.2 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | trans | -40.5 | 128.2 | 163.3 | -127.1 | 78.4 | 0 | 0 | 0 | 106 | E52 C56 C57 | E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 2.76Å; L54-C56 PolarHBondContact O-N 2.93Å; L54-C57 PolarHBondContact O-N 3.03Å | ||
| 55 | G | 50.4 | Low | 57.3 | Low | 89 Ų | 89 | 91.2 Ų | 91.2 | 92% | 0.918 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 10.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V53 | V53-G55 PolarHBondContact O-N 3.12Š|
| 56 | C | 50.9 | Low | 57.6 | Low | 109 Ų | 109 | 97.3 Ų | 97.3 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -4.2 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 114.5 | L54 | L54-C56 PolarHBondContact O-N 2.93Š|
| 57 | C | 54.6 | Low | 57.9 | Low | 58 Ų | 58 | 97.3 Ų | 97.3 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | trans | -76.6 | 136.3 | 179.8 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | V53 L54 D61 | V53-C57 HydrophobicContact CG1-CB 3.49Å; V53-C57 VanDerWaalsContact CG1-CB 3.49Å; L54-C57 PolarHBondContact O-N 3.03Å; C57-D61 HydrophobicContact CB-CB 4.1Å | ||
| 58 | Y | 54.7 | Low | 58.4 | Low | 103 Ų | 103 | 94.2 Ų | 94.2 | 40% | 0.404 | 49% | 0.493 | S | S | . | . | trans | -71.1 | 155.1 | 174.6 | -72.6 | -86.1 | 0 | 0 | 0 | 109.8 | E60 D61 L62 D150 | Y58-E60 PolarHBondContact O-N 2.92Å; Y58-D61 PolarHBondContact N-OD2 3.26Å; Y58-D61 WeakPolarHBondContact O-CB 3.47Å; Y58-D61 PolarHBondContact O-N 3.13Å; Y58-L62 PolarHBondContact O-N 3.38Å; Y58-D150 WeakPolarHBondContact CE1-OD1 3.31Å; Y58-D150 PolarHBondContact OH-OD2 3.38Å | ||
| 59 | M | 57.3 | Low | 59.2 | Low | 131 Ų | 131 | 91.2 Ų | 91.2 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -54.3 | -25.7 | 173 | -82.1 | -71.9 | -170.7 | 0 | 0 | 112.2 | D61 L62 V63 | M59-D61 VanDerWaalsContact C-N 3.3Å; M59-D61 PolarHBondContact O-N 3.43Å; M59-L62 PolarHBondContact O-N 2.92Å; M59-L62 HydrophobicContact SD-CD1 4.14Å; M59-V63 VanDerWaalsContact O-CB 3.29Å; M59-V63 WeakPolarHBondContact O-CB 3.29Å; M59-V63 WeakPolarHBondContact O-CG2 3.34Å; M59-V63 PolarHBondContact O-N 3.32Å; M59-V63 VanDerWaalsContact O-N 3.14Å |
| 60 | E | 53 | Low | 60.2 | Low | 45 Ų | 45 | 87.6 Ų | 87.6 | 21% | 0.21 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -68.3 | -26.1 | 177 | -48.4 | -164.8 | 158.7 | 0 | 0 | 112.9 | Y58 Y68 V140 L149 | Y58-E60 PolarHBondContact O-N 2.92Å; E60-Y68 HydrophobicContact CG-CD2 4.21Å; E60-Y68 HydrophobicContact CG-CE1 4.34Å; E60-Y68 HydrophobicContact CG-CE2 3.98Å; E60-Y68 HydrophobicContact CG-CG 4.45Å; E60-Y68 WeakPolarHBondContact OE1-CE1 3.3Å; E60-Y68 PolarHBondContact OE1-OH 2.91Å; E60-V140 VanDerWaalsContact OE1-CG2 3.23Å; E60-V140 WeakPolarHBondContact OE1-CG2 3.33Å; E60-L149 VanDerWaalsContact CD-CD2 3.46Å; E60-L149 WeakPolarHBondContact OE1-CD2 3.43Å |
| 61 | D | 55.2 | Low | 61.4 | Low | 109 Ų | 109 | 82.7 Ų | 82.7 | 58% | 0.583 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -80.1 | -36 | 174.6 | -61.5 | -42.6 | 0 | 0 | 0 | 111.6 | C57 Y58 M59 V63 | C57-D61 HydrophobicContact CB-CB 4.1Å; Y58-D61 PolarHBondContact N-OD2 3.26Å; Y58-D61 WeakPolarHBondContact O-CB 3.47Å; Y58-D61 PolarHBondContact O-N 3.13Å; M59-D61 VanDerWaalsContact C-N 3.3Å; M59-D61 PolarHBondContact O-N 3.43Å; D61-V63 VanDerWaalsContact C-N 3.34Å |
| 62 | L | 58 | Low | 62.7 | Low | 36 Ų | 36 | 77.1 Ų | 77.1 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.8 | -33.7 | 179.6 | -83 | 139.1 | 0 | 0 | 0 | 112 | R48 V53 Y58 M59 | R48-L62 WeakPolarHBondContact CD-O 3.48Å; R48-L62 PolarHBondContact NH1-O 3.35Å; V53-L62 HydrophobicContact CB-CD2 4.32Å; V53-L62 HydrophobicContact CG1-CD1 4.05Å; V53-L62 HydrophobicContact CG1-CD2 4.16Å; V53-L62 HydrophobicContact CG1-CG 4.07Å; V53-L62 HydrophobicContact CG2-CD2 3.44Å; V53-L62 VanDerWaalsContact CG2-CD2 3.44Å; V53-L62 HydrophobicContact CG2-CG 4.09Å; Y58-L62 PolarHBondContact O-N 3.38Å; M59-L62 PolarHBondContact O-N 2.92Å; M59-L62 HydrophobicContact SD-CD1 4.14Å |
| 63 | V | 63.4 | Low | 64.2 | Low | 14 Ų | 14 | 71.3 Ų | 71.3 | 9% | 0.085 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -119.4 | 138.8 | -164.5 | 175.8 | 0 | 0 | 0 | 0 | 108.3 | T45 M59 D61 L65 F67 | T45-V63 HydrophobicContact CG2-CG2 4.03Å; M59-V63 VanDerWaalsContact O-CB 3.29Å; M59-V63 WeakPolarHBondContact O-CB 3.29Å; M59-V63 WeakPolarHBondContact O-CG2 3.34Å; M59-V63 PolarHBondContact O-N 3.32Å; M59-V63 VanDerWaalsContact O-N 3.14Å; D61-V63 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 2.68Å; V63-F67 HydrophobicContact CG1-CB 3.86Å; V63-F67 HydrophobicContact CG1-CD1 3.21Å; V63-F67 HydrophobicContact CG1-CE1 4.05Å; V63-F67 HydrophobicContact CG1-CG 3.92Å |
| 64 | P | 68 | Low | 65.6 | Low | 43 Ų | 43 | 71.5 Ų | 71.5 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | trans | -61.9 | 136.1 | 179.5 | 26.5 | -25.5 | 0 | 0 | 0 | 108.6 | R48 E66 F67 Y68 | R48-P64 VanDerWaalsContact CZ-CD 3.41Å; R48-P64 VanDerWaalsContact NH1-CD 3.31Å; P64-E66 PolarHBondContact O-N 2.94Å; P64-F67 HydrophobicContact CG-CB 3.76Å; P64-F67 WeakPolarHBondContact O-CA 3.39Å; P64-F67 WeakPolarHBondContact O-CB 3.33Å; P64-F67 PolarHBondContact O-N 3.04Å; P64-Y68 PolarHBondContact O-N 3.16Å; P64-Y68 VanDerWaalsContact O-N 3.09Å | ||
| 65 | L | 72.4 | Confident | 67.2 | Low | 100 Ų | 100 | 66.3 Ų | 66.3 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -43.4 | -44.6 | -179.2 | -167.7 | 75.5 | 0 | 0 | 0 | 112 | V63 F67 Y68 V69 V140 | V63-L65 PolarHBondContact O-N 2.68Å; L65-F67 PolarHBondContact O-N 3.33Å; L65-Y68 PolarHBondContact O-N 2.99Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 2.87Å; L65-V140 HydrophobicContact CD1-CG1 3.21Å; L65-V140 HydrophobicContact CG-CG1 3.97Å |
| 66 | E | 72.5 | Confident | 68.7 | Low | 168 Ų | 168 | 62.3 Ų | 62.3 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.3 | -42.7 | 178.1 | -61.9 | -176.7 | 174 | 0 | 0 | 113.1 | P64 A70 | P64-E66 PolarHBondContact O-N 2.94Å; E66-A70 WeakPolarHBondContact O-CB 3.42Å; E66-A70 PolarHBondContact O-N 3.2Å |
| 67 | F | 73.8 | Confident | 70.1 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.5 | -41 | 177.1 | 178.8 | -87.1 | 0 | 0 | 0 | 111.2 | L44 V63 P64 L65 V69 A70 Y71 | L44-F67 HydrophobicContact CB-CE2 4.46Å; L44-F67 HydrophobicContact CD2-CB 4.31Å; L44-F67 HydrophobicContact CD2-CD1 4.35Å; L44-F67 HydrophobicContact CD2-CD2 3.05Å; L44-F67 HydrophobicContact CD2-CE1 4.46Å; L44-F67 HydrophobicContact CD2-CE2 3.23Å; L44-F67 HydrophobicContact CD2-CG 3.65Å; L44-F67 HydrophobicContact CD2-CZ 3.94Å; L44-F67 HydrophobicContact CG-CE2 4.44Å; V63-F67 HydrophobicContact CG1-CB 3.86Å; V63-F67 HydrophobicContact CG1-CD1 3.21Å; V63-F67 HydrophobicContact CG1-CE1 4.05Å; V63-F67 HydrophobicContact CG1-CG 3.92Å; P64-F67 HydrophobicContact CG-CB 3.76Å; P64-F67 WeakPolarHBondContact O-CA 3.39Å; P64-F67 WeakPolarHBondContact O-CB 3.33Å; P64-F67 PolarHBondContact O-N 3.04Å; L65-F67 PolarHBondContact O-N 3.33Å; F67-V69 VanDerWaalsContact C-N 3.32Å; F67-V69 PolarHBondContact O-N 3.45Å; F67-A70 PolarHBondContact O-N 2.97Å; F67-Y71 HydrophobicContact CE1-CD2 4.46Å; F67-Y71 HydrophobicContact CZ-CD2 4.49Å; F67-Y71 WeakPolarHBondContact O-CB 3.34Å; F67-Y71 PolarHBondContact O-N 3.32Å |
| 68 | Y | 73.8 | Confident | 71.3 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 177.7 | 179.1 | -91.1 | 0 | 0 | 0 | 111.1 | E60 P64 L65 N72 V140 | E60-Y68 HydrophobicContact CG-CD2 4.21Å; E60-Y68 HydrophobicContact CG-CE1 4.34Å; E60-Y68 HydrophobicContact CG-CE2 3.98Å; E60-Y68 HydrophobicContact CG-CG 4.45Å; E60-Y68 WeakPolarHBondContact OE1-CE1 3.3Å; E60-Y68 PolarHBondContact OE1-OH 2.91Å; P64-Y68 PolarHBondContact O-N 3.16Å; P64-Y68 VanDerWaalsContact O-N 3.09Å; L65-Y68 PolarHBondContact O-N 2.99Å; Y68-N72 VanDerWaalsContact CE1-ND2 3.32Å; Y68-N72 WeakPolarHBondContact CE1-ND2 3.38Å; Y68-N72 PolarHBondContact O-N 3.45Å; Y68-N72 PolarHBondContact O-ND2 2.88Å; Y68-V140 HydrophobicContact CD1-CB 4.5Å; Y68-V140 HydrophobicContact CD1-CG1 4.17Å; Y68-V140 HydrophobicContact CD1-CG2 4.24Å; Y68-V140 HydrophobicContact CE1-CB 4.37Å; Y68-V140 HydrophobicContact CE1-CG1 4.46Å; Y68-V140 HydrophobicContact CE1-CG2 3.72Å |
| 69 | V | 78.1 | Confident | 72.5 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 176 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | L65 F67 Y71 N72 V73 V140 | L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 2.87Å; F67-V69 VanDerWaalsContact C-N 3.32Å; F67-V69 PolarHBondContact O-N 3.45Å; V69-Y71 VanDerWaalsContact C-N 3.3Å; V69-Y71 PolarHBondContact O-N 3.26Å; V69-N72 PolarHBondContact O-N 3.47Å; V69-V73 HydrophobicContact CG1-CG2 4.12Å; V69-V73 WeakPolarHBondContact O-CB 3.32Å; V69-V73 VanDerWaalsContact O-CG2 3.24Å; V69-V73 WeakPolarHBondContact O-CG2 3.5Å; V69-V73 PolarHBondContact O-N 3.41Å; V69-V140 HydrophobicContact CG2-CB 4.23Å; V69-V140 HydrophobicContact CG2-CG1 3.69Å |
| 70 | A | 76.9 | Confident | 73.6 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E66 F67 T74 | E66-A70 WeakPolarHBondContact O-CB 3.42Å; E66-A70 PolarHBondContact O-N 3.2Å; F67-A70 PolarHBondContact O-N 2.97Å; A70-T74 VanDerWaalsContact O-CB 3.3Å; A70-T74 WeakPolarHBondContact O-CB 3.34Å; A70-T74 PolarHBondContact O-N 2.79Å; A70-T74 PolarHBondContact O-OG1 3.27Å |
| 71 | Y | 78.8 | Confident | 74.8 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -52.2 | 176.1 | 176.1 | -95.6 | 0 | 0 | 0 | 111.3 | F37 F67 V69 V73 T74 L75 | F37-Y71 AromaticContact CE1-CD2 3.96Å; F37-Y71 HydrophobicContact CE1-CD2 3.96Å; F37-Y71 AromaticContact CE1-CE2 3.46Å; F37-Y71 HydrophobicContact CE1-CE2 3.46Å; F37-Y71 VanDerWaalsContact CE1-CE2 3.46Å; F37-Y71 AromaticContact CZ-CD2 3.58Å; F37-Y71 HydrophobicContact CZ-CD2 3.58Å; F37-Y71 AromaticContact CZ-CE2 3.61Å; F37-Y71 HydrophobicContact CZ-CE2 3.61Å; F67-Y71 HydrophobicContact CE1-CD2 4.46Å; F67-Y71 HydrophobicContact CZ-CD2 4.49Å; F67-Y71 WeakPolarHBondContact O-CB 3.34Å; F67-Y71 PolarHBondContact O-N 3.32Å; V69-Y71 VanDerWaalsContact C-N 3.3Å; V69-Y71 PolarHBondContact O-N 3.26Å; Y71-V73 PolarHBondContact O-N 2.91Å; Y71-T74 PolarHBondContact O-N 2.92Å; Y71-L75 HydrophobicContact CD1-CD1 3.94Å; Y71-L75 HydrophobicContact CE1-CD1 3.27Å; Y71-L75 HydrophobicContact CE1-CG 4.16Å; Y71-L75 HydrophobicContact CE2-CD1 4.37Å; Y71-L75 PolarHBondContact O-N 3.3Å |
| 72 | N | 80.8 | Confident | 75.8 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | -179.9 | -79.3 | -68.9 | 0 | 0 | 0 | 112.3 | Y68 V69 L75 A76 C133 A137 | Y68-N72 VanDerWaalsContact CE1-ND2 3.32Å; Y68-N72 WeakPolarHBondContact CE1-ND2 3.38Å; Y68-N72 PolarHBondContact O-N 3.45Å; Y68-N72 PolarHBondContact O-ND2 2.88Å; V69-N72 PolarHBondContact O-N 3.47Å; N72-L75 PolarHBondContact O-N 3.46Å; N72-A76 WeakPolarHBondContact O-CB 3.34Å; N72-A76 PolarHBondContact O-N 3.2Å; N72-C133 HydrophobicContact CB-CB 4.39Å; N72-C133 PolarHBondContact OD1-SG 3.07Å; N72-A137 HydrophobicContact CB-CB 4.08Å |
| 73 | V | 80.2 | Confident | 76.8 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | V69 Y71 L75 A76 C77 A137 | V69-V73 HydrophobicContact CG1-CG2 4.12Å; V69-V73 WeakPolarHBondContact O-CB 3.32Å; V69-V73 VanDerWaalsContact O-CG2 3.24Å; V69-V73 WeakPolarHBondContact O-CG2 3.5Å; V69-V73 PolarHBondContact O-N 3.41Å; Y71-V73 PolarHBondContact O-N 2.91Å; V73-L75 PolarHBondContact O-N 3.21Å; V73-A76 WeakPolarHBondContact O-CB 3.48Å; V73-A76 PolarHBondContact O-N 3.4Å; V73-C77 WeakPolarHBondContact O-CB 3.41Å; V73-C77 PolarHBondContact O-N 3.11Å; V73-C77 PolarHBondContact O-SG 3.44Å; V73-A137 HydrophobicContact CG2-CB 3.85Å |
| 74 | T | 78.7 | Confident | 77.5 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 178 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | F37 A70 Y71 A76 C77 I78 | F37-T74 HydrophobicContact CE2-CG2 4.31Å; A70-T74 VanDerWaalsContact O-CB 3.3Å; A70-T74 WeakPolarHBondContact O-CB 3.34Å; A70-T74 PolarHBondContact O-N 2.79Å; A70-T74 PolarHBondContact O-OG1 3.27Å; Y71-T74 PolarHBondContact O-N 2.92Å; T74-A76 VanDerWaalsContact C-N 3.35Å; T74-A76 PolarHBondContact O-N 2.88Å; T74-C77 PolarHBondContact O-N 3.3Å; T74-I78 HydrophobicContact CG2-CD1 4.01Å; T74-I78 WeakPolarHBondContact O-CG1 3.4Å; T74-I78 PolarHBondContact O-N 3.48Å |
| 75 | L | 80.5 | Confident | 77.9 | Confident | 24 Ų | 24 | 64 Ų | 64 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.3 | -74 | -177.7 | 0 | 0 | 0 | 112.3 | F37 Y71 N72 V73 I78 G79 | F37-L75 HydrophobicContact CE1-CD2 4.47Å; Y71-L75 HydrophobicContact CD1-CD1 3.94Å; Y71-L75 HydrophobicContact CE1-CD1 3.27Å; Y71-L75 HydrophobicContact CE1-CG 4.16Å; Y71-L75 HydrophobicContact CE2-CD1 4.37Å; Y71-L75 PolarHBondContact O-N 3.3Å; N72-L75 PolarHBondContact O-N 3.46Å; V73-L75 PolarHBondContact O-N 3.21Å; L75-I78 PolarHBondContact O-N 3.14Å; L75-G79 PolarHBondContact O-N 2.87Å |
| 76 | A | 81.6 | Confident | 78 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N72 V73 T74 I78 G79 F80 C133 T134 | N72-A76 WeakPolarHBondContact O-CB 3.34Å; N72-A76 PolarHBondContact O-N 3.2Å; V73-A76 WeakPolarHBondContact O-CB 3.48Å; V73-A76 PolarHBondContact O-N 3.4Å; T74-A76 VanDerWaalsContact C-N 3.35Å; T74-A76 PolarHBondContact O-N 2.88Å; A76-I78 PolarHBondContact O-N 3.26Å; A76-G79 PolarHBondContact O-N 3.47Å; A76-F80 VanDerWaalsContact O-CD2 3.22Å; A76-F80 WeakPolarHBondContact O-CD2 3.41Å; A76-F80 PolarHBondContact O-N 3.37Å; A76-C133 HydrophobicContact CB-CB 4.45Å; A76-T134 HydrophobicContact CB-CG2 3.47Å; A76-T134 VanDerWaalsContact CB-CG2 3.47Å |
| 77 | C | 80.5 | Confident | 78.2 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 52% | 0.52 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 176.4 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | V73 T74 G79 F80 F81 | V73-C77 WeakPolarHBondContact O-CB 3.41Å; V73-C77 PolarHBondContact O-N 3.11Å; V73-C77 PolarHBondContact O-SG 3.44Å; T74-C77 PolarHBondContact O-N 3.3Å; C77-G79 VanDerWaalsContact C-N 3.31Å; C77-G79 PolarHBondContact O-N 3.37Å; C77-F80 PolarHBondContact O-N 3.44Å; C77-F81 VanDerWaalsContact O-CB 3.31Å; C77-F81 WeakPolarHBondContact O-CB 3.32Å; C77-F81 PolarHBondContact O-N 3.35Å |
| 78 | I | 80.2 | Confident | 78.3 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.2 | -67.1 | 167.7 | 0 | 0 | 0 | 110.7 | T74 L75 A76 F81 S82 | T74-I78 HydrophobicContact CG2-CD1 4.01Å; T74-I78 WeakPolarHBondContact O-CG1 3.4Å; T74-I78 PolarHBondContact O-N 3.48Å; L75-I78 PolarHBondContact O-N 3.14Å; A76-I78 PolarHBondContact O-N 3.26Å; I78-F81 PolarHBondContact O-N 3.1Å; I78-S82 WeakPolarHBondContact O-CB 3.48Å; I78-S82 PolarHBondContact O-N 3.31Å; I78-S82 PolarHBondContact O-OG 3.44Å |
| 79 | G | 78.4 | Confident | 78.2 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L75 A76 C77 F81 S82 F83 T130 | L75-G79 PolarHBondContact O-N 2.87Å; A76-G79 PolarHBondContact O-N 3.47Å; C77-G79 VanDerWaalsContact C-N 3.31Å; C77-G79 PolarHBondContact O-N 3.37Å; G79-F81 PolarHBondContact O-N 2.89Å; G79-S82 WeakPolarHBondContact O-CB 3.28Å; G79-S82 PolarHBondContact O-N 3.4Å; G79-F83 WeakPolarHBondContact O-CB 3.15Å; G79-F83 PolarHBondContact O-N 3.19Å; G79-T130 WeakPolarHBondContact CA-OG1 3.32Å |
| 80 | F | 81.7 | Confident | 77.9 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.5 | -76.9 | -57.8 | 0 | 0 | 0 | 112.6 | A76 C77 S82 F83 A84 T130 T134 | A76-F80 VanDerWaalsContact O-CD2 3.22Å; A76-F80 WeakPolarHBondContact O-CD2 3.41Å; A76-F80 PolarHBondContact O-N 3.37Å; C77-F80 PolarHBondContact O-N 3.44Å; F80-S82 VanDerWaalsContact C-N 3.32Å; F80-S82 PolarHBondContact O-N 3.32Å; F80-F83 PolarHBondContact O-N 3.49Å; F80-A84 WeakPolarHBondContact O-CB 3.47Å; F80-A84 PolarHBondContact O-N 2.87Å; F80-T130 HydrophobicContact CD1-CG2 4Å; F80-T130 HydrophobicContact CD2-CG2 3.91Å; F80-T130 HydrophobicContact CE1-CG2 4.02Å; F80-T130 HydrophobicContact CE2-CG2 3.96Å; F80-T130 HydrophobicContact CG-CG2 3.93Å; F80-T130 HydrophobicContact CZ-CG2 4Å; F80-T134 HydrophobicContact CE2-CG2 3.52Å; F80-T134 HydrophobicContact CZ-CG2 3.96Å |
| 81 | F | 78.3 | Confident | 77.8 | Confident | 133 Ų | 133 | 59.3 Ų | 59.3 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 176.5 | -177.3 | -104.4 | 0 | 0 | 0 | 111.3 | C77 I78 G79 F83 A84 L85 | C77-F81 VanDerWaalsContact O-CB 3.31Å; C77-F81 WeakPolarHBondContact O-CB 3.32Å; C77-F81 PolarHBondContact O-N 3.35Å; I78-F81 PolarHBondContact O-N 3.1Å; G79-F81 PolarHBondContact O-N 2.89Å; F81-F83 PolarHBondContact O-N 3.48Å; F81-A84 PolarHBondContact O-N 3.37Å; F81-L85 HydrophobicContact CD1-CD1 3.85Å; F81-L85 HydrophobicContact CD1-CG 4.37Å; F81-L85 HydrophobicContact CE1-CD1 3.38Å; F81-L85 HydrophobicContact CE1-CG 4.05Å; F81-L85 HydrophobicContact CZ-CD1 3.86Å; F81-L85 HydrophobicContact CZ-CD2 4.28Å; F81-L85 HydrophobicContact CZ-CG 4.15Å; F81-L85 WeakPolarHBondContact O-CG 3.41Å; F81-L85 PolarHBondContact O-N 2.79Å |
| 82 | S | 76.4 | Confident | 77.5 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | I78 G79 F80 L85 I86 | I78-S82 WeakPolarHBondContact O-CB 3.48Å; I78-S82 PolarHBondContact O-N 3.31Å; I78-S82 PolarHBondContact O-OG 3.44Å; G79-S82 WeakPolarHBondContact O-CB 3.28Å; G79-S82 PolarHBondContact O-N 3.4Å; F80-S82 VanDerWaalsContact C-N 3.32Å; F80-S82 PolarHBondContact O-N 3.32Å; S82-L85 PolarHBondContact O-N 2.98Å; S82-I86 WeakPolarHBondContact O-CD1 3.41Å; S82-I86 VanDerWaalsContact O-CG1 3.24Å; S82-I86 WeakPolarHBondContact O-CG1 3.32Å; S82-I86 PolarHBondContact O-N 3.39Å |
| 83 | F | 77.6 | Confident | 76.9 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 31% | 0.307 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.1 | -177.3 | -98.7 | 0 | 0 | 0 | 112.1 | G79 F80 F81 L85 I86 L87 A122 L123 C126 | G79-F83 WeakPolarHBondContact O-CB 3.15Å; G79-F83 PolarHBondContact O-N 3.19Å; F80-F83 PolarHBondContact O-N 3.49Å; F81-F83 PolarHBondContact O-N 3.48Å; F83-L85 PolarHBondContact O-N 2.89Å; F83-I86 PolarHBondContact O-N 2.88Å; F83-L87 WeakPolarHBondContact O-CB 3.49Å; F83-L87 PolarHBondContact O-N 2.73Å; F83-A122 HydrophobicContact CD2-CB 4.39Å; F83-L123 HydrophobicContact CE2-CD2 4.42Å; F83-C126 HydrophobicContact CD2-CB 4.36Å |
| 84 | A | 78 | Confident | 76.4 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F80 F81 I86 L87 A88 | F80-A84 WeakPolarHBondContact O-CB 3.47Å; F80-A84 PolarHBondContact O-N 2.87Å; F81-A84 PolarHBondContact O-N 3.37Å; A84-I86 VanDerWaalsContact C-N 3.32Å; A84-I86 PolarHBondContact O-N 2.98Å; A84-L87 PolarHBondContact O-N 2.82Å; A84-A88 VanDerWaalsContact O-CB 3.3Å; A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 2.89Å |
| 85 | L | 75.9 | Confident | 76 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.8 | -74.9 | 179.6 | 0 | 0 | 0 | 112.2 | F81 S82 F83 A89 | F81-L85 HydrophobicContact CD1-CD1 3.85Å; F81-L85 HydrophobicContact CD1-CG 4.37Å; F81-L85 HydrophobicContact CE1-CD1 3.38Å; F81-L85 HydrophobicContact CE1-CG 4.05Å; F81-L85 HydrophobicContact CZ-CD1 3.86Å; F81-L85 HydrophobicContact CZ-CD2 4.28Å; F81-L85 HydrophobicContact CZ-CG 4.15Å; F81-L85 WeakPolarHBondContact O-CG 3.41Å; F81-L85 PolarHBondContact O-N 2.79Å; S82-L85 PolarHBondContact O-N 2.98Å; F83-L85 PolarHBondContact O-N 2.89Å; L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 3.32Å |
| 86 | I | 75 | Confident | 75.3 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 14% | 0.144 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 179 | -67.2 | 167.7 | 0 | 0 | 0 | 110.4 | L9 S82 F83 A84 A89 I90 T118 A122 | L9-I86 HydrophobicContact CD1-CG1 4.17Å; S82-I86 WeakPolarHBondContact O-CD1 3.41Å; S82-I86 VanDerWaalsContact O-CG1 3.24Å; S82-I86 WeakPolarHBondContact O-CG1 3.32Å; S82-I86 PolarHBondContact O-N 3.39Å; F83-I86 PolarHBondContact O-N 2.88Å; A84-I86 VanDerWaalsContact C-N 3.32Å; A84-I86 PolarHBondContact O-N 2.98Å; I86-A89 WeakPolarHBondContact O-CB 3.43Å; I86-A89 PolarHBondContact O-N 3.45Å; I86-I90 HydrophobicContact CG2-CD1 3.9Å; I86-I90 HydrophobicContact CG2-CG1 4.47Å; I86-I90 WeakPolarHBondContact O-CG1 3.37Å; I86-I90 PolarHBondContact O-N 3.27Å; I86-T118 HydrophobicContact CD1-CG2 4.27Å; I86-T118 HydrophobicContact CG1-CG2 4.18Å; I86-T118 HydrophobicContact CG2-CG2 3.81Å; I86-A122 HydrophobicContact CB-CB 4.23Å; I86-A122 HydrophobicContact CD1-CB 3.41Å; I86-A122 VanDerWaalsContact CD1-CB 3.41Å; I86-A122 HydrophobicContact CG1-CB 4.37Å; I86-A122 HydrophobicContact CG2-CB 3.83Å |
| 87 | L | 76.9 | Confident | 74.4 | Confident | 85 Ų | 85 | 82.9 Ų | 82.9 | 45% | 0.445 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.9 | -172.6 | 64.9 | 0 | 0 | 0 | 111.2 | F83 A84 A89 I90 I91 | F83-L87 WeakPolarHBondContact O-CB 3.49Å; F83-L87 PolarHBondContact O-N 2.73Å; A84-L87 PolarHBondContact O-N 2.82Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 2.91Å; L87-I90 PolarHBondContact O-N 3.32Å; L87-I90 VanDerWaalsContact O-N 3.16Å; L87-I91 HydrophobicContact CG-CD1 4.09Å; L87-I91 WeakPolarHBondContact O-CG1 3.49Å; L87-I91 PolarHBondContact O-N 3.29Å |
| 88 | A | 76.8 | Confident | 73.5 | Confident | 45 Ų | 45 | 81 Ų | 81 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A84 R92 | A84-A88 VanDerWaalsContact O-CB 3.3Å; A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 2.89Å; A88-R92 WeakPolarHBondContact O-CB 3.3Å; A88-R92 WeakPolarHBondContact O-CG 3.31Å; A88-R92 PolarHBondContact O-N 3.39Å |
| 89 | A | 71.5 | Confident | 72.7 | Confident | 16 Ų | 16 | 86.9 Ų | 86.9 | 13% | 0.132 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L9 L85 I86 L87 L93 | L9-A89 HydrophobicContact CD2-CB 3.46Å; L9-A89 VanDerWaalsContact CD2-CB 3.46Å; L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 3.32Å; I86-A89 WeakPolarHBondContact O-CB 3.43Å; I86-A89 PolarHBondContact O-N 3.45Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 2.91Å; A89-L93 VanDerWaalsContact O-CB 3.29Å; A89-L93 WeakPolarHBondContact O-CB 3.24Å; A89-L93 PolarHBondContact O-N 3.19Å |
| 90 | I | 71 | Confident | 72.2 | Confident | 58 Ų | 58 | 89.4 Ų | 89.4 | 30% | 0.297 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 174.9 | -68.8 | 166.1 | 0 | 0 | 0 | 110.5 | I86 L87 R92 L93 H94 A119 | I86-I90 HydrophobicContact CG2-CD1 3.9Å; I86-I90 HydrophobicContact CG2-CG1 4.47Å; I86-I90 WeakPolarHBondContact O-CG1 3.37Å; I86-I90 PolarHBondContact O-N 3.27Å; L87-I90 PolarHBondContact O-N 3.32Å; L87-I90 VanDerWaalsContact O-N 3.16Å; I90-R92 PolarHBondContact O-N 2.92Å; I90-L93 WeakPolarHBondContact O-CB 3.32Å; I90-L93 PolarHBondContact O-N 3.06Å; I90-H94 PolarHBondContact O-N 3.4Å; I90-H94 VanDerWaalsContact O-N 3.09Å; I90-A119 HydrophobicContact CD1-CB 3.9Å |
| 91 | I | 75.7 | Confident | 71.6 | Confident | 92 Ų | 92 | 88.4 Ų | 88.4 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 177.2 | -66.3 | 165.8 | 0 | 0 | 0 | 109.8 | L87 L93 H94 D95 | L87-I91 HydrophobicContact CG-CD1 4.09Å; L87-I91 WeakPolarHBondContact O-CG1 3.49Å; L87-I91 PolarHBondContact O-N 3.29Å; I91-L93 VanDerWaalsContact C-N 3.28Å; I91-L93 PolarHBondContact O-N 3.45Å; I91-H94 WeakPolarHBondContact O-CA 3.49Å; I91-H94 VanDerWaalsContact O-CB 3.28Å; I91-H94 WeakPolarHBondContact O-CB 3.34Å; I91-H94 PolarHBondContact O-N 2.97Å; I91-D95 PolarHBondContact O-N 3.19Å; I91-D95 VanDerWaalsContact O-N 3.15Å |
| 92 | R | 70.9 | Confident | 71.2 | Confident | 133 Ų | 133 | 85.4 Ų | 85.4 | 50% | 0.502 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 177.9 | -76.5 | -173.8 | 176.3 | -172.6 | 2.6 | 113.6 | V12 A88 I90 H94 D95 L96 | V12-R92 HydrophobicContact CG1-CB 4.46Å; A88-R92 WeakPolarHBondContact O-CB 3.3Å; A88-R92 WeakPolarHBondContact O-CG 3.31Å; A88-R92 PolarHBondContact O-N 3.39Å; I90-R92 PolarHBondContact O-N 2.92Å; R92-H94 PolarHBondContact O-N 2.97Å; R92-D95 PolarHBondContact O-N 2.82Å; R92-L96 PolarHBondContact O-N 3.34Å |
| 93 | L | 69.2 | Low | 70.8 | Confident | 43 Ų | 43 | 86.5 Ų | 86.5 | 23% | 0.225 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 176 | 178.7 | 62.2 | 0 | 0 | 0 | 111.3 | A89 I90 I91 L96 K111 A115 | A89-L93 VanDerWaalsContact O-CB 3.29Å; A89-L93 WeakPolarHBondContact O-CB 3.24Å; A89-L93 PolarHBondContact O-N 3.19Å; I90-L93 WeakPolarHBondContact O-CB 3.32Å; I90-L93 PolarHBondContact O-N 3.06Å; I91-L93 VanDerWaalsContact C-N 3.28Å; I91-L93 PolarHBondContact O-N 3.45Å; L93-L96 HydrophobicContact CD1-CD1 4.3Å; L93-K111 HydrophobicContact CD1-CB 3.85Å; L93-K111 HydrophobicContact CD1-CD 3.53Å; L93-K111 HydrophobicContact CD1-CG 4.21Å; L93-K111 HydrophobicContact CD2-CB 4.1Å; L93-A115 HydrophobicContact CD2-CB 3.71Å |
| 94 | H | 70 | Confident | 70.3 | Confident | 165 Ų | 165 | 88.3 Ų | 88.3 | 76% | 0.764 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.5 | -34.8 | 174.9 | -168.3 | -91.8 | 0 | 0 | 0 | 112.3 | I90 I91 R92 L96 | I90-H94 PolarHBondContact O-N 3.4Å; I90-H94 VanDerWaalsContact O-N 3.09Å; I91-H94 WeakPolarHBondContact O-CA 3.49Å; I91-H94 VanDerWaalsContact O-CB 3.28Å; I91-H94 WeakPolarHBondContact O-CB 3.34Å; I91-H94 PolarHBondContact O-N 2.97Å; R92-H94 PolarHBondContact O-N 2.97Å; H94-L96 VanDerWaalsContact C-N 3.3Å; H94-L96 PolarHBondContact O-N 3.45Å |
| 95 | D | 70.9 | Confident | 69.8 | Low | 106 Ų | 106 | 91.3 Ų | 91.3 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -75.2 | -14 | -179.8 | -65.9 | -23.4 | 0 | 0 | 0 | 114.4 | I91 R92 K97 | I91-D95 PolarHBondContact O-N 3.19Å; I91-D95 VanDerWaalsContact O-N 3.15Å; R92-D95 PolarHBondContact O-N 2.82Å; D95-K97 PolarHBondContact O-N 3.08Å |
| 96 | L | 65.4 | Low | 69.8 | Low | 83 Ų | 83 | 91.8 Ų | 91.8 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | trans | -69.9 | 98.8 | -178.2 | -82.6 | 176.3 | 0 | 0 | 0 | 112.2 | V12 R92 L93 H94 V98 | V12-L96 HydrophobicContact CG1-CD1 3.81Å; R92-L96 PolarHBondContact O-N 3.34Å; L93-L96 HydrophobicContact CD1-CD1 4.3Å; H94-L96 VanDerWaalsContact C-N 3.3Å; H94-L96 PolarHBondContact O-N 3.45Å; L96-V98 PolarHBondContact O-N 2.97Å | ||
| 97 | K | 61.9 | Low | 69.5 | Low | 204 Ų | 204 | 94.3 Ų | 94.3 | 89% | 0.887 | 48% | 0.48 | S | S | * | . | trans | -76.4 | 115.4 | 168.1 | -65.6 | -178.2 | -178.1 | 177.9 | 0 | 110.7 | D95 | D95-K97 PolarHBondContact O-N 3.08Š| ||
| 98 | V | 61.2 | Low | 69.1 | Low | 38 Ų | 38 | 93.8 Ų | 93.8 | 23% | 0.23 | 48% | 0.48 | C | S | . | . | trans | -97.6 | 129.7 | 174.9 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | L96 R104 | L96-V98 PolarHBondContact O-N 2.97Å; V98-R104 HydrophobicContact CB-CB 3.83Å; V98-R104 HydrophobicContact CB-CG 3.78Å; V98-R104 HydrophobicContact CG1-CB 3.75Å; V98-R104 HydrophobicContact CG1-CG 4.28Å; V98-R104 HydrophobicContact CG2-CG 4.28Å | ||
| 99 | K | 64.2 | Low | 68.9 | Low | 215 Ų | 215 | 100.8 Ų | 100.8 | 94% | 0.935 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -72.9 | -34.2 | -175.4 | -65.4 | -171.8 | 179.3 | -175.3 | 0 | 114.6 | ||
| 100 | S | 68.2 | Low | 68.8 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | trans | -98.9 | 124.4 | -177.5 | 172 | 0 | 0 | 0 | 0 | 111.9 | R104 | S100-R104 WeakPolarHBondContact O-CB 3.43Å; S100-R104 PolarHBondContact O-N 3.28Å | ||
| 101 | V | 67.8 | Low | 68.8 | Low | 85 Ų | 85 | 109 Ų | 109 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | -173.4 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | R104 Q105 | V101-R104 WeakPolarHBondContact O-CB 3.29Å; V101-R104 PolarHBondContact O-N 2.98Å; V101-Q105 PolarHBondContact O-N 3.11Å; V101-Q105 VanDerWaalsContact O-N 3.13Å |
| 102 | A | 70.9 | Confident | 68.5 | Low | 69 Ų | 69 | 106.7 Ų | 106.7 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.4 | -46 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R104 | A102-R104 VanDerWaalsContact C-N 3.33Å |
| 103 | V | 68.6 | Low | 68.5 | Low | 72 Ų | 72 | 107.4 Ų | 107.4 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | Q105 I106 Q107 | V103-Q105 PolarHBondContact O-N 2.78Å; V103-I106 PolarHBondContact O-N 3.47Å; V103-Q107 HydrophobicContact CG1-CG 4Å; V103-Q107 WeakPolarHBondContact O-CB 3.48Å; V103-Q107 WeakPolarHBondContact O-CG 3.48Å; V103-Q107 PolarHBondContact O-N 3.31Å |
| 104 | R | 66.6 | Low | 68.5 | Low | 107 Ų | 107 | 108 Ų | 108 | 40% | 0.404 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 176.4 | 179.4 | 174.1 | 78.1 | -169.1 | 8.8 | 111.8 | V98 S100 V101 A102 I106 Q107 V108 | V98-R104 HydrophobicContact CB-CB 3.83Å; V98-R104 HydrophobicContact CB-CG 3.78Å; V98-R104 HydrophobicContact CG1-CB 3.75Å; V98-R104 HydrophobicContact CG1-CG 4.28Å; V98-R104 HydrophobicContact CG2-CG 4.28Å; S100-R104 WeakPolarHBondContact O-CB 3.43Å; S100-R104 PolarHBondContact O-N 3.28Å; V101-R104 WeakPolarHBondContact O-CB 3.29Å; V101-R104 PolarHBondContact O-N 2.98Å; A102-R104 VanDerWaalsContact C-N 3.33Å; R104-I106 PolarHBondContact O-N 2.89Å; R104-Q107 PolarHBondContact O-N 2.84Å; R104-V108 HydrophobicContact CG-CG2 3.79Å; R104-V108 WeakPolarHBondContact O-CB 3.03Å; R104-V108 WeakPolarHBondContact O-CG2 3.06Å; R104-V108 PolarHBondContact O-N 3.37Å |
| 105 | Q | 68.3 | Low | 68.5 | Low | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | -176.6 | -77.3 | -175.3 | -27.7 | 0 | 0 | 112.4 | V101 V103 R109 | V101-Q105 PolarHBondContact O-N 3.11Å; V101-Q105 VanDerWaalsContact O-N 3.13Å; V103-Q105 PolarHBondContact O-N 2.78Å; Q105-R109 WeakPolarHBondContact O-CB 3.46Å; Q105-R109 WeakPolarHBondContact O-CG 3.34Å; Q105-R109 PolarHBondContact O-N 3.42Å |
| 106 | I | 74 | Confident | 68.5 | Low | 105 Ų | 105 | 103.6 Ų | 103.6 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -45.4 | -179.8 | -60.1 | 174 | 0 | 0 | 0 | 110.7 | V103 R104 R109 R110 | V103-I106 PolarHBondContact O-N 3.47Å; R104-I106 PolarHBondContact O-N 2.89Å; I106-R109 PolarHBondContact O-N 2.94Å; I106-R110 PolarHBondContact O-N 2.87Å; I106-R110 VanDerWaalsContact O-N 3.13Å |
| 107 | Q | 69.5 | Low | 68.8 | Low | 82 Ų | 82 | 101.2 Ų | 101.2 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 178.8 | -72.7 | -175.1 | -9.7 | 0 | 0 | 112 | V103 R104 R110 K111 | V103-Q107 HydrophobicContact CG1-CG 4Å; V103-Q107 WeakPolarHBondContact O-CB 3.48Å; V103-Q107 WeakPolarHBondContact O-CG 3.48Å; V103-Q107 PolarHBondContact O-N 3.31Å; R104-Q107 PolarHBondContact O-N 2.84Å; Q107-R110 PolarHBondContact O-N 3.06Å; Q107-K111 VanDerWaalsContact O-CB 3.3Å; Q107-K111 WeakPolarHBondContact O-CB 3.35Å; Q107-K111 WeakPolarHBondContact O-CG 3.29Å; Q107-K111 PolarHBondContact O-N 3.44Å |
| 108 | V | 68.7 | Low | 69.3 | Low | 74 Ų | 74 | 91.6 Ų | 91.6 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 177.9 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | R104 K111 A112 | R104-V108 HydrophobicContact CG-CG2 3.79Å; R104-V108 WeakPolarHBondContact O-CB 3.03Å; R104-V108 WeakPolarHBondContact O-CG2 3.06Å; R104-V108 PolarHBondContact O-N 3.37Å; V108-K111 PolarHBondContact O-N 3.44Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.37Å |
| 109 | R | 72 | Confident | 69.8 | Low | 192 Ų | 192 | 91 Ų | 91 | 73% | 0.725 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.3 | -48.7 | 176.4 | -78.4 | -177.5 | -179.8 | -178.2 | 1.9 | 112.4 | Q105 I106 A112 Q113 | Q105-R109 WeakPolarHBondContact O-CB 3.46Å; Q105-R109 WeakPolarHBondContact O-CG 3.34Å; Q105-R109 PolarHBondContact O-N 3.42Å; I106-R109 PolarHBondContact O-N 2.94Å; R109-A112 PolarHBondContact O-N 3.19Å; R109-Q113 PolarHBondContact O-N 3.33Å |
| 110 | R | 70 | Confident | 70.4 | Confident | 178 Ų | 178 | 82.2 Ų | 82.2 | 67% | 0.672 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 178.1 | -71.8 | -175.9 | -178.8 | -173.2 | 1 | 111.6 | I106 Q107 A112 Q113 I114 | I106-R110 PolarHBondContact O-N 2.87Å; I106-R110 VanDerWaalsContact O-N 3.13Å; Q107-R110 PolarHBondContact O-N 3.06Å; R110-A112 PolarHBondContact O-N 2.85Å; R110-Q113 PolarHBondContact O-N 3.13Å; R110-I114 WeakPolarHBondContact O-CD1 3.23Å; R110-I114 VanDerWaalsContact O-CG1 3.29Å; R110-I114 WeakPolarHBondContact O-CG1 3.41Å; R110-I114 PolarHBondContact O-N 3.27Å |
| 111 | K | 70.9 | Confident | 70.7 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 30% | 0.3 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 178.5 | -69.5 | -179.4 | -174.7 | -175.1 | 0 | 112.2 | L93 Q107 V108 I114 A115 | L93-K111 HydrophobicContact CD1-CB 3.85Å; L93-K111 HydrophobicContact CD1-CD 3.53Å; L93-K111 HydrophobicContact CD1-CG 4.21Å; L93-K111 HydrophobicContact CD2-CB 4.1Å; Q107-K111 VanDerWaalsContact O-CB 3.3Å; Q107-K111 WeakPolarHBondContact O-CB 3.35Å; Q107-K111 WeakPolarHBondContact O-CG 3.29Å; Q107-K111 PolarHBondContact O-N 3.44Å; V108-K111 PolarHBondContact O-N 3.44Å; K111-I114 PolarHBondContact O-N 3.33Å; K111-A115 VanDerWaalsContact O-CB 3.23Å; K111-A115 WeakPolarHBondContact O-CB 3.35Å; K111-A115 PolarHBondContact O-N 3.4Å |
| 112 | A | 69.1 | Low | 71 | Confident | 42 Ų | 42 | 77.2 Ų | 77.2 | 35% | 0.347 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V108 R109 R110 A115 K116 | V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.37Å; R109-A112 PolarHBondContact O-N 3.19Å; R110-A112 PolarHBondContact O-N 2.85Å; A112-A115 PolarHBondContact O-N 3.49Å; A112-K116 WeakPolarHBondContact O-CB 3.37Å; A112-K116 WeakPolarHBondContact O-CG 3.22Å; A112-K116 PolarHBondContact O-N 3.17Å |
| 113 | Q | 71.6 | Confident | 71.3 | Confident | 148 Ų | 148 | 78.6 Ų | 78.6 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 175.2 | -177 | 176.6 | -26.8 | 0 | 0 | 111.4 | R109 R110 K116 S117 | R109-Q113 PolarHBondContact O-N 3.33Å; R110-Q113 PolarHBondContact O-N 3.13Å; Q113-K116 PolarHBondContact O-N 3.47Å; Q113-S117 PolarHBondContact O-N 2.91Å; Q113-S117 VanDerWaalsContact O-N 3.09Å; Q113-S117 PolarHBondContact O-OG 3.5Å |
| 114 | I | 68.7 | Low | 71.8 | Confident | 56 Ų | 56 | 76 Ų | 76 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 176.1 | -65.6 | 162.7 | 0 | 0 | 0 | 110.4 | R110 K111 K116 S117 T118 | R110-I114 WeakPolarHBondContact O-CD1 3.23Å; R110-I114 VanDerWaalsContact O-CG1 3.29Å; R110-I114 WeakPolarHBondContact O-CG1 3.41Å; R110-I114 PolarHBondContact O-N 3.27Å; K111-I114 PolarHBondContact O-N 3.33Å; I114-K116 VanDerWaalsContact C-N 3.32Å; I114-K116 PolarHBondContact O-N 3.36Å; I114-S117 WeakPolarHBondContact CA-OG 3.35Å; I114-S117 PolarHBondContact O-N 3.45Å; I114-S117 VanDerWaalsContact O-N 3.12Å; I114-S117 PolarHBondContact O-OG 2.93Å; I114-T118 WeakPolarHBondContact O-CB 3.3Å; I114-T118 PolarHBondContact O-N 3.47Å; I114-T118 PolarHBondContact O-OG1 3.46Å |
| 115 | A | 69.7 | Low | 72.3 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L93 K111 A112 T118 A119 | L93-A115 HydrophobicContact CD2-CB 3.71Å; K111-A115 VanDerWaalsContact O-CB 3.23Å; K111-A115 WeakPolarHBondContact O-CB 3.35Å; K111-A115 PolarHBondContact O-N 3.4Å; A112-A115 PolarHBondContact O-N 3.49Å; A115-T118 PolarHBondContact O-N 2.85Å; A115-A119 VanDerWaalsContact O-CB 3.22Å; A115-A119 WeakPolarHBondContact O-CB 3.41Å; A115-A119 PolarHBondContact O-N 3.27Å |
| 116 | K | 71.7 | Confident | 72.8 | Confident | 162 Ų | 162 | 68.6 Ų | 68.6 | 70% | 0.704 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 174.1 | -77.1 | -178.2 | -179.5 | -173.9 | 0 | 112.1 | A112 Q113 I114 A120 | A112-K116 WeakPolarHBondContact O-CB 3.37Å; A112-K116 WeakPolarHBondContact O-CG 3.22Å; A112-K116 PolarHBondContact O-N 3.17Å; Q113-K116 PolarHBondContact O-N 3.47Å; I114-K116 VanDerWaalsContact C-N 3.32Å; I114-K116 PolarHBondContact O-N 3.36Å; K116-A120 WeakPolarHBondContact O-CB 3.31Å; K116-A120 PolarHBondContact O-N 2.85Å |
| 117 | S | 71.7 | Confident | 72.9 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.3 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | Q113 I114 L121 | Q113-S117 PolarHBondContact O-N 2.91Å; Q113-S117 VanDerWaalsContact O-N 3.09Å; Q113-S117 PolarHBondContact O-OG 3.5Å; I114-S117 WeakPolarHBondContact CA-OG 3.35Å; I114-S117 PolarHBondContact O-N 3.45Å; I114-S117 VanDerWaalsContact O-N 3.12Å; I114-S117 PolarHBondContact O-OG 2.93Å; S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 2.92Å |
| 118 | T | 71.5 | Confident | 73.3 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | C5 L9 I86 I114 A115 A120 L121 A122 | C5-T118 HydrophobicContact CB-CG2 4.4Å; C5-T118 WeakPolarHBondContact CB-OG1 3.25Å; C5-T118 PolarHBondContact SG-OG1 3.21Å; L9-T118 HydrophobicContact CD1-CG2 3.26Å; L9-T118 HydrophobicContact CD2-CG2 4.01Å; L9-T118 HydrophobicContact CG-CG2 3.95Å; I86-T118 HydrophobicContact CD1-CG2 4.27Å; I86-T118 HydrophobicContact CG1-CG2 4.18Å; I86-T118 HydrophobicContact CG2-CG2 3.81Å; I114-T118 WeakPolarHBondContact O-CB 3.3Å; I114-T118 PolarHBondContact O-N 3.47Å; I114-T118 PolarHBondContact O-OG1 3.46Å; A115-T118 PolarHBondContact O-N 2.85Å; T118-A120 VanDerWaalsContact C-N 3.33Å; T118-A120 PolarHBondContact O-N 3.02Å; T118-L121 PolarHBondContact O-N 3.12Å; T118-A122 WeakPolarHBondContact O-CB 3.37Å; T118-A122 PolarHBondContact O-N 2.95Å |
| 119 | A | 72.5 | Confident | 73.8 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 22% | 0.223 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I90 A115 L121 A122 L123 | I90-A119 HydrophobicContact CD1-CB 3.9Å; A115-A119 VanDerWaalsContact O-CB 3.22Å; A115-A119 WeakPolarHBondContact O-CB 3.41Å; A115-A119 PolarHBondContact O-N 3.27Å; A119-L121 VanDerWaalsContact C-N 3.35Å; A119-L121 PolarHBondContact O-N 3.4Å; A119-A122 PolarHBondContact O-N 2.89Å; A119-L123 WeakPolarHBondContact O-CB 3.5Å; A119-L123 WeakPolarHBondContact O-CG 3.37Å; A119-L123 PolarHBondContact O-N 2.85Å |
| 120 | A | 75.7 | Confident | 74.2 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 24% | 0.24 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K116 T118 A124 | K116-A120 WeakPolarHBondContact O-CB 3.31Å; K116-A120 PolarHBondContact O-N 2.85Å; T118-A120 VanDerWaalsContact C-N 3.33Å; T118-A120 PolarHBondContact O-N 3.02Å; A120-A124 WeakPolarHBondContact O-CB 3.37Å; A120-A124 PolarHBondContact O-N 2.8Å |
| 121 | L | 75.2 | Confident | 74.8 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 174.9 | 176.8 | 71 | 0 | 0 | 0 | 111.7 | T2 S117 T118 A119 A124 V125 Y163 | T2-L121 HydrophobicContact CG2-CD1 3.98Å; T2-L121 HydrophobicContact CG2-CD2 3.52Å; T2-L121 HydrophobicContact CG2-CG 4.4Å; S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 2.92Å; T118-L121 PolarHBondContact O-N 3.12Å; A119-L121 VanDerWaalsContact C-N 3.35Å; A119-L121 PolarHBondContact O-N 3.4Å; L121-A124 WeakPolarHBondContact O-CB 3.47Å; L121-A124 PolarHBondContact O-N 3.27Å; L121-V125 HydrophobicContact CD1-CG2 4.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.13Å; L121-V125 PolarHBondContact O-N 3.25Å; L121-Y163 HydrophobicContact CD1-CE1 4.49Å; L121-Y163 WeakPolarHBondContact CD1-OH 3.42Å |
| 122 | A | 74 | Confident | 75.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F83 I86 T118 A119 A124 V125 C126 | F83-A122 HydrophobicContact CD2-CB 4.39Å; I86-A122 HydrophobicContact CB-CB 4.23Å; I86-A122 HydrophobicContact CD1-CB 3.41Å; I86-A122 VanDerWaalsContact CD1-CB 3.41Å; I86-A122 HydrophobicContact CG1-CB 4.37Å; I86-A122 HydrophobicContact CG2-CB 3.83Å; T118-A122 WeakPolarHBondContact O-CB 3.37Å; T118-A122 PolarHBondContact O-N 2.95Å; A119-A122 PolarHBondContact O-N 2.89Å; A122-A124 VanDerWaalsContact C-N 3.33Å; A122-V125 PolarHBondContact O-N 2.78Å; A122-C126 VanDerWaalsContact O-CB 3.32Å; A122-C126 WeakPolarHBondContact O-CB 3.23Å; A122-C126 PolarHBondContact O-N 2.85Å |
| 123 | L | 77.9 | Confident | 76 | Confident | 99 Ų | 99 | 44.2 Ų | 44.2 | 52% | 0.518 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.5 | -75.9 | 165.3 | 0 | 0 | 0 | 110.6 | F83 A119 C126 V127 | F83-L123 HydrophobicContact CE2-CD2 4.42Å; A119-L123 WeakPolarHBondContact O-CB 3.5Å; A119-L123 WeakPolarHBondContact O-CG 3.37Å; A119-L123 PolarHBondContact O-N 2.85Å; L123-C126 PolarHBondContact O-N 3.4Å; L123-V127 WeakPolarHBondContact O-CB 3.42Å; L123-V127 VanDerWaalsContact O-CG2 3.31Å; L123-V127 WeakPolarHBondContact O-CG2 3.49Å; L123-V127 PolarHBondContact O-N 2.89Å |
| 124 | A | 77.8 | Confident | 76.5 | Confident | 16 Ų | 16 | 39 Ų | 39 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -50.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A120 L121 A122 C126 V127 V128 Y163 | A120-A124 WeakPolarHBondContact O-CB 3.37Å; A120-A124 PolarHBondContact O-N 2.8Å; L121-A124 WeakPolarHBondContact O-CB 3.47Å; L121-A124 PolarHBondContact O-N 3.27Å; A122-A124 VanDerWaalsContact C-N 3.33Å; A124-C126 VanDerWaalsContact C-N 3.27Å; A124-C126 PolarHBondContact O-N 3.36Å; A124-V127 PolarHBondContact O-N 2.93Å; A124-V128 WeakPolarHBondContact O-CB 3.36Å; A124-V128 WeakPolarHBondContact O-CG2 3.35Å; A124-V128 PolarHBondContact O-N 3.15Å; A124-Y163 HydrophobicContact CB-CD2 3.48Å; A124-Y163 VanDerWaalsContact CB-CD2 3.48Å; A124-Y163 HydrophobicContact CB-CE2 3.65Å; A124-Y163 HydrophobicContact CB-CG 4.03Å |
| 125 | V | 77.7 | Confident | 77.2 | Confident | 53 Ų | 53 | 39.7 Ų | 39.7 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59 | -39.9 | 177 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | L121 A122 Q129 T130 | L121-V125 HydrophobicContact CD1-CG2 4.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.13Å; L121-V125 PolarHBondContact O-N 3.25Å; A122-V125 PolarHBondContact O-N 2.78Å; V125-Q129 WeakPolarHBondContact O-CA 3.42Å; V125-Q129 WeakPolarHBondContact O-CB 3.36Å; V125-Q129 PolarHBondContact O-N 3.24Å; V125-T130 PolarHBondContact O-N 2.63Å; V125-T130 VanDerWaalsContact O-N 3.13Å; V125-T130 PolarHBondContact O-OG1 3.03Å |
| 126 | C | 78.2 | Confident | 77.9 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 12% | 0.122 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -63.7 | -50.6 | 178.5 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | F83 A122 L123 A124 T130 I131 | F83-C126 HydrophobicContact CD2-CB 4.36Å; A122-C126 VanDerWaalsContact O-CB 3.32Å; A122-C126 WeakPolarHBondContact O-CB 3.23Å; A122-C126 PolarHBondContact O-N 2.85Å; L123-C126 PolarHBondContact O-N 3.4Å; A124-C126 VanDerWaalsContact C-N 3.27Å; A124-C126 PolarHBondContact O-N 3.36Å; C126-T130 PolarHBondContact O-N 3.34Å; C126-I131 PolarHBondContact O-N 3.05Å |
| 127 | V | 77.8 | Confident | 78.2 | Confident | 68 Ų | 68 | 31.5 Ų | 31.5 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | I | π-helix | trans | -70.1 | -39.1 | -178.2 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | L123 A124 P132 | L123-V127 WeakPolarHBondContact O-CB 3.42Å; L123-V127 VanDerWaalsContact O-CG2 3.31Å; L123-V127 WeakPolarHBondContact O-CG2 3.49Å; L123-V127 PolarHBondContact O-N 2.89Å; A124-V127 PolarHBondContact O-N 2.93Å; V127-P132 WeakPolarHBondContact O-CD 3.39Å; V127-P132 WeakPolarHBondContact O-CG 3.36Å |
| 128 | V | 76.7 | Confident | 78.7 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -83 | -31.9 | -172.4 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | A124 Y160 | A124-V128 WeakPolarHBondContact O-CB 3.36Å; A124-V128 WeakPolarHBondContact O-CG2 3.35Å; A124-V128 PolarHBondContact O-N 3.15Å; V128-Y160 HydrophobicContact CG1-CD1 3.42Å; V128-Y160 VanDerWaalsContact CG1-CD1 3.42Å; V128-Y160 HydrophobicContact CG1-CD2 3.58Å; V128-Y160 HydrophobicContact CG1-CE1 3.16Å; V128-Y160 HydrophobicContact CG1-CE2 3.32Å; V128-Y160 HydrophobicContact CG1-CG 3.61Å |
| 129 | Q | 79.1 | Confident | 79.3 | Confident | 69 Ų | 69 | 33.9 Ų | 33.9 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -126.6 | -53.6 | -171.3 | -171.9 | 178.5 | 2.9 | 0 | 0 | 112.5 | V125 P132 C133 | V125-Q129 WeakPolarHBondContact O-CA 3.42Å; V125-Q129 WeakPolarHBondContact O-CB 3.36Å; V125-Q129 PolarHBondContact O-N 3.24Å; Q129-P132 WeakPolarHBondContact O-CD 3.22Å; Q129-C133 WeakPolarHBondContact O-CB 3.34Å; Q129-C133 PolarHBondContact O-N 2.78Å; Q129-C133 PolarHBondContact O-SG 2.95Å |
| 130 | T | 81.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -64.8 | -51.2 | -171.4 | -47.8 | 0 | 0 | 0 | 0 | 112.2 | G79 F80 V125 C126 T134 | G79-T130 WeakPolarHBondContact CA-OG1 3.32Å; F80-T130 HydrophobicContact CD1-CG2 4Å; F80-T130 HydrophobicContact CD2-CG2 3.91Å; F80-T130 HydrophobicContact CE1-CG2 4.02Å; F80-T130 HydrophobicContact CE2-CG2 3.96Å; F80-T130 HydrophobicContact CG-CG2 3.93Å; F80-T130 HydrophobicContact CZ-CG2 4Å; V125-T130 PolarHBondContact O-N 2.63Å; V125-T130 VanDerWaalsContact O-N 3.13Å; V125-T130 PolarHBondContact O-OG1 3.03Å; C126-T130 PolarHBondContact O-N 3.34Å; T130-T134 WeakPolarHBondContact O-CG2 3.45Å; T130-T134 PolarHBondContact O-N 2.98Å; T130-T134 PolarHBondContact O-OG1 3.15Å |
| 131 | I | 82.9 | Confident | 79.7 | Confident | 73 Ų | 73 | 35.3 Ų | 35.3 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.2 | -50.8 | 179.9 | -68.4 | 170.8 | 0 | 0 | 0 | 110.7 | C126 C133 T134 I135 | C126-I131 PolarHBondContact O-N 3.05Å; I131-C133 PolarHBondContact O-N 3.36Å; I131-T134 WeakPolarHBondContact CA-OG1 3.29Å; I131-T134 PolarHBondContact O-N 2.76Å; I131-T134 VanDerWaalsContact O-N 3.15Å; I131-T134 PolarHBondContact O-OG1 3.03Å; I131-I135 HydrophobicContact CG2-CD1 3.62Å; I131-I135 HydrophobicContact CG2-CG1 4.34Å; I131-I135 WeakPolarHBondContact O-CG1 3.46Å; I131-I135 PolarHBondContact O-N 3.39Å |
| 132 | P | 82.3 | Confident | 80 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 179.1 | -26.7 | 37.5 | 0 | 0 | 0 | 114 | V127 Q129 T134 I135 A136 T152 C156 | V127-P132 WeakPolarHBondContact O-CD 3.39Å; V127-P132 WeakPolarHBondContact O-CG 3.36Å; Q129-P132 WeakPolarHBondContact O-CD 3.22Å; P132-T134 VanDerWaalsContact C-N 3.33Å; P132-T134 PolarHBondContact O-N 3.43Å; P132-I135 PolarHBondContact O-N 2.96Å; P132-A136 VanDerWaalsContact O-CB 3.27Å; P132-A136 WeakPolarHBondContact O-CB 3.37Å; P132-A136 PolarHBondContact O-N 3.39Å; P132-T152 HydrophobicContact CB-CG2 3.79Å; P132-C156 WeakPolarHBondContact CB-SG 3.49Å; P132-C156 WeakPolarHBondContact CG-SG 3.47Å |
| 133 | C | 81.9 | Confident | 79.9 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 174.6 | -73.6 | 0 | 0 | 0 | 0 | 112.1 | N72 A76 Q129 I131 A137 | N72-C133 HydrophobicContact CB-CB 4.39Å; N72-C133 PolarHBondContact OD1-SG 3.07Å; A76-C133 HydrophobicContact CB-CB 4.45Å; Q129-C133 WeakPolarHBondContact O-CB 3.34Å; Q129-C133 PolarHBondContact O-N 2.78Å; Q129-C133 PolarHBondContact O-SG 2.95Å; I131-C133 PolarHBondContact O-N 3.36Å; C133-A137 WeakPolarHBondContact O-CB 3.21Å; C133-A137 PolarHBondContact O-N 2.9Å |
| 134 | T | 82 | Confident | 79.5 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 23% | 0.233 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 173.9 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | A76 F80 T130 I131 P132 T138 | A76-T134 HydrophobicContact CB-CG2 3.47Å; A76-T134 VanDerWaalsContact CB-CG2 3.47Å; F80-T134 HydrophobicContact CE2-CG2 3.52Å; F80-T134 HydrophobicContact CZ-CG2 3.96Å; T130-T134 WeakPolarHBondContact O-CG2 3.45Å; T130-T134 PolarHBondContact O-N 2.98Å; T130-T134 PolarHBondContact O-OG1 3.15Å; I131-T134 WeakPolarHBondContact CA-OG1 3.29Å; I131-T134 PolarHBondContact O-N 2.76Å; I131-T134 VanDerWaalsContact O-N 3.15Å; I131-T134 PolarHBondContact O-OG1 3.03Å; P132-T134 VanDerWaalsContact C-N 3.33Å; P132-T134 PolarHBondContact O-N 3.43Å; T134-T138 WeakPolarHBondContact O-CB 3.5Å; T134-T138 PolarHBondContact O-N 3.27Å; T134-T138 VanDerWaalsContact O-N 3.07Å; T134-T138 PolarHBondContact O-OG1 3.18Å |
| 135 | I | 84.6 | Confident | 79.3 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.6 | -48 | 179.9 | -67.8 | 170.3 | 0 | 0 | 0 | 109.4 | I131 P132 A137 T138 I139 T152 | I131-I135 HydrophobicContact CG2-CD1 3.62Å; I131-I135 HydrophobicContact CG2-CG1 4.34Å; I131-I135 WeakPolarHBondContact O-CG1 3.46Å; I131-I135 PolarHBondContact O-N 3.39Å; P132-I135 PolarHBondContact O-N 2.96Å; I135-A137 PolarHBondContact O-N 2.8Å; I135-T138 PolarHBondContact O-N 3.49Å; I135-T138 VanDerWaalsContact O-N 3.09Å; I135-I139 HydrophobicContact CG2-CD1 3.52Å; I135-I139 HydrophobicContact CG2-CG1 4.12Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.31Å; I135-I139 PolarHBondContact O-N 2.86Å; I135-T152 HydrophobicContact CB-CG2 4.02Å; I135-T152 HydrophobicContact CG2-CG2 3.89Å; I135-T152 WeakPolarHBondContact CG2-OG1 3.48Å |
| 136 | A | 82.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.1 | -48.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | P132 T138 I139 V140 L149 W153 | P132-A136 VanDerWaalsContact O-CB 3.27Å; P132-A136 WeakPolarHBondContact O-CB 3.37Å; P132-A136 PolarHBondContact O-N 3.39Å; A136-T138 VanDerWaalsContact C-N 3.26Å; A136-T138 PolarHBondContact O-N 3.46Å; A136-I139 PolarHBondContact O-N 3.46Å; A136-V140 WeakPolarHBondContact O-CB 3.27Å; A136-V140 VanDerWaalsContact O-CG2 3.27Å; A136-V140 WeakPolarHBondContact O-CG2 3.04Å; A136-V140 PolarHBondContact O-N 3.21Å; A136-L149 HydrophobicContact CB-CD1 3.63Å; A136-W153 HydrophobicContact CB-CZ2 4.4Å |
| 137 | A | 79.7 | Confident | 78.9 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N72 V73 C133 I135 S141 | N72-A137 HydrophobicContact CB-CB 4.08Å; V73-A137 HydrophobicContact CG2-CB 3.85Å; C133-A137 WeakPolarHBondContact O-CB 3.21Å; C133-A137 PolarHBondContact O-N 2.9Å; I135-A137 PolarHBondContact O-N 2.8Å; A137-S141 VanDerWaalsContact O-CB 3.27Å; A137-S141 WeakPolarHBondContact O-CB 3.31Å; A137-S141 PolarHBondContact O-N 2.87Å; A137-S141 PolarHBondContact O-OG 3.31Å; A137-S141 VanDerWaalsContact O-OG 3.13Å |
| 138 | T | 81.8 | Confident | 79 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.9 | -41.9 | -179.6 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | T134 I135 A136 V140 S141 N142 | T134-T138 WeakPolarHBondContact O-CB 3.5Å; T134-T138 PolarHBondContact O-N 3.27Å; T134-T138 VanDerWaalsContact O-N 3.07Å; T134-T138 PolarHBondContact O-OG1 3.18Å; I135-T138 PolarHBondContact O-N 3.49Å; I135-T138 VanDerWaalsContact O-N 3.09Å; A136-T138 VanDerWaalsContact C-N 3.26Å; A136-T138 PolarHBondContact O-N 3.46Å; T138-V140 VanDerWaalsContact C-N 3.35Å; T138-S141 WeakPolarHBondContact CA-OG 3.34Å; T138-S141 PolarHBondContact O-OG 3.28Å; T138-S141 VanDerWaalsContact O-OG 3.05Å; T138-N142 VanDerWaalsContact O-CB 3.29Å; T138-N142 WeakPolarHBondContact O-CB 3.37Å; T138-N142 VanDerWaalsContact O-CG 3.24Å; T138-N142 PolarHBondContact O-N 3.47Å; T138-N142 VanDerWaalsContact O-N 3.09Å; T138-N142 PolarHBondContact O-ND2 3.38Å |
| 139 | I | 82.9 | Confident | 79 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 176.3 | -73.2 | 172.1 | 0 | 0 | 0 | 109.1 | I135 A136 N142 G143 M144 A148 L149 | I135-I139 HydrophobicContact CG2-CD1 3.52Å; I135-I139 HydrophobicContact CG2-CG1 4.12Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.31Å; I135-I139 PolarHBondContact O-N 2.86Å; A136-I139 PolarHBondContact O-N 3.46Å; I139-N142 PolarHBondContact O-N 2.98Å; I139-G143 PolarHBondContact O-N 3.39Å; I139-G143 VanDerWaalsContact O-N 3.12Å; I139-M144 HydrophobicContact CB-CB 4.31Å; I139-M144 HydrophobicContact CG1-SD 4.25Å; I139-M144 HydrophobicContact CG2-CB 3.82Å; I139-M144 PolarHBondContact O-N 2.92Å; I139-A148 HydrophobicContact CD1-CB 3.76Å; I139-A148 HydrophobicContact CG1-CB 4.47Å; I139-L149 HydrophobicContact CG2-CB 4.3Å |
| 140 | V | 79 | Confident | 79 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.5 | -39.7 | -177.2 | 175.6 | 0 | 0 | 0 | 0 | 112 | E60 L65 Y68 V69 A136 T138 N142 G143 L149 | E60-V140 VanDerWaalsContact OE1-CG2 3.23Å; E60-V140 WeakPolarHBondContact OE1-CG2 3.33Å; L65-V140 HydrophobicContact CD1-CG1 3.21Å; L65-V140 HydrophobicContact CG-CG1 3.97Å; Y68-V140 HydrophobicContact CD1-CB 4.5Å; Y68-V140 HydrophobicContact CD1-CG1 4.17Å; Y68-V140 HydrophobicContact CD1-CG2 4.24Å; Y68-V140 HydrophobicContact CE1-CB 4.37Å; Y68-V140 HydrophobicContact CE1-CG1 4.46Å; Y68-V140 HydrophobicContact CE1-CG2 3.72Å; V69-V140 HydrophobicContact CG2-CB 4.23Å; V69-V140 HydrophobicContact CG2-CG1 3.69Å; A136-V140 WeakPolarHBondContact O-CB 3.27Å; A136-V140 VanDerWaalsContact O-CG2 3.27Å; A136-V140 WeakPolarHBondContact O-CG2 3.04Å; A136-V140 PolarHBondContact O-N 3.21Å; T138-V140 VanDerWaalsContact C-N 3.35Å; V140-N142 VanDerWaalsContact C-N 3.28Å; V140-N142 PolarHBondContact O-N 2.89Å; V140-G143 PolarHBondContact O-N 3.29Å; V140-L149 HydrophobicContact CG2-CD1 4.39Å |
| 141 | S | 77.9 | Confident | 78.9 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -29.9 | 176.6 | 67 | 0 | 0 | 0 | 0 | 113.4 | A137 T138 | A137-S141 VanDerWaalsContact O-CB 3.27Å; A137-S141 WeakPolarHBondContact O-CB 3.31Å; A137-S141 PolarHBondContact O-N 2.87Å; A137-S141 PolarHBondContact O-OG 3.31Å; A137-S141 VanDerWaalsContact O-OG 3.13Å; T138-S141 WeakPolarHBondContact CA-OG 3.34Å; T138-S141 PolarHBondContact O-OG 3.28Å; T138-S141 VanDerWaalsContact O-OG 3.05Å |
| 142 | N | 81.3 | Confident | 78.8 | Confident | 108 Ų | 108 | 53 Ų | 53 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -3 | -179.2 | -68.3 | -18.9 | 0 | 0 | 0 | 113.2 | T138 I139 V140 M144 | T138-N142 VanDerWaalsContact O-CB 3.29Å; T138-N142 WeakPolarHBondContact O-CB 3.37Å; T138-N142 VanDerWaalsContact O-CG 3.24Å; T138-N142 PolarHBondContact O-N 3.47Å; T138-N142 VanDerWaalsContact O-N 3.09Å; T138-N142 PolarHBondContact O-ND2 3.38Å; I139-N142 PolarHBondContact O-N 2.98Å; V140-N142 VanDerWaalsContact C-N 3.28Å; V140-N142 PolarHBondContact O-N 2.89Å; N142-M144 VanDerWaalsContact C-N 3.29Å; N142-M144 HydrophobicContact CB-CG 3.96Å; N142-M144 HydrophobicContact CB-SD 4.4Å; N142-M144 PolarHBondContact O-N 3.29Å |
| 143 | G | 72.3 | Confident | 78.8 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 71% | 0.711 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 34.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I139 V140 | I139-G143 PolarHBondContact O-N 3.39Å; I139-G143 VanDerWaalsContact O-N 3.12Å; V140-G143 PolarHBondContact O-N 3.29Å |
| 144 | M | 69.6 | Low | 78.7 | Confident | 104 Ų | 104 | 62 Ų | 62 | 51% | 0.512 | 36% | 0.355 | S | S | . | . | trans | -74.5 | 163.9 | 177.2 | -70.2 | -179.6 | 67.2 | 0 | 0 | 111.9 | I139 N142 | I139-M144 HydrophobicContact CB-CB 4.31Å; I139-M144 HydrophobicContact CG1-SD 4.25Å; I139-M144 HydrophobicContact CG2-CB 3.82Å; I139-M144 PolarHBondContact O-N 2.92Å; N142-M144 VanDerWaalsContact C-N 3.29Å; N142-M144 HydrophobicContact CB-CG 3.96Å; N142-M144 HydrophobicContact CB-SD 4.4Å; N142-M144 PolarHBondContact O-N 3.29Å | ||
| 145 | D | 74.3 | Confident | 78.7 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 66% | 0.658 | 37% | 0.367 | S | S | * | . | trans | -55.1 | 137.6 | -176.6 | -68.6 | -26.3 | 0 | 0 | 0 | 114.1 | T147 A148 | D145-T147 PolarHBondContact O-N 3.11Å; D145-T147 VanDerWaalsContact O-N 3.14Å; D145-A148 WeakPolarHBondContact O-CB 3.47Å; D145-A148 PolarHBondContact O-N 2.93Å | ||
| 146 | E | 72 | Confident | 78.6 | Confident | 136 Ų | 136 | 61.4 Ų | 61.4 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53.9 | -32.6 | 174.8 | -64.6 | 177.6 | -178.5 | 0 | 0 | 112.5 | A148 L149 D150 | E146-A148 VanDerWaalsContact C-N 3.29Å; E146-A148 PolarHBondContact O-N 2.81Å; E146-L149 VanDerWaalsContact O-CB 3.32Å; E146-L149 WeakPolarHBondContact O-CB 3.5Å; E146-L149 PolarHBondContact O-N 2.87Å; E146-L149 VanDerWaalsContact O-N 3.1Å; E146-D150 PolarHBondContact O-N 2.84Å |
| 147 | T | 75.8 | Confident | 78.5 | Confident | 93 Ų | 93 | 66.1 Ų | 66.1 | 57% | 0.571 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.1 | -31.9 | 178.8 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | D145 L149 T151 | D145-T147 PolarHBondContact O-N 3.11Å; D145-T147 VanDerWaalsContact O-N 3.14Å; T147-L149 VanDerWaalsContact C-N 3.32Å; T147-T151 WeakPolarHBondContact O-CB 3.43Å; T147-T151 PolarHBondContact O-N 2.83Å; T147-T151 VanDerWaalsContact O-N 3.07Å; T147-T151 PolarHBondContact O-OG1 3.07Å |
| 148 | A | 78.1 | Confident | 78.6 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 25% | 0.248 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.3 | -34.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | I139 D145 E146 T152 | I139-A148 HydrophobicContact CD1-CB 3.76Å; I139-A148 HydrophobicContact CG1-CB 4.47Å; D145-A148 WeakPolarHBondContact O-CB 3.47Å; D145-A148 PolarHBondContact O-N 2.93Å; E146-A148 VanDerWaalsContact C-N 3.29Å; E146-A148 PolarHBondContact O-N 2.81Å; A148-T152 WeakPolarHBondContact O-CB 3.24Å; A148-T152 PolarHBondContact O-N 3.31Å; A148-T152 PolarHBondContact O-OG1 3.48Å |
| 149 | L | 77.6 | Confident | 78.6 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 175.7 | -173.7 | 73.5 | 0 | 0 | 0 | 111.2 | E60 A136 I139 V140 E146 T147 T151 T152 W153 | E60-L149 VanDerWaalsContact CD-CD2 3.46Å; E60-L149 WeakPolarHBondContact OE1-CD2 3.43Å; A136-L149 HydrophobicContact CB-CD1 3.63Å; I139-L149 HydrophobicContact CG2-CB 4.3Å; V140-L149 HydrophobicContact CG2-CD1 4.39Å; E146-L149 VanDerWaalsContact O-CB 3.32Å; E146-L149 WeakPolarHBondContact O-CB 3.5Å; E146-L149 PolarHBondContact O-N 2.87Å; E146-L149 VanDerWaalsContact O-N 3.1Å; T147-L149 VanDerWaalsContact C-N 3.32Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 2.7Å; L149-T152 WeakPolarHBondContact O-CA 3.38Å; L149-T152 VanDerWaalsContact O-CB 3.29Å; L149-T152 WeakPolarHBondContact O-CB 3.4Å; L149-T152 PolarHBondContact O-N 3.44Å; L149-W153 VanDerWaalsContact O-CD1 3.26Å; L149-W153 PolarHBondContact O-N 2.91Å |
| 150 | D | 78.2 | Confident | 78.4 | Confident | 58 Ų | 58 | 72.6 Ų | 72.6 | 31% | 0.31 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 176.2 | -78.8 | -17.7 | 0 | 0 | 0 | 111.7 | Y58 E146 T152 W153 L154 | Y58-D150 WeakPolarHBondContact CE1-OD1 3.31Å; Y58-D150 PolarHBondContact OH-OD2 3.38Å; E146-D150 PolarHBondContact O-N 2.84Å; D150-T152 VanDerWaalsContact C-N 3.28Å; D150-T152 PolarHBondContact O-N 3.14Å; D150-W153 PolarHBondContact O-N 3.38Å; D150-L154 WeakPolarHBondContact O-CB 3.32Å; D150-L154 WeakPolarHBondContact O-CG 3.33Å; D150-L154 PolarHBondContact O-N 3.3Å |
| 151 | T | 79.7 | Confident | 78.5 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.9 | -56 | 0 | 0 | 0 | 0 | 111.2 | T147 L149 L154 I155 | T147-T151 WeakPolarHBondContact O-CB 3.43Å; T147-T151 PolarHBondContact O-N 2.83Å; T147-T151 VanDerWaalsContact O-N 3.07Å; T147-T151 PolarHBondContact O-OG1 3.07Å; L149-T151 VanDerWaalsContact C-N 3.28Å; L149-T151 PolarHBondContact O-N 2.7Å; T151-L154 PolarHBondContact O-N 3.09Å; T151-I155 HydrophobicContact CG2-CD1 4.29Å; T151-I155 VanDerWaalsContact O-CG1 3.31Å; T151-I155 WeakPolarHBondContact O-CG1 3.27Å; T151-I155 PolarHBondContact O-N 3.02Å |
| 152 | T | 82.4 | Confident | 78.6 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.8 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | P132 I135 A148 L149 D150 I155 C156 | P132-T152 HydrophobicContact CB-CG2 3.79Å; I135-T152 HydrophobicContact CB-CG2 4.02Å; I135-T152 HydrophobicContact CG2-CG2 3.89Å; I135-T152 WeakPolarHBondContact CG2-OG1 3.48Å; A148-T152 WeakPolarHBondContact O-CB 3.24Å; A148-T152 PolarHBondContact O-N 3.31Å; A148-T152 PolarHBondContact O-OG1 3.48Å; L149-T152 WeakPolarHBondContact O-CA 3.38Å; L149-T152 VanDerWaalsContact O-CB 3.29Å; L149-T152 WeakPolarHBondContact O-CB 3.4Å; L149-T152 PolarHBondContact O-N 3.44Å; D150-T152 VanDerWaalsContact C-N 3.28Å; D150-T152 PolarHBondContact O-N 3.14Å; T152-I155 PolarHBondContact O-N 2.86Å; T152-C156 PolarHBondContact O-N 3.05Å; T152-C156 PolarHBondContact O-SG 3.1Å; T152-C156 VanDerWaalsContact O-SG 3.37Å |
| 153 | W | 81.8 | Confident | 78.4 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 177.7 | -71.4 | 117.7 | 0 | 0 | 0 | 113.2 | A136 L149 D150 I155 C156 I157 | A136-W153 HydrophobicContact CB-CZ2 4.4Å; L149-W153 VanDerWaalsContact O-CD1 3.26Å; L149-W153 PolarHBondContact O-N 2.91Å; D150-W153 PolarHBondContact O-N 3.38Å; W153-I155 VanDerWaalsContact C-N 3.31Å; W153-I155 PolarHBondContact O-N 3.46Å; W153-C156 HydrophobicContact CE3-CB 4.35Å; W153-C156 VanDerWaalsContact O-CB 3.23Å; W153-C156 WeakPolarHBondContact O-CB 3.38Å; W153-C156 PolarHBondContact O-N 3.44Å; W153-C156 VanDerWaalsContact O-N 3.12Å; W153-I157 WeakPolarHBondContact O-CG1 3.49Å; W153-I157 PolarHBondContact O-N 3.3Å |
| 154 | L | 80.3 | Confident | 78.7 | Confident | 106 Ų | 106 | 74.7 Ų | 74.7 | 56% | 0.555 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.1 | -42 | 172.6 | -77.7 | 171 | 0 | 0 | 0 | 111.5 | D150 T151 C156 I157 V158 | D150-L154 WeakPolarHBondContact O-CB 3.32Å; D150-L154 WeakPolarHBondContact O-CG 3.33Å; D150-L154 PolarHBondContact O-N 3.3Å; T151-L154 PolarHBondContact O-N 3.09Å; L154-C156 VanDerWaalsContact C-N 3.29Å; L154-C156 PolarHBondContact O-N 3.04Å; L154-I157 PolarHBondContact O-N 3Å; L154-V158 WeakPolarHBondContact O-CG2 3.47Å; L154-V158 PolarHBondContact O-N 2.87Å |
| 155 | I | 81.7 | Confident | 79.2 | Confident | 94 Ų | 94 | 77.2 Ų | 77.2 | 48% | 0.482 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 174.5 | -67.8 | 164.6 | 0 | 0 | 0 | 110.9 | T151 T152 W153 S159 | T151-I155 HydrophobicContact CG2-CD1 4.29Å; T151-I155 VanDerWaalsContact O-CG1 3.31Å; T151-I155 WeakPolarHBondContact O-CG1 3.27Å; T151-I155 PolarHBondContact O-N 3.02Å; T152-I155 PolarHBondContact O-N 2.86Å; W153-I155 VanDerWaalsContact C-N 3.31Å; W153-I155 PolarHBondContact O-N 3.46Å; I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.32Å; I155-S159 PolarHBondContact O-N 2.95Å; I155-S159 PolarHBondContact O-OG 2.91Å |
| 156 | C | 82.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.02 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.7 | -52.6 | 173.1 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | P132 T152 W153 L154 V158 S159 Y160 | P132-C156 WeakPolarHBondContact CB-SG 3.49Å; P132-C156 WeakPolarHBondContact CG-SG 3.47Å; T152-C156 PolarHBondContact O-N 3.05Å; T152-C156 PolarHBondContact O-SG 3.1Å; T152-C156 VanDerWaalsContact O-SG 3.37Å; W153-C156 HydrophobicContact CE3-CB 4.35Å; W153-C156 VanDerWaalsContact O-CB 3.23Å; W153-C156 WeakPolarHBondContact O-CB 3.38Å; W153-C156 PolarHBondContact O-N 3.44Å; W153-C156 VanDerWaalsContact O-N 3.12Å; L154-C156 VanDerWaalsContact C-N 3.29Å; L154-C156 PolarHBondContact O-N 3.04Å; C156-V158 VanDerWaalsContact C-N 3.35Å; C156-V158 PolarHBondContact O-N 2.86Å; C156-S159 CarbonylContact O-C 3.59Å; C156-S159 WeakPolarHBondContact O-CA 2.9Å; C156-S159 WeakPolarHBondContact O-CB 3.15Å; C156-S159 PolarHBondContact O-N 3.21Å; C156-S159 VanDerWaalsContact O-N 3.08Å; C156-Y160 HydrophobicContact CB-CD2 4.37Å; C156-Y160 HydrophobicContact CB-CE2 4.23Å; C156-Y160 WeakPolarHBondContact O-CD2 3.24Å; C156-Y160 PolarHBondContact O-N 2.79Å |
| 157 | I | 80.4 | Confident | 79.6 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | -175.6 | -66.8 | 167.3 | 0 | 0 | 0 | 110 | W153 L154 S159 Y160 C161 | W153-I157 WeakPolarHBondContact O-CG1 3.49Å; W153-I157 PolarHBondContact O-N 3.3Å; L154-I157 PolarHBondContact O-N 3Å; I157-S159 VanDerWaalsContact C-N 3.27Å; I157-S159 PolarHBondContact O-N 2.71Å; I157-Y160 WeakPolarHBondContact O-CB 3.38Å; I157-Y160 PolarHBondContact O-N 2.88Å; I157-C161 PolarHBondContact O-N 3.49Å; I157-C161 PolarHBondContact O-SG 3.41Å |
| 158 | V | 80.6 | Confident | 79.5 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L154 C156 C161 L162 | L154-V158 WeakPolarHBondContact O-CG2 3.47Å; L154-V158 PolarHBondContact O-N 2.87Å; C156-V158 VanDerWaalsContact C-N 3.35Å; C156-V158 PolarHBondContact O-N 2.86Å; V158-C161 WeakPolarHBondContact O-CB 3.46Å; V158-C161 PolarHBondContact O-N 3.06Å; V158-L162 HydrophobicContact CG1-CD1 4.05Å; V158-L162 HydrophobicContact CG1-CG 4.43Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.48Å |
| 159 | S | 81.3 | Confident | 79.4 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 178.9 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | I155 C156 I157 L162 Y163 | I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.32Å; I155-S159 PolarHBondContact O-N 2.95Å; I155-S159 PolarHBondContact O-OG 2.91Å; C156-S159 CarbonylContact O-C 3.59Å; C156-S159 WeakPolarHBondContact O-CA 2.9Å; C156-S159 WeakPolarHBondContact O-CB 3.15Å; C156-S159 PolarHBondContact O-N 3.21Å; C156-S159 VanDerWaalsContact O-N 3.08Å; I157-S159 VanDerWaalsContact C-N 3.27Å; I157-S159 PolarHBondContact O-N 2.71Å; S159-L162 PolarHBondContact O-N 3.48Å; S159-Y163 WeakPolarHBondContact O-CB 3.31Å; S159-Y163 PolarHBondContact O-N 3.45Å |
| 160 | Y | 79.2 | Confident | 79.1 | Confident | 127 Ų | 127 | 79.3 Ų | 79.3 | 50% | 0.498 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 171.7 | -80.5 | -67.6 | 0 | 0 | 0 | 111.3 | V128 C156 I157 Y163 A164 | V128-Y160 HydrophobicContact CG1-CD1 3.42Å; V128-Y160 VanDerWaalsContact CG1-CD1 3.42Å; V128-Y160 HydrophobicContact CG1-CD2 3.58Å; V128-Y160 HydrophobicContact CG1-CE1 3.16Å; V128-Y160 HydrophobicContact CG1-CE2 3.32Å; V128-Y160 HydrophobicContact CG1-CG 3.61Å; C156-Y160 HydrophobicContact CB-CD2 4.37Å; C156-Y160 HydrophobicContact CB-CE2 4.23Å; C156-Y160 WeakPolarHBondContact O-CD2 3.24Å; C156-Y160 PolarHBondContact O-N 2.79Å; I157-Y160 WeakPolarHBondContact O-CB 3.38Å; I157-Y160 PolarHBondContact O-N 2.88Å; Y160-Y163 PolarHBondContact O-N 2.98Å; Y160-A164 WeakPolarHBondContact O-CB 3.28Å; Y160-A164 PolarHBondContact O-N 3.25Å |
| 161 | C | 81.6 | Confident | 78.8 | Confident | 80 Ų | 80 | 79.3 Ų | 79.3 | 54% | 0.541 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 177.3 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | I157 V158 Y163 A164 W165 | I157-C161 PolarHBondContact O-N 3.49Å; I157-C161 PolarHBondContact O-SG 3.41Å; V158-C161 WeakPolarHBondContact O-CB 3.46Å; V158-C161 PolarHBondContact O-N 3.06Å; C161-Y163 VanDerWaalsContact C-N 3.33Å; C161-Y163 PolarHBondContact O-N 2.87Å; C161-A164 PolarHBondContact O-N 2.72Å; C161-W165 VanDerWaalsContact O-CB 3.3Å; C161-W165 WeakPolarHBondContact O-CB 3.29Å; C161-W165 PolarHBondContact O-N 3.46Å |
| 162 | L | 79.5 | Confident | 78.4 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 57% | 0.571 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 177 | -72.9 | 173.4 | 0 | 0 | 0 | 112.1 | V158 S159 W165 Y166 | V158-L162 HydrophobicContact CG1-CD1 4.05Å; V158-L162 HydrophobicContact CG1-CG 4.43Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.48Å; S159-L162 PolarHBondContact O-N 3.48Å; L162-W165 WeakPolarHBondContact O-CB 3.3Å; L162-W165 PolarHBondContact O-N 3.37Å; L162-Y166 WeakPolarHBondContact O-CB 3.23Å; L162-Y166 PolarHBondContact O-N 2.94Å |
| 163 | Y | 78 | Confident | 78 | Confident | 61 Ų | 61 | 85 Ų | 85 | 24% | 0.239 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.2 | -42.5 | 177.3 | -176.8 | -112.1 | 0 | 0 | 0 | 112.4 | L121 A124 S159 Y160 C161 W165 Y166 L167 | L121-Y163 HydrophobicContact CD1-CE1 4.49Å; L121-Y163 WeakPolarHBondContact CD1-OH 3.42Å; A124-Y163 HydrophobicContact CB-CD2 3.48Å; A124-Y163 VanDerWaalsContact CB-CD2 3.48Å; A124-Y163 HydrophobicContact CB-CE2 3.65Å; A124-Y163 HydrophobicContact CB-CG 4.03Å; S159-Y163 WeakPolarHBondContact O-CB 3.31Å; S159-Y163 PolarHBondContact O-N 3.45Å; Y160-Y163 PolarHBondContact O-N 2.98Å; C161-Y163 VanDerWaalsContact C-N 3.33Å; C161-Y163 PolarHBondContact O-N 2.87Å; Y163-W165 VanDerWaalsContact C-N 3.31Å; Y163-W165 PolarHBondContact O-N 2.83Å; Y163-Y166 HydrophobicContact CD2-CD1 4.17Å; Y163-Y166 HydrophobicContact CE2-CD1 4.11Å; Y163-Y166 HydrophobicContact CE2-CE1 4.47Å; Y163-Y166 PolarHBondContact O-N 3.45Å; Y163-L167 HydrophobicContact CD1-CD1 3.96Å; Y163-L167 HydrophobicContact CD1-CG 4.45Å; Y163-L167 HydrophobicContact CE1-CD1 3.41Å; Y163-L167 VanDerWaalsContact CE1-CD1 3.41Å; Y163-L167 HydrophobicContact CE1-CG 4Å; Y163-L167 HydrophobicContact CE2-CD2 4.48Å; Y163-L167 HydrophobicContact CE2-CG 4.27Å; Y163-L167 WeakPolarHBondContact O-CG 3.37Å; Y163-L167 PolarHBondContact O-N 3.12Å |
| 164 | A | 78.6 | Confident | 77 | Confident | 57 Ų | 57 | 84.1 Ų | 84.1 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y160 C161 L167 F168 | Y160-A164 WeakPolarHBondContact O-CB 3.28Å; Y160-A164 PolarHBondContact O-N 3.25Å; C161-A164 PolarHBondContact O-N 2.72Å; A164-L167 PolarHBondContact O-N 3.31Å; A164-F168 WeakPolarHBondContact O-CB 3.3Å; A164-F168 PolarHBondContact O-N 3.09Å |
| 165 | W | 79.7 | Confident | 76.3 | Confident | 157 Ų | 157 | 84.6 Ų | 84.6 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.6 | -49.5 | 173.7 | -171.6 | -102.5 | 0 | 0 | 0 | 111.4 | C161 L162 Y163 L167 F168 W169 | C161-W165 VanDerWaalsContact O-CB 3.3Å; C161-W165 WeakPolarHBondContact O-CB 3.29Å; C161-W165 PolarHBondContact O-N 3.46Å; L162-W165 WeakPolarHBondContact O-CB 3.3Å; L162-W165 PolarHBondContact O-N 3.37Å; Y163-W165 VanDerWaalsContact C-N 3.31Å; Y163-W165 PolarHBondContact O-N 2.83Å; W165-L167 PolarHBondContact O-N 3.24Å; W165-F168 WeakPolarHBondContact O-CB 3.27Å; W165-F168 PolarHBondContact O-N 2.99Å; W165-F168 VanDerWaalsContact O-N 3.13Å; W165-W169 AromaticContact CD1-CD1 3.63Å; W165-W169 AromaticContact CD1-NE1 3.83Å; W165-W169 AromaticContact CD2-CD1 3.92Å; W165-W169 AromaticContact CD2-NE1 3.71Å; W165-W169 AromaticContact CE2-CD1 3.58Å; W165-W169 AromaticContact CE2-NE1 2.99Å; W165-W169 AromaticContact CG-CD1 3.97Å; W165-W169 AromaticContact CH2-NE1 3.94Å; W165-W169 AromaticContact CZ2-CE2 3.94Å; W165-W169 HydrophobicContact CZ2-CZ2 4.14Å; W165-W169 AromaticContact CZ2-NE1 3.13Å; W165-W169 AromaticContact NE1-CD1 3.37Å; W165-W169 AromaticContact NE1-NE1 3.09Å; W165-W169 VanDerWaalsContact O-CD1 3.24Å; W165-W169 PolarHBondContact O-N 3.05Å |
| 166 | Y | 79.2 | Confident | 75.8 | Confident | 98 Ų | 98 | 89.1 Ų | 89.1 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 176.1 | 166 | -105.1 | 0 | 0 | 0 | 112.8 | L162 Y163 F168 W169 K170 | L162-Y166 WeakPolarHBondContact O-CB 3.23Å; L162-Y166 PolarHBondContact O-N 2.94Å; Y163-Y166 HydrophobicContact CD2-CD1 4.17Å; Y163-Y166 HydrophobicContact CE2-CD1 4.11Å; Y163-Y166 HydrophobicContact CE2-CE1 4.47Å; Y163-Y166 PolarHBondContact O-N 3.45Å; Y166-F168 VanDerWaalsContact C-N 3.29Å; Y166-F168 PolarHBondContact O-N 3.39Å; Y166-W169 PolarHBondContact O-N 3.13Å; Y166-K170 HydrophobicContact CE1-CD 4.28Å; Y166-K170 WeakPolarHBondContact O-CB 3.16Å; Y166-K170 PolarHBondContact O-N 2.98Å |
| 167 | L | 74.7 | Confident | 75.3 | Confident | 49 Ų | 49 | 91.5 Ų | 91.5 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.6 | -75.6 | 177.9 | 0 | 0 | 0 | 112 | Y163 A164 W165 K170 N171 | Y163-L167 HydrophobicContact CD1-CD1 3.96Å; Y163-L167 HydrophobicContact CD1-CG 4.45Å; Y163-L167 HydrophobicContact CE1-CD1 3.41Å; Y163-L167 VanDerWaalsContact CE1-CD1 3.41Å; Y163-L167 HydrophobicContact CE1-CG 4Å; Y163-L167 HydrophobicContact CE2-CD2 4.48Å; Y163-L167 HydrophobicContact CE2-CG 4.27Å; Y163-L167 WeakPolarHBondContact O-CG 3.37Å; Y163-L167 PolarHBondContact O-N 3.12Å; A164-L167 PolarHBondContact O-N 3.31Å; W165-L167 PolarHBondContact O-N 3.24Å; L167-K170 PolarHBondContact O-N 3.31Å; L167-N171 PolarHBondContact O-N 3.45Å |
| 168 | F | 74.4 | Confident | 74.6 | Confident | 57 Ų | 57 | 90.1 Ų | 90.1 | 25% | 0.25 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 176.6 | -174 | -92.8 | 0 | 0 | 0 | 111.5 | A164 W165 Y166 K170 N171 L174 L178 | A164-F168 WeakPolarHBondContact O-CB 3.3Å; A164-F168 PolarHBondContact O-N 3.09Å; W165-F168 WeakPolarHBondContact O-CB 3.27Å; W165-F168 PolarHBondContact O-N 2.99Å; W165-F168 VanDerWaalsContact O-N 3.13Å; Y166-F168 VanDerWaalsContact C-N 3.29Å; Y166-F168 PolarHBondContact O-N 3.39Å; F168-K170 VanDerWaalsContact C-N 3.35Å; F168-K170 PolarHBondContact O-N 3.26Å; F168-N171 PolarHBondContact O-N 3.21Å; F168-L174 HydrophobicContact CD2-CB 4.16Å; F168-L174 HydrophobicContact CD2-CD1 4.44Å; F168-L174 HydrophobicContact CE2-CB 3.98Å; F168-L178 HydrophobicContact CE1-CD2 4.24Å; F168-L178 HydrophobicContact CE2-CB 4.48Å; F168-L178 HydrophobicContact CE2-CD1 4.05Å; F168-L178 HydrophobicContact CZ-CB 3.72Å; F168-L178 HydrophobicContact CZ-CD1 3.6Å; F168-L178 HydrophobicContact CZ-CD2 3.89Å; F168-L178 HydrophobicContact CZ-CG 3.93Å |
| 169 | W | 75.2 | Confident | 73.9 | Confident | 140 Ų | 140 | 92.5 Ų | 92.5 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.9 | -32.2 | 178.6 | -82.4 | 87.4 | 0 | 0 | 0 | 113.9 | W165 Y166 | W165-W169 AromaticContact CD1-CD1 3.63Å; W165-W169 AromaticContact CD1-NE1 3.83Å; W165-W169 AromaticContact CD2-CD1 3.92Å; W165-W169 AromaticContact CD2-NE1 3.71Å; W165-W169 AromaticContact CE2-CD1 3.58Å; W165-W169 AromaticContact CE2-NE1 2.99Å; W165-W169 AromaticContact CG-CD1 3.97Å; W165-W169 AromaticContact CH2-NE1 3.94Å; W165-W169 AromaticContact CZ2-CE2 3.94Å; W165-W169 HydrophobicContact CZ2-CZ2 4.14Å; W165-W169 AromaticContact CZ2-NE1 3.13Å; W165-W169 AromaticContact NE1-CD1 3.37Å; W165-W169 AromaticContact NE1-NE1 3.09Å; W165-W169 VanDerWaalsContact O-CD1 3.24Å; W165-W169 PolarHBondContact O-N 3.05Å; Y166-W169 PolarHBondContact O-N 3.13Å |
| 170 | K | 72 | Confident | 73.4 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.9 | -35 | 179.3 | -175.5 | 177.3 | 177.1 | 179.8 | 0 | 112.7 | Y166 L167 F168 A172 | Y166-K170 HydrophobicContact CE1-CD 4.28Å; Y166-K170 WeakPolarHBondContact O-CB 3.16Å; Y166-K170 PolarHBondContact O-N 2.98Å; L167-K170 PolarHBondContact O-N 3.31Å; F168-K170 VanDerWaalsContact C-N 3.35Å; F168-K170 PolarHBondContact O-N 3.26Å; K170-A172 PolarHBondContact O-N 2.93Å |
| 171 | N | 72.6 | Confident | 72.8 | Confident | 59 Ų | 59 | 91.4 Ų | 91.4 | 32% | 0.316 | 45% | 0.445 | S | S | . | . | trans | -86 | 99.6 | -177.9 | -87.8 | -29.6 | 0 | 0 | 0 | 111.4 | L167 F168 F173 L174 R175 | L167-N171 PolarHBondContact O-N 3.45Å; F168-N171 PolarHBondContact O-N 3.21Å; N171-F173 PolarHBondContact O-N 3.09Å; N171-F173 VanDerWaalsContact O-N 3.1Å; N171-L174 HydrophobicContact CB-CB 4.13Å; N171-L174 HydrophobicContact CB-CD1 3.84Å; N171-L174 HydrophobicContact CB-CG 4.16Å; N171-L174 PolarHBondContact O-N 2.8Å; N171-L174 VanDerWaalsContact O-N 3.08Å; N171-R175 PolarHBondContact O-N 3.33Å; N171-R175 VanDerWaalsContact O-N 3.08Å | ||
| 172 | A | 70.4 | Confident | 72 | Confident | 43 Ų | 43 | 93.5 Ų | 93.5 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.4 | -31.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K170 R176 | K170-A172 PolarHBondContact O-N 2.93Å; A172-R176 WeakPolarHBondContact O-CB 3.18Å; A172-R176 VanDerWaalsContact O-CG 3.29Å; A172-R176 WeakPolarHBondContact O-CG 3.42Å; A172-R176 PolarHBondContact O-N 3.03Å |
| 173 | F | 73.7 | Confident | 71 | Confident | 164 Ų | 164 | 92.5 Ų | 92.5 | 72% | 0.719 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.4 | -50 | 175.4 | -179.3 | -97 | 0 | 0 | 0 | 112.3 | N171 R175 R176 S177 | N171-F173 PolarHBondContact O-N 3.09Å; N171-F173 VanDerWaalsContact O-N 3.1Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 2.89Å; F173-R176 PolarHBondContact O-N 3.14Å; F173-S177 WeakPolarHBondContact O-CB 3.44Å; F173-S177 PolarHBondContact O-N 3.46Å |
| 174 | L | 60.9 | Low | 70 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 39% | 0.387 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 177.2 | -76 | 169.8 | 0 | 0 | 0 | 111 | F168 N171 R176 S177 L178 | F168-L174 HydrophobicContact CD2-CB 4.16Å; F168-L174 HydrophobicContact CD2-CD1 4.44Å; F168-L174 HydrophobicContact CE2-CB 3.98Å; N171-L174 HydrophobicContact CB-CB 4.13Å; N171-L174 HydrophobicContact CB-CD1 3.84Å; N171-L174 HydrophobicContact CB-CG 4.16Å; N171-L174 PolarHBondContact O-N 2.8Å; N171-L174 VanDerWaalsContact O-N 3.08Å; L174-R176 PolarHBondContact O-N 3.38Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-L178 WeakPolarHBondContact O-CB 3.38Å; L174-L178 PolarHBondContact O-N 3.13Å |
| 175 | R | 66.2 | Low | 68.9 | Low | 117 Ų | 117 | 98 Ų | 98 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.1 | -170.9 | 175.6 | 69.4 | -168.6 | 4.2 | 112.6 | N171 F173 M179 | N171-R175 PolarHBondContact O-N 3.33Å; N171-R175 VanDerWaalsContact O-N 3.08Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 2.89Å; R175-M179 WeakPolarHBondContact O-CB 3.43Å; R175-M179 WeakPolarHBondContact O-CG 3.49Å; R175-M179 PolarHBondContact O-N 3.06Å |
| 176 | R | 70.7 | Confident | 67.6 | Low | 188 Ų | 188 | 97.9 Ų | 97.9 | 71% | 0.709 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 177 | -75.8 | -179.2 | -164 | -166.9 | 4.2 | 111.9 | A172 F173 L174 M179 S180 | A172-R176 WeakPolarHBondContact O-CB 3.18Å; A172-R176 VanDerWaalsContact O-CG 3.29Å; A172-R176 WeakPolarHBondContact O-CG 3.42Å; A172-R176 PolarHBondContact O-N 3.03Å; F173-R176 PolarHBondContact O-N 3.14Å; L174-R176 PolarHBondContact O-N 3.38Å; R176-M179 PolarHBondContact O-N 3.14Å; R176-S180 WeakPolarHBondContact O-CB 3.29Å; R176-S180 PolarHBondContact O-N 3.39Å; R176-S180 PolarHBondContact O-OG 3.49Å |
| 177 | S | 71.8 | Confident | 66.3 | Low | 53 Ų | 53 | 101.4 Ų | 101.4 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | F173 L174 M179 S180 T181 | F173-S177 WeakPolarHBondContact O-CB 3.44Å; F173-S177 PolarHBondContact O-N 3.46Å; L174-S177 PolarHBondContact O-N 2.91Å; S177-M179 PolarHBondContact O-N 3.33Å; S177-S180 PolarHBondContact O-N 3.42Å; S177-S180 VanDerWaalsContact O-N 3.12Å; S177-S180 PolarHBondContact O-OG 2.64Å; S177-T181 PolarHBondContact O-N 3.21Å; S177-T181 PolarHBondContact O-OG1 3.02Å |
| 178 | L | 65.6 | Low | 65.3 | Low | 70 Ų | 70 | 103.5 Ų | 103.5 | 37% | 0.366 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.3 | -167.4 | 117.6 | 0 | 0 | 0 | 112.4 | F168 L174 S180 T181 F182 | F168-L178 HydrophobicContact CE1-CD2 4.24Å; F168-L178 HydrophobicContact CE2-CB 4.48Å; F168-L178 HydrophobicContact CE2-CD1 4.05Å; F168-L178 HydrophobicContact CZ-CB 3.72Å; F168-L178 HydrophobicContact CZ-CD1 3.6Å; F168-L178 HydrophobicContact CZ-CD2 3.89Å; F168-L178 HydrophobicContact CZ-CG 3.93Å; L174-L178 WeakPolarHBondContact O-CB 3.38Å; L174-L178 PolarHBondContact O-N 3.13Å; L178-S180 VanDerWaalsContact C-N 3.25Å; L178-S180 PolarHBondContact O-N 3.01Å; L178-T181 PolarHBondContact O-N 3.1Å; L178-T181 VanDerWaalsContact O-N 3.12Å; L178-F182 HydrophobicContact CD1-CE2 3.99Å; L178-F182 HydrophobicContact CD2-CD2 3.52Å; L178-F182 HydrophobicContact CD2-CE2 3.41Å; L178-F182 VanDerWaalsContact CD2-CE2 3.41Å; L178-F182 HydrophobicContact CG-CD2 3.62Å; L178-F182 HydrophobicContact CG-CE2 3.55Å; L178-F182 WeakPolarHBondContact O-CD2 3.47Å; L178-F182 PolarHBondContact O-N 3.28Å |
| 179 | M | 67.4 | Low | 64.2 | Low | 132 Ų | 132 | 106.2 Ų | 106.2 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.8 | -37.5 | 173 | -83.2 | -109.9 | 157.8 | 0 | 0 | 112.2 | R175 R176 S177 C183 | R175-M179 WeakPolarHBondContact O-CB 3.43Å; R175-M179 WeakPolarHBondContact O-CG 3.49Å; R175-M179 PolarHBondContact O-N 3.06Å; R176-M179 PolarHBondContact O-N 3.14Å; S177-M179 PolarHBondContact O-N 3.33Å; M179-C183 VanDerWaalsContact O-CB 3.31Å; M179-C183 WeakPolarHBondContact O-CB 3.03Å; M179-C183 PolarHBondContact O-N 2.84Å; M179-C183 PolarHBondContact O-SG 3.35Å |
| 180 | S | 70.7 | Confident | 62.9 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 174.2 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | R176 S177 L178 C183 Q184 | R176-S180 WeakPolarHBondContact O-CB 3.29Å; R176-S180 PolarHBondContact O-N 3.39Å; R176-S180 PolarHBondContact O-OG 3.49Å; S177-S180 PolarHBondContact O-N 3.42Å; S177-S180 VanDerWaalsContact O-N 3.12Å; S177-S180 PolarHBondContact O-OG 2.64Å; L178-S180 VanDerWaalsContact C-N 3.25Å; L178-S180 PolarHBondContact O-N 3.01Å; S180-C183 PolarHBondContact O-N 2.79Å; S180-Q184 WeakPolarHBondContact O-CB 2.88Å; S180-Q184 WeakPolarHBondContact O-CG 3.44Å; S180-Q184 PolarHBondContact O-N 3.03Å |
| 181 | T | 65.4 | Low | 61.8 | Low | 61 Ų | 61 | 105.1 Ų | 105.1 | 37% | 0.374 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.2 | -43.6 | 177.4 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | S177 L178 Q184 I185 | S177-T181 PolarHBondContact O-N 3.21Å; S177-T181 PolarHBondContact O-OG1 3.02Å; L178-T181 PolarHBondContact O-N 3.1Å; L178-T181 VanDerWaalsContact O-N 3.12Å; T181-Q184 PolarHBondContact O-N 3.39Å; T181-I185 HydrophobicContact CG2-CD1 3.93Å; T181-I185 HydrophobicContact CG2-CG1 4.41Å; T181-I185 WeakPolarHBondContact O-CB 3.18Å; T181-I185 VanDerWaalsContact O-CG1 3.23Å; T181-I185 WeakPolarHBondContact O-CG1 3.28Å; T181-I185 PolarHBondContact O-N 2.81Å |
| 182 | F | 64.5 | Low | 60.5 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 54% | 0.544 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -41.6 | 173.9 | -85.5 | -75.3 | 0 | 0 | 0 | 111.8 | L178 Q184 I185 Q186 | L178-F182 HydrophobicContact CD1-CE2 3.99Å; L178-F182 HydrophobicContact CD2-CD2 3.52Å; L178-F182 HydrophobicContact CD2-CE2 3.41Å; L178-F182 VanDerWaalsContact CD2-CE2 3.41Å; L178-F182 HydrophobicContact CG-CD2 3.62Å; L178-F182 HydrophobicContact CG-CE2 3.55Å; L178-F182 WeakPolarHBondContact O-CD2 3.47Å; L178-F182 PolarHBondContact O-N 3.28Å; F182-Q184 VanDerWaalsContact C-N 3.31Å; F182-Q184 PolarHBondContact O-N 3.44Å; F182-I185 PolarHBondContact O-N 3.47Å; F182-Q186 WeakPolarHBondContact O-CB 3.5Å; F182-Q186 PolarHBondContact O-N 3.32Å |
| 183 | C | 58.9 | Low | 59.4 | Low | 87 Ų | 87 | 113.9 Ų | 113.9 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63 | -35.4 | 172.5 | -82.3 | 0 | 0 | 0 | 0 | 112.8 | M179 S180 K187 | M179-C183 VanDerWaalsContact O-CB 3.31Å; M179-C183 WeakPolarHBondContact O-CB 3.03Å; M179-C183 PolarHBondContact O-N 2.84Å; M179-C183 PolarHBondContact O-SG 3.35Å; S180-C183 PolarHBondContact O-N 2.79Å; C183-K187 PolarHBondContact O-N 3.36Å |
| 184 | Q | 56.7 | Low | 57.9 | Low | 142 Ų | 142 | 111.6 Ų | 111.6 | 66% | 0.664 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73 | -41.4 | 175.6 | -80.5 | -165.4 | -24.5 | 0 | 0 | 112.6 | S180 T181 F182 Q186 K187 S188 | S180-Q184 WeakPolarHBondContact O-CB 2.88Å; S180-Q184 WeakPolarHBondContact O-CG 3.44Å; S180-Q184 PolarHBondContact O-N 3.03Å; T181-Q184 PolarHBondContact O-N 3.39Å; F182-Q184 VanDerWaalsContact C-N 3.31Å; F182-Q184 PolarHBondContact O-N 3.44Å; Q184-Q186 VanDerWaalsContact C-N 3.28Å; Q184-Q186 PolarHBondContact O-N 2.66Å; Q184-K187 WeakPolarHBondContact O-CB 3.48Å; Q184-K187 PolarHBondContact O-N 3.12Å; Q184-S188 PolarHBondContact O-N 3.28Å |
| 185 | I | 56.5 | Low | 57 | Low | 92 Ų | 92 | 118.2 Ų | 118.2 | 47% | 0.472 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -59.9 | -43.9 | 176 | -69.6 | 164.9 | 0 | 0 | 0 | 109.6 | T181 F182 K187 S188 T189 | T181-I185 HydrophobicContact CG2-CD1 3.93Å; T181-I185 HydrophobicContact CG2-CG1 4.41Å; T181-I185 WeakPolarHBondContact O-CB 3.18Å; T181-I185 VanDerWaalsContact O-CG1 3.23Å; T181-I185 WeakPolarHBondContact O-CG1 3.28Å; T181-I185 PolarHBondContact O-N 2.81Å; F182-I185 PolarHBondContact O-N 3.47Å; I185-K187 PolarHBondContact O-N 3.08Å; I185-S188 PolarHBondContact O-N 3.49Å; I185-S188 VanDerWaalsContact O-N 3.11Å; I185-T189 PolarHBondContact O-N 2.92Å; I185-T189 PolarHBondContact O-OG1 3.44Å |
| 186 | Q | 52.7 | Low | 56.5 | Low | 155 Ų | 155 | 118.3 Ų | 118.3 | 72% | 0.724 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.2 | -23.4 | 177.7 | -164.6 | 171.2 | -26.3 | 0 | 0 | 113.1 | F182 Q184 T189 | F182-Q186 WeakPolarHBondContact O-CB 3.5Å; F182-Q186 PolarHBondContact O-N 3.32Å; Q184-Q186 VanDerWaalsContact C-N 3.28Å; Q184-Q186 PolarHBondContact O-N 2.66Å; Q186-T189 PolarHBondContact O-OG1 3.11Å |
| 187 | K | 51.8 | Low | 55.8 | Low | 172 Ų | 172 | 114.6 Ų | 114.6 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.9 | -29.6 | 173.6 | -139.8 | 176.2 | -172.4 | -178 | 0 | 112.6 | C183 Q184 I185 | C183-K187 PolarHBondContact O-N 3.36Å; Q184-K187 WeakPolarHBondContact O-CB 3.48Å; Q184-K187 PolarHBondContact O-N 3.12Å; I185-K187 PolarHBondContact O-N 3.08Å |
| 188 | S | 53 | Low | 54.9 | Low | 93 Ų | 93 | 118 Ų | 118 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.7 | -31.8 | -178.4 | -173.1 | 0 | 0 | 0 | 0 | 113 | Q184 I185 G190 | Q184-S188 PolarHBondContact O-N 3.28Å; I185-S188 PolarHBondContact O-N 3.49Å; I185-S188 VanDerWaalsContact O-N 3.11Å; S188-G190 PolarHBondContact O-N 3.26Å; S188-G190 VanDerWaalsContact O-N 3.12Å |
| 189 | T | 52 | Low | 54.2 | Low | 114 Ų | 114 | 120.8 Ų | 120.8 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -0.8 | 177.9 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | I185 Q186 | I185-T189 PolarHBondContact O-N 2.92Å; I185-T189 PolarHBondContact O-OG1 3.44Å; Q186-T189 PolarHBondContact O-OG1 3.11Å |
| 190 | G | 47.5 | Very low | 53.4 | Low | 64 Ų | 64 | 120.1 Ų | 120.1 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -0.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S188 | S188-G190 PolarHBondContact O-N 3.26Å; S188-G190 VanDerWaalsContact O-N 3.12Å |
| 191 | I | 49 | Very low | 52.3 | Low | 141 Ų | 141 | 124 Ų | 124 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | trans | -118.6 | 81 | -177.7 | -49.6 | 176 | 0 | 0 | 0 | 109.2 | P193 | I191-P193 VanDerWaalsContact O-CD 3.31Å; I191-P193 WeakPolarHBondContact O-CD 3.11Å | ||
| 192 | M | 44.8 | Very low | 51.3 | Low | 169 Ų | 169 | 128.5 Ų | 128.5 | 83% | 0.833 | 72% | 0.719 | S | S | * | * | trans | -80.2 | 113.5 | 151.9 | -84.9 | -170.7 | 175 | 0 | 0 | 107.2 | T194 | M192-T194 VanDerWaalsContact C-N 3.3Å; M192-T194 PolarHBondContact O-N 2.96Å | ||
| 193 | P | 48.1 | Very low | 50.3 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | -71.3 | 97.7 | 159.7 | 28.5 | -27 | 0 | 0 | 0 | 106.9 | I191 | I191-P193 VanDerWaalsContact O-CD 3.31Å; I191-P193 WeakPolarHBondContact O-CD 3.11Å | ||
| 194 | T | 41 | Very low | 49.6 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | trans | -67.8 | 134.3 | 155.7 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | M192 | M192-T194 VanDerWaalsContact C-N 3.3Å; M192-T194 PolarHBondContact O-N 2.96Å | ||
| 195 | V | 42.3 | Very low | 49 | Very low | 212 Ų | 212 | 131.5 Ų | 131.5 | 100% | 1.285 | 75% | 0.752 | S | S | * | * | trans | 88 | 0 | 170.3 | -163.3 | 0 | 0 | 0 | 0 | 115.5 |
Retrieved 195 of 195 residues in 377.4 ms
(Link to these results)