| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60 | Low | 79.9 | Confident | 172 Ų | 172 | 105.9 Ų | 105.9 | 85% | 0.847 | 54% | 0.541 | S | S | * | . | 0 | 108.7 | 0 | -78.8 | -78.7 | 161.5 | 0 | 0 | 108 | |||||
| 2 | S | 80.1 | Confident | 80.4 | Confident | 69 Ų | 69 | 106.3 Ų | 106.3 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | trans | -57.8 | 140.1 | 177.2 | 165.2 | 0 | 0 | 0 | 0 | 110.6 | A4 Q5 R6 | S2-A4 PolarHBondContact O-N 3.47Å; S2-A4 PolarHBondContact OG-N 2.97Å; S2-Q5 PolarHBondContact O-N 3.35Å; S2-Q5 VanDerWaalsContact O-N 3.15Å; S2-R6 PolarHBondContact O-N 3.49Å | ||
| 3 | L | 78.6 | Confident | 80.4 | Confident | 143 Ų | 143 | 103.8 Ų | 103.8 | 75% | 0.749 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -54.5 | -40.3 | 173.4 | -80.4 | 165.8 | 0 | 0 | 0 | 110.9 | Q5 R6 V7 | L3-Q5 VanDerWaalsContact C-N 3.35Å; L3-Q5 PolarHBondContact O-N 3.19Å; L3-R6 PolarHBondContact O-N 3.46Å; L3-V7 VanDerWaalsContact O-CG2 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.24Å; L3-V7 PolarHBondContact O-N 2.83Å; L3-V7 VanDerWaalsContact O-N 3.1Å |
| 4 | A | 82.6 | Confident | 80.2 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2 R6 V7 L8 | S2-A4 PolarHBondContact O-N 3.47Å; S2-A4 PolarHBondContact OG-N 2.97Å; A4-R6 VanDerWaalsContact C-N 3.33Å; A4-R6 PolarHBondContact O-N 3.05Å; A4-V7 PolarHBondContact O-N 2.94Å; A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 VanDerWaalsContact O-CG 3.28Å; A4-L8 WeakPolarHBondContact O-CG 3.25Å; A4-L8 PolarHBondContact O-N 3.41Å |
| 5 | Q | 81.9 | Confident | 80.3 | Confident | 104 Ų | 104 | 101.9 Ų | 101.9 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | -179.6 | -171.1 | 176.5 | -28.5 | 0 | 0 | 111.9 | S2 L3 L9 | S2-Q5 PolarHBondContact O-N 3.35Å; S2-Q5 VanDerWaalsContact O-N 3.15Å; L3-Q5 VanDerWaalsContact C-N 3.35Å; L3-Q5 PolarHBondContact O-N 3.19Å; Q5-L9 VanDerWaalsContact O-CB 3.23Å; Q5-L9 WeakPolarHBondContact O-CB 3.38Å; Q5-L9 PolarHBondContact O-N 3.33Å |
| 6 | R | 80.9 | Confident | 80.5 | Confident | 124 Ų | 124 | 97.9 Ų | 97.9 | 47% | 0.468 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.2 | -68.2 | 178.7 | 170.8 | -151.2 | -5 | 111.8 | S2 L3 A4 T10 | S2-R6 PolarHBondContact O-N 3.49Å; L3-R6 PolarHBondContact O-N 3.46Å; A4-R6 VanDerWaalsContact C-N 3.33Å; A4-R6 PolarHBondContact O-N 3.05Å; R6-T10 PolarHBondContact O-N 2.93Å; R6-T10 VanDerWaalsContact O-N 3.09Å; R6-T10 PolarHBondContact O-OG1 3.18Å |
| 7 | V | 83.8 | Confident | 80.4 | Confident | 76 Ų | 76 | 94 Ų | 94 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -56.6 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 109 | L3 A4 L9 T10 W11 | L3-V7 VanDerWaalsContact O-CG2 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.24Å; L3-V7 PolarHBondContact O-N 2.83Å; L3-V7 VanDerWaalsContact O-N 3.1Å; A4-V7 PolarHBondContact O-N 2.94Å; V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 2.89Å; V7-T10 WeakPolarHBondContact O-CB 3.35Å; V7-T10 PolarHBondContact O-N 3.44Å; V7-W11 VanDerWaalsContact CG1-CD1 3.42Å; V7-W11 PolarHBondContact O-N 3.45Å |
| 8 | L | 86.1 | Confident | 80.2 | Confident | 108 Ų | 108 | 94.3 Ų | 94.3 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -53.6 | -44 | 179.7 | -71.8 | 170.4 | 0 | 0 | 0 | 112.5 | A4 T10 W11 I12 | A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 VanDerWaalsContact O-CG 3.28Å; A4-L8 WeakPolarHBondContact O-CG 3.25Å; A4-L8 PolarHBondContact O-N 3.41Å; L8-T10 PolarHBondContact O-N 3.39Å; L8-W11 PolarHBondContact O-N 3.08Å; L8-I12 WeakPolarHBondContact O-CB 3.46Å; L8-I12 WeakPolarHBondContact O-CD1 3.17Å; L8-I12 VanDerWaalsContact O-CG1 3.23Å; L8-I12 WeakPolarHBondContact O-CG1 3.46Å; L8-I12 PolarHBondContact O-N 3.13Å |
| 9 | L | 81.8 | Confident | 80.3 | Confident | 84 Ų | 84 | 94.1 Ų | 94.1 | 44% | 0.44 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 177.3 | -162.9 | 94.2 | 0 | 0 | 0 | 111.4 | Q5 V7 W11 I12 F13 F43 | Q5-L9 VanDerWaalsContact O-CB 3.23Å; Q5-L9 WeakPolarHBondContact O-CB 3.38Å; Q5-L9 PolarHBondContact O-N 3.33Å; V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 2.89Å; L9-W11 VanDerWaalsContact C-N 3.35Å; L9-W11 PolarHBondContact O-N 2.89Å; L9-I12 PolarHBondContact O-N 3.49Å; L9-F13 HydrophobicContact CD1-CE2 3.97Å; L9-F13 HydrophobicContact CD2-CD2 4.16Å; L9-F13 HydrophobicContact CD2-CE2 3.78Å; L9-F13 HydrophobicContact CG-CD2 3.79Å; L9-F13 HydrophobicContact CG-CE2 3.55Å; L9-F13 WeakPolarHBondContact O-CD2 3.5Å; L9-F13 PolarHBondContact O-N 3.21Å; L9-F43 HydrophobicContact CD2-CE2 4.27Å |
| 10 | T | 79.6 | Confident | 80.1 | Confident | 48 Ų | 48 | 94.1 Ų | 94.1 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 178.9 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | R6 V7 L8 F13 T14 F43 | R6-T10 PolarHBondContact O-N 2.93Å; R6-T10 VanDerWaalsContact O-N 3.09Å; R6-T10 PolarHBondContact O-OG1 3.18Å; V7-T10 WeakPolarHBondContact O-CB 3.35Å; V7-T10 PolarHBondContact O-N 3.44Å; L8-T10 PolarHBondContact O-N 3.39Å; T10-F13 PolarHBondContact O-N 3.18Å; T10-T14 WeakPolarHBondContact O-CB 3.09Å; T10-T14 PolarHBondContact O-N 3.36Å; T10-T14 PolarHBondContact O-OG1 2.93Å; T10-F43 HydrophobicContact CG2-CE1 3.8Å; T10-F43 HydrophobicContact CG2-CZ 3.7Å; T10-F43 WeakPolarHBondContact OG1-CZ 3.09Å |
| 11 | W | 84.1 | Confident | 79.8 | Confident | 179 Ų | 179 | 91.1 Ų | 91.1 | 68% | 0.678 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 177.9 | -82.3 | 88.2 | 0 | 0 | 0 | 111.4 | V7 L8 L9 F13 T14 L15 | V7-W11 VanDerWaalsContact CG1-CD1 3.42Å; V7-W11 PolarHBondContact O-N 3.45Å; L8-W11 PolarHBondContact O-N 3.08Å; L9-W11 VanDerWaalsContact C-N 3.35Å; L9-W11 PolarHBondContact O-N 2.89Å; W11-F13 PolarHBondContact O-N 3.13Å; W11-T14 PolarHBondContact O-N 3.07Å; W11-L15 WeakPolarHBondContact O-CB 3.39Å; W11-L15 PolarHBondContact O-N 3.12Å |
| 12 | I | 85.8 | Confident | 80.5 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 57% | 0.569 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61 | -47.1 | 178.3 | -70.3 | 164.9 | 0 | 0 | 0 | 111.2 | L8 L9 T14 L15 A16 | L8-I12 WeakPolarHBondContact O-CB 3.46Å; L8-I12 WeakPolarHBondContact O-CD1 3.17Å; L8-I12 VanDerWaalsContact O-CG1 3.23Å; L8-I12 WeakPolarHBondContact O-CG1 3.46Å; L8-I12 PolarHBondContact O-N 3.13Å; L9-I12 PolarHBondContact O-N 3.49Å; I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.09Å; I12-L15 PolarHBondContact O-N 2.95Å; I12-A16 WeakPolarHBondContact O-CB 3.47Å; I12-A16 PolarHBondContact O-N 3.43Å |
| 13 | F | 80.6 | Confident | 80.3 | Confident | 73 Ų | 73 | 87.5 Ų | 87.5 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 177.6 | -81.7 | -65.6 | 0 | 0 | 0 | 112.4 | L9 T10 W11 F17 P39 F43 | L9-F13 HydrophobicContact CD1-CE2 3.97Å; L9-F13 HydrophobicContact CD2-CD2 4.16Å; L9-F13 HydrophobicContact CD2-CE2 3.78Å; L9-F13 HydrophobicContact CG-CD2 3.79Å; L9-F13 HydrophobicContact CG-CE2 3.55Å; L9-F13 WeakPolarHBondContact O-CD2 3.5Å; L9-F13 PolarHBondContact O-N 3.21Å; T10-F13 PolarHBondContact O-N 3.18Å; W11-F13 PolarHBondContact O-N 3.13Å; F13-F17 WeakPolarHBondContact O-CB 3.45Å; F13-F17 PolarHBondContact O-N 3.48Å; F13-P39 HydrophobicContact CD1-CB 3.88Å; F13-P39 HydrophobicContact CE1-CB 4.39Å; F13-F43 HydrophobicContact CD2-CD2 4.16Å |
| 14 | T | 76.9 | Confident | 80 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | T10 W11 I12 F17 L18 | T10-T14 WeakPolarHBondContact O-CB 3.09Å; T10-T14 PolarHBondContact O-N 3.36Å; T10-T14 PolarHBondContact O-OG1 2.93Å; W11-T14 PolarHBondContact O-N 3.07Å; I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.09Å; T14-F17 PolarHBondContact O-N 2.98Å; T14-L18 PolarHBondContact O-N 3.45Å |
| 15 | L | 81.8 | Confident | 79.3 | Confident | 101 Ų | 101 | 85.1 Ų | 85.1 | 53% | 0.529 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.5 | -43 | -179.4 | -141.9 | 155.3 | 0 | 0 | 0 | 111 | W11 I12 F17 L18 I19 | W11-L15 WeakPolarHBondContact O-CB 3.39Å; W11-L15 PolarHBondContact O-N 3.12Å; I12-L15 PolarHBondContact O-N 2.95Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.97Å; L15-L18 PolarHBondContact O-N 3.28Å; L15-I19 HydrophobicContact CD2-CD1 3.53Å; L15-I19 HydrophobicContact CD2-CG1 4.12Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.41Å; L15-I19 PolarHBondContact O-N 2.94Å |
| 16 | A | 83 | Confident | 78.9 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I12 I19 M20 | I12-A16 WeakPolarHBondContact O-CB 3.47Å; I12-A16 PolarHBondContact O-N 3.43Å; A16-I19 PolarHBondContact O-N 3.48Å; A16-M20 WeakPolarHBondContact O-CG 3.24Å; A16-M20 PolarHBondContact O-N 2.94Å |
| 17 | F | 80.1 | Confident | 78.3 | Confident | 31 Ų | 31 | 81 Ų | 81 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 173.7 | 167.6 | -104.7 | 0 | 0 | 0 | 112 | F13 T14 L15 I19 M20 L21 F37 V40 | F13-F17 WeakPolarHBondContact O-CB 3.45Å; F13-F17 PolarHBondContact O-N 3.48Å; T14-F17 PolarHBondContact O-N 2.98Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.97Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.43Å; F17-M20 PolarHBondContact O-N 3.32Å; F17-L21 HydrophobicContact CE1-CD2 4.43Å; F17-L21 HydrophobicContact CE2-CD1 4.33Å; F17-L21 HydrophobicContact CZ-CD1 3.99Å; F17-L21 HydrophobicContact CZ-CD2 4.37Å; F17-L21 VanDerWaalsContact O-CB 3.31Å; F17-L21 WeakPolarHBondContact O-CB 3.44Å; F17-L21 PolarHBondContact O-N 2.96Å; F17-F37 HydrophobicContact CD2-CD1 4.21Å; F17-F37 HydrophobicContact CD2-CG 4.34Å; F17-F37 HydrophobicContact CE1-CE1 4.3Å; F17-F37 HydrophobicContact CE2-CB 4.39Å; F17-F37 AromaticContact CE2-CD1 3.3Å; F17-F37 HydrophobicContact CE2-CD1 3.3Å; F17-F37 AromaticContact CE2-CD2 3.69Å; F17-F37 HydrophobicContact CE2-CD2 3.69Å; F17-F37 AromaticContact CE2-CE1 3.32Å; F17-F37 HydrophobicContact CE2-CE1 3.32Å; F17-F37 AromaticContact CE2-CE2 3.7Å; F17-F37 HydrophobicContact CE2-CE2 3.7Å; F17-F37 AromaticContact CE2-CG 3.53Å; F17-F37 HydrophobicContact CE2-CG 3.53Å; F17-F37 AromaticContact CE2-CZ 3.54Å; F17-F37 HydrophobicContact CE2-CZ 3.54Å; F17-F37 AromaticContact CZ-CD1 3.68Å; F17-F37 HydrophobicContact CZ-CD1 3.68Å; F17-F37 HydrophobicContact CZ-CD2 4.38Å; F17-F37 AromaticContact CZ-CE1 3.17Å; F17-F37 HydrophobicContact CZ-CE1 3.17Å; F17-F37 AromaticContact CZ-CE2 3.96Å; F17-F37 HydrophobicContact CZ-CE2 3.96Å; F17-F37 HydrophobicContact CZ-CG 4.28Å; F17-F37 AromaticContact CZ-CZ 3.35Å; F17-F37 HydrophobicContact CZ-CZ 3.35Å; F17-V40 HydrophobicContact CB-CG2 3.64Å; F17-V40 HydrophobicContact CD1-CG2 4.09Å; F17-V40 HydrophobicContact CD2-CG2 3.61Å; F17-V40 HydrophobicContact CE2-CG2 4.35Å; F17-V40 HydrophobicContact CG-CG2 3.47Å; F17-V40 VanDerWaalsContact CG-CG2 3.47Å |
| 18 | L | 75.3 | Confident | 77.5 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 179.6 | -155.5 | 84.6 | 0 | 0 | 0 | 111.7 | T14 L15 L21 V22 | T14-L18 PolarHBondContact O-N 3.45Å; L15-L18 PolarHBondContact O-N 3.28Å; L18-L21 WeakPolarHBondContact O-CB 3.37Å; L18-L21 PolarHBondContact O-N 3.29Å; L18-V22 WeakPolarHBondContact O-CG2 3.28Å; L18-V22 PolarHBondContact O-N 2.88Å |
| 19 | I | 82.1 | Confident | 76.7 | Confident | 90 Ų | 90 | 81.7 Ų | 81.7 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.3 | -51.2 | 176.1 | -70.3 | 165 | 0 | 0 | 0 | 110.2 | L15 A16 F17 L21 V22 L23 | L15-I19 HydrophobicContact CD2-CD1 3.53Å; L15-I19 HydrophobicContact CD2-CG1 4.12Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.41Å; L15-I19 PolarHBondContact O-N 2.94Å; A16-I19 PolarHBondContact O-N 3.48Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.43Å; I19-L21 VanDerWaalsContact C-N 3.27Å; I19-L21 PolarHBondContact O-N 3.33Å; I19-V22 PolarHBondContact O-N 3.27Å; I19-L23 HydrophobicContact CG2-CD1 3.52Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 WeakPolarHBondContact O-CD1 2.99Å; I19-L23 PolarHBondContact O-N 3.41Å |
| 20 | M | 77.5 | Confident | 75.9 | Confident | 94 Ų | 94 | 85.6 Ų | 85.6 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 177.2 | -75.9 | -167 | 175.3 | 0 | 0 | 112.2 | A16 F17 K24 T36 | A16-M20 WeakPolarHBondContact O-CG 3.24Å; A16-M20 PolarHBondContact O-N 2.94Å; F17-M20 PolarHBondContact O-N 3.32Å; M20-K24 VanDerWaalsContact O-CB 3.26Å; M20-K24 WeakPolarHBondContact O-CB 3.37Å; M20-K24 PolarHBondContact O-N 3.3Å; M20-T36 HydrophobicContact CB-CG2 3.68Å |
| 21 | L | 73.8 | Confident | 75.4 | Confident | 31 Ų | 31 | 91.5 Ų | 91.5 | 16% | 0.162 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 177.5 | -171 | 80.2 | 0 | 0 | 0 | 111.1 | F17 L18 I19 K24 L25 W33 F37 | F17-L21 HydrophobicContact CE1-CD2 4.43Å; F17-L21 HydrophobicContact CE2-CD1 4.33Å; F17-L21 HydrophobicContact CZ-CD1 3.99Å; F17-L21 HydrophobicContact CZ-CD2 4.37Å; F17-L21 VanDerWaalsContact O-CB 3.31Å; F17-L21 WeakPolarHBondContact O-CB 3.44Å; F17-L21 PolarHBondContact O-N 2.96Å; L18-L21 WeakPolarHBondContact O-CB 3.37Å; L18-L21 PolarHBondContact O-N 3.29Å; I19-L21 VanDerWaalsContact C-N 3.27Å; I19-L21 PolarHBondContact O-N 3.33Å; L21-K24 PolarHBondContact O-N 3.31Å; L21-L25 HydrophobicContact CG-CD1 3.99Å; L21-L25 WeakPolarHBondContact O-CD1 3.36Å; L21-L25 PolarHBondContact O-N 3.18Å; L21-W33 HydrophobicContact CD1-CE3 4.45Å; L21-W33 HydrophobicContact CD1-CZ3 3.75Å; L21-F37 HydrophobicContact CD1-CE2 4.13Å; L21-F37 HydrophobicContact CD1-CZ 4.27Å |
| 22 | V | 74.8 | Confident | 74.7 | Confident | 91 Ų | 91 | 86.8 Ų | 86.8 | 55% | 0.552 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L18 I19 K24 L25 D26 | L18-V22 WeakPolarHBondContact O-CG2 3.28Å; L18-V22 PolarHBondContact O-N 2.88Å; I19-V22 PolarHBondContact O-N 3.27Å; V22-K24 PolarHBondContact O-N 2.94Å; V22-L25 PolarHBondContact O-N 2.75Å; V22-D26 WeakPolarHBondContact O-CB 3.4Å; V22-D26 PolarHBondContact O-N 2.93Å |
| 23 | L | 75.5 | Confident | 74 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 39% | 0.393 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 175.3 | -83.7 | 151.4 | 0 | 0 | 0 | 112.7 | I19 K28 V29 | I19-L23 HydrophobicContact CG2-CD1 3.52Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 WeakPolarHBondContact O-CD1 2.99Å; I19-L23 PolarHBondContact O-N 3.41Å; L23-K28 PolarHBondContact O-N 3.42Å; L23-V29 HydrophobicContact CB-CG2 4.42Å |
| 24 | K | 72.7 | Confident | 73.4 | Confident | 31 Ų | 31 | 84.2 Ų | 84.2 | 14% | 0.135 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 176.8 | -176.7 | 66.5 | -171 | 169.4 | 0 | 111.8 | M20 L21 V22 D26 G27 V29 H30 W31 W33 | M20-K24 VanDerWaalsContact O-CB 3.26Å; M20-K24 WeakPolarHBondContact O-CB 3.37Å; M20-K24 PolarHBondContact O-N 3.3Å; L21-K24 PolarHBondContact O-N 3.31Å; V22-K24 PolarHBondContact O-N 2.94Å; K24-D26 VanDerWaalsContact C-N 3.3Å; K24-G27 PolarHBondContact O-N 2.87Å; K24-V29 HydrophobicContact CD-CB 4.31Å; K24-V29 HydrophobicContact CD-CG1 4.45Å; K24-V29 WeakPolarHBondContact CD-O 3.43Å; K24-V29 WeakPolarHBondContact CE-O 3.44Å; K24-V29 PolarHBondContact NZ-O 3.49Å; K24-H30 PolarHBondContact NZ-O 3.24Å; K24-W31 WeakPolarHBondContact CE-O 3.26Å; K24-W31 PolarHBondContact NZ-O 2.7Å; K24-W33 HydrophobicContact CB-CH2 4.08Å; K24-W33 HydrophobicContact CB-CZ3 4.12Å; K24-W33 HydrophobicContact CG-CD2 4.15Å; K24-W33 HydrophobicContact CG-CE3 3.94Å; K24-W33 HydrophobicContact CG-CH2 3.41Å; K24-W33 VanDerWaalsContact CG-CH2 3.41Å; K24-W33 HydrophobicContact CG-CZ2 3.68Å; K24-W33 HydrophobicContact CG-CZ3 3.57Å |
| 25 | L | 67 | Low | 73.3 | Confident | 119 Ų | 119 | 84.3 Ų | 84.3 | 62% | 0.623 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.9 | -33.2 | 173.7 | -98.7 | 118.8 | 0 | 0 | 0 | 112.7 | L21 V22 G27 W33 L96 | L21-L25 HydrophobicContact CG-CD1 3.99Å; L21-L25 WeakPolarHBondContact O-CD1 3.36Å; L21-L25 PolarHBondContact O-N 3.18Å; V22-L25 PolarHBondContact O-N 2.75Å; L25-G27 PolarHBondContact O-N 3.24Å; L25-W33 HydrophobicContact CD1-CH2 4.24Å; L25-W33 HydrophobicContact CG-CH2 4.38Å; L25-L96 HydrophobicContact CD1-CD2 4.37Å |
| 26 | D | 75.1 | Confident | 73.1 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 1.3 | 175.7 | -162 | 49.6 | 0 | 0 | 0 | 112.8 | V22 K24 K28 | V22-D26 WeakPolarHBondContact O-CB 3.4Å; V22-D26 PolarHBondContact O-N 2.93Å; K24-D26 VanDerWaalsContact C-N 3.3Å; D26-K28 HydrophobicContact CB-CG 4.21Å; D26-K28 PolarHBondContact O-N 3.48Å; D26-K28 VanDerWaalsContact O-N 3.09Å; D26-K28 VanDerWaalsContact OD2-CG 3.28Å; D26-K28 WeakPolarHBondContact OD2-CG 3.15Å; D26-K28 IonicContact OD2-NZ 2.75Å; D26-K28 PolarHBondContact OD2-NZ 2.89Å |
| 27 | G | 67.4 | Low | 72.7 | Confident | 46 Ų | 46 | 78.2 Ų | 78.2 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 2.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K24 L25 V29 H30 | K24-G27 PolarHBondContact O-N 2.87Å; L25-G27 PolarHBondContact O-N 3.24Å; G27-V29 VanDerWaalsContact C-N 3.28Å; G27-V29 PolarHBondContact O-N 3.24Å; G27-H30 PolarHBondContact O-CE1 2.96Å |
| 28 | K | 67.3 | Low | 72.7 | Confident | 148 Ų | 148 | 80.5 Ų | 80.5 | 64% | 0.643 | 41% | 0.407 | S | S | * | . | trans | -69.2 | -24 | -179.2 | -64.4 | -84.3 | 174.6 | 52.5 | 0 | 112.9 | L23 D26 | L23-K28 PolarHBondContact O-N 3.42Å; D26-K28 HydrophobicContact CB-CG 4.21Å; D26-K28 PolarHBondContact O-N 3.48Å; D26-K28 VanDerWaalsContact O-N 3.09Å; D26-K28 VanDerWaalsContact OD2-CG 3.28Å; D26-K28 WeakPolarHBondContact OD2-CG 3.15Å; D26-K28 IonicContact OD2-NZ 2.75Å; D26-K28 PolarHBondContact OD2-NZ 2.89Å | ||
| 29 | V | 68.2 | Low | 72.8 | Confident | 49 Ų | 49 | 76.8 Ų | 76.8 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | trans | -123.6 | 127.1 | -173.1 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | L23 K24 G27 W31 | L23-V29 HydrophobicContact CB-CG2 4.42Å; K24-V29 HydrophobicContact CD-CB 4.31Å; K24-V29 HydrophobicContact CD-CG1 4.45Å; K24-V29 WeakPolarHBondContact CD-O 3.43Å; K24-V29 WeakPolarHBondContact CE-O 3.44Å; K24-V29 PolarHBondContact NZ-O 3.49Å; G27-V29 VanDerWaalsContact C-N 3.28Å; G27-V29 PolarHBondContact O-N 3.24Å; V29-W31 HydrophobicContact CG1-CB 3.95Å; V29-W31 HydrophobicContact CG1-CD2 4.38Å; V29-W31 HydrophobicContact CG1-CG 3.85Å | ||
| 30 | H | 64.8 | Low | 72.6 | Confident | 167 Ų | 167 | 73.7 Ų | 73.7 | 77% | 0.773 | 37% | 0.374 | S | S | * | . | trans | -98.2 | 4.4 | -175.9 | -70.1 | 42.8 | 0 | 0 | 0 | 113.9 | K24 G27 | K24-H30 PolarHBondContact NZ-O 3.24Å; G27-H30 PolarHBondContact O-CE1 2.96Å | ||
| 31 | W | 70.4 | Confident | 72.5 | Confident | 172 Ų | 172 | 72.9 Ų | 72.9 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -69.2 | 160.9 | -174.8 | -65.1 | 10.7 | 0 | 0 | 0 | 113.6 | K24 V29 L35 | K24-W31 WeakPolarHBondContact CE-O 3.26Å; K24-W31 PolarHBondContact NZ-O 2.7Å; V29-W31 HydrophobicContact CG1-CB 3.95Å; V29-W31 HydrophobicContact CG1-CD2 4.38Å; V29-W31 HydrophobicContact CG1-CG 3.85Å; W31-L35 HydrophobicContact CD2-CD2 4.19Å; W31-L35 HydrophobicContact CE3-CB 4.35Å; W31-L35 HydrophobicContact CE3-CD2 3.35Å; W31-L35 HydrophobicContact CE3-CG 4.41Å; W31-L35 HydrophobicContact CZ3-CD2 3.66Å |
| 32 | N | 69.8 | Low | 72.9 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 43% | 0.428 | 38% | 0.381 | S | S | . | . | trans | -63.1 | 143.8 | 179.4 | -157.9 | -2.2 | 0 | 0 | 0 | 111.5 | F34 L35 E97 | N32-F34 PolarHBondContact O-N 3.21Å; N32-F34 VanDerWaalsContact O-N 3.14Å; N32-L35 WeakPolarHBondContact O-CB 3.47Å; N32-L35 PolarHBondContact O-N 3.13Å; N32-E97 VanDerWaalsContact OD1-CD 3.27Å; N32-E97 PolarHBondContact OD1-OE1 3Å; N32-E97 VanDerWaalsContact OD1-OE1 3.11Å; N32-E97 PolarHBondContact OD1-OE2 3.09Å | ||
| 33 | W | 69.9 | Low | 73.1 | Confident | 28 Ų | 28 | 73.5 Ų | 73.5 | 11% | 0.106 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58 | -29.1 | 178.4 | -76.4 | 98.2 | 0 | 0 | 0 | 111.8 | L21 K24 L25 L35 T36 F37 L96 E97 | L21-W33 HydrophobicContact CD1-CE3 4.45Å; L21-W33 HydrophobicContact CD1-CZ3 3.75Å; K24-W33 HydrophobicContact CB-CH2 4.08Å; K24-W33 HydrophobicContact CB-CZ3 4.12Å; K24-W33 HydrophobicContact CG-CD2 4.15Å; K24-W33 HydrophobicContact CG-CE3 3.94Å; K24-W33 HydrophobicContact CG-CH2 3.41Å; K24-W33 VanDerWaalsContact CG-CH2 3.41Å; K24-W33 HydrophobicContact CG-CZ2 3.68Å; K24-W33 HydrophobicContact CG-CZ3 3.57Å; L25-W33 HydrophobicContact CD1-CH2 4.24Å; L25-W33 HydrophobicContact CG-CH2 4.38Å; W33-L35 VanDerWaalsContact C-N 3.25Å; W33-L35 PolarHBondContact O-N 3.2Å; W33-T36 PolarHBondContact O-N 3.37Å; W33-F37 HydrophobicContact CE3-CE2 4.34Å; W33-F37 WeakPolarHBondContact O-CD2 3.16Å; W33-F37 PolarHBondContact O-N 3.09Å; W33-L96 HydrophobicContact CD2-CB 3.88Å; W33-L96 HydrophobicContact CD2-CD2 4.46Å; W33-L96 HydrophobicContact CE3-CB 4.16Å; W33-L96 HydrophobicContact CE3-CD2 3.99Å; W33-L96 HydrophobicContact CG-CB 4.45Å; W33-L96 HydrophobicContact CH2-CB 4.18Å; W33-L96 HydrophobicContact CH2-CD2 3.26Å; W33-L96 HydrophobicContact CH2-CG 4.27Å; W33-L96 HydrophobicContact CZ2-CB 3.85Å; W33-L96 HydrophobicContact CZ2-CD2 3.76Å; W33-L96 HydrophobicContact CZ2-CG 4.32Å; W33-L96 HydrophobicContact CZ3-CB 4.31Å; W33-L96 HydrophobicContact CZ3-CD2 3.37Å; W33-L96 HydrophobicContact CZ3-CG 4.46Å; W33-L96 PolarHBondContact NE1-O 2.99Å; W33-L96 VanDerWaalsContact NE1-O 3.12Å; W33-E97 VanDerWaalsContact CD1-CA 3.47Å; W33-E97 HydrophobicContact CG-CB 4.48Å |
| 34 | F | 69.2 | Low | 73.2 | Confident | 102 Ų | 102 | 71 Ų | 71 | 45% | 0.447 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.2 | -37.4 | 173.3 | -153.1 | -92 | 0 | 0 | 0 | 113.2 | N32 F37 L38 W41 | N32-F34 PolarHBondContact O-N 3.21Å; N32-F34 VanDerWaalsContact O-N 3.14Å; F34-F37 PolarHBondContact O-N 3.4Å; F34-L38 PolarHBondContact O-N 2.93Å; F34-W41 HydrophobicContact CD2-CZ2 4.26Å; F34-W41 AromaticContact CE2-CE2 3.95Å; F34-W41 AromaticContact CE2-CH2 3.81Å; F34-W41 HydrophobicContact CE2-CH2 3.81Å; F34-W41 AromaticContact CE2-CZ2 3.38Å; F34-W41 HydrophobicContact CE2-CZ2 3.38Å; F34-W41 HydrophobicContact CZ-CD2 4.39Å; F34-W41 AromaticContact CZ-CE2 3.95Å; F34-W41 AromaticContact CZ-CH2 3.84Å; F34-W41 HydrophobicContact CZ-CH2 3.84Å; F34-W41 AromaticContact CZ-CZ2 3.67Å; F34-W41 HydrophobicContact CZ-CZ2 3.67Å; F34-W41 HydrophobicContact CZ-CZ3 4.33Å |
| 35 | L | 74.8 | Confident | 73.6 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 42% | 0.419 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.6 | -34.6 | 179.6 | -113 | 71.8 | 0 | 0 | 0 | 112.6 | W31 N32 W33 F37 L38 | W31-L35 HydrophobicContact CD2-CD2 4.19Å; W31-L35 HydrophobicContact CE3-CB 4.35Å; W31-L35 HydrophobicContact CE3-CD2 3.35Å; W31-L35 HydrophobicContact CE3-CG 4.41Å; W31-L35 HydrophobicContact CZ3-CD2 3.66Å; N32-L35 WeakPolarHBondContact O-CB 3.47Å; N32-L35 PolarHBondContact O-N 3.13Å; W33-L35 VanDerWaalsContact C-N 3.25Å; W33-L35 PolarHBondContact O-N 3.2Å; L35-F37 PolarHBondContact O-N 3.41Å; L35-L38 WeakPolarHBondContact O-CB 3.43Å; L35-L38 PolarHBondContact O-N 2.65Å |
| 36 | T | 76.6 | Confident | 74.4 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 175.2 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | M20 W33 | M20-T36 HydrophobicContact CB-CG2 3.68Å; W33-T36 PolarHBondContact O-N 3.37Å |
| 37 | F | 74 | Confident | 74.6 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 2% | 0.022 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -85.9 | -10.6 | 178.7 | -78.2 | -102.4 | 0 | 0 | 0 | 113.4 | F17 L21 W33 F34 L35 P39 V40 W41 C89 C93 | F17-F37 HydrophobicContact CD2-CD1 4.21Å; F17-F37 HydrophobicContact CD2-CG 4.34Å; F17-F37 HydrophobicContact CE1-CE1 4.3Å; F17-F37 HydrophobicContact CE2-CB 4.39Å; F17-F37 AromaticContact CE2-CD1 3.3Å; F17-F37 HydrophobicContact CE2-CD1 3.3Å; F17-F37 AromaticContact CE2-CD2 3.69Å; F17-F37 HydrophobicContact CE2-CD2 3.69Å; F17-F37 AromaticContact CE2-CE1 3.32Å; F17-F37 HydrophobicContact CE2-CE1 3.32Å; F17-F37 AromaticContact CE2-CE2 3.7Å; F17-F37 HydrophobicContact CE2-CE2 3.7Å; F17-F37 AromaticContact CE2-CG 3.53Å; F17-F37 HydrophobicContact CE2-CG 3.53Å; F17-F37 AromaticContact CE2-CZ 3.54Å; F17-F37 HydrophobicContact CE2-CZ 3.54Å; F17-F37 AromaticContact CZ-CD1 3.68Å; F17-F37 HydrophobicContact CZ-CD1 3.68Å; F17-F37 HydrophobicContact CZ-CD2 4.38Å; F17-F37 AromaticContact CZ-CE1 3.17Å; F17-F37 HydrophobicContact CZ-CE1 3.17Å; F17-F37 AromaticContact CZ-CE2 3.96Å; F17-F37 HydrophobicContact CZ-CE2 3.96Å; F17-F37 HydrophobicContact CZ-CG 4.28Å; F17-F37 AromaticContact CZ-CZ 3.35Å; F17-F37 HydrophobicContact CZ-CZ 3.35Å; L21-F37 HydrophobicContact CD1-CE2 4.13Å; L21-F37 HydrophobicContact CD1-CZ 4.27Å; W33-F37 HydrophobicContact CE3-CE2 4.34Å; W33-F37 WeakPolarHBondContact O-CD2 3.16Å; W33-F37 PolarHBondContact O-N 3.09Å; F34-F37 PolarHBondContact O-N 3.4Å; L35-F37 PolarHBondContact O-N 3.41Å; F37-P39 VanDerWaalsContact C-CD 3.47Å; F37-P39 VanDerWaalsContact C-N 3.34Å; F37-P39 VanDerWaalsContact O-N 3.15Å; F37-V40 WeakPolarHBondContact O-CA 3.49Å; F37-V40 WeakPolarHBondContact O-CB 3.4Å; F37-V40 PolarHBondContact O-N 3.49Å; F37-W41 VanDerWaalsContact O-CD1 3.25Å; F37-W41 PolarHBondContact O-N 3.11Å; F37-C89 HydrophobicContact CD1-CB 4.42Å; F37-C89 HydrophobicContact CE1-CB 4.19Å; F37-C93 WeakPolarHBondContact CD2-SG 3.21Å; F37-C93 WeakPolarHBondContact CE2-SG 3.44Å; F37-C93 VanDerWaalsContact CG-SG 3.52Å; F37-C93 VanDerWaalsContact CZ-SG 3.51Å |
| 38 | L | 81.9 | Confident | 75.2 | Confident | 79 Ų | 79 | 68 Ų | 68 | 41% | 0.414 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -43.3 | -48.4 | -178.3 | -164 | 96.9 | 0 | 0 | 0 | 114.6 | F34 L35 V40 W41 I42 | F34-L38 PolarHBondContact O-N 2.93Å; L35-L38 WeakPolarHBondContact O-CB 3.43Å; L35-L38 PolarHBondContact O-N 2.65Å; L38-V40 VanDerWaalsContact C-N 3.28Å; L38-V40 PolarHBondContact O-N 2.78Å; L38-W41 PolarHBondContact O-N 3.42Å; L38-I42 HydrophobicContact CD2-CD1 4.14Å; L38-I42 HydrophobicContact CG-CD1 4.15Å; L38-I42 WeakPolarHBondContact O-CG1 3.27Å; L38-I42 PolarHBondContact O-N 3.22Å |
| 39 | P | 75.6 | Confident | 76 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -35.9 | 176.6 | 18 | -30.5 | 0 | 0 | 0 | 113.7 | F13 F37 F43 | F13-P39 HydrophobicContact CD1-CB 3.88Å; F13-P39 HydrophobicContact CE1-CB 4.39Å; F37-P39 VanDerWaalsContact C-CD 3.47Å; F37-P39 VanDerWaalsContact C-N 3.34Å; F37-P39 VanDerWaalsContact O-N 3.15Å; P39-F43 WeakPolarHBondContact O-CB 3.38Å; P39-F43 PolarHBondContact O-N 2.93Å |
| 40 | V | 78.2 | Confident | 76.7 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71 | -45.5 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | F17 F37 L38 I42 F43 D44 | F17-V40 HydrophobicContact CB-CG2 3.64Å; F17-V40 HydrophobicContact CD1-CG2 4.09Å; F17-V40 HydrophobicContact CD2-CG2 3.61Å; F17-V40 HydrophobicContact CE2-CG2 4.35Å; F17-V40 HydrophobicContact CG-CG2 3.47Å; F17-V40 VanDerWaalsContact CG-CG2 3.47Å; F37-V40 WeakPolarHBondContact O-CA 3.49Å; F37-V40 WeakPolarHBondContact O-CB 3.4Å; F37-V40 PolarHBondContact O-N 3.49Å; L38-V40 VanDerWaalsContact C-N 3.28Å; L38-V40 PolarHBondContact O-N 2.78Å; V40-I42 VanDerWaalsContact C-N 3.33Å; V40-I42 PolarHBondContact O-N 3.45Å; V40-F43 PolarHBondContact O-N 3.42Å; V40-F43 VanDerWaalsContact O-N 3.15Å; V40-D44 WeakPolarHBondContact CG1-OD2 3.43Å; V40-D44 WeakPolarHBondContact O-CB 2.99Å; V40-D44 PolarHBondContact O-N 3.27Å |
| 41 | W | 76.8 | Confident | 77.2 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 30% | 0.295 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 177.4 | -81.5 | 87.9 | 0 | 0 | 0 | 113.1 | F34 F37 L38 F43 G45 L90 | F34-W41 HydrophobicContact CD2-CZ2 4.26Å; F34-W41 AromaticContact CE2-CE2 3.95Å; F34-W41 AromaticContact CE2-CH2 3.81Å; F34-W41 HydrophobicContact CE2-CH2 3.81Å; F34-W41 AromaticContact CE2-CZ2 3.38Å; F34-W41 HydrophobicContact CE2-CZ2 3.38Å; F34-W41 HydrophobicContact CZ-CD2 4.39Å; F34-W41 AromaticContact CZ-CE2 3.95Å; F34-W41 AromaticContact CZ-CH2 3.84Å; F34-W41 HydrophobicContact CZ-CH2 3.84Å; F34-W41 AromaticContact CZ-CZ2 3.67Å; F34-W41 HydrophobicContact CZ-CZ2 3.67Å; F34-W41 HydrophobicContact CZ-CZ3 4.33Å; F37-W41 VanDerWaalsContact O-CD1 3.25Å; F37-W41 PolarHBondContact O-N 3.11Å; L38-W41 PolarHBondContact O-N 3.42Å; W41-F43 VanDerWaalsContact C-N 3.34Å; W41-G45 PolarHBondContact O-N 3.4Å; W41-L90 HydrophobicContact CH2-CD1 3.35Å; W41-L90 HydrophobicContact CH2-CD2 3.98Å; W41-L90 HydrophobicContact CH2-CG 3.82Å; W41-L90 HydrophobicContact CZ2-CD1 3.28Å; W41-L90 HydrophobicContact CZ2-CD2 4.18Å; W41-L90 HydrophobicContact CZ2-CG 3.58Å; W41-L90 HydrophobicContact CZ3-CD1 4.24Å |
| 42 | I | 80.9 | Confident | 77.7 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 178.2 | -68.2 | 173.1 | 0 | 0 | 0 | 109.7 | L38 V40 G45 I46 | L38-I42 HydrophobicContact CD2-CD1 4.14Å; L38-I42 HydrophobicContact CG-CD1 4.15Å; L38-I42 WeakPolarHBondContact O-CG1 3.27Å; L38-I42 PolarHBondContact O-N 3.22Å; V40-I42 VanDerWaalsContact C-N 3.33Å; V40-I42 PolarHBondContact O-N 3.45Å; I42-G45 PolarHBondContact O-N 3Å; I42-I46 HydrophobicContact CG2-CD1 3.74Å; I42-I46 HydrophobicContact CG2-CG1 4.5Å; I42-I46 WeakPolarHBondContact O-CD1 3.39Å; I42-I46 WeakPolarHBondContact O-CG1 3.17Å; I42-I46 PolarHBondContact O-N 3.45Å |
| 43 | F | 78.8 | Confident | 78.3 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.5 | -49 | -179.8 | -176.4 | -100.9 | 0 | 0 | 0 | 112.6 | L9 T10 F13 P39 V40 W41 G45 I46 L47 | L9-F43 HydrophobicContact CD2-CE2 4.27Å; T10-F43 HydrophobicContact CG2-CE1 3.8Å; T10-F43 HydrophobicContact CG2-CZ 3.7Å; T10-F43 WeakPolarHBondContact OG1-CZ 3.09Å; F13-F43 HydrophobicContact CD2-CD2 4.16Å; P39-F43 WeakPolarHBondContact O-CB 3.38Å; P39-F43 PolarHBondContact O-N 2.93Å; V40-F43 PolarHBondContact O-N 3.42Å; V40-F43 VanDerWaalsContact O-N 3.15Å; W41-F43 VanDerWaalsContact C-N 3.34Å; F43-G45 VanDerWaalsContact C-N 3.35Å; F43-G45 PolarHBondContact O-N 3.41Å; F43-I46 PolarHBondContact O-N 2.89Å; F43-L47 HydrophobicContact CD1-CD1 3.8Å; F43-L47 HydrophobicContact CE1-CD1 3.25Å; F43-L47 HydrophobicContact CE1-CG 4.32Å; F43-L47 HydrophobicContact CE2-CD1 4.42Å; F43-L47 HydrophobicContact CZ-CD1 3.6Å; F43-L47 HydrophobicContact CZ-CG 4.34Å; F43-L47 PolarHBondContact O-N 3.28Å; F43-L47 VanDerWaalsContact O-N 3.07Å |
| 44 | D | 77.3 | Confident | 78.7 | Confident | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176 | -80.4 | -59.6 | 0 | 0 | 0 | 111.5 | V40 I46 L47 L48 M82 L86 | V40-D44 WeakPolarHBondContact CG1-OD2 3.43Å; V40-D44 WeakPolarHBondContact O-CB 2.99Å; V40-D44 PolarHBondContact O-N 3.27Å; D44-I46 PolarHBondContact O-N 2.98Å; D44-L47 PolarHBondContact O-N 3.47Å; D44-L48 WeakPolarHBondContact O-CB 3.31Å; D44-L48 PolarHBondContact O-N 3.22Å; D44-M82 HydrophobicContact CB-CE 4.06Å; D44-M82 VanDerWaalsContact O-CE 3.29Å; D44-M82 WeakPolarHBondContact O-CE 3.42Å; D44-M82 VanDerWaalsContact OD1-CE 3.26Å; D44-M82 WeakPolarHBondContact OD1-CE 3.35Å; D44-L86 HydrophobicContact CB-CD1 4.12Å; D44-L86 HydrophobicContact CB-CD2 3.86Å; D44-L86 HydrophobicContact CB-CG 4.1Å |
| 45 | G | 82 | Confident | 78.9 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | W41 I42 F43 L48 L49 | W41-G45 PolarHBondContact O-N 3.4Å; I42-G45 PolarHBondContact O-N 3Å; F43-G45 VanDerWaalsContact C-N 3.35Å; F43-G45 PolarHBondContact O-N 3.41Å; G45-L48 PolarHBondContact O-N 2.95Å; G45-L49 VanDerWaalsContact O-CB 3.31Å; G45-L49 WeakPolarHBondContact O-CB 3.45Å; G45-L49 PolarHBondContact O-N 3.22Å |
| 46 | I | 83.9 | Confident | 79.1 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 45% | 0.451 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 177 | -69.9 | 164.3 | 0 | 0 | 0 | 111 | I42 F43 D44 L49 M50 | I42-I46 HydrophobicContact CG2-CD1 3.74Å; I42-I46 HydrophobicContact CG2-CG1 4.5Å; I42-I46 WeakPolarHBondContact O-CD1 3.39Å; I42-I46 WeakPolarHBondContact O-CG1 3.17Å; I42-I46 PolarHBondContact O-N 3.45Å; F43-I46 PolarHBondContact O-N 2.89Å; D44-I46 PolarHBondContact O-N 2.98Å; I46-L49 PolarHBondContact O-N 2.98Å; I46-M50 HydrophobicContact CG2-CE 4.49Å; I46-M50 WeakPolarHBondContact O-CB 3.18Å; I46-M50 PolarHBondContact O-N 2.98Å |
| 47 | L | 79.4 | Confident | 79.2 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.6 | -84.6 | 170.9 | 0 | 0 | 0 | 111.7 | F43 D44 L49 M50 L51 M82 | F43-L47 HydrophobicContact CD1-CD1 3.8Å; F43-L47 HydrophobicContact CE1-CD1 3.25Å; F43-L47 HydrophobicContact CE1-CG 4.32Å; F43-L47 HydrophobicContact CE2-CD1 4.42Å; F43-L47 HydrophobicContact CZ-CD1 3.6Å; F43-L47 HydrophobicContact CZ-CG 4.34Å; F43-L47 PolarHBondContact O-N 3.28Å; F43-L47 VanDerWaalsContact O-N 3.07Å; D44-L47 PolarHBondContact O-N 3.47Å; L47-L49 VanDerWaalsContact C-N 3.35Å; L47-M50 PolarHBondContact O-N 3.33Å; L47-L51 WeakPolarHBondContact O-CG 3.22Å; L47-L51 PolarHBondContact O-N 3.29Å; L47-M82 HydrophobicContact CB-CE 3.19Å; L47-M82 HydrophobicContact CB-SD 4.09Å; L47-M82 HydrophobicContact CD1-CE 3.75Å; L47-M82 HydrophobicContact CG-CE 4.11Å |
| 48 | L | 79.4 | Confident | 78.9 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.7 | -165 | 108.1 | 0 | 0 | 0 | 111 | D44 G45 L51 L52 L79 L83 | D44-L48 WeakPolarHBondContact O-CB 3.31Å; D44-L48 PolarHBondContact O-N 3.22Å; G45-L48 PolarHBondContact O-N 2.95Å; L48-L51 PolarHBondContact O-N 3.42Å; L48-L52 HydrophobicContact CD2-CD1 3.91Å; L48-L52 HydrophobicContact CG-CD1 4.37Å; L48-L52 WeakPolarHBondContact O-CB 3.44Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 3.29Å; L48-L79 HydrophobicContact CD1-CD2 4.03Å; L48-L79 HydrophobicContact CG-CD2 4.16Å; L48-L83 HydrophobicContact CD1-CD1 3.78Å; L48-L83 HydrophobicContact CD1-CG 4.43Å |
| 49 | L | 84.9 | Confident | 78.1 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | 177.1 | -173.9 | 67 | 0 | 0 | 0 | 111.6 | G45 I46 L47 L51 L52 V53 | G45-L49 VanDerWaalsContact O-CB 3.31Å; G45-L49 WeakPolarHBondContact O-CB 3.45Å; G45-L49 PolarHBondContact O-N 3.22Å; I46-L49 PolarHBondContact O-N 2.98Å; L47-L49 VanDerWaalsContact C-N 3.35Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 2.84Å; L49-L52 PolarHBondContact O-N 2.97Å; L49-V53 HydrophobicContact CD1-CG2 4.46Å; L49-V53 HydrophobicContact CG-CG2 4.46Å; L49-V53 WeakPolarHBondContact O-CB 3.3Å; L49-V53 VanDerWaalsContact O-CG2 3.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.38Å; L49-V53 PolarHBondContact O-N 3.33Å |
| 50 | M | 82.1 | Confident | 77.8 | Confident | 103 Ų | 103 | 75.3 Ų | 75.3 | 51% | 0.507 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 175.3 | -83.3 | -163.3 | -179.1 | 0 | 0 | 112.2 | I46 L47 K54 | I46-M50 HydrophobicContact CG2-CE 4.49Å; I46-M50 WeakPolarHBondContact O-CB 3.18Å; I46-M50 PolarHBondContact O-N 2.98Å; L47-M50 PolarHBondContact O-N 3.33Å; M50-K54 WeakPolarHBondContact O-CB 3.22Å; M50-K54 WeakPolarHBondContact O-CG 3.34Å; M50-K54 PolarHBondContact O-N 2.88Å |
| 51 | L | 76.4 | Confident | 77.3 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 20% | 0.199 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 176.2 | -79.3 | 164.1 | 0 | 0 | 0 | 111.2 | L47 L48 L49 K54 M55 L79 M82 | L47-L51 WeakPolarHBondContact O-CG 3.22Å; L47-L51 PolarHBondContact O-N 3.29Å; L48-L51 PolarHBondContact O-N 3.42Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 2.84Å; L51-K54 PolarHBondContact O-N 2.96Å; L51-M55 VanDerWaalsContact O-CG 3.28Å; L51-M55 WeakPolarHBondContact O-CG 3.39Å; L51-M55 PolarHBondContact O-N 3.3Å; L51-L79 HydrophobicContact CB-CD2 3.7Å; L51-L79 HydrophobicContact CB-CG 4.23Å; L51-L79 HydrophobicContact CD1-CD2 3.92Å; L51-L79 HydrophobicContact CD1-CG 4.35Å; L51-L79 HydrophobicContact CG-CD2 4.43Å; L51-M82 HydrophobicContact CD1-SD 4.04Å |
| 52 | L | 80.4 | Confident | 76.6 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 41% | 0.408 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 177.6 | -75.6 | 169.8 | 0 | 0 | 0 | 111.8 | L48 L49 K54 M55 V56 | L48-L52 HydrophobicContact CD2-CD1 3.91Å; L48-L52 HydrophobicContact CG-CD1 4.37Å; L48-L52 WeakPolarHBondContact O-CB 3.44Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 3.29Å; L49-L52 PolarHBondContact O-N 2.97Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.42Å; L52-M55 WeakPolarHBondContact O-CA 3.49Å; L52-M55 WeakPolarHBondContact O-CB 3.18Å; L52-M55 PolarHBondContact O-N 2.85Å; L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 3.35Å |
| 53 | V | 82.9 | Confident | 75.4 | Confident | 87 Ų | 87 | 80 Ų | 80 | 53% | 0.527 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L49 M55 V56 A57 | L49-V53 HydrophobicContact CD1-CG2 4.46Å; L49-V53 HydrophobicContact CG-CG2 4.46Å; L49-V53 WeakPolarHBondContact O-CB 3.3Å; L49-V53 VanDerWaalsContact O-CG2 3.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.38Å; L49-V53 PolarHBondContact O-N 3.33Å; V53-M55 VanDerWaalsContact C-N 3.28Å; V53-M55 PolarHBondContact O-N 3.31Å; V53-V56 PolarHBondContact O-N 3.16Å; V53-A57 WeakPolarHBondContact O-CB 3.44Å; V53-A57 PolarHBondContact O-N 3.02Å |
| 54 | K | 78.1 | Confident | 74.5 | Confident | 123 Ų | 123 | 83.6 Ų | 83.6 | 54% | 0.535 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65 | -28.5 | 174.7 | -82.8 | -177.6 | 172.1 | -177.9 | 0 | 113.7 | M50 L51 L52 R58 | M50-K54 WeakPolarHBondContact O-CB 3.22Å; M50-K54 WeakPolarHBondContact O-CG 3.34Å; M50-K54 PolarHBondContact O-N 2.88Å; L51-K54 PolarHBondContact O-N 2.96Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.42Å; K54-R58 PolarHBondContact O-N 3.29Å |
| 55 | M | 72.6 | Confident | 73.7 | Confident | 26 Ų | 26 | 86.9 Ų | 86.9 | 13% | 0.128 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -73.3 | -53 | 174.8 | -74 | -71.1 | -101.4 | 0 | 0 | 110.3 | L51 L52 V53 A57 R58 C59 L72 K75 L79 | L51-M55 VanDerWaalsContact O-CG 3.28Å; L51-M55 WeakPolarHBondContact O-CG 3.39Å; L51-M55 PolarHBondContact O-N 3.3Å; L52-M55 WeakPolarHBondContact O-CA 3.49Å; L52-M55 WeakPolarHBondContact O-CB 3.18Å; L52-M55 PolarHBondContact O-N 2.85Å; V53-M55 VanDerWaalsContact C-N 3.28Å; V53-M55 PolarHBondContact O-N 3.31Å; M55-A57 VanDerWaalsContact C-N 3.33Å; M55-A57 PolarHBondContact O-N 2.98Å; M55-R58 PolarHBondContact O-N 2.94Å; M55-R58 VanDerWaalsContact O-N 3.16Å; M55-C59 PolarHBondContact O-N 3.15Å; M55-C59 PolarHBondContact O-SG 2.87Å; M55-C59 VanDerWaalsContact O-SG 3.38Å; M55-L72 HydrophobicContact CE-CG 3.89Å; M55-L72 HydrophobicContact SD-CD1 4.35Å; M55-L72 HydrophobicContact SD-CG 4.35Å; M55-K75 HydrophobicContact CE-CB 3.72Å; M55-K75 HydrophobicContact CE-CD 4.5Å; M55-K75 HydrophobicContact CG-CB 4.5Å; M55-K75 HydrophobicContact CG-CD 4Å; M55-K75 HydrophobicContact SD-CB 3.53Å; M55-K75 VanDerWaalsContact SD-CB 3.53Å; M55-K75 HydrophobicContact SD-CD 3.23Å; M55-K75 WeakPolarHBondContact SD-CD 3.3Å; M55-K75 HydrophobicContact SD-CG 4.04Å; M55-L79 HydrophobicContact CG-CD1 4.43Å |
| 56 | V | 78.7 | Confident | 72.4 | Confident | 97 Ų | 97 | 96 Ų | 96 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | -179.7 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | L52 V53 R58 C59 K60 | L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 3.35Å; V53-V56 PolarHBondContact O-N 3.16Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 3.14Å; V56-C59 PolarHBondContact O-N 2.9Å; V56-K60 PolarHBondContact O-N 3.28Å |
| 57 | A | 78.1 | Confident | 71.1 | Confident | 57 Ų | 57 | 98.7 Ų | 98.7 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V53 M55 K60 A61 | V53-A57 WeakPolarHBondContact O-CB 3.44Å; V53-A57 PolarHBondContact O-N 3.02Å; M55-A57 VanDerWaalsContact C-N 3.33Å; M55-A57 PolarHBondContact O-N 2.98Å; A57-K60 PolarHBondContact O-N 2.97Å; A57-A61 WeakPolarHBondContact O-CB 3.39Å; A57-A61 PolarHBondContact O-N 3.22Å |
| 58 | R | 68.2 | Low | 70.1 | Confident | 108 Ų | 108 | 97.1 Ų | 97.1 | 41% | 0.408 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73 | -34 | 174.2 | -82.1 | -135.7 | -63.7 | -135.8 | -10 | 112.8 | K54 M55 V56 K60 A61 D71 | K54-R58 PolarHBondContact O-N 3.29Å; M55-R58 PolarHBondContact O-N 2.94Å; M55-R58 VanDerWaalsContact O-N 3.16Å; V56-R58 VanDerWaalsContact C-N 3.33Å; V56-R58 PolarHBondContact O-N 3.14Å; R58-K60 VanDerWaalsContact C-N 3.25Å; R58-K60 PolarHBondContact O-N 3.16Å; R58-A61 PolarHBondContact O-N 3.01Å; R58-D71 IonicContact CZ-OD1 3.61Å; R58-D71 IonicContact CZ-OD2 3.41Å; R58-D71 IonicContact NH1-OD1 3.65Å; R58-D71 IonicContact NH1-OD2 2.82Å; R58-D71 PolarHBondContact NH1-OD2 2.97Å; R58-D71 IonicContact NH2-OD1 2.68Å; R58-D71 PolarHBondContact NH2-OD1 3.06Å; R58-D71 IonicContact NH2-OD2 3.22Å; R58-D71 PolarHBondContact NH2-OD2 3.22Å |
| 59 | C | 65.9 | Low | 69.1 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -33.1 | 173.1 | -66.6 | 0 | 0 | 0 | 0 | 112 | M55 V56 | M55-C59 PolarHBondContact O-N 3.15Å; M55-C59 PolarHBondContact O-SG 2.87Å; M55-C59 VanDerWaalsContact O-SG 3.38Å; V56-C59 PolarHBondContact O-N 2.9Å |
| 60 | K | 69.6 | Low | 68 | Low | 189 Ų | 189 | 99.4 Ų | 99.4 | 82% | 0.822 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -79.5 | -24.3 | -179.3 | -166 | 179 | 175 | -169.2 | 0 | 114.1 | V56 A57 R58 G62 | V56-K60 PolarHBondContact O-N 3.28Å; A57-K60 PolarHBondContact O-N 2.97Å; R58-K60 VanDerWaalsContact C-N 3.25Å; R58-K60 PolarHBondContact O-N 3.16Å; K60-G62 VanDerWaalsContact C-N 3.31Å; K60-G62 PolarHBondContact O-N 3.46Å |
| 61 | A | 67.8 | Low | 67.3 | Low | 84 Ų | 84 | 97.7 Ų | 97.7 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -83.6 | 15.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | A57 R58 | A57-A61 WeakPolarHBondContact O-CB 3.39Å; A57-A61 PolarHBondContact O-N 3.22Å; R58-A61 PolarHBondContact O-N 3.01Å |
| 62 | G | 60.8 | Low | 66.8 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 66% | 0.66 | 55% | 0.545 | S | S | * | . | trans | 90.2 | 106.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | K60 D64 | K60-G62 VanDerWaalsContact C-N 3.31Å; K60-G62 PolarHBondContact O-N 3.46Å; G62-D64 PolarHBondContact O-N 3.3Å | ||
| 63 | H | 56.2 | Low | 66.3 | Low | 147 Ų | 147 | 102.9 Ų | 102.9 | 68% | 0.681 | 56% | 0.557 | S | S | * | * | trans | -78.5 | 103.2 | -171.7 | -172.3 | 99.7 | 0 | 0 | 0 | 110.1 | P65 | H63-P65 VanDerWaalsContact O-CD 3.27Å; H63-P65 WeakPolarHBondContact O-CD 3.38Å | ||
| 64 | D | 60.6 | Low | 65.6 | Low | 117 Ų | 117 | 103.6 Ų | 103.6 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | trans | -85 | 105.6 | 161.9 | -165 | -63.9 | 0 | 0 | 0 | 108.6 | G62 R66 | G62-D64 PolarHBondContact O-N 3.3Å; D64-R66 PolarHBondContact O-N 2.82Å; D64-R66 PolarHBondContact OD1-N 3.29Å | ||
| 65 | P | 58.8 | Low | 65.2 | Low | 91 Ų | 91 | 99.3 Ų | 99.3 | 59% | 0.591 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.3 | -167.5 | 28.5 | -33.3 | 0 | 0 | 0 | 113.8 | H63 | H63-P65 VanDerWaalsContact O-CD 3.27Å; H63-P65 WeakPolarHBondContact O-CD 3.38Å |
| 66 | R | 56.1 | Low | 65.2 | Low | 229 Ų | 229 | 100.4 Ų | 100.4 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -23.1 | -166.1 | -153.8 | 166.6 | 170.5 | -179.9 | -4.6 | 113.9 | D64 | D64-R66 PolarHBondContact O-N 2.82Å; D64-R66 PolarHBondContact OD1-N 3.29Å |
| 67 | N | 56.6 | Low | 64.9 | Low | 144 Ų | 144 | 100.1 Ų | 100.1 | 77% | 0.77 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | -8.5 | 178.2 | -156.2 | 53.8 | 0 | 0 | 0 | 114.1 | ||
| 68 | G | 57.1 | Low | 64.6 | Low | 31 Ų | 31 | 105 Ų | 105 | 32% | 0.32 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -79.9 | -22.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q70 D71 L72 | G68-Q70 PolarHBondContact O-N 3.24Å; G68-D71 PolarHBondContact O-N 2.78Å; G68-L72 PolarHBondContact O-N 2.93Å |
| 69 | S | 58.6 | Low | 64.5 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | -171.3 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | K73 | S69-K73 WeakPolarHBondContact O-CB 3.3Å; S69-K73 WeakPolarHBondContact O-CG 3.27Å; S69-K73 PolarHBondContact O-N 3.35Å |
| 70 | Q | 62.4 | Low | 64.9 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73 | -37.4 | 177.4 | -67.7 | -153.8 | -0.3 | 0 | 0 | 112.9 | G68 K73 K74 | G68-Q70 PolarHBondContact O-N 3.24Å; Q70-K73 PolarHBondContact O-N 3.48Å; Q70-K74 WeakPolarHBondContact O-CG 3.24Å; Q70-K74 PolarHBondContact O-N 3.39Å |
| 71 | D | 67.4 | Low | 64.9 | Low | 68 Ų | 68 | 92 Ų | 92 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.4 | -35.5 | 178.8 | -159.2 | -36 | 0 | 0 | 0 | 110.8 | R58 G68 K75 | R58-D71 IonicContact CZ-OD1 3.61Å; R58-D71 IonicContact CZ-OD2 3.41Å; R58-D71 IonicContact NH1-OD1 3.65Å; R58-D71 IonicContact NH1-OD2 2.82Å; R58-D71 PolarHBondContact NH1-OD2 2.97Å; R58-D71 IonicContact NH2-OD1 2.68Å; R58-D71 PolarHBondContact NH2-OD1 3.06Å; R58-D71 IonicContact NH2-OD2 3.22Å; R58-D71 PolarHBondContact NH2-OD2 3.22Å; G68-D71 PolarHBondContact O-N 2.78Å; D71-K75 WeakPolarHBondContact O-CB 3.35Å; D71-K75 PolarHBondContact O-N 3.43Å |
| 72 | L | 66.6 | Low | 64.9 | Low | 72 Ų | 72 | 89.1 Ų | 89.1 | 38% | 0.377 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 170 | -121 | 81.5 | 0 | 0 | 0 | 112 | M55 G68 K75 A76 | M55-L72 HydrophobicContact CE-CG 3.89Å; M55-L72 HydrophobicContact SD-CD1 4.35Å; M55-L72 HydrophobicContact SD-CG 4.35Å; G68-L72 PolarHBondContact O-N 2.93Å; L72-K75 PolarHBondContact O-N 3.43Å; L72-A76 VanDerWaalsContact O-CB 3.25Å; L72-A76 WeakPolarHBondContact O-CB 3.31Å; L72-A76 PolarHBondContact O-N 2.99Å |
| 73 | K | 69.5 | Low | 65.3 | Low | 153 Ų | 153 | 91.2 Ų | 91.2 | 67% | 0.665 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.4 | -48.9 | 176.5 | -83 | -178.4 | 173.3 | -175.5 | 0 | 111.3 | S69 Q70 K75 A76 W77 | S69-K73 WeakPolarHBondContact O-CB 3.3Å; S69-K73 WeakPolarHBondContact O-CG 3.27Å; S69-K73 PolarHBondContact O-N 3.35Å; Q70-K73 PolarHBondContact O-N 3.48Å; K73-K75 PolarHBondContact O-N 3.45Å; K73-A76 PolarHBondContact O-N 2.99Å; K73-W77 VanDerWaalsContact O-CB 3.31Å; K73-W77 WeakPolarHBondContact O-CB 3.4Å; K73-W77 PolarHBondContact O-N 3.32Å |
| 74 | K | 68.3 | Low | 65.9 | Low | 101 Ų | 101 | 87 Ų | 87 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.5 | -73 | 176.9 | -178.6 | 177.6 | 0 | 111.9 | Q70 W77 Y78 | Q70-K74 WeakPolarHBondContact O-CG 3.24Å; Q70-K74 PolarHBondContact O-N 3.39Å; K74-W77 WeakPolarHBondContact O-CB 3.16Å; K74-W77 PolarHBondContact O-N 2.86Å; K74-Y78 WeakPolarHBondContact O-CD2 3.39Å; K74-Y78 PolarHBondContact O-N 3.32Å |
| 75 | K | 70.3 | Confident | 66.3 | Low | 33 Ų | 33 | 88 Ų | 88 | 14% | 0.143 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.1 | -88.6 | -175.9 | -179.9 | 171.4 | 0 | 113.2 | M55 D71 L72 K73 W77 Y78 L79 | M55-K75 HydrophobicContact CE-CB 3.72Å; M55-K75 HydrophobicContact CE-CD 4.5Å; M55-K75 HydrophobicContact CG-CB 4.5Å; M55-K75 HydrophobicContact CG-CD 4Å; M55-K75 HydrophobicContact SD-CB 3.53Å; M55-K75 VanDerWaalsContact SD-CB 3.53Å; M55-K75 HydrophobicContact SD-CD 3.23Å; M55-K75 WeakPolarHBondContact SD-CD 3.3Å; M55-K75 HydrophobicContact SD-CG 4.04Å; D71-K75 WeakPolarHBondContact O-CB 3.35Å; D71-K75 PolarHBondContact O-N 3.43Å; L72-K75 PolarHBondContact O-N 3.43Å; K73-K75 PolarHBondContact O-N 3.45Å; K75-W77 VanDerWaalsContact C-N 3.27Å; K75-Y78 PolarHBondContact O-N 3.37Å; K75-L79 WeakPolarHBondContact O-CB 3.37Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 2.94Å |
| 76 | A | 71.2 | Confident | 66.7 | Low | 49 Ų | 49 | 85 Ų | 85 | 41% | 0.405 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L72 K73 L79 A80 | L72-A76 VanDerWaalsContact O-CB 3.25Å; L72-A76 WeakPolarHBondContact O-CB 3.31Å; L72-A76 PolarHBondContact O-N 2.99Å; K73-A76 PolarHBondContact O-N 2.99Å; A76-L79 PolarHBondContact O-N 3.45Å; A76-A80 VanDerWaalsContact O-CB 3.3Å; A76-A80 WeakPolarHBondContact O-CB 3.18Å; A76-A80 PolarHBondContact O-N 2.8Å |
| 77 | W | 72.7 | Confident | 67.3 | Low | 92 Ų | 92 | 75.4 Ų | 75.4 | 35% | 0.348 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 173.9 | -165.1 | -92.6 | 0 | 0 | 0 | 112.1 | K73 K74 K75 L79 A80 S81 G117 E121 | K73-W77 VanDerWaalsContact O-CB 3.31Å; K73-W77 WeakPolarHBondContact O-CB 3.4Å; K73-W77 PolarHBondContact O-N 3.32Å; K74-W77 WeakPolarHBondContact O-CB 3.16Å; K74-W77 PolarHBondContact O-N 2.86Å; K75-W77 VanDerWaalsContact C-N 3.27Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 2.97Å; W77-A80 PolarHBondContact O-N 3.23Å; W77-S81 VanDerWaalsContact O-CB 3.27Å; W77-S81 WeakPolarHBondContact O-CB 3.26Å; W77-S81 PolarHBondContact O-N 2.84Å; W77-G117 VanDerWaalsContact CH2-C 3.4Å; W77-G117 WeakPolarHBondContact CH2-O 3.5Å; W77-G117 VanDerWaalsContact CZ2-O 3.27Å; W77-G117 WeakPolarHBondContact CZ2-O 3.49Å; W77-E121 VanDerWaalsContact CE2-OE2 3.28Å; W77-E121 PolarHBondContact NE1-OE2 3.16Å; W77-E121 VanDerWaalsContact NE1-OE2 3.15Å |
| 78 | Y | 70.9 | Confident | 68 | Low | 158 Ų | 158 | 71.1 Ų | 71.1 | 62% | 0.62 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.9 | -43.1 | 173.5 | -82.8 | -65.9 | 0 | 0 | 0 | 112.2 | K74 K75 S81 M82 | K74-Y78 WeakPolarHBondContact O-CD2 3.39Å; K74-Y78 PolarHBondContact O-N 3.32Å; K75-Y78 PolarHBondContact O-N 3.37Å; Y78-S81 PolarHBondContact O-N 3.22Å; Y78-M82 VanDerWaalsContact O-CB 3.24Å; Y78-M82 WeakPolarHBondContact O-CB 3.33Å; Y78-M82 PolarHBondContact O-N 3.4Å |
| 79 | L | 67.9 | Low | 68.4 | Low | 22 Ų | 22 | 71.3 Ų | 71.3 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 175.1 | -80.7 | 167.6 | 0 | 0 | 0 | 111.7 | L48 L51 M55 K75 A76 W77 M82 L83 | L48-L79 HydrophobicContact CD1-CD2 4.03Å; L48-L79 HydrophobicContact CG-CD2 4.16Å; L51-L79 HydrophobicContact CB-CD2 3.7Å; L51-L79 HydrophobicContact CB-CG 4.23Å; L51-L79 HydrophobicContact CD1-CD2 3.92Å; L51-L79 HydrophobicContact CD1-CG 4.35Å; L51-L79 HydrophobicContact CG-CD2 4.43Å; M55-L79 HydrophobicContact CG-CD1 4.43Å; K75-L79 WeakPolarHBondContact O-CB 3.37Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 2.94Å; A76-L79 PolarHBondContact O-N 3.45Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 2.97Å; L79-M82 PolarHBondContact O-N 2.7Å; L79-L83 WeakPolarHBondContact O-CD1 3.4Å; L79-L83 PolarHBondContact O-N 3.31Å |
| 80 | A | 72.6 | Confident | 68.8 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 45% | 0.446 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A76 W77 M82 L83 L84 | A76-A80 VanDerWaalsContact O-CB 3.3Å; A76-A80 WeakPolarHBondContact O-CB 3.18Å; A76-A80 PolarHBondContact O-N 2.8Å; W77-A80 PolarHBondContact O-N 3.23Å; A80-M82 VanDerWaalsContact C-N 3.28Å; A80-M82 PolarHBondContact O-N 2.93Å; A80-L83 PolarHBondContact O-N 3.19Å; A80-L84 VanDerWaalsContact O-CB 3.3Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 3.47Å |
| 81 | S | 70.5 | Confident | 68.9 | Low | 24 Ų | 24 | 67.9 Ų | 67.9 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | W77 Y78 L84 K85 M114 | W77-S81 VanDerWaalsContact O-CB 3.27Å; W77-S81 WeakPolarHBondContact O-CB 3.26Å; W77-S81 PolarHBondContact O-N 2.84Å; Y78-S81 PolarHBondContact O-N 3.22Å; S81-L84 PolarHBondContact O-N 2.98Å; S81-K85 PolarHBondContact O-N 2.97Å; S81-M114 WeakPolarHBondContact OG-CE 3.38Å; S81-M114 PolarHBondContact OG-SD 3.42Å |
| 82 | M | 68.4 | Low | 68.9 | Low | 25 Ų | 25 | 67.1 Ų | 67.1 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.3 | -42.2 | 179.8 | -166.4 | 162.5 | 176.2 | 0 | 0 | 112.5 | D44 L47 L51 Y78 L79 A80 L84 K85 L86 | D44-M82 HydrophobicContact CB-CE 4.06Å; D44-M82 VanDerWaalsContact O-CE 3.29Å; D44-M82 WeakPolarHBondContact O-CE 3.42Å; D44-M82 VanDerWaalsContact OD1-CE 3.26Å; D44-M82 WeakPolarHBondContact OD1-CE 3.35Å; L47-M82 HydrophobicContact CB-CE 3.19Å; L47-M82 HydrophobicContact CB-SD 4.09Å; L47-M82 HydrophobicContact CD1-CE 3.75Å; L47-M82 HydrophobicContact CG-CE 4.11Å; L51-M82 HydrophobicContact CD1-SD 4.04Å; Y78-M82 VanDerWaalsContact O-CB 3.24Å; Y78-M82 WeakPolarHBondContact O-CB 3.33Å; Y78-M82 PolarHBondContact O-N 3.4Å; L79-M82 PolarHBondContact O-N 2.7Å; A80-M82 VanDerWaalsContact C-N 3.28Å; A80-M82 PolarHBondContact O-N 2.93Å; M82-L84 VanDerWaalsContact C-N 3.28Å; M82-L84 PolarHBondContact O-N 3.32Å; M82-K85 WeakPolarHBondContact O-CB 3.39Å; M82-K85 PolarHBondContact O-N 3.49Å; M82-L86 PolarHBondContact O-N 2.89Å |
| 83 | L | 67.9 | Low | 68.8 | Low | 107 Ų | 107 | 64.1 Ų | 64.1 | 56% | 0.56 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.4 | -40 | 170.7 | -103.1 | 110.2 | 0 | 0 | 0 | 111.8 | L48 L79 A80 L86 G87 | L48-L83 HydrophobicContact CD1-CD1 3.78Å; L48-L83 HydrophobicContact CD1-CG 4.43Å; L79-L83 WeakPolarHBondContact O-CD1 3.4Å; L79-L83 PolarHBondContact O-N 3.31Å; A80-L83 PolarHBondContact O-N 3.19Å; L83-L86 WeakPolarHBondContact O-CB 3.11Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-G87 PolarHBondContact O-N 3.27Å |
| 84 | L | 68.6 | Low | 68.5 | Low | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | -179.3 | -146.4 | 62.9 | 0 | 0 | 0 | 111.4 | A80 S81 M82 G87 F88 P110 C113 M114 | A80-L84 VanDerWaalsContact O-CB 3.3Å; A80-L84 WeakPolarHBondContact O-CB 3.34Å; A80-L84 PolarHBondContact O-N 3.47Å; S81-L84 PolarHBondContact O-N 2.98Å; M82-L84 VanDerWaalsContact C-N 3.28Å; M82-L84 PolarHBondContact O-N 3.32Å; L84-G87 PolarHBondContact O-N 3.5Å; L84-F88 PolarHBondContact O-N 3.06Å; L84-P110 HydrophobicContact CD1-CB 3.94Å; L84-P110 WeakPolarHBondContact CD2-O 3.14Å; L84-P110 HydrophobicContact CG-CB 3.7Å; L84-P110 WeakPolarHBondContact CG-O 3.45Å; L84-C113 HydrophobicContact CD2-CB 4.25Å; L84-M114 HydrophobicContact CD2-CB 3.76Å; L84-M114 HydrophobicContact CD2-CG 3.92Å |
| 85 | K | 70.8 | Confident | 68.3 | Low | 137 Ų | 137 | 56.9 Ų | 56.9 | 60% | 0.596 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.7 | -46.1 | 170.1 | -122.5 | -170.9 | -178.6 | -167.3 | 0 | 111.8 | S81 M82 F88 C89 | S81-K85 PolarHBondContact O-N 2.97Å; M82-K85 WeakPolarHBondContact O-CB 3.39Å; M82-K85 PolarHBondContact O-N 3.49Å; K85-F88 WeakPolarHBondContact O-CB 3.25Å; K85-F88 PolarHBondContact O-N 3.25Å; K85-C89 PolarHBondContact O-N 3.35Å |
| 86 | L | 66.3 | Low | 67.9 | Low | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 174 | -88.5 | 161.9 | 0 | 0 | 0 | 111.2 | D44 M82 L83 F88 C89 L90 | D44-L86 HydrophobicContact CB-CD1 4.12Å; D44-L86 HydrophobicContact CB-CD2 3.86Å; D44-L86 HydrophobicContact CB-CG 4.1Å; M82-L86 PolarHBondContact O-N 2.89Å; L83-L86 WeakPolarHBondContact O-CB 3.11Å; L83-L86 PolarHBondContact O-N 3.35Å; L86-F88 VanDerWaalsContact C-N 3.33Å; L86-F88 PolarHBondContact O-N 3.43Å; L86-C89 PolarHBondContact O-N 3.37Å; L86-C89 VanDerWaalsContact O-N 3.16Å; L86-L90 WeakPolarHBondContact O-CD1 3.49Å; L86-L90 PolarHBondContact O-N 2.9Å |
| 87 | G | 69.1 | Low | 67.6 | Low | 29 Ų | 29 | 59.5 Ų | 59.5 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L83 L84 T91 | L83-G87 PolarHBondContact O-N 3.27Å; L84-G87 PolarHBondContact O-N 3.5Å; G87-T91 WeakPolarHBondContact O-CB 3.37Å; G87-T91 PolarHBondContact O-N 3.35Å; G87-T91 PolarHBondContact O-OG1 3.41Å |
| 88 | F | 70.2 | Confident | 67 | Low | 53 Ų | 53 | 64.6 Ų | 64.6 | 23% | 0.232 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 171.8 | 178.2 | -96.6 | 0 | 0 | 0 | 111.4 | L84 K85 L86 L90 T91 L92 V107 L111 | L84-F88 PolarHBondContact O-N 3.06Å; K85-F88 WeakPolarHBondContact O-CB 3.25Å; K85-F88 PolarHBondContact O-N 3.25Å; L86-F88 VanDerWaalsContact C-N 3.33Å; L86-F88 PolarHBondContact O-N 3.43Å; F88-L90 PolarHBondContact O-N 2.8Å; F88-T91 PolarHBondContact O-N 2.89Å; F88-L92 HydrophobicContact CE1-CD1 3.73Å; F88-L92 HydrophobicContact CE2-CD1 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.55Å; F88-L92 WeakPolarHBondContact O-CB 3.44Å; F88-L92 PolarHBondContact O-N 3.34Å; F88-V107 HydrophobicContact CD2-CG1 4.17Å; F88-V107 WeakPolarHBondContact CD2-O 3.31Å; F88-V107 HydrophobicContact CE2-CG1 3.8Å; F88-V107 WeakPolarHBondContact CE2-O 3.21Å; F88-V107 HydrophobicContact CZ-CG1 4.43Å; F88-L111 HydrophobicContact CD2-CD1 4.36Å; F88-L111 HydrophobicContact CE2-CD1 4.11Å; F88-L111 HydrophobicContact CZ-CD1 4.35Å |
| 89 | C | 66.8 | Low | 65.9 | Low | 35 Ų | 35 | 63.2 Ų | 63.2 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 177.3 | -74.8 | 0 | 0 | 0 | 0 | 112.1 | F37 K85 L86 T91 L92 C93 | F37-C89 HydrophobicContact CD1-CB 4.42Å; F37-C89 HydrophobicContact CE1-CB 4.19Å; K85-C89 PolarHBondContact O-N 3.35Å; L86-C89 PolarHBondContact O-N 3.37Å; L86-C89 VanDerWaalsContact O-N 3.16Å; C89-T91 VanDerWaalsContact C-N 3.34Å; C89-T91 PolarHBondContact O-N 3.44Å; C89-L92 WeakPolarHBondContact O-CB 3.47Å; C89-L92 PolarHBondContact O-N 3.49Å; C89-C93 PolarHBondContact O-N 2.85Å; C89-C93 PolarHBondContact O-SG 2.89Å |
| 90 | L | 66 | Low | 64.8 | Low | 75 Ų | 75 | 65.4 Ų | 65.4 | 39% | 0.393 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 175.1 | -97.5 | 91 | 0 | 0 | 0 | 112.3 | W41 L86 F88 L92 C93 A94 | W41-L90 HydrophobicContact CH2-CD1 3.35Å; W41-L90 HydrophobicContact CH2-CD2 3.98Å; W41-L90 HydrophobicContact CH2-CG 3.82Å; W41-L90 HydrophobicContact CZ2-CD1 3.28Å; W41-L90 HydrophobicContact CZ2-CD2 4.18Å; W41-L90 HydrophobicContact CZ2-CG 3.58Å; W41-L90 HydrophobicContact CZ3-CD1 4.24Å; L86-L90 WeakPolarHBondContact O-CD1 3.49Å; L86-L90 PolarHBondContact O-N 2.9Å; F88-L90 PolarHBondContact O-N 2.8Å; L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 PolarHBondContact O-N 3.49Å; L90-C93 WeakPolarHBondContact O-CB 3.47Å; L90-C93 PolarHBondContact O-N 2.84Å; L90-A94 PolarHBondContact O-N 2.97Å |
| 91 | T | 64.9 | Low | 63.9 | Low | 52 Ų | 52 | 72 Ų | 72 | 32% | 0.319 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | -178.4 | -52.2 | 0 | 0 | 0 | 0 | 109.9 | G87 F88 C89 A94 R95 V107 | G87-T91 WeakPolarHBondContact O-CB 3.37Å; G87-T91 PolarHBondContact O-N 3.35Å; G87-T91 PolarHBondContact O-OG1 3.41Å; F88-T91 PolarHBondContact O-N 2.89Å; C89-T91 VanDerWaalsContact C-N 3.34Å; C89-T91 PolarHBondContact O-N 3.44Å; T91-A94 PolarHBondContact O-N 2.99Å; T91-R95 WeakPolarHBondContact O-CB 3.29Å; T91-R95 WeakPolarHBondContact O-CG 3.32Å; T91-R95 PolarHBondContact O-N 2.88Å; T91-R95 VanDerWaalsContact O-N 3.08Å; T91-V107 HydrophobicContact CG2-CB 4.48Å; T91-V107 HydrophobicContact CG2-CG1 4.31Å; T91-V107 HydrophobicContact CG2-CG2 4.17Å |
| 92 | L | 67.8 | Low | 63 | Low | 52 Ų | 52 | 74.4 Ų | 74.4 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 173.1 | -145.1 | 109.9 | 0 | 0 | 0 | 110.9 | F88 C89 L90 R95 L96 V107 | F88-L92 HydrophobicContact CE1-CD1 3.73Å; F88-L92 HydrophobicContact CE2-CD1 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.55Å; F88-L92 WeakPolarHBondContact O-CB 3.44Å; F88-L92 PolarHBondContact O-N 3.34Å; C89-L92 WeakPolarHBondContact O-CB 3.47Å; C89-L92 PolarHBondContact O-N 3.49Å; L90-L92 VanDerWaalsContact C-N 3.3Å; L90-L92 PolarHBondContact O-N 3.49Å; L92-R95 PolarHBondContact O-N 3.43Å; L92-L96 HydrophobicContact CD2-CD1 3.78Å; L92-L96 HydrophobicContact CG-CD1 3.89Å; L92-L96 WeakPolarHBondContact O-CD1 3.45Å; L92-L96 PolarHBondContact O-N 3.24Å; L92-V107 HydrophobicContact CD1-CG1 3.89Å |
| 93 | C | 64.8 | Low | 62.4 | Low | 9 Ų | 9 | 80.8 Ų | 80.8 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.3 | -52 | 174.9 | -64.6 | 0 | 0 | 0 | 0 | 112 | F37 C89 L90 R95 L96 E97 | F37-C93 WeakPolarHBondContact CD2-SG 3.21Å; F37-C93 WeakPolarHBondContact CE2-SG 3.44Å; F37-C93 VanDerWaalsContact CG-SG 3.52Å; F37-C93 VanDerWaalsContact CZ-SG 3.51Å; C89-C93 PolarHBondContact O-N 2.85Å; C89-C93 PolarHBondContact O-SG 2.89Å; L90-C93 WeakPolarHBondContact O-CB 3.47Å; L90-C93 PolarHBondContact O-N 2.84Å; C93-R95 PolarHBondContact O-N 3.07Å; C93-L96 PolarHBondContact O-N 3.36Å; C93-L96 VanDerWaalsContact O-N 3.13Å; C93-E97 PolarHBondContact O-N 2.73Å |
| 94 | A | 62.4 | Low | 61.8 | Low | 45 Ų | 45 | 82.4 Ų | 82.4 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.4 | -31.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L90 T91 | L90-A94 PolarHBondContact O-N 2.97Å; T91-A94 PolarHBondContact O-N 2.99Å |
| 95 | R | 64.3 | Low | 61.1 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 21% | 0.211 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -77.3 | -40.4 | 175.2 | -66.9 | -63.6 | -65.6 | -79.5 | -5.9 | 113 | T91 L92 C93 E97 K98 T100 I102 K103 V107 | T91-R95 WeakPolarHBondContact O-CB 3.29Å; T91-R95 WeakPolarHBondContact O-CG 3.32Å; T91-R95 PolarHBondContact O-N 2.88Å; T91-R95 VanDerWaalsContact O-N 3.08Å; L92-R95 PolarHBondContact O-N 3.43Å; C93-R95 PolarHBondContact O-N 3.07Å; R95-E97 VanDerWaalsContact C-N 3.29Å; R95-E97 PolarHBondContact O-N 3.36Å; R95-K98 PolarHBondContact O-N 2.97Å; R95-K98 VanDerWaalsContact O-N 3.13Å; R95-T100 PolarHBondContact NE-O 3.15Å; R95-I102 VanDerWaalsContact CZ-N 3.34Å; R95-I102 VanDerWaalsContact NH1-CA 3.34Å; R95-I102 PolarHBondContact NH1-O 3.02Å; R95-K103 PolarHBondContact NH1-O 2.68Å; R95-V107 HydrophobicContact CG-CG2 3.96Å |
| 96 | L | 62 | Low | 60.5 | Low | 58 Ų | 58 | 84.3 Ų | 84.3 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.4 | -26.8 | 176.8 | -90.6 | 86.5 | 0 | 0 | 0 | 112.7 | L25 W33 L92 C93 K98 | L25-L96 HydrophobicContact CD1-CD2 4.37Å; W33-L96 HydrophobicContact CD2-CB 3.88Å; W33-L96 HydrophobicContact CD2-CD2 4.46Å; W33-L96 HydrophobicContact CE3-CB 4.16Å; W33-L96 HydrophobicContact CE3-CD2 3.99Å; W33-L96 HydrophobicContact CG-CB 4.45Å; W33-L96 HydrophobicContact CH2-CB 4.18Å; W33-L96 HydrophobicContact CH2-CD2 3.26Å; W33-L96 HydrophobicContact CH2-CG 4.27Å; W33-L96 HydrophobicContact CZ2-CB 3.85Å; W33-L96 HydrophobicContact CZ2-CD2 3.76Å; W33-L96 HydrophobicContact CZ2-CG 4.32Å; W33-L96 HydrophobicContact CZ3-CB 4.31Å; W33-L96 HydrophobicContact CZ3-CD2 3.37Å; W33-L96 HydrophobicContact CZ3-CG 4.46Å; W33-L96 PolarHBondContact NE1-O 2.99Å; W33-L96 VanDerWaalsContact NE1-O 3.12Å; L92-L96 HydrophobicContact CD2-CD1 3.78Å; L92-L96 HydrophobicContact CG-CD1 3.89Å; L92-L96 WeakPolarHBondContact O-CD1 3.45Å; L92-L96 PolarHBondContact O-N 3.24Å; C93-L96 PolarHBondContact O-N 3.36Å; C93-L96 VanDerWaalsContact O-N 3.13Å; L96-K98 PolarHBondContact O-N 3.46Å; L96-K98 VanDerWaalsContact O-N 3.09Å |
| 97 | E | 64.3 | Low | 60.2 | Low | 80 Ų | 80 | 83.2 Ų | 83.2 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 2.2 | 170.9 | -153.6 | 174.9 | 163.6 | 0 | 0 | 113 | N32 W33 C93 R95 L99 | N32-E97 VanDerWaalsContact OD1-CD 3.27Å; N32-E97 PolarHBondContact OD1-OE1 3Å; N32-E97 VanDerWaalsContact OD1-OE1 3.11Å; N32-E97 PolarHBondContact OD1-OE2 3.09Å; W33-E97 VanDerWaalsContact CD1-CA 3.47Å; W33-E97 HydrophobicContact CG-CB 4.48Å; C93-E97 PolarHBondContact O-N 2.73Å; R95-E97 VanDerWaalsContact C-N 3.29Å; R95-E97 PolarHBondContact O-N 3.36Å; E97-L99 HydrophobicContact CB-CD1 4.17Å; E97-L99 HydrophobicContact CG-CD1 3.75Å; E97-L99 PolarHBondContact O-N 3.21Å |
| 98 | K | 59.7 | Low | 59.8 | Low | 199 Ų | 199 | 83.8 Ų | 83.8 | 87% | 0.865 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 13.4 | 174.7 | -109.2 | -173.3 | -175.4 | -179.6 | 0 | 114.9 | R95 L96 T100 | R95-K98 PolarHBondContact O-N 2.97Å; R95-K98 VanDerWaalsContact O-N 3.13Å; L96-K98 PolarHBondContact O-N 3.46Å; L96-K98 VanDerWaalsContact O-N 3.09Å; K98-T100 VanDerWaalsContact C-N 3.32Å; K98-T100 PolarHBondContact O-N 2.96Å |
| 99 | L | 48.1 | Very low | 59.7 | Low | 129 Ų | 129 | 84.9 Ų | 84.9 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | trans | -77.8 | -7.3 | 179 | -90.8 | 125.9 | 0 | 0 | 0 | 114.2 | E97 | E97-L99 HydrophobicContact CB-CD1 4.17Å; E97-L99 HydrophobicContact CG-CD1 3.75Å; E97-L99 PolarHBondContact O-N 3.21Å | ||
| 100 | T | 46.1 | Very low | 59.4 | Low | 68 Ų | 68 | 84.3 Ų | 84.3 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | trans | -154.1 | 129 | -178.6 | 0.8 | 0 | 0 | 0 | 0 | 116 | R95 K98 I102 | R95-T100 PolarHBondContact NE-O 3.15Å; K98-T100 VanDerWaalsContact C-N 3.32Å; K98-T100 PolarHBondContact O-N 2.96Å; T100-I102 HydrophobicContact CG2-CD1 3.39Å; T100-I102 HydrophobicContact CG2-CG1 3.7Å; T100-I102 PolarHBondContact O-N 3.46Å | ||
| 101 | H | 52.1 | Low | 59.2 | Low | 193 Ų | 193 | 84.7 Ų | 84.7 | 89% | 0.894 | 43% | 0.432 | S | S | * | . | trans | -76 | 48.2 | 177.7 | -163.5 | -86.6 | 0 | 0 | 0 | 112.9 | K103 | H101-K103 PolarHBondContact O-N 3.41Š| ||
| 102 | I | 53.3 | Low | 59.1 | Low | 74 Ų | 74 | 90.6 Ų | 90.6 | 38% | 0.379 | 45% | 0.448 | S | S | . | . | trans | -89.8 | 19.9 | -162.3 | -75.1 | 176.8 | 0 | 0 | 0 | 116.9 | R95 T100 F106 | R95-I102 VanDerWaalsContact CZ-N 3.34Å; R95-I102 VanDerWaalsContact NH1-CA 3.34Å; R95-I102 PolarHBondContact NH1-O 3.02Å; T100-I102 HydrophobicContact CG2-CD1 3.39Å; T100-I102 HydrophobicContact CG2-CG1 3.7Å; T100-I102 PolarHBondContact O-N 3.46Å; I102-F106 HydrophobicContact CG2-CB 3.86Å; I102-F106 HydrophobicContact CG2-CG 4.43Å | ||
| 103 | K | 54.6 | Low | 59.1 | Low | 158 Ų | 158 | 91.7 Ų | 91.7 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | 51.5 | 138.8 | -175.7 | -72 | 178.1 | 177.7 | 170.4 | 0 | 117.7 | R95 H101 T105 F106 | R95-K103 PolarHBondContact NH1-O 2.68Å; H101-K103 PolarHBondContact O-N 3.41Å; K103-T105 PolarHBondContact O-N 2.92Å; K103-F106 PolarHBondContact O-N 3.29Å |
| 104 | L | 55 | Low | 59 | Low | 141 Ų | 141 | 94.4 Ų | 94.4 | 74% | 0.738 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62 | -26.8 | -179.2 | -88.7 | 151.4 | 0 | 0 | 0 | 113.2 | F106 V107 C108 | L104-F106 PolarHBondContact O-N 3.37Å; L104-V107 WeakPolarHBondContact O-CB 3.39Å; L104-V107 PolarHBondContact O-N 3.02Å; L104-C108 PolarHBondContact O-N 3.26Å |
| 105 | T | 54.6 | Low | 59.3 | Low | 106 Ų | 106 | 97.8 Ų | 97.8 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.5 | -38.5 | -178.4 | -43.1 | 0 | 0 | 0 | 0 | 113.5 | K103 V107 C108 | K103-T105 PolarHBondContact O-N 2.92Å; T105-V107 VanDerWaalsContact C-N 3.33Å; T105-V107 PolarHBondContact O-N 2.9Å; T105-C108 PolarHBondContact O-N 3.28Å |
| 106 | F | 59 | Low | 59.8 | Low | 131 Ų | 131 | 100.6 Ų | 100.6 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.2 | -30 | 179.3 | -91.4 | -90.7 | 0 | 0 | 0 | 112.8 | I102 K103 L104 C108 I109 | I102-F106 HydrophobicContact CG2-CB 3.86Å; I102-F106 HydrophobicContact CG2-CG 4.43Å; K103-F106 PolarHBondContact O-N 3.29Å; L104-F106 PolarHBondContact O-N 3.37Å; F106-C108 VanDerWaalsContact C-N 3.26Å; F106-C108 PolarHBondContact O-N 3.4Å; F106-I109 HydrophobicContact CB-CD1 4.19Å; F106-I109 HydrophobicContact CD1-CD1 3.28Å; F106-I109 HydrophobicContact CE1-CD1 3.73Å; F106-I109 HydrophobicContact CG-CD1 3.85Å; F106-I109 WeakPolarHBondContact O-CB 3.48Å; F106-I109 WeakPolarHBondContact O-CG1 3.23Å; F106-I109 PolarHBondContact O-N 2.88Å |
| 107 | V | 59.9 | Low | 60.3 | Low | 5 Ų | 5 | 98.5 Ų | 98.5 | 3% | 0.03 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -69 | -30.1 | 178 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | F88 T91 L92 R95 L104 T105 P110 | F88-V107 HydrophobicContact CD2-CG1 4.17Å; F88-V107 WeakPolarHBondContact CD2-O 3.31Å; F88-V107 HydrophobicContact CE2-CG1 3.8Å; F88-V107 WeakPolarHBondContact CE2-O 3.21Å; F88-V107 HydrophobicContact CZ-CG1 4.43Å; T91-V107 HydrophobicContact CG2-CB 4.48Å; T91-V107 HydrophobicContact CG2-CG1 4.31Å; T91-V107 HydrophobicContact CG2-CG2 4.17Å; L92-V107 HydrophobicContact CD1-CG1 3.89Å; R95-V107 HydrophobicContact CG-CG2 3.96Å; L104-V107 WeakPolarHBondContact O-CB 3.39Å; L104-V107 PolarHBondContact O-N 3.02Å; T105-V107 VanDerWaalsContact C-N 3.33Å; T105-V107 PolarHBondContact O-N 2.9Å; V107-P110 VanDerWaalsContact O-CD 3.24Å; V107-P110 WeakPolarHBondContact O-CD 3.49Å |
| 108 | C | 59.5 | Low | 60.4 | Low | 40 Ų | 40 | 96.3 Ų | 96.3 | 27% | 0.27 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -81.7 | -12.6 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 113.9 | L104 T105 F106 L111 W112 | L104-C108 PolarHBondContact O-N 3.26Å; T105-C108 PolarHBondContact O-N 3.28Å; F106-C108 VanDerWaalsContact C-N 3.26Å; F106-C108 PolarHBondContact O-N 3.4Å; C108-L111 WeakPolarHBondContact O-CA 3.23Å; C108-L111 VanDerWaalsContact O-CB 3.25Å; C108-L111 WeakPolarHBondContact O-CB 3.44Å; C108-L111 PolarHBondContact O-N 2.98Å; C108-W112 PolarHBondContact O-N 3.35Å |
| 109 | I | 68.1 | Low | 61.1 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 40% | 0.395 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -50.5 | -45.8 | -178.7 | -66.6 | 173.1 | 0 | 0 | 0 | 113.8 | F106 L111 W112 C113 | F106-I109 HydrophobicContact CB-CD1 4.19Å; F106-I109 HydrophobicContact CD1-CD1 3.28Å; F106-I109 HydrophobicContact CE1-CD1 3.73Å; F106-I109 HydrophobicContact CG-CD1 3.85Å; F106-I109 WeakPolarHBondContact O-CB 3.48Å; F106-I109 WeakPolarHBondContact O-CG1 3.23Å; F106-I109 PolarHBondContact O-N 2.88Å; I109-L111 PolarHBondContact O-N 3.39Å; I109-W112 PolarHBondContact O-N 2.88Å; I109-C113 PolarHBondContact O-N 3.33Å |
| 110 | P | 60.8 | Low | 62.2 | Low | 22 Ų | 22 | 91 Ų | 91 | 14% | 0.143 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.1 | -14 | 26.6 | 0 | 0 | 0 | 111.4 | L84 V107 C113 M114 | L84-P110 HydrophobicContact CD1-CB 3.94Å; L84-P110 WeakPolarHBondContact CD2-O 3.14Å; L84-P110 HydrophobicContact CG-CB 3.7Å; L84-P110 WeakPolarHBondContact CG-O 3.45Å; V107-P110 VanDerWaalsContact O-CD 3.24Å; V107-P110 WeakPolarHBondContact O-CD 3.49Å; P110-C113 PolarHBondContact O-N 3.22Å; P110-M114 PolarHBondContact O-N 3.29Å |
| 111 | L | 62.6 | Low | 63.3 | Low | 83 Ų | 83 | 91 Ų | 91 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.6 | -39.6 | -179.4 | -149.5 | 156.1 | 0 | 0 | 0 | 111.2 | F88 C108 I109 M114 L115 | F88-L111 HydrophobicContact CD2-CD1 4.36Å; F88-L111 HydrophobicContact CE2-CD1 4.11Å; F88-L111 HydrophobicContact CZ-CD1 4.35Å; C108-L111 WeakPolarHBondContact O-CA 3.23Å; C108-L111 VanDerWaalsContact O-CB 3.25Å; C108-L111 WeakPolarHBondContact O-CB 3.44Å; C108-L111 PolarHBondContact O-N 2.98Å; I109-L111 PolarHBondContact O-N 3.39Å; L111-M114 WeakPolarHBondContact O-CB 3.28Å; L111-M114 PolarHBondContact O-N 2.87Å; L111-L115 PolarHBondContact O-N 3.1Å |
| 112 | W | 63.2 | Low | 64 | Low | 177 Ų | 177 | 86.8 Ų | 86.8 | 67% | 0.67 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 175.6 | -74.2 | 57.5 | 0 | 0 | 0 | 111.7 | C108 I109 M114 L115 L116 | C108-W112 PolarHBondContact O-N 3.35Å; I109-W112 PolarHBondContact O-N 2.88Å; W112-M114 VanDerWaalsContact C-N 3.3Å; W112-M114 PolarHBondContact O-N 2.89Å; W112-L115 PolarHBondContact O-N 3.41Å; W112-L116 WeakPolarHBondContact O-CB 3.49Å; W112-L116 WeakPolarHBondContact O-CG 3.37Å; W112-L116 PolarHBondContact O-N 3.29Å |
| 113 | C | 66.3 | Low | 64.9 | Low | 74 Ų | 74 | 84.8 Ų | 84.8 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 171.2 | -75.3 | 0 | 0 | 0 | 0 | 112 | L84 I109 P110 G117 | L84-C113 HydrophobicContact CD2-CB 4.25Å; I109-C113 PolarHBondContact O-N 3.33Å; P110-C113 PolarHBondContact O-N 3.22Å; C113-G117 PolarHBondContact O-N 3.27Å |
| 114 | M | 64.3 | Low | 65.4 | Low | 66 Ų | 66 | 86.1 Ų | 86.1 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 176.1 | -141.9 | -176.1 | 111.4 | 0 | 0 | 111.9 | S81 L84 P110 L111 W112 G117 A118 | S81-M114 WeakPolarHBondContact OG-CE 3.38Å; S81-M114 PolarHBondContact OG-SD 3.42Å; L84-M114 HydrophobicContact CD2-CB 3.76Å; L84-M114 HydrophobicContact CD2-CG 3.92Å; P110-M114 PolarHBondContact O-N 3.29Å; L111-M114 WeakPolarHBondContact O-CB 3.28Å; L111-M114 PolarHBondContact O-N 2.87Å; W112-M114 VanDerWaalsContact C-N 3.3Å; W112-M114 PolarHBondContact O-N 2.89Å; M114-G117 PolarHBondContact O-N 3.15Å; M114-A118 WeakPolarHBondContact O-CB 3.38Å; M114-A118 PolarHBondContact O-N 3.31Å |
| 115 | L | 67.6 | Low | 65.9 | Low | 116 Ų | 116 | 84.4 Ų | 84.4 | 61% | 0.607 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.9 | -44.5 | -178.6 | -149.8 | 93.7 | 0 | 0 | 0 | 111.2 | L111 W112 A118 M119 | L111-L115 PolarHBondContact O-N 3.1Å; W112-L115 PolarHBondContact O-N 3.41Å; L115-A118 PolarHBondContact O-N 2.86Å; L115-M119 WeakPolarHBondContact O-CB 3.3Å; L115-M119 PolarHBondContact O-N 3.33Å |
| 116 | L | 75.2 | Confident | 66.5 | Low | 115 Ų | 115 | 84.8 Ų | 84.8 | 60% | 0.602 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 175.9 | -73.9 | 173.4 | 0 | 0 | 0 | 111.3 | W112 A118 M119 V120 | W112-L116 WeakPolarHBondContact O-CB 3.49Å; W112-L116 WeakPolarHBondContact O-CG 3.37Å; W112-L116 PolarHBondContact O-N 3.29Å; L116-A118 PolarHBondContact O-N 2.82Å; L116-M119 PolarHBondContact O-N 3.19Å; L116-V120 VanDerWaalsContact O-CG2 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 3.22Å |
| 117 | G | 71.6 | Confident | 66.6 | Low | 14 Ų | 14 | 86 Ų | 86 | 14% | 0.144 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W77 C113 M114 M119 V120 E121 | W77-G117 VanDerWaalsContact CH2-C 3.4Å; W77-G117 WeakPolarHBondContact CH2-O 3.5Å; W77-G117 VanDerWaalsContact CZ2-O 3.27Å; W77-G117 WeakPolarHBondContact CZ2-O 3.49Å; C113-G117 PolarHBondContact O-N 3.27Å; M114-G117 PolarHBondContact O-N 3.15Å; G117-M119 VanDerWaalsContact C-N 3.34Å; G117-M119 PolarHBondContact O-N 2.99Å; G117-V120 PolarHBondContact O-N 3.49Å; G117-E121 PolarHBondContact O-N 3.43Å |
| 118 | A | 67.7 | Low | 66.3 | Low | 35 Ų | 35 | 89.8 Ų | 89.8 | 29% | 0.289 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | M114 L115 L116 E121 L122 | M114-A118 WeakPolarHBondContact O-CB 3.38Å; M114-A118 PolarHBondContact O-N 3.31Å; L115-A118 PolarHBondContact O-N 2.86Å; L116-A118 PolarHBondContact O-N 2.82Å; A118-E121 PolarHBondContact O-N 3.22Å; A118-L122 WeakPolarHBondContact O-CB 3.31Å; A118-L122 PolarHBondContact O-N 3.5Å |
| 119 | M | 73.1 | Confident | 66 | Low | 137 Ų | 137 | 96.7 Ų | 96.7 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 172.4 | -91.8 | -83 | 161.6 | 0 | 0 | 112.2 | L115 L116 G117 G123 | L115-M119 WeakPolarHBondContact O-CB 3.3Å; L115-M119 PolarHBondContact O-N 3.33Å; L116-M119 PolarHBondContact O-N 3.19Å; G117-M119 VanDerWaalsContact C-N 3.34Å; G117-M119 PolarHBondContact O-N 2.99Å; M119-G123 PolarHBondContact O-N 3.39Å |
| 120 | V | 72.8 | Confident | 65.1 | Low | 80 Ų | 80 | 103.3 Ų | 103.3 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L116 G117 G123 Y124 | L116-V120 VanDerWaalsContact O-CG2 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 3.22Å; G117-V120 PolarHBondContact O-N 3.49Å; V120-G123 PolarHBondContact O-N 3.38Å; V120-Y124 HydrophobicContact CG1-CD2 3.62Å; V120-Y124 HydrophobicContact CG1-CE2 3.5Å; V120-Y124 VanDerWaalsContact CG1-CE2 3.5Å; V120-Y124 WeakPolarHBondContact O-CD2 3.42Å; V120-Y124 PolarHBondContact O-N 3.37Å |
| 121 | E | 68.2 | Low | 64.6 | Low | 66 Ų | 66 | 113.3 Ų | 113.3 | 31% | 0.308 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -39.6 | -179.9 | -155.5 | 175.3 | -155.8 | 0 | 0 | 112.5 | W77 G117 A118 Y124 N125 | W77-E121 VanDerWaalsContact CE2-OE2 3.28Å; W77-E121 PolarHBondContact NE1-OE2 3.16Å; W77-E121 VanDerWaalsContact NE1-OE2 3.15Å; G117-E121 PolarHBondContact O-N 3.43Å; A118-E121 PolarHBondContact O-N 3.22Å; E121-Y124 PolarHBondContact O-N 3Å; E121-N125 WeakPolarHBondContact O-CB 3.28Å; E121-N125 PolarHBondContact O-N 2.85Å |
| 122 | L | 67.1 | Low | 64.1 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.9 | -43 | 170.9 | -97.9 | 144.8 | 0 | 0 | 0 | 112 | A118 N125 I126 | A118-L122 WeakPolarHBondContact O-CB 3.31Å; A118-L122 PolarHBondContact O-N 3.5Å; L122-N125 PolarHBondContact O-N 3.4Å; L122-I126 HydrophobicContact CD2-CD1 3.95Å; L122-I126 WeakPolarHBondContact O-CB 3.23Å; L122-I126 WeakPolarHBondContact O-CG1 3.27Å; L122-I126 PolarHBondContact O-N 3.44Å |
| 123 | G | 71.3 | Confident | 62.9 | Low | 32 Ų | 32 | 117.9 Ų | 117.9 | 33% | 0.33 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59 | -47.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M119 V120 N125 F127 | M119-G123 PolarHBondContact O-N 3.39Å; V120-G123 PolarHBondContact O-N 3.38Å; G123-N125 VanDerWaalsContact C-N 3.33Å; G123-N125 PolarHBondContact O-N 3.05Å; G123-F127 WeakPolarHBondContact O-CB 3.39Å; G123-F127 WeakPolarHBondContact O-CD2 3.36Å; G123-F127 PolarHBondContact O-N 3.24Å |
| 124 | Y | 66.5 | Low | 62.8 | Low | 186 Ų | 186 | 120.1 Ų | 120.1 | 73% | 0.729 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.4 | -30.8 | 177.5 | -84 | -69.6 | 0 | 0 | 0 | 113.8 | V120 E121 P128 | V120-Y124 HydrophobicContact CG1-CD2 3.62Å; V120-Y124 HydrophobicContact CG1-CE2 3.5Å; V120-Y124 VanDerWaalsContact CG1-CE2 3.5Å; V120-Y124 WeakPolarHBondContact O-CD2 3.42Å; V120-Y124 PolarHBondContact O-N 3.37Å; E121-Y124 PolarHBondContact O-N 3Å; Y124-P128 WeakPolarHBondContact O-CD 3.49Å |
| 125 | N | 64.6 | Low | 62.7 | Low | 104 Ų | 104 | 122.9 Ų | 122.9 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -85.7 | -21.5 | -178 | -159.8 | 79.7 | 0 | 0 | 0 | 113.6 | E121 L122 G123 P128 | E121-N125 WeakPolarHBondContact O-CB 3.28Å; E121-N125 PolarHBondContact O-N 2.85Å; L122-N125 PolarHBondContact O-N 3.4Å; G123-N125 VanDerWaalsContact C-N 3.33Å; G123-N125 PolarHBondContact O-N 3.05Å; N125-P128 WeakPolarHBondContact O-CD 3.16Å |
| 126 | I | 67.6 | Low | 62.4 | Low | 114 Ų | 114 | 123.3 Ų | 123.3 | 59% | 0.585 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -88.8 | -30 | 176.9 | -72.8 | 171.9 | 0 | 0 | 0 | 112.2 | L122 | L122-I126 HydrophobicContact CD2-CD1 3.95Å; L122-I126 WeakPolarHBondContact O-CB 3.23Å; L122-I126 WeakPolarHBondContact O-CG1 3.27Å; L122-I126 PolarHBondContact O-N 3.44Å |
| 127 | F | 60.6 | Low | 61.7 | Low | 157 Ų | 157 | 123.8 Ų | 123.8 | 69% | 0.689 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -79.6 | -6.7 | -179.9 | -91.5 | -89.3 | 0 | 0 | 0 | 119.3 | G123 E129 | G123-F127 WeakPolarHBondContact O-CB 3.39Å; G123-F127 WeakPolarHBondContact O-CD2 3.36Å; G123-F127 PolarHBondContact O-N 3.24Å; F127-E129 VanDerWaalsContact C-N 3.28Å; F127-E129 PolarHBondContact O-N 3.29Å |
| 128 | P | 53.8 | Low | 61.1 | Low | 84 Ų | 84 | 130.7 Ų | 130.7 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -71 | -23.8 | 177 | 9.1 | 0.7 | 0 | 0 | 0 | 112.9 | Y124 N125 R130 | Y124-P128 WeakPolarHBondContact O-CD 3.49Å; N125-P128 WeakPolarHBondContact O-CD 3.16Å; P128-R130 PolarHBondContact O-N 3.44Å; P128-R130 VanDerWaalsContact O-N 3.16Å |
| 129 | E | 52.4 | Low | 60.6 | Low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -75.4 | -1.7 | -173.7 | -155 | 117.7 | 92.9 | 0 | 0 | 114.2 | F127 | F127-E129 VanDerWaalsContact C-N 3.28Å; F127-E129 PolarHBondContact O-N 3.29Å |
| 130 | R | 50.5 | Low | 59.7 | Low | 216 Ų | 216 | 137.1 Ų | 137.1 | 82% | 0.815 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -113.9 | 23.4 | 179.8 | -155.3 | -166.6 | -101 | -116.9 | -2.5 | 113.7 | P128 | P128-R130 PolarHBondContact O-N 3.44Å; P128-R130 VanDerWaalsContact O-N 3.16Å |
| 131 | R | 50.3 | Low | 58.7 | Low | 232 Ų | 232 | 141.5 Ų | 141.5 | 88% | 0.875 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -112 | 6.8 | 173.6 | -129 | -179.2 | -151.1 | -124.7 | 3.5 | 114.5 | ||
| 132 | E | 51 | Low | 57.9 | Low | 196 Ų | 196 | 147.8 Ų | 147.8 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | -125.8 | 24.6 | 177.9 | -58 | -160.4 | 179.1 | 0 | 0 | 113.9 | ||||
| 133 | A | 39.4 | Very low | 57.1 | Low | 161 Ų | 161 | 151.5 Ų | 151.5 | 100% | 1.331 | 75% | 0.749 | S | S | * | * | trans | -119.8 | 0 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 133 of 133 residues in 145.1 ms
(Link to these results)