| 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 | 79.7 | Confident | 73.7 | Confident | 213 Ų | 213 | 131.7 Ų | 131.7 | 100% | 1.049 | 58% | 0.581 | S | S | * | * | 0 | -50.8 | 0 | -163.4 | -179.8 | -105.6 | 0 | 0 | 112.7 | R3 R4 L5 | M1-R3 PolarHBondContact O-N 3.38Å; M1-R4 PolarHBondContact O-N 2.74Å; M1-R4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.47Å | |||
| 2 | F | 76.1 | Confident | 72.9 | Confident | 168 Ų | 168 | 123.3 Ų | 123.3 | 74% | 0.737 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -52.7 | -45.1 | -176.9 | -160.6 | -97.7 | 0 | 0 | 0 | 115.2 | R4 L5 Y6 | F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 2.72Å; F2-L5 PolarHBondContact O-N 3.4Å; F2-L5 VanDerWaalsContact O-N 3.09Å; F2-Y6 WeakPolarHBondContact O-CB 3.5Å; F2-Y6 PolarHBondContact O-N 2.7Å |
| 3 | R | 75.4 | Confident | 73 | Confident | 198 Ų | 198 | 123.8 Ų | 123.8 | 75% | 0.747 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.5 | -37.7 | 177.6 | -164.6 | 174.4 | -178.3 | -178 | 2.1 | 113.2 | M1 H7 | M1-R3 PolarHBondContact O-N 3.38Å; R3-H7 PolarHBondContact O-CD2 3.26Å; R3-H7 PolarHBondContact O-N 3Å |
| 4 | R | 75.6 | Confident | 73.1 | Confident | 196 Ų | 196 | 121.2 Ų | 121.2 | 74% | 0.74 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.8 | -39.4 | 176 | -70.7 | -175 | -178.5 | 175.7 | 0.4 | 111.4 | M1 F2 R8 | M1-R4 PolarHBondContact O-N 2.74Å; M1-R4 VanDerWaalsContact O-N 3.09Å; F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 2.72Å; R4-R8 VanDerWaalsContact O-CB 3.3Å; R4-R8 WeakPolarHBondContact O-CB 3.31Å; R4-R8 WeakPolarHBondContact O-CG 3.45Å; R4-R8 PolarHBondContact O-N 3.08Å; R4-R8 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 75.2 | Confident | 72.6 | Confident | 101 Ų | 101 | 114.5 Ų | 114.5 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 178.1 | -156.9 | 83.2 | 0 | 0 | 0 | 111.5 | M1 F2 R8 I9 | M1-L5 PolarHBondContact O-N 3.47Å; F2-L5 PolarHBondContact O-N 3.4Å; F2-L5 VanDerWaalsContact O-N 3.09Å; L5-R8 PolarHBondContact O-N 3.2Å; L5-I9 HydrophobicContact CD1-CD1 3.65Å; L5-I9 HydrophobicContact CG-CD1 4.01Å; L5-I9 WeakPolarHBondContact O-CB 3.5Å; L5-I9 PolarHBondContact O-N 3.24Å |
| 6 | Y | 74.2 | Confident | 72.3 | Confident | 95 Ų | 95 | 110.1 Ų | 110.1 | 37% | 0.373 | 50% | 0.496 | S | S | . | . | I | π-helix | trans | -55.7 | -55 | 175.6 | 176.9 | -93 | 0 | 0 | 0 | 111.2 | F2 R8 L10 A11 L14 | F2-Y6 WeakPolarHBondContact O-CB 3.5Å; F2-Y6 PolarHBondContact O-N 2.7Å; Y6-R8 PolarHBondContact O-N 3.12Å; Y6-L10 HydrophobicContact CD2-CB 4.13Å; Y6-L10 HydrophobicContact CD2-CD2 3.71Å; Y6-L10 HydrophobicContact CD2-CG 4.37Å; Y6-L10 HydrophobicContact CE2-CD2 3.89Å; Y6-L10 HydrophobicContact CE2-CG 4.48Å; Y6-L10 PolarHBondContact O-N 2.99Å; Y6-A11 HydrophobicContact CD1-CB 4.46Å; Y6-A11 HydrophobicContact CE1-CB 4.12Å; Y6-A11 PolarHBondContact O-N 2.95Å; Y6-L14 HydrophobicContact CE2-CD1 4.35Å |
| 7 | H | 69 | Low | 72.2 | Confident | 106 Ų | 106 | 108.2 Ų | 108.2 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -68.3 | -31.7 | -177.7 | -73 | -60.6 | 0 | 0 | 0 | 113.6 | R3 | R3-H7 PolarHBondContact O-CD2 3.26Å; R3-H7 PolarHBondContact O-N 3Å |
| 8 | R | 67.6 | Low | 72.1 | Confident | 186 Ų | 186 | 110.7 Ų | 110.7 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | I | π-helix | trans | -81.9 | -36.6 | -179 | -75.5 | -176.8 | 174.7 | -176.7 | -2.1 | 113.9 | R4 L5 Y6 | R4-R8 VanDerWaalsContact O-CB 3.3Å; R4-R8 WeakPolarHBondContact O-CB 3.31Å; R4-R8 WeakPolarHBondContact O-CG 3.45Å; R4-R8 PolarHBondContact O-N 3.08Å; R4-R8 VanDerWaalsContact O-N 3.09Å; L5-R8 PolarHBondContact O-N 3.2Å; Y6-R8 PolarHBondContact O-N 3.12Å |
| 9 | I | 74.2 | Confident | 71.9 | Confident | 87 Ų | 87 | 105 Ų | 105 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -115.4 | -49.2 | -169.1 | -54.6 | -177.5 | 0 | 0 | 0 | 111.6 | L5 K13 | L5-I9 HydrophobicContact CD1-CD1 3.65Å; L5-I9 HydrophobicContact CG-CD1 4.01Å; L5-I9 WeakPolarHBondContact O-CB 3.5Å; L5-I9 PolarHBondContact O-N 3.24Å; I9-K13 WeakPolarHBondContact O-CG 3.21Å |
| 10 | L | 72.7 | Confident | 71.8 | Confident | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.424 | 46% | 0.462 | S | S | . | . | I | π-helix | trans | -82.5 | -43.5 | -169.8 | -165 | 66.2 | 0 | 0 | 0 | 112.2 | Y6 K13 L14 | Y6-L10 HydrophobicContact CD2-CB 4.13Å; Y6-L10 HydrophobicContact CD2-CD2 3.71Å; Y6-L10 HydrophobicContact CD2-CG 4.37Å; Y6-L10 HydrophobicContact CE2-CD2 3.89Å; Y6-L10 HydrophobicContact CE2-CG 4.48Å; Y6-L10 PolarHBondContact O-N 2.99Å; L10-K13 PolarHBondContact O-N 3.39Å; L10-K13 VanDerWaalsContact O-N 3.17Å; L10-L14 HydrophobicContact CD1-CD1 4.49Å; L10-L14 HydrophobicContact CD1-CG 4.33Å; L10-L14 HydrophobicContact CD2-CD1 4.02Å; L10-L14 HydrophobicContact CG-CD1 3.73Å; L10-L14 HydrophobicContact CG-CG 4.01Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.27Å |
| 11 | A | 70.5 | Confident | 71.8 | Confident | 18 Ų | 18 | 105.9 Ų | 105.9 | 15% | 0.149 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y6 K13 L14 H15 | Y6-A11 HydrophobicContact CD1-CB 4.46Å; Y6-A11 HydrophobicContact CE1-CB 4.12Å; Y6-A11 PolarHBondContact O-N 2.95Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 2.92Å; A11-L14 PolarHBondContact O-N 3.12Å; A11-H15 WeakPolarHBondContact O-CB 3.14Å; A11-H15 PolarHBondContact O-N 3.16Å |
| 12 | P | 65.1 | Low | 71.3 | Confident | 30 Ų | 30 | 98.7 Ų | 98.7 | 20% | 0.195 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 175.2 | -21.6 | 33.8 | 0 | 0 | 0 | 112.7 | L16 P413 | P12-L16 VanDerWaalsContact O-CB 3.3Å; P12-L16 WeakPolarHBondContact O-CB 3.35Å; P12-L16 PolarHBondContact O-N 3.38Å; P12-P413 HydrophobicContact CB-CB 4.4Å; P12-P413 WeakPolarHBondContact CB-O 3.35Å; P12-P413 HydrophobicContact CG-CB 4.14Å; P12-P413 WeakPolarHBondContact CG-O 3.48Å |
| 13 | K | 73.8 | Confident | 70.9 | Confident | 131 Ų | 131 | 90.8 Ų | 90.8 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.6 | -46.9 | 178.1 | -72.8 | -176.7 | 178.3 | -173.3 | 0 | 112.2 | I9 L10 A11 H15 L16 C17 | I9-K13 WeakPolarHBondContact O-CG 3.21Å; L10-K13 PolarHBondContact O-N 3.39Å; L10-K13 VanDerWaalsContact O-N 3.17Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 2.92Å; K13-H15 VanDerWaalsContact C-N 3.27Å; K13-H15 PolarHBondContact O-N 3.26Å; K13-L16 WeakPolarHBondContact O-CB 3.33Å; K13-L16 PolarHBondContact O-N 3.44Å; K13-C17 PolarHBondContact O-N 3.29Å; K13-C17 PolarHBondContact O-SG 2.77Å |
| 14 | L | 73.6 | Confident | 70.7 | Confident | 87 Ų | 87 | 85.1 Ų | 85.1 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 174.9 | -72.9 | 175.4 | 0 | 0 | 0 | 111.3 | Y6 L10 A11 C17 R18 | Y6-L14 HydrophobicContact CE2-CD1 4.35Å; L10-L14 HydrophobicContact CD1-CD1 4.49Å; L10-L14 HydrophobicContact CD1-CG 4.33Å; L10-L14 HydrophobicContact CD2-CD1 4.02Å; L10-L14 HydrophobicContact CG-CD1 3.73Å; L10-L14 HydrophobicContact CG-CG 4.01Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.27Å; A11-L14 PolarHBondContact O-N 3.12Å; L14-C17 CarbonylContact O-C 3.6Å; L14-C17 WeakPolarHBondContact O-CB 3.36Å; L14-C17 PolarHBondContact O-N 3.28Å; L14-R18 WeakPolarHBondContact O-CB 3.39Å; L14-R18 PolarHBondContact O-N 2.7Å |
| 15 | H | 66.2 | Low | 70.6 | Confident | 20 Ų | 20 | 77.8 Ų | 77.8 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 175 | 179.4 | 75.4 | 0 | 0 | 0 | 111.8 | A11 K13 C17 R18 I19 M410 | A11-H15 WeakPolarHBondContact O-CB 3.14Å; A11-H15 PolarHBondContact O-N 3.16Å; K13-H15 VanDerWaalsContact C-N 3.27Å; K13-H15 PolarHBondContact O-N 3.26Å; H15-C17 VanDerWaalsContact C-N 3.33Å; H15-C17 PolarHBondContact O-N 3.12Å; H15-R18 WeakPolarHBondContact O-CB 3.38Å; H15-R18 PolarHBondContact O-N 3.3Å; H15-R18 VanDerWaalsContact O-N 3.1Å; H15-I19 WeakPolarHBondContact NE2-CD1 3.33Å; H15-I19 PolarHBondContact O-N 3.38Å; H15-M410 PolarHBondContact CE1-O 3.41Å; H15-M410 PolarHBondContact NE2-O 3.06Å; H15-M410 VanDerWaalsContact NE2-O 3.11Å |
| 16 | L | 67.8 | Low | 70.8 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.9 | -50.7 | 172.6 | -173.1 | 61.8 | 0 | 0 | 0 | 109.5 | P12 K13 R18 I19 Y20 P292 L480 | P12-L16 VanDerWaalsContact O-CB 3.3Å; P12-L16 WeakPolarHBondContact O-CB 3.35Å; P12-L16 PolarHBondContact O-N 3.38Å; K13-L16 WeakPolarHBondContact O-CB 3.33Å; K13-L16 PolarHBondContact O-N 3.44Å; L16-R18 VanDerWaalsContact C-N 3.28Å; L16-R18 PolarHBondContact O-N 3.07Å; L16-I19 PolarHBondContact O-N 3.05Å; L16-I19 VanDerWaalsContact O-N 3.14Å; L16-Y20 HydrophobicContact CD1-CD2 3.79Å; L16-Y20 HydrophobicContact CD1-CE2 3.42Å; L16-Y20 VanDerWaalsContact CD1-CE2 3.42Å; L16-Y20 HydrophobicContact CD2-CE2 3.94Å; L16-Y20 HydrophobicContact CG-CD2 3.65Å; L16-Y20 HydrophobicContact CG-CE2 3.42Å; L16-Y20 VanDerWaalsContact CG-CE2 3.42Å; L16-Y20 WeakPolarHBondContact O-CD2 3.22Å; L16-Y20 PolarHBondContact O-N 2.99Å; L16-P292 HydrophobicContact CD1-CB 3.56Å; L16-L480 HydrophobicContact CD2-CD1 4.16Å; L16-L480 HydrophobicContact CD2-CD2 3.86Å |
| 17 | C | 71.2 | Confident | 71.2 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.5 | -39.4 | 174.5 | -67.2 | 0 | 0 | 0 | 0 | 113 | K13 L14 H15 Y20 Y21 | K13-C17 PolarHBondContact O-N 3.29Å; K13-C17 PolarHBondContact O-SG 2.77Å; L14-C17 CarbonylContact O-C 3.6Å; L14-C17 WeakPolarHBondContact O-CB 3.36Å; L14-C17 PolarHBondContact O-N 3.28Å; H15-C17 VanDerWaalsContact C-N 3.33Å; H15-C17 PolarHBondContact O-N 3.12Å; C17-Y20 PolarHBondContact O-N 2.99Å; C17-Y21 VanDerWaalsContact O-CB 3.26Å; C17-Y21 WeakPolarHBondContact O-CB 3.44Å; C17-Y21 PolarHBondContact O-N 2.94Å |
| 18 | R | 70.2 | Confident | 71.9 | Confident | 152 Ų | 152 | 71.5 Ų | 71.5 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 176.4 | -173.6 | 177.1 | 178.3 | -179.7 | -0.4 | 111.6 | L14 H15 L16 Y21 I22 | L14-R18 WeakPolarHBondContact O-CB 3.39Å; L14-R18 PolarHBondContact O-N 2.7Å; H15-R18 WeakPolarHBondContact O-CB 3.38Å; H15-R18 PolarHBondContact O-N 3.3Å; H15-R18 VanDerWaalsContact O-N 3.1Å; L16-R18 VanDerWaalsContact C-N 3.28Å; L16-R18 PolarHBondContact O-N 3.07Å; R18-Y21 PolarHBondContact O-N 3.49Å; R18-I22 HydrophobicContact CG-CD1 4.09Å; R18-I22 WeakPolarHBondContact O-CD1 3.47Å; R18-I22 VanDerWaalsContact O-CG1 3.23Å; R18-I22 WeakPolarHBondContact O-CG1 3.43Å; R18-I22 PolarHBondContact O-N 3.4Å |
| 19 | I | 68.1 | Low | 72.7 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.9 | -66.7 | 178.7 | 0 | 0 | 0 | 110.3 | H15 L16 Y21 I22 H23 P292 M405 | H15-I19 WeakPolarHBondContact NE2-CD1 3.33Å; H15-I19 PolarHBondContact O-N 3.38Å; L16-I19 PolarHBondContact O-N 3.05Å; L16-I19 VanDerWaalsContact O-N 3.14Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.2Å; I19-I22 PolarHBondContact O-N 3.32Å; I19-H23 WeakPolarHBondContact CG2-CD2 3.39Å; I19-H23 PolarHBondContact O-CD2 3.44Å; I19-H23 PolarHBondContact O-N 2.92Å; I19-P292 HydrophobicContact CB-CB 4.1Å; I19-P292 HydrophobicContact CD1-CB 4.01Å; I19-P292 HydrophobicContact CD1-CG 3.63Å; I19-P292 HydrophobicContact CG2-CB 3.6Å; I19-P292 HydrophobicContact CG2-CG 3.93Å; I19-M405 HydrophobicContact CG2-CE 4.28Å |
| 20 | Y | 69.7 | Low | 73.3 | Confident | 50 Ų | 50 | 61 Ų | 61 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 173.6 | -87.5 | -86.5 | 0 | 0 | 0 | 111 | L16 C17 I22 H23 W24 K297 | L16-Y20 HydrophobicContact CD1-CD2 3.79Å; L16-Y20 HydrophobicContact CD1-CE2 3.42Å; L16-Y20 VanDerWaalsContact CD1-CE2 3.42Å; L16-Y20 HydrophobicContact CD2-CE2 3.94Å; L16-Y20 HydrophobicContact CG-CD2 3.65Å; L16-Y20 HydrophobicContact CG-CE2 3.42Å; L16-Y20 VanDerWaalsContact CG-CE2 3.42Å; L16-Y20 WeakPolarHBondContact O-CD2 3.22Å; L16-Y20 PolarHBondContact O-N 2.99Å; C17-Y20 PolarHBondContact O-N 2.99Å; Y20-I22 VanDerWaalsContact C-N 3.34Å; Y20-I22 PolarHBondContact O-N 3.45Å; Y20-H23 PolarHBondContact O-N 3.18Å; Y20-H23 VanDerWaalsContact O-N 3.16Å; Y20-W24 AromaticContact CD1-CD1 3.45Å; Y20-W24 VanDerWaalsContact CD1-CD1 3.45Å; Y20-W24 AromaticContact CD1-NE1 3.35Å; Y20-W24 VanDerWaalsContact CD1-NE1 3.35Å; Y20-W24 AromaticContact CE1-NE1 3.81Å; Y20-W24 WeakPolarHBondContact O-CB 3.47Å; Y20-W24 VanDerWaalsContact O-CD1 3.23Å; Y20-W24 PolarHBondContact O-N 3.13Å; Y20-K297 VanDerWaalsContact CZ-NZ 3.27Å; Y20-K297 PolarHBondContact OH-NZ 3.42Å |
| 21 | Y | 72.6 | Confident | 74.1 | Confident | 179 Ų | 179 | 61.3 Ų | 61.3 | 70% | 0.702 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 177.6 | 179.9 | -97 | 0 | 0 | 0 | 111.8 | C17 R18 I19 H23 G25 | C17-Y21 VanDerWaalsContact O-CB 3.26Å; C17-Y21 WeakPolarHBondContact O-CB 3.44Å; C17-Y21 PolarHBondContact O-N 2.94Å; R18-Y21 PolarHBondContact O-N 3.49Å; I19-Y21 VanDerWaalsContact C-N 3.33Å; I19-Y21 PolarHBondContact O-N 3.2Å; Y21-H23 VanDerWaalsContact C-N 3.31Å; Y21-H23 PolarHBondContact O-N 3.01Å; Y21-G25 VanDerWaalsContact O-CA 3.27Å; Y21-G25 WeakPolarHBondContact O-CA 3.36Å; Y21-G25 PolarHBondContact O-N 2.97Å |
| 22 | I | 68.9 | Low | 75.1 | Confident | 61 Ų | 61 | 66 Ų | 66 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 175.4 | -69.8 | 163.9 | 0 | 0 | 0 | 111.3 | R18 I19 Y20 L26 P83 | R18-I22 HydrophobicContact CG-CD1 4.09Å; R18-I22 WeakPolarHBondContact O-CD1 3.47Å; R18-I22 VanDerWaalsContact O-CG1 3.23Å; R18-I22 WeakPolarHBondContact O-CG1 3.43Å; R18-I22 PolarHBondContact O-N 3.4Å; I19-I22 PolarHBondContact O-N 3.32Å; Y20-I22 VanDerWaalsContact C-N 3.34Å; Y20-I22 PolarHBondContact O-N 3.45Å; I22-L26 VanDerWaalsContact O-CD1 3.25Å; I22-L26 WeakPolarHBondContact O-CD1 3.38Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.31Å; I22-P83 HydrophobicContact CG2-CG 4.15Å |
| 23 | H | 68.2 | Low | 76.2 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -83.2 | -37.5 | -179.3 | -75.3 | -69.5 | 0 | 0 | 0 | 114.2 | I19 Y20 Y21 P83 I294 M405 | I19-H23 WeakPolarHBondContact CG2-CD2 3.39Å; I19-H23 PolarHBondContact O-CD2 3.44Å; I19-H23 PolarHBondContact O-N 2.92Å; Y20-H23 PolarHBondContact O-N 3.18Å; Y20-H23 VanDerWaalsContact O-N 3.16Å; Y21-H23 VanDerWaalsContact C-N 3.31Å; Y21-H23 PolarHBondContact O-N 3.01Å; H23-P83 VanDerWaalsContact ND1-CD 3.26Å; H23-P83 WeakPolarHBondContact ND1-CD 3.36Å; H23-I294 HydrophobicContact CB-CB 4.19Å; H23-I294 HydrophobicContact CB-CG2 3.93Å; H23-M405 WeakPolarHBondContact NE2-CE 3.25Å |
| 24 | W | 69.6 | Low | 77.1 | Confident | 80 Ų | 80 | 60.4 Ų | 60.4 | 30% | 0.303 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -93.5 | -29.4 | -173.8 | -73.7 | 88.1 | 0 | 0 | 0 | 112.8 | Y20 L26 L27 P28 I294 P483 V486 | Y20-W24 AromaticContact CD1-CD1 3.45Å; Y20-W24 VanDerWaalsContact CD1-CD1 3.45Å; Y20-W24 AromaticContact CD1-NE1 3.35Å; Y20-W24 VanDerWaalsContact CD1-NE1 3.35Å; Y20-W24 AromaticContact CE1-NE1 3.81Å; Y20-W24 WeakPolarHBondContact O-CB 3.47Å; Y20-W24 VanDerWaalsContact O-CD1 3.23Å; Y20-W24 PolarHBondContact O-N 3.13Å; W24-L26 PolarHBondContact O-N 3.32Å; W24-L27 HydrophobicContact CE3-CD2 4.41Å; W24-L27 HydrophobicContact CZ3-CD2 4.31Å; W24-L27 PolarHBondContact O-N 2.98Å; W24-P28 WeakPolarHBondContact O-CD 3.39Å; W24-I294 HydrophobicContact CH2-CD1 4.09Å; W24-I294 HydrophobicContact CZ2-CD1 3.48Å; W24-I294 VanDerWaalsContact CZ2-CD1 3.48Å; W24-P483 HydrophobicContact CZ2-CB 4.24Å; W24-V486 HydrophobicContact CH2-CG2 4.3Å; W24-V486 HydrophobicContact CZ3-CG2 4.36Å |
| 25 | G | 74.9 | Confident | 78.2 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -24.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y21 | Y21-G25 VanDerWaalsContact O-CA 3.27Å; Y21-G25 WeakPolarHBondContact O-CA 3.36Å; Y21-G25 PolarHBondContact O-N 2.97Å |
| 26 | L | 78.6 | Confident | 79.6 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 29% | 0.293 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.2 | -27.1 | 177.4 | -64.8 | 177.7 | 0 | 0 | 0 | 113.3 | I22 W24 G29 Y30 P83 | I22-L26 VanDerWaalsContact O-CD1 3.25Å; I22-L26 WeakPolarHBondContact O-CD1 3.38Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.31Å; W24-L26 PolarHBondContact O-N 3.32Å; L26-G29 PolarHBondContact O-N 3.16Å; L26-Y30 WeakPolarHBondContact O-CB 3.25Å; L26-Y30 PolarHBondContact O-N 3.19Å; L26-P83 HydrophobicContact CD1-CG 3.93Å |
| 27 | L | 82.3 | Confident | 80.8 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.4 | -47.1 | -172.6 | -177.6 | 65.4 | 0 | 0 | 0 | 112.9 | W24 G29 Y30 L31 V486 | W24-L27 HydrophobicContact CE3-CD2 4.41Å; W24-L27 HydrophobicContact CZ3-CD2 4.31Å; W24-L27 PolarHBondContact O-N 2.98Å; L27-G29 VanDerWaalsContact C-N 3.33Å; L27-G29 PolarHBondContact O-N 3.36Å; L27-Y30 PolarHBondContact O-N 3.4Å; L27-L31 HydrophobicContact CD1-CD1 4.43Å; L27-L31 HydrophobicContact CD1-CG 4.36Å; L27-L31 HydrophobicContact CG-CD1 4.16Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3.1Å; L27-V486 HydrophobicContact CD2-CG1 4.37Å; L27-V486 HydrophobicContact CD2-CG2 4.2Å |
| 28 | P | 84.9 | Confident | 82 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 173.9 | -24.9 | 34.5 | 0 | 0 | 0 | 112.8 | W24 Y30 L31 L32 | W24-P28 WeakPolarHBondContact O-CD 3.39Å; P28-Y30 VanDerWaalsContact C-N 3.33Å; P28-Y30 PolarHBondContact O-N 3.04Å; P28-L31 PolarHBondContact O-N 3.25Å; P28-L32 WeakPolarHBondContact O-CB 3.05Å; P28-L32 PolarHBondContact O-N 2.91Å |
| 29 | G | 83.9 | Confident | 83.3 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L26 L27 L33 | L26-G29 PolarHBondContact O-N 3.16Å; L27-G29 VanDerWaalsContact C-N 3.33Å; L27-G29 PolarHBondContact O-N 3.36Å; G29-L33 WeakPolarHBondContact O-CB 3.49Å; G29-L33 PolarHBondContact O-N 3.44Å |
| 30 | Y | 86 | Confident | 84.6 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 7% | 0.071 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 174.1 | 178.4 | -97.4 | 0 | 0 | 0 | 112.6 | L26 L27 P28 L32 L33 Q34 V79 A81 Q91 | L26-Y30 WeakPolarHBondContact O-CB 3.25Å; L26-Y30 PolarHBondContact O-N 3.19Å; L27-Y30 PolarHBondContact O-N 3.4Å; P28-Y30 VanDerWaalsContact C-N 3.33Å; P28-Y30 PolarHBondContact O-N 3.04Å; Y30-L32 VanDerWaalsContact C-N 3.32Å; Y30-L32 PolarHBondContact O-N 3.4Å; Y30-L33 WeakPolarHBondContact O-CB 3.38Å; Y30-L33 PolarHBondContact O-N 3.39Å; Y30-L33 VanDerWaalsContact O-N 3.17Å; Y30-Q34 HydrophobicContact CD1-CG 4.09Å; Y30-Q34 HydrophobicContact CE1-CG 3.65Å; Y30-Q34 HydrophobicContact CE2-CG 4.42Å; Y30-Q34 VanDerWaalsContact CZ-NE2 3.25Å; Y30-Q34 WeakPolarHBondContact O-CG 3.36Å; Y30-Q34 PolarHBondContact O-N 3Å; Y30-Q34 PolarHBondContact OH-NE2 3.08Å; Y30-V79 HydrophobicContact CD2-CG1 4.46Å; Y30-A81 HydrophobicContact CD1-CB 3.46Å; Y30-A81 VanDerWaalsContact CD1-CB 3.46Å; Y30-A81 HydrophobicContact CD2-CB 3.85Å; Y30-A81 HydrophobicContact CE1-CB 3.67Å; Y30-A81 HydrophobicContact CE2-CB 4.01Å; Y30-A81 HydrophobicContact CG-CB 3.54Å; Y30-Q91 HydrophobicContact CE2-CG 4.49Å |
| 31 | L | 90.5 | Very high | 85.8 | Confident | 88 Ų | 88 | 66 Ų | 66 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.7 | -69.4 | 168.5 | 0 | 0 | 0 | 111.2 | L27 P28 L33 Q34 V35 | L27-L31 HydrophobicContact CD1-CD1 4.43Å; L27-L31 HydrophobicContact CD1-CG 4.36Å; L27-L31 HydrophobicContact CG-CD1 4.16Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3.1Å; P28-L31 PolarHBondContact O-N 3.25Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-Q34 PolarHBondContact O-N 3.4Å; L31-V35 PolarHBondContact O-N 3.42Å; L31-V35 VanDerWaalsContact O-N 3.12Å |
| 32 | L | 90.6 | Very high | 87 | Confident | 116 Ų | 116 | 60.6 Ų | 60.6 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.7 | -45.6 | 172.5 | -179.8 | 61.6 | 0 | 0 | 0 | 111.3 | P28 Y30 Q34 V35 V36 | P28-L32 WeakPolarHBondContact O-CB 3.05Å; P28-L32 PolarHBondContact O-N 2.91Å; Y30-L32 VanDerWaalsContact C-N 3.32Å; Y30-L32 PolarHBondContact O-N 3.4Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 2.76Å; L32-V35 PolarHBondContact O-N 3.38Å; L32-V36 HydrophobicContact CD1-CG2 4.42Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.09Å |
| 33 | L | 89.3 | Confident | 88.3 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 174.5 | 176.9 | 61.9 | 0 | 0 | 0 | 111.5 | G29 Y30 L31 V35 V36 R37 F77 V79 L93 | G29-L33 WeakPolarHBondContact O-CB 3.49Å; G29-L33 PolarHBondContact O-N 3.44Å; Y30-L33 WeakPolarHBondContact O-CB 3.38Å; Y30-L33 PolarHBondContact O-N 3.39Å; Y30-L33 VanDerWaalsContact O-N 3.17Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.43Å; L33-V36 PolarHBondContact O-N 3.25Å; L33-R37 WeakPolarHBondContact O-CB 3.09Å; L33-R37 PolarHBondContact O-N 3.46Å; L33-F77 HydrophobicContact CD1-CD1 3.78Å; L33-F77 HydrophobicContact CD1-CE1 4.27Å; L33-F77 HydrophobicContact CD2-CD1 4.27Å; L33-V79 HydrophobicContact CD2-CB 3.7Å; L33-L93 HydrophobicContact CD1-CB 4.25Å |
| 34 | Q | 93 | Very high | 89.7 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 179.1 | -66 | -49.2 | -55 | 0 | 0 | 112.4 | Y30 L31 L32 R37 L38 S90 | Y30-Q34 HydrophobicContact CD1-CG 4.09Å; Y30-Q34 HydrophobicContact CE1-CG 3.65Å; Y30-Q34 HydrophobicContact CE2-CG 4.42Å; Y30-Q34 VanDerWaalsContact CZ-NE2 3.25Å; Y30-Q34 WeakPolarHBondContact O-CG 3.36Å; Y30-Q34 PolarHBondContact O-N 3Å; Y30-Q34 PolarHBondContact OH-NE2 3.08Å; L31-Q34 PolarHBondContact O-N 3.4Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 2.76Å; Q34-R37 PolarHBondContact O-N 3.4Å; Q34-L38 WeakPolarHBondContact O-CB 3.4Å; Q34-L38 PolarHBondContact O-N 3.06Å; Q34-S90 PolarHBondContact NE2-O 2.77Å |
| 35 | V | 95.5 | Very high | 90.9 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -49.9 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L31 L32 L33 R37 L38 I39 | L31-V35 PolarHBondContact O-N 3.42Å; L31-V35 VanDerWaalsContact O-N 3.12Å; L32-V35 PolarHBondContact O-N 3.38Å; L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.43Å; V35-R37 VanDerWaalsContact C-N 3.29Å; V35-R37 PolarHBondContact O-N 2.92Å; V35-L38 PolarHBondContact O-N 3.04Å; V35-I39 HydrophobicContact CG1-CD1 4.36Å; V35-I39 PolarHBondContact O-N 3.46Å |
| 36 | V | 95.3 | Very high | 92 | Very high | 64 Ų | 64 | 64 Ų | 64 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L32 L33 L38 I39 W40 L93 | L32-V36 HydrophobicContact CD1-CG2 4.42Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.09Å; L33-V36 PolarHBondContact O-N 3.25Å; V36-L38 PolarHBondContact O-N 2.83Å; V36-I39 PolarHBondContact O-N 2.86Å; V36-W40 VanDerWaalsContact O-CB 3.22Å; V36-W40 WeakPolarHBondContact O-CB 3.23Å; V36-W40 PolarHBondContact O-N 3.09Å; V36-L93 HydrophobicContact CG1-CD2 4.41Å |
| 37 | R | 93.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 67.4 Ų | 67.4 | 21% | 0.208 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 179.4 | -175.1 | 179.2 | 174.5 | -75.8 | -5.3 | 111.7 | L33 Q34 V35 W40 C41 L93 | L33-R37 WeakPolarHBondContact O-CB 3.09Å; L33-R37 PolarHBondContact O-N 3.46Å; Q34-R37 PolarHBondContact O-N 3.4Å; V35-R37 VanDerWaalsContact C-N 3.29Å; V35-R37 PolarHBondContact O-N 2.92Å; R37-W40 PolarHBondContact O-N 3.06Å; R37-C41 VanDerWaalsContact O-CB 3.26Å; R37-C41 WeakPolarHBondContact O-CB 3.48Å; R37-C41 PolarHBondContact O-N 3.01Å; R37-C41 PolarHBondContact O-SG 2.83Å; R37-L93 HydrophobicContact CB-CD1 4.24Å; R37-L93 HydrophobicContact CG-CD1 4.41Å |
| 38 | L | 95.7 | Very high | 93.6 | Very high | 119 Ų | 119 | 68.1 Ų | 68.1 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.6 | -48 | 176.4 | 178.5 | 65.1 | 0 | 0 | 0 | 111.2 | Q34 V35 V36 S42 | Q34-L38 WeakPolarHBondContact O-CB 3.4Å; Q34-L38 PolarHBondContact O-N 3.06Å; V35-L38 PolarHBondContact O-N 3.04Å; V36-L38 PolarHBondContact O-N 2.83Å; L38-S42 PolarHBondContact O-N 3.49Å; L38-S42 VanDerWaalsContact O-N 3.13Å; L38-S42 PolarHBondContact O-OG 3.3Å |
| 39 | I | 97.6 | Very high | 94.3 | Very high | 108 Ų | 108 | 68.4 Ų | 68.4 | 55% | 0.554 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 176.9 | -63.2 | 168.2 | 0 | 0 | 0 | 109.8 | V35 V36 S42 V43 | V35-I39 HydrophobicContact CG1-CD1 4.36Å; V35-I39 PolarHBondContact O-N 3.46Å; V36-I39 PolarHBondContact O-N 2.86Å; I39-S42 WeakPolarHBondContact O-CB 3.47Å; I39-S42 PolarHBondContact O-N 3.27Å; I39-S42 VanDerWaalsContact O-N 3.16Å; I39-V43 PolarHBondContact O-N 3.35Å |
| 40 | W | 96.7 | Very high | 94.9 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | -178.8 | -179.1 | -105.8 | 0 | 0 | 0 | 112.8 | V36 R37 S42 V43 Q44 L76 L93 T94 V95 | V36-W40 VanDerWaalsContact O-CB 3.22Å; V36-W40 WeakPolarHBondContact O-CB 3.23Å; V36-W40 PolarHBondContact O-N 3.09Å; R37-W40 PolarHBondContact O-N 3.06Å; W40-S42 PolarHBondContact O-N 3.03Å; W40-V43 PolarHBondContact O-N 3.18Å; W40-Q44 HydrophobicContact CD2-CG 4.33Å; W40-Q44 HydrophobicContact CG-CG 4.48Å; W40-Q44 HydrophobicContact CZ2-CG 4.27Å; W40-Q44 WeakPolarHBondContact O-CB 3.48Å; W40-Q44 WeakPolarHBondContact O-CG 3.32Å; W40-Q44 PolarHBondContact O-N 2.86Å; W40-L76 HydrophobicContact CH2-CD1 4.46Å; W40-L76 HydrophobicContact CZ2-CD1 3.86Å; W40-L93 HydrophobicContact CB-CD1 3.81Å; W40-L93 HydrophobicContact CD2-CD1 4.45Å; W40-L93 HydrophobicContact CG-CD1 3.61Å; W40-L93 HydrophobicContact CG-CG 4.37Å; W40-T94 PolarHBondContact NE1-O 2.84Å; W40-V95 HydrophobicContact CZ2-CB 4.38Å |
| 41 | C | 95 | Very high | 95.5 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 24% | 0.243 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.2 | -32.3 | 176.6 | -71.9 | 0 | 0 | 0 | 0 | 112 | R37 S45 | R37-C41 VanDerWaalsContact O-CB 3.26Å; R37-C41 WeakPolarHBondContact O-CB 3.48Å; R37-C41 PolarHBondContact O-N 3.01Å; R37-C41 PolarHBondContact O-SG 2.83Å; C41-S45 VanDerWaalsContact O-CB 3.32Å; C41-S45 WeakPolarHBondContact O-CB 3.22Å; C41-S45 PolarHBondContact O-N 3.35Å; C41-S45 PolarHBondContact O-OG 3.27Å |
| 42 | S | 96.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 73.9 Ų | 73.9 | 46% | 0.462 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.9 | -48.1 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | L38 I39 W40 Q44 S45 V46 | L38-S42 PolarHBondContact O-N 3.49Å; L38-S42 VanDerWaalsContact O-N 3.13Å; L38-S42 PolarHBondContact O-OG 3.3Å; I39-S42 WeakPolarHBondContact O-CB 3.47Å; I39-S42 PolarHBondContact O-N 3.27Å; I39-S42 VanDerWaalsContact O-N 3.16Å; W40-S42 PolarHBondContact O-N 3.03Å; S42-Q44 PolarHBondContact O-N 3.27Å; S42-S45 PolarHBondContact O-N 2.76Å; S42-V46 PolarHBondContact O-N 2.98Å |
| 43 | V | 97.3 | Very high | 96.2 | Very high | 87 Ų | 87 | 69 Ų | 69 | 53% | 0.527 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 175.6 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I39 W40 S45 V46 Y47 | I39-V43 PolarHBondContact O-N 3.35Å; W40-V43 PolarHBondContact O-N 3.18Å; V43-S45 VanDerWaalsContact C-N 3.33Å; V43-S45 PolarHBondContact O-N 2.82Å; V43-V46 PolarHBondContact O-N 2.89Å; V43-Y47 WeakPolarHBondContact O-CB 3.2Å; V43-Y47 PolarHBondContact O-N 2.9Å |
| 44 | Q | 95.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 68.9 Ų | 68.9 | 7% | 0.065 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 177.7 | -75.4 | -168.2 | -40.1 | 0 | 0 | 112.8 | W40 S42 V46 Y47 W48 T94 | W40-Q44 HydrophobicContact CD2-CG 4.33Å; W40-Q44 HydrophobicContact CG-CG 4.48Å; W40-Q44 HydrophobicContact CZ2-CG 4.27Å; W40-Q44 WeakPolarHBondContact O-CB 3.48Å; W40-Q44 WeakPolarHBondContact O-CG 3.32Å; W40-Q44 PolarHBondContact O-N 2.86Å; S42-Q44 PolarHBondContact O-N 3.27Å; Q44-V46 VanDerWaalsContact C-N 3.33Å; Q44-V46 PolarHBondContact O-N 3.24Å; Q44-Y47 PolarHBondContact O-N 2.95Å; Q44-W48 VanDerWaalsContact O-CB 3.32Å; Q44-W48 WeakPolarHBondContact O-CB 3.3Å; Q44-W48 VanDerWaalsContact O-CD1 3.29Å; Q44-W48 PolarHBondContact O-N 2.94Å; Q44-T94 PolarHBondContact NE2-O 3.08Å; Q44-T94 PolarHBondContact OE1-O 3.34Å |
| 45 | S | 95.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 74 Ų | 74 | 43% | 0.434 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 111 | C41 S42 V43 W48 E49 | C41-S45 VanDerWaalsContact O-CB 3.32Å; C41-S45 WeakPolarHBondContact O-CB 3.22Å; C41-S45 PolarHBondContact O-N 3.35Å; C41-S45 PolarHBondContact O-OG 3.27Å; S42-S45 PolarHBondContact O-N 2.76Å; V43-S45 VanDerWaalsContact C-N 3.33Å; V43-S45 PolarHBondContact O-N 2.82Å; S45-W48 PolarHBondContact O-N 3.34Å; S45-E49 WeakPolarHBondContact O-CG 3.38Å; S45-E49 PolarHBondContact O-N 2.99Å; S45-E49 VanDerWaalsContact O-N 3.08Å |
| 46 | V | 97.9 | Very high | 97 | Very high | 92 Ų | 92 | 71.9 Ų | 71.9 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.9 | -48.8 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | S42 V43 Q44 W48 E49 L50 | S42-V46 PolarHBondContact O-N 2.98Å; V43-V46 PolarHBondContact O-N 2.89Å; Q44-V46 VanDerWaalsContact C-N 3.33Å; Q44-V46 PolarHBondContact O-N 3.24Å; V46-W48 VanDerWaalsContact C-N 3.29Å; V46-W48 PolarHBondContact O-N 2.88Å; V46-E49 PolarHBondContact O-N 3.44Å; V46-L50 HydrophobicContact CG1-CD1 4Å; V46-L50 HydrophobicContact CG1-CG 4.48Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.06Å; V46-L50 VanDerWaalsContact O-N 3.08Å |
| 47 | Y | 97.5 | Very high | 97.1 | Very high | 128 Ų | 128 | 69.9 Ų | 69.9 | 50% | 0.502 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 177.6 | 175.7 | -100 | 0 | 0 | 0 | 112.3 | V43 Q44 L50 N51 I53 | V43-Y47 WeakPolarHBondContact O-CB 3.2Å; V43-Y47 PolarHBondContact O-N 2.9Å; Q44-Y47 PolarHBondContact O-N 2.95Å; Y47-L50 PolarHBondContact O-N 3.43Å; Y47-N51 WeakPolarHBondContact CD2-ND2 3.27Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.41Å; Y47-N51 WeakPolarHBondContact O-CB 3.43Å; Y47-N51 PolarHBondContact O-N 2.74Å; Y47-N51 PolarHBondContact O-ND2 2.91Å; Y47-I53 HydrophobicContact CE1-CD1 4.08Å |
| 48 | W | 97.9 | Very high | 97.3 | Very high | 45 Ų | 45 | 72 Ų | 72 | 17% | 0.17 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 179.2 | -72.8 | -1.6 | 0 | 0 | 0 | 113.1 | Q44 S45 V46 G52 I53 G54 I57 H71 L73 H96 | Q44-W48 VanDerWaalsContact O-CB 3.32Å; Q44-W48 WeakPolarHBondContact O-CB 3.3Å; Q44-W48 VanDerWaalsContact O-CD1 3.29Å; Q44-W48 PolarHBondContact O-N 2.94Å; S45-W48 PolarHBondContact O-N 3.34Å; V46-W48 VanDerWaalsContact C-N 3.29Å; V46-W48 PolarHBondContact O-N 2.88Å; W48-G52 CarbonylContact O-C 3.48Å; W48-G52 PolarHBondContact O-N 3.46Å; W48-I53 HydrophobicContact CB-CB 3.87Å; W48-I53 HydrophobicContact CB-CG2 4.03Å; W48-I53 HydrophobicContact CD2-CG2 3.9Å; W48-I53 HydrophobicContact CE3-CG2 4.45Å; W48-I53 HydrophobicContact CG-CB 3.96Å; W48-I53 HydrophobicContact CG-CD1 4.26Å; W48-I53 HydrophobicContact CG-CG2 3.68Å; W48-I53 PolarHBondContact O-N 3.01Å; W48-G54 PolarHBondContact O-N 3.03Å; W48-I57 HydrophobicContact CE3-CD1 3.79Å; W48-I57 HydrophobicContact CZ3-CD1 3.77Å; W48-H71 AromaticContact CH2-CE1 3.73Å; W48-L73 HydrophobicContact CH2-CD2 4.45Å; W48-L73 HydrophobicContact CZ2-CD2 4.18Å; W48-H96 HydrophobicContact CZ2-CB 4.11Å |
| 49 | E | 97.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 174.8 | -69 | -56 | 146.3 | 0 | 0 | 111.4 | S45 V46 N51 G52 R58 | S45-E49 WeakPolarHBondContact O-CG 3.38Å; S45-E49 PolarHBondContact O-N 2.99Å; S45-E49 VanDerWaalsContact O-N 3.08Å; V46-E49 PolarHBondContact O-N 3.44Å; E49-N51 VanDerWaalsContact C-N 3.31Å; E49-N51 PolarHBondContact O-N 2.95Å; E49-G52 PolarHBondContact O-N 3.46Å; E49-R58 IonicContact OE1-CZ 3.52Å; E49-R58 IonicContact OE1-NH1 3.12Å; E49-R58 PolarHBondContact OE1-NH1 2.91Å; E49-R58 IonicContact OE1-NH2 3.87Å; E49-R58 IonicContact OE2-CZ 3.47Å; E49-R58 IonicContact OE2-NH1 3.71Å; E49-R58 PolarHBondContact OE2-NH1 3.18Å; E49-R58 IonicContact OE2-NH2 3.6Å; E49-R58 PolarHBondContact OE2-NH2 3.17Å |
| 50 | L | 98 | Very high | 97.4 | Very high | 138 Ų | 138 | 61.8 Ų | 61.8 | 72% | 0.723 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -34.9 | 179.2 | -68.3 | 175 | 0 | 0 | 0 | 112.9 | V46 Y47 | V46-L50 HydrophobicContact CG1-CD1 4Å; V46-L50 HydrophobicContact CG1-CG 4.48Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 3.06Å; V46-L50 VanDerWaalsContact O-N 3.08Å; Y47-L50 PolarHBondContact O-N 3.43Å |
| 51 | N | 97.7 | Very high | 97.4 | Very high | 91 Ų | 91 | 64.3 Ų | 64.3 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 10.1 | -177.7 | -66.6 | -85.7 | 0 | 0 | 0 | 113.6 | Y47 E49 I53 | Y47-N51 WeakPolarHBondContact CD2-ND2 3.27Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.41Å; Y47-N51 WeakPolarHBondContact O-CB 3.43Å; Y47-N51 PolarHBondContact O-N 2.74Å; Y47-N51 PolarHBondContact O-ND2 2.91Å; E49-N51 VanDerWaalsContact C-N 3.31Å; E49-N51 PolarHBondContact O-N 2.95Å; N51-I53 HydrophobicContact CB-CD1 4.28Å; N51-I53 PolarHBondContact O-N 3.36Å; N51-I53 VanDerWaalsContact O-N 3.16Å |
| 52 | G | 97.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -5.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116 | W48 E49 G54 K55 H56 | W48-G52 CarbonylContact O-C 3.48Å; W48-G52 PolarHBondContact O-N 3.46Å; E49-G52 PolarHBondContact O-N 3.46Å; G52-G54 VanDerWaalsContact C-N 3.26Å; G52-G54 PolarHBondContact O-N 3.16Å; G52-K55 WeakPolarHBondContact O-CB 3.29Å; G52-K55 PolarHBondContact O-N 3.09Å; G52-K55 VanDerWaalsContact O-N 3.13Å; G52-H56 PolarHBondContact O-N 2.77Å |
| 53 | I | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.4 | -42.9 | 174.8 | -62.3 | 161.8 | 0 | 0 | 0 | 110.4 | Y47 W48 N51 K55 H56 I57 H96 F99 | Y47-I53 HydrophobicContact CE1-CD1 4.08Å; W48-I53 HydrophobicContact CB-CB 3.87Å; W48-I53 HydrophobicContact CB-CG2 4.03Å; W48-I53 HydrophobicContact CD2-CG2 3.9Å; W48-I53 HydrophobicContact CE3-CG2 4.45Å; W48-I53 HydrophobicContact CG-CB 3.96Å; W48-I53 HydrophobicContact CG-CD1 4.26Å; W48-I53 HydrophobicContact CG-CG2 3.68Å; W48-I53 PolarHBondContact O-N 3.01Å; N51-I53 HydrophobicContact CB-CD1 4.28Å; N51-I53 PolarHBondContact O-N 3.36Å; N51-I53 VanDerWaalsContact O-N 3.16Å; I53-K55 PolarHBondContact O-N 2.99Å; I53-H56 WeakPolarHBondContact O-CB 3.38Å; I53-H56 PolarHBondContact O-N 3.28Å; I53-I57 HydrophobicContact CG2-CD1 3.98Å; I53-I57 HydrophobicContact CG2-CG1 4.48Å; I53-I57 WeakPolarHBondContact O-CG1 3.35Å; I53-I57 PolarHBondContact O-N 3.17Å; I53-H96 WeakPolarHBondContact CD1-CD2 3.5Å; I53-F99 HydrophobicContact CG2-CE2 4.13Å; I53-F99 HydrophobicContact CG2-CZ 3.84Å |
| 54 | G | 97.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W48 G52 H56 I57 R58 | W48-G54 PolarHBondContact O-N 3.03Å; G52-G54 VanDerWaalsContact C-N 3.26Å; G52-G54 PolarHBondContact O-N 3.16Å; G54-H56 VanDerWaalsContact C-N 3.33Å; G54-I57 PolarHBondContact O-N 2.67Å; G54-R58 WeakPolarHBondContact O-CG 3.31Å; G54-R58 PolarHBondContact O-N 2.69Å; G54-R58 VanDerWaalsContact O-N 3.12Å; G54-R58 PolarHBondContact O-NH1 3.44Å |
| 55 | K | 98 | Very high | 97.5 | Very high | 144 Ų | 144 | 72.2 Ų | 72.2 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 174.4 | -68 | 179.8 | -178.8 | 176 | 0 | 111.2 | G52 I53 R58 A59 | G52-K55 WeakPolarHBondContact O-CB 3.29Å; G52-K55 PolarHBondContact O-N 3.09Å; G52-K55 VanDerWaalsContact O-N 3.13Å; I53-K55 PolarHBondContact O-N 2.99Å; K55-R58 PolarHBondContact O-N 2.93Å; K55-A59 PolarHBondContact O-N 2.52Å |
| 56 | H | 98.5 | Very high | 97.6 | Very high | 39 Ų | 39 | 70.8 Ų | 70.8 | 18% | 0.181 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 178.3 | -162.1 | 94.9 | 0 | 0 | 0 | 112.1 | G52 I53 G54 R58 A59 I60 L65 Q68 F99 | G52-H56 PolarHBondContact O-N 2.77Å; I53-H56 WeakPolarHBondContact O-CB 3.38Å; I53-H56 PolarHBondContact O-N 3.28Å; G54-H56 VanDerWaalsContact C-N 3.33Å; H56-R58 VanDerWaalsContact C-N 3.26Å; H56-R58 PolarHBondContact O-N 3.12Å; H56-A59 WeakPolarHBondContact O-CB 3.43Å; H56-A59 PolarHBondContact O-N 2.88Å; H56-I60 VanDerWaalsContact CD2-CD1 3.46Å; H56-I60 WeakPolarHBondContact CD2-CD1 3.44Å; H56-I60 WeakPolarHBondContact O-CG1 3.45Å; H56-I60 PolarHBondContact O-N 3.13Å; H56-L65 VanDerWaalsContact CE1-CD1 3.5Å; H56-L65 WeakPolarHBondContact CE1-CD1 3.4Å; H56-Q68 PolarHBondContact CE1-OE1 3.06Å; H56-F99 HydrophobicContact CB-CE2 3.84Å; H56-F99 HydrophobicContact CB-CZ 3.99Å; H56-F99 AromaticContact CD2-CD1 3.56Å; H56-F99 AromaticContact CD2-CD2 3.36Å; H56-F99 WeakPolarHBondContact CD2-CD2 3.35Å; H56-F99 AromaticContact CD2-CE1 3.58Å; H56-F99 AromaticContact CD2-CE2 3.38Å; H56-F99 WeakPolarHBondContact CD2-CE2 3.34Å; H56-F99 AromaticContact CD2-CG 3.46Å; H56-F99 VanDerWaalsContact CD2-CG 3.46Å; H56-F99 WeakPolarHBondContact CD2-CG 3.36Å; H56-F99 AromaticContact CD2-CZ 3.49Å; H56-F99 VanDerWaalsContact CD2-CZ 3.49Å; H56-F99 WeakPolarHBondContact CD2-CZ 3.35Å; H56-F99 AromaticContact CG-CD2 3.89Å; H56-F99 AromaticContact CG-CE2 3.66Å; H56-F99 AromaticContact CG-CZ 3.99Å; H56-F99 AromaticContact NE2-CD1 3.9Å; H56-F99 AromaticContact NE2-CD2 3.64Å; H56-F99 AromaticContact NE2-CG 3.51Å |
| 57 | I | 97.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 71.9 Ų | 71.9 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 174.7 | -67.7 | 168.5 | 0 | 0 | 0 | 111.1 | W48 I53 G54 I60 K61 F99 | W48-I57 HydrophobicContact CE3-CD1 3.79Å; W48-I57 HydrophobicContact CZ3-CD1 3.77Å; I53-I57 HydrophobicContact CG2-CD1 3.98Å; I53-I57 HydrophobicContact CG2-CG1 4.48Å; I53-I57 WeakPolarHBondContact O-CG1 3.35Å; I53-I57 PolarHBondContact O-N 3.17Å; G54-I57 PolarHBondContact O-N 2.67Å; I57-I60 PolarHBondContact O-N 3.47Å; I57-K61 HydrophobicContact CG2-CD 4.2Å; I57-K61 WeakPolarHBondContact O-CG 3.08Å; I57-K61 PolarHBondContact O-N 3.32Å; I57-F99 HydrophobicContact CG1-CE1 3.97Å; I57-F99 HydrophobicContact CG1-CZ 3.84Å |
| 58 | R | 97.7 | Very high | 97.6 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.2 | -73 | -173.8 | -72.3 | -84.1 | 7.5 | 112.2 | E49 G54 K55 H56 K61 R62 | E49-R58 IonicContact OE1-CZ 3.52Å; E49-R58 IonicContact OE1-NH1 3.12Å; E49-R58 PolarHBondContact OE1-NH1 2.91Å; E49-R58 IonicContact OE1-NH2 3.87Å; E49-R58 IonicContact OE2-CZ 3.47Å; E49-R58 IonicContact OE2-NH1 3.71Å; E49-R58 PolarHBondContact OE2-NH1 3.18Å; E49-R58 IonicContact OE2-NH2 3.6Å; E49-R58 PolarHBondContact OE2-NH2 3.17Å; G54-R58 WeakPolarHBondContact O-CG 3.31Å; G54-R58 PolarHBondContact O-N 2.69Å; G54-R58 VanDerWaalsContact O-N 3.12Å; G54-R58 PolarHBondContact O-NH1 3.44Å; K55-R58 PolarHBondContact O-N 2.93Å; H56-R58 VanDerWaalsContact C-N 3.26Å; H56-R58 PolarHBondContact O-N 3.12Å; R58-K61 PolarHBondContact O-N 2.77Å; R58-R62 WeakPolarHBondContact O-CG 3.32Å; R58-R62 PolarHBondContact O-N 3.39Å; R58-R62 VanDerWaalsContact O-N 3.16Å; R58-R62 PolarHBondContact O-NH1 2.98Å |
| 59 | A | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K55 H56 K61 R62 G63 E64 L65 | K55-A59 PolarHBondContact O-N 2.52Å; H56-A59 WeakPolarHBondContact O-CB 3.43Å; H56-A59 PolarHBondContact O-N 2.88Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 3.22Å; A59-R62 PolarHBondContact O-N 2.95Å; A59-R62 VanDerWaalsContact O-N 3.12Å; A59-G63 PolarHBondContact O-N 3.25Å; A59-E64 WeakPolarHBondContact CA-OE2 3.35Å; A59-E64 HydrophobicContact CB-CB 4.34Å; A59-E64 VanDerWaalsContact CB-OE2 3.31Å; A59-E64 WeakPolarHBondContact CB-OE2 3.4Å; A59-E64 PolarHBondContact O-N 3.14Å; A59-L65 HydrophobicContact CB-CD1 3.57Å; A59-L65 HydrophobicContact CB-CG 3.99Å |
| 60 | I | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 172.2 | -68.6 | 168.2 | 0 | 0 | 0 | 111.1 | H56 I57 R62 G63 L65 Q68 F99 W153 P155 | H56-I60 VanDerWaalsContact CD2-CD1 3.46Å; H56-I60 WeakPolarHBondContact CD2-CD1 3.44Å; H56-I60 WeakPolarHBondContact O-CG1 3.45Å; H56-I60 PolarHBondContact O-N 3.13Å; I57-I60 PolarHBondContact O-N 3.47Å; I60-R62 PolarHBondContact O-N 3.47Å; I60-G63 WeakPolarHBondContact O-CA 3.5Å; I60-G63 PolarHBondContact O-N 2.97Å; I60-L65 HydrophobicContact CG1-CB 4.08Å; I60-Q68 VanDerWaalsContact CD1-O 3.25Å; I60-Q68 WeakPolarHBondContact CD1-O 3.37Å; I60-F99 HydrophobicContact CD1-CD1 3.61Å; I60-F99 HydrophobicContact CD1-CE1 3.66Å; I60-W153 HydrophobicContact CG2-CZ3 4.22Å; I60-P155 HydrophobicContact CG2-CB 4.46Å; I60-P155 HydrophobicContact CG2-CG 3.75Å |
| 61 | K | 96 | Very high | 97.7 | Very high | 139 Ų | 139 | 57.9 Ų | 57.9 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -24.1 | 179.3 | -75.4 | 177.2 | 178.3 | 179.5 | 0 | 113.7 | I57 R58 A59 G63 W153 | I57-K61 HydrophobicContact CG2-CD 4.2Å; I57-K61 WeakPolarHBondContact O-CG 3.08Å; I57-K61 PolarHBondContact O-N 3.32Å; R58-K61 PolarHBondContact O-N 2.77Å; A59-K61 VanDerWaalsContact C-N 3.34Å; A59-K61 PolarHBondContact O-N 3.22Å; K61-G63 VanDerWaalsContact C-N 3.3Å; K61-W153 HydrophobicContact CG-CH2 4.13Å |
| 62 | R | 96.2 | Very high | 97.8 | Very high | 147 Ų | 147 | 53.5 Ų | 53.5 | 56% | 0.555 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3 | 172.4 | -68.9 | -171.5 | -56.5 | -90.4 | -4.3 | 113.2 | R58 A59 I60 E64 | R58-R62 WeakPolarHBondContact O-CG 3.32Å; R58-R62 PolarHBondContact O-N 3.39Å; R58-R62 VanDerWaalsContact O-N 3.16Å; R58-R62 PolarHBondContact O-NH1 2.98Å; A59-R62 PolarHBondContact O-N 2.95Å; A59-R62 VanDerWaalsContact O-N 3.12Å; I60-R62 PolarHBondContact O-N 3.47Å; R62-E64 VanDerWaalsContact C-N 3.34Å; R62-E64 HydrophobicContact CB-CG 4.03Å; R62-E64 IonicContact CZ-OE1 2.84Å; R62-E64 IonicContact CZ-OE2 2.62Å; R62-E64 VanDerWaalsContact NE-CD 3.31Å; R62-E64 IonicContact NE-OE1 3.7Å; R62-E64 PolarHBondContact NE-OE1 2.89Å; R62-E64 IonicContact NE-OE2 3.84Å; R62-E64 PolarHBondContact NE-OE2 2.74Å; R62-E64 IonicContact NH2-OE1 3.33Å; R62-E64 PolarHBondContact NH2-OE1 3.44Å; R62-E64 IonicContact NH2-OE2 3.51Å; R62-E64 PolarHBondContact NH2-OE2 3.38Å |
| 63 | G | 95 | Very high | 97.9 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 54% | 0.536 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 12.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A59 I60 K61 | A59-G63 PolarHBondContact O-N 3.25Å; I60-G63 WeakPolarHBondContact O-CA 3.5Å; I60-G63 PolarHBondContact O-N 2.97Å; K61-G63 VanDerWaalsContact C-N 3.3Å |
| 64 | E | 97.6 | Very high | 97.9 | Very high | 114 Ų | 114 | 54.7 Ų | 54.7 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -78.2 | -23.6 | -173.7 | -65.7 | 166.9 | -177.3 | 0 | 0 | 113 | A59 R62 | A59-E64 WeakPolarHBondContact CA-OE2 3.35Å; A59-E64 HydrophobicContact CB-CB 4.34Å; A59-E64 VanDerWaalsContact CB-OE2 3.31Å; A59-E64 WeakPolarHBondContact CB-OE2 3.4Å; A59-E64 PolarHBondContact O-N 3.14Å; R62-E64 VanDerWaalsContact C-N 3.34Å; R62-E64 HydrophobicContact CB-CG 4.03Å; R62-E64 IonicContact CZ-OE1 2.84Å; R62-E64 IonicContact CZ-OE2 2.62Å; R62-E64 VanDerWaalsContact NE-CD 3.31Å; R62-E64 IonicContact NE-OE1 3.7Å; R62-E64 PolarHBondContact NE-OE1 2.89Å; R62-E64 IonicContact NE-OE2 3.84Å; R62-E64 PolarHBondContact NE-OE2 2.74Å; R62-E64 IonicContact NH2-OE1 3.33Å; R62-E64 PolarHBondContact NH2-OE1 3.44Å; R62-E64 IonicContact NH2-OE2 3.51Å; R62-E64 PolarHBondContact NH2-OE2 3.38Å |
| 65 | L | 97.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 56 Ų | 56 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | trans | -128.9 | 61.2 | -168.8 | -61.6 | 178.8 | 0 | 0 | 0 | 111.8 | H56 A59 I60 E67 Q68 S69 | H56-L65 VanDerWaalsContact CE1-CD1 3.5Å; H56-L65 WeakPolarHBondContact CE1-CD1 3.4Å; A59-L65 HydrophobicContact CB-CD1 3.57Å; A59-L65 HydrophobicContact CB-CG 3.99Å; I60-L65 HydrophobicContact CG1-CB 4.08Å; L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.41Å; L65-Q68 CarbonylContact O-C 3.49Å; L65-Q68 PolarHBondContact O-N 3.26Å; L65-S69 WeakPolarHBondContact O-CB 3.25Å; L65-S69 PolarHBondContact O-N 2.73Å; L65-S69 VanDerWaalsContact O-N 3.08Å | ||
| 66 | Y | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -56.2 | -47.8 | 179.7 | 175 | -97 | 0 | 0 | 0 | 112.3 | Q68 S69 H101 P102 S158 R161 | Y66-Q68 PolarHBondContact O-N 2.96Å; Y66-S69 WeakPolarHBondContact O-CB 3.32Å; Y66-S69 PolarHBondContact O-N 3.48Å; Y66-S69 PolarHBondContact O-OG 3.48Å; Y66-H101 AromaticContact CE1-NE2 3.58Å; Y66-P102 HydrophobicContact CD2-CG 4.23Å; Y66-P102 HydrophobicContact CE1-CG 4.28Å; Y66-P102 HydrophobicContact CE2-CB 4.29Å; Y66-P102 HydrophobicContact CE2-CG 3.85Å; Y66-P102 WeakPolarHBondContact O-CD 3.2Å; Y66-P102 WeakPolarHBondContact O-CG 3.44Å; Y66-S158 WeakPolarHBondContact CD2-OG 3.45Å; Y66-R161 VanDerWaalsContact CE1-CZ 3.49Å; Y66-R161 VanDerWaalsContact CE1-NH1 3.3Å; Y66-R161 HydrophobicContact CE2-CB 4.1Å; Y66-R161 HydrophobicContact CE2-CG 4.1Å; Y66-R161 VanDerWaalsContact CG-NH1 3.28Å |
| 67 | E | 98.4 | Very high | 97.6 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -62.7 | -14.1 | -175.7 | -59.2 | -63.4 | 138.3 | 0 | 0 | 114 | L65 H101 | L65-E67 VanDerWaalsContact C-N 3.34Å; L65-E67 PolarHBondContact O-N 3.41Å; E67-H101 WeakPolarHBondContact O-CA 3.41Å; E67-H101 PolarHBondContact O-N 2.86Å; E67-H101 IonicContact OE1-NE2 3.3Å; E67-H101 IonicContact OE2-CD2 2.72Å; E67-H101 PolarHBondContact OE2-CD2 2.74Å; E67-H101 IonicContact OE2-NE2 3.38Å; E67-H101 PolarHBondContact OE2-NE2 2.76Å; E67-H101 VanDerWaalsContact OE2-NE2 3.12Å |
| 68 | Q | 98.3 | Very high | 97.4 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -126.4 | 18.5 | 179.7 | -66.7 | 174.5 | -20.1 | 0 | 0 | 111.2 | H56 I60 L65 Y66 A70 F99 L100 | H56-Q68 PolarHBondContact CE1-OE1 3.06Å; I60-Q68 VanDerWaalsContact CD1-O 3.25Å; I60-Q68 WeakPolarHBondContact CD1-O 3.37Å; L65-Q68 CarbonylContact O-C 3.49Å; L65-Q68 PolarHBondContact O-N 3.26Å; Y66-Q68 PolarHBondContact O-N 2.96Å; Q68-A70 VanDerWaalsContact C-N 3.33Å; Q68-A70 PolarHBondContact O-N 2.69Å; Q68-F99 HydrophobicContact CB-CB 4.22Å; Q68-L100 CarbonylContact C-O 3.09Å; Q68-L100 VanDerWaalsContact C-O 3.27Å; Q68-L100 WeakPolarHBondContact CA-O 3.27Å |
| 69 | S | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | trans | -79.1 | -10.6 | -171.4 | 59.3 | 0 | 0 | 0 | 0 | 115 | L65 Y66 H71 L100 P102 P155 S158 | L65-S69 WeakPolarHBondContact O-CB 3.25Å; L65-S69 PolarHBondContact O-N 2.73Å; L65-S69 VanDerWaalsContact O-N 3.08Å; Y66-S69 WeakPolarHBondContact O-CB 3.32Å; Y66-S69 PolarHBondContact O-N 3.48Å; Y66-S69 PolarHBondContact O-OG 3.48Å; S69-H71 PolarHBondContact O-N 2.88Å; S69-L100 PolarHBondContact N-O 2.98Å; S69-P102 WeakPolarHBondContact OG-CG 3.12Å; S69-P155 WeakPolarHBondContact O-CD 3.39Å; S69-S158 PolarHBondContact OG-OG 2.99Å | ||
| 70 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 108 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q68 A72 F99 L100 I104 I152 L154 | Q68-A70 VanDerWaalsContact C-N 3.33Å; Q68-A70 PolarHBondContact O-N 2.69Å; A70-A72 PolarHBondContact O-N 3.33Å; A70-F99 CarbonylContact O-C 3.57Å; A70-F99 WeakPolarHBondContact O-CA 3.28Å; A70-L100 HydrophobicContact CB-CB 3.98Å; A70-L100 VanDerWaalsContact CB-O 3.3Å; A70-L100 WeakPolarHBondContact CB-O 3.34Å; A70-L100 PolarHBondContact N-O 3.47Å; A70-L100 PolarHBondContact O-N 3.08Å; A70-I104 HydrophobicContact CB-CG2 3.8Å; A70-I152 HydrophobicContact CB-CG2 3.9Å; A70-L154 VanDerWaalsContact CA-CD2 3.49Å; A70-L154 HydrophobicContact CB-CD2 3.72Å; A70-L154 HydrophobicContact CB-CG 4.43Å |
| 71 | H | 98.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 106.1 | 176.7 | -175.2 | -159.8 | 0 | 0 | 0 | 110.1 | W48 S69 H96 F99 I152 W153 | W48-H71 AromaticContact CH2-CE1 3.73Å; S69-H71 PolarHBondContact O-N 2.88Å; H71-H96 AromaticContact CD2-CE1 3.76Å; H71-H96 AromaticContact CD2-ND1 3.34Å; H71-H96 PolarHBondContact CD2-ND1 3.25Å; H71-H96 VanDerWaalsContact CD2-ND1 3.34Å; H71-H96 AromaticContact NE2-CE1 3.65Å; H71-H96 AromaticContact NE2-CG 3.83Å; H71-H96 AromaticContact NE2-ND1 2.94Å; H71-H96 PolarHBondContact NE2-ND1 3.44Å; H71-F99 HydrophobicContact CB-CD1 4.14Å; H71-F99 HydrophobicContact CB-CE1 3.95Å; H71-F99 AromaticContact CD2-CD1 3.91Å; H71-F99 AromaticContact CD2-CE1 3.4Å; H71-F99 VanDerWaalsContact CD2-CE1 3.4Å; H71-F99 WeakPolarHBondContact CD2-CE1 3.43Å; H71-F99 AromaticContact CD2-CZ 3.93Å; H71-F99 AromaticContact CG-CE1 3.71Å; H71-F99 AromaticContact NE2-CE1 3.98Å; H71-I152 WeakPolarHBondContact O-CA 3.49Å; H71-W153 HydrophobicContact CB-CB 4.49Å; H71-W153 HydrophobicContact CB-CE3 4.43Å; H71-W153 PolarHBondContact N-O 2.73Å; H71-W153 PolarHBondContact O-N 3.47Å |
| 72 | A | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A70 S97 E98 L100 L151 | A70-A72 PolarHBondContact O-N 3.33Å; A72-S97 PolarHBondContact O-N 3.31Å; A72-E98 HydrophobicContact CB-CG 4.06Å; A72-E98 PolarHBondContact N-O 2.92Å; A72-E98 PolarHBondContact O-N 2.82Å; A72-L100 HydrophobicContact CB-CD1 3.93Å; A72-L151 CarbonylContact C-O 3.59Å; A72-L151 WeakPolarHBondContact CA-O 3.21Å |
| 73 | L | 98.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124.4 | -179 | -54.3 | 169.7 | 0 | 0 | 0 | 109.8 | W48 T94 V95 H96 R150 L151 | W48-L73 HydrophobicContact CH2-CD2 4.45Å; W48-L73 HydrophobicContact CZ2-CD2 4.18Å; L73-T94 HydrophobicContact CB-CG2 4.33Å; L73-V95 CarbonylContact C-O 3.3Å; L73-V95 WeakPolarHBondContact CA-O 3.15Å; L73-H96 HydrophobicContact CD2-CB 4.23Å; L73-R150 CarbonylContact O-C 3.47Å; L73-R150 VanDerWaalsContact O-CA 3.22Å; L73-R150 WeakPolarHBondContact O-CA 3.49Å; L73-R150 WeakPolarHBondContact O-CB 3.33Å; L73-L151 HydrophobicContact CB-CB 4.29Å; L73-L151 PolarHBondContact N-O 3.12Å; L73-L151 PolarHBondContact O-N 3.33Å |
| 74 | D | 98.6 | Very high | 93.5 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.4 | 175.2 | -67.7 | -49.5 | 0 | 0 | 0 | 110.5 | L76 T94 V95 S97 R150 | D74-L76 PolarHBondContact O-N 3.5Å; D74-T94 CarbonylContact O-C 3.6Å; D74-T94 WeakPolarHBondContact O-CA 3.32Å; D74-T94 WeakPolarHBondContact O-CB 3.48Å; D74-V95 HydrophobicContact CB-CG1 3.86Å; D74-V95 PolarHBondContact N-O 2.9Å; D74-V95 PolarHBondContact O-N 2.79Å; D74-S97 WeakPolarHBondContact OD2-CB 3.44Å; D74-S97 PolarHBondContact OD2-OG 2.81Å; D74-R150 WeakPolarHBondContact OD1-CD 3.36Å; D74-R150 VanDerWaalsContact OD1-CG 3.26Å; D74-R150 WeakPolarHBondContact OD1-CG 3.49Å |
| 75 | V | 98.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 36 Ų | 36 | 20% | 0.2 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.5 | 178.7 | 176.3 | 0 | 0 | 0 | 0 | 110 | F92 T94 T148 R149 L151 | V75-F92 HydrophobicContact CG1-CD1 3.82Å; V75-F92 HydrophobicContact CG2-CD1 3.88Å; V75-F92 HydrophobicContact CG2-CE1 4.41Å; V75-T94 HydrophobicContact CG2-CG2 4.23Å; V75-T148 HydrophobicContact CG2-CG2 3.98Å; V75-R149 WeakPolarHBondContact CB-O 3.32Å; V75-R149 PolarHBondContact N-O 3.47Å; V75-L151 HydrophobicContact CG2-CD2 4.08Å; V75-L151 HydrophobicContact CG2-CG 3.9Å |
| 76 | L | 96.3 | Very high | 92.4 | Very high | 95 Ų | 95 | 35.4 Ų | 35.4 | 50% | 0.497 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -39.8 | 172.1 | -56.6 | 179.6 | 0 | 0 | 0 | 111 | W40 D74 L93 V95 | W40-L76 HydrophobicContact CH2-CD1 4.46Å; W40-L76 HydrophobicContact CZ2-CD1 3.86Å; D74-L76 PolarHBondContact O-N 3.5Å; L76-L93 HydrophobicContact CB-CB 4.5Å; L76-L93 HydrophobicContact CB-CD2 4.43Å; L76-L93 WeakPolarHBondContact CB-O 3.22Å; L76-L93 HydrophobicContact CD1-CD2 4.42Å; L76-L93 HydrophobicContact CD1-CG 4.48Å; L76-L93 PolarHBondContact N-O 3.4Å; L76-V95 HydrophobicContact CD1-CB 4.4Å; L76-V95 HydrophobicContact CD2-CG1 4.09Å; L76-V95 HydrophobicContact CG-CG1 4.43Å |
| 77 | F | 93.9 | Very high | 92.1 | Very high | 106 Ų | 106 | 33.9 Ų | 33.9 | 47% | 0.465 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 151.1 | -174.7 | -167.6 | -110.3 | 0 | 0 | 0 | 111.9 | L33 V79 F92 L93 | L33-F77 HydrophobicContact CD1-CD1 3.78Å; L33-F77 HydrophobicContact CD1-CE1 4.27Å; L33-F77 HydrophobicContact CD2-CD1 4.27Å; F77-V79 HydrophobicContact CD1-CG2 3.99Å; F77-V79 HydrophobicContact CE1-CB 4.07Å; F77-V79 HydrophobicContact CE1-CG2 3.12Å; F77-V79 HydrophobicContact CE2-CG2 4.48Å; F77-V79 HydrophobicContact CZ-CG2 3.4Å; F77-V79 VanDerWaalsContact CZ-CG2 3.4Å; F77-F92 CarbonylContact O-C 3.52Å; F77-F92 WeakPolarHBondContact O-CA 3.33Å; F77-L93 HydrophobicContact CB-CB 3.95Å; F77-L93 PolarHBondContact N-O 3.06Å; F77-L93 PolarHBondContact O-N 2.83Å |
| 78 | Y | 92.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 123.9 | 178.7 | 168.1 | -112.8 | 0 | 0 | 0 | 111.1 | R80 Q91 F92 G145 Y146 | Y78-R80 HydrophobicContact CE1-CG 4.24Å; Y78-R80 HydrophobicContact CE2-CG 3.9Å; Y78-R80 WeakPolarHBondContact OH-CD 3.38Å; Y78-R80 VanDerWaalsContact OH-CG 3.3Å; Y78-R80 WeakPolarHBondContact OH-CG 3.21Å; Y78-R80 PolarHBondContact OH-NE 3.11Å; Y78-Q91 WeakPolarHBondContact CA-O 3.19Å; Y78-Q91 HydrophobicContact CD2-CB 3.97Å; Y78-Q91 WeakPolarHBondContact CD2-O 3.42Å; Y78-Q91 HydrophobicContact CE2-CB 3.76Å; Y78-F92 AromaticContact CD2-CD1 3.62Å; Y78-F92 HydrophobicContact CD2-CD1 3.62Å; Y78-F92 HydrophobicContact CD2-CD2 4.19Å; Y78-F92 AromaticContact CD2-CE1 3.29Å; Y78-F92 HydrophobicContact CD2-CE1 3.29Å; Y78-F92 AromaticContact CD2-CE2 3.9Å; Y78-F92 HydrophobicContact CD2-CE2 3.9Å; Y78-F92 HydrophobicContact CD2-CG 4.07Å; Y78-F92 AromaticContact CD2-CZ 3.45Å; Y78-F92 HydrophobicContact CD2-CZ 3.45Å; Y78-F92 VanDerWaalsContact CD2-CZ 3.45Å; Y78-F92 AromaticContact CE2-CE1 3.92Å; Y78-F92 HydrophobicContact CE2-CE1 3.92Å; Y78-F92 AromaticContact CE2-CE2 3.94Å; Y78-F92 HydrophobicContact CE2-CE2 3.94Å; Y78-F92 AromaticContact CE2-CZ 3.58Å; Y78-F92 HydrophobicContact CE2-CZ 3.58Å; Y78-F92 HydrophobicContact CG-CD1 4.1Å; Y78-F92 AromaticContact CG-CE1 3.78Å; Y78-F92 HydrophobicContact CG-CE1 3.78Å; Y78-F92 HydrophobicContact CG-CZ 4.3Å; Y78-G145 VanDerWaalsContact CE1-C 3.48Å; Y78-Y146 AromaticContact CD1-CD1 3.79Å; Y78-Y146 HydrophobicContact CD1-CD1 3.79Å; Y78-Y146 AromaticContact CD1-CE1 3.91Å; Y78-Y146 HydrophobicContact CD1-CE1 3.91Å; Y78-Y146 HydrophobicContact CD1-CG 4.22Å; Y78-Y146 AromaticContact CE1-CD1 3.89Å; Y78-Y146 HydrophobicContact CE1-CD1 3.89Å; Y78-Y146 HydrophobicContact CE1-CD2 4.06Å; Y78-Y146 AromaticContact CE1-CE1 3.85Å; Y78-Y146 HydrophobicContact CE1-CE1 3.85Å; Y78-Y146 HydrophobicContact CE1-CE2 4.02Å; Y78-Y146 AromaticContact CE1-CG 4Å; Y78-Y146 HydrophobicContact CE1-CG 4Å; Y78-Y146 AromaticContact CE1-CZ 3.92Å |
| 79 | V | 90.3 | Very high | 91.6 | Very high | 23 Ų | 23 | 29.3 Ų | 29.3 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | trans | -142.5 | 146.8 | 172.5 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | Y30 L33 F77 Q91 | Y30-V79 HydrophobicContact CD2-CG1 4.46Å; L33-V79 HydrophobicContact CD2-CB 3.7Å; F77-V79 HydrophobicContact CD1-CG2 3.99Å; F77-V79 HydrophobicContact CE1-CB 4.07Å; F77-V79 HydrophobicContact CE1-CG2 3.12Å; F77-V79 HydrophobicContact CE2-CG2 4.48Å; F77-V79 HydrophobicContact CZ-CG2 3.4Å; F77-V79 VanDerWaalsContact CZ-CG2 3.4Å; V79-Q91 PolarHBondContact N-O 2.84Å; V79-Q91 WeakPolarHBondContact O-CA 3.23Å; V79-Q91 VanDerWaalsContact O-CB 3.31Å; V79-Q91 WeakPolarHBondContact O-CB 3.41Å | ||
| 80 | R | 86.9 | Confident | 91.4 | Very high | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | trans | -112.8 | 146.5 | 175.1 | -56.9 | 175.5 | 111 | -142.5 | -117.4 | 110.9 | Y78 V82 P83 D85 Q91 W141 | Y78-R80 HydrophobicContact CE1-CG 4.24Å; Y78-R80 HydrophobicContact CE2-CG 3.9Å; Y78-R80 WeakPolarHBondContact OH-CD 3.38Å; Y78-R80 VanDerWaalsContact OH-CG 3.3Å; Y78-R80 WeakPolarHBondContact OH-CG 3.21Å; Y78-R80 PolarHBondContact OH-NE 3.11Å; R80-V82 PolarHBondContact NH2-O 3.04Å; R80-P83 PolarHBondContact NH2-O 3.27Å; R80-D85 PolarHBondContact NH1-O 3.29Å; R80-D85 PolarHBondContact NH2-O 3.49Å; R80-Q91 HydrophobicContact CG-CG 4.5Å; R80-W141 PolarHBondContact NH1-O 3.45Å | ||
| 81 | A | 83.9 | Confident | 91.1 | Very high | 13 Ų | 13 | 30 Ų | 30 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -62.8 | -46.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y30 | Y30-A81 HydrophobicContact CD1-CB 3.46Å; Y30-A81 VanDerWaalsContact CD1-CB 3.46Å; Y30-A81 HydrophobicContact CD2-CB 3.85Å; Y30-A81 HydrophobicContact CE1-CB 3.67Å; Y30-A81 HydrophobicContact CE2-CB 4.01Å; Y30-A81 HydrophobicContact CG-CB 3.54Å |
| 82 | V | 82 | Confident | 91 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -139.2 | 149.3 | -179.7 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | R80 T84 D85 I294 | R80-V82 PolarHBondContact NH2-O 3.04Å; V82-T84 PolarHBondContact O-N 2.88Å; V82-D85 HydrophobicContact CG2-CB 3.93Å; V82-D85 WeakPolarHBondContact O-CB 3.48Å; V82-D85 PolarHBondContact O-N 2.97Å; V82-D85 VanDerWaalsContact O-N 3.12Å; V82-I294 HydrophobicContact CB-CG2 3.91Å; V82-I294 HydrophobicContact CG1-CG2 3.43Å; V82-I294 VanDerWaalsContact CG1-CG2 3.43Å |
| 83 | P | 78.3 | Confident | 90.9 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.2 | 177.2 | -26.1 | 35.3 | 0 | 0 | 0 | 114.2 | I22 H23 L26 R80 W141 M142 | I22-P83 HydrophobicContact CG2-CG 4.15Å; H23-P83 VanDerWaalsContact ND1-CD 3.26Å; H23-P83 WeakPolarHBondContact ND1-CD 3.36Å; L26-P83 HydrophobicContact CD1-CG 3.93Å; R80-P83 PolarHBondContact NH2-O 3.27Å; P83-W141 WeakPolarHBondContact O-CH2 3.44Å; P83-W141 WeakPolarHBondContact O-CZ3 3.34Å; P83-M142 HydrophobicContact CB-CE 4.23Å |
| 84 | T | 79.3 | Confident | 90.8 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -0.3 | -178.4 | 52.4 | 0 | 0 | 0 | 0 | 116 | V82 W141 F295 | V82-T84 PolarHBondContact O-N 2.88Å; T84-W141 VanDerWaalsContact C-CZ3 3.46Å; T84-W141 VanDerWaalsContact CA-CH2 3.43Å; T84-W141 HydrophobicContact CG2-CH2 4.12Å; T84-F295 HydrophobicContact CG2-CB 4.29Å; T84-F295 WeakPolarHBondContact OG1-CB 3.42Å |
| 85 | D | 83.2 | Confident | 90.8 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 149.4 | 179.3 | -165.1 | 8.9 | 0 | 0 | 0 | 111.1 | R80 V82 R88 Q91 | R80-D85 PolarHBondContact NH1-O 3.29Å; R80-D85 PolarHBondContact NH2-O 3.49Å; V82-D85 HydrophobicContact CG2-CB 3.93Å; V82-D85 WeakPolarHBondContact O-CB 3.48Å; V82-D85 PolarHBondContact O-N 2.97Å; V82-D85 VanDerWaalsContact O-N 3.12Å; D85-R88 IonicContact OD1-CZ 3.7Å; D85-R88 IonicContact OD1-NE 2.73Å; D85-R88 PolarHBondContact OD1-NE 3.42Å; D85-R88 IonicContact OD1-NH2 3.12Å; D85-R88 PolarHBondContact OD1-NH2 3.46Å; D85-R88 IonicContact OD2-CZ 2.69Å; D85-R88 IonicContact OD2-NE 2.88Å; D85-R88 PolarHBondContact OD2-NE 2.99Å; D85-R88 IonicContact OD2-NH2 2.93Å; D85-R88 PolarHBondContact OD2-NH2 2.8Å; D85-Q91 PolarHBondContact OD2-NE2 2.95Å |
| 86 | K | 87.9 | Confident | 90.8 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 18% | 0.183 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 155.1 | 172.9 | 70.1 | 165.2 | -170.6 | 153 | 0 | 109.4 | R88 Q91 D114 M211 | K86-R88 PolarHBondContact O-N 3.38Å; K86-Q91 PolarHBondContact O-NE2 3.32Å; K86-Q91 PolarHBondContact O-OE1 3.35Å; K86-D114 IonicContact NZ-OD1 3.75Å; K86-D114 PolarHBondContact NZ-OD1 3.05Å; K86-D114 IonicContact NZ-OD2 3.12Å; K86-D114 PolarHBondContact NZ-OD2 3Å; K86-M211 HydrophobicContact CB-CB 4.13Å; K86-M211 HydrophobicContact CB-CE 3.85Å; K86-M211 HydrophobicContact CB-SD 4.28Å |
| 87 | V | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 131.4 | 171.6 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | F92 A113 L123 W141 V144 P208 | V87-F92 HydrophobicContact CG1-CE2 3.94Å; V87-F92 HydrophobicContact CG1-CZ 4.17Å; V87-A113 HydrophobicContact CB-CB 4.41Å; V87-A113 HydrophobicContact CG1-CB 4.18Å; V87-L123 HydrophobicContact CG1-CD1 4.13Å; V87-L123 HydrophobicContact CG1-CD2 4.32Å; V87-W141 WeakPolarHBondContact CG2-O 3.32Å; V87-V144 HydrophobicContact CG2-CG2 4.25Å; V87-P208 HydrophobicContact CB-CB 4.17Å; V87-P208 HydrophobicContact CG2-CB 3.95Å |
| 88 | R | 93.3 | Very high | 91.1 | Very high | 48 Ų | 48 | 27 Ų | 27 | 18% | 0.181 | 15% | 0.145 | C | C | . | . | trans | -155.8 | 157.6 | 178.2 | 47.8 | -179.9 | 171.2 | 163.2 | 0 | 111.5 | D85 K86 S90 Q91 F92 D114 | D85-R88 IonicContact OD1-CZ 3.7Å; D85-R88 IonicContact OD1-NE 2.73Å; D85-R88 PolarHBondContact OD1-NE 3.42Å; D85-R88 IonicContact OD1-NH2 3.12Å; D85-R88 PolarHBondContact OD1-NH2 3.46Å; D85-R88 IonicContact OD2-CZ 2.69Å; D85-R88 IonicContact OD2-NE 2.88Å; D85-R88 PolarHBondContact OD2-NE 2.99Å; D85-R88 IonicContact OD2-NH2 2.93Å; D85-R88 PolarHBondContact OD2-NH2 2.8Å; K86-R88 PolarHBondContact O-N 3.38Å; R88-S90 WeakPolarHBondContact CD-OG 3.32Å; R88-S90 PolarHBondContact O-N 2.97Å; R88-S90 VanDerWaalsContact O-N 3.1Å; R88-Q91 HydrophobicContact CG-CG 4.04Å; R88-Q91 WeakPolarHBondContact O-CB 3.39Å; R88-Q91 PolarHBondContact O-N 2.88Å; R88-F92 WeakPolarHBondContact O-CD2 3.49Å; R88-D114 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 89 | N | 94.6 | Very high | 91.4 | Very high | 64 Ų | 64 | 28 Ų | 28 | 34% | 0.342 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -55.6 | -31.6 | -177.9 | -173.8 | 38.2 | 0 | 0 | 0 | 113.4 | Q91 F92 L121 L151 | N89-Q91 PolarHBondContact O-N 2.92Å; N89-Q91 VanDerWaalsContact O-N 3.08Å; N89-F92 PolarHBondContact O-N 3.43Å; N89-F92 VanDerWaalsContact O-N 3.12Å; N89-L121 HydrophobicContact CB-CD2 4.26Å; N89-L151 WeakPolarHBondContact OD1-CD1 3.5Å |
| 90 | S | 92.7 | Very high | 91.8 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -65.7 | -11.7 | -179.7 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | Q34 R88 F92 | Q34-S90 PolarHBondContact NE2-O 2.77Å; R88-S90 WeakPolarHBondContact CD-OG 3.32Å; R88-S90 PolarHBondContact O-N 2.97Å; R88-S90 VanDerWaalsContact O-N 3.1Å; S90-F92 VanDerWaalsContact C-N 3.35Å |
| 91 | Q | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -87.6 | -7.4 | 177.6 | -66.8 | 170.3 | -20.9 | 0 | 0 | 113 | Y30 Y78 V79 R80 D85 K86 R88 N89 | Y30-Q91 HydrophobicContact CE2-CG 4.49Å; Y78-Q91 WeakPolarHBondContact CA-O 3.19Å; Y78-Q91 HydrophobicContact CD2-CB 3.97Å; Y78-Q91 WeakPolarHBondContact CD2-O 3.42Å; Y78-Q91 HydrophobicContact CE2-CB 3.76Å; V79-Q91 PolarHBondContact N-O 2.84Å; V79-Q91 WeakPolarHBondContact O-CA 3.23Å; V79-Q91 VanDerWaalsContact O-CB 3.31Å; V79-Q91 WeakPolarHBondContact O-CB 3.41Å; R80-Q91 HydrophobicContact CG-CG 4.5Å; D85-Q91 PolarHBondContact OD2-NE2 2.95Å; K86-Q91 PolarHBondContact O-NE2 3.32Å; K86-Q91 PolarHBondContact O-OE1 3.35Å; R88-Q91 HydrophobicContact CG-CG 4.04Å; R88-Q91 WeakPolarHBondContact O-CB 3.39Å; R88-Q91 PolarHBondContact O-N 2.88Å; N89-Q91 PolarHBondContact O-N 2.92Å; N89-Q91 VanDerWaalsContact O-N 3.08Å |
| 92 | F | 95.7 | Very high | 93 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.6 | -176.2 | -59.4 | -94.2 | 0 | 0 | 0 | 110.6 | V75 F77 Y78 V87 R88 N89 S90 T94 L123 T148 L151 | V75-F92 HydrophobicContact CG1-CD1 3.82Å; V75-F92 HydrophobicContact CG2-CD1 3.88Å; V75-F92 HydrophobicContact CG2-CE1 4.41Å; F77-F92 CarbonylContact O-C 3.52Å; F77-F92 WeakPolarHBondContact O-CA 3.33Å; Y78-F92 AromaticContact CD2-CD1 3.62Å; Y78-F92 HydrophobicContact CD2-CD1 3.62Å; Y78-F92 HydrophobicContact CD2-CD2 4.19Å; Y78-F92 AromaticContact CD2-CE1 3.29Å; Y78-F92 HydrophobicContact CD2-CE1 3.29Å; Y78-F92 AromaticContact CD2-CE2 3.9Å; Y78-F92 HydrophobicContact CD2-CE2 3.9Å; Y78-F92 HydrophobicContact CD2-CG 4.07Å; Y78-F92 AromaticContact CD2-CZ 3.45Å; Y78-F92 HydrophobicContact CD2-CZ 3.45Å; Y78-F92 VanDerWaalsContact CD2-CZ 3.45Å; Y78-F92 AromaticContact CE2-CE1 3.92Å; Y78-F92 HydrophobicContact CE2-CE1 3.92Å; Y78-F92 AromaticContact CE2-CE2 3.94Å; Y78-F92 HydrophobicContact CE2-CE2 3.94Å; Y78-F92 AromaticContact CE2-CZ 3.58Å; Y78-F92 HydrophobicContact CE2-CZ 3.58Å; Y78-F92 HydrophobicContact CG-CD1 4.1Å; Y78-F92 AromaticContact CG-CE1 3.78Å; Y78-F92 HydrophobicContact CG-CE1 3.78Å; Y78-F92 HydrophobicContact CG-CZ 4.3Å; V87-F92 HydrophobicContact CG1-CE2 3.94Å; V87-F92 HydrophobicContact CG1-CZ 4.17Å; R88-F92 WeakPolarHBondContact O-CD2 3.49Å; N89-F92 PolarHBondContact O-N 3.43Å; N89-F92 VanDerWaalsContact O-N 3.12Å; S90-F92 VanDerWaalsContact C-N 3.35Å; F92-T94 HydrophobicContact CB-CG2 3.75Å; F92-L123 HydrophobicContact CZ-CD2 4.23Å; F92-T148 HydrophobicContact CE1-CG2 4.26Å; F92-L151 HydrophobicContact CB-CD1 3.79Å; F92-L151 HydrophobicContact CD1-CD1 4.45Å; F92-L151 HydrophobicContact CD1-CD2 4.08Å; F92-L151 HydrophobicContact CD2-CD1 3.88Å; F92-L151 HydrophobicContact CD2-CD2 4.12Å; F92-L151 HydrophobicContact CE1-CD2 4.06Å; F92-L151 HydrophobicContact CE2-CD2 4.1Å; F92-L151 HydrophobicContact CG-CD1 3.8Å; F92-L151 HydrophobicContact CG-CD2 4.12Å; F92-L151 HydrophobicContact CG-CG 4.37Å; F92-L151 HydrophobicContact CZ-CD2 4.07Å |
| 93 | L | 96.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.6 | 159.7 | -166.6 | 73 | 0 | 0 | 0 | 106.9 | L33 V36 R37 W40 L76 F77 | L33-L93 HydrophobicContact CD1-CB 4.25Å; V36-L93 HydrophobicContact CG1-CD2 4.41Å; R37-L93 HydrophobicContact CB-CD1 4.24Å; R37-L93 HydrophobicContact CG-CD1 4.41Å; W40-L93 HydrophobicContact CB-CD1 3.81Å; W40-L93 HydrophobicContact CD2-CD1 4.45Å; W40-L93 HydrophobicContact CG-CD1 3.61Å; W40-L93 HydrophobicContact CG-CG 4.37Å; L76-L93 HydrophobicContact CB-CB 4.5Å; L76-L93 HydrophobicContact CB-CD2 4.43Å; L76-L93 WeakPolarHBondContact CB-O 3.22Å; L76-L93 HydrophobicContact CD1-CD2 4.42Å; L76-L93 HydrophobicContact CD1-CG 4.48Å; L76-L93 PolarHBondContact N-O 3.4Å; F77-L93 HydrophobicContact CB-CB 3.95Å; F77-L93 PolarHBondContact N-O 3.06Å; F77-L93 PolarHBondContact O-N 2.83Å |
| 94 | T | 97.8 | Very high | 94.8 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 7% | 0.074 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 159 | -171.2 | 60 | 0 | 0 | 0 | 0 | 112.5 | W40 Q44 L73 D74 V75 F92 L151 | W40-T94 PolarHBondContact NE1-O 2.84Å; Q44-T94 PolarHBondContact NE2-O 3.08Å; Q44-T94 PolarHBondContact OE1-O 3.34Å; L73-T94 HydrophobicContact CB-CG2 4.33Å; D74-T94 CarbonylContact O-C 3.6Å; D74-T94 WeakPolarHBondContact O-CA 3.32Å; D74-T94 WeakPolarHBondContact O-CB 3.48Å; V75-T94 HydrophobicContact CG2-CG2 4.23Å; F92-T94 HydrophobicContact CB-CG2 3.75Å; T94-L151 HydrophobicContact CG2-CD1 3.62Å; T94-L151 HydrophobicContact CG2-CG 4.04Å |
| 95 | V | 97.5 | Very high | 95.7 | Very high | 51 Ų | 51 | 32.8 Ų | 32.8 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.5 | 168.6 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | W40 L73 D74 L76 S97 | W40-V95 HydrophobicContact CZ2-CB 4.38Å; L73-V95 CarbonylContact C-O 3.3Å; L73-V95 WeakPolarHBondContact CA-O 3.15Å; D74-V95 HydrophobicContact CB-CG1 3.86Å; D74-V95 PolarHBondContact N-O 2.9Å; D74-V95 PolarHBondContact O-N 2.79Å; L76-V95 HydrophobicContact CD1-CB 4.4Å; L76-V95 HydrophobicContact CD2-CG1 4.09Å; L76-V95 HydrophobicContact CG-CG1 4.43Å; V95-S97 PolarHBondContact O-N 2.92Å |
| 96 | H | 98.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 132 | 173 | 171.7 | 59.7 | 0 | 0 | 0 | 110 | W48 I53 H71 L73 E98 F99 | W48-H96 HydrophobicContact CZ2-CB 4.11Å; I53-H96 WeakPolarHBondContact CD1-CD2 3.5Å; H71-H96 AromaticContact CD2-CE1 3.76Å; H71-H96 AromaticContact CD2-ND1 3.34Å; H71-H96 PolarHBondContact CD2-ND1 3.25Å; H71-H96 VanDerWaalsContact CD2-ND1 3.34Å; H71-H96 AromaticContact NE2-CE1 3.65Å; H71-H96 AromaticContact NE2-CG 3.83Å; H71-H96 AromaticContact NE2-ND1 2.94Å; H71-H96 PolarHBondContact NE2-ND1 3.44Å; L73-H96 HydrophobicContact CD2-CB 4.23Å; H96-E98 PolarHBondContact CE1-N 2.82Å; H96-F99 AromaticContact CE1-CD2 3.95Å; H96-F99 AromaticContact CE1-CE2 3.71Å; H96-F99 AromaticContact CE1-CZ 4Å |
| 97 | S | 98.2 | Very high | 96.9 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -67 | 176.1 | -158.5 | 0 | 0 | 0 | 0 | 109.3 | A72 D74 V95 | A72-S97 PolarHBondContact O-N 3.31Å; D74-S97 WeakPolarHBondContact OD2-CB 3.44Å; D74-S97 PolarHBondContact OD2-OG 2.81Å; V95-S97 PolarHBondContact O-N 2.92Å |
| 98 | E | 98.5 | Very high | 97.2 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 172.4 | -171.8 | 53.1 | -177.1 | 159.3 | 0 | 0 | 111.8 | A72 H96 L100 R150 | A72-E98 HydrophobicContact CB-CG 4.06Å; A72-E98 PolarHBondContact N-O 2.92Å; A72-E98 PolarHBondContact O-N 2.82Å; H96-E98 PolarHBondContact CE1-N 2.82Å; E98-L100 HydrophobicContact CG-CD1 4.13Å; E98-L100 HydrophobicContact CG-CD2 4.01Å; E98-L100 HydrophobicContact CG-CG 3.88Å; E98-L100 WeakPolarHBondContact OE2-CD2 3.32Å; E98-R150 IonicContact OE1-NH1 3.51Å; E98-R150 PolarHBondContact OE1-NH1 3.5Å |
| 99 | F | 98.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 18% | 0.18 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.3 | 167.1 | -67 | -72.1 | 0 | 0 | 0 | 109.3 | I53 H56 I57 I60 Q68 A70 H71 H96 | I53-F99 HydrophobicContact CG2-CE2 4.13Å; I53-F99 HydrophobicContact CG2-CZ 3.84Å; H56-F99 HydrophobicContact CB-CE2 3.84Å; H56-F99 HydrophobicContact CB-CZ 3.99Å; H56-F99 AromaticContact CD2-CD1 3.56Å; H56-F99 AromaticContact CD2-CD2 3.36Å; H56-F99 WeakPolarHBondContact CD2-CD2 3.35Å; H56-F99 AromaticContact CD2-CE1 3.58Å; H56-F99 AromaticContact CD2-CE2 3.38Å; H56-F99 WeakPolarHBondContact CD2-CE2 3.34Å; H56-F99 AromaticContact CD2-CG 3.46Å; H56-F99 VanDerWaalsContact CD2-CG 3.46Å; H56-F99 WeakPolarHBondContact CD2-CG 3.36Å; H56-F99 AromaticContact CD2-CZ 3.49Å; H56-F99 VanDerWaalsContact CD2-CZ 3.49Å; H56-F99 WeakPolarHBondContact CD2-CZ 3.35Å; H56-F99 AromaticContact CG-CD2 3.89Å; H56-F99 AromaticContact CG-CE2 3.66Å; H56-F99 AromaticContact CG-CZ 3.99Å; H56-F99 AromaticContact NE2-CD1 3.9Å; H56-F99 AromaticContact NE2-CD2 3.64Å; H56-F99 AromaticContact NE2-CG 3.51Å; I57-F99 HydrophobicContact CG1-CE1 3.97Å; I57-F99 HydrophobicContact CG1-CZ 3.84Å; I60-F99 HydrophobicContact CD1-CD1 3.61Å; I60-F99 HydrophobicContact CD1-CE1 3.66Å; Q68-F99 HydrophobicContact CB-CB 4.22Å; A70-F99 CarbonylContact O-C 3.57Å; A70-F99 WeakPolarHBondContact O-CA 3.28Å; H71-F99 HydrophobicContact CB-CD1 4.14Å; H71-F99 HydrophobicContact CB-CE1 3.95Å; H71-F99 AromaticContact CD2-CD1 3.91Å; H71-F99 AromaticContact CD2-CE1 3.4Å; H71-F99 VanDerWaalsContact CD2-CE1 3.4Å; H71-F99 WeakPolarHBondContact CD2-CE1 3.43Å; H71-F99 AromaticContact CD2-CZ 3.93Å; H71-F99 AromaticContact CG-CE1 3.71Å; H71-F99 AromaticContact NE2-CE1 3.98Å; H96-F99 AromaticContact CE1-CD2 3.95Å; H96-F99 AromaticContact CE1-CE2 3.71Å; H96-F99 AromaticContact CE1-CZ 4Å |
| 100 | L | 98.7 | Very high | 97.6 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 17% | 0.173 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 165.7 | -170.7 | -65.9 | 172.3 | 0 | 0 | 0 | 111.6 | Q68 S69 A70 A72 E98 I104 | Q68-L100 CarbonylContact C-O 3.09Å; Q68-L100 VanDerWaalsContact C-O 3.27Å; Q68-L100 WeakPolarHBondContact CA-O 3.27Å; S69-L100 PolarHBondContact N-O 2.98Å; A70-L100 HydrophobicContact CB-CB 3.98Å; A70-L100 VanDerWaalsContact CB-O 3.3Å; A70-L100 WeakPolarHBondContact CB-O 3.34Å; A70-L100 PolarHBondContact N-O 3.47Å; A70-L100 PolarHBondContact O-N 3.08Å; A72-L100 HydrophobicContact CB-CD1 3.93Å; E98-L100 HydrophobicContact CG-CD1 4.13Å; E98-L100 HydrophobicContact CG-CD2 4.01Å; E98-L100 HydrophobicContact CG-CG 3.88Å; E98-L100 WeakPolarHBondContact OE2-CD2 3.32Å; L100-I104 HydrophobicContact CB-CB 4.49Å; L100-I104 HydrophobicContact CB-CG2 4.25Å; L100-I104 HydrophobicContact CD1-CB 4.41Å; L100-I104 HydrophobicContact CD1-CD1 4.28Å; L100-I104 HydrophobicContact CD1-CG1 3.94Å; L100-I104 HydrophobicContact CD1-CG2 4.41Å |
| 101 | H | 98.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 34 Ų | 34 | 23% | 0.227 | 17% | 0.173 | C | C | . | . | trans | -65.1 | 137.9 | 166.9 | -168.6 | -101.4 | 0 | 0 | 0 | 110.6 | Y66 E67 E103 I104 | Y66-H101 AromaticContact CE1-NE2 3.58Å; E67-H101 WeakPolarHBondContact O-CA 3.41Å; E67-H101 PolarHBondContact O-N 2.86Å; E67-H101 IonicContact OE1-NE2 3.3Å; E67-H101 IonicContact OE2-CD2 2.72Å; E67-H101 PolarHBondContact OE2-CD2 2.74Å; E67-H101 IonicContact OE2-NE2 3.38Å; E67-H101 PolarHBondContact OE2-NE2 2.76Å; E67-H101 VanDerWaalsContact OE2-NE2 3.12Å; H101-E103 WeakPolarHBondContact CE1-CG 3.22Å; H101-E103 IonicContact CE1-OE1 3.49Å; H101-E103 IonicContact CE1-OE2 3.47Å; H101-E103 VanDerWaalsContact ND1-CB 3.33Å; H101-E103 WeakPolarHBondContact ND1-CB 3.47Å; H101-E103 WeakPolarHBondContact ND1-CG 3.48Å; H101-E103 PolarHBondContact ND1-N 2.66Å; H101-E103 IonicContact ND1-OE2 2.74Å; H101-E103 PolarHBondContact O-N 2.97Å; H101-E103 VanDerWaalsContact O-N 3.09Å; H101-I104 WeakPolarHBondContact O-CB 3.45Å; H101-I104 VanDerWaalsContact O-CG2 3.22Å; H101-I104 WeakPolarHBondContact O-CG2 3.14Å; H101-I104 PolarHBondContact O-N 3.2Å | ||
| 102 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -54 | -30.6 | -179.9 | -32.6 | 40.8 | 0 | 0 | 0 | 114.9 | Y66 S69 I104 V105 L154 L162 | Y66-P102 HydrophobicContact CD2-CG 4.23Å; Y66-P102 HydrophobicContact CE1-CG 4.28Å; Y66-P102 HydrophobicContact CE2-CB 4.29Å; Y66-P102 HydrophobicContact CE2-CG 3.85Å; Y66-P102 WeakPolarHBondContact O-CD 3.2Å; Y66-P102 WeakPolarHBondContact O-CG 3.44Å; S69-P102 WeakPolarHBondContact OG-CG 3.12Å; P102-I104 PolarHBondContact O-N 3.18Å; P102-V105 VanDerWaalsContact O-CG2 3.32Å; P102-V105 WeakPolarHBondContact O-CG2 3.18Å; P102-V105 PolarHBondContact O-N 2.96Å; P102-L154 HydrophobicContact CB-CD1 4.35Å; P102-L154 HydrophobicContact CB-CD2 3.9Å; P102-L154 HydrophobicContact CG-CD2 4.03Å; P102-L162 HydrophobicContact CB-CD1 3.74Å; P102-L162 HydrophobicContact CB-CD2 4.22Å; P102-L162 HydrophobicContact CB-CG 4.12Å |
| 103 | E | 98.6 | Very high | 98.2 | Very high | 94 Ų | 94 | 34 Ų | 34 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -61.4 | -12.6 | 178.4 | -71.3 | 172.2 | -177.6 | 0 | 0 | 114.2 | H101 V105 L106 L162 | H101-E103 WeakPolarHBondContact CE1-CG 3.22Å; H101-E103 IonicContact CE1-OE1 3.49Å; H101-E103 IonicContact CE1-OE2 3.47Å; H101-E103 VanDerWaalsContact ND1-CB 3.33Å; H101-E103 WeakPolarHBondContact ND1-CB 3.47Å; H101-E103 WeakPolarHBondContact ND1-CG 3.48Å; H101-E103 PolarHBondContact ND1-N 2.66Å; H101-E103 IonicContact ND1-OE2 2.74Å; H101-E103 PolarHBondContact O-N 2.97Å; H101-E103 VanDerWaalsContact O-N 3.09Å; E103-V105 PolarHBondContact O-N 2.77Å; E103-V105 VanDerWaalsContact O-N 3.09Å; E103-L106 HydrophobicContact CB-CD1 4.13Å; E103-L106 HydrophobicContact CB-CG 4.42Å; E103-L106 HydrophobicContact CG-CD1 3.93Å; E103-L106 VanDerWaalsContact O-CB 3.27Å; E103-L106 WeakPolarHBondContact O-CB 3.36Å; E103-L106 WeakPolarHBondContact O-CG 3.31Å; E103-L106 PolarHBondContact O-N 2.88Å; E103-L162 HydrophobicContact CG-CD2 3.95Å |
| 104 | I | 98.7 | Very high | 98.3 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -51.3 | -33.9 | 169.3 | -168.5 | 72.6 | 0 | 0 | 0 | 111.5 | A70 L100 H101 P102 L106 Q107 I152 | A70-I104 HydrophobicContact CB-CG2 3.8Å; L100-I104 HydrophobicContact CB-CB 4.49Å; L100-I104 HydrophobicContact CB-CG2 4.25Å; L100-I104 HydrophobicContact CD1-CB 4.41Å; L100-I104 HydrophobicContact CD1-CD1 4.28Å; L100-I104 HydrophobicContact CD1-CG1 3.94Å; L100-I104 HydrophobicContact CD1-CG2 4.41Å; H101-I104 WeakPolarHBondContact O-CB 3.45Å; H101-I104 VanDerWaalsContact O-CG2 3.22Å; H101-I104 WeakPolarHBondContact O-CG2 3.14Å; H101-I104 PolarHBondContact O-N 3.2Å; P102-I104 PolarHBondContact O-N 3.18Å; I104-L106 PolarHBondContact O-N 3.4Å; I104-L106 VanDerWaalsContact O-N 3.17Å; I104-Q107 VanDerWaalsContact CD1-NE2 3.25Å; I104-Q107 WeakPolarHBondContact O-CG 3.48Å; I104-Q107 PolarHBondContact O-N 3.17Å; I104-I152 HydrophobicContact CG1-CD1 4.18Å; I104-I152 HydrophobicContact CG2-CD1 4.2Å; I104-I152 HydrophobicContact CG2-CG2 4.12Å |
| 105 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -74.7 | -2.3 | 179.9 | -48.5 | 0 | 0 | 0 | 0 | 113.6 | P102 E103 V110 F122 I152 L154 L162 L235 K238 | P102-V105 VanDerWaalsContact O-CG2 3.32Å; P102-V105 WeakPolarHBondContact O-CG2 3.18Å; P102-V105 PolarHBondContact O-N 2.96Å; E103-V105 PolarHBondContact O-N 2.77Å; E103-V105 VanDerWaalsContact O-N 3.09Å; V105-V110 HydrophobicContact CB-CG1 4.04Å; V105-V110 HydrophobicContact CG1-CG1 4.36Å; V105-F122 HydrophobicContact CB-CD1 3.69Å; V105-F122 HydrophobicContact CB-CD2 4.42Å; V105-F122 HydrophobicContact CB-CE1 3.74Å; V105-F122 HydrophobicContact CB-CE2 4.49Å; V105-F122 HydrophobicContact CB-CG 4.04Å; V105-F122 HydrophobicContact CB-CZ 4.15Å; V105-F122 HydrophobicContact CG1-CB 4.25Å; V105-F122 HydrophobicContact CG1-CD1 3.98Å; V105-F122 HydrophobicContact CG1-CD2 3.87Å; V105-F122 HydrophobicContact CG1-CE1 4.23Å; V105-F122 HydrophobicContact CG1-CE2 4.15Å; V105-F122 HydrophobicContact CG1-CG 3.78Å; V105-F122 HydrophobicContact CG1-CZ 4.31Å; V105-F122 HydrophobicContact CG2-CD1 4.24Å; V105-F122 HydrophobicContact CG2-CE1 3.75Å; V105-F122 HydrophobicContact CG2-CE2 4.48Å; V105-F122 HydrophobicContact CG2-CZ 3.89Å; V105-I152 HydrophobicContact CG1-CB 4.48Å; V105-I152 HydrophobicContact CG1-CG2 3.84Å; V105-L154 HydrophobicContact CB-CD1 4.34Å; V105-L154 HydrophobicContact CG1-CD1 3.6Å; V105-L154 HydrophobicContact CG1-CG 4.31Å; V105-L154 HydrophobicContact CG2-CD1 3.84Å; V105-L162 HydrophobicContact CG2-CD1 3.53Å; V105-L235 HydrophobicContact CG2-CD2 4.37Å; V105-K238 PolarHBondContact O-NZ 3.46Å |
| 106 | L | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 29% | 0.288 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -85.7 | -11.5 | 174.4 | -54.6 | -175.4 | 0 | 0 | 0 | 112.9 | E103 I104 L162 I166 K238 | E103-L106 HydrophobicContact CB-CD1 4.13Å; E103-L106 HydrophobicContact CB-CG 4.42Å; E103-L106 HydrophobicContact CG-CD1 3.93Å; E103-L106 VanDerWaalsContact O-CB 3.27Å; E103-L106 WeakPolarHBondContact O-CB 3.36Å; E103-L106 WeakPolarHBondContact O-CG 3.31Å; E103-L106 PolarHBondContact O-N 2.88Å; I104-L106 PolarHBondContact O-N 3.4Å; I104-L106 VanDerWaalsContact O-N 3.17Å; L106-L162 HydrophobicContact CD1-CD2 4.44Å; L106-I166 HydrophobicContact CD2-CD1 3.52Å; L106-I166 HydrophobicContact CD2-CG1 4.02Å; L106-K238 HydrophobicContact CD2-CD 4.48Å; L106-K238 VanDerWaalsContact O-CE 3.27Å; L106-K238 WeakPolarHBondContact O-CE 3.31Å |
| 107 | Q | 98.3 | Very high | 98.1 | Very high | 85 Ų | 85 | 34.5 Ų | 34.5 | 40% | 0.397 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -61.1 | 146.6 | 176.8 | -66.3 | -178.2 | -6.7 | 0 | 0 | 112.7 | I104 N109 V110 K238 | I104-Q107 VanDerWaalsContact CD1-NE2 3.25Å; I104-Q107 WeakPolarHBondContact O-CG 3.48Å; I104-Q107 PolarHBondContact O-N 3.17Å; Q107-N109 WeakPolarHBondContact CB-OD1 3.43Å; Q107-N109 PolarHBondContact O-N 3.14Å; Q107-V110 HydrophobicContact CB-CG2 4.04Å; Q107-V110 PolarHBondContact O-N 3.32Å; Q107-K238 WeakPolarHBondContact O-CE 3.32Å; Q107-K238 PolarHBondContact O-NZ 2.9Å |
| 108 | D | 97.7 | Very high | 98 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.1 | -175.3 | -74.1 | 7.7 | 0 | 0 | 0 | 114.8 | S128 I129 T240 S241 | D108-S128 WeakPolarHBondContact CB-OG 3.34Å; D108-I129 WeakPolarHBondContact O-CG2 3.28Å; D108-I129 PolarHBondContact O-N 2.74Å; D108-T240 VanDerWaalsContact OD1-CA 3.28Å; D108-T240 WeakPolarHBondContact OD1-CA 3.43Å; D108-S241 VanDerWaalsContact CG-N 3.32Å; D108-S241 PolarHBondContact OD1-N 2.74Å; D108-S241 WeakPolarHBondContact OD2-CB 3.23Å; D108-S241 PolarHBondContact OD2-N 3.3Å; D108-S241 PolarHBondContact OD2-OG 3.07Å |
| 109 | N | 98 | Very high | 98 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.5 | 177.3 | 68.2 | -43.1 | 0 | 0 | 0 | 113.1 | Q107 E124 L125 R127 | Q107-N109 WeakPolarHBondContact CB-OD1 3.43Å; Q107-N109 PolarHBondContact O-N 3.14Å; N109-E124 WeakPolarHBondContact ND2-CG 3.35Å; N109-L125 PolarHBondContact ND2-O 2.92Å; N109-L125 WeakPolarHBondContact O-CB 3.08Å; N109-L125 WeakPolarHBondContact O-CG 3.26Å; N109-L125 PolarHBondContact O-N 3.36Å; N109-R127 WeakPolarHBondContact CB-O 3.37Å |
| 110 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.3 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | V105 Q107 F122 L123 E124 I152 K238 | V105-V110 HydrophobicContact CB-CG1 4.04Å; V105-V110 HydrophobicContact CG1-CG1 4.36Å; Q107-V110 HydrophobicContact CB-CG2 4.04Å; Q107-V110 PolarHBondContact O-N 3.32Å; V110-F122 HydrophobicContact CG1-CB 3.71Å; V110-F122 HydrophobicContact CG1-CD1 4.13Å; V110-F122 HydrophobicContact CG1-CG 4.32Å; V110-L123 VanDerWaalsContact CA-O 3.31Å; V110-L123 WeakPolarHBondContact CA-O 3.12Å; V110-E124 HydrophobicContact CG2-CB 4.14Å; V110-E124 HydrophobicContact CG2-CG 4.05Å; V110-I152 HydrophobicContact CG1-CD1 4.21Å; V110-I152 HydrophobicContact CG2-CD1 4.2Å; V110-K238 PolarHBondContact O-NZ 3.34Å |
| 111 | I | 98.1 | Very high | 98 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 9% | 0.092 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.8 | 176 | 61.9 | 167.6 | 0 | 0 | 0 | 111.6 | F122 L123 L125 I129 V144 | I111-F122 CarbonylContact O-C 3.6Å; I111-F122 WeakPolarHBondContact O-CA 3.27Å; I111-F122 WeakPolarHBondContact O-CB 3.45Å; I111-L123 HydrophobicContact CD1-CD1 4.4Å; I111-L123 HydrophobicContact CG1-CB 4.1Å; I111-L123 HydrophobicContact CG1-CD1 4.47Å; I111-L123 PolarHBondContact N-O 3.32Å; I111-L123 PolarHBondContact O-N 2.79Å; I111-L125 HydrophobicContact CD1-CD1 4.08Å; I111-L125 HydrophobicContact CG1-CD1 4.18Å; I111-L125 HydrophobicContact CG1-CG 4.44Å; I111-L125 HydrophobicContact CG2-CD1 4.37Å; I111-I129 HydrophobicContact CG2-CB 4.03Å; I111-I129 HydrophobicContact CG2-CD1 3.64Å; I111-I129 HydrophobicContact CG2-CG1 3.78Å; I111-V144 HydrophobicContact CD1-CB 4.03Å; I111-V144 HydrophobicContact CD1-CG1 3.75Å; I111-V144 HydrophobicContact CD1-CG2 4.18Å |
| 112 | I | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131 | 167.9 | -171.4 | 168.4 | 0 | 0 | 0 | 109.7 | I115 A120 F122 V209 A232 L235 L236 | I112-I115 HydrophobicContact CD1-CD1 4.25Å; I112-A120 HydrophobicContact CD1-CB 4.04Å; I112-A120 HydrophobicContact CG1-CB 4.46Å; I112-F122 HydrophobicContact CB-CD1 3.82Å; I112-F122 HydrophobicContact CB-CE1 3.67Å; I112-F122 HydrophobicContact CB-CZ 4.32Å; I112-F122 HydrophobicContact CD1-CE1 4.36Å; I112-F122 HydrophobicContact CD1-CZ 4.19Å; I112-F122 HydrophobicContact CG1-CD1 4.4Å; I112-F122 HydrophobicContact CG1-CE1 4.13Å; I112-F122 HydrophobicContact CG1-CZ 4.29Å; I112-V209 HydrophobicContact CB-CG2 4.46Å; I112-V209 HydrophobicContact CD1-CG2 3.8Å; I112-V209 HydrophobicContact CG1-CB 4.22Å; I112-V209 HydrophobicContact CG1-CG2 3.72Å; I112-V209 HydrophobicContact CG2-CB 3.98Å; I112-V209 HydrophobicContact CG2-CG1 3.92Å; I112-V209 HydrophobicContact CG2-CG2 4.06Å; I112-A232 HydrophobicContact CD1-CB 4.3Å; I112-L235 HydrophobicContact CD1-CB 4.49Å; I112-L235 HydrophobicContact CD1-CD1 4.36Å; I112-L236 HydrophobicContact CG2-CB 4.09Å |
| 113 | A | 98 | Very high | 98 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -36 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V87 L121 L123 P208 V209 | V87-A113 HydrophobicContact CB-CB 4.41Å; V87-A113 HydrophobicContact CG1-CB 4.18Å; A113-L121 PolarHBondContact N-O 2.88Å; A113-L123 HydrophobicContact CB-CD1 3.54Å; A113-L123 HydrophobicContact CB-CD2 4.04Å; A113-L123 HydrophobicContact CB-CG 3.48Å; A113-L123 VanDerWaalsContact CB-CG 3.48Å; A113-P208 HydrophobicContact CB-CB 4.38Å; A113-P208 HydrophobicContact CB-CG 4Å; A113-P208 CarbonylContact O-C 3.57Å; A113-P208 VanDerWaalsContact O-C 3.3Å; A113-V209 WeakPolarHBondContact O-CA 3.28Å; A113-V209 PolarHBondContact O-N 3.14Å |
| 114 | D | 97.6 | Very high | 98 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.2 | 174.4 | -156.1 | 9.9 | 0 | 0 | 0 | 109.6 | K86 R88 A120 L121 S212 | K86-D114 IonicContact NZ-OD1 3.75Å; K86-D114 PolarHBondContact NZ-OD1 3.05Å; K86-D114 IonicContact NZ-OD2 3.12Å; K86-D114 PolarHBondContact NZ-OD2 3Å; R88-D114 WeakPolarHBondContact CB-OD2 3.35Å; D114-A120 CarbonylContact O-C 3.59Å; D114-A120 WeakPolarHBondContact O-CA 3.47Å; D114-L121 HydrophobicContact CB-CB 3.83Å; D114-L121 HydrophobicContact CB-CD2 4.25Å; D114-L121 PolarHBondContact N-O 2.97Å; D114-L121 VanDerWaalsContact N-O 3.15Å; D114-L121 PolarHBondContact O-N 3.34Å; D114-S212 WeakPolarHBondContact CA-OG 3.5Å; D114-S212 WeakPolarHBondContact OD1-CB 3.39Å; D114-S212 PolarHBondContact OD1-OG 3.26Å |
| 115 | I | 97.6 | Very high | 98 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 139.2 | 175.1 | -168.7 | 162 | 0 | 0 | 0 | 109.8 | I112 G119 A120 L156 V209 L213 I228 A232 | I112-I115 HydrophobicContact CD1-CD1 4.25Å; I115-G119 WeakPolarHBondContact CA-O 3.17Å; I115-A120 HydrophobicContact CB-CB 4.26Å; I115-A120 HydrophobicContact CD1-CB 4.01Å; I115-A120 HydrophobicContact CG1-CB 3.98Å; I115-L156 HydrophobicContact CD1-CD2 3.92Å; I115-L156 HydrophobicContact CG1-CD2 3.95Å; I115-V209 HydrophobicContact CG2-CG2 3.88Å; I115-L213 HydrophobicContact CG2-CD2 3.79Å; I115-L213 HydrophobicContact CG2-CG 4.24Å; I115-I228 HydrophobicContact CD1-CG2 3.57Å; I115-I228 HydrophobicContact CG1-CG2 3.86Å; I115-I228 HydrophobicContact CG2-CG2 4.36Å; I115-A232 HydrophobicContact CD1-CB 4.22Å |
| 116 | D | 95.7 | Very high | 97.9 | Very high | 60 Ų | 60 | 29.7 Ų | 29.7 | 32% | 0.321 | 14% | 0.144 | S | C | . | . | trans | -138.9 | -163.7 | 178.1 | 69.1 | 17.1 | 0 | 0 | 0 | 111.5 | K118 G119 L156 | D116-K118 PolarHBondContact O-N 3.21Å; D116-K118 WeakPolarHBondContact OD1-CA 3.39Å; D116-K118 WeakPolarHBondContact OD1-CB 3.46Å; D116-K118 PolarHBondContact OD1-N 2.94Å; D116-G119 PolarHBondContact N-O 2.67Å; D116-G119 PolarHBondContact OD1-N 2.83Å; D116-L156 WeakPolarHBondContact O-CD1 3.45Å | ||
| 117 | N | 96.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -74.1 | -9.7 | 179.1 | -77.7 | -51.4 | 0 | 0 | 0 | 114.8 | L156 H219 T220 R224 | N117-L156 VanDerWaalsContact C-CD1 3.44Å; N117-L156 WeakPolarHBondContact O-CD1 3.43Å; N117-H219 PolarHBondContact ND2-O 3.45Å; N117-T220 VanDerWaalsContact OD1-CB 3.32Å; N117-T220 WeakPolarHBondContact OD1-CB 3.45Å; N117-T220 PolarHBondContact OD1-OG1 3.13Å; N117-R224 PolarHBondContact O-NH2 2.9Å; N117-R224 PolarHBondContact OD1-NE 3.21Å |
| 118 | K | 96.6 | Very high | 97.6 | Very high | 126 Ų | 126 | 29.3 Ų | 29.3 | 55% | 0.548 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -107.4 | -39.8 | -175 | -60.5 | 175 | -178.4 | 171.4 | 0 | 111.4 | D116 L156 D493 | D116-K118 PolarHBondContact O-N 3.21Å; D116-K118 WeakPolarHBondContact OD1-CA 3.39Å; D116-K118 WeakPolarHBondContact OD1-CB 3.46Å; D116-K118 PolarHBondContact OD1-N 2.94Å; K118-L156 PolarHBondContact O-N 3.02Å; K118-D493 IonicContact NZ-OD2 2.7Å; K118-D493 PolarHBondContact NZ-OD2 2.79Å |
| 119 | G | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173 | -170.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I115 D116 L154 | I115-G119 WeakPolarHBondContact CA-O 3.17Å; D116-G119 PolarHBondContact N-O 2.67Å; D116-G119 PolarHBondContact OD1-N 2.83Å; G119-L154 CarbonylContact C-O 3.58Å; G119-L154 WeakPolarHBondContact CA-O 3.47Å |
| 120 | A | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I112 D114 I115 F122 W153 L154 C159 | I112-A120 HydrophobicContact CD1-CB 4.04Å; I112-A120 HydrophobicContact CG1-CB 4.46Å; D114-A120 CarbonylContact O-C 3.59Å; D114-A120 WeakPolarHBondContact O-CA 3.47Å; I115-A120 HydrophobicContact CB-CB 4.26Å; I115-A120 HydrophobicContact CD1-CB 4.01Å; I115-A120 HydrophobicContact CG1-CB 3.98Å; A120-F122 HydrophobicContact CB-CD2 4.35Å; A120-F122 HydrophobicContact CB-CE2 3.66Å; A120-F122 HydrophobicContact CB-CZ 4.28Å; A120-W153 WeakPolarHBondContact O-CA 3.36Å; A120-L154 PolarHBondContact N-O 2.82Å; A120-L154 PolarHBondContact O-N 2.75Å; A120-C159 VanDerWaalsContact CB-SG 3.6Å |
| 121 | L | 98.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126 | 172.7 | -175.5 | 68.9 | 0 | 0 | 0 | 108.9 | N89 A113 D114 L151 | N89-L121 HydrophobicContact CB-CD2 4.26Å; A113-L121 PolarHBondContact N-O 2.88Å; D114-L121 HydrophobicContact CB-CB 3.83Å; D114-L121 HydrophobicContact CB-CD2 4.25Å; D114-L121 PolarHBondContact N-O 2.97Å; D114-L121 VanDerWaalsContact N-O 3.15Å; D114-L121 PolarHBondContact O-N 3.34Å; L121-L151 HydrophobicContact CD1-CB 3.96Å; L121-L151 HydrophobicContact CD1-CD1 4.23Å; L121-L151 HydrophobicContact CD1-CG 4.49Å |
| 122 | F | 98.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 151.4 | 172.9 | -60.8 | -105.4 | 0 | 0 | 0 | 110.2 | V105 V110 I111 I112 A120 L151 I152 L154 L235 | V105-F122 HydrophobicContact CB-CD1 3.69Å; V105-F122 HydrophobicContact CB-CD2 4.42Å; V105-F122 HydrophobicContact CB-CE1 3.74Å; V105-F122 HydrophobicContact CB-CE2 4.49Å; V105-F122 HydrophobicContact CB-CG 4.04Å; V105-F122 HydrophobicContact CB-CZ 4.15Å; V105-F122 HydrophobicContact CG1-CB 4.25Å; V105-F122 HydrophobicContact CG1-CD1 3.98Å; V105-F122 HydrophobicContact CG1-CD2 3.87Å; V105-F122 HydrophobicContact CG1-CE1 4.23Å; V105-F122 HydrophobicContact CG1-CE2 4.15Å; V105-F122 HydrophobicContact CG1-CG 3.78Å; V105-F122 HydrophobicContact CG1-CZ 4.31Å; V105-F122 HydrophobicContact CG2-CD1 4.24Å; V105-F122 HydrophobicContact CG2-CE1 3.75Å; V105-F122 HydrophobicContact CG2-CE2 4.48Å; V105-F122 HydrophobicContact CG2-CZ 3.89Å; V110-F122 HydrophobicContact CG1-CB 3.71Å; V110-F122 HydrophobicContact CG1-CD1 4.13Å; V110-F122 HydrophobicContact CG1-CG 4.32Å; I111-F122 CarbonylContact O-C 3.6Å; I111-F122 WeakPolarHBondContact O-CA 3.27Å; I111-F122 WeakPolarHBondContact O-CB 3.45Å; I112-F122 HydrophobicContact CB-CD1 3.82Å; I112-F122 HydrophobicContact CB-CE1 3.67Å; I112-F122 HydrophobicContact CB-CZ 4.32Å; I112-F122 HydrophobicContact CD1-CE1 4.36Å; I112-F122 HydrophobicContact CD1-CZ 4.19Å; I112-F122 HydrophobicContact CG1-CD1 4.4Å; I112-F122 HydrophobicContact CG1-CE1 4.13Å; I112-F122 HydrophobicContact CG1-CZ 4.29Å; A120-F122 HydrophobicContact CB-CD2 4.35Å; A120-F122 HydrophobicContact CB-CE2 3.66Å; A120-F122 HydrophobicContact CB-CZ 4.28Å; F122-L151 WeakPolarHBondContact O-CA 3.43Å; F122-I152 HydrophobicContact CB-CB 4.19Å; F122-I152 PolarHBondContact N-O 2.84Å; F122-I152 PolarHBondContact O-N 2.97Å; F122-L154 HydrophobicContact CD2-CD1 4.32Å; F122-L154 HydrophobicContact CE2-CB 4.12Å; F122-L154 HydrophobicContact CE2-CD1 3.69Å; F122-L154 HydrophobicContact CE2-CG 4.2Å; F122-L154 HydrophobicContact CZ-CD1 4.14Å; F122-L235 HydrophobicContact CE1-CD2 4.4Å; F122-L235 HydrophobicContact CZ-CD1 4.01Å; F122-L235 HydrophobicContact CZ-CD2 4.4Å |
| 123 | L | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.7 | 176 | -49 | 177.5 | 0 | 0 | 0 | 108.1 | V87 F92 V110 I111 A113 L125 V144 T148 L151 | V87-L123 HydrophobicContact CG1-CD1 4.13Å; V87-L123 HydrophobicContact CG1-CD2 4.32Å; F92-L123 HydrophobicContact CZ-CD2 4.23Å; V110-L123 VanDerWaalsContact CA-O 3.31Å; V110-L123 WeakPolarHBondContact CA-O 3.12Å; I111-L123 HydrophobicContact CD1-CD1 4.4Å; I111-L123 HydrophobicContact CG1-CB 4.1Å; I111-L123 HydrophobicContact CG1-CD1 4.47Å; I111-L123 PolarHBondContact N-O 3.32Å; I111-L123 PolarHBondContact O-N 2.79Å; A113-L123 HydrophobicContact CB-CD1 3.54Å; A113-L123 HydrophobicContact CB-CD2 4.04Å; A113-L123 HydrophobicContact CB-CG 3.48Å; A113-L123 VanDerWaalsContact CB-CG 3.48Å; L123-L125 HydrophobicContact CB-CD2 3.95Å; L123-V144 HydrophobicContact CD1-CB 4.1Å; L123-V144 HydrophobicContact CD1-CG2 3.52Å; L123-T148 HydrophobicContact CB-CG2 3.95Å; L123-T148 HydrophobicContact CD2-CG2 4.02Å; L123-T148 HydrophobicContact CG-CG2 4.48Å; L123-L151 HydrophobicContact CD2-CD2 3.45Å; L123-L151 VanDerWaalsContact CD2-CD2 3.45Å |
| 124 | E | 98.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114 | 165.2 | -172.8 | -174.6 | 108.2 | 0 | 0 | 108.7 | N109 V110 T148 R149 R150 I152 | N109-E124 WeakPolarHBondContact ND2-CG 3.35Å; V110-E124 HydrophobicContact CG2-CB 4.14Å; V110-E124 HydrophobicContact CG2-CG 4.05Å; E124-T148 CarbonylContact O-C 3.58Å; E124-T148 WeakPolarHBondContact O-CA 3.45Å; E124-R149 PolarHBondContact O-N 3.39Å; E124-R150 HydrophobicContact CB-CB 4.02Å; E124-R150 VanDerWaalsContact CD-NE 3.32Å; E124-R150 PolarHBondContact N-O 2.85Å; E124-R150 PolarHBondContact O-N 2.85Å; E124-R150 IonicContact OE1-CZ 2.95Å; E124-R150 IonicContact OE1-NE 3.58Å; E124-R150 PolarHBondContact OE1-NE 2.76Å; E124-R150 VanDerWaalsContact OE1-NE 3.12Å; E124-R150 IonicContact OE1-NH2 3.56Å; E124-R150 IonicContact OE2-CZ 3.59Å; E124-R150 IonicContact OE2-NE 3.54Å; E124-R150 PolarHBondContact OE2-NE 2.77Å; E124-R150 IonicContact OE2-NH2 3.61Å; E124-R150 PolarHBondContact OE2-NH2 2.82Å; E124-I152 HydrophobicContact CB-CD1 4.26Å |
| 125 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 160.1 | -176.9 | -52.4 | -179.7 | 0 | 0 | 0 | 111.4 | N109 I111 L123 R127 I129 Y132 V144 H147 | N109-L125 PolarHBondContact ND2-O 2.92Å; N109-L125 WeakPolarHBondContact O-CB 3.08Å; N109-L125 WeakPolarHBondContact O-CG 3.26Å; N109-L125 PolarHBondContact O-N 3.36Å; I111-L125 HydrophobicContact CD1-CD1 4.08Å; I111-L125 HydrophobicContact CG1-CD1 4.18Å; I111-L125 HydrophobicContact CG1-CG 4.44Å; I111-L125 HydrophobicContact CG2-CD1 4.37Å; L123-L125 HydrophobicContact CB-CD2 3.95Å; L125-R127 WeakPolarHBondContact CB-O 3.42Å; L125-R127 PolarHBondContact O-N 3.38Å; L125-I129 HydrophobicContact CD1-CD1 4.27Å; L125-Y132 HydrophobicContact CB-CE2 3.7Å; L125-Y132 HydrophobicContact CD1-CD2 3.56Å; L125-Y132 HydrophobicContact CD1-CE2 3.48Å; L125-Y132 VanDerWaalsContact CD1-CE2 3.48Å; L125-Y132 HydrophobicContact CD1-CG 4.49Å; L125-Y132 HydrophobicContact CG-CE2 4.2Å; L125-V144 HydrophobicContact CD2-CB 4.18Å; L125-H147 CarbonylContact C-O 3.57Å; L125-H147 WeakPolarHBondContact CA-O 3.32Å; L125-H147 HydrophobicContact CD2-CB 4.5Å |
| 126 | K | 96.3 | Very high | 94.2 | Very high | 110 Ų | 110 | 41 Ų | 41 | 48% | 0.478 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -61.6 | -26.2 | 176.5 | -71.1 | 172.7 | -179.7 | 174.9 | 0 | 113.7 | H147 R149 | K126-H147 WeakPolarHBondContact CG-O 3.44Å; K126-H147 PolarHBondContact N-O 2.83Å; K126-R149 HydrophobicContact CG-CG 3.68Å |
| 127 | R | 95.7 | Very high | 93.9 | Very high | 105 Ų | 105 | 39.2 Ų | 39.2 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -139.3 | 167.9 | -178.1 | -64.3 | -173.2 | -67.5 | 180 | -2.4 | 109.9 | N109 L125 H131 Y132 E136 | N109-R127 WeakPolarHBondContact CB-O 3.37Å; L125-R127 WeakPolarHBondContact CB-O 3.42Å; L125-R127 PolarHBondContact O-N 3.38Å; R127-H131 HydrophobicContact CB-CB 4.2Å; R127-Y132 HydrophobicContact CB-CE2 4.16Å; R127-Y132 PolarHBondContact N-OH 3.47Å; R127-Y132 WeakPolarHBondContact O-CE2 3.47Å; R127-E136 IonicContact CZ-OE1 2.94Å; R127-E136 IonicContact CZ-OE2 3.13Å; R127-E136 IonicContact NH1-OE2 3.09Å; R127-E136 IonicContact NH2-OE1 3.88Å; R127-E136 PolarHBondContact NH2-OE1 3.36Å; R127-E136 IonicContact NH2-OE2 2.57Å; R127-E136 PolarHBondContact NH2-OE2 2.78Å |
| 128 | S | 95.1 | Very high | 93.6 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | trans | -56 | 148.9 | 171.7 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | D108 E130 H131 Y132 | D108-S128 WeakPolarHBondContact CB-OG 3.34Å; S128-E130 PolarHBondContact O-N 3.4Å; S128-E130 VanDerWaalsContact O-N 3.11Å; S128-E130 WeakPolarHBondContact OG-CG 3.45Å; S128-E130 PolarHBondContact OG-N 3.3Å; S128-H131 PolarHBondContact O-N 3.32Å; S128-Y132 WeakPolarHBondContact O-CD2 3.19Å | ||
| 129 | I | 93.7 | Very high | 93.4 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 10% | 0.097 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -54.7 | -27.4 | 175.4 | -168.5 | 52.6 | 0 | 0 | 0 | 112.6 | D108 I111 L125 H131 Y132 L140 M202 L204 | D108-I129 WeakPolarHBondContact O-CG2 3.28Å; D108-I129 PolarHBondContact O-N 2.74Å; I111-I129 HydrophobicContact CG2-CB 4.03Å; I111-I129 HydrophobicContact CG2-CD1 3.64Å; I111-I129 HydrophobicContact CG2-CG1 3.78Å; L125-I129 HydrophobicContact CD1-CD1 4.27Å; I129-H131 PolarHBondContact O-N 2.99Å; I129-Y132 HydrophobicContact CD1-CD2 4.4Å; I129-Y132 PolarHBondContact O-N 2.77Å; I129-L140 HydrophobicContact CD1-CD2 4.2Å; I129-M202 HydrophobicContact CG2-CE 4.29Å; I129-L204 HydrophobicContact CG1-CD2 4.15Å |
| 130 | E | 91.9 | Very high | 93.3 | Very high | 46 Ų | 46 | 32.5 Ų | 32.5 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -63.9 | -22 | 178.8 | -37.1 | -152.7 | 154.9 | 0 | 0 | 113 | S128 T133 M202 T240 N242 | S128-E130 PolarHBondContact O-N 3.4Å; S128-E130 VanDerWaalsContact O-N 3.11Å; S128-E130 WeakPolarHBondContact OG-CG 3.45Å; S128-E130 PolarHBondContact OG-N 3.3Å; E130-T133 WeakPolarHBondContact O-CG2 3.28Å; E130-M202 HydrophobicContact CB-CE 3.97Å; E130-M202 HydrophobicContact CG-CE 3.43Å; E130-M202 VanDerWaalsContact CG-CE 3.43Å; E130-T240 WeakPolarHBondContact OE1-CB 3.39Å; E130-T240 PolarHBondContact OE1-OG1 2.7Å; E130-N242 WeakPolarHBondContact OE1-CB 3Å; E130-N242 WeakPolarHBondContact OE2-CB 3.3Å; E130-N242 PolarHBondContact OE2-ND2 3Å |
| 131 | H | 90.8 | Very high | 93 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 45% | 0.454 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -80.3 | -23.6 | 175.5 | -68.3 | -76.1 | 0 | 0 | 0 | 112.7 | R127 S128 I129 T133 E136 | R127-H131 HydrophobicContact CB-CB 4.2Å; S128-H131 PolarHBondContact O-N 3.32Å; I129-H131 PolarHBondContact O-N 2.99Å; H131-T133 PolarHBondContact O-N 2.86Å; H131-E136 VanDerWaalsContact O-OE2 3.05Å |
| 132 | Y | 90.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -89.5 | 57.8 | -177.6 | -60.6 | -68.1 | 0 | 0 | 0 | 111.2 | L125 R127 S128 I129 E136 L137 H147 | L125-Y132 HydrophobicContact CB-CE2 3.7Å; L125-Y132 HydrophobicContact CD1-CD2 3.56Å; L125-Y132 HydrophobicContact CD1-CE2 3.48Å; L125-Y132 VanDerWaalsContact CD1-CE2 3.48Å; L125-Y132 HydrophobicContact CD1-CG 4.49Å; L125-Y132 HydrophobicContact CG-CE2 4.2Å; R127-Y132 HydrophobicContact CB-CE2 4.16Å; R127-Y132 PolarHBondContact N-OH 3.47Å; R127-Y132 WeakPolarHBondContact O-CE2 3.47Å; S128-Y132 WeakPolarHBondContact O-CD2 3.19Å; I129-Y132 HydrophobicContact CD1-CD2 4.4Å; I129-Y132 PolarHBondContact O-N 2.77Å; Y132-E136 VanDerWaalsContact CD1-OE1 3.28Å; Y132-E136 WeakPolarHBondContact CD1-OE1 3.47Å; Y132-E136 WeakPolarHBondContact CE1-OE1 3.25Å; Y132-L137 HydrophobicContact CD1-CD1 3.39Å; Y132-L137 HydrophobicContact CD1-CG 3.88Å; Y132-L137 HydrophobicContact CE1-CD1 4.2Å; Y132-L137 HydrophobicContact CG-CD1 3.92Å; Y132-H147 HydrophobicContact CE1-CB 3.77Å; Y132-H147 AromaticContact CE1-CD2 3.77Å; Y132-H147 AromaticContact CE1-CE1 4Å; Y132-H147 AromaticContact CE1-CG 3.43Å; Y132-H147 VanDerWaalsContact CE1-CG 3.43Å; Y132-H147 AromaticContact CE1-ND1 3.61Å; Y132-H147 AromaticContact CZ-CG 3.94Å; Y132-H147 WeakPolarHBondContact OH-CB 3.42Å |
| 133 | T | 87.1 | Confident | 92.1 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | trans | -75.7 | 168.7 | -175.7 | 77.3 | 0 | 0 | 0 | 0 | 111.5 | E130 H131 S135 E136 L137 H195 | E130-T133 WeakPolarHBondContact O-CG2 3.28Å; H131-T133 PolarHBondContact O-N 2.86Å; T133-S135 PolarHBondContact O-N 3.46Å; T133-S135 WeakPolarHBondContact OG1-CB 3.4Å; T133-S135 PolarHBondContact OG1-N 3.25Å; T133-E136 PolarHBondContact O-N 3.45Å; T133-L137 CarbonylContact O-C 3.5Å; T133-L137 PolarHBondContact O-N 3.06Å; T133-H195 WeakPolarHBondContact CB-CE1 3.4Å; T133-H195 WeakPolarHBondContact CB-NE2 3.45Å; T133-H195 WeakPolarHBondContact CG2-CE1 3.33Å; T133-H195 WeakPolarHBondContact CG2-NE2 3.38Å; T133-H195 PolarHBondContact OG1-NE2 3.49Å | ||
| 134 | P | 86.9 | Confident | 92 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -15.4 | 171.2 | -25.6 | 34.7 | 0 | 0 | 0 | 114.8 | L138 V191 K192 H195 V203 | P134-L138 VanDerWaalsContact O-CD1 3.24Å; P134-L138 WeakPolarHBondContact O-CD1 3.42Å; P134-V191 HydrophobicContact CB-CG2 4.37Å; P134-V191 HydrophobicContact CG-CB 4.46Å; P134-V191 HydrophobicContact CG-CG2 4.39Å; P134-K192 HydrophobicContact CB-CG 3.94Å; P134-K192 WeakPolarHBondContact O-CE 3.49Å; P134-H195 HydrophobicContact CG-CB 4.29Å; P134-V203 HydrophobicContact CG-CB 4.02Å; P134-V203 HydrophobicContact CG-CG1 3.54Å |
| 135 | S | 85.2 | Confident | 91.7 | Very high | 82 Ų | 82 | 34.2 Ų | 34.2 | 57% | 0.573 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -29.7 | 173.6 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | T133 | T133-S135 PolarHBondContact O-N 3.46Å; T133-S135 WeakPolarHBondContact OG1-CB 3.4Å; T133-S135 PolarHBondContact OG1-N 3.25Å |
| 136 | E | 87.2 | Confident | 91.5 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -54.7 | 177.7 | -172.7 | 178.3 | 137.2 | 0 | 0 | 111.9 | R127 H131 Y132 T133 | R127-E136 IonicContact CZ-OE1 2.94Å; R127-E136 IonicContact CZ-OE2 3.13Å; R127-E136 IonicContact NH1-OE2 3.09Å; R127-E136 IonicContact NH2-OE1 3.88Å; R127-E136 PolarHBondContact NH2-OE1 3.36Å; R127-E136 IonicContact NH2-OE2 2.57Å; R127-E136 PolarHBondContact NH2-OE2 2.78Å; H131-E136 VanDerWaalsContact O-OE2 3.05Å; Y132-E136 VanDerWaalsContact CD1-OE1 3.28Å; Y132-E136 WeakPolarHBondContact CD1-OE1 3.47Å; Y132-E136 WeakPolarHBondContact CE1-OE1 3.25Å; T133-E136 PolarHBondContact O-N 3.45Å |
| 137 | L | 89.9 | Confident | 91.5 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | trans | -120.3 | 87.6 | 178.8 | -66.2 | -170.5 | 0 | 0 | 0 | 110 | Y132 T133 F139 L140 V144 | Y132-L137 HydrophobicContact CD1-CD1 3.39Å; Y132-L137 HydrophobicContact CD1-CG 3.88Å; Y132-L137 HydrophobicContact CE1-CD1 4.2Å; Y132-L137 HydrophobicContact CG-CD1 3.92Å; T133-L137 CarbonylContact O-C 3.5Å; T133-L137 PolarHBondContact O-N 3.06Å; L137-F139 PolarHBondContact O-N 3.21Å; L137-F139 VanDerWaalsContact O-N 3.08Å; L137-L140 HydrophobicContact CB-CD2 4.33Å; L137-V144 HydrophobicContact CD1-CG1 4.05Å | ||
| 138 | L | 90 | Very high | 91.6 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 10% | 0.099 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -54.4 | -32.5 | -179.4 | -164.7 | 65.4 | 0 | 0 | 0 | 113.7 | P134 T188 K192 S205 A400 Q401 C404 | P134-L138 VanDerWaalsContact O-CD1 3.24Å; P134-L138 WeakPolarHBondContact O-CD1 3.42Å; L138-T188 HydrophobicContact CD1-CG2 3.3Å; L138-T188 HydrophobicContact CD2-CG2 3.96Å; L138-T188 HydrophobicContact CG-CG2 3.74Å; L138-K192 HydrophobicContact CD1-CD 4.43Å; L138-S205 VanDerWaalsContact O-CB 3.23Å; L138-S205 WeakPolarHBondContact O-CB 3.39Å; L138-S205 PolarHBondContact O-OG 3.3Å; L138-A400 WeakPolarHBondContact CD1-O 3.44Å; L138-Q401 HydrophobicContact CD2-CB 3.91Å; L138-Q401 HydrophobicContact CD2-CG 3.91Å; L138-C404 HydrophobicContact CD2-CB 4.44Å |
| 139 | F | 92.7 | Very high | 91.8 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -131.5 | 104.9 | 177.1 | -45.1 | -62 | 0 | 0 | 0 | 107.9 | L137 W141 M142 G143 E206 F406 | L137-F139 PolarHBondContact O-N 3.21Å; L137-F139 VanDerWaalsContact O-N 3.08Å; F139-W141 VanDerWaalsContact C-N 3.28Å; F139-W141 PolarHBondContact O-N 3.29Å; F139-M142 HydrophobicContact CB-CB 4.14Å; F139-M142 HydrophobicContact CB-CG 3.96Å; F139-M142 HydrophobicContact CB-SD 4.19Å; F139-M142 HydrophobicContact CD2-CG 4.38Å; F139-M142 HydrophobicContact CD2-SD 3.49Å; F139-M142 WeakPolarHBondContact CD2-SD 3.36Å; F139-M142 HydrophobicContact CE2-SD 4.26Å; F139-M142 HydrophobicContact CG-SD 4.2Å; F139-M142 WeakPolarHBondContact O-CB 3.26Å; F139-M142 PolarHBondContact O-N 3.15Å; F139-G143 PolarHBondContact O-N 3.16Å; F139-E206 HydrophobicContact CD1-CG 4.2Å; F139-E206 WeakPolarHBondContact CD1-OE1 3.42Å; F139-E206 VanDerWaalsContact CE1-OE1 3.27Å; F139-E206 WeakPolarHBondContact CE1-OE1 3.24Å; F139-F406 AromaticContact CE2-CD2 3.83Å; F139-F406 HydrophobicContact CE2-CD2 3.83Å; F139-F406 HydrophobicContact CE2-CE2 4.14Å; F139-F406 HydrophobicContact CZ-CD2 4.05Å |
| 140 | L | 95.1 | Very high | 92 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55 | -47.4 | -175.9 | -74.3 | 174.6 | 0 | 0 | 0 | 110.6 | I129 L137 M142 G143 V144 L204 S205 | I129-L140 HydrophobicContact CD1-CD2 4.2Å; L137-L140 HydrophobicContact CB-CD2 4.33Å; L140-M142 PolarHBondContact O-N 2.85Å; L140-G143 PolarHBondContact O-N 3.13Å; L140-V144 HydrophobicContact CB-CG1 4.12Å; L140-V144 HydrophobicContact CD2-CG1 3.87Å; L140-V144 VanDerWaalsContact O-CG1 3.3Å; L140-V144 WeakPolarHBondContact O-CG1 3.22Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 2.86Å; L140-L204 HydrophobicContact CD1-CB 4.23Å; L140-L204 HydrophobicContact CD1-CD2 4.27Å; L140-S205 WeakPolarHBondContact CB-O 3.29Å; L140-S205 WeakPolarHBondContact CG-O 3.48Å; L140-S205 PolarHBondContact N-O 3.31Å |
| 141 | W | 91.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.3 | -28.3 | 179.3 | 70.1 | -91.1 | 0 | 0 | 0 | 114 | R80 P83 T84 V87 F139 E206 P208 M211 I253 | R80-W141 PolarHBondContact NH1-O 3.45Å; P83-W141 WeakPolarHBondContact O-CH2 3.44Å; P83-W141 WeakPolarHBondContact O-CZ3 3.34Å; T84-W141 VanDerWaalsContact C-CZ3 3.46Å; T84-W141 VanDerWaalsContact CA-CH2 3.43Å; T84-W141 HydrophobicContact CG2-CH2 4.12Å; V87-W141 WeakPolarHBondContact CG2-O 3.32Å; F139-W141 VanDerWaalsContact C-N 3.28Å; F139-W141 PolarHBondContact O-N 3.29Å; W141-E206 VanDerWaalsContact CD1-O 3.25Å; W141-E206 PolarHBondContact N-O 3.48Å; W141-E206 PolarHBondContact NE1-OE2 2.93Å; W141-P208 HydrophobicContact CB-CB 3.85Å; W141-M211 HydrophobicContact CB-SD 3.79Å; W141-M211 HydrophobicContact CD2-CE 4.5Å; W141-M211 HydrophobicContact CD2-SD 3.87Å; W141-M211 HydrophobicContact CE3-CE 4.32Å; W141-M211 HydrophobicContact CE3-SD 4.12Å; W141-M211 HydrophobicContact CG-SD 3.68Å; W141-I253 HydrophobicContact CZ2-CD1 4.32Å |
| 142 | M | 89.7 | Confident | 92.7 | Very high | 47 Ų | 47 | 32 Ų | 32 | 23% | 0.232 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77 | -42.8 | 175.1 | -70.7 | -170.8 | 65.9 | 0 | 0 | 112.9 | P83 F139 L140 | P83-M142 HydrophobicContact CB-CE 4.23Å; F139-M142 HydrophobicContact CB-CB 4.14Å; F139-M142 HydrophobicContact CB-CG 3.96Å; F139-M142 HydrophobicContact CB-SD 4.19Å; F139-M142 HydrophobicContact CD2-CG 4.38Å; F139-M142 HydrophobicContact CD2-SD 3.49Å; F139-M142 WeakPolarHBondContact CD2-SD 3.36Å; F139-M142 HydrophobicContact CE2-SD 4.26Å; F139-M142 HydrophobicContact CG-SD 4.2Å; F139-M142 WeakPolarHBondContact O-CB 3.26Å; F139-M142 PolarHBondContact O-N 3.15Å; L140-M142 PolarHBondContact O-N 2.85Å |
| 143 | G | 90.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -92.7 | -38.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F139 L140 G145 Y146 H147 | F139-G143 PolarHBondContact O-N 3.16Å; L140-G143 PolarHBondContact O-N 3.13Å; G143-G145 PolarHBondContact O-N 3.12Å; G143-G145 VanDerWaalsContact O-N 3.08Å; G143-Y146 PolarHBondContact O-N 3.08Å; G143-H147 PolarHBondContact O-CD2 2.82Å |
| 144 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -60.6 | -30.8 | -163.9 | -66.4 | 0 | 0 | 0 | 0 | 114 | V87 I111 L123 L125 L137 L140 Y146 H147 T148 P208 | V87-V144 HydrophobicContact CG2-CG2 4.25Å; I111-V144 HydrophobicContact CD1-CB 4.03Å; I111-V144 HydrophobicContact CD1-CG1 3.75Å; I111-V144 HydrophobicContact CD1-CG2 4.18Å; L123-V144 HydrophobicContact CD1-CB 4.1Å; L123-V144 HydrophobicContact CD1-CG2 3.52Å; L125-V144 HydrophobicContact CD2-CB 4.18Å; L137-V144 HydrophobicContact CD1-CG1 4.05Å; L140-V144 HydrophobicContact CB-CG1 4.12Å; L140-V144 HydrophobicContact CD2-CG1 3.87Å; L140-V144 VanDerWaalsContact O-CG1 3.3Å; L140-V144 WeakPolarHBondContact O-CG1 3.22Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-V144 PolarHBondContact O-N 2.86Å; V144-Y146 VanDerWaalsContact C-N 3.28Å; V144-Y146 PolarHBondContact O-N 3.21Å; V144-H147 CarbonylContact O-C 3.4Å; V144-H147 PolarHBondContact O-N 2.91Å; V144-T148 PolarHBondContact O-N 2.88Å; V144-T148 VanDerWaalsContact O-N 3.12Å; V144-T148 PolarHBondContact O-OG1 3.39Å; V144-P208 HydrophobicContact CG2-CG 4.21Å |
| 145 | G | 94.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -59.5 | -35.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y78 G143 H147 T148 | Y78-G145 VanDerWaalsContact CE1-C 3.48Å; G143-G145 PolarHBondContact O-N 3.12Å; G143-G145 VanDerWaalsContact O-N 3.08Å; G145-H147 PolarHBondContact O-N 2.83Å; G145-T148 WeakPolarHBondContact O-CB 3.26Å; G145-T148 PolarHBondContact O-N 3.49Å |
| 146 | Y | 93.7 | Very high | 94.9 | Very high | 130 Ų | 130 | 30.1 Ų | 30.1 | 51% | 0.51 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -71.9 | -16.1 | 176.8 | -62.6 | -72.3 | 0 | 0 | 0 | 113.5 | Y78 G143 V144 | Y78-Y146 AromaticContact CD1-CD1 3.79Å; Y78-Y146 HydrophobicContact CD1-CD1 3.79Å; Y78-Y146 AromaticContact CD1-CE1 3.91Å; Y78-Y146 HydrophobicContact CD1-CE1 3.91Å; Y78-Y146 HydrophobicContact CD1-CG 4.22Å; Y78-Y146 AromaticContact CE1-CD1 3.89Å; Y78-Y146 HydrophobicContact CE1-CD1 3.89Å; Y78-Y146 HydrophobicContact CE1-CD2 4.06Å; Y78-Y146 AromaticContact CE1-CE1 3.85Å; Y78-Y146 HydrophobicContact CE1-CE1 3.85Å; Y78-Y146 HydrophobicContact CE1-CE2 4.02Å; Y78-Y146 AromaticContact CE1-CG 4Å; Y78-Y146 HydrophobicContact CE1-CG 4Å; Y78-Y146 AromaticContact CE1-CZ 3.92Å; G143-Y146 PolarHBondContact O-N 3.08Å; V144-Y146 VanDerWaalsContact C-N 3.28Å; V144-Y146 PolarHBondContact O-N 3.21Å |
| 147 | H | 96.1 | Very high | 95.4 | Very high | 46 Ų | 46 | 31.5 Ų | 31.5 | 21% | 0.213 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -105.9 | 2 | 179.1 | -62.9 | -78.9 | 0 | 0 | 0 | 113.1 | L125 K126 Y132 G143 V144 G145 | L125-H147 CarbonylContact C-O 3.57Å; L125-H147 WeakPolarHBondContact CA-O 3.32Å; L125-H147 HydrophobicContact CD2-CB 4.5Å; K126-H147 WeakPolarHBondContact CG-O 3.44Å; K126-H147 PolarHBondContact N-O 2.83Å; Y132-H147 HydrophobicContact CE1-CB 3.77Å; Y132-H147 AromaticContact CE1-CD2 3.77Å; Y132-H147 AromaticContact CE1-CE1 4Å; Y132-H147 AromaticContact CE1-CG 3.43Å; Y132-H147 VanDerWaalsContact CE1-CG 3.43Å; Y132-H147 AromaticContact CE1-ND1 3.61Å; Y132-H147 AromaticContact CZ-CG 3.94Å; Y132-H147 WeakPolarHBondContact OH-CB 3.42Å; G143-H147 PolarHBondContact O-CD2 2.82Å; V144-H147 CarbonylContact O-C 3.4Å; V144-H147 PolarHBondContact O-N 2.91Å; G145-H147 PolarHBondContact O-N 2.83Å |
| 148 | T | 97.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 129.9 | -179.2 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | V75 F92 L123 E124 V144 G145 R150 L151 | V75-T148 HydrophobicContact CG2-CG2 3.98Å; F92-T148 HydrophobicContact CE1-CG2 4.26Å; L123-T148 HydrophobicContact CB-CG2 3.95Å; L123-T148 HydrophobicContact CD2-CG2 4.02Å; L123-T148 HydrophobicContact CG-CG2 4.48Å; E124-T148 CarbonylContact O-C 3.58Å; E124-T148 WeakPolarHBondContact O-CA 3.45Å; V144-T148 PolarHBondContact O-N 2.88Å; V144-T148 VanDerWaalsContact O-N 3.12Å; V144-T148 PolarHBondContact O-OG1 3.39Å; G145-T148 WeakPolarHBondContact O-CB 3.26Å; G145-T148 PolarHBondContact O-N 3.49Å; T148-R150 VanDerWaalsContact CG2-O 3.28Å; T148-R150 WeakPolarHBondContact CG2-O 3.49Å; T148-L151 HydrophobicContact CG2-CD2 3.78Å |
| 149 | R | 98.1 | Very high | 96.2 | Very high | 132 Ų | 132 | 29.9 Ų | 29.9 | 50% | 0.498 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -48.7 | 171.6 | -69.9 | -175.1 | 169.8 | 160 | 4.9 | 111.3 | V75 E124 K126 | V75-R149 WeakPolarHBondContact CB-O 3.32Å; V75-R149 PolarHBondContact N-O 3.47Å; E124-R149 PolarHBondContact O-N 3.39Å; K126-R149 HydrophobicContact CG-CG 3.68Å |
| 150 | R | 98.7 | Very high | 96.5 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | -178.8 | -55.6 | -165.8 | -70.5 | 173.3 | -0.4 | 110.7 | L73 D74 E98 E124 T148 | L73-R150 CarbonylContact O-C 3.47Å; L73-R150 VanDerWaalsContact O-CA 3.22Å; L73-R150 WeakPolarHBondContact O-CA 3.49Å; L73-R150 WeakPolarHBondContact O-CB 3.33Å; D74-R150 WeakPolarHBondContact OD1-CD 3.36Å; D74-R150 VanDerWaalsContact OD1-CG 3.26Å; D74-R150 WeakPolarHBondContact OD1-CG 3.49Å; E98-R150 IonicContact OE1-NH1 3.51Å; E98-R150 PolarHBondContact OE1-NH1 3.5Å; E124-R150 HydrophobicContact CB-CB 4.02Å; E124-R150 VanDerWaalsContact CD-NE 3.32Å; E124-R150 PolarHBondContact N-O 2.85Å; E124-R150 PolarHBondContact O-N 2.85Å; E124-R150 IonicContact OE1-CZ 2.95Å; E124-R150 IonicContact OE1-NE 3.58Å; E124-R150 PolarHBondContact OE1-NE 2.76Å; E124-R150 VanDerWaalsContact OE1-NE 3.12Å; E124-R150 IonicContact OE1-NH2 3.56Å; E124-R150 IonicContact OE2-CZ 3.59Å; E124-R150 IonicContact OE2-NE 3.54Å; E124-R150 PolarHBondContact OE2-NE 2.77Å; E124-R150 IonicContact OE2-NH2 3.61Å; E124-R150 PolarHBondContact OE2-NH2 2.82Å; T148-R150 VanDerWaalsContact CG2-O 3.28Å; T148-R150 WeakPolarHBondContact CG2-O 3.49Å |
| 151 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.6 | 161.9 | -54.8 | -172.4 | 0 | 0 | 0 | 108.4 | A72 L73 V75 N89 F92 T94 L121 F122 L123 T148 | A72-L151 CarbonylContact C-O 3.59Å; A72-L151 WeakPolarHBondContact CA-O 3.21Å; L73-L151 HydrophobicContact CB-CB 4.29Å; L73-L151 PolarHBondContact N-O 3.12Å; L73-L151 PolarHBondContact O-N 3.33Å; V75-L151 HydrophobicContact CG2-CD2 4.08Å; V75-L151 HydrophobicContact CG2-CG 3.9Å; N89-L151 WeakPolarHBondContact OD1-CD1 3.5Å; F92-L151 HydrophobicContact CB-CD1 3.79Å; F92-L151 HydrophobicContact CD1-CD1 4.45Å; F92-L151 HydrophobicContact CD1-CD2 4.08Å; F92-L151 HydrophobicContact CD2-CD1 3.88Å; F92-L151 HydrophobicContact CD2-CD2 4.12Å; F92-L151 HydrophobicContact CE1-CD2 4.06Å; F92-L151 HydrophobicContact CE2-CD2 4.1Å; F92-L151 HydrophobicContact CG-CD1 3.8Å; F92-L151 HydrophobicContact CG-CD2 4.12Å; F92-L151 HydrophobicContact CG-CG 4.37Å; F92-L151 HydrophobicContact CZ-CD2 4.07Å; T94-L151 HydrophobicContact CG2-CD1 3.62Å; T94-L151 HydrophobicContact CG2-CG 4.04Å; L121-L151 HydrophobicContact CD1-CB 3.96Å; L121-L151 HydrophobicContact CD1-CD1 4.23Å; L121-L151 HydrophobicContact CD1-CG 4.49Å; F122-L151 WeakPolarHBondContact O-CA 3.43Å; L123-L151 HydrophobicContact CD2-CD2 3.45Å; L123-L151 VanDerWaalsContact CD2-CD2 3.45Å; T148-L151 HydrophobicContact CG2-CD2 3.78Å |
| 152 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 116.1 | 173.5 | -56.7 | 164.3 | 0 | 0 | 0 | 107 | A70 H71 I104 V105 V110 F122 E124 | A70-I152 HydrophobicContact CB-CG2 3.9Å; H71-I152 WeakPolarHBondContact O-CA 3.49Å; I104-I152 HydrophobicContact CG1-CD1 4.18Å; I104-I152 HydrophobicContact CG2-CD1 4.2Å; I104-I152 HydrophobicContact CG2-CG2 4.12Å; V105-I152 HydrophobicContact CG1-CB 4.48Å; V105-I152 HydrophobicContact CG1-CG2 3.84Å; V110-I152 HydrophobicContact CG1-CD1 4.21Å; V110-I152 HydrophobicContact CG2-CD1 4.2Å; F122-I152 HydrophobicContact CB-CB 4.19Å; F122-I152 PolarHBondContact N-O 2.84Å; F122-I152 PolarHBondContact O-N 2.97Å; E124-I152 HydrophobicContact CB-CD1 4.26Å |
| 153 | W | 98.7 | Very high | 97.4 | Very high | 55 Ų | 55 | 32.3 Ų | 32.3 | 21% | 0.208 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.6 | 175.6 | -179 | 85 | 0 | 0 | 0 | 110.4 | I60 K61 H71 A120 P155 | I60-W153 HydrophobicContact CG2-CZ3 4.22Å; K61-W153 HydrophobicContact CG-CH2 4.13Å; H71-W153 HydrophobicContact CB-CB 4.49Å; H71-W153 HydrophobicContact CB-CE3 4.43Å; H71-W153 PolarHBondContact N-O 2.73Å; H71-W153 PolarHBondContact O-N 3.47Å; A120-W153 WeakPolarHBondContact O-CA 3.36Å; W153-P155 HydrophobicContact CH2-CB 3.92Å; W153-P155 HydrophobicContact CZ3-CB 4.32Å |
| 154 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 140.5 | 174.5 | -79.7 | 177.1 | 0 | 0 | 0 | 111.2 | A70 P102 V105 G119 A120 F122 L162 | A70-L154 VanDerWaalsContact CA-CD2 3.49Å; A70-L154 HydrophobicContact CB-CD2 3.72Å; A70-L154 HydrophobicContact CB-CG 4.43Å; P102-L154 HydrophobicContact CB-CD1 4.35Å; P102-L154 HydrophobicContact CB-CD2 3.9Å; P102-L154 HydrophobicContact CG-CD2 4.03Å; V105-L154 HydrophobicContact CB-CD1 4.34Å; V105-L154 HydrophobicContact CG1-CD1 3.6Å; V105-L154 HydrophobicContact CG1-CG 4.31Å; V105-L154 HydrophobicContact CG2-CD1 3.84Å; G119-L154 CarbonylContact C-O 3.58Å; G119-L154 WeakPolarHBondContact CA-O 3.47Å; A120-L154 PolarHBondContact N-O 2.82Å; A120-L154 PolarHBondContact O-N 2.75Å; F122-L154 HydrophobicContact CD2-CD1 4.32Å; F122-L154 HydrophobicContact CE2-CB 4.12Å; F122-L154 HydrophobicContact CE2-CD1 3.69Å; F122-L154 HydrophobicContact CE2-CG 4.2Å; F122-L154 HydrophobicContact CZ-CD1 4.14Å; L154-L162 HydrophobicContact CD1-CD1 3.9Å |
| 155 | P | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.078 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 153.2 | 166.9 | 31.1 | -35.6 | 0 | 0 | 0 | 110.4 | I60 S69 W153 D157 S158 C159 | I60-P155 HydrophobicContact CG2-CB 4.46Å; I60-P155 HydrophobicContact CG2-CG 3.75Å; S69-P155 WeakPolarHBondContact O-CD 3.39Å; W153-P155 HydrophobicContact CH2-CB 3.92Å; W153-P155 HydrophobicContact CZ3-CB 4.32Å; P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.03Å; P155-S158 WeakPolarHBondContact CG-OG 3.46Å; P155-S158 PolarHBondContact O-N 2.58Å; P155-C159 PolarHBondContact O-N 3.11Å; P155-C159 PolarHBondContact O-SG 3.39Å; P155-C159 VanDerWaalsContact O-SG 3.35Å |
| 156 | L | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -37.9 | -177.4 | -81.3 | -175.5 | 0 | 0 | 0 | 113.4 | I115 D116 N117 K118 S158 C159 F160 I228 | I115-L156 HydrophobicContact CD1-CD2 3.92Å; I115-L156 HydrophobicContact CG1-CD2 3.95Å; D116-L156 WeakPolarHBondContact O-CD1 3.45Å; N117-L156 VanDerWaalsContact C-CD1 3.44Å; N117-L156 WeakPolarHBondContact O-CD1 3.43Å; K118-L156 PolarHBondContact O-N 3.02Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 2.9Å; L156-C159 CarbonylContact O-C 3.27Å; L156-C159 WeakPolarHBondContact O-CA 3.48Å; L156-C159 VanDerWaalsContact O-CB 3.31Å; L156-C159 WeakPolarHBondContact O-CB 3.37Å; L156-C159 PolarHBondContact O-N 3.18Å; L156-F160 HydrophobicContact CB-CE2 4.02Å; L156-F160 HydrophobicContact CB-CZ 4.11Å; L156-F160 HydrophobicContact CD1-CZ 4.25Å; L156-F160 WeakPolarHBondContact O-CD2 3.42Å; L156-F160 VanDerWaalsContact O-CG 3.29Å; L156-F160 WeakPolarHBondContact O-CG 3.48Å; L156-F160 PolarHBondContact O-N 3.16Å; L156-I228 HydrophobicContact CD1-CD1 3.79Å; L156-I228 HydrophobicContact CD1-CG1 4.14Å; L156-I228 HydrophobicContact CD2-CG1 4.37Å |
| 157 | D | 98.3 | Very high | 98.2 | Very high | 107 Ų | 107 | 36.8 Ų | 36.8 | 57% | 0.572 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -63.3 | -37.6 | -178.7 | -67.1 | -29.2 | 0 | 0 | 0 | 112 | P155 C159 F160 R161 | P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.03Å; D157-C159 VanDerWaalsContact C-N 3.34Å; D157-F160 PolarHBondContact O-N 3.39Å; D157-R161 PolarHBondContact O-N 2.96Å |
| 158 | S | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | 172.1 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | Y66 S69 P155 L156 F160 R161 L162 | Y66-S158 WeakPolarHBondContact CD2-OG 3.45Å; S69-S158 PolarHBondContact OG-OG 2.99Å; P155-S158 WeakPolarHBondContact CG-OG 3.46Å; P155-S158 PolarHBondContact O-N 2.58Å; L156-S158 VanDerWaalsContact C-N 3.29Å; L156-S158 PolarHBondContact O-N 2.9Å; S158-F160 VanDerWaalsContact C-N 3.34Å; S158-F160 PolarHBondContact O-N 3.16Å; S158-R161 PolarHBondContact O-N 2.94Å; S158-L162 WeakPolarHBondContact O-CG 3.05Å; S158-L162 PolarHBondContact O-N 2.98Å |
| 159 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -40.1 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | A120 P155 L156 D157 A163 L235 | A120-C159 VanDerWaalsContact CB-SG 3.6Å; P155-C159 PolarHBondContact O-N 3.11Å; P155-C159 PolarHBondContact O-SG 3.39Å; P155-C159 VanDerWaalsContact O-SG 3.35Å; L156-C159 CarbonylContact O-C 3.27Å; L156-C159 WeakPolarHBondContact O-CA 3.48Å; L156-C159 VanDerWaalsContact O-CB 3.31Å; L156-C159 WeakPolarHBondContact O-CB 3.37Å; L156-C159 PolarHBondContact O-N 3.18Å; D157-C159 VanDerWaalsContact C-N 3.34Å; C159-A163 VanDerWaalsContact O-CB 3.25Å; C159-A163 WeakPolarHBondContact O-CB 3.36Å; C159-A163 PolarHBondContact O-N 2.66Å; C159-L235 HydrophobicContact CB-CD1 4.05Å |
| 160 | F | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 4% | 0.044 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 176.1 | -62.3 | -31.9 | 0 | 0 | 0 | 111.3 | L156 D157 S158 L162 A163 D164 R227 I228 A231 | L156-F160 HydrophobicContact CB-CE2 4.02Å; L156-F160 HydrophobicContact CB-CZ 4.11Å; L156-F160 HydrophobicContact CD1-CZ 4.25Å; L156-F160 WeakPolarHBondContact O-CD2 3.42Å; L156-F160 VanDerWaalsContact O-CG 3.29Å; L156-F160 WeakPolarHBondContact O-CG 3.48Å; L156-F160 PolarHBondContact O-N 3.16Å; D157-F160 PolarHBondContact O-N 3.39Å; S158-F160 VanDerWaalsContact C-N 3.34Å; S158-F160 PolarHBondContact O-N 3.16Å; F160-L162 PolarHBondContact O-N 2.91Å; F160-A163 PolarHBondContact O-N 3.14Å; F160-D164 PolarHBondContact O-N 2.99Å; F160-R227 HydrophobicContact CD1-CG 4.07Å; F160-R227 HydrophobicContact CE1-CB 4.49Å; F160-R227 HydrophobicContact CE1-CG 3.77Å; F160-R227 HydrophobicContact CE2-CG 4.47Å; F160-R227 HydrophobicContact CZ-CG 3.98Å; F160-I228 HydrophobicContact CE1-CG1 4.05Å; F160-I228 HydrophobicContact CZ-CG1 3.89Å; F160-A231 HydrophobicContact CD1-CB 3.68Å; F160-A231 HydrophobicContact CE1-CB 4.05Å |
| 161 | R | 98.4 | Very high | 98.2 | Very high | 115 Ų | 115 | 34 Ų | 34 | 43% | 0.434 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 177.9 | -177.9 | 166 | 171.6 | -165.6 | -0.7 | 112 | Y66 D157 S158 D164 Q165 | Y66-R161 VanDerWaalsContact CE1-CZ 3.49Å; Y66-R161 VanDerWaalsContact CE1-NH1 3.3Å; Y66-R161 HydrophobicContact CE2-CB 4.1Å; Y66-R161 HydrophobicContact CE2-CG 4.1Å; Y66-R161 VanDerWaalsContact CG-NH1 3.28Å; D157-R161 PolarHBondContact O-N 2.96Å; S158-R161 PolarHBondContact O-N 2.94Å; R161-D164 PolarHBondContact O-N 3.46Å; R161-Q165 VanDerWaalsContact O-CG 3.31Å; R161-Q165 WeakPolarHBondContact O-CG 3.31Å; R161-Q165 PolarHBondContact O-N 2.83Å; R161-Q165 VanDerWaalsContact O-N 3.1Å |
| 162 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.9 | -71.5 | 177.2 | 0 | 0 | 0 | 112.1 | P102 E103 V105 L106 L154 S158 F160 D164 Q165 I166 L235 | P102-L162 HydrophobicContact CB-CD1 3.74Å; P102-L162 HydrophobicContact CB-CD2 4.22Å; P102-L162 HydrophobicContact CB-CG 4.12Å; E103-L162 HydrophobicContact CG-CD2 3.95Å; V105-L162 HydrophobicContact CG2-CD1 3.53Å; L106-L162 HydrophobicContact CD1-CD2 4.44Å; L154-L162 HydrophobicContact CD1-CD1 3.9Å; S158-L162 WeakPolarHBondContact O-CG 3.05Å; S158-L162 PolarHBondContact O-N 2.98Å; F160-L162 PolarHBondContact O-N 2.91Å; L162-D164 VanDerWaalsContact C-N 3.33Å; L162-D164 PolarHBondContact O-N 3.35Å; L162-Q165 WeakPolarHBondContact O-CB 3.05Å; L162-Q165 PolarHBondContact O-N 3.19Å; L162-I166 WeakPolarHBondContact O-CB 3.24Å; L162-I166 WeakPolarHBondContact O-CD1 3.46Å; L162-I166 WeakPolarHBondContact O-CG1 3.37Å; L162-I166 PolarHBondContact O-N 3.28Å; L162-L235 HydrophobicContact CB-CD2 4.11Å |
| 163 | A | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C159 F160 Q165 I166 G167 A231 F234 | C159-A163 VanDerWaalsContact O-CB 3.25Å; C159-A163 WeakPolarHBondContact O-CB 3.36Å; C159-A163 PolarHBondContact O-N 2.66Å; F160-A163 PolarHBondContact O-N 3.14Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 2.87Å; A163-I166 PolarHBondContact O-N 3.1Å; A163-G167 PolarHBondContact O-N 3Å; A163-A231 HydrophobicContact CB-CB 3.71Å; A163-F234 HydrophobicContact CB-CB 4.08Å; A163-F234 HydrophobicContact CB-CD2 4.29Å; A163-F234 WeakPolarHBondContact O-CD2 3.41Å |
| 164 | D | 98.3 | Very high | 97.9 | Very high | 98 Ų | 98 | 42.7 Ų | 42.7 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 178.4 | -69.4 | -27.9 | 0 | 0 | 0 | 112.1 | F160 R161 L162 | F160-D164 PolarHBondContact O-N 2.99Å; R161-D164 PolarHBondContact O-N 3.46Å; L162-D164 VanDerWaalsContact C-N 3.33Å; L162-D164 PolarHBondContact O-N 3.35Å |
| 165 | Q | 97.8 | Very high | 97.8 | Very high | 101 Ų | 101 | 46.3 Ų | 46.3 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 172.8 | -71.5 | 171 | -18.8 | 0 | 0 | 112.7 | R161 L162 A163 | R161-Q165 VanDerWaalsContact O-CG 3.31Å; R161-Q165 WeakPolarHBondContact O-CG 3.31Å; R161-Q165 PolarHBondContact O-N 2.83Å; R161-Q165 VanDerWaalsContact O-N 3.1Å; L162-Q165 WeakPolarHBondContact O-CB 3.05Å; L162-Q165 PolarHBondContact O-N 3.19Å; A163-Q165 VanDerWaalsContact C-N 3.3Å; A163-Q165 PolarHBondContact O-N 2.87Å |
| 166 | I | 97.7 | Very high | 97.8 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.108 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 178.9 | -70.6 | 166.3 | 0 | 0 | 0 | 110.5 | L106 L162 A163 R172 F234 L235 K238 | L106-I166 HydrophobicContact CD2-CD1 3.52Å; L106-I166 HydrophobicContact CD2-CG1 4.02Å; L162-I166 WeakPolarHBondContact O-CB 3.24Å; L162-I166 WeakPolarHBondContact O-CD1 3.46Å; L162-I166 WeakPolarHBondContact O-CG1 3.37Å; L162-I166 PolarHBondContact O-N 3.28Å; A163-I166 PolarHBondContact O-N 3.1Å; I166-R172 PolarHBondContact O-NH1 3.2Å; I166-F234 HydrophobicContact CG2-CB 4.44Å; I166-L235 HydrophobicContact CD1-CD2 3.6Å; I166-L235 HydrophobicContact CD1-CG 4.3Å; I166-K238 HydrophobicContact CD1-CB 4.11Å; I166-K238 HydrophobicContact CG2-CB 4.33Å |
| 167 | G | 96.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | trans | 73.2 | -178.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A163 R172 | A163-G167 PolarHBondContact O-N 3Å; G167-R172 PolarHBondContact O-NH1 3.37Å | ||
| 168 | D | 97.9 | Very high | 97.9 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | trans | -68.9 | 131.3 | 179.2 | -169.9 | -45 | 0 | 0 | 0 | 110.3 | A170 S171 F234 | D168-A170 PolarHBondContact O-N 2.86Å; D168-A170 WeakPolarHBondContact OD1-CB 3.41Å; D168-A170 PolarHBondContact OD1-N 3.02Å; D168-S171 PolarHBondContact O-N 3.47Å; D168-S171 PolarHBondContact O-OG 3.12Å; D168-F234 HydrophobicContact CB-CE1 4.28Å; D168-F234 HydrophobicContact CB-CZ 3.9Å | ||
| 169 | P | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -50.7 | -32.5 | 174.8 | -28.1 | 35.4 | 0 | 0 | 0 | 114.4 | S171 R172 Q174 V176 L237 L267 | P169-S171 VanDerWaalsContact C-N 3.34Å; P169-S171 PolarHBondContact O-N 3.24Å; P169-R172 CarbonylContact O-C 3.55Å; P169-R172 PolarHBondContact O-N 2.97Å; P169-R172 VanDerWaalsContact O-N 3.09Å; P169-Q174 CarbonylContact C-O 3.56Å; P169-Q174 HydrophobicContact CB-CB 4.13Å; P169-Q174 WeakPolarHBondContact O-CB 3.4Å; P169-Q174 PolarHBondContact O-N 3.13Å; P169-V176 HydrophobicContact CB-CG2 3.67Å; P169-V176 HydrophobicContact CG-CG2 4.03Å; P169-L237 HydrophobicContact CG-CB 3.79Å; P169-L237 HydrophobicContact CG-CD1 4.04Å; P169-L267 HydrophobicContact CG-CD2 4.35Å |
| 170 | A | 97.4 | Very high | 97.9 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -66.1 | -32.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D168 R172 N173 S269 | D168-A170 PolarHBondContact O-N 2.86Å; D168-A170 WeakPolarHBondContact OD1-CB 3.41Å; D168-A170 PolarHBondContact OD1-N 3.02Å; A170-R172 PolarHBondContact O-N 3.35Å; A170-R172 VanDerWaalsContact O-N 3.16Å; A170-N173 PolarHBondContact O-N 3.33Å; A170-S269 WeakPolarHBondContact CB-OG 3.47Å |
| 171 | S | 97.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 40 Ų | 40 | 65% | 0.65 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -68.5 | -12.7 | 175.5 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | D168 P169 | D168-S171 PolarHBondContact O-N 3.47Å; D168-S171 PolarHBondContact O-OG 3.12Å; P169-S171 VanDerWaalsContact C-N 3.34Å; P169-S171 PolarHBondContact O-N 3.24Å |
| 172 | R | 95.2 | Very high | 97.6 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -103.9 | 15.4 | 174.2 | -53 | -173.7 | -57.1 | -117.4 | 3.4 | 112.6 | I166 G167 P169 A170 Q174 L237 | I166-R172 PolarHBondContact O-NH1 3.2Å; G167-R172 PolarHBondContact O-NH1 3.37Å; P169-R172 CarbonylContact O-C 3.55Å; P169-R172 PolarHBondContact O-N 2.97Å; P169-R172 VanDerWaalsContact O-N 3.09Å; A170-R172 PolarHBondContact O-N 3.35Å; A170-R172 VanDerWaalsContact O-N 3.16Å; R172-Q174 HydrophobicContact CB-CG 4.33Å; R172-Q174 PolarHBondContact O-N 3.4Å; R172-L237 PolarHBondContact NH2-O 3.43Å |
| 173 | N | 96 | Very high | 97.3 | Very high | 151 Ų | 151 | 34.9 Ų | 34.9 | 81% | 0.807 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.1 | -175.3 | -59.3 | -46.6 | 0 | 0 | 0 | 114 | A170 | A170-N173 PolarHBondContact O-N 3.33Š|
| 174 | Q | 97.4 | Very high | 97 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | trans | -96.5 | 121.2 | 176 | -63.7 | 178 | -47.3 | 0 | 0 | 110.1 | P169 R172 I245 C246 Y248 | P169-Q174 CarbonylContact C-O 3.56Å; P169-Q174 HydrophobicContact CB-CB 4.13Å; P169-Q174 WeakPolarHBondContact O-CB 3.4Å; P169-Q174 PolarHBondContact O-N 3.13Å; R172-Q174 HydrophobicContact CB-CG 4.33Å; R172-Q174 PolarHBondContact O-N 3.4Å; Q174-I245 PolarHBondContact NE2-O 3.01Å; Q174-C246 VanDerWaalsContact CA-O 3.31Å; Q174-C246 WeakPolarHBondContact CA-O 3.4Å; Q174-Y248 HydrophobicContact CB-CD2 4.43Å; Q174-Y248 HydrophobicContact CB-CE2 4.24Å; Q174-Y248 HydrophobicContact CG-CE2 4.42Å | ||
| 175 | R | 97.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133.2 | 177 | 166.5 | -171.2 | -174.6 | 94.6 | 1.2 | 110.1 | C246 R247 Y248 H271 M381 C382 | R175-C246 PolarHBondContact N-O 2.8Å; R175-C246 VanDerWaalsContact N-O 3.08Å; R175-R247 HydrophobicContact CB-CG 3.62Å; R175-R247 HydrophobicContact CG-CG 4.07Å; R175-R247 CarbonylContact O-C 3.56Å; R175-R247 VanDerWaalsContact O-CA 3.26Å; R175-R247 WeakPolarHBondContact O-CA 3.49Å; R175-Y248 PolarHBondContact O-N 3.39Å; R175-H271 VanDerWaalsContact CZ-NE2 3.33Å; R175-H271 PolarHBondContact NH1-CD2 2.98Å; R175-H271 PolarHBondContact NH1-NE2 3.42Å; R175-H271 PolarHBondContact NH2-CD2 2.87Å; R175-H271 PolarHBondContact NH2-NE2 3.01Å; R175-M381 PolarHBondContact NH2-O 2.93Å; R175-M381 VanDerWaalsContact NH2-O 3.1Å; R175-C382 PolarHBondContact NE-O 2.51Å |
| 176 | V | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.7 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | P169 F178 L237 Y248 A270 H271 | P169-V176 HydrophobicContact CB-CG2 3.67Å; P169-V176 HydrophobicContact CG-CG2 4.03Å; V176-F178 HydrophobicContact CG1-CD2 3.96Å; V176-F178 HydrophobicContact CG1-CE2 3.51Å; V176-F178 HydrophobicContact CG1-CZ 4.4Å; V176-L237 HydrophobicContact CG1-CD1 3.78Å; V176-L237 HydrophobicContact CG2-CD1 3.98Å; V176-Y248 CarbonylContact C-O 3.56Å; V176-Y248 WeakPolarHBondContact CA-O 3.4Å; V176-Y248 HydrophobicContact CG2-CD2 4.46Å; V176-A270 HydrophobicContact CB-CB 4.06Å; V176-A270 HydrophobicContact CG1-CB 4.1Å; V176-A270 WeakPolarHBondContact O-CA 3.46Å; V176-H271 PolarHBondContact O-N 3.4Å |
| 177 | T | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.3 | 174.6 | -53.3 | 0 | 0 | 0 | 0 | 110.4 | L179 Y248 V249 V250 H271 Y273 | T177-L179 HydrophobicContact CG2-CD2 4.01Å; T177-Y248 PolarHBondContact N-O 2.94Å; T177-V249 CarbonylContact O-C 3.47Å; T177-V249 WeakPolarHBondContact O-CA 3.15Å; T177-V250 PolarHBondContact O-N 3.49Å; T177-H271 CarbonylContact C-O 3.38Å; T177-H271 VanDerWaalsContact CA-O 3.27Å; T177-H271 WeakPolarHBondContact CA-O 3.27Å; T177-H271 HydrophobicContact CG2-CB 4.27Å; T177-Y273 HydrophobicContact CG2-CD2 3.89Å; T177-Y273 HydrophobicContact CG2-CE2 4.04Å |
| 178 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.4 | 171.9 | -76.6 | -96 | 0 | 0 | 0 | 110.9 | V176 F180 L233 V250 P252 I263 L267 A270 H271 Y273 | V176-F178 HydrophobicContact CG1-CD2 3.96Å; V176-F178 HydrophobicContact CG1-CE2 3.51Å; V176-F178 HydrophobicContact CG1-CZ 4.4Å; F178-F180 HydrophobicContact CB-CD2 3.94Å; F178-F180 HydrophobicContact CB-CE2 3.47Å; F178-F180 VanDerWaalsContact CB-CE2 3.47Å; F178-F180 HydrophobicContact CB-CZ 4.09Å; F178-F180 HydrophobicContact CD1-CE2 4.44Å; F178-F180 HydrophobicContact CD1-CZ 4.2Å; F178-F180 HydrophobicContact CG-CE2 4.15Å; F178-F180 HydrophobicContact CG-CZ 4.32Å; F178-L233 HydrophobicContact CE1-CD2 4.5Å; F178-L233 HydrophobicContact CZ-CD2 4Å; F178-V250 CarbonylContact C-O 3.56Å; F178-V250 WeakPolarHBondContact CA-O 3.35Å; F178-V250 HydrophobicContact CD1-CB 3.74Å; F178-V250 HydrophobicContact CD1-CG1 3.92Å; F178-V250 HydrophobicContact CE1-CB 3.66Å; F178-V250 HydrophobicContact CE1-CG1 3.62Å; F178-V250 HydrophobicContact CE1-CG2 4.1Å; F178-V250 HydrophobicContact CG-CB 4.34Å; F178-V250 HydrophobicContact CZ-CB 4.19Å; F178-V250 HydrophobicContact CZ-CG1 4.43Å; F178-V250 HydrophobicContact CZ-CG2 4.14Å; F178-P252 HydrophobicContact CD1-CG 3.94Å; F178-I263 HydrophobicContact CD1-CG2 4.15Å; F178-I263 HydrophobicContact CD2-CG2 3.99Å; F178-I263 HydrophobicContact CE1-CD1 4.43Å; F178-I263 HydrophobicContact CE1-CG2 3.87Å; F178-I263 HydrophobicContact CE2-CG2 3.7Å; F178-I263 HydrophobicContact CG-CG2 4.22Å; F178-I263 HydrophobicContact CZ-CG2 3.65Å; F178-L267 HydrophobicContact CE2-CD1 3.79Å; F178-L267 HydrophobicContact CZ-CD1 4.12Å; F178-A270 HydrophobicContact CD2-CB 4.08Å; F178-A270 HydrophobicContact CE2-CB 4.22Å; F178-H271 PolarHBondContact N-O 3.25Å; F178-Y273 PolarHBondContact O-N 2.9Å |
| 179 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 75.9 | 174 | -56.3 | -176.7 | 0 | 0 | 0 | 109.6 | T177 N181 M190 V191 V249 V250 Y273 I275 | T177-L179 HydrophobicContact CG2-CD2 4.01Å; L179-N181 PolarHBondContact O-ND2 3.2Å; L179-M190 HydrophobicContact CD1-CB 4.26Å; L179-M190 HydrophobicContact CD1-CE 4.48Å; L179-V191 HydrophobicContact CD1-CG1 4.07Å; L179-V249 HydrophobicContact CD1-CG1 3.85Å; L179-V249 HydrophobicContact CG-CG1 4.09Å; L179-V250 PolarHBondContact N-O 3.16Å; L179-Y273 HydrophobicContact CD2-CD2 4.28Å; L179-I275 HydrophobicContact CB-CG1 4.3Å; L179-I275 HydrophobicContact CD2-CD1 4.43Å |
| 180 | F | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 150.7 | 169.2 | -64.4 | -83.1 | 0 | 0 | 0 | 109.5 | F178 P252 I256 L257 A260 I263 C272 Y273 I275 F359 | F178-F180 HydrophobicContact CB-CD2 3.94Å; F178-F180 HydrophobicContact CB-CE2 3.47Å; F178-F180 VanDerWaalsContact CB-CE2 3.47Å; F178-F180 HydrophobicContact CB-CZ 4.09Å; F178-F180 HydrophobicContact CD1-CE2 4.44Å; F178-F180 HydrophobicContact CD1-CZ 4.2Å; F178-F180 HydrophobicContact CG-CE2 4.15Å; F178-F180 HydrophobicContact CG-CZ 4.32Å; F180-P252 HydrophobicContact CD1-CG 4.06Å; F180-P252 HydrophobicContact CE1-CG 3.98Å; F180-I256 HydrophobicContact CE1-CG2 4.28Å; F180-L257 HydrophobicContact CB-CD1 3.95Å; F180-L257 HydrophobicContact CD1-CD1 4.46Å; F180-L257 HydrophobicContact CG-CD1 4.34Å; F180-A260 HydrophobicContact CD1-CB 4.03Å; F180-A260 HydrophobicContact CD2-CB 4.05Å; F180-A260 HydrophobicContact CE1-CB 3.65Å; F180-A260 HydrophobicContact CE2-CB 3.69Å; F180-A260 HydrophobicContact CG-CB 4.21Å; F180-A260 VanDerWaalsContact CZ-CA 3.48Å; F180-A260 HydrophobicContact CZ-CB 3.49Å; F180-A260 VanDerWaalsContact CZ-CB 3.49Å; F180-I263 HydrophobicContact CE1-CD1 3.89Å; F180-I263 HydrophobicContact CZ-CB 4.34Å; F180-I263 HydrophobicContact CZ-CD1 3.74Å; F180-I263 HydrophobicContact CZ-CG2 4.34Å; F180-C272 HydrophobicContact CD2-CB 4.29Å; F180-C272 HydrophobicContact CE2-CB 4.07Å; F180-Y273 WeakPolarHBondContact CB-O 3.42Å; F180-Y273 PolarHBondContact N-O 3.09Å; F180-I275 PolarHBondContact O-N 3.01Å; F180-F359 HydrophobicContact CB-CE2 4.13Å; F180-F359 HydrophobicContact CB-CZ 3.77Å; F180-F359 AromaticContact CD2-CE2 3.63Å; F180-F359 HydrophobicContact CD2-CE2 3.63Å; F180-F359 AromaticContact CD2-CZ 3.59Å; F180-F359 HydrophobicContact CD2-CZ 3.59Å; F180-F359 HydrophobicContact CE2-CE2 4.45Å; F180-F359 HydrophobicContact CE2-CZ 4.38Å; F180-F359 HydrophobicContact CG-CE2 4.19Å; F180-F359 AromaticContact CG-CZ 3.8Å; F180-F359 HydrophobicContact CG-CZ 3.8Å |
| 181 | N | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 151 | -169.5 | 64 | 91.2 | 0 | 0 | 0 | 112.4 | L179 G183 C185 P252 F254 I275 | L179-N181 PolarHBondContact O-ND2 3.2Å; N181-G183 PolarHBondContact O-N 3.35Å; N181-G183 PolarHBondContact OD1-N 3.24Å; N181-C185 VanDerWaalsContact CB-SG 3.6Å; N181-P252 PolarHBondContact ND2-O 3.14Å; N181-F254 VanDerWaalsContact O-CA 3.27Å; N181-F254 WeakPolarHBondContact O-CA 3.14Å; N181-F254 WeakPolarHBondContact O-CB 3.31Å; N181-F254 WeakPolarHBondContact OD1-CB 3.41Å; N181-I275 VanDerWaalsContact CA-O 3.27Å; N181-I275 WeakPolarHBondContact CA-O 3.11Å; N181-I275 HydrophobicContact CB-CB 4.27Å |
| 182 | S | 94.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.028 | 11% | 0.105 | C | C | . | . | trans | -74.4 | -3.1 | 176.1 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | C185 I275 M282 H286 N346 | S182-C185 WeakPolarHBondContact OG-CB 3.31Å; S182-I275 PolarHBondContact N-O 3.49Å; S182-M282 WeakPolarHBondContact O-CE 3.27Å; S182-H286 PolarHBondContact O-CE1 2.93Å; S182-H286 VanDerWaalsContact O-CE1 3.32Å; S182-N346 PolarHBondContact O-ND2 3.03Å | ||
| 183 | G | 92.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 78.8 | 151 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N181 C185 F254 H286 | N181-G183 PolarHBondContact O-N 3.35Å; N181-G183 PolarHBondContact OD1-N 3.24Å; G183-C185 PolarHBondContact O-N 3.44Å; G183-F254 VanDerWaalsContact N-CB 3.33Å; G183-H286 PolarHBondContact O-CE1 3.04Å |
| 184 | R | 92.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 11.5 Ų | 11.5 | 20% | 0.204 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 42.9 | 30.3 | -179.7 | -55.2 | -56.7 | -58.2 | 165.3 | 0.3 | 115.1 | A285 H286 F290 F406 | R184-A285 HydrophobicContact CB-CB 3.9Å; R184-A285 HydrophobicContact CG-CB 4.4Å; R184-H286 HydrophobicContact CG-CB 4.43Å; R184-F290 HydrophobicContact CG-CE2 4.04Å; R184-F406 PolarHBondContact NH2-O 3.39Å |
| 185 | C | 93.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.007 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -113.4 | 18.9 | -175.6 | 61 | 0 | 0 | 0 | 0 | 112.2 | N181 S182 G183 S187 I275 R277 Y364 | N181-C185 VanDerWaalsContact CB-SG 3.6Å; S182-C185 WeakPolarHBondContact OG-CB 3.31Å; G183-C185 PolarHBondContact O-N 3.44Å; C185-S187 VanDerWaalsContact C-N 3.31Å; C185-S187 PolarHBondContact O-N 3.45Å; C185-I275 PolarHBondContact SG-O 3.3Å; C185-R277 HydrophobicContact CB-CB 4.04Å; C185-Y364 WeakPolarHBondContact O-CB 3.04Å; C185-Y364 WeakPolarHBondContact O-CD2 3.22Å |
| 186 | G | 93.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 13.7 Ų | 13.7 | 18% | 0.175 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 76.2 | 8.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | T188 L189 M190 Y364 | G186-T188 PolarHBondContact O-N 3.22Å; G186-T188 VanDerWaalsContact O-N 3.1Å; G186-L189 WeakPolarHBondContact O-CB 3.37Å; G186-L189 PolarHBondContact O-N 3.12Å; G186-M190 PolarHBondContact O-N 3.42Å; G186-Y364 VanDerWaalsContact CA-CE2 3.45Å |
| 187 | S | 96.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.028 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -52.3 | -32.3 | 170.8 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | C185 M190 V191 | C185-S187 VanDerWaalsContact C-N 3.31Å; C185-S187 PolarHBondContact O-N 3.45Å; S187-M190 PolarHBondContact O-N 2.96Å; S187-V191 PolarHBondContact O-N 3.09Å; S187-V191 VanDerWaalsContact O-N 3.15Å |
| 188 | T | 95.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 14.3 Ų | 14.3 | 6% | 0.061 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 174.2 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | L138 G186 V191 K192 K251 A400 Q401 | L138-T188 HydrophobicContact CD1-CG2 3.3Å; L138-T188 HydrophobicContact CD2-CG2 3.96Å; L138-T188 HydrophobicContact CG-CG2 3.74Å; G186-T188 PolarHBondContact O-N 3.22Å; G186-T188 VanDerWaalsContact O-N 3.1Å; T188-V191 WeakPolarHBondContact O-CG2 3.34Å; T188-K192 PolarHBondContact O-N 3.36Å; T188-K251 PolarHBondContact OG1-NZ 3.43Å; T188-K251 VanDerWaalsContact OG1-NZ 3.13Å; T188-A400 HydrophobicContact CG2-CB 4.45Å; T188-Q401 HydrophobicContact CG2-CG 3.9Å; T188-Q401 PolarHBondContact OG1-NE2 3.3Å |
| 189 | L | 96 | Very high | 96 | Very high | 16 Ų | 16 | 19.6 Ų | 19.6 | 8% | 0.084 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 173.6 | 174.5 | 61.7 | 0 | 0 | 0 | 110.3 | G186 V191 K192 I193 Y364 F374 A400 | G186-L189 WeakPolarHBondContact O-CB 3.37Å; G186-L189 PolarHBondContact O-N 3.12Å; L189-V191 PolarHBondContact O-N 3.48Å; L189-K192 PolarHBondContact O-N 2.76Å; L189-K192 VanDerWaalsContact O-N 3.14Å; L189-I193 HydrophobicContact CD1-CD1 4.17Å; L189-I193 HydrophobicContact CD1-CG1 4.2Å; L189-I193 HydrophobicContact CG-CD1 3.9Å; L189-I193 HydrophobicContact CG-CG1 4.39Å; L189-I193 WeakPolarHBondContact O-CG1 3.41Å; L189-I193 PolarHBondContact O-N 3.25Å; L189-Y364 HydrophobicContact CD2-CE2 4.2Å; L189-F374 HydrophobicContact CD2-CE1 4.37Å; L189-A400 HydrophobicContact CB-CB 3.73Å; L189-A400 HydrophobicContact CD1-CB 3.98Å; L189-A400 HydrophobicContact CG-CB 4.45Å |
| 190 | M | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | -179.3 | -60.6 | 172.7 | 70.1 | 0 | 0 | 112.2 | L179 G186 S187 K192 I193 V194 I275 Y362 F374 V378 M381 | L179-M190 HydrophobicContact CD1-CB 4.26Å; L179-M190 HydrophobicContact CD1-CE 4.48Å; G186-M190 PolarHBondContact O-N 3.42Å; S187-M190 PolarHBondContact O-N 2.96Å; M190-K192 VanDerWaalsContact C-N 3.32Å; M190-K192 PolarHBondContact O-N 3.28Å; M190-I193 WeakPolarHBondContact O-CB 3.08Å; M190-I193 PolarHBondContact O-N 3.07Å; M190-V194 WeakPolarHBondContact O-CG2 3.41Å; M190-V194 PolarHBondContact O-N 3.1Å; M190-I275 HydrophobicContact CE-CD1 3.63Å; M190-I275 HydrophobicContact CE-CG1 4.12Å; M190-I275 HydrophobicContact SD-CB 4.32Å; M190-I275 HydrophobicContact SD-CD1 3.93Å; M190-I275 HydrophobicContact SD-CG1 3.83Å; M190-I275 HydrophobicContact SD-CG2 3.56Å; M190-I275 VanDerWaalsContact SD-CG2 3.56Å; M190-Y362 HydrophobicContact CE-CD1 4.21Å; M190-Y362 HydrophobicContact CE-CE1 4.35Å; M190-F374 HydrophobicContact CG-CZ 3.86Å; M190-V378 HydrophobicContact CB-CG1 4.22Å; M190-V378 HydrophobicContact CB-CG2 4.34Å; M190-V378 HydrophobicContact CE-CG2 3.78Å; M190-V378 HydrophobicContact CG-CG2 3.93Å; M190-M381 HydrophobicContact CE-CE 3.2Å |
| 191 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.8 | -33.4 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | P134 L179 S187 T188 L189 H195 V203 V249 K251 | P134-V191 HydrophobicContact CB-CG2 4.37Å; P134-V191 HydrophobicContact CG-CB 4.46Å; P134-V191 HydrophobicContact CG-CG2 4.39Å; L179-V191 HydrophobicContact CD1-CG1 4.07Å; S187-V191 PolarHBondContact O-N 3.09Å; S187-V191 VanDerWaalsContact O-N 3.15Å; T188-V191 WeakPolarHBondContact O-CG2 3.34Å; L189-V191 PolarHBondContact O-N 3.48Å; V191-H195 VanDerWaalsContact O-CB 3.24Å; V191-H195 WeakPolarHBondContact O-CB 3.27Å; V191-H195 PolarHBondContact O-N 2.88Å; V191-V203 HydrophobicContact CB-CG1 3.6Å; V191-V203 HydrophobicContact CG1-CG1 3.94Å; V191-V249 HydrophobicContact CG1-CG1 4.37Å; V191-K251 HydrophobicContact CG1-CB 3.46Å; V191-K251 VanDerWaalsContact CG1-CB 3.46Å; V191-K251 HydrophobicContact CG1-CD 4.07Å; V191-K251 HydrophobicContact CG1-CG 4.05Å; V191-K251 HydrophobicContact CG2-CD 4.06Å |
| 192 | K | 96 | Very high | 95.8 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 12% | 0.117 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 174.1 | -84.6 | -172.5 | 162.7 | -176.5 | 0 | 111.8 | P134 L138 T188 L189 M190 V194 H195 H196 C395 A400 | P134-K192 HydrophobicContact CB-CG 3.94Å; P134-K192 WeakPolarHBondContact O-CE 3.49Å; L138-K192 HydrophobicContact CD1-CD 4.43Å; T188-K192 PolarHBondContact O-N 3.36Å; L189-K192 PolarHBondContact O-N 2.76Å; L189-K192 VanDerWaalsContact O-N 3.14Å; M190-K192 VanDerWaalsContact C-N 3.32Å; M190-K192 PolarHBondContact O-N 3.28Å; K192-V194 PolarHBondContact O-N 2.85Å; K192-H195 PolarHBondContact O-N 3.1Å; K192-H196 WeakPolarHBondContact O-CB 3.37Å; K192-H196 PolarHBondContact O-N 2.82Å; K192-C395 VanDerWaalsContact C-SG 3.6Å; K192-A400 HydrophobicContact CD-CB 4.12Å; K192-A400 VanDerWaalsContact CD-O 3.31Å; K192-A400 WeakPolarHBondContact CD-O 3.39Å; K192-A400 WeakPolarHBondContact CE-O 3.35Å; K192-A400 PolarHBondContact NZ-O 3.48Å |
| 193 | I | 97 | Very high | 96 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.7 | -53.2 | 174.2 | -72.2 | 167.2 | 0 | 0 | 0 | 109.9 | L189 M190 H195 H196 A197 F374 V378 L379 A392 C395 M396 | L189-I193 HydrophobicContact CD1-CD1 4.17Å; L189-I193 HydrophobicContact CD1-CG1 4.2Å; L189-I193 HydrophobicContact CG-CD1 3.9Å; L189-I193 HydrophobicContact CG-CG1 4.39Å; L189-I193 WeakPolarHBondContact O-CG1 3.41Å; L189-I193 PolarHBondContact O-N 3.25Å; M190-I193 WeakPolarHBondContact O-CB 3.08Å; M190-I193 PolarHBondContact O-N 3.07Å; I193-H195 PolarHBondContact O-N 2.75Å; I193-H196 PolarHBondContact O-N 2.9Å; I193-A197 WeakPolarHBondContact O-CB 3.4Å; I193-A197 PolarHBondContact O-N 2.86Å; I193-F374 HydrophobicContact CD1-CD1 4.25Å; I193-F374 HydrophobicContact CD1-CE1 3.68Å; I193-V378 HydrophobicContact CB-CG1 4.39Å; I193-V378 HydrophobicContact CG2-CG1 4.04Å; I193-L379 HydrophobicContact CG2-CD2 4.46Å; I193-A392 HydrophobicContact CG2-CB 3.64Å; I193-C395 HydrophobicContact CG1-CB 4.32Å; I193-M396 HydrophobicContact CD1-CG 3.88Å; I193-M396 HydrophobicContact CG1-CG 4.23Å |
| 194 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | -178.7 | 173 | 0 | 0 | 0 | 0 | 111.7 | M190 K192 H196 A197 D198 T201 V203 V249 V378 C382 V384 | M190-V194 WeakPolarHBondContact O-CG2 3.41Å; M190-V194 PolarHBondContact O-N 3.1Å; K192-V194 PolarHBondContact O-N 2.85Å; V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 PolarHBondContact O-N 2.95Å; V194-A197 PolarHBondContact O-N 2.85Å; V194-D198 PolarHBondContact O-N 2.86Å; V194-T201 HydrophobicContact CG1-CG2 3.65Å; V194-V203 HydrophobicContact CG1-CG2 4.02Å; V194-V249 HydrophobicContact CG1-CB 4.46Å; V194-V249 HydrophobicContact CG1-CG2 3.97Å; V194-V378 HydrophobicContact CG2-CG1 3.67Å; V194-C382 HydrophobicContact CG1-CB 4.43Å; V194-C382 HydrophobicContact CG2-CB 4.02Å; V194-V384 HydrophobicContact CG1-CG2 3.98Å |
| 195 | H | 96.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 23.5 Ų | 23.5 | 22% | 0.218 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 179.9 | 173.2 | 53.5 | 0 | 0 | 0 | 111.9 | T133 P134 V191 K192 I193 V203 | T133-H195 WeakPolarHBondContact CB-CE1 3.4Å; T133-H195 WeakPolarHBondContact CB-NE2 3.45Å; T133-H195 WeakPolarHBondContact CG2-CE1 3.33Å; T133-H195 WeakPolarHBondContact CG2-NE2 3.38Å; T133-H195 PolarHBondContact OG1-NE2 3.49Å; P134-H195 HydrophobicContact CG-CB 4.29Å; V191-H195 VanDerWaalsContact O-CB 3.24Å; V191-H195 WeakPolarHBondContact O-CB 3.27Å; V191-H195 PolarHBondContact O-N 2.88Å; K192-H195 PolarHBondContact O-N 3.1Å; I193-H195 PolarHBondContact O-N 2.75Å; H195-V203 HydrophobicContact CB-CB 4.08Å; H195-V203 HydrophobicContact CB-CG2 3.75Å |
| 196 | H | 95.5 | Very high | 96.6 | Very high | 97 Ų | 97 | 24.1 Ų | 24.1 | 45% | 0.449 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -72.9 | -34.9 | -178.5 | -175.5 | 77.5 | 0 | 0 | 0 | 112.4 | K192 I193 V194 A391 S394 C395 | K192-H196 WeakPolarHBondContact O-CB 3.37Å; K192-H196 PolarHBondContact O-N 2.82Å; I193-H196 PolarHBondContact O-N 2.9Å; V194-H196 VanDerWaalsContact C-N 3.33Å; V194-H196 PolarHBondContact O-N 2.95Å; H196-A391 PolarHBondContact CD2-O 2.78Å; H196-S394 PolarHBondContact NE2-OG 2.95Å; H196-C395 HydrophobicContact CB-CB 4.11Å |
| 197 | A | 97.2 | Very high | 96.8 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 6% | 0.058 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -74.3 | -27.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I193 V194 L379 C388 A391 A392 | I193-A197 WeakPolarHBondContact O-CB 3.4Å; I193-A197 PolarHBondContact O-N 2.86Å; V194-A197 PolarHBondContact O-N 2.85Å; A197-L379 HydrophobicContact CB-CD2 4.03Å; A197-C388 HydrophobicContact CB-CB 4.04Å; A197-C388 WeakPolarHBondContact O-CB 3.5Å; A197-C388 PolarHBondContact O-SG 3.24Å; A197-A391 HydrophobicContact CB-CB 4.43Å; A197-A392 HydrophobicContact CB-CB 3.91Å |
| 198 | D | 97.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 23.3 Ų | 23.3 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | trans | -147.6 | 108.9 | -167 | -179 | 14.8 | 0 | 0 | 0 | 114.9 | V194 K200 T201 R247 V384 | V194-D198 PolarHBondContact O-N 2.86Å; D198-K200 PolarHBondContact O-N 2.98Å; D198-K200 VanDerWaalsContact O-N 3.16Å; D198-K200 WeakPolarHBondContact OD1-CB 3.35Å; D198-K200 PolarHBondContact OD1-N 3Å; D198-T201 PolarHBondContact O-N 3.08Å; D198-T201 VanDerWaalsContact O-N 3.16Å; D198-T201 PolarHBondContact O-OG1 3.06Å; D198-T201 PolarHBondContact OD2-OG1 3.38Å; D198-R247 IonicContact OD1-NH2 3.84Å; D198-R247 IonicContact OD2-CZ 3.4Å; D198-R247 IonicContact OD2-NH1 2.84Å; D198-R247 PolarHBondContact OD2-NH1 3.12Å; D198-R247 IonicContact OD2-NH2 3.21Å; D198-R247 PolarHBondContact OD2-NH2 3.26Å; D198-V384 HydrophobicContact CB-CG1 3.64Å; D198-V384 HydrophobicContact CB-CG2 4.43Å | ||
| 199 | P | 94.4 | Very high | 96.9 | Very high | 110 Ų | 110 | 22.9 Ų | 22.9 | 71% | 0.714 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.7 | -179.1 | 30.8 | -36.4 | 0 | 0 | 0 | 114 | ||
| 200 | K | 97.1 | Very high | 97 | Very high | 114 Ų | 114 | 22.1 Ų | 22.1 | 50% | 0.496 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.4 | 174.8 | -60.7 | -176.9 | -177.9 | -179.2 | 0 | 112.9 | D198 K244 C246 R247 | D198-K200 PolarHBondContact O-N 2.98Å; D198-K200 VanDerWaalsContact O-N 3.16Å; D198-K200 WeakPolarHBondContact OD1-CB 3.35Å; D198-K200 PolarHBondContact OD1-N 3Å; K200-K244 WeakPolarHBondContact CB-O 3.46Å; K200-K244 WeakPolarHBondContact CG-O 3.26Å; K200-C246 PolarHBondContact O-N 2.87Å; K200-R247 PolarHBondContact O-N 3.08Å |
| 201 | T | 97.7 | Very high | 96.8 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.9 | -179.7 | -42.3 | 0 | 0 | 0 | 0 | 111.7 | V194 D198 V203 R247 V249 | V194-T201 HydrophobicContact CG1-CG2 3.65Å; D198-T201 PolarHBondContact O-N 3.08Å; D198-T201 VanDerWaalsContact O-N 3.16Å; D198-T201 PolarHBondContact O-OG1 3.06Å; D198-T201 PolarHBondContact OD2-OG1 3.38Å; T201-V203 HydrophobicContact CG2-CG2 3.86Å; T201-R247 HydrophobicContact CG2-CB 4.18Å; T201-R247 PolarHBondContact OG1-NH1 2.88Å; T201-V249 HydrophobicContact CG2-CB 4.28Å; T201-V249 HydrophobicContact CG2-CG2 3.72Å |
| 202 | M | 97.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 22.8 Ų | 22.8 | 6% | 0.059 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.3 | 164.4 | -174.2 | 60.1 | 70 | 0 | 0 | 109.8 | I129 E130 L204 T240 I245 R247 Y248 V249 | I129-M202 HydrophobicContact CG2-CE 4.29Å; E130-M202 HydrophobicContact CB-CE 3.97Å; E130-M202 HydrophobicContact CG-CE 3.43Å; E130-M202 VanDerWaalsContact CG-CE 3.43Å; M202-L204 HydrophobicContact CG-CD2 3.84Å; M202-L204 HydrophobicContact CG-CG 4.12Å; M202-L204 HydrophobicContact SD-CD2 4.2Å; M202-T240 HydrophobicContact CE-CG2 4.09Å; M202-I245 HydrophobicContact CB-CG2 3.78Å; M202-I245 HydrophobicContact CE-CD1 4.45Å; M202-I245 HydrophobicContact CE-CG1 4.36Å; M202-R247 PolarHBondContact N-O 2.74Å; M202-Y248 HydrophobicContact CB-CD1 3.65Å; M202-Y248 HydrophobicContact CB-CE1 3.84Å; M202-Y248 HydrophobicContact CB-CG 4.39Å; M202-Y248 HydrophobicContact CG-CD1 3.82Å; M202-Y248 HydrophobicContact CG-CE1 3.87Å; M202-Y248 CarbonylContact O-C 3.57Å; M202-Y248 VanDerWaalsContact O-CA 3.32Å; M202-Y248 WeakPolarHBondContact O-CA 3.49Å; M202-V249 PolarHBondContact O-N 2.9Å |
| 203 | V | 98.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.5 | -179.3 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | P134 V191 V194 H195 T201 V249 | P134-V203 HydrophobicContact CG-CB 4.02Å; P134-V203 HydrophobicContact CG-CG1 3.54Å; V191-V203 HydrophobicContact CB-CG1 3.6Å; V191-V203 HydrophobicContact CG1-CG1 3.94Å; V194-V203 HydrophobicContact CG1-CG2 4.02Å; H195-V203 HydrophobicContact CB-CB 4.08Å; H195-V203 HydrophobicContact CB-CG2 3.75Å; T201-V203 HydrophobicContact CG2-CG2 3.86Å; V203-V249 CarbonylContact C-O 3.51Å; V203-V249 WeakPolarHBondContact CA-O 3.48Å; V203-V249 HydrophobicContact CG2-CB 4.33Å |
| 204 | L | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 98.6 | -177.6 | -54.6 | 179.1 | 0 | 0 | 0 | 109.8 | I129 L140 M202 P207 L236 L237 Y248 V249 V250 K251 | I129-L204 HydrophobicContact CG1-CD2 4.15Å; L140-L204 HydrophobicContact CD1-CB 4.23Å; L140-L204 HydrophobicContact CD1-CD2 4.27Å; M202-L204 HydrophobicContact CG-CD2 3.84Å; M202-L204 HydrophobicContact CG-CG 4.12Å; M202-L204 HydrophobicContact SD-CD2 4.2Å; L204-P207 HydrophobicContact CB-CG 3.91Å; L204-L236 HydrophobicContact CD1-CD1 3.95Å; L204-L236 HydrophobicContact CD1-CG 4.16Å; L204-L237 HydrophobicContact CD1-CD2 4.19Å; L204-Y248 HydrophobicContact CD1-CD1 4.37Å; L204-V249 PolarHBondContact N-O 3.02Å; L204-V250 HydrophobicContact CB-CG2 4.39Å; L204-V250 HydrophobicContact CD1-CG2 4.42Å; L204-V250 WeakPolarHBondContact O-CA 3.4Å; L204-K251 PolarHBondContact O-N 3.04Å |
| 205 | S | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.7 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | L138 L140 K251 | L138-S205 VanDerWaalsContact O-CB 3.23Å; L138-S205 WeakPolarHBondContact O-CB 3.39Å; L138-S205 PolarHBondContact O-OG 3.3Å; L140-S205 WeakPolarHBondContact CB-O 3.29Å; L140-S205 WeakPolarHBondContact CG-O 3.48Å; L140-S205 PolarHBondContact N-O 3.31Å; S205-K251 VanDerWaalsContact OG-CE 3.26Å; S205-K251 WeakPolarHBondContact OG-CE 3.24Å; S205-K251 PolarHBondContact OG-NZ 3.01Å |
| 206 | E | 96.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 21.8 Ų | 21.8 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 53.2 | 65.2 | 179.6 | -49.6 | -176.5 | -159.7 | 0 | 0 | 113 | F139 W141 K251 I253 | F139-E206 HydrophobicContact CD1-CG 4.2Å; F139-E206 WeakPolarHBondContact CD1-OE1 3.42Å; F139-E206 VanDerWaalsContact CE1-OE1 3.27Å; F139-E206 WeakPolarHBondContact CE1-OE1 3.24Å; W141-E206 VanDerWaalsContact CD1-O 3.25Å; W141-E206 PolarHBondContact N-O 3.48Å; W141-E206 PolarHBondContact NE1-OE2 2.93Å; E206-K251 VanDerWaalsContact CA-O 3.23Å; E206-K251 WeakPolarHBondContact CA-O 3.14Å; E206-K251 WeakPolarHBondContact CG-O 3.24Å; E206-K251 PolarHBondContact N-O 3.31Å; E206-K251 WeakPolarHBondContact OE1-CE 3.3Å; E206-K251 IonicContact OE1-NZ 3.64Å; E206-K251 PolarHBondContact OE1-NZ 2.86Å; E206-I253 HydrophobicContact CB-CB 4.39Å; E206-I253 HydrophobicContact CG-CB 4.19Å |
| 207 | P | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.013 | 11% | 0.111 | C | C | . | . | trans | -61.1 | 133.5 | 178.4 | -20.6 | 32.7 | 0 | 0 | 0 | 111.7 | L204 V209 L210 L236 V250 | L204-P207 HydrophobicContact CB-CG 3.91Å; P207-V209 VanDerWaalsContact C-N 3.32Å; P207-V209 HydrophobicContact CB-CG1 4.42Å; P207-V209 PolarHBondContact O-N 2.97Å; P207-L210 HydrophobicContact CB-CG 4.37Å; P207-L210 HydrophobicContact CG-CD1 4.27Å; P207-L210 PolarHBondContact O-N 3.31Å; P207-L236 HydrophobicContact CB-CD1 3.79Å; P207-L236 HydrophobicContact CB-CD2 4.19Å; P207-L236 HydrophobicContact CG-CD1 4.19Å; P207-L236 HydrophobicContact CG-CD2 4.2Å; P207-V250 HydrophobicContact CG-CG1 3.83Å | ||
| 208 | P | 96.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -36 | -175.5 | 18.6 | -29.1 | 0 | 0 | 0 | 113.8 | V87 A113 W141 V144 L210 M211 S212 | V87-P208 HydrophobicContact CB-CB 4.17Å; V87-P208 HydrophobicContact CG2-CB 3.95Å; A113-P208 HydrophobicContact CB-CB 4.38Å; A113-P208 HydrophobicContact CB-CG 4Å; A113-P208 CarbonylContact O-C 3.57Å; A113-P208 VanDerWaalsContact O-C 3.3Å; W141-P208 HydrophobicContact CB-CB 3.85Å; V144-P208 HydrophobicContact CG2-CG 4.21Å; P208-L210 PolarHBondContact O-N 3.19Å; P208-L210 VanDerWaalsContact O-N 3.09Å; P208-M211 WeakPolarHBondContact O-CB 3.35Å; P208-M211 PolarHBondContact O-N 3.48Å; P208-S212 PolarHBondContact O-N 2.94Å |
| 209 | V | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.9 | -30.3 | 179.8 | 69.2 | 0 | 0 | 0 | 0 | 113.3 | I112 A113 I115 P207 M211 S212 L213 A232 L236 | I112-V209 HydrophobicContact CB-CG2 4.46Å; I112-V209 HydrophobicContact CD1-CG2 3.8Å; I112-V209 HydrophobicContact CG1-CB 4.22Å; I112-V209 HydrophobicContact CG1-CG2 3.72Å; I112-V209 HydrophobicContact CG2-CB 3.98Å; I112-V209 HydrophobicContact CG2-CG1 3.92Å; I112-V209 HydrophobicContact CG2-CG2 4.06Å; A113-V209 WeakPolarHBondContact O-CA 3.28Å; A113-V209 PolarHBondContact O-N 3.14Å; I115-V209 HydrophobicContact CG2-CG2 3.88Å; P207-V209 VanDerWaalsContact C-N 3.32Å; P207-V209 HydrophobicContact CB-CG1 4.42Å; P207-V209 PolarHBondContact O-N 2.97Å; V209-M211 VanDerWaalsContact C-N 3.31Å; V209-M211 PolarHBondContact O-N 3.3Å; V209-S212 WeakPolarHBondContact O-CB 3.17Å; V209-S212 PolarHBondContact O-N 3.11Å; V209-S212 VanDerWaalsContact O-N 3.12Å; V209-L213 PolarHBondContact O-N 3.4Å; V209-A232 HydrophobicContact CG2-CB 3.97Å; V209-L236 HydrophobicContact CG1-CB 4.47Å; V209-L236 HydrophobicContact CG1-CD1 4.21Å; V209-L236 HydrophobicContact CG1-CD2 4.1Å |
| 210 | L | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68 | -34.4 | 179.1 | -60.5 | -175.2 | 0 | 0 | 0 | 111.4 | P207 P208 S212 L213 Y214 L233 L236 V250 P252 I256 | P207-L210 HydrophobicContact CB-CG 4.37Å; P207-L210 HydrophobicContact CG-CD1 4.27Å; P207-L210 PolarHBondContact O-N 3.31Å; P208-L210 PolarHBondContact O-N 3.19Å; P208-L210 VanDerWaalsContact O-N 3.09Å; L210-S212 VanDerWaalsContact C-N 3.26Å; L210-S212 PolarHBondContact O-N 3.25Å; L210-L213 HydrophobicContact CD2-CD1 4.13Å; L210-L213 PolarHBondContact O-N 3.25Å; L210-Y214 PolarHBondContact O-N 3.43Å; L210-L233 HydrophobicContact CD2-CD2 3.99Å; L210-L236 HydrophobicContact CD2-CD2 4.32Å; L210-V250 HydrophobicContact CD1-CG1 4.12Å; L210-P252 HydrophobicContact CD1-CB 3.89Å; L210-P252 HydrophobicContact CD1-CG 3.86Å; L210-I256 HydrophobicContact CB-CD1 4.15Å; L210-I256 HydrophobicContact CB-CG1 4.14Å; L210-I256 HydrophobicContact CB-CG2 4.1Å; L210-I256 HydrophobicContact CD1-CG2 4.3Å; L210-I256 WeakPolarHBondContact O-CD1 3.27Å |
| 211 | M | 93.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 172.6 | -61.5 | 175.1 | 72 | 0 | 0 | 111 | K86 W141 P208 V209 Y214 C215 I253 F255 | K86-M211 HydrophobicContact CB-CB 4.13Å; K86-M211 HydrophobicContact CB-CE 3.85Å; K86-M211 HydrophobicContact CB-SD 4.28Å; W141-M211 HydrophobicContact CB-SD 3.79Å; W141-M211 HydrophobicContact CD2-CE 4.5Å; W141-M211 HydrophobicContact CD2-SD 3.87Å; W141-M211 HydrophobicContact CE3-CE 4.32Å; W141-M211 HydrophobicContact CE3-SD 4.12Å; W141-M211 HydrophobicContact CG-SD 3.68Å; P208-M211 WeakPolarHBondContact O-CB 3.35Å; P208-M211 PolarHBondContact O-N 3.48Å; V209-M211 VanDerWaalsContact C-N 3.31Å; V209-M211 PolarHBondContact O-N 3.3Å; M211-Y214 WeakPolarHBondContact O-CB 3.48Å; M211-Y214 PolarHBondContact O-N 3.2Å; M211-C215 PolarHBondContact O-N 2.66Å; M211-C215 VanDerWaalsContact O-N 3.12Å; M211-C215 PolarHBondContact O-SG 3.03Å; M211-C215 VanDerWaalsContact O-SG 3.4Å; M211-I253 HydrophobicContact CG-CG2 3.97Å; M211-F255 HydrophobicContact CE-CZ 4.01Å; M211-F255 HydrophobicContact CG-CE2 4.33Å; M211-F255 HydrophobicContact CG-CZ 4.14Å |
| 212 | S | 93.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.7 | -43.9 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | D114 P208 V209 L210 Y214 C215 L216 | D114-S212 WeakPolarHBondContact CA-OG 3.5Å; D114-S212 WeakPolarHBondContact OD1-CB 3.39Å; D114-S212 PolarHBondContact OD1-OG 3.26Å; P208-S212 PolarHBondContact O-N 2.94Å; V209-S212 WeakPolarHBondContact O-CB 3.17Å; V209-S212 PolarHBondContact O-N 3.11Å; V209-S212 VanDerWaalsContact O-N 3.12Å; L210-S212 VanDerWaalsContact C-N 3.26Å; L210-S212 PolarHBondContact O-N 3.25Å; S212-Y214 PolarHBondContact O-N 3.18Å; S212-C215 PolarHBondContact O-N 2.62Å; S212-L216 VanDerWaalsContact O-CB 3.25Å; S212-L216 WeakPolarHBondContact O-CB 3.38Å; S212-L216 PolarHBondContact O-N 3.31Å |
| 213 | L | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 171.9 | -68.2 | 176.8 | 0 | 0 | 0 | 111.4 | I115 V209 L210 C215 L216 K217 F225 I228 T229 A232 L259 | I115-L213 HydrophobicContact CG2-CD2 3.79Å; I115-L213 HydrophobicContact CG2-CG 4.24Å; V209-L213 PolarHBondContact O-N 3.4Å; L210-L213 HydrophobicContact CD2-CD1 4.13Å; L210-L213 PolarHBondContact O-N 3.25Å; L213-C215 PolarHBondContact O-N 3.37Å; L213-L216 PolarHBondContact O-N 3.12Å; L213-K217 PolarHBondContact O-N 3.2Å; L213-F225 HydrophobicContact CB-CE2 4.32Å; L213-F225 HydrophobicContact CB-CZ 4.29Å; L213-F225 HydrophobicContact CD2-CE2 4.31Å; L213-F225 WeakPolarHBondContact O-CE2 3.48Å; L213-F225 WeakPolarHBondContact O-CZ 3.3Å; L213-I228 HydrophobicContact CD2-CG2 3.97Å; L213-T229 HydrophobicContact CD1-CG2 4.28Å; L213-A232 HydrophobicContact CD1-CB 4.04Å; L213-A232 HydrophobicContact CD2-CB 4.09Å; L213-A232 HydrophobicContact CG-CB 4.38Å; L213-L259 HydrophobicContact CB-CD1 3.76Å |
| 214 | Y | 93 | Very high | 94.3 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 178.5 | -179.7 | -91.3 | 0 | 0 | 0 | 112.3 | L210 M211 S212 F255 I256 N258 L259 G316 F317 H318 | L210-Y214 PolarHBondContact O-N 3.43Å; M211-Y214 WeakPolarHBondContact O-CB 3.48Å; M211-Y214 PolarHBondContact O-N 3.2Å; S212-Y214 PolarHBondContact O-N 3.18Å; Y214-F255 AromaticContact CD1-CD2 3.92Å; Y214-F255 HydrophobicContact CD1-CD2 3.92Å; Y214-F255 HydrophobicContact CD1-CE2 4.05Å; Y214-F255 AromaticContact CD2-CD2 3.93Å; Y214-F255 HydrophobicContact CD2-CD2 3.93Å; Y214-F255 WeakPolarHBondContact CD2-O 3.11Å; Y214-F255 AromaticContact CE1-CD2 3.91Å; Y214-F255 HydrophobicContact CE1-CD2 3.91Å; Y214-F255 HydrophobicContact CE1-CE2 4.35Å; Y214-F255 HydrophobicContact CE2-CB 4.26Å; Y214-F255 AromaticContact CE2-CD2 3.88Å; Y214-F255 HydrophobicContact CE2-CD2 3.88Å; Y214-F255 WeakPolarHBondContact CE2-O 3.21Å; Y214-F255 AromaticContact CG-CD2 3.9Å; Y214-F255 HydrophobicContact CG-CD2 3.9Å; Y214-F255 HydrophobicContact CG-CE2 4.15Å; Y214-F255 AromaticContact CZ-CD2 3.83Å; Y214-I256 HydrophobicContact CD2-CD1 4.21Å; Y214-I256 HydrophobicContact CG-CD1 4.11Å; Y214-N258 HydrophobicContact CD2-CB 4.43Å; Y214-N258 HydrophobicContact CE2-CB 3.91Å; Y214-L259 HydrophobicContact CD2-CG 4.29Å; Y214-G316 WeakPolarHBondContact CE1-O 3.21Å; Y214-F317 WeakPolarHBondContact OH-CD1 3.45Å; Y214-H318 HydrophobicContact CE1-CB 4.19Å; Y214-H318 HydrophobicContact CE2-CB 4.18Å; Y214-H318 WeakPolarHBondContact OH-CA 3.35Å; Y214-H318 WeakPolarHBondContact OH-CB 3.35Å; Y214-H318 PolarHBondContact OH-N 3.38Å; Y214-H318 PolarHBondContact OH-O 3.47Å |
| 215 | C | 89.9 | Confident | 94.3 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 25% | 0.25 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 173.9 | -61.9 | 0 | 0 | 0 | 0 | 112 | M211 S212 L213 K217 H219 | M211-C215 PolarHBondContact O-N 2.66Å; M211-C215 VanDerWaalsContact O-N 3.12Å; M211-C215 PolarHBondContact O-SG 3.03Å; M211-C215 VanDerWaalsContact O-SG 3.4Å; S212-C215 PolarHBondContact O-N 2.62Å; L213-C215 PolarHBondContact O-N 3.37Å; C215-K217 PolarHBondContact O-N 3.31Å; C215-H219 PolarHBondContact O-CD2 3.19Å |
| 216 | L | 91.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.9 | -33.2 | -174.7 | -178.3 | 60.5 | 0 | 0 | 0 | 113 | S212 L213 L218 H219 T220 F225 I228 | S212-L216 VanDerWaalsContact O-CB 3.25Å; S212-L216 WeakPolarHBondContact O-CB 3.38Å; S212-L216 PolarHBondContact O-N 3.31Å; L213-L216 PolarHBondContact O-N 3.12Å; L216-L218 PolarHBondContact O-N 3.17Å; L216-H219 PolarHBondContact O-N 3.17Å; L216-T220 HydrophobicContact CD1-CG2 4.41Å; L216-T220 HydrophobicContact CG-CG2 4.09Å; L216-T220 WeakPolarHBondContact O-CG2 3.35Å; L216-T220 PolarHBondContact O-N 3.05Å; L216-F225 HydrophobicContact CB-CE2 4.34Å; L216-F225 HydrophobicContact CG-CD2 4.35Å; L216-F225 HydrophobicContact CG-CE2 4.49Å; L216-I228 HydrophobicContact CD2-CB 4.39Å; L216-I228 HydrophobicContact CD2-CD1 3.92Å; L216-I228 HydrophobicContact CD2-CG2 3.65Å |
| 217 | K | 92.3 | Very high | 94.5 | Very high | 75 Ų | 75 | 50.3 Ų | 50.3 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -50.7 | -30.8 | 179.8 | -172.9 | 167.2 | 175.8 | 170.4 | 0 | 113 | L213 C215 F225 N258 L259 D262 | L213-K217 PolarHBondContact O-N 3.2Å; C215-K217 PolarHBondContact O-N 3.31Å; K217-F225 HydrophobicContact CB-CD1 4.38Å; K217-F225 HydrophobicContact CB-CD2 4.16Å; K217-F225 HydrophobicContact CB-CE1 3.93Å; K217-F225 HydrophobicContact CB-CE2 3.7Å; K217-F225 HydrophobicContact CB-CG 4.49Å; K217-F225 HydrophobicContact CB-CZ 3.57Å; K217-F225 HydrophobicContact CD-CD1 4.35Å; K217-F225 HydrophobicContact CD-CE1 3.75Å; K217-F225 HydrophobicContact CD-CZ 4.12Å; K217-F225 HydrophobicContact CG-CD1 4.05Å; K217-F225 HydrophobicContact CG-CE1 3.79Å; K217-F225 HydrophobicContact CG-CE2 4.4Å; K217-F225 HydrophobicContact CG-CG 4.46Å; K217-F225 HydrophobicContact CG-CZ 3.99Å; K217-N258 PolarHBondContact NZ-O 3.24Å; K217-N258 VanDerWaalsContact NZ-O 3.1Å; K217-L259 HydrophobicContact CB-CD2 4.3Å; K217-L259 HydrophobicContact CD-CD2 3.43Å; K217-L259 VanDerWaalsContact CD-CD2 3.43Å; K217-L259 HydrophobicContact CG-CD2 4.46Å; K217-D262 WeakPolarHBondContact CE-OD2 3.21Å; K217-D262 IonicContact NZ-OD1 2.74Å; K217-D262 IonicContact NZ-OD2 3.9Å; K217-D262 PolarHBondContact NZ-OD2 3.22Å |
| 218 | L | 84.6 | Confident | 94.5 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -82.6 | -16.4 | -177.8 | -53 | 179.7 | 0 | 0 | 0 | 114.1 | L216 Q312 | L216-L218 PolarHBondContact O-N 3.17Å; L218-Q312 HydrophobicContact CD1-CB 3.93Å; L218-Q312 HydrophobicContact CD1-CG 4.09Å; L218-Q312 VanDerWaalsContact CD1-OE1 3.31Å |
| 219 | H | 88.4 | Confident | 94.7 | Very high | 130 Ų | 130 | 50.2 Ų | 50.2 | 60% | 0.602 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -122.4 | 18.6 | -170.1 | -58 | -56.5 | 0 | 0 | 0 | 111.9 | N117 C215 L216 | N117-H219 PolarHBondContact ND2-O 3.45Å; C215-H219 PolarHBondContact O-CD2 3.19Å; L216-H219 PolarHBondContact O-N 3.17Å |
| 220 | T | 92 | Very high | 94.7 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -145.9 | 151 | 179.9 | -157.2 | 0 | 0 | 0 | 0 | 111 | N117 L216 R224 F225 | N117-T220 VanDerWaalsContact OD1-CB 3.32Å; N117-T220 WeakPolarHBondContact OD1-CB 3.45Å; N117-T220 PolarHBondContact OD1-OG1 3.13Å; L216-T220 HydrophobicContact CD1-CG2 4.41Å; L216-T220 HydrophobicContact CG-CG2 4.09Å; L216-T220 WeakPolarHBondContact O-CG2 3.35Å; L216-T220 PolarHBondContact O-N 3.05Å; T220-R224 WeakPolarHBondContact OG1-CD 3.45Å; T220-F225 HydrophobicContact CG2-CB 3.45Å; T220-F225 VanDerWaalsContact CG2-CB 3.45Å; T220-F225 HydrophobicContact CG2-CD2 3.65Å; T220-F225 HydrophobicContact CG2-CG 3.96Å |
| 221 | T | 95.4 | Very high | 94.8 | Very high | 98 Ų | 98 | 55.2 Ų | 55.2 | 60% | 0.601 | 26% | 0.26 | S | S | * | . | trans | -64.9 | 148.2 | 176.2 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | D223 R224 F225 | T221-D223 VanDerWaalsContact C-N 3.34Å; T221-D223 PolarHBondContact O-N 2.92Å; T221-R224 PolarHBondContact O-N 3.23Å; T221-R224 VanDerWaalsContact O-N 3.14Å; T221-R224 WeakPolarHBondContact OG1-CB 3.45Å; T221-F225 PolarHBondContact O-N 3.26Å | ||
| 222 | T | 95.6 | Very high | 95 | Very high | 86 Ų | 86 | 54.6 Ų | 54.6 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -51.5 | -46.1 | -177.8 | -50.5 | 0 | 0 | 0 | 0 | 113.7 | F225 R226 | T222-F225 WeakPolarHBondContact O-CB 2.85Å; T222-F225 PolarHBondContact O-N 2.77Å; T222-R226 VanDerWaalsContact CG2-CZ 3.43Å; T222-R226 WeakPolarHBondContact O-CG 3.31Å; T222-R226 PolarHBondContact O-N 3.24Å |
| 223 | D | 97.1 | Very high | 95.3 | Very high | 116 Ų | 116 | 54.5 Ų | 54.5 | 62% | 0.62 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.2 | -40.9 | -178.1 | -65.8 | -28 | 0 | 0 | 0 | 112.6 | T221 F225 R226 R227 | T221-D223 VanDerWaalsContact C-N 3.34Å; T221-D223 PolarHBondContact O-N 2.92Å; D223-F225 VanDerWaalsContact C-N 3.35Å; D223-R226 PolarHBondContact O-N 3.14Å; D223-R226 IonicContact OD1-NH1 2.77Å; D223-R226 PolarHBondContact OD1-NH1 3.3Å; D223-R227 PolarHBondContact O-N 3.49Å; D223-R227 VanDerWaalsContact O-N 3.13Å |
| 224 | R | 97.2 | Very high | 95.4 | Very high | 117 Ų | 117 | 54.5 Ų | 54.5 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 172.5 | -168 | 174.9 | -177.1 | 105.4 | -0.4 | 111.2 | N117 T220 T221 R226 R227 I228 | N117-R224 PolarHBondContact O-NH2 2.9Å; N117-R224 PolarHBondContact OD1-NE 3.21Å; T220-R224 WeakPolarHBondContact OG1-CD 3.45Å; T221-R224 PolarHBondContact O-N 3.23Å; T221-R224 VanDerWaalsContact O-N 3.14Å; T221-R224 WeakPolarHBondContact OG1-CB 3.45Å; R224-R226 PolarHBondContact O-N 2.84Å; R224-R227 PolarHBondContact O-N 3.41Å; R224-I228 HydrophobicContact CG-CD1 3.93Å; R224-I228 WeakPolarHBondContact O-CG1 3.4Å; R224-I228 PolarHBondContact O-N 2.81Å |
| 225 | F | 98 | Very high | 95.7 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 176.5 | -170.3 | -118 | 0 | 0 | 0 | 112 | L213 L216 K217 T220 T221 T222 D223 R227 I228 T229 L259 D262 | L213-F225 HydrophobicContact CB-CE2 4.32Å; L213-F225 HydrophobicContact CB-CZ 4.29Å; L213-F225 HydrophobicContact CD2-CE2 4.31Å; L213-F225 WeakPolarHBondContact O-CE2 3.48Å; L213-F225 WeakPolarHBondContact O-CZ 3.3Å; L216-F225 HydrophobicContact CB-CE2 4.34Å; L216-F225 HydrophobicContact CG-CD2 4.35Å; L216-F225 HydrophobicContact CG-CE2 4.49Å; K217-F225 HydrophobicContact CB-CD1 4.38Å; K217-F225 HydrophobicContact CB-CD2 4.16Å; K217-F225 HydrophobicContact CB-CE1 3.93Å; K217-F225 HydrophobicContact CB-CE2 3.7Å; K217-F225 HydrophobicContact CB-CG 4.49Å; K217-F225 HydrophobicContact CB-CZ 3.57Å; K217-F225 HydrophobicContact CD-CD1 4.35Å; K217-F225 HydrophobicContact CD-CE1 3.75Å; K217-F225 HydrophobicContact CD-CZ 4.12Å; K217-F225 HydrophobicContact CG-CD1 4.05Å; K217-F225 HydrophobicContact CG-CE1 3.79Å; K217-F225 HydrophobicContact CG-CE2 4.4Å; K217-F225 HydrophobicContact CG-CG 4.46Å; K217-F225 HydrophobicContact CG-CZ 3.99Å; T220-F225 HydrophobicContact CG2-CB 3.45Å; T220-F225 VanDerWaalsContact CG2-CB 3.45Å; T220-F225 HydrophobicContact CG2-CD2 3.65Å; T220-F225 HydrophobicContact CG2-CG 3.96Å; T221-F225 PolarHBondContact O-N 3.26Å; T222-F225 WeakPolarHBondContact O-CB 2.85Å; T222-F225 PolarHBondContact O-N 2.77Å; D223-F225 VanDerWaalsContact C-N 3.35Å; F225-R227 VanDerWaalsContact C-N 3.35Å; F225-R227 PolarHBondContact O-N 3.18Å; F225-I228 PolarHBondContact O-N 3.15Å; F225-T229 WeakPolarHBondContact CE1-OG1 3.22Å; F225-T229 WeakPolarHBondContact CZ-OG1 3.5Å; F225-T229 VanDerWaalsContact O-CB 3.28Å; F225-T229 WeakPolarHBondContact O-CB 3.34Å; F225-T229 PolarHBondContact O-N 2.87Å; F225-T229 PolarHBondContact O-OG1 3.05Å; F225-L259 HydrophobicContact CE1-CD2 4.24Å; F225-L259 HydrophobicContact CZ-CD2 3.97Å; F225-D262 HydrophobicContact CE1-CB 3.92Å |
| 226 | R | 98.3 | Very high | 96.1 | Very high | 137 Ų | 137 | 53.9 Ų | 53.9 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 178.3 | -73.4 | 170.1 | -179.1 | 149.3 | -5.4 | 111.2 | T222 D223 R224 T229 R230 | T222-R226 VanDerWaalsContact CG2-CZ 3.43Å; T222-R226 WeakPolarHBondContact O-CG 3.31Å; T222-R226 PolarHBondContact O-N 3.24Å; D223-R226 PolarHBondContact O-N 3.14Å; D223-R226 IonicContact OD1-NH1 2.77Å; D223-R226 PolarHBondContact OD1-NH1 3.3Å; R224-R226 PolarHBondContact O-N 2.84Å; R226-T229 PolarHBondContact O-N 3.33Å; R226-R230 WeakPolarHBondContact O-CB 3.19Å; R226-R230 PolarHBondContact O-N 3.5Å |
| 227 | R | 98.3 | Very high | 96.4 | Very high | 135 Ų | 135 | 53.4 Ų | 53.4 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 177.7 | -168.8 | 179 | -179.9 | -172.4 | -2.5 | 111.8 | F160 D223 R224 F225 R230 A231 | F160-R227 HydrophobicContact CD1-CG 4.07Å; F160-R227 HydrophobicContact CE1-CB 4.49Å; F160-R227 HydrophobicContact CE1-CG 3.77Å; F160-R227 HydrophobicContact CE2-CG 4.47Å; F160-R227 HydrophobicContact CZ-CG 3.98Å; D223-R227 PolarHBondContact O-N 3.49Å; D223-R227 VanDerWaalsContact O-N 3.13Å; R224-R227 PolarHBondContact O-N 3.41Å; F225-R227 VanDerWaalsContact C-N 3.35Å; F225-R227 PolarHBondContact O-N 3.18Å; R227-R230 PolarHBondContact O-N 2.94Å; R227-A231 PolarHBondContact O-N 3.12Å |
| 228 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 177.3 | -67.4 | 172 | 0 | 0 | 0 | 111.3 | I115 L156 F160 L213 L216 R224 F225 R230 A231 A232 | I115-I228 HydrophobicContact CD1-CG2 3.57Å; I115-I228 HydrophobicContact CG1-CG2 3.86Å; I115-I228 HydrophobicContact CG2-CG2 4.36Å; L156-I228 HydrophobicContact CD1-CD1 3.79Å; L156-I228 HydrophobicContact CD1-CG1 4.14Å; L156-I228 HydrophobicContact CD2-CG1 4.37Å; F160-I228 HydrophobicContact CE1-CG1 4.05Å; F160-I228 HydrophobicContact CZ-CG1 3.89Å; L213-I228 HydrophobicContact CD2-CG2 3.97Å; L216-I228 HydrophobicContact CD2-CB 4.39Å; L216-I228 HydrophobicContact CD2-CD1 3.92Å; L216-I228 HydrophobicContact CD2-CG2 3.65Å; R224-I228 HydrophobicContact CG-CD1 3.93Å; R224-I228 WeakPolarHBondContact O-CG1 3.4Å; R224-I228 PolarHBondContact O-N 2.81Å; F225-I228 PolarHBondContact O-N 3.15Å; I228-R230 PolarHBondContact O-N 3.25Å; I228-A231 PolarHBondContact O-N 3.21Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.44Å |
| 229 | T | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 111 | L213 F225 R226 A231 A232 L233 D262 A266 | L213-T229 HydrophobicContact CD1-CG2 4.28Å; F225-T229 WeakPolarHBondContact CE1-OG1 3.22Å; F225-T229 WeakPolarHBondContact CZ-OG1 3.5Å; F225-T229 VanDerWaalsContact O-CB 3.28Å; F225-T229 WeakPolarHBondContact O-CB 3.34Å; F225-T229 PolarHBondContact O-N 2.87Å; F225-T229 PolarHBondContact O-OG1 3.05Å; R226-T229 PolarHBondContact O-N 3.33Å; T229-A231 PolarHBondContact O-N 2.76Å; T229-A232 PolarHBondContact O-N 2.99Å; T229-L233 HydrophobicContact CG2-CD1 3.78Å; T229-L233 HydrophobicContact CG2-CG 4.41Å; T229-L233 WeakPolarHBondContact O-CB 3.25Å; T229-L233 WeakPolarHBondContact O-CG 3.06Å; T229-L233 PolarHBondContact O-N 2.89Å; T229-D262 HydrophobicContact CG2-CB 4.34Å; T229-A266 HydrophobicContact CG2-CB 4.15Å |
| 230 | R | 98.7 | Very high | 97.4 | Very high | 103 Ų | 103 | 45.2 Ų | 45.2 | 39% | 0.389 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.5 | -50.7 | 174.9 | 178.4 | -177.5 | 165.4 | 99.9 | -5.6 | 111.7 | R226 R227 I228 A232 L233 F234 A266 | R226-R230 WeakPolarHBondContact O-CB 3.19Å; R226-R230 PolarHBondContact O-N 3.5Å; R227-R230 PolarHBondContact O-N 2.94Å; I228-R230 PolarHBondContact O-N 3.25Å; R230-A232 PolarHBondContact O-N 2.92Å; R230-L233 PolarHBondContact O-N 3.37Å; R230-F234 HydrophobicContact CG-CD1 4.38Å; R230-F234 HydrophobicContact CG-CD2 4.29Å; R230-F234 HydrophobicContact CG-CE1 4.01Å; R230-F234 HydrophobicContact CG-CE2 3.96Å; R230-F234 HydrophobicContact CG-CZ 3.81Å; R230-F234 VanDerWaalsContact CZ-CE2 3.4Å; R230-F234 VanDerWaalsContact CZ-CZ 3.41Å; R230-F234 WeakPolarHBondContact O-CD1 3.46Å; R230-F234 WeakPolarHBondContact O-CG 3.26Å; R230-F234 PolarHBondContact O-N 3.04Å; R230-A266 HydrophobicContact CB-CB 4.11Å |
| 231 | A | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F160 A163 R227 I228 T229 L233 F234 L235 | F160-A231 HydrophobicContact CD1-CB 3.68Å; F160-A231 HydrophobicContact CE1-CB 4.05Å; A163-A231 HydrophobicContact CB-CB 3.71Å; R227-A231 PolarHBondContact O-N 3.12Å; I228-A231 PolarHBondContact O-N 3.21Å; T229-A231 PolarHBondContact O-N 2.76Å; A231-L233 VanDerWaalsContact C-N 3.3Å; A231-L233 PolarHBondContact O-N 3.36Å; A231-F234 PolarHBondContact O-N 3.47Å; A231-L235 WeakPolarHBondContact O-CB 3.41Å; A231-L235 WeakPolarHBondContact O-CD1 3.47Å; A231-L235 WeakPolarHBondContact O-CG 3.27Å; A231-L235 PolarHBondContact O-N 2.8Å |
| 232 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I112 I115 V209 L213 I228 T229 R230 L236 | I112-A232 HydrophobicContact CD1-CB 4.3Å; I115-A232 HydrophobicContact CD1-CB 4.22Å; V209-A232 HydrophobicContact CG2-CB 3.97Å; L213-A232 HydrophobicContact CD1-CB 4.04Å; L213-A232 HydrophobicContact CD2-CB 4.09Å; L213-A232 HydrophobicContact CG-CB 4.38Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.44Å; T229-A232 PolarHBondContact O-N 2.99Å; R230-A232 PolarHBondContact O-N 2.92Å; A232-L236 WeakPolarHBondContact O-CB 3.49Å; A232-L236 PolarHBondContact O-N 2.86Å |
| 233 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.6 | -39.9 | 178.9 | -71.3 | 172.3 | 0 | 0 | 0 | 112.6 | F178 L210 T229 R230 A231 L235 L236 L237 I263 A266 L267 | F178-L233 HydrophobicContact CE1-CD2 4.5Å; F178-L233 HydrophobicContact CZ-CD2 4Å; L210-L233 HydrophobicContact CD2-CD2 3.99Å; T229-L233 HydrophobicContact CG2-CD1 3.78Å; T229-L233 HydrophobicContact CG2-CG 4.41Å; T229-L233 WeakPolarHBondContact O-CB 3.25Å; T229-L233 WeakPolarHBondContact O-CG 3.06Å; T229-L233 PolarHBondContact O-N 2.89Å; R230-L233 PolarHBondContact O-N 3.37Å; A231-L233 VanDerWaalsContact C-N 3.3Å; A231-L233 PolarHBondContact O-N 3.36Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L236 HydrophobicContact CD2-CD2 4.35Å; L233-L236 PolarHBondContact O-N 3.17Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.93Å; L233-I263 HydrophobicContact CD1-CB 4.29Å; L233-I263 HydrophobicContact CD1-CG1 4.16Å; L233-I263 HydrophobicContact CD1-CG2 4.13Å; L233-A266 HydrophobicContact CD1-CB 3.68Å; L233-L267 HydrophobicContact CB-CD1 4.02Å; L233-L267 HydrophobicContact CB-CG 4.36Å; L233-L267 HydrophobicContact CD1-CD1 3.95Å; L233-L267 HydrophobicContact CD1-CG 4.13Å; L233-L267 HydrophobicContact CD2-CD1 4.37Å; L233-L267 HydrophobicContact CG-CD1 4.34Å |
| 234 | F | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 176.7 | -73.2 | 9.7 | 0 | 0 | 0 | 111.2 | A163 I166 D168 R230 A231 L237 K238 L267 | A163-F234 HydrophobicContact CB-CB 4.08Å; A163-F234 HydrophobicContact CB-CD2 4.29Å; A163-F234 WeakPolarHBondContact O-CD2 3.41Å; I166-F234 HydrophobicContact CG2-CB 4.44Å; D168-F234 HydrophobicContact CB-CE1 4.28Å; D168-F234 HydrophobicContact CB-CZ 3.9Å; R230-F234 HydrophobicContact CG-CD1 4.38Å; R230-F234 HydrophobicContact CG-CD2 4.29Å; R230-F234 HydrophobicContact CG-CE1 4.01Å; R230-F234 HydrophobicContact CG-CE2 3.96Å; R230-F234 HydrophobicContact CG-CZ 3.81Å; R230-F234 VanDerWaalsContact CZ-CE2 3.4Å; R230-F234 VanDerWaalsContact CZ-CZ 3.41Å; R230-F234 WeakPolarHBondContact O-CD1 3.46Å; R230-F234 WeakPolarHBondContact O-CG 3.26Å; R230-F234 PolarHBondContact O-N 3.04Å; A231-F234 PolarHBondContact O-N 3.47Å; F234-L237 CarbonylContact O-C 3.55Å; F234-L237 PolarHBondContact O-N 2.9Å; F234-K238 PolarHBondContact O-N 2.97Å; F234-L267 HydrophobicContact CD1-CD2 3.97Å; F234-L267 HydrophobicContact CE1-CD2 3.61Å |
| 235 | L | 98.7 | Very high | 97 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -36.8 | 175 | -71.4 | 161.3 | 0 | 0 | 0 | 112.6 | V105 I112 F122 C159 L162 I166 A231 L233 L237 | V105-L235 HydrophobicContact CG2-CD2 4.37Å; I112-L235 HydrophobicContact CD1-CB 4.49Å; I112-L235 HydrophobicContact CD1-CD1 4.36Å; F122-L235 HydrophobicContact CE1-CD2 4.4Å; F122-L235 HydrophobicContact CZ-CD1 4.01Å; F122-L235 HydrophobicContact CZ-CD2 4.4Å; C159-L235 HydrophobicContact CB-CD1 4.05Å; L162-L235 HydrophobicContact CB-CD2 4.11Å; I166-L235 HydrophobicContact CD1-CD2 3.6Å; I166-L235 HydrophobicContact CD1-CG 4.3Å; A231-L235 WeakPolarHBondContact O-CB 3.41Å; A231-L235 WeakPolarHBondContact O-CD1 3.47Å; A231-L235 WeakPolarHBondContact O-CG 3.27Å; A231-L235 PolarHBondContact O-N 2.8Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L235-L237 VanDerWaalsContact C-N 3.32Å |
| 236 | L | 98.4 | Very high | 96.9 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 173.8 | 175.5 | 65.1 | 0 | 0 | 0 | 111.9 | I112 L204 P207 V209 L210 A232 L233 | I112-L236 HydrophobicContact CG2-CB 4.09Å; L204-L236 HydrophobicContact CD1-CD1 3.95Å; L204-L236 HydrophobicContact CD1-CG 4.16Å; P207-L236 HydrophobicContact CB-CD1 3.79Å; P207-L236 HydrophobicContact CB-CD2 4.19Å; P207-L236 HydrophobicContact CG-CD1 4.19Å; P207-L236 HydrophobicContact CG-CD2 4.2Å; V209-L236 HydrophobicContact CG1-CB 4.47Å; V209-L236 HydrophobicContact CG1-CD1 4.21Å; V209-L236 HydrophobicContact CG1-CD2 4.1Å; L210-L236 HydrophobicContact CD2-CD2 4.32Å; A232-L236 WeakPolarHBondContact O-CB 3.49Å; A232-L236 PolarHBondContact O-N 2.86Å; L233-L236 HydrophobicContact CD2-CD2 4.35Å; L233-L236 PolarHBondContact O-N 3.17Å |
| 237 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 28.7 | -175 | -57 | 173.7 | 0 | 0 | 0 | 112 | P169 R172 V176 L204 L233 F234 L235 Y248 V250 L267 | P169-L237 HydrophobicContact CG-CB 3.79Å; P169-L237 HydrophobicContact CG-CD1 4.04Å; R172-L237 PolarHBondContact NH2-O 3.43Å; V176-L237 HydrophobicContact CG1-CD1 3.78Å; V176-L237 HydrophobicContact CG2-CD1 3.98Å; L204-L237 HydrophobicContact CD1-CD2 4.19Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 WeakPolarHBondContact O-CG 3.32Å; L233-L237 PolarHBondContact O-N 2.93Å; F234-L237 CarbonylContact O-C 3.55Å; F234-L237 PolarHBondContact O-N 2.9Å; L235-L237 VanDerWaalsContact C-N 3.32Å; L237-Y248 HydrophobicContact CD2-CD1 3.69Å; L237-Y248 HydrophobicContact CD2-CD2 4.43Å; L237-Y248 HydrophobicContact CD2-CE1 4.39Å; L237-Y248 HydrophobicContact CD2-CG 3.72Å; L237-V250 HydrophobicContact CD2-CG2 3.9Å; L237-L267 HydrophobicContact CD1-CD1 3.59Å |
| 238 | K | 97.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.078 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -64 | 153.5 | 177.3 | 73 | -172.5 | -164 | -162.1 | 0 | 110.8 | V105 L106 Q107 V110 I166 F234 Y248 | V105-K238 PolarHBondContact O-NZ 3.46Å; L106-K238 HydrophobicContact CD2-CD 4.48Å; L106-K238 VanDerWaalsContact O-CE 3.27Å; L106-K238 WeakPolarHBondContact O-CE 3.31Å; Q107-K238 WeakPolarHBondContact O-CE 3.32Å; Q107-K238 PolarHBondContact O-NZ 2.9Å; V110-K238 PolarHBondContact O-NZ 3.34Å; I166-K238 HydrophobicContact CD1-CB 4.11Å; I166-K238 HydrophobicContact CG2-CB 4.33Å; F234-K238 PolarHBondContact O-N 2.97Å; K238-Y248 PolarHBondContact O-OH 3.45Å |
| 239 | P | 95 | Very high | 96.9 | Very high | 57 Ų | 57 | 38 Ų | 38 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 146.8 | 172.9 | -20.7 | 32.7 | 0 | 0 | 0 | 111.3 | ||
| 240 | T | 94.5 | Very high | 96.8 | Very high | 20 Ų | 20 | 38 Ų | 38 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -103.1 | 164.8 | 167.7 | 68.8 | 0 | 0 | 0 | 0 | 109.6 | D108 E130 M202 N242 | D108-T240 VanDerWaalsContact OD1-CA 3.28Å; D108-T240 WeakPolarHBondContact OD1-CA 3.43Å; E130-T240 WeakPolarHBondContact OE1-CB 3.39Å; E130-T240 PolarHBondContact OE1-OG1 2.7Å; M202-T240 HydrophobicContact CE-CG2 4.09Å; T240-N242 PolarHBondContact O-N 2.78Å; T240-N242 PolarHBondContact OG1-N 3.22Å |
| 241 | S | 94.8 | Very high | 96.8 | Very high | 98 Ų | 98 | 33 Ų | 33 | 69% | 0.685 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -63.2 | -15.5 | 171.7 | 70.9 | 0 | 0 | 0 | 0 | 112.9 | D108 E243 | D108-S241 VanDerWaalsContact CG-N 3.32Å; D108-S241 PolarHBondContact OD1-N 2.74Å; D108-S241 WeakPolarHBondContact OD2-CB 3.23Å; D108-S241 PolarHBondContact OD2-N 3.3Å; D108-S241 PolarHBondContact OD2-OG 3.07Å; S241-E243 PolarHBondContact O-N 2.69Å |
| 242 | N | 93.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | trans | -82.4 | 90.3 | 173.1 | -171.8 | -4.3 | 0 | 0 | 0 | 111.1 | E130 T240 K244 I245 | E130-N242 WeakPolarHBondContact OE1-CB 3Å; E130-N242 WeakPolarHBondContact OE2-CB 3.3Å; E130-N242 PolarHBondContact OE2-ND2 3Å; T240-N242 PolarHBondContact O-N 2.78Å; T240-N242 PolarHBondContact OG1-N 3.22Å; N242-K244 PolarHBondContact O-N 2.9Å; N242-K244 VanDerWaalsContact OD1-CB 3.27Å; N242-K244 WeakPolarHBondContact OD1-CB 3.25Å; N242-K244 PolarHBondContact OD1-N 3.02Å; N242-I245 HydrophobicContact CB-CG1 4.08Å; N242-I245 WeakPolarHBondContact O-CB 3.23Å; N242-I245 PolarHBondContact O-N 2.6Å | ||
| 243 | E | 91.3 | Very high | 96.6 | Very high | 189 Ų | 189 | 33.8 Ų | 33.8 | 88% | 0.883 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -13.8 | 178.5 | -60.6 | -178.9 | 173.8 | 0 | 0 | 114.1 | S241 I245 | S241-E243 PolarHBondContact O-N 2.69Å; E243-I245 VanDerWaalsContact C-N 3.25Å; E243-I245 PolarHBondContact O-N 2.83Å |
| 244 | K | 93.5 | Very high | 96.4 | Very high | 154 Ų | 154 | 34.4 Ų | 34.4 | 67% | 0.67 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.6 | 176.1 | -57.8 | 176.9 | -179.9 | 172.7 | 0 | 112.6 | K200 N242 C246 | K200-K244 WeakPolarHBondContact CB-O 3.46Å; K200-K244 WeakPolarHBondContact CG-O 3.26Å; N242-K244 PolarHBondContact O-N 2.9Å; N242-K244 VanDerWaalsContact OD1-CB 3.27Å; N242-K244 WeakPolarHBondContact OD1-CB 3.25Å; N242-K244 PolarHBondContact OD1-N 3.02Å; K244-C246 PolarHBondContact O-N 3.27Å; K244-C246 VanDerWaalsContact O-N 3.14Å |
| 245 | I | 95.6 | Very high | 96 | Very high | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | trans | -74.2 | 102.9 | 179.3 | -59.8 | -60.2 | 0 | 0 | 0 | 109.7 | Q174 M202 N242 E243 | Q174-I245 PolarHBondContact NE2-O 3.01Å; M202-I245 HydrophobicContact CB-CG2 3.78Å; M202-I245 HydrophobicContact CE-CD1 4.45Å; M202-I245 HydrophobicContact CE-CG1 4.36Å; N242-I245 HydrophobicContact CB-CG1 4.08Å; N242-I245 WeakPolarHBondContact O-CB 3.23Å; N242-I245 PolarHBondContact O-N 2.6Å; E243-I245 VanDerWaalsContact C-N 3.25Å; E243-I245 PolarHBondContact O-N 2.83Å | ||
| 246 | C | 96.4 | Very high | 95.9 | Very high | 50 Ų | 50 | 34.8 Ų | 34.8 | 34% | 0.338 | 18% | 0.184 | S | C | . | . | trans | -108.1 | -1.9 | 177.2 | 67 | 0 | 0 | 0 | 0 | 113.4 | Q174 R175 K200 K244 | Q174-C246 VanDerWaalsContact CA-O 3.31Å; Q174-C246 WeakPolarHBondContact CA-O 3.4Å; R175-C246 PolarHBondContact N-O 2.8Å; R175-C246 VanDerWaalsContact N-O 3.08Å; K200-C246 PolarHBondContact O-N 2.87Å; K244-C246 PolarHBondContact O-N 3.27Å; K244-C246 VanDerWaalsContact O-N 3.14Å | ||
| 247 | R | 97.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 6% | 0.06 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.8 | -177.4 | -91.8 | 166.6 | -59.8 | 96.5 | 17.5 | 113.1 | R175 D198 K200 T201 M202 G383 | R175-R247 HydrophobicContact CB-CG 3.62Å; R175-R247 HydrophobicContact CG-CG 4.07Å; R175-R247 CarbonylContact O-C 3.56Å; R175-R247 VanDerWaalsContact O-CA 3.26Å; R175-R247 WeakPolarHBondContact O-CA 3.49Å; D198-R247 IonicContact OD1-NH2 3.84Å; D198-R247 IonicContact OD2-CZ 3.4Å; D198-R247 IonicContact OD2-NH1 2.84Å; D198-R247 PolarHBondContact OD2-NH1 3.12Å; D198-R247 IonicContact OD2-NH2 3.21Å; D198-R247 PolarHBondContact OD2-NH2 3.26Å; K200-R247 PolarHBondContact O-N 3.08Å; T201-R247 HydrophobicContact CG2-CB 4.18Å; T201-R247 PolarHBondContact OG1-NH1 2.88Å; M202-R247 PolarHBondContact N-O 2.74Å; R247-G383 WeakPolarHBondContact CD-O 3.4Å; R247-G383 PolarHBondContact NE-O 3.08Å |
| 248 | Y | 98.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.5 | 168.7 | -64.1 | -94.6 | 0 | 0 | 0 | 110.3 | Q174 R175 V176 T177 M202 L204 L237 K238 | Q174-Y248 HydrophobicContact CB-CD2 4.43Å; Q174-Y248 HydrophobicContact CB-CE2 4.24Å; Q174-Y248 HydrophobicContact CG-CE2 4.42Å; R175-Y248 PolarHBondContact O-N 3.39Å; V176-Y248 CarbonylContact C-O 3.56Å; V176-Y248 WeakPolarHBondContact CA-O 3.4Å; V176-Y248 HydrophobicContact CG2-CD2 4.46Å; T177-Y248 PolarHBondContact N-O 2.94Å; M202-Y248 HydrophobicContact CB-CD1 3.65Å; M202-Y248 HydrophobicContact CB-CE1 3.84Å; M202-Y248 HydrophobicContact CB-CG 4.39Å; M202-Y248 HydrophobicContact CG-CD1 3.82Å; M202-Y248 HydrophobicContact CG-CE1 3.87Å; M202-Y248 CarbonylContact O-C 3.57Å; M202-Y248 VanDerWaalsContact O-CA 3.32Å; M202-Y248 WeakPolarHBondContact O-CA 3.49Å; L204-Y248 HydrophobicContact CD1-CD1 4.37Å; L237-Y248 HydrophobicContact CD2-CD1 3.69Å; L237-Y248 HydrophobicContact CD2-CD2 4.43Å; L237-Y248 HydrophobicContact CD2-CE1 4.39Å; L237-Y248 HydrophobicContact CD2-CG 3.72Å; K238-Y248 PolarHBondContact O-OH 3.45Å |
| 249 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.1 | 167.5 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | T177 L179 V191 V194 T201 M202 V203 L204 C382 | T177-V249 CarbonylContact O-C 3.47Å; T177-V249 WeakPolarHBondContact O-CA 3.15Å; L179-V249 HydrophobicContact CD1-CG1 3.85Å; L179-V249 HydrophobicContact CG-CG1 4.09Å; V191-V249 HydrophobicContact CG1-CG1 4.37Å; V194-V249 HydrophobicContact CG1-CB 4.46Å; V194-V249 HydrophobicContact CG1-CG2 3.97Å; T201-V249 HydrophobicContact CG2-CB 4.28Å; T201-V249 HydrophobicContact CG2-CG2 3.72Å; M202-V249 PolarHBondContact O-N 2.9Å; V203-V249 CarbonylContact C-O 3.51Å; V203-V249 WeakPolarHBondContact CA-O 3.48Å; V203-V249 HydrophobicContact CG2-CB 4.33Å; L204-V249 PolarHBondContact N-O 3.02Å; V249-C382 HydrophobicContact CG2-CB 3.9Å |
| 250 | V | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127 | -178.1 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | T177 F178 L179 L204 P207 L210 L237 P252 | T177-V250 PolarHBondContact O-N 3.49Å; F178-V250 CarbonylContact C-O 3.56Å; F178-V250 WeakPolarHBondContact CA-O 3.35Å; F178-V250 HydrophobicContact CD1-CB 3.74Å; F178-V250 HydrophobicContact CD1-CG1 3.92Å; F178-V250 HydrophobicContact CE1-CB 3.66Å; F178-V250 HydrophobicContact CE1-CG1 3.62Å; F178-V250 HydrophobicContact CE1-CG2 4.1Å; F178-V250 HydrophobicContact CG-CB 4.34Å; F178-V250 HydrophobicContact CZ-CB 4.19Å; F178-V250 HydrophobicContact CZ-CG1 4.43Å; F178-V250 HydrophobicContact CZ-CG2 4.14Å; L179-V250 PolarHBondContact N-O 3.16Å; L204-V250 HydrophobicContact CB-CG2 4.39Å; L204-V250 HydrophobicContact CD1-CG2 4.42Å; L204-V250 WeakPolarHBondContact O-CA 3.4Å; P207-V250 HydrophobicContact CG-CG1 3.83Å; L210-V250 HydrophobicContact CD1-CG1 4.12Å; L237-V250 HydrophobicContact CD2-CG2 3.9Å; V250-P252 WeakPolarHBondContact O-CD 3.48Å |
| 251 | K | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 95.7 | 173.6 | -177 | -147.9 | 86.9 | 178.4 | 0 | 109.2 | T188 V191 L204 S205 E206 | T188-K251 PolarHBondContact OG1-NZ 3.43Å; T188-K251 VanDerWaalsContact OG1-NZ 3.13Å; V191-K251 HydrophobicContact CG1-CB 3.46Å; V191-K251 VanDerWaalsContact CG1-CB 3.46Å; V191-K251 HydrophobicContact CG1-CD 4.07Å; V191-K251 HydrophobicContact CG1-CG 4.05Å; V191-K251 HydrophobicContact CG2-CD 4.06Å; L204-K251 PolarHBondContact O-N 3.04Å; S205-K251 VanDerWaalsContact OG-CE 3.26Å; S205-K251 WeakPolarHBondContact OG-CE 3.24Å; S205-K251 PolarHBondContact OG-NZ 3.01Å; E206-K251 VanDerWaalsContact CA-O 3.23Å; E206-K251 WeakPolarHBondContact CA-O 3.14Å; E206-K251 WeakPolarHBondContact CG-O 3.24Å; E206-K251 PolarHBondContact N-O 3.31Å; E206-K251 WeakPolarHBondContact OE1-CE 3.3Å; E206-K251 IonicContact OE1-NZ 3.64Å; E206-K251 PolarHBondContact OE1-NZ 2.86Å |
| 252 | P | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -63.9 | 160.4 | 177.2 | -21.1 | 34 | 0 | 0 | 0 | 112.5 | F178 F180 N181 L210 V250 I256 | F178-P252 HydrophobicContact CD1-CG 3.94Å; F180-P252 HydrophobicContact CD1-CG 4.06Å; F180-P252 HydrophobicContact CE1-CG 3.98Å; N181-P252 PolarHBondContact ND2-O 3.14Å; L210-P252 HydrophobicContact CD1-CB 3.89Å; L210-P252 HydrophobicContact CD1-CG 3.86Å; V250-P252 WeakPolarHBondContact O-CD 3.48Å; P252-I256 HydrophobicContact CB-CB 3.52Å; P252-I256 HydrophobicContact CB-CG1 3.99Å; P252-I256 HydrophobicContact CB-CG2 3.6Å; P252-I256 HydrophobicContact CG-CG2 4.19Å | ||
| 253 | I | 94.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 28 Ų | 28 | 10% | 0.097 | 13% | 0.134 | C | C | . | . | trans | -66 | 147.4 | 164.6 | -172.6 | 163.6 | 0 | 0 | 0 | 109 | W141 E206 M211 F255 I256 | W141-I253 HydrophobicContact CZ2-CD1 4.32Å; E206-I253 HydrophobicContact CB-CB 4.39Å; E206-I253 HydrophobicContact CG-CB 4.19Å; M211-I253 HydrophobicContact CG-CG2 3.97Å; I253-F255 VanDerWaalsContact C-N 3.26Å; I253-F255 HydrophobicContact CB-CE1 4.3Å; I253-F255 HydrophobicContact CB-CZ 4.45Å; I253-F255 HydrophobicContact CD1-CD1 4.25Å; I253-F255 HydrophobicContact CD1-CE1 3.46Å; I253-F255 VanDerWaalsContact CD1-CE1 3.46Å; I253-F255 HydrophobicContact CD1-CZ 4.01Å; I253-F255 HydrophobicContact CG1-CD1 4Å; I253-F255 HydrophobicContact CG1-CE1 3.64Å; I253-F255 HydrophobicContact CG1-CZ 4.24Å; I253-F255 HydrophobicContact CG2-CD1 4.17Å; I253-F255 HydrophobicContact CG2-CD2 4.21Å; I253-F255 HydrophobicContact CG2-CE1 3.67Å; I253-F255 HydrophobicContact CG2-CE2 3.68Å; I253-F255 HydrophobicContact CG2-CG 4.43Å; I253-F255 HydrophobicContact CG2-CZ 3.39Å; I253-F255 PolarHBondContact O-N 3.32Å; I253-I256 HydrophobicContact CG2-CD1 4.12Å; I253-I256 HydrophobicContact CG2-CG1 3.5Å; I253-I256 VanDerWaalsContact O-CB 3.26Å; I253-I256 WeakPolarHBondContact O-CB 3.16Å; I253-I256 VanDerWaalsContact O-CG1 3.32Å; I253-I256 WeakPolarHBondContact O-CG1 3.37Å; I253-I256 PolarHBondContact O-N 3.41Å | ||
| 254 | F | 94.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 21.2 Ų | 21.2 | 6% | 0.057 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -53.9 | -34.7 | -163.3 | 63.5 | -88.3 | 0 | 0 | 0 | 115.5 | N181 G183 I256 L257 F296 F317 I342 | N181-F254 VanDerWaalsContact O-CA 3.27Å; N181-F254 WeakPolarHBondContact O-CA 3.14Å; N181-F254 WeakPolarHBondContact O-CB 3.31Å; N181-F254 WeakPolarHBondContact OD1-CB 3.41Å; G183-F254 VanDerWaalsContact N-CB 3.33Å; F254-I256 VanDerWaalsContact C-N 3.27Å; F254-I256 PolarHBondContact O-N 2.79Å; F254-L257 VanDerWaalsContact O-CB 3.25Å; F254-L257 WeakPolarHBondContact O-CB 3.26Å; F254-L257 PolarHBondContact O-N 2.91Å; F254-F296 HydrophobicContact CE1-CZ 4.22Å; F254-F296 HydrophobicContact CZ-CE1 4.35Å; F254-F296 AromaticContact CZ-CZ 3.81Å; F254-F296 HydrophobicContact CZ-CZ 3.81Å; F254-F317 HydrophobicContact CD2-CZ 4.29Å; F254-F317 AromaticContact CE2-CE2 3.59Å; F254-F317 HydrophobicContact CE2-CE2 3.59Å; F254-F317 AromaticContact CE2-CZ 3.54Å; F254-F317 HydrophobicContact CE2-CZ 3.54Å; F254-F317 AromaticContact CZ-CE2 3.82Å; F254-F317 HydrophobicContact CZ-CE2 3.82Å; F254-F317 HydrophobicContact CZ-CZ 4.25Å; F254-I342 HydrophobicContact CD2-CG2 4.42Å; F254-I342 HydrophobicContact CE2-CG2 3.76Å |
| 255 | F | 91.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -75.4 | -13.6 | -179.5 | 57.9 | -104.5 | 0 | 0 | 0 | 114.1 | M211 Y214 I253 L257 N258 F317 | M211-F255 HydrophobicContact CE-CZ 4.01Å; M211-F255 HydrophobicContact CG-CE2 4.33Å; M211-F255 HydrophobicContact CG-CZ 4.14Å; Y214-F255 AromaticContact CD1-CD2 3.92Å; Y214-F255 HydrophobicContact CD1-CD2 3.92Å; Y214-F255 HydrophobicContact CD1-CE2 4.05Å; Y214-F255 AromaticContact CD2-CD2 3.93Å; Y214-F255 HydrophobicContact CD2-CD2 3.93Å; Y214-F255 WeakPolarHBondContact CD2-O 3.11Å; Y214-F255 AromaticContact CE1-CD2 3.91Å; Y214-F255 HydrophobicContact CE1-CD2 3.91Å; Y214-F255 HydrophobicContact CE1-CE2 4.35Å; Y214-F255 HydrophobicContact CE2-CB 4.26Å; Y214-F255 AromaticContact CE2-CD2 3.88Å; Y214-F255 HydrophobicContact CE2-CD2 3.88Å; Y214-F255 WeakPolarHBondContact CE2-O 3.21Å; Y214-F255 AromaticContact CG-CD2 3.9Å; Y214-F255 HydrophobicContact CG-CD2 3.9Å; Y214-F255 HydrophobicContact CG-CE2 4.15Å; Y214-F255 AromaticContact CZ-CD2 3.83Å; I253-F255 VanDerWaalsContact C-N 3.26Å; I253-F255 HydrophobicContact CB-CE1 4.3Å; I253-F255 HydrophobicContact CB-CZ 4.45Å; I253-F255 HydrophobicContact CD1-CD1 4.25Å; I253-F255 HydrophobicContact CD1-CE1 3.46Å; I253-F255 VanDerWaalsContact CD1-CE1 3.46Å; I253-F255 HydrophobicContact CD1-CZ 4.01Å; I253-F255 HydrophobicContact CG1-CD1 4Å; I253-F255 HydrophobicContact CG1-CE1 3.64Å; I253-F255 HydrophobicContact CG1-CZ 4.24Å; I253-F255 HydrophobicContact CG2-CD1 4.17Å; I253-F255 HydrophobicContact CG2-CD2 4.21Å; I253-F255 HydrophobicContact CG2-CE1 3.67Å; I253-F255 HydrophobicContact CG2-CE2 3.68Å; I253-F255 HydrophobicContact CG2-CG 4.43Å; I253-F255 HydrophobicContact CG2-CZ 3.39Å; I253-F255 PolarHBondContact O-N 3.32Å; F255-L257 PolarHBondContact O-N 2.94Å; F255-L257 VanDerWaalsContact O-N 3.14Å; F255-N258 PolarHBondContact O-N 2.97Å; F255-F317 HydrophobicContact CB-CD2 4.29Å; F255-F317 HydrophobicContact CB-CE1 3.89Å; F255-F317 HydrophobicContact CB-CE2 3.55Å; F255-F317 HydrophobicContact CB-CZ 3.35Å; F255-F317 HydrophobicContact CD1-CD2 4.08Å; F255-F317 AromaticContact CD1-CE2 3.57Å; F255-F317 HydrophobicContact CD1-CE2 3.57Å; F255-F317 HydrophobicContact CD1-CZ 4.26Å; F255-F317 HydrophobicContact CG-CD2 4.3Å; F255-F317 AromaticContact CG-CE2 3.84Å; F255-F317 HydrophobicContact CG-CE2 3.84Å; F255-F317 HydrophobicContact CG-CZ 4.16Å |
| 256 | I | 95.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -66.5 | -10.1 | 171 | -55.2 | -55.9 | 0 | 0 | 0 | 111.7 | F180 L210 Y214 P252 I253 F254 N258 L259 I263 | F180-I256 HydrophobicContact CE1-CG2 4.28Å; L210-I256 HydrophobicContact CB-CD1 4.15Å; L210-I256 HydrophobicContact CB-CG1 4.14Å; L210-I256 HydrophobicContact CB-CG2 4.1Å; L210-I256 HydrophobicContact CD1-CG2 4.3Å; L210-I256 WeakPolarHBondContact O-CD1 3.27Å; Y214-I256 HydrophobicContact CD2-CD1 4.21Å; Y214-I256 HydrophobicContact CG-CD1 4.11Å; P252-I256 HydrophobicContact CB-CB 3.52Å; P252-I256 HydrophobicContact CB-CG1 3.99Å; P252-I256 HydrophobicContact CB-CG2 3.6Å; P252-I256 HydrophobicContact CG-CG2 4.19Å; I253-I256 HydrophobicContact CG2-CD1 4.12Å; I253-I256 HydrophobicContact CG2-CG1 3.5Å; I253-I256 VanDerWaalsContact O-CB 3.26Å; I253-I256 WeakPolarHBondContact O-CB 3.16Å; I253-I256 VanDerWaalsContact O-CG1 3.32Å; I253-I256 WeakPolarHBondContact O-CG1 3.37Å; I253-I256 PolarHBondContact O-N 3.41Å; F254-I256 VanDerWaalsContact C-N 3.27Å; F254-I256 PolarHBondContact O-N 2.79Å; I256-N258 PolarHBondContact O-N 2.88Å; I256-L259 HydrophobicContact CD1-CD1 4.46Å; I256-L259 HydrophobicContact CG2-CB 4.26Å; I256-L259 HydrophobicContact CG2-CD1 4.18Å; I256-L259 HydrophobicContact CG2-CG 4.42Å; I256-L259 WeakPolarHBondContact O-CB 3.43Å; I256-L259 PolarHBondContact O-N 3.5Å; I256-I263 HydrophobicContact CG2-CD1 4.01Å |
| 257 | L | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -48 | -31.5 | 166.9 | 179 | 62.7 | 0 | 0 | 0 | 112.5 | F180 F254 F255 L259 A260 F274 N346 Q353 F359 | F180-L257 HydrophobicContact CB-CD1 3.95Å; F180-L257 HydrophobicContact CD1-CD1 4.46Å; F180-L257 HydrophobicContact CG-CD1 4.34Å; F254-L257 VanDerWaalsContact O-CB 3.25Å; F254-L257 WeakPolarHBondContact O-CB 3.26Å; F254-L257 PolarHBondContact O-N 2.91Å; F255-L257 PolarHBondContact O-N 2.94Å; F255-L257 VanDerWaalsContact O-N 3.14Å; L257-L259 PolarHBondContact O-N 3.38Å; L257-L259 VanDerWaalsContact O-N 3.15Å; L257-A260 HydrophobicContact CD1-CB 4.49Å; L257-A260 WeakPolarHBondContact O-CB 3.26Å; L257-A260 PolarHBondContact O-N 3.49Å; L257-A260 VanDerWaalsContact O-N 3.13Å; L257-F274 HydrophobicContact CD1-CD2 3.99Å; L257-F274 HydrophobicContact CD1-CE2 4.38Å; L257-F274 HydrophobicContact CD2-CD2 4.14Å; L257-F274 HydrophobicContact CD2-CE2 3.67Å; L257-F274 HydrophobicContact CD2-CZ 4.35Å; L257-N346 HydrophobicContact CD2-CB 3.97Å; L257-N346 WeakPolarHBondContact CD2-O 3.49Å; L257-Q353 PolarHBondContact O-NE2 3.23Å; L257-Q353 PolarHBondContact O-OE1 3.03Å; L257-F359 HydrophobicContact CD1-CE1 3.62Å; L257-F359 HydrophobicContact CD1-CZ 3.55Å |
| 258 | N | 93.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 22.7 Ų | 22.7 | 6% | 0.064 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -70.6 | -5.2 | 178 | -61.4 | -5.9 | 0 | 0 | 0 | 114.5 | Y214 K217 F255 I256 N349 | Y214-N258 HydrophobicContact CD2-CB 4.43Å; Y214-N258 HydrophobicContact CE2-CB 3.91Å; K217-N258 PolarHBondContact NZ-O 3.24Å; K217-N258 VanDerWaalsContact NZ-O 3.1Å; F255-N258 PolarHBondContact O-N 2.97Å; I256-N258 PolarHBondContact O-N 2.88Å; N258-N349 VanDerWaalsContact OD1-CB 3.27Å; N258-N349 WeakPolarHBondContact OD1-CB 3.48Å; N258-N349 PolarHBondContact OD1-ND2 3.46Å |
| 259 | L | 95.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -110.5 | 7.1 | 175.1 | -53.2 | -173.6 | 0 | 0 | 0 | 112.2 | L213 Y214 K217 F225 I256 L257 E261 D262 I263 | L213-L259 HydrophobicContact CB-CD1 3.76Å; Y214-L259 HydrophobicContact CD2-CG 4.29Å; K217-L259 HydrophobicContact CB-CD2 4.3Å; K217-L259 HydrophobicContact CD-CD2 3.43Å; K217-L259 VanDerWaalsContact CD-CD2 3.43Å; K217-L259 HydrophobicContact CG-CD2 4.46Å; F225-L259 HydrophobicContact CE1-CD2 4.24Å; F225-L259 HydrophobicContact CZ-CD2 3.97Å; I256-L259 HydrophobicContact CD1-CD1 4.46Å; I256-L259 HydrophobicContact CG2-CB 4.26Å; I256-L259 HydrophobicContact CG2-CD1 4.18Å; I256-L259 HydrophobicContact CG2-CG 4.42Å; I256-L259 WeakPolarHBondContact O-CB 3.43Å; I256-L259 PolarHBondContact O-N 3.5Å; L257-L259 PolarHBondContact O-N 3.38Å; L257-L259 VanDerWaalsContact O-N 3.15Å; L259-E261 VanDerWaalsContact C-N 3.31Å; L259-E261 PolarHBondContact O-N 3.42Å; L259-D262 PolarHBondContact O-N 2.94Å; L259-I263 HydrophobicContact CB-CD1 4.01Å; L259-I263 HydrophobicContact CB-CG1 4.32Å; L259-I263 WeakPolarHBondContact O-CB 3.15Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.39Å; L259-I263 PolarHBondContact O-N 3.44Å |
| 260 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F180 L257 I263 H264 Q353 F357 F359 | F180-A260 HydrophobicContact CD1-CB 4.03Å; F180-A260 HydrophobicContact CD2-CB 4.05Å; F180-A260 HydrophobicContact CE1-CB 3.65Å; F180-A260 HydrophobicContact CE2-CB 3.69Å; F180-A260 HydrophobicContact CG-CB 4.21Å; F180-A260 VanDerWaalsContact CZ-CA 3.48Å; F180-A260 HydrophobicContact CZ-CB 3.49Å; F180-A260 VanDerWaalsContact CZ-CB 3.49Å; L257-A260 HydrophobicContact CD1-CB 4.49Å; L257-A260 WeakPolarHBondContact O-CB 3.26Å; L257-A260 PolarHBondContact O-N 3.49Å; L257-A260 VanDerWaalsContact O-N 3.13Å; A260-I263 PolarHBondContact O-N 2.96Å; A260-H264 VanDerWaalsContact O-CB 3.31Å; A260-H264 WeakPolarHBondContact O-CB 3.45Å; A260-H264 PolarHBondContact O-N 2.9Å; A260-Q353 VanDerWaalsContact CB-OE1 3.28Å; A260-Q353 VanDerWaalsContact N-OE1 3.08Å; A260-F357 HydrophobicContact CB-CZ 4.04Å; A260-F359 HydrophobicContact CB-CE1 3.68Å; A260-F359 HydrophobicContact CB-CZ 3.8Å |
| 261 | E | 97.1 | Very high | 96.7 | Very high | 85 Ų | 85 | 28.5 Ų | 28.5 | 40% | 0.397 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63 | -44.8 | 173.1 | -171.4 | -166.2 | 159.9 | 0 | 0 | 112.2 | L259 I263 H264 G265 Q353 E356 F357 | L259-E261 VanDerWaalsContact C-N 3.31Å; L259-E261 PolarHBondContact O-N 3.42Å; E261-I263 VanDerWaalsContact C-N 3.34Å; E261-I263 PolarHBondContact O-N 2.98Å; E261-H264 PolarHBondContact O-N 3.3Å; E261-G265 PolarHBondContact O-N 3.22Å; E261-Q353 HydrophobicContact CB-CG 4.2Å; E261-E356 HydrophobicContact CG-CB 4.46Å; E261-F357 HydrophobicContact CB-CE1 4.12Å |
| 262 | D | 98 | Very high | 96.7 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 12% | 0.123 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 178.4 | -55.6 | -78.9 | 0 | 0 | 0 | 111.5 | K217 F225 T229 L259 G265 A266 | K217-D262 WeakPolarHBondContact CE-OD2 3.21Å; K217-D262 IonicContact NZ-OD1 2.74Å; K217-D262 IonicContact NZ-OD2 3.9Å; K217-D262 PolarHBondContact NZ-OD2 3.22Å; F225-D262 HydrophobicContact CE1-CB 3.92Å; T229-D262 HydrophobicContact CG2-CB 4.34Å; L259-D262 PolarHBondContact O-N 2.94Å; D262-G265 PolarHBondContact O-N 2.84Å; D262-A266 WeakPolarHBondContact O-CB 2.97Å; D262-A266 PolarHBondContact O-N 3.26Å |
| 263 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 175.7 | -70.5 | 166.1 | 0 | 0 | 0 | 109.9 | F178 F180 L233 I256 L259 A260 E261 A266 L267 | F178-I263 HydrophobicContact CD1-CG2 4.15Å; F178-I263 HydrophobicContact CD2-CG2 3.99Å; F178-I263 HydrophobicContact CE1-CD1 4.43Å; F178-I263 HydrophobicContact CE1-CG2 3.87Å; F178-I263 HydrophobicContact CE2-CG2 3.7Å; F178-I263 HydrophobicContact CG-CG2 4.22Å; F178-I263 HydrophobicContact CZ-CG2 3.65Å; F180-I263 HydrophobicContact CE1-CD1 3.89Å; F180-I263 HydrophobicContact CZ-CB 4.34Å; F180-I263 HydrophobicContact CZ-CD1 3.74Å; F180-I263 HydrophobicContact CZ-CG2 4.34Å; L233-I263 HydrophobicContact CD1-CB 4.29Å; L233-I263 HydrophobicContact CD1-CG1 4.16Å; L233-I263 HydrophobicContact CD1-CG2 4.13Å; I256-I263 HydrophobicContact CG2-CD1 4.01Å; L259-I263 HydrophobicContact CB-CD1 4.01Å; L259-I263 HydrophobicContact CB-CG1 4.32Å; L259-I263 WeakPolarHBondContact O-CB 3.15Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.39Å; L259-I263 PolarHBondContact O-N 3.44Å; A260-I263 PolarHBondContact O-N 2.96Å; E261-I263 VanDerWaalsContact C-N 3.34Å; E261-I263 PolarHBondContact O-N 2.98Å; I263-A266 PolarHBondContact O-N 3.3Å; I263-L267 PolarHBondContact O-N 3.18Å |
| 264 | H | 98 | Very high | 96.9 | Very high | 46 Ų | 46 | 29.6 Ų | 29.6 | 21% | 0.213 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 176.4 | -178.2 | 66.2 | 0 | 0 | 0 | 111.9 | A260 E261 A266 L267 R268 F357 | A260-H264 VanDerWaalsContact O-CB 3.31Å; A260-H264 WeakPolarHBondContact O-CB 3.45Å; A260-H264 PolarHBondContact O-N 2.9Å; E261-H264 PolarHBondContact O-N 3.3Å; H264-A266 VanDerWaalsContact C-N 3.28Å; H264-A266 PolarHBondContact O-N 3.4Å; H264-L267 CarbonylContact O-C 3.47Å; H264-L267 PolarHBondContact O-N 3.33Å; H264-R268 PolarHBondContact CE1-O 3.09Å; H264-R268 VanDerWaalsContact O-CA 3.23Å; H264-R268 WeakPolarHBondContact O-CA 3.43Å; H264-R268 PolarHBondContact O-N 2.57Å; H264-F357 HydrophobicContact CB-CD1 4.39Å; H264-F357 HydrophobicContact CB-CD2 4Å; H264-F357 HydrophobicContact CB-CE1 4.32Å; H264-F357 HydrophobicContact CB-CE2 3.91Å; H264-F357 HydrophobicContact CB-CG 4.25Å; H264-F357 HydrophobicContact CB-CZ 4.09Å; H264-F357 VanDerWaalsContact CD2-CB 3.42Å; H264-F357 WeakPolarHBondContact CD2-CB 2.96Å; H264-F357 AromaticContact CD2-CD2 3.65Å; H264-F357 AromaticContact CD2-CG 3.47Å; H264-F357 VanDerWaalsContact CD2-CG 3.47Å; H264-F357 WeakPolarHBondContact CD2-CG 3.47Å; H264-F357 AromaticContact CG-CD2 3.53Å; H264-F357 AromaticContact CG-CE2 3.93Å; H264-F357 AromaticContact CG-CG 3.79Å; H264-F357 AromaticContact ND1-CD2 3.85Å |
| 265 | G | 97.7 | Very high | 97.1 | Very high | 46 Ų | 46 | 29 Ų | 29 | 47% | 0.474 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.7 | -36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E261 D262 | E261-G265 PolarHBondContact O-N 3.22Å; D262-G265 PolarHBondContact O-N 2.84Å |
| 266 | A | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 11% | 0.107 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -77.9 | -32 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T229 R230 L233 D262 I263 H264 | T229-A266 HydrophobicContact CG2-CB 4.15Å; R230-A266 HydrophobicContact CB-CB 4.11Å; L233-A266 HydrophobicContact CD1-CB 3.68Å; D262-A266 WeakPolarHBondContact O-CB 2.97Å; D262-A266 PolarHBondContact O-N 3.26Å; I263-A266 PolarHBondContact O-N 3.3Å; H264-A266 VanDerWaalsContact C-N 3.28Å; H264-A266 PolarHBondContact O-N 3.4Å |
| 267 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -129.9 | 72.8 | -178.7 | -65.4 | 173 | 0 | 0 | 0 | 110.3 | P169 F178 L233 F234 L237 I263 H264 S269 A270 | P169-L267 HydrophobicContact CG-CD2 4.35Å; F178-L267 HydrophobicContact CE2-CD1 3.79Å; F178-L267 HydrophobicContact CZ-CD1 4.12Å; L233-L267 HydrophobicContact CB-CD1 4.02Å; L233-L267 HydrophobicContact CB-CG 4.36Å; L233-L267 HydrophobicContact CD1-CD1 3.95Å; L233-L267 HydrophobicContact CD1-CG 4.13Å; L233-L267 HydrophobicContact CD2-CD1 4.37Å; L233-L267 HydrophobicContact CG-CD1 4.34Å; F234-L267 HydrophobicContact CD1-CD2 3.97Å; F234-L267 HydrophobicContact CE1-CD2 3.61Å; L237-L267 HydrophobicContact CD1-CD1 3.59Å; I263-L267 PolarHBondContact O-N 3.18Å; H264-L267 CarbonylContact O-C 3.47Å; H264-L267 PolarHBondContact O-N 3.33Å; L267-S269 PolarHBondContact O-N 2.94Å; L267-S269 VanDerWaalsContact O-N 3.11Å; L267-A270 HydrophobicContact CB-CB 3.84Å; L267-A270 VanDerWaalsContact O-CB 3.29Å; L267-A270 WeakPolarHBondContact O-CB 3.28Å; L267-A270 PolarHBondContact O-N 2.8Å | ||
| 268 | R | 97 | Very high | 97.1 | Very high | 203 Ų | 203 | 33.9 Ų | 33.9 | 77% | 0.766 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.4 | -174.5 | -68.2 | -175.3 | 178.4 | -176.8 | -2.8 | 113.9 | H264 A270 | H264-R268 PolarHBondContact CE1-O 3.09Å; H264-R268 VanDerWaalsContact O-CA 3.23Å; H264-R268 WeakPolarHBondContact O-CA 3.43Å; H264-R268 PolarHBondContact O-N 2.57Å; R268-A270 VanDerWaalsContact C-N 3.34Å |
| 269 | S | 96.7 | Very high | 97 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 35% | 0.35 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -13 | 176.9 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | A170 L267 | A170-S269 WeakPolarHBondContact CB-OG 3.47Å; L267-S269 PolarHBondContact O-N 2.94Å; L267-S269 VanDerWaalsContact O-N 3.11Å |
| 270 | A | 98.2 | Very high | 97 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | trans | -73.7 | 138.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V176 F178 L267 R268 | V176-A270 HydrophobicContact CB-CB 4.06Å; V176-A270 HydrophobicContact CG1-CB 4.1Å; V176-A270 WeakPolarHBondContact O-CA 3.46Å; F178-A270 HydrophobicContact CD2-CB 4.08Å; F178-A270 HydrophobicContact CE2-CB 4.22Å; L267-A270 HydrophobicContact CB-CB 3.84Å; L267-A270 VanDerWaalsContact O-CB 3.29Å; L267-A270 WeakPolarHBondContact O-CB 3.28Å; L267-A270 PolarHBondContact O-N 2.8Å; R268-A270 VanDerWaalsContact C-N 3.34Å | ||
| 271 | H | 98.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 32% | 0.315 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.6 | 173.2 | -65.9 | -89.4 | 0 | 0 | 0 | 109.9 | R175 V176 T177 F178 Y273 | R175-H271 VanDerWaalsContact CZ-NE2 3.33Å; R175-H271 PolarHBondContact NH1-CD2 2.98Å; R175-H271 PolarHBondContact NH1-NE2 3.42Å; R175-H271 PolarHBondContact NH2-CD2 2.87Å; R175-H271 PolarHBondContact NH2-NE2 3.01Å; V176-H271 PolarHBondContact O-N 3.4Å; T177-H271 CarbonylContact C-O 3.38Å; T177-H271 VanDerWaalsContact CA-O 3.27Å; T177-H271 WeakPolarHBondContact CA-O 3.27Å; T177-H271 HydrophobicContact CG2-CB 4.27Å; F178-H271 PolarHBondContact N-O 3.25Å; H271-Y273 HydrophobicContact CB-CE2 3.96Å |
| 272 | C | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.1 | -179.6 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | F180 F357 F359 P360 | F180-C272 HydrophobicContact CD2-CB 4.29Å; F180-C272 HydrophobicContact CE2-CB 4.07Å; C272-F357 HydrophobicContact CB-CE2 3.8Å; C272-F359 HydrophobicContact CB-CD2 3.86Å; C272-F359 HydrophobicContact CB-CE2 3.99Å; C272-P360 VanDerWaalsContact O-CD 3.32Å; C272-P360 WeakPolarHBondContact O-CD 3.43Å |
| 273 | Y | 98.5 | Very high | 96.5 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 13% | 0.125 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.7 | 176 | -66.5 | -89.9 | 0 | 0 | 0 | 110.5 | T177 F178 L179 F180 H271 F359 P360 M381 | T177-Y273 HydrophobicContact CG2-CD2 3.89Å; T177-Y273 HydrophobicContact CG2-CE2 4.04Å; F178-Y273 PolarHBondContact O-N 2.9Å; L179-Y273 HydrophobicContact CD2-CD2 4.28Å; F180-Y273 WeakPolarHBondContact CB-O 3.42Å; F180-Y273 PolarHBondContact N-O 3.09Å; H271-Y273 HydrophobicContact CB-CE2 3.96Å; Y273-F359 VanDerWaalsContact C-CE2 3.46Å; Y273-P360 WeakPolarHBondContact CA-O 3.43Å; Y273-P360 HydrophobicContact CD1-CB 4.19Å; Y273-P360 HydrophobicContact CD1-CG 3.51Å; Y273-P360 HydrophobicContact CE1-CB 4.31Å; Y273-P360 HydrophobicContact CE1-CG 3.53Å; Y273-P360 HydrophobicContact CG-CG 4.35Å; Y273-M381 HydrophobicContact CD1-CG 3.94Å; Y273-M381 HydrophobicContact CD1-SD 3.53Å; Y273-M381 VanDerWaalsContact CD1-SD 3.53Å; Y273-M381 HydrophobicContact CD2-CB 4.25Å; Y273-M381 HydrophobicContact CD2-CG 4.49Å; Y273-M381 HydrophobicContact CD2-SD 4.47Å; Y273-M381 HydrophobicContact CE1-CB 4.18Å; Y273-M381 HydrophobicContact CE1-CG 3.54Å; Y273-M381 HydrophobicContact CE1-SD 3.78Å; Y273-M381 HydrophobicContact CE2-CB 3.81Å; Y273-M381 HydrophobicContact CE2-CG 4.13Å; Y273-M381 HydrophobicContact CG-CG 4.41Å; Y273-M381 HydrophobicContact CG-SD 3.92Å |
| 274 | F | 98.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 106.1 | 172.2 | 176.4 | -122.2 | 0 | 0 | 0 | 110.7 | L257 Y276 Y350 F359 P360 A361 Y362 | L257-F274 HydrophobicContact CD1-CD2 3.99Å; L257-F274 HydrophobicContact CD1-CE2 4.38Å; L257-F274 HydrophobicContact CD2-CD2 4.14Å; L257-F274 HydrophobicContact CD2-CE2 3.67Å; L257-F274 HydrophobicContact CD2-CZ 4.35Å; F274-Y276 HydrophobicContact CD1-CD1 4.47Å; F274-Y276 HydrophobicContact CE1-CG 4.3Å; F274-Y350 HydrophobicContact CB-CD2 3.46Å; F274-Y350 VanDerWaalsContact CB-CD2 3.46Å; F274-Y350 HydrophobicContact CB-CE2 3.44Å; F274-Y350 VanDerWaalsContact CB-CE2 3.44Å; F274-Y350 HydrophobicContact CB-CG 4.33Å; F274-Y350 AromaticContact CD1-CD1 3.64Å; F274-Y350 HydrophobicContact CD1-CD1 3.64Å; F274-Y350 AromaticContact CD1-CD2 3.41Å; F274-Y350 HydrophobicContact CD1-CD2 3.41Å; F274-Y350 VanDerWaalsContact CD1-CD2 3.41Å; F274-Y350 AromaticContact CD1-CE1 3.91Å; F274-Y350 HydrophobicContact CD1-CE1 3.91Å; F274-Y350 AromaticContact CD1-CE2 3.72Å; F274-Y350 HydrophobicContact CD1-CE2 3.72Å; F274-Y350 AromaticContact CD1-CG 3.38Å; F274-Y350 HydrophobicContact CD1-CG 3.38Å; F274-Y350 AromaticContact CD1-CZ 3.98Å; F274-Y350 HydrophobicContact CD2-CD2 4.25Å; F274-Y350 HydrophobicContact CD2-CG 4.49Å; F274-Y350 AromaticContact CE1-CD1 3.81Å; F274-Y350 HydrophobicContact CE1-CD1 3.81Å; F274-Y350 HydrophobicContact CE1-CD2 4.18Å; F274-Y350 HydrophobicContact CE1-CE1 4.41Å; F274-Y350 AromaticContact CE1-CG 3.69Å; F274-Y350 HydrophobicContact CE1-CG 3.69Å; F274-Y350 HydrophobicContact CG-CD1 4.49Å; F274-Y350 AromaticContact CG-CD2 3.44Å; F274-Y350 HydrophobicContact CG-CD2 3.44Å; F274-Y350 VanDerWaalsContact CG-CD2 3.44Å; F274-Y350 AromaticContact CG-CE2 3.84Å; F274-Y350 HydrophobicContact CG-CE2 3.84Å; F274-Y350 AromaticContact CG-CG 3.83Å; F274-Y350 HydrophobicContact CG-CG 3.83Å; F274-Y350 HydrophobicContact CZ-CG 4.37Å; F274-F359 HydrophobicContact CB-CD2 4.36Å; F274-F359 HydrophobicContact CB-CE2 3.85Å; F274-F359 HydrophobicContact CB-CZ 4Å; F274-P360 PolarHBondContact N-O 2.92Å; F274-A361 HydrophobicContact CD1-CB 4.14Å; F274-A361 CarbonylContact O-C 3.51Å; F274-A361 VanDerWaalsContact O-CA 3.27Å; F274-A361 WeakPolarHBondContact O-CA 3.45Å; F274-Y362 PolarHBondContact O-N 3.29Å |
| 275 | I | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.9 | 179.9 | -47 | -49.4 | 0 | 0 | 0 | 109.4 | L179 F180 N181 S182 C185 M190 Y362 | L179-I275 HydrophobicContact CB-CG1 4.3Å; L179-I275 HydrophobicContact CD2-CD1 4.43Å; F180-I275 PolarHBondContact O-N 3.01Å; N181-I275 VanDerWaalsContact CA-O 3.27Å; N181-I275 WeakPolarHBondContact CA-O 3.11Å; N181-I275 HydrophobicContact CB-CB 4.27Å; S182-I275 PolarHBondContact N-O 3.49Å; C185-I275 PolarHBondContact SG-O 3.3Å; M190-I275 HydrophobicContact CE-CD1 3.63Å; M190-I275 HydrophobicContact CE-CG1 4.12Å; M190-I275 HydrophobicContact SD-CB 4.32Å; M190-I275 HydrophobicContact SD-CD1 3.93Å; M190-I275 HydrophobicContact SD-CG1 3.83Å; M190-I275 HydrophobicContact SD-CG2 3.56Å; M190-I275 VanDerWaalsContact SD-CG2 3.56Å; I275-Y362 HydrophobicContact CD1-CD1 4.21Å; I275-Y362 HydrophobicContact CD1-CG 4.39Å |
| 276 | Y | 96.2 | Very high | 95.9 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 166.6 | -179.3 | 78.7 | -73.9 | 0 | 0 | 0 | 111.7 | F274 A361 Y362 L363 Y364 L460 L461 | F274-Y276 HydrophobicContact CD1-CD1 4.47Å; F274-Y276 HydrophobicContact CE1-CG 4.3Å; Y276-A361 HydrophobicContact CD1-CB 4.01Å; Y276-A361 HydrophobicContact CE1-CB 3.82Å; Y276-Y362 VanDerWaalsContact CD1-O 3.24Å; Y276-Y362 WeakPolarHBondContact CD1-O 3.47Å; Y276-Y362 PolarHBondContact N-O 3.35Å; Y276-L363 HydrophobicContact CD2-CD1 4.11Å; Y276-L363 HydrophobicContact CE1-CB 3.9Å; Y276-L363 HydrophobicContact CE1-CD1 4.41Å; Y276-L363 HydrophobicContact CE2-CD1 3.59Å; Y276-Y364 WeakPolarHBondContact O-CB 3.47Å; Y276-Y364 PolarHBondContact O-N 3.4Å; Y276-L460 PolarHBondContact OH-O 3.47Å; Y276-L461 HydrophobicContact CD1-CD2 4.12Å; Y276-L461 HydrophobicContact CD2-CD2 3.73Å; Y276-L461 HydrophobicContact CE1-CD2 3.92Å; Y276-L461 HydrophobicContact CE2-CD2 3.49Å; Y276-L461 VanDerWaalsContact CE2-CD2 3.49Å; Y276-L461 HydrophobicContact CG-CD2 4.05Å |
| 277 | R | 93.2 | Very high | 95.7 | Very high | 54 Ų | 54 | 30.8 Ų | 30.8 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | trans | -122.3 | 162.1 | 171.9 | -160.8 | -178 | -173.1 | -174.5 | 4.1 | 108.5 | C185 P279 K281 M282 Y364 D365 | C185-R277 HydrophobicContact CB-CB 4.04Å; R277-P279 VanDerWaalsContact O-N 3.15Å; R277-K281 HydrophobicContact CG-CB 4.24Å; R277-M282 HydrophobicContact CB-CB 4.24Å; R277-Y364 HydrophobicContact CG-CD1 4.44Å; R277-D365 WeakPolarHBondContact CD-OD1 3.5Å; R277-D365 WeakPolarHBondContact CG-OD1 3.36Å; R277-D365 IonicContact CZ-OD1 2.8Å; R277-D365 IonicContact NE-OD1 3.85Å; R277-D365 PolarHBondContact NE-OD1 3.36Å; R277-D365 IonicContact NH2-OD1 3.9Å | ||
| 278 | Q | 93.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 19% | 0.192 | 15% | 0.151 | C | C | . | . | trans | -39.5 | 122.4 | 164.2 | -81.8 | -81.6 | 7.8 | 0 | 0 | 110.7 | L280 K281 M282 D365 A464 | Q278-L280 VanDerWaalsContact C-N 3.35Å; Q278-L280 PolarHBondContact O-N 3.03Å; Q278-K281 HydrophobicContact CB-CB 4.32Å; Q278-K281 HydrophobicContact CB-CD 4.06Å; Q278-K281 HydrophobicContact CB-CG 4.08Å; Q278-K281 PolarHBondContact O-N 3.21Å; Q278-M282 PolarHBondContact O-N 3.3Å; Q278-D365 VanDerWaalsContact CB-OD2 3.31Å; Q278-D365 WeakPolarHBondContact CB-OD2 3.36Å; Q278-D365 WeakPolarHBondContact CG-OD2 3.32Å; Q278-A464 HydrophobicContact CG-CB 4.46Å | ||
| 279 | P | 92.7 | Very high | 94.9 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 13% | 0.13 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -47.6 | -50.8 | -168.7 | -36.1 | 38.5 | 0 | 0 | 0 | 114.5 | R277 K281 M282 V283 W343 L439 | R277-P279 VanDerWaalsContact O-N 3.15Å; P279-K281 PolarHBondContact O-N 2.94Å; P279-M282 WeakPolarHBondContact O-CB 3.22Å; P279-M282 PolarHBondContact O-N 2.87Å; P279-V283 WeakPolarHBondContact O-CG2 3.44Å; P279-V283 PolarHBondContact O-N 3.46Å; P279-W343 HydrophobicContact CB-CD2 4.4Å; P279-W343 HydrophobicContact CB-CZ2 3.64Å; P279-W343 HydrophobicContact CG-CZ2 3.7Å; P279-L439 HydrophobicContact CB-CG 4.15Å |
| 280 | L | 94.5 | Very high | 94.3 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 15% | 0.147 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | -179.1 | 178.6 | 57.9 | 0 | 0 | 0 | 112.9 | Q278 M282 V283 L284 F336 I419 L439 V440 I470 | Q278-L280 VanDerWaalsContact C-N 3.35Å; Q278-L280 PolarHBondContact O-N 3.03Å; L280-M282 VanDerWaalsContact C-N 3.31Å; L280-M282 PolarHBondContact O-N 3.27Å; L280-V283 PolarHBondContact O-N 3.05Å; L280-L284 HydrophobicContact CD1-CD1 3.85Å; L280-L284 HydrophobicContact CD1-CG 4Å; L280-L284 HydrophobicContact CG-CD1 3.9Å; L280-L284 HydrophobicContact CG-CG 4.47Å; L280-L284 WeakPolarHBondContact O-CB 3.1Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.23Å; L280-F336 HydrophobicContact CD1-CZ 4.46Å; L280-I419 HydrophobicContact CD1-CD1 3.4Å; L280-I419 VanDerWaalsContact CD1-CD1 3.4Å; L280-L439 WeakPolarHBondContact CB-O 3.38Å; L280-V440 HydrophobicContact CD1-CG2 4.24Å; L280-V440 HydrophobicContact CD2-CG2 4.3Å; L280-I470 HydrophobicContact CD2-CD1 4.33Å |
| 281 | K | 93.7 | Very high | 93.6 | Very high | 68 Ų | 68 | 23.7 Ų | 23.7 | 30% | 0.296 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 178.3 | -62.8 | -174 | -168.7 | 163.6 | 0 | 111 | R277 Q278 P279 A285 D365 | R277-K281 HydrophobicContact CG-CB 4.24Å; Q278-K281 HydrophobicContact CB-CB 4.32Å; Q278-K281 HydrophobicContact CB-CD 4.06Å; Q278-K281 HydrophobicContact CB-CG 4.08Å; Q278-K281 PolarHBondContact O-N 3.21Å; P279-K281 PolarHBondContact O-N 2.94Å; K281-A285 VanDerWaalsContact O-CB 3.22Å; K281-A285 WeakPolarHBondContact O-CB 3.24Å; K281-A285 PolarHBondContact O-N 3.42Å; K281-A285 VanDerWaalsContact O-N 3.08Å; K281-D365 WeakPolarHBondContact CD-OD2 3.42Å; K281-D365 WeakPolarHBondContact CE-OD2 3.24Å; K281-D365 IonicContact NZ-OD1 3.87Å; K281-D365 IonicContact NZ-OD2 2.89Å; K281-D365 PolarHBondContact NZ-OD2 3.24Å |
| 282 | M | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.9 | -49.8 | 175 | 175 | -76.4 | -146.8 | 0 | 0 | 110.7 | S182 R277 Q278 P279 L280 A285 H286 W343 | S182-M282 WeakPolarHBondContact O-CE 3.27Å; R277-M282 HydrophobicContact CB-CB 4.24Å; Q278-M282 PolarHBondContact O-N 3.3Å; P279-M282 WeakPolarHBondContact O-CB 3.22Å; P279-M282 PolarHBondContact O-N 2.87Å; L280-M282 VanDerWaalsContact C-N 3.31Å; L280-M282 PolarHBondContact O-N 3.27Å; M282-A285 PolarHBondContact O-N 3.26Å; M282-H286 VanDerWaalsContact CE-CE1 3.49Å; M282-H286 WeakPolarHBondContact CE-CE1 3.27Å; M282-H286 PolarHBondContact O-N 2.76Å; M282-H286 PolarHBondContact O-ND1 2.78Å; M282-H286 PolarHBondContact SD-CE1 3.11Å; M282-H286 PolarHBondContact SD-ND1 3.36Å; M282-W343 HydrophobicContact CE-CB 3.47Å; M282-W343 VanDerWaalsContact CE-CB 3.47Å; M282-W343 HydrophobicContact CE-CG 4.02Å; M282-W343 HydrophobicContact SD-CB 3.96Å; M282-W343 HydrophobicContact SD-CG 4.36Å |
| 283 | V | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | -176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | P279 L280 A285 H286 D287 F336 C339 V340 W343 L439 | P279-V283 WeakPolarHBondContact O-CG2 3.44Å; P279-V283 PolarHBondContact O-N 3.46Å; L280-V283 PolarHBondContact O-N 3.05Å; V283-A285 VanDerWaalsContact C-N 3.29Å; V283-A285 PolarHBondContact O-N 2.85Å; V283-H286 PolarHBondContact O-N 3.06Å; V283-D287 WeakPolarHBondContact O-CB 3.17Å; V283-D287 PolarHBondContact O-N 3.03Å; V283-F336 HydrophobicContact CG1-CD2 3.99Å; V283-F336 HydrophobicContact CG1-CE2 3.51Å; V283-F336 HydrophobicContact CG1-CZ 3.81Å; V283-C339 HydrophobicContact CG1-CB 3.89Å; V283-V340 HydrophobicContact CG1-CG2 3.76Å; V283-V340 HydrophobicContact CG2-CG2 4.5Å; V283-W343 HydrophobicContact CG2-CB 3.71Å; V283-W343 HydrophobicContact CG2-CG 4.08Å; V283-L439 HydrophobicContact CB-CD2 4.29Å; V283-L439 HydrophobicContact CG2-CD2 3.73Å |
| 284 | L | 95.1 | Very high | 91.1 | Very high | 30 Ų | 30 | 19.6 Ų | 19.6 | 16% | 0.157 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.6 | -72.7 | 169.8 | 0 | 0 | 0 | 112 | L280 R288 F336 F416 T417 | L280-L284 HydrophobicContact CD1-CD1 3.85Å; L280-L284 HydrophobicContact CD1-CG 4Å; L280-L284 HydrophobicContact CG-CD1 3.9Å; L280-L284 HydrophobicContact CG-CG 4.47Å; L280-L284 WeakPolarHBondContact O-CB 3.1Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.41Å; L280-L284 PolarHBondContact O-N 3.23Å; L284-R288 WeakPolarHBondContact O-CB 2.91Å; L284-R288 PolarHBondContact O-N 3.24Å; L284-R288 VanDerWaalsContact O-N 3.11Å; L284-F336 HydrophobicContact CD2-CD2 4.27Å; L284-F336 HydrophobicContact CD2-CE2 3.58Å; L284-F336 HydrophobicContact CD2-CZ 4.43Å; L284-F336 HydrophobicContact CG-CE2 4.11Å; L284-F416 HydrophobicContact CB-CD1 3.69Å; L284-F416 HydrophobicContact CB-CE1 3.98Å; L284-F416 HydrophobicContact CB-CG 4.48Å; L284-F416 HydrophobicContact CD2-CB 4.31Å; L284-F416 WeakPolarHBondContact O-CD1 3.01Å; L284-F416 WeakPolarHBondContact O-CE1 3.45Å; L284-T417 WeakPolarHBondContact CD2-O 3.47Å |
| 285 | A | 93.5 | Very high | 90.4 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 5% | 0.05 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.8 | -36.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R184 K281 M282 V283 A289 | R184-A285 HydrophobicContact CB-CB 3.9Å; R184-A285 HydrophobicContact CG-CB 4.4Å; K281-A285 VanDerWaalsContact O-CB 3.22Å; K281-A285 WeakPolarHBondContact O-CB 3.24Å; K281-A285 PolarHBondContact O-N 3.42Å; K281-A285 VanDerWaalsContact O-N 3.08Å; M282-A285 PolarHBondContact O-N 3.26Å; V283-A285 VanDerWaalsContact C-N 3.29Å; V283-A285 PolarHBondContact O-N 2.85Å; A285-A289 VanDerWaalsContact O-CB 3.27Å; A285-A289 WeakPolarHBondContact O-CB 3.27Å; A285-A289 PolarHBondContact O-N 2.72Å; A285-A289 VanDerWaalsContact O-N 3.13Å |
| 286 | H | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.9 | -53.6 | 173.3 | -85.8 | 84.2 | 0 | 0 | 0 | 111.4 | S182 G183 R184 M282 V283 R288 A289 F290 C339 | S182-H286 PolarHBondContact O-CE1 2.93Å; S182-H286 VanDerWaalsContact O-CE1 3.32Å; G183-H286 PolarHBondContact O-CE1 3.04Å; R184-H286 HydrophobicContact CG-CB 4.43Å; M282-H286 VanDerWaalsContact CE-CE1 3.49Å; M282-H286 WeakPolarHBondContact CE-CE1 3.27Å; M282-H286 PolarHBondContact O-N 2.76Å; M282-H286 PolarHBondContact O-ND1 2.78Å; M282-H286 PolarHBondContact SD-CE1 3.11Å; M282-H286 PolarHBondContact SD-ND1 3.36Å; V283-H286 PolarHBondContact O-N 3.06Å; H286-R288 VanDerWaalsContact C-N 3.29Å; H286-R288 PolarHBondContact O-N 3.16Å; H286-A289 PolarHBondContact O-N 3.38Å; H286-F290 HydrophobicContact CB-CD2 4.05Å; H286-F290 AromaticContact CD2-CD2 3.54Å; H286-F290 AromaticContact CD2-CE2 3.3Å; H286-F290 WeakPolarHBondContact CD2-CE2 3.27Å; H286-F290 AromaticContact NE2-CE2 3.94Å; H286-F290 WeakPolarHBondContact O-CB 3.26Å; H286-F290 WeakPolarHBondContact O-CD2 3.25Å; H286-F290 PolarHBondContact O-N 3.42Å; H286-C339 HydrophobicContact CB-CB 4.05Å |
| 287 | D | 93.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.053 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53.9 | -48.9 | -179.8 | 176.3 | 56.8 | 0 | 0 | 0 | 110.6 | V283 A289 F290 A291 M335 F336 T417 | V283-D287 WeakPolarHBondContact O-CB 3.17Å; V283-D287 PolarHBondContact O-N 3.03Å; D287-A289 VanDerWaalsContact C-N 3.34Å; D287-A289 PolarHBondContact O-N 2.9Å; D287-F290 PolarHBondContact O-N 3.47Å; D287-A291 WeakPolarHBondContact O-CB 3.28Å; D287-A291 PolarHBondContact O-N 3.01Å; D287-M335 VanDerWaalsContact OD1-CG 3.28Å; D287-M335 WeakPolarHBondContact OD1-CG 3.4Å; D287-F336 HydrophobicContact CB-CD2 4.1Å; D287-F336 PolarHBondContact OD1-N 3.43Å; D287-T417 VanDerWaalsContact OD2-CB 3.25Å; D287-T417 WeakPolarHBondContact OD2-CB 3.14Å; D287-T417 PolarHBondContact OD2-OG1 2.86Å |
| 288 | R | 91.1 | Very high | 88.9 | Confident | 55 Ų | 55 | 20 Ų | 20 | 21% | 0.208 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 176.6 | -174.5 | 176.3 | 64.4 | 168.3 | 2.8 | 113.5 | L284 H286 C414 F416 | L284-R288 WeakPolarHBondContact O-CB 2.91Å; L284-R288 PolarHBondContact O-N 3.24Å; L284-R288 VanDerWaalsContact O-N 3.11Å; H286-R288 VanDerWaalsContact C-N 3.29Å; H286-R288 PolarHBondContact O-N 3.16Å; R288-C414 WeakPolarHBondContact CD-O 3.16Å; R288-C414 HydrophobicContact CG-CB 3.65Å; R288-F416 HydrophobicContact CB-CD1 4.22Å; R288-F416 HydrophobicContact CB-CE1 4.23Å |
| 289 | A | 88.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -78.6 | -34.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | A285 H286 D287 F406 L411 | A285-A289 VanDerWaalsContact O-CB 3.27Å; A285-A289 WeakPolarHBondContact O-CB 3.27Å; A285-A289 PolarHBondContact O-N 2.72Å; A285-A289 VanDerWaalsContact O-N 3.13Å; H286-A289 PolarHBondContact O-N 3.38Å; D287-A289 VanDerWaalsContact C-N 3.34Å; D287-A289 PolarHBondContact O-N 2.9Å; A289-F406 HydrophobicContact CB-CD1 4.23Å; A289-L411 HydrophobicContact CB-CD1 4.06Å; A289-L411 HydrophobicContact CB-CD2 4.31Å |
| 290 | F | 83.8 | Confident | 88.4 | Confident | 20 Ų | 20 | 19.4 Ų | 19.4 | 9% | 0.088 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -109.9 | -18.4 | -165.4 | -66.5 | -54.4 | 0 | 0 | 0 | 114.7 | R184 H286 D287 P292 T293 F296 F406 | R184-F290 HydrophobicContact CG-CE2 4.04Å; H286-F290 HydrophobicContact CB-CD2 4.05Å; H286-F290 AromaticContact CD2-CD2 3.54Å; H286-F290 AromaticContact CD2-CE2 3.3Å; H286-F290 WeakPolarHBondContact CD2-CE2 3.27Å; H286-F290 AromaticContact NE2-CE2 3.94Å; H286-F290 WeakPolarHBondContact O-CB 3.26Å; H286-F290 WeakPolarHBondContact O-CD2 3.25Å; H286-F290 PolarHBondContact O-N 3.42Å; D287-F290 PolarHBondContact O-N 3.47Å; F290-P292 VanDerWaalsContact C-N 3.25Å; F290-P292 VanDerWaalsContact O-N 3.14Å; F290-T293 HydrophobicContact CD1-CG2 4.21Å; F290-T293 PolarHBondContact O-N 3.39Å; F290-T293 PolarHBondContact O-OG1 3.33Å; F290-F296 HydrophobicContact CB-CB 4Å; F290-F296 HydrophobicContact CB-CD1 3.71Å; F290-F296 HydrophobicContact CB-CD2 3.61Å; F290-F296 HydrophobicContact CB-CE1 3.96Å; F290-F296 HydrophobicContact CB-CE2 3.91Å; F290-F296 HydrophobicContact CB-CG 3.51Å; F290-F296 HydrophobicContact CB-CZ 4.06Å; F290-F296 AromaticContact CD1-CD2 3.47Å; F290-F296 HydrophobicContact CD1-CD2 3.47Å; F290-F296 VanDerWaalsContact CD1-CD2 3.47Å; F290-F296 HydrophobicContact CD1-CE1 4.35Å; F290-F296 AromaticContact CD1-CE2 3.09Å; F290-F296 HydrophobicContact CD1-CE2 3.09Å; F290-F296 HydrophobicContact CD1-CG 4.26Å; F290-F296 AromaticContact CD1-CZ 3.59Å; F290-F296 HydrophobicContact CD1-CZ 3.59Å; F290-F296 HydrophobicContact CD2-CD1 4.36Å; F290-F296 HydrophobicContact CD2-CD2 4.48Å; F290-F296 AromaticContact CD2-CE1 3.72Å; F290-F296 HydrophobicContact CD2-CE1 3.72Å; F290-F296 AromaticContact CD2-CE2 3.91Å; F290-F296 HydrophobicContact CD2-CE2 3.91Å; F290-F296 AromaticContact CD2-CZ 3.47Å; F290-F296 HydrophobicContact CD2-CZ 3.47Å; F290-F296 VanDerWaalsContact CD2-CZ 3.47Å; F290-F296 HydrophobicContact CE1-CD2 4.23Å; F290-F296 AromaticContact CE1-CE2 3.42Å; F290-F296 HydrophobicContact CE1-CE2 3.42Å; F290-F296 VanDerWaalsContact CE1-CE2 3.42Å; F290-F296 AromaticContact CE1-CZ 3.78Å; F290-F296 HydrophobicContact CE1-CZ 3.78Å; F290-F296 HydrophobicContact CE2-CE1 4.28Å; F290-F296 HydrophobicContact CE2-CE2 4.18Å; F290-F296 AromaticContact CE2-CZ 3.68Å; F290-F296 HydrophobicContact CE2-CZ 3.68Å; F290-F296 HydrophobicContact CG-CD1 4.03Å; F290-F296 AromaticContact CG-CD2 3.62Å; F290-F296 HydrophobicContact CG-CD2 3.62Å; F290-F296 AromaticContact CG-CE1 3.76Å; F290-F296 HydrophobicContact CG-CE1 3.76Å; F290-F296 AromaticContact CG-CE2 3.37Å; F290-F296 HydrophobicContact CG-CE2 3.37Å; F290-F296 AromaticContact CG-CG 3.94Å; F290-F296 HydrophobicContact CG-CG 3.94Å; F290-F296 AromaticContact CG-CZ 3.43Å; F290-F296 HydrophobicContact CG-CZ 3.43Å; F290-F296 VanDerWaalsContact CG-CZ 3.43Å; F290-F296 AromaticContact CZ-CE2 3.96Å; F290-F296 HydrophobicContact CZ-CE2 3.96Å; F290-F296 AromaticContact CZ-CZ 3.82Å; F290-F296 HydrophobicContact CZ-CZ 3.82Å; F290-F406 HydrophobicContact CD1-CE1 4.05Å; F290-F406 HydrophobicContact CE1-CD1 4.49Å; F290-F406 AromaticContact CE1-CE1 3.72Å; F290-F406 HydrophobicContact CE1-CE1 3.72Å; F290-F406 AromaticContact CE1-CZ 3.89Å; F290-F406 HydrophobicContact CE1-CZ 3.89Å |
| 291 | A | 83.7 | Confident | 88.1 | Confident | 35 Ų | 35 | 21.1 Ų | 21.1 | 29% | 0.289 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -38.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | D287 T293 K297 M335 | D287-A291 WeakPolarHBondContact O-CB 3.28Å; D287-A291 PolarHBondContact O-N 3.01Å; A291-T293 VanDerWaalsContact C-N 3.34Å; A291-K297 WeakPolarHBondContact O-CE 3.21Å; A291-M335 HydrophobicContact CB-CG 3.81Å |
| 292 | P | 76.5 | Confident | 87.7 | Confident | 8 Ų | 8 | 18.4 Ų | 18.4 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -6.7 | 179.5 | 36.1 | -38.3 | 0 | 0 | 0 | 113.6 | L16 I19 F290 | L16-P292 HydrophobicContact CD1-CB 3.56Å; I19-P292 HydrophobicContact CB-CB 4.1Å; I19-P292 HydrophobicContact CD1-CB 4.01Å; I19-P292 HydrophobicContact CD1-CG 3.63Å; I19-P292 HydrophobicContact CG2-CB 3.6Å; I19-P292 HydrophobicContact CG2-CG 3.93Å; F290-P292 VanDerWaalsContact C-N 3.25Å; F290-P292 VanDerWaalsContact O-N 3.14Å |
| 293 | T | 82.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -86.8 | 136.8 | -174.2 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | F290 A291 F295 F296 K297 M405 F406 | F290-T293 HydrophobicContact CD1-CG2 4.21Å; F290-T293 PolarHBondContact O-N 3.39Å; F290-T293 PolarHBondContact O-OG1 3.33Å; A291-T293 VanDerWaalsContact C-N 3.34Å; T293-F295 VanDerWaalsContact C-N 3.33Å; T293-F295 PolarHBondContact O-N 3.3Å; T293-F296 PolarHBondContact O-N 3.25Å; T293-F296 WeakPolarHBondContact OG1-CB 3.49Å; T293-F296 VanDerWaalsContact OG1-CD2 3.25Å; T293-F296 WeakPolarHBondContact OG1-CD2 3.45Å; T293-K297 WeakPolarHBondContact O-CG 3.49Å; T293-K297 PolarHBondContact O-N 2.87Å; T293-M405 HydrophobicContact CG2-CE 3.85Å; T293-F406 HydrophobicContact CG2-CE1 4.43Å | ||
| 294 | I | 82.9 | Confident | 87 | Confident | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.062 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | -178.5 | -173.9 | 59.2 | 0 | 0 | 0 | 112.4 | H23 W24 V82 F296 K297 L298 | H23-I294 HydrophobicContact CB-CB 4.19Å; H23-I294 HydrophobicContact CB-CG2 3.93Å; W24-I294 HydrophobicContact CH2-CD1 4.09Å; W24-I294 HydrophobicContact CZ2-CD1 3.48Å; W24-I294 VanDerWaalsContact CZ2-CD1 3.48Å; V82-I294 HydrophobicContact CB-CG2 3.91Å; V82-I294 HydrophobicContact CG1-CG2 3.43Å; V82-I294 VanDerWaalsContact CG1-CG2 3.43Å; I294-F296 PolarHBondContact O-N 3.27Å; I294-K297 WeakPolarHBondContact O-CB 3.44Å; I294-K297 PolarHBondContact O-N 3.12Å; I294-K297 VanDerWaalsContact O-N 3.12Å; I294-L298 HydrophobicContact CG1-CD1 4.4Å; I294-L298 WeakPolarHBondContact O-CG 3.38Å; I294-L298 PolarHBondContact O-N 2.92Å |
| 295 | F | 83.6 | Confident | 86.7 | Confident | 31 Ų | 31 | 28.6 Ų | 28.6 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | -179.6 | 172.9 | -100.1 | 0 | 0 | 0 | 112.2 | T84 T293 K297 L298 V299 V315 F317 | T84-F295 HydrophobicContact CG2-CB 4.29Å; T84-F295 WeakPolarHBondContact OG1-CB 3.42Å; T293-F295 VanDerWaalsContact C-N 3.33Å; T293-F295 PolarHBondContact O-N 3.3Å; F295-K297 PolarHBondContact O-N 2.9Å; F295-L298 WeakPolarHBondContact O-CB 3.21Å; F295-L298 PolarHBondContact O-N 3.46Å; F295-L298 VanDerWaalsContact O-N 3.07Å; F295-V299 HydrophobicContact CD1-CG2 4.36Å; F295-V299 HydrophobicContact CE1-CG2 4.01Å; F295-V299 HydrophobicContact CZ-CG2 4.15Å; F295-V299 WeakPolarHBondContact O-CG2 3.12Å; F295-V299 PolarHBondContact O-N 2.81Å; F295-V315 HydrophobicContact CE2-CB 4.41Å; F295-V315 WeakPolarHBondContact CE2-O 3.4Å; F295-F317 HydrophobicContact CE1-CD2 4.45Å; F295-F317 HydrophobicContact CZ-CD2 4.19Å |
| 296 | F | 85.5 | Confident | 86.3 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.5 | -23.2 | 178.1 | -78.8 | -101.8 | 0 | 0 | 0 | 113 | F254 F290 T293 I294 V299 Q300 M335 I342 | F254-F296 HydrophobicContact CE1-CZ 4.22Å; F254-F296 HydrophobicContact CZ-CE1 4.35Å; F254-F296 AromaticContact CZ-CZ 3.81Å; F254-F296 HydrophobicContact CZ-CZ 3.81Å; F290-F296 HydrophobicContact CB-CB 4Å; F290-F296 HydrophobicContact CB-CD1 3.71Å; F290-F296 HydrophobicContact CB-CD2 3.61Å; F290-F296 HydrophobicContact CB-CE1 3.96Å; F290-F296 HydrophobicContact CB-CE2 3.91Å; F290-F296 HydrophobicContact CB-CG 3.51Å; F290-F296 HydrophobicContact CB-CZ 4.06Å; F290-F296 AromaticContact CD1-CD2 3.47Å; F290-F296 HydrophobicContact CD1-CD2 3.47Å; F290-F296 VanDerWaalsContact CD1-CD2 3.47Å; F290-F296 HydrophobicContact CD1-CE1 4.35Å; F290-F296 AromaticContact CD1-CE2 3.09Å; F290-F296 HydrophobicContact CD1-CE2 3.09Å; F290-F296 HydrophobicContact CD1-CG 4.26Å; F290-F296 AromaticContact CD1-CZ 3.59Å; F290-F296 HydrophobicContact CD1-CZ 3.59Å; F290-F296 HydrophobicContact CD2-CD1 4.36Å; F290-F296 HydrophobicContact CD2-CD2 4.48Å; F290-F296 AromaticContact CD2-CE1 3.72Å; F290-F296 HydrophobicContact CD2-CE1 3.72Å; F290-F296 AromaticContact CD2-CE2 3.91Å; F290-F296 HydrophobicContact CD2-CE2 3.91Å; F290-F296 AromaticContact CD2-CZ 3.47Å; F290-F296 HydrophobicContact CD2-CZ 3.47Å; F290-F296 VanDerWaalsContact CD2-CZ 3.47Å; F290-F296 HydrophobicContact CE1-CD2 4.23Å; F290-F296 AromaticContact CE1-CE2 3.42Å; F290-F296 HydrophobicContact CE1-CE2 3.42Å; F290-F296 VanDerWaalsContact CE1-CE2 3.42Å; F290-F296 AromaticContact CE1-CZ 3.78Å; F290-F296 HydrophobicContact CE1-CZ 3.78Å; F290-F296 HydrophobicContact CE2-CE1 4.28Å; F290-F296 HydrophobicContact CE2-CE2 4.18Å; F290-F296 AromaticContact CE2-CZ 3.68Å; F290-F296 HydrophobicContact CE2-CZ 3.68Å; F290-F296 HydrophobicContact CG-CD1 4.03Å; F290-F296 AromaticContact CG-CD2 3.62Å; F290-F296 HydrophobicContact CG-CD2 3.62Å; F290-F296 AromaticContact CG-CE1 3.76Å; F290-F296 HydrophobicContact CG-CE1 3.76Å; F290-F296 AromaticContact CG-CE2 3.37Å; F290-F296 HydrophobicContact CG-CE2 3.37Å; F290-F296 AromaticContact CG-CG 3.94Å; F290-F296 HydrophobicContact CG-CG 3.94Å; F290-F296 AromaticContact CG-CZ 3.43Å; F290-F296 HydrophobicContact CG-CZ 3.43Å; F290-F296 VanDerWaalsContact CG-CZ 3.43Å; F290-F296 AromaticContact CZ-CE2 3.96Å; F290-F296 HydrophobicContact CZ-CE2 3.96Å; F290-F296 AromaticContact CZ-CZ 3.82Å; F290-F296 HydrophobicContact CZ-CZ 3.82Å; T293-F296 PolarHBondContact O-N 3.25Å; T293-F296 WeakPolarHBondContact OG1-CB 3.49Å; T293-F296 VanDerWaalsContact OG1-CD2 3.25Å; T293-F296 WeakPolarHBondContact OG1-CD2 3.45Å; I294-F296 PolarHBondContact O-N 3.27Å; F296-V299 WeakPolarHBondContact O-CB 3.38Å; F296-V299 PolarHBondContact O-N 3.17Å; F296-Q300 WeakPolarHBondContact O-CB 3.31Å; F296-Q300 PolarHBondContact O-N 2.71Å; F296-M335 HydrophobicContact CB-CE 4.22Å; F296-M335 HydrophobicContact CB-SD 4.25Å; F296-I342 HydrophobicContact CD1-CD1 3.87Å; F296-I342 HydrophobicContact CE1-CD1 3.57Å |
| 297 | K | 86.4 | Confident | 85.9 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.2 | -35.2 | 168.9 | -71.2 | 177.3 | 166.9 | -149.5 | 0 | 112.8 | Y20 A291 T293 I294 F295 Q300 L301 M335 | Y20-K297 VanDerWaalsContact CZ-NZ 3.27Å; Y20-K297 PolarHBondContact OH-NZ 3.42Å; A291-K297 WeakPolarHBondContact O-CE 3.21Å; T293-K297 WeakPolarHBondContact O-CG 3.49Å; T293-K297 PolarHBondContact O-N 2.87Å; I294-K297 WeakPolarHBondContact O-CB 3.44Å; I294-K297 PolarHBondContact O-N 3.12Å; I294-K297 VanDerWaalsContact O-N 3.12Å; F295-K297 PolarHBondContact O-N 2.9Å; K297-Q300 PolarHBondContact O-N 3Å; K297-L301 WeakPolarHBondContact O-CB 3.48Å; K297-L301 PolarHBondContact O-N 3.31Å; K297-M335 HydrophobicContact CG-CE 4.09Å |
| 298 | L | 84.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 12% | 0.115 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.5 | -38.7 | 172.1 | -63.9 | 170.6 | 0 | 0 | 0 | 110.7 | I294 F295 L301 S302 V315 | I294-L298 HydrophobicContact CG1-CD1 4.4Å; I294-L298 WeakPolarHBondContact O-CG 3.38Å; I294-L298 PolarHBondContact O-N 2.92Å; F295-L298 WeakPolarHBondContact O-CB 3.21Å; F295-L298 PolarHBondContact O-N 3.46Å; F295-L298 VanDerWaalsContact O-N 3.07Å; L298-L301 WeakPolarHBondContact O-CB 3.39Å; L298-L301 PolarHBondContact O-N 3.36Å; L298-S302 PolarHBondContact O-N 3.01Å; L298-S302 VanDerWaalsContact O-N 3.08Å; L298-V315 HydrophobicContact CB-CG1 3.66Å |
| 299 | V | 85.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 169.6 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | F295 F296 L301 S302 F303 W308 V315 T338 | F295-V299 HydrophobicContact CD1-CG2 4.36Å; F295-V299 HydrophobicContact CE1-CG2 4.01Å; F295-V299 HydrophobicContact CZ-CG2 4.15Å; F295-V299 WeakPolarHBondContact O-CG2 3.12Å; F295-V299 PolarHBondContact O-N 2.81Å; F296-V299 WeakPolarHBondContact O-CB 3.38Å; F296-V299 PolarHBondContact O-N 3.17Å; V299-L301 VanDerWaalsContact C-N 3.26Å; V299-L301 PolarHBondContact O-N 2.77Å; V299-S302 PolarHBondContact O-N 3.18Å; V299-S302 VanDerWaalsContact O-N 3.16Å; V299-S302 PolarHBondContact O-OG 3.3Å; V299-F303 PolarHBondContact O-N 3.15Å; V299-W308 HydrophobicContact CG1-CH2 3.6Å; V299-W308 HydrophobicContact CG1-CZ3 3.5Å; V299-W308 VanDerWaalsContact CG1-CZ3 3.5Å; V299-V315 HydrophobicContact CG2-CB 4.45Å; V299-V315 HydrophobicContact CG2-CG2 3.93Å; V299-T338 HydrophobicContact CG1-CG2 3.99Å |
| 300 | Q | 89 | Confident | 84 | Confident | 47 Ų | 47 | 42.3 Ų | 42.3 | 22% | 0.22 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -35.5 | 175.9 | -175.8 | -173.1 | 18.7 | 0 | 0 | 112 | F296 K297 S302 F303 Y304 P333 T334 M335 T338 | F296-Q300 WeakPolarHBondContact O-CB 3.31Å; F296-Q300 PolarHBondContact O-N 2.71Å; K297-Q300 PolarHBondContact O-N 3Å; Q300-S302 VanDerWaalsContact C-N 3.35Å; Q300-F303 WeakPolarHBondContact O-CB 3.5Å; Q300-F303 PolarHBondContact O-N 3.32Å; Q300-Y304 PolarHBondContact O-N 3.13Å; Q300-P333 PolarHBondContact NE2-O 3.28Å; Q300-T334 VanDerWaalsContact NE2-C 3.34Å; Q300-M335 HydrophobicContact CB-CE 4.06Å; Q300-M335 VanDerWaalsContact NE2-N 3.17Å; Q300-T338 HydrophobicContact CB-CG2 4.41Å |
| 301 | L | 87.8 | Confident | 83.3 | Confident | 63 Ų | 63 | 41.4 Ų | 41.4 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 177 | -178.7 | 62.1 | 0 | 0 | 0 | 111.2 | K297 L298 V299 F303 Y304 L305 | K297-L301 WeakPolarHBondContact O-CB 3.48Å; K297-L301 PolarHBondContact O-N 3.31Å; L298-L301 WeakPolarHBondContact O-CB 3.39Å; L298-L301 PolarHBondContact O-N 3.36Å; V299-L301 VanDerWaalsContact C-N 3.26Å; V299-L301 PolarHBondContact O-N 2.77Å; L301-F303 PolarHBondContact O-N 3.27Å; L301-Y304 WeakPolarHBondContact O-CB 3.47Å; L301-Y304 PolarHBondContact O-N 3.38Å; L301-Y304 VanDerWaalsContact O-N 3.16Å; L301-L305 HydrophobicContact CD1-CD1 4.2Å; L301-L305 HydrophobicContact CD1-CG 4.15Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 HydrophobicContact CG-CG 4.39Å; L301-L305 WeakPolarHBondContact O-CB 3.39Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 3.43Å |
| 302 | S | 84.9 | Confident | 82.6 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 173.5 | 74.9 | 0 | 0 | 0 | 0 | 111.8 | L298 V299 Q300 L305 K306 R307 | L298-S302 PolarHBondContact O-N 3.01Å; L298-S302 VanDerWaalsContact O-N 3.08Å; V299-S302 PolarHBondContact O-N 3.18Å; V299-S302 VanDerWaalsContact O-N 3.16Å; V299-S302 PolarHBondContact O-OG 3.3Å; Q300-S302 VanDerWaalsContact C-N 3.35Å; S302-L305 PolarHBondContact O-N 3.1Å; S302-K306 PolarHBondContact O-N 2.87Å; S302-R307 CarbonylContact O-C 3.46Å; S302-R307 PolarHBondContact O-N 3.22Å |
| 303 | F | 87.9 | Confident | 82.2 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 174.6 | -170.3 | -162.5 | 0 | 0 | 0 | 112 | V299 Q300 L301 L305 K306 W308 A327 L331 P333 V341 | V299-F303 PolarHBondContact O-N 3.15Å; Q300-F303 WeakPolarHBondContact O-CB 3.5Å; Q300-F303 PolarHBondContact O-N 3.32Å; L301-F303 PolarHBondContact O-N 3.27Å; F303-L305 VanDerWaalsContact C-N 3.25Å; F303-L305 PolarHBondContact O-N 2.89Å; F303-K306 WeakPolarHBondContact O-CA 3.49Å; F303-K306 PolarHBondContact O-N 3.44Å; F303-W308 HydrophobicContact CB-CE3 3.57Å; F303-W308 HydrophobicContact CB-CZ3 3.85Å; F303-W308 HydrophobicContact CG-CE3 4.17Å; F303-W308 HydrophobicContact CG-CZ3 4.46Å; F303-A327 HydrophobicContact CE2-CB 4.02Å; F303-A327 HydrophobicContact CZ-CB 4.2Å; F303-L331 HydrophobicContact CE1-CB 4.36Å; F303-L331 HydrophobicContact CZ-CB 3.77Å; F303-P333 HydrophobicContact CB-CB 4.44Å; F303-P333 HydrophobicContact CD1-CB 3.96Å; F303-P333 HydrophobicContact CE1-CB 4.27Å; F303-P333 HydrophobicContact CG-CB 4.09Å; F303-V341 HydrophobicContact CE1-CG2 4.23Å; F303-V341 HydrophobicContact CZ-CG2 4.45Å |
| 304 | Y | 88.2 | Confident | 81.3 | Confident | 147 Ų | 147 | 50.9 Ų | 50.9 | 58% | 0.576 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.6 | -39.4 | 177.2 | -175.5 | -91 | 0 | 0 | 0 | 112.2 | Q300 L301 K306 P333 | Q300-Y304 PolarHBondContact O-N 3.13Å; L301-Y304 WeakPolarHBondContact O-CB 3.47Å; L301-Y304 PolarHBondContact O-N 3.38Å; L301-Y304 VanDerWaalsContact O-N 3.16Å; Y304-K306 PolarHBondContact O-N 3.43Å; Y304-P333 HydrophobicContact CD2-CB 4.14Å; Y304-P333 HydrophobicContact CD2-CG 3.64Å; Y304-P333 HydrophobicContact CE2-CG 4.39Å; Y304-P333 HydrophobicContact CG-CG 4.39Å |
| 305 | L | 88.2 | Confident | 80.5 | Confident | 95 Ų | 95 | 51.1 Ų | 51.1 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0.2 | 177.1 | -63.1 | 176 | 0 | 0 | 0 | 113.2 | L301 S302 F303 R307 | L301-L305 HydrophobicContact CD1-CD1 4.2Å; L301-L305 HydrophobicContact CD1-CG 4.15Å; L301-L305 HydrophobicContact CG-CD1 4.04Å; L301-L305 HydrophobicContact CG-CG 4.39Å; L301-L305 WeakPolarHBondContact O-CB 3.39Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 3.43Å; S302-L305 PolarHBondContact O-N 3.1Å; F303-L305 VanDerWaalsContact C-N 3.25Å; F303-L305 PolarHBondContact O-N 2.89Å; L305-R307 HydrophobicContact CB-CG 4.38Å; L305-R307 WeakPolarHBondContact O-CG 3.47Å; L305-R307 PolarHBondContact O-N 2.78Å |
| 306 | K | 85.2 | Confident | 79.6 | Confident | 144 Ų | 144 | 50.9 Ų | 50.9 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.2 | -173.6 | -57.5 | -175.6 | 176.9 | -175.5 | 0 | 114.3 | S302 F303 Y304 N328 | S302-K306 PolarHBondContact O-N 2.87Å; F303-K306 WeakPolarHBondContact O-CA 3.49Å; F303-K306 PolarHBondContact O-N 3.44Å; Y304-K306 PolarHBondContact O-N 3.43Å; K306-N328 PolarHBondContact O-ND2 2.92Å |
| 307 | R | 83.7 | Confident | 78.9 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 36% | 0.362 | 24% | 0.238 | S | C | . | . | trans | -109.8 | 43.8 | -180 | -63.2 | 176.8 | 79.2 | -169.9 | 6 | 110.2 | S302 L305 E310 G311 Y314 | S302-R307 CarbonylContact O-C 3.46Å; S302-R307 PolarHBondContact O-N 3.22Å; L305-R307 HydrophobicContact CB-CG 4.38Å; L305-R307 WeakPolarHBondContact O-CG 3.47Å; L305-R307 PolarHBondContact O-N 2.78Å; R307-E310 HydrophobicContact CB-CB 4.14Å; R307-E310 HydrophobicContact CB-CG 4.25Å; R307-E310 WeakPolarHBondContact CG-OE1 3.47Å; R307-E310 IonicContact CZ-OE1 2.75Å; R307-E310 IonicContact CZ-OE2 3.88Å; R307-E310 IonicContact NE-OE1 3.5Å; R307-E310 PolarHBondContact NE-OE1 2.9Å; R307-E310 IonicContact NE-OE2 3.23Å; R307-E310 PolarHBondContact NE-OE2 2.91Å; R307-E310 VanDerWaalsContact NE-OE2 3.09Å; R307-E310 IonicContact NH2-OE1 3.81Å; R307-E310 PolarHBondContact NH2-OE1 2.78Å; R307-E310 IonicContact NH2-OE2 3.56Å; R307-E310 PolarHBondContact NH2-OE2 3.49Å; R307-E310 CarbonylContact O-C 3.56Å; R307-E310 PolarHBondContact O-N 3.46Å; R307-G311 PolarHBondContact O-N 2.88Å; R307-G311 VanDerWaalsContact O-N 3.09Å; R307-Y314 PolarHBondContact NH2-OH 3.29Å | ||
| 308 | W | 77.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -66.9 | -39.6 | -174.4 | 179.2 | -96.4 | 0 | 0 | 0 | 112.2 | V299 F303 E310 G311 R319 A324 T338 V341 I342 | V299-W308 HydrophobicContact CG1-CH2 3.6Å; V299-W308 HydrophobicContact CG1-CZ3 3.5Å; V299-W308 VanDerWaalsContact CG1-CZ3 3.5Å; F303-W308 HydrophobicContact CB-CE3 3.57Å; F303-W308 HydrophobicContact CB-CZ3 3.85Å; F303-W308 HydrophobicContact CG-CE3 4.17Å; F303-W308 HydrophobicContact CG-CZ3 4.46Å; W308-E310 PolarHBondContact O-N 3.4Å; W308-G311 PolarHBondContact O-N 3.3Å; W308-R319 HydrophobicContact CD2-CG 4.32Å; W308-R319 HydrophobicContact CG-CG 4.32Å; W308-R319 HydrophobicContact CZ2-CG 4.34Å; W308-R319 VanDerWaalsContact NE1-CD 3.29Å; W308-R319 VanDerWaalsContact NE1-CG 3.28Å; W308-A324 HydrophobicContact CB-CB 4.11Å; W308-A324 HydrophobicContact CG-CB 4.21Å; W308-T338 HydrophobicContact CH2-CG2 3.79Å; W308-T338 HydrophobicContact CZ3-CG2 3.8Å; W308-V341 HydrophobicContact CD2-CG1 4.26Å; W308-V341 HydrophobicContact CH2-CB 4.17Å; W308-V341 HydrophobicContact CH2-CG1 4.16Å; W308-V341 HydrophobicContact CZ2-CB 3.73Å; W308-V341 HydrophobicContact CZ2-CG1 3.27Å; W308-I342 HydrophobicContact CH2-CG1 4.16Å; W308-I342 HydrophobicContact CZ2-CG1 4.41Å |
| 309 | D | 77 | Confident | 77.4 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.8 | 171.1 | 57.5 | -31.9 | 0 | 0 | 0 | 112.7 | Q312 A324 | D309-Q312 PolarHBondContact O-NE2 3.2Å; D309-A324 HydrophobicContact CB-CB 4.09Å |
| 310 | E | 78.4 | Confident | 77.5 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -7.8 | 173 | -50.5 | -175.5 | -128.8 | 0 | 0 | 113.5 | R307 W308 Q312 Q313 Y314 | R307-E310 HydrophobicContact CB-CB 4.14Å; R307-E310 HydrophobicContact CB-CG 4.25Å; R307-E310 WeakPolarHBondContact CG-OE1 3.47Å; R307-E310 IonicContact CZ-OE1 2.75Å; R307-E310 IonicContact CZ-OE2 3.88Å; R307-E310 IonicContact NE-OE1 3.5Å; R307-E310 PolarHBondContact NE-OE1 2.9Å; R307-E310 IonicContact NE-OE2 3.23Å; R307-E310 PolarHBondContact NE-OE2 2.91Å; R307-E310 VanDerWaalsContact NE-OE2 3.09Å; R307-E310 IonicContact NH2-OE1 3.81Å; R307-E310 PolarHBondContact NH2-OE1 2.78Å; R307-E310 IonicContact NH2-OE2 3.56Å; R307-E310 PolarHBondContact NH2-OE2 3.49Å; R307-E310 CarbonylContact O-C 3.56Å; R307-E310 PolarHBondContact O-N 3.46Å; W308-E310 PolarHBondContact O-N 3.4Å; E310-Q312 PolarHBondContact O-N 3.02Å; E310-Q313 WeakPolarHBondContact O-CB 3.43Å; E310-Q313 PolarHBondContact O-N 3.24Å; E310-Y314 HydrophobicContact CB-CD2 4.12Å; E310-Y314 HydrophobicContact CB-CE2 3.75Å; E310-Y314 VanDerWaalsContact O-CD2 3.26Å; E310-Y314 WeakPolarHBondContact O-CD2 3.45Å; E310-Y314 PolarHBondContact O-N 3.5Å |
| 311 | G | 69.6 | Low | 77.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.8 | -27.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R307 W308 Q313 Y314 V315 G316 | R307-G311 PolarHBondContact O-N 2.88Å; R307-G311 VanDerWaalsContact O-N 3.09Å; W308-G311 PolarHBondContact O-N 3.3Å; G311-Q313 VanDerWaalsContact C-N 3.33Å; G311-Q313 PolarHBondContact O-N 3.27Å; G311-Y314 PolarHBondContact O-N 3.28Å; G311-V315 WeakPolarHBondContact O-CA 3.29Å; G311-V315 WeakPolarHBondContact O-CG2 3.45Å; G311-V315 PolarHBondContact O-N 2.94Å; G311-G316 PolarHBondContact O-N 3.42Å |
| 312 | Q | 68.8 | Low | 77.6 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 173.7 | 72.5 | -174.4 | -25.9 | 0 | 0 | 113.9 | L218 D309 E310 G316 F317 H318 | L218-Q312 HydrophobicContact CD1-CB 3.93Å; L218-Q312 HydrophobicContact CD1-CG 4.09Å; L218-Q312 VanDerWaalsContact CD1-OE1 3.31Å; D309-Q312 PolarHBondContact O-NE2 3.2Å; E310-Q312 PolarHBondContact O-N 3.02Å; Q312-G316 VanDerWaalsContact O-CA 3.22Å; Q312-G316 WeakPolarHBondContact O-CA 3.42Å; Q312-G316 PolarHBondContact O-N 3.49Å; Q312-G316 VanDerWaalsContact O-N 3.13Å; Q312-F317 WeakPolarHBondContact CA-O 3.43Å; Q312-F317 WeakPolarHBondContact CB-O 3.48Å; Q312-F317 PolarHBondContact N-O 3Å; Q312-F317 VanDerWaalsContact N-O 3.16Å; Q312-H318 PolarHBondContact OE1-CD2 3.47Å |
| 313 | Q | 68.5 | Low | 78 | Confident | 97 Ų | 97 | 55.6 Ų | 55.6 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.3 | -49.7 | 177.3 | -60.3 | -178.6 | -3.3 | 0 | 0 | 108.4 | E310 G311 I490 | E310-Q313 WeakPolarHBondContact O-CB 3.43Å; E310-Q313 PolarHBondContact O-N 3.24Å; G311-Q313 VanDerWaalsContact C-N 3.33Å; G311-Q313 PolarHBondContact O-N 3.27Å; Q313-I490 WeakPolarHBondContact O-CD1 3.33Å; Q313-I490 WeakPolarHBondContact O-CG1 3.48Å |
| 314 | Y | 64.5 | Low | 78.2 | Confident | 95 Ų | 95 | 55.6 Ų | 55.6 | 37% | 0.373 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -80.1 | -38 | -170.1 | -59.2 | -59.8 | 0 | 0 | 0 | 114.8 | R307 E310 G311 C488 | R307-Y314 PolarHBondContact NH2-OH 3.29Å; E310-Y314 HydrophobicContact CB-CD2 4.12Å; E310-Y314 HydrophobicContact CB-CE2 3.75Å; E310-Y314 VanDerWaalsContact O-CD2 3.26Å; E310-Y314 WeakPolarHBondContact O-CD2 3.45Å; E310-Y314 PolarHBondContact O-N 3.5Å; G311-Y314 PolarHBondContact O-N 3.28Å; Y314-C488 WeakPolarHBondContact O-CB 3.41Å |
| 315 | V | 66.1 | Low | 78.4 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -121 | 6.1 | -173.7 | -61 | 0 | 0 | 0 | 0 | 113.2 | F295 L298 V299 G311 F317 | F295-V315 HydrophobicContact CE2-CB 4.41Å; F295-V315 WeakPolarHBondContact CE2-O 3.4Å; L298-V315 HydrophobicContact CB-CG1 3.66Å; V299-V315 HydrophobicContact CG2-CB 4.45Å; V299-V315 HydrophobicContact CG2-CG2 3.93Å; G311-V315 WeakPolarHBondContact O-CA 3.29Å; G311-V315 WeakPolarHBondContact O-CG2 3.45Å; G311-V315 PolarHBondContact O-N 2.94Å; V315-F317 VanDerWaalsContact C-N 3.28Å; V315-F317 HydrophobicContact CG2-CB 4.18Å; V315-F317 PolarHBondContact O-N 3.42Å |
| 316 | G | 64.7 | Low | 78.7 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 64.5 | 33.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y214 G311 Q312 | Y214-G316 WeakPolarHBondContact CE1-O 3.21Å; G311-G316 PolarHBondContact O-N 3.42Å; Q312-G316 VanDerWaalsContact O-CA 3.22Å; Q312-G316 WeakPolarHBondContact O-CA 3.42Å; Q312-G316 PolarHBondContact O-N 3.49Å; Q312-G316 VanDerWaalsContact O-N 3.13Å |
| 317 | F | 70.1 | Confident | 79.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | trans | -124.7 | 99.5 | 177.7 | -153.6 | -60.4 | 0 | 0 | 0 | 109.7 | Y214 F254 F255 F295 Q312 V315 | Y214-F317 WeakPolarHBondContact OH-CD1 3.45Å; F254-F317 HydrophobicContact CD2-CZ 4.29Å; F254-F317 AromaticContact CE2-CE2 3.59Å; F254-F317 HydrophobicContact CE2-CE2 3.59Å; F254-F317 AromaticContact CE2-CZ 3.54Å; F254-F317 HydrophobicContact CE2-CZ 3.54Å; F254-F317 AromaticContact CZ-CE2 3.82Å; F254-F317 HydrophobicContact CZ-CE2 3.82Å; F254-F317 HydrophobicContact CZ-CZ 4.25Å; F255-F317 HydrophobicContact CB-CD2 4.29Å; F255-F317 HydrophobicContact CB-CE1 3.89Å; F255-F317 HydrophobicContact CB-CE2 3.55Å; F255-F317 HydrophobicContact CB-CZ 3.35Å; F255-F317 HydrophobicContact CD1-CD2 4.08Å; F255-F317 AromaticContact CD1-CE2 3.57Å; F255-F317 HydrophobicContact CD1-CE2 3.57Å; F255-F317 HydrophobicContact CD1-CZ 4.26Å; F255-F317 HydrophobicContact CG-CD2 4.3Å; F255-F317 AromaticContact CG-CE2 3.84Å; F255-F317 HydrophobicContact CG-CE2 3.84Å; F255-F317 HydrophobicContact CG-CZ 4.16Å; F295-F317 HydrophobicContact CE1-CD2 4.45Å; F295-F317 HydrophobicContact CZ-CD2 4.19Å; Q312-F317 WeakPolarHBondContact CA-O 3.43Å; Q312-F317 WeakPolarHBondContact CB-O 3.48Å; Q312-F317 PolarHBondContact N-O 3Å; Q312-F317 VanDerWaalsContact N-O 3.16Å; V315-F317 VanDerWaalsContact C-N 3.28Å; V315-F317 HydrophobicContact CG2-CB 4.18Å; V315-F317 PolarHBondContact O-N 3.42Å | ||
| 318 | H | 64.6 | Low | 79.6 | Confident | 53 Ų | 53 | 41 Ų | 41 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | trans | -57.5 | 135.3 | 172.2 | 177.9 | -82.4 | 0 | 0 | 0 | 111.9 | Y214 Q312 | Y214-H318 HydrophobicContact CE1-CB 4.19Å; Y214-H318 HydrophobicContact CE2-CB 4.18Å; Y214-H318 WeakPolarHBondContact OH-CA 3.35Å; Y214-H318 WeakPolarHBondContact OH-CB 3.35Å; Y214-H318 PolarHBondContact OH-N 3.38Å; Y214-H318 PolarHBondContact OH-O 3.47Å; Q312-H318 PolarHBondContact OE1-CD2 3.47Å | ||
| 319 | R | 75.5 | Confident | 80.4 | Confident | 9 Ų | 9 | 45 Ų | 45 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | trans | -134.1 | 138.5 | -177.9 | -60.8 | -59.5 | -171.9 | -177.3 | -6.3 | 111 | W308 S321 D345 | W308-R319 HydrophobicContact CD2-CG 4.32Å; W308-R319 HydrophobicContact CG-CG 4.32Å; W308-R319 HydrophobicContact CZ2-CG 4.34Å; W308-R319 VanDerWaalsContact NE1-CD 3.29Å; W308-R319 VanDerWaalsContact NE1-CG 3.28Å; R319-S321 PolarHBondContact O-N 3.23Å; R319-D345 WeakPolarHBondContact CD-OD2 3.17Å; R319-D345 IonicContact CZ-OD2 2.78Å; R319-D345 IonicContact NE-OD2 2.82Å; R319-D345 IonicContact NH1-OD2 3.63Å; R319-D345 PolarHBondContact NH1-OD2 3.15Å | ||
| 320 | D | 86.8 | Confident | 81.3 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.15 | 23% | 0.234 | C | C | . | . | trans | -64.2 | 125.5 | 169.7 | -171.7 | -66.5 | 0 | 0 | 0 | 110.4 | H322 V323 A324 D345 R352 | D320-H322 VanDerWaalsContact C-N 3.29Å; D320-H322 PolarHBondContact O-N 3.42Å; D320-H322 VanDerWaalsContact OD1-CB 3.26Å; D320-H322 WeakPolarHBondContact OD1-CB 3.5Å; D320-H322 PolarHBondContact OD1-N 2.78Å; D320-V323 HydrophobicContact CB-CB 4.05Å; D320-V323 HydrophobicContact CB-CG2 3.75Å; D320-V323 WeakPolarHBondContact O-CB 3.41Å; D320-V323 PolarHBondContact O-N 3.2Å; D320-V323 PolarHBondContact OD1-N 3.43Å; D320-A324 PolarHBondContact O-N 3.32Å; D320-D345 PolarHBondContact N-OD1 2.98Å; D320-R352 IonicContact OD2-NH2 2.69Å; D320-R352 PolarHBondContact OD2-NH2 2.95Å | ||
| 321 | S | 87.6 | Confident | 82.2 | Confident | 87 Ų | 87 | 43.9 Ų | 43.9 | 61% | 0.608 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.7 | -30.6 | -175.1 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | R319 A324 H325 | R319-S321 PolarHBondContact O-N 3.23Å; S321-A324 WeakPolarHBondContact O-CB 3.44Å; S321-A324 PolarHBondContact O-N 3Å; S321-H325 WeakPolarHBondContact O-CB 3.38Å; S321-H325 PolarHBondContact O-N 3.28Å |
| 322 | H | 92.4 | Very high | 83.4 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.4 | -42.9 | 174.7 | -177.4 | 61.2 | 0 | 0 | 0 | 110.4 | D320 A324 H325 C326 L434 | D320-H322 VanDerWaalsContact C-N 3.29Å; D320-H322 PolarHBondContact O-N 3.42Å; D320-H322 VanDerWaalsContact OD1-CB 3.26Å; D320-H322 WeakPolarHBondContact OD1-CB 3.5Å; D320-H322 PolarHBondContact OD1-N 2.78Å; H322-A324 VanDerWaalsContact C-N 3.32Å; H322-A324 PolarHBondContact O-N 2.68Å; H322-H325 PolarHBondContact O-N 3.4Å; H322-C326 PolarHBondContact O-N 2.63Å; H322-C326 PolarHBondContact O-SG 3.08Å; H322-L434 VanDerWaalsContact CD2-CD2 3.47Å; H322-L434 WeakPolarHBondContact CD2-CD2 3.42Å |
| 323 | V | 93 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | D320 H325 C326 A327 V341 A344 D345 I348 F430 L434 | D320-V323 HydrophobicContact CB-CB 4.05Å; D320-V323 HydrophobicContact CB-CG2 3.75Å; D320-V323 WeakPolarHBondContact O-CB 3.41Å; D320-V323 PolarHBondContact O-N 3.2Å; D320-V323 PolarHBondContact OD1-N 3.43Å; V323-H325 PolarHBondContact O-N 3.12Å; V323-C326 PolarHBondContact O-N 3.01Å; V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.47Å; V323-A327 PolarHBondContact O-N 3.13Å; V323-V341 HydrophobicContact CG1-CG1 3.73Å; V323-A344 HydrophobicContact CG1-CB 4.45Å; V323-D345 HydrophobicContact CG1-CB 4.35Å; V323-I348 HydrophobicContact CG2-CD1 3.26Å; V323-I348 HydrophobicContact CG2-CG1 4.49Å; V323-F430 HydrophobicContact CG1-CZ 4.18Å; V323-L434 HydrophobicContact CG1-CD1 4.39Å; V323-L434 HydrophobicContact CG2-CD1 4.22Å; V323-L434 HydrophobicContact CG2-CD2 4.21Å |
| 324 | A | 90.8 | Very high | 85.7 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.4 | -48.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W308 D309 D320 S321 H322 A327 N328 | W308-A324 HydrophobicContact CB-CB 4.11Å; W308-A324 HydrophobicContact CG-CB 4.21Å; D309-A324 HydrophobicContact CB-CB 4.09Å; D320-A324 PolarHBondContact O-N 3.32Å; S321-A324 WeakPolarHBondContact O-CB 3.44Å; S321-A324 PolarHBondContact O-N 3Å; H322-A324 VanDerWaalsContact C-N 3.32Å; H322-A324 PolarHBondContact O-N 2.68Å; A324-A327 PolarHBondContact O-N 2.83Å; A324-N328 PolarHBondContact O-N 3.2Å |
| 325 | H | 92.3 | Very high | 87 | Confident | 124 Ų | 124 | 41.9 Ų | 41.9 | 57% | 0.574 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.6 | -47.8 | -179.8 | -178.7 | 76.5 | 0 | 0 | 0 | 112.2 | S321 H322 V323 A327 N328 T329 | S321-H325 WeakPolarHBondContact O-CB 3.38Å; S321-H325 PolarHBondContact O-N 3.28Å; H322-H325 PolarHBondContact O-N 3.4Å; V323-H325 PolarHBondContact O-N 3.12Å; H325-A327 VanDerWaalsContact C-N 3.33Å; H325-A327 PolarHBondContact O-N 2.85Å; H325-N328 PolarHBondContact O-N 3.15Å; H325-T329 PolarHBondContact O-N 3.06Å; H325-T329 VanDerWaalsContact O-N 3.15Å; H325-T329 PolarHBondContact O-OG1 3.34Å |
| 326 | C | 95.6 | Very high | 88.3 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 5% | 0.054 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.4 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | H322 V323 T329 Y330 F430 L434 | H322-C326 PolarHBondContact O-N 2.63Å; H322-C326 PolarHBondContact O-SG 3.08Å; V323-C326 PolarHBondContact O-N 3.01Å; C326-T329 PolarHBondContact O-N 3.41Å; C326-Y330 HydrophobicContact CB-CD2 4.32Å; C326-Y330 WeakPolarHBondContact O-CD2 3.08Å; C326-Y330 PolarHBondContact O-N 2.91Å; C326-F430 HydrophobicContact CB-CD2 3.89Å; C326-F430 HydrophobicContact CB-CE2 3.87Å; C326-L434 HydrophobicContact CB-CD2 3.93Å; C326-L434 HydrophobicContact CB-CG 4.15Å |
| 327 | A | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F303 V323 A324 H325 T329 Y330 L331 V341 F430 | F303-A327 HydrophobicContact CE2-CB 4.02Å; F303-A327 HydrophobicContact CZ-CB 4.2Å; V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.47Å; V323-A327 PolarHBondContact O-N 3.13Å; A324-A327 PolarHBondContact O-N 2.83Å; H325-A327 VanDerWaalsContact C-N 3.33Å; H325-A327 PolarHBondContact O-N 2.85Å; A327-T329 PolarHBondContact O-N 3.06Å; A327-Y330 PolarHBondContact O-N 3.27Å; A327-L331 HydrophobicContact CB-CD1 4.41Å; A327-L331 WeakPolarHBondContact O-CA 3.29Å; A327-L331 WeakPolarHBondContact O-CB 3.49Å; A327-L331 PolarHBondContact O-N 2.96Å; A327-V341 HydrophobicContact CB-CG1 4.08Å; A327-V341 HydrophobicContact CB-CG2 3.56Å; A327-F430 HydrophobicContact CB-CE2 3.89Å |
| 328 | N | 92.9 | Very high | 90.9 | Very high | 44 Ų | 44 | 40 Ų | 40 | 24% | 0.235 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -25.6 | 176.9 | -78.2 | -22.1 | 0 | 0 | 0 | 113.3 | K306 A324 H325 | K306-N328 PolarHBondContact O-ND2 2.92Å; A324-N328 PolarHBondContact O-N 3.2Å; H325-N328 PolarHBondContact O-N 3.15Å |
| 329 | T | 95.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -84.6 | -45.2 | -179.3 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | H325 C326 A327 | H325-T329 PolarHBondContact O-N 3.06Å; H325-T329 VanDerWaalsContact O-N 3.15Å; H325-T329 PolarHBondContact O-OG1 3.34Å; C326-T329 PolarHBondContact O-N 3.41Å; A327-T329 PolarHBondContact O-N 3.06Å |
| 330 | Y | 96.7 | Very high | 93.3 | Very high | 84 Ų | 84 | 37 Ų | 37 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -105.3 | -24.4 | -168.5 | -62.5 | -64.7 | 0 | 0 | 0 | 114.7 | C326 A327 R426 R429 F430 A433 | C326-Y330 HydrophobicContact CB-CD2 4.32Å; C326-Y330 WeakPolarHBondContact O-CD2 3.08Å; C326-Y330 PolarHBondContact O-N 2.91Å; A327-Y330 PolarHBondContact O-N 3.27Å; Y330-R426 WeakPolarHBondContact O-CB 3.18Å; Y330-R426 VanDerWaalsContact O-CD 3.25Å; Y330-R426 WeakPolarHBondContact O-CD 3.25Å; Y330-R426 WeakPolarHBondContact O-CG 3.3Å; Y330-R429 HydrophobicContact CD1-CB 3.92Å; Y330-R429 HydrophobicContact CE1-CB 4.31Å; Y330-R429 HydrophobicContact CG-CB 4.38Å; Y330-F430 HydrophobicContact CD2-CB 4.43Å; Y330-F430 HydrophobicContact CG-CB 4.46Å; Y330-A433 HydrophobicContact CD2-CB 4.15Å; Y330-A433 HydrophobicContact CE2-CB 3.43Å; Y330-A433 VanDerWaalsContact CE2-CB 3.43Å |
| 331 | L | 96.5 | Very high | 93.6 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | trans | -108.8 | 158.5 | -170.7 | -60.5 | -178.3 | 0 | 0 | 0 | 111.9 | F303 A327 E337 V340 V341 R426 I427 F430 | F303-L331 HydrophobicContact CE1-CB 4.36Å; F303-L331 HydrophobicContact CZ-CB 3.77Å; A327-L331 HydrophobicContact CB-CD1 4.41Å; A327-L331 WeakPolarHBondContact O-CA 3.29Å; A327-L331 WeakPolarHBondContact O-CB 3.49Å; A327-L331 PolarHBondContact O-N 2.96Å; L331-E337 VanDerWaalsContact CA-OE2 3.28Å; L331-E337 WeakPolarHBondContact CA-OE2 3.33Å; L331-E337 HydrophobicContact CB-CB 4.41Å; L331-E337 WeakPolarHBondContact CB-OE2 3.42Å; L331-E337 HydrophobicContact CD2-CG 4.5Å; L331-V340 HydrophobicContact CD1-CG1 4.33Å; L331-V341 HydrophobicContact CD1-CG2 3.69Å; L331-R426 HydrophobicContact CD2-CB 4.45Å; L331-I427 HydrophobicContact CD2-CG1 3.89Å; L331-F430 HydrophobicContact CD1-CB 4.38Å; L331-F430 HydrophobicContact CD1-CD1 3.9Å; L331-F430 HydrophobicContact CD1-CD2 3.96Å; L331-F430 HydrophobicContact CD1-CE1 4.09Å; L331-F430 HydrophobicContact CD1-CE2 4.17Å; L331-F430 HydrophobicContact CD1-CG 3.81Å; L331-F430 HydrophobicContact CD1-CZ 4.22Å; L331-F430 HydrophobicContact CD2-CB 3.92Å; L331-F430 HydrophobicContact CD2-CG 4.25Å; L331-F430 HydrophobicContact CG-CB 4.05Å; L331-F430 HydrophobicContact CG-CD1 4.48Å; L331-F430 HydrophobicContact CG-CD2 4.15Å; L331-F430 HydrophobicContact CG-CG 3.98Å | ||
| 332 | K | 95.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 31.5 Ų | 31.5 | 39% | 0.391 | 16% | 0.159 | S | C | . | . | trans | -99.4 | 144.7 | 170.6 | -64.9 | -175.4 | -172.2 | 173.3 | 0 | 108.5 | T334 E337 E422 | K332-T334 HydrophobicContact CB-CG2 4.3Å; K332-T334 PolarHBondContact O-N 3.45Å; K332-E337 PolarHBondContact N-OE2 2.96Å; K332-E337 VanDerWaalsContact O-CB 3.28Å; K332-E337 WeakPolarHBondContact O-CB 3.38Å; K332-E422 IonicContact NZ-OE1 2.84Å; K332-E422 PolarHBondContact NZ-OE1 3.28Å; K332-E422 IonicContact NZ-OE2 3.96Å | ||
| 333 | P | 91.7 | Very high | 93.9 | Very high | 44 Ų | 44 | 27.4 Ų | 27.4 | 29% | 0.286 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -75.6 | 53.5 | -177.1 | 32.9 | -38.2 | 0 | 0 | 0 | 113.5 | Q300 F303 Y304 | Q300-P333 PolarHBondContact NE2-O 3.28Å; F303-P333 HydrophobicContact CB-CB 4.44Å; F303-P333 HydrophobicContact CD1-CB 3.96Å; F303-P333 HydrophobicContact CE1-CB 4.27Å; F303-P333 HydrophobicContact CG-CB 4.09Å; Y304-P333 HydrophobicContact CD2-CB 4.14Å; Y304-P333 HydrophobicContact CD2-CG 3.64Å; Y304-P333 HydrophobicContact CE2-CG 4.39Å; Y304-P333 HydrophobicContact CG-CG 4.39Å |
| 334 | T | 93.3 | Very high | 94 | Very high | 48 Ų | 48 | 27.4 Ų | 27.4 | 29% | 0.294 | 14% | 0.139 | S | C | . | . | trans | -86.6 | 159.2 | 170.4 | 69.9 | 0 | 0 | 0 | 0 | 109.9 | Q300 K332 F336 E337 T338 | Q300-T334 VanDerWaalsContact NE2-C 3.34Å; K332-T334 HydrophobicContact CB-CG2 4.3Å; K332-T334 PolarHBondContact O-N 3.45Å; T334-F336 VanDerWaalsContact C-N 3.33Å; T334-F336 PolarHBondContact O-N 2.92Å; T334-E337 PolarHBondContact O-N 3.45Å; T334-E337 WeakPolarHBondContact OG1-CB 3.44Å; T334-E337 WeakPolarHBondContact OG1-CG 3.48Å; T334-E337 PolarHBondContact OG1-N 3.07Å; T334-T338 WeakPolarHBondContact O-CB 3.3Å; T334-T338 PolarHBondContact O-N 3.12Å; T334-T338 PolarHBondContact O-OG1 3.15Å | ||
| 335 | M | 91.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 178.7 | -176.2 | 58.1 | 67 | 0 | 0 | 111.9 | D287 A291 F296 K297 Q300 E337 T338 C339 | D287-M335 VanDerWaalsContact OD1-CG 3.28Å; D287-M335 WeakPolarHBondContact OD1-CG 3.4Å; A291-M335 HydrophobicContact CB-CG 3.81Å; F296-M335 HydrophobicContact CB-CE 4.22Å; F296-M335 HydrophobicContact CB-SD 4.25Å; K297-M335 HydrophobicContact CG-CE 4.09Å; Q300-M335 HydrophobicContact CB-CE 4.06Å; Q300-M335 VanDerWaalsContact NE2-N 3.17Å; M335-E337 PolarHBondContact O-N 3.32Å; M335-T338 VanDerWaalsContact O-CB 3.3Å; M335-T338 WeakPolarHBondContact O-CB 3.4Å; M335-T338 PolarHBondContact O-N 3.45Å; M335-C339 PolarHBondContact O-N 3.31Å; M335-C339 PolarHBondContact O-SG 2.98Å |
| 336 | F | 94.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.022 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 176.8 | 179.3 | -98.7 | 0 | 0 | 0 | 111.7 | L280 V283 L284 D287 T334 T338 C339 V340 T417 I419 I427 | L280-F336 HydrophobicContact CD1-CZ 4.46Å; V283-F336 HydrophobicContact CG1-CD2 3.99Å; V283-F336 HydrophobicContact CG1-CE2 3.51Å; V283-F336 HydrophobicContact CG1-CZ 3.81Å; L284-F336 HydrophobicContact CD2-CD2 4.27Å; L284-F336 HydrophobicContact CD2-CE2 3.58Å; L284-F336 HydrophobicContact CD2-CZ 4.43Å; L284-F336 HydrophobicContact CG-CE2 4.11Å; D287-F336 HydrophobicContact CB-CD2 4.1Å; D287-F336 PolarHBondContact OD1-N 3.43Å; T334-F336 VanDerWaalsContact C-N 3.33Å; T334-F336 PolarHBondContact O-N 2.92Å; F336-T338 VanDerWaalsContact C-N 3.31Å; F336-T338 PolarHBondContact O-N 3.31Å; F336-C339 WeakPolarHBondContact O-CA 3.17Å; F336-C339 WeakPolarHBondContact O-CB 3.27Å; F336-C339 PolarHBondContact O-N 3.25Å; F336-C339 VanDerWaalsContact O-N 3.08Å; F336-V340 HydrophobicContact CD1-CG2 4.45Å; F336-V340 HydrophobicContact CE1-CG2 4.13Å; F336-V340 PolarHBondContact O-N 3.32Å; F336-T417 HydrophobicContact CB-CG2 4.01Å; F336-T417 HydrophobicContact CD2-CG2 4.01Å; F336-T417 HydrophobicContact CG-CG2 3.93Å; F336-I419 HydrophobicContact CE1-CD1 4.06Å; F336-I419 HydrophobicContact CE1-CG1 3.98Å; F336-I419 HydrophobicContact CE2-CD1 4.22Å; F336-I419 HydrophobicContact CE2-CG1 4.34Å; F336-I419 HydrophobicContact CZ-CD1 3.46Å; F336-I419 VanDerWaalsContact CZ-CD1 3.46Å; F336-I419 HydrophobicContact CZ-CG1 3.72Å; F336-I427 HydrophobicContact CD1-CD1 4.26Å; F336-I427 HydrophobicContact CE1-CD1 3.57Å |
| 337 | E | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.5 | -28.9 | 178.6 | -68.2 | -179.3 | -141.2 | 0 | 0 | 111.7 | L331 K332 T334 M335 C339 V340 V341 R426 I427 | L331-E337 VanDerWaalsContact CA-OE2 3.28Å; L331-E337 WeakPolarHBondContact CA-OE2 3.33Å; L331-E337 HydrophobicContact CB-CB 4.41Å; L331-E337 WeakPolarHBondContact CB-OE2 3.42Å; L331-E337 HydrophobicContact CD2-CG 4.5Å; K332-E337 PolarHBondContact N-OE2 2.96Å; K332-E337 VanDerWaalsContact O-CB 3.28Å; K332-E337 WeakPolarHBondContact O-CB 3.38Å; T334-E337 PolarHBondContact O-N 3.45Å; T334-E337 WeakPolarHBondContact OG1-CB 3.44Å; T334-E337 WeakPolarHBondContact OG1-CG 3.48Å; T334-E337 PolarHBondContact OG1-N 3.07Å; M335-E337 PolarHBondContact O-N 3.32Å; E337-C339 VanDerWaalsContact C-N 3.3Å; E337-C339 PolarHBondContact O-N 3.3Å; E337-V340 VanDerWaalsContact O-CB 3.31Å; E337-V340 WeakPolarHBondContact O-CB 3.01Å; E337-V340 PolarHBondContact O-N 3.44Å; E337-V340 VanDerWaalsContact O-N 3.12Å; E337-V341 WeakPolarHBondContact O-CG2 3.49Å; E337-V341 PolarHBondContact O-N 3.46Å; E337-R426 IonicContact OE1-CZ 3.78Å; E337-R426 IonicContact OE1-NE 2.58Å; E337-R426 IonicContact OE1-NH2 3.6Å; E337-R426 PolarHBondContact OE1-NH2 3.28Å; E337-R426 IonicContact OE2-NE 2.75Å; E337-R426 IonicContact OE2-NH2 2.8Å; E337-I427 HydrophobicContact CG-CD1 4.43Å |
| 338 | T | 93.1 | Very high | 94 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 167.9 | -55.1 | 0 | 0 | 0 | 0 | 111 | V299 Q300 W308 T334 M335 F336 V340 V341 I342 | V299-T338 HydrophobicContact CG1-CG2 3.99Å; Q300-T338 HydrophobicContact CB-CG2 4.41Å; W308-T338 HydrophobicContact CH2-CG2 3.79Å; W308-T338 HydrophobicContact CZ3-CG2 3.8Å; T334-T338 WeakPolarHBondContact O-CB 3.3Å; T334-T338 PolarHBondContact O-N 3.12Å; T334-T338 PolarHBondContact O-OG1 3.15Å; M335-T338 VanDerWaalsContact O-CB 3.3Å; M335-T338 WeakPolarHBondContact O-CB 3.4Å; M335-T338 PolarHBondContact O-N 3.45Å; F336-T338 VanDerWaalsContact C-N 3.31Å; F336-T338 PolarHBondContact O-N 3.31Å; T338-V340 VanDerWaalsContact C-N 3.29Å; T338-V340 PolarHBondContact O-N 3.06Å; T338-V341 PolarHBondContact O-N 3.41Å; T338-I342 HydrophobicContact CG2-CD1 4.44Å; T338-I342 WeakPolarHBondContact O-CG1 3.23Å; T338-I342 PolarHBondContact O-N 3.29Å |
| 339 | C | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.6 | -30.5 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | V283 H286 M335 F336 E337 I342 W343 | V283-C339 HydrophobicContact CG1-CB 3.89Å; H286-C339 HydrophobicContact CB-CB 4.05Å; M335-C339 PolarHBondContact O-N 3.31Å; M335-C339 PolarHBondContact O-SG 2.98Å; F336-C339 WeakPolarHBondContact O-CA 3.17Å; F336-C339 WeakPolarHBondContact O-CB 3.27Å; F336-C339 PolarHBondContact O-N 3.25Å; F336-C339 VanDerWaalsContact O-N 3.08Å; E337-C339 VanDerWaalsContact C-N 3.3Å; E337-C339 PolarHBondContact O-N 3.3Å; C339-I342 PolarHBondContact O-N 3.33Å; C339-W343 PolarHBondContact O-N 3.14Å |
| 340 | V | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | V283 L331 F336 E337 T338 I342 W343 A344 I427 F430 L439 | V283-V340 HydrophobicContact CG1-CG2 3.76Å; V283-V340 HydrophobicContact CG2-CG2 4.5Å; L331-V340 HydrophobicContact CD1-CG1 4.33Å; F336-V340 HydrophobicContact CD1-CG2 4.45Å; F336-V340 HydrophobicContact CE1-CG2 4.13Å; F336-V340 PolarHBondContact O-N 3.32Å; E337-V340 VanDerWaalsContact O-CB 3.31Å; E337-V340 WeakPolarHBondContact O-CB 3.01Å; E337-V340 PolarHBondContact O-N 3.44Å; E337-V340 VanDerWaalsContact O-N 3.12Å; T338-V340 VanDerWaalsContact C-N 3.29Å; T338-V340 PolarHBondContact O-N 3.06Å; V340-I342 VanDerWaalsContact C-N 3.34Å; V340-I342 PolarHBondContact O-N 2.81Å; V340-W343 WeakPolarHBondContact O-CB 3.43Å; V340-W343 PolarHBondContact O-N 2.95Å; V340-A344 PolarHBondContact O-N 2.77Å; V340-I427 HydrophobicContact CG1-CG2 4.17Å; V340-I427 HydrophobicContact CG2-CD1 4.14Å; V340-I427 HydrophobicContact CG2-CG1 4.37Å; V340-F430 HydrophobicContact CG1-CD1 3.94Å; V340-F430 HydrophobicContact CG1-CE1 3.86Å; V340-L439 HydrophobicContact CB-CD2 4.45Å; V340-L439 HydrophobicContact CG1-CD1 4.16Å; V340-L439 HydrophobicContact CG1-CD2 4.09Å; V340-L439 HydrophobicContact CG2-CD2 3.82Å |
| 341 | V | 93.7 | Very high | 94 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.7 | -171.6 | 0 | 0 | 0 | 0 | 111 | F303 W308 V323 A327 L331 E337 T338 W343 A344 D345 F430 | F303-V341 HydrophobicContact CE1-CG2 4.23Å; F303-V341 HydrophobicContact CZ-CG2 4.45Å; W308-V341 HydrophobicContact CD2-CG1 4.26Å; W308-V341 HydrophobicContact CH2-CB 4.17Å; W308-V341 HydrophobicContact CH2-CG1 4.16Å; W308-V341 HydrophobicContact CZ2-CB 3.73Å; W308-V341 HydrophobicContact CZ2-CG1 3.27Å; V323-V341 HydrophobicContact CG1-CG1 3.73Å; A327-V341 HydrophobicContact CB-CG1 4.08Å; A327-V341 HydrophobicContact CB-CG2 3.56Å; L331-V341 HydrophobicContact CD1-CG2 3.69Å; E337-V341 WeakPolarHBondContact O-CG2 3.49Å; E337-V341 PolarHBondContact O-N 3.46Å; T338-V341 PolarHBondContact O-N 3.41Å; V341-W343 VanDerWaalsContact C-N 3.34Å; V341-W343 PolarHBondContact O-N 3.16Å; V341-A344 PolarHBondContact O-N 2.72Å; V341-D345 VanDerWaalsContact O-CB 3.29Å; V341-D345 WeakPolarHBondContact O-CB 3.46Å; V341-D345 PolarHBondContact O-N 2.98Å; V341-F430 HydrophobicContact CG2-CZ 4.47Å |
| 342 | I | 92.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.1 | -66 | 173.4 | 0 | 0 | 0 | 111.7 | F254 F296 W308 T338 C339 V340 N346 | F254-I342 HydrophobicContact CD2-CG2 4.42Å; F254-I342 HydrophobicContact CE2-CG2 3.76Å; F296-I342 HydrophobicContact CD1-CD1 3.87Å; F296-I342 HydrophobicContact CE1-CD1 3.57Å; W308-I342 HydrophobicContact CH2-CG1 4.16Å; W308-I342 HydrophobicContact CZ2-CG1 4.41Å; T338-I342 HydrophobicContact CG2-CD1 4.44Å; T338-I342 WeakPolarHBondContact O-CG1 3.23Å; T338-I342 PolarHBondContact O-N 3.29Å; C339-I342 PolarHBondContact O-N 3.33Å; V340-I342 VanDerWaalsContact C-N 3.34Å; V340-I342 PolarHBondContact O-N 2.81Å; I342-N346 PolarHBondContact O-N 3.32Å; I342-N346 PolarHBondContact O-ND2 2.84Å |
| 343 | W | 94.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 14.4 Ų | 14.4 | 5% | 0.045 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.1 | -48.6 | 175.3 | 165.8 | 77.8 | 0 | 0 | 0 | 111.9 | P279 M282 V283 C339 V340 V341 N346 L347 L436 P437 L439 | P279-W343 HydrophobicContact CB-CD2 4.4Å; P279-W343 HydrophobicContact CB-CZ2 3.64Å; P279-W343 HydrophobicContact CG-CZ2 3.7Å; M282-W343 HydrophobicContact CE-CB 3.47Å; M282-W343 VanDerWaalsContact CE-CB 3.47Å; M282-W343 HydrophobicContact CE-CG 4.02Å; M282-W343 HydrophobicContact SD-CB 3.96Å; M282-W343 HydrophobicContact SD-CG 4.36Å; V283-W343 HydrophobicContact CG2-CB 3.71Å; V283-W343 HydrophobicContact CG2-CG 4.08Å; C339-W343 PolarHBondContact O-N 3.14Å; V340-W343 WeakPolarHBondContact O-CB 3.43Å; V340-W343 PolarHBondContact O-N 2.95Å; V341-W343 VanDerWaalsContact C-N 3.34Å; V341-W343 PolarHBondContact O-N 3.16Å; W343-N346 PolarHBondContact O-N 3.39Å; W343-L347 HydrophobicContact CH2-CD2 3.97Å; W343-L347 HydrophobicContact CZ2-CD2 3.43Å; W343-L347 VanDerWaalsContact CZ2-CD2 3.43Å; W343-L347 WeakPolarHBondContact O-CB 3.49Å; W343-L347 PolarHBondContact O-N 2.99Å; W343-L436 HydrophobicContact CH2-CB 4.06Å; W343-L436 HydrophobicContact CH2-CD1 4.14Å; W343-L436 HydrophobicContact CZ3-CB 4.47Å; W343-L436 HydrophobicContact CZ3-CD1 3.96Å; W343-P437 WeakPolarHBondContact CH2-O 3.48Å; W343-L439 HydrophobicContact CD2-CD1 4.35Å; W343-L439 HydrophobicContact CE3-CD1 3.58Å; W343-L439 HydrophobicContact CE3-CD2 4.43Å; W343-L439 HydrophobicContact CE3-CG 4.2Å; W343-L439 HydrophobicContact CH2-CD1 3.57Å; W343-L439 HydrophobicContact CH2-CG 4.3Å; W343-L439 HydrophobicContact CZ2-CD1 4.34Å; W343-L439 HydrophobicContact CZ3-CD1 3.16Å; W343-L439 HydrophobicContact CZ3-CG 4.11Å |
| 344 | A | 95 | Very high | 94 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V323 V340 V341 L347 I348 F430 L434 L436 | V323-A344 HydrophobicContact CG1-CB 4.45Å; V340-A344 PolarHBondContact O-N 2.77Å; V341-A344 PolarHBondContact O-N 2.72Å; A344-L347 PolarHBondContact O-N 3.1Å; A344-I348 WeakPolarHBondContact O-CB 3.48Å; A344-I348 WeakPolarHBondContact O-CG1 3.28Å; A344-I348 PolarHBondContact O-N 3.39Å; A344-F430 HydrophobicContact CB-CE1 3.65Å; A344-F430 HydrophobicContact CB-CZ 3.79Å; A344-L434 HydrophobicContact CB-CD1 4.02Å; A344-L436 HydrophobicContact CB-CD1 3.64Å |
| 345 | D | 92 | Very high | 94 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.7 | -174.7 | 47.3 | 0 | 0 | 0 | 111.3 | R319 D320 V323 V341 L347 I348 N349 | R319-D345 WeakPolarHBondContact CD-OD2 3.17Å; R319-D345 IonicContact CZ-OD2 2.78Å; R319-D345 IonicContact NE-OD2 2.82Å; R319-D345 IonicContact NH1-OD2 3.63Å; R319-D345 PolarHBondContact NH1-OD2 3.15Å; D320-D345 PolarHBondContact N-OD1 2.98Å; V323-D345 HydrophobicContact CG1-CB 4.35Å; V341-D345 VanDerWaalsContact O-CB 3.29Å; V341-D345 WeakPolarHBondContact O-CB 3.46Å; V341-D345 PolarHBondContact O-N 2.98Å; D345-L347 VanDerWaalsContact C-N 3.31Å; D345-L347 PolarHBondContact O-N 3.28Å; D345-I348 PolarHBondContact O-N 3.21Å; D345-N349 WeakPolarHBondContact O-CB 3.28Å; D345-N349 PolarHBondContact O-N 3.16Å; D345-N349 PolarHBondContact O-ND2 3.24Å; D345-N349 PolarHBondContact OD1-ND2 3.18Å |
| 346 | N | 92.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.1 | -74.7 | -22.2 | 0 | 0 | 0 | 111.5 | S182 L257 I342 W343 N349 Y350 | S182-N346 PolarHBondContact O-ND2 3.03Å; L257-N346 HydrophobicContact CD2-CB 3.97Å; L257-N346 WeakPolarHBondContact CD2-O 3.49Å; I342-N346 PolarHBondContact O-N 3.32Å; I342-N346 PolarHBondContact O-ND2 2.84Å; W343-N346 PolarHBondContact O-N 3.39Å; N346-N349 PolarHBondContact O-N 3.12Å; N346-Y350 WeakPolarHBondContact O-CB 3.48Å; N346-Y350 PolarHBondContact O-N 2.99Å |
| 347 | L | 94.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.3 | -43.2 | -176.8 | 177.1 | 54.4 | 0 | 0 | 0 | 112.1 | W343 A344 D345 Y350 L351 L436 L461 | W343-L347 HydrophobicContact CH2-CD2 3.97Å; W343-L347 HydrophobicContact CZ2-CD2 3.43Å; W343-L347 VanDerWaalsContact CZ2-CD2 3.43Å; W343-L347 WeakPolarHBondContact O-CB 3.49Å; W343-L347 PolarHBondContact O-N 2.99Å; A344-L347 PolarHBondContact O-N 3.1Å; D345-L347 VanDerWaalsContact C-N 3.31Å; D345-L347 PolarHBondContact O-N 3.28Å; L347-Y350 HydrophobicContact CD1-CD1 4.14Å; L347-Y350 WeakPolarHBondContact O-CB 3.4Å; L347-Y350 PolarHBondContact O-N 3.47Å; L347-L351 HydrophobicContact CD1-CD1 4.17Å; L347-L351 HydrophobicContact CD1-CD2 4.42Å; L347-L351 HydrophobicContact CD1-CG 3.97Å; L347-L351 HydrophobicContact CG-CD1 4.14Å; L347-L351 HydrophobicContact CG-CG 4.4Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.03Å; L347-L436 HydrophobicContact CD2-CD1 4.44Å; L347-L436 HydrophobicContact CD2-CD2 3.84Å; L347-L436 HydrophobicContact CG-CD2 4Å; L347-L461 HydrophobicContact CD1-CD1 3.27Å; L347-L461 HydrophobicContact CD1-CD2 4.31Å; L347-L461 HydrophobicContact CD1-CG 4.43Å; L347-L461 HydrophobicContact CD2-CD1 4.42Å; L347-L461 HydrophobicContact CG-CD1 4.42Å |
| 348 | I | 94.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 31 Ų | 31 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.3 | -76 | 164.7 | 0 | 0 | 0 | 110.9 | V323 A344 D345 Y350 L351 R352 L434 L436 | V323-I348 HydrophobicContact CG2-CD1 3.26Å; V323-I348 HydrophobicContact CG2-CG1 4.49Å; A344-I348 WeakPolarHBondContact O-CB 3.48Å; A344-I348 WeakPolarHBondContact O-CG1 3.28Å; A344-I348 PolarHBondContact O-N 3.39Å; D345-I348 PolarHBondContact O-N 3.21Å; I348-Y350 VanDerWaalsContact C-N 3.3Å; I348-Y350 PolarHBondContact O-N 2.93Å; I348-L351 PolarHBondContact O-N 2.91Å; I348-R352 WeakPolarHBondContact O-CB 3.47Å; I348-R352 PolarHBondContact O-N 3.39Å; I348-L434 HydrophobicContact CD1-CB 4.24Å; I348-L434 HydrophobicContact CD1-CD1 4Å; I348-L434 HydrophobicContact CD1-CD2 4.08Å; I348-L434 HydrophobicContact CD1-CG 4.35Å; I348-L436 HydrophobicContact CD1-CD1 4.02Å; I348-L436 HydrophobicContact CD1-CG 4.47Å; I348-L436 HydrophobicContact CG1-CD1 4.12Å; I348-L436 HydrophobicContact CG1-CD2 3.97Å; I348-L436 HydrophobicContact CG1-CG 4.38Å |
| 349 | N | 92.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 176.2 | -74.1 | -62.5 | 0 | 0 | 0 | 111.7 | N258 D345 N346 R352 Q353 | N258-N349 VanDerWaalsContact OD1-CB 3.27Å; N258-N349 WeakPolarHBondContact OD1-CB 3.48Å; N258-N349 PolarHBondContact OD1-ND2 3.46Å; D345-N349 WeakPolarHBondContact O-CB 3.28Å; D345-N349 PolarHBondContact O-N 3.16Å; D345-N349 PolarHBondContact O-ND2 3.24Å; D345-N349 PolarHBondContact OD1-ND2 3.18Å; N346-N349 PolarHBondContact O-N 3.12Å; N349-R352 VanDerWaalsContact OD1-CZ 3.31Å; N349-R352 PolarHBondContact OD1-NH1 3.15Å; N349-R352 PolarHBondContact OD1-NH2 3.45Å; N349-Q353 WeakPolarHBondContact O-CB 3.38Å; N349-Q353 VanDerWaalsContact O-CG 3.31Å; N349-Q353 WeakPolarHBondContact O-CG 3.38Å; N349-Q353 PolarHBondContact O-N 3.4Å; N349-Q353 PolarHBondContact O-NE2 3.13Å |
| 350 | Y | 95.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -53.3 | 171.1 | 167.6 | -108.6 | 0 | 0 | 0 | 111.7 | F274 N346 L347 I348 R352 Q353 A354 F359 A361 P457 | F274-Y350 HydrophobicContact CB-CD2 3.46Å; F274-Y350 VanDerWaalsContact CB-CD2 3.46Å; F274-Y350 HydrophobicContact CB-CE2 3.44Å; F274-Y350 VanDerWaalsContact CB-CE2 3.44Å; F274-Y350 HydrophobicContact CB-CG 4.33Å; F274-Y350 AromaticContact CD1-CD1 3.64Å; F274-Y350 HydrophobicContact CD1-CD1 3.64Å; F274-Y350 AromaticContact CD1-CD2 3.41Å; F274-Y350 HydrophobicContact CD1-CD2 3.41Å; F274-Y350 VanDerWaalsContact CD1-CD2 3.41Å; F274-Y350 AromaticContact CD1-CE1 3.91Å; F274-Y350 HydrophobicContact CD1-CE1 3.91Å; F274-Y350 AromaticContact CD1-CE2 3.72Å; F274-Y350 HydrophobicContact CD1-CE2 3.72Å; F274-Y350 AromaticContact CD1-CG 3.38Å; F274-Y350 HydrophobicContact CD1-CG 3.38Å; F274-Y350 AromaticContact CD1-CZ 3.98Å; F274-Y350 HydrophobicContact CD2-CD2 4.25Å; F274-Y350 HydrophobicContact CD2-CG 4.49Å; F274-Y350 AromaticContact CE1-CD1 3.81Å; F274-Y350 HydrophobicContact CE1-CD1 3.81Å; F274-Y350 HydrophobicContact CE1-CD2 4.18Å; F274-Y350 HydrophobicContact CE1-CE1 4.41Å; F274-Y350 AromaticContact CE1-CG 3.69Å; F274-Y350 HydrophobicContact CE1-CG 3.69Å; F274-Y350 HydrophobicContact CG-CD1 4.49Å; F274-Y350 AromaticContact CG-CD2 3.44Å; F274-Y350 HydrophobicContact CG-CD2 3.44Å; F274-Y350 VanDerWaalsContact CG-CD2 3.44Å; F274-Y350 AromaticContact CG-CE2 3.84Å; F274-Y350 HydrophobicContact CG-CE2 3.84Å; F274-Y350 AromaticContact CG-CG 3.83Å; F274-Y350 HydrophobicContact CG-CG 3.83Å; F274-Y350 HydrophobicContact CZ-CG 4.37Å; N346-Y350 WeakPolarHBondContact O-CB 3.48Å; N346-Y350 PolarHBondContact O-N 2.99Å; L347-Y350 HydrophobicContact CD1-CD1 4.14Å; L347-Y350 WeakPolarHBondContact O-CB 3.4Å; L347-Y350 PolarHBondContact O-N 3.47Å; I348-Y350 VanDerWaalsContact C-N 3.3Å; I348-Y350 PolarHBondContact O-N 2.93Å; Y350-R352 VanDerWaalsContact C-N 3.27Å; Y350-R352 PolarHBondContact O-N 2.69Å; Y350-Q353 PolarHBondContact O-N 3.18Å; Y350-A354 HydrophobicContact CD2-CB 4.45Å; Y350-A354 HydrophobicContact CE1-CB 4.43Å; Y350-A354 HydrophobicContact CE2-CB 3.92Å; Y350-A354 VanDerWaalsContact O-CB 3.3Å; Y350-A354 WeakPolarHBondContact O-CB 3.49Å; Y350-A354 PolarHBondContact O-N 3.35Å; Y350-F359 AromaticContact CD2-CD1 3.83Å; Y350-F359 HydrophobicContact CD2-CD1 3.83Å; Y350-F359 AromaticContact CD2-CE1 3.81Å; Y350-F359 HydrophobicContact CD2-CE1 3.81Å; Y350-F359 HydrophobicContact CD2-CG 4.38Å; Y350-F359 HydrophobicContact CD2-CZ 4.33Å; Y350-F359 HydrophobicContact CE2-CB 4.5Å; Y350-F359 AromaticContact CE2-CD1 3.92Å; Y350-F359 HydrophobicContact CE2-CD1 3.92Å; Y350-F359 HydrophobicContact CE2-CD2 4.46Å; Y350-F359 HydrophobicContact CE2-CE1 4.27Å; Y350-F359 HydrophobicContact CE2-CG 4.03Å; Y350-F359 VanDerWaalsContact CE2-O 3.27Å; Y350-F359 WeakPolarHBondContact CE2-O 3.34Å; Y350-F359 PolarHBondContact OH-O 3.49Å; Y350-A361 HydrophobicContact CE1-CB 4.11Å; Y350-A361 HydrophobicContact CE2-CB 4.42Å; Y350-A361 WeakPolarHBondContact OH-CB 3.34Å; Y350-A361 PolarHBondContact OH-N 2.94Å; Y350-P457 HydrophobicContact CE1-CB 4.38Å |
| 351 | L | 95 | Very high | 94.5 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | -177 | -70.5 | 173.8 | 0 | 0 | 0 | 111.8 | L347 I348 N355 L436 P457 I458 L461 | L347-L351 HydrophobicContact CD1-CD1 4.17Å; L347-L351 HydrophobicContact CD1-CD2 4.42Å; L347-L351 HydrophobicContact CD1-CG 3.97Å; L347-L351 HydrophobicContact CG-CD1 4.14Å; L347-L351 HydrophobicContact CG-CG 4.4Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.03Å; I348-L351 PolarHBondContact O-N 2.91Å; L351-N355 PolarHBondContact O-ND2 3.1Å; L351-L436 HydrophobicContact CD1-CD2 3.86Å; L351-P457 HydrophobicContact CD2-CB 3.58Å; L351-I458 HydrophobicContact CD1-CG1 4.12Å; L351-I458 HydrophobicContact CD2-CG1 3.86Å; L351-L461 HydrophobicContact CD2-CD1 3.97Å |
| 352 | R | 94.3 | Very high | 94.7 | Very high | 104 Ų | 104 | 34.4 Ų | 34.4 | 39% | 0.392 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.3 | -53.2 | 175.4 | -162.8 | -168.3 | -44.8 | 132.7 | 5.7 | 111 | D320 I348 N349 Y350 A354 N355 | D320-R352 IonicContact OD2-NH2 2.69Å; D320-R352 PolarHBondContact OD2-NH2 2.95Å; I348-R352 WeakPolarHBondContact O-CB 3.47Å; I348-R352 PolarHBondContact O-N 3.39Å; N349-R352 VanDerWaalsContact OD1-CZ 3.31Å; N349-R352 PolarHBondContact OD1-NH1 3.15Å; N349-R352 PolarHBondContact OD1-NH2 3.45Å; Y350-R352 VanDerWaalsContact C-N 3.27Å; Y350-R352 PolarHBondContact O-N 2.69Å; R352-A354 PolarHBondContact O-N 2.82Å; R352-N355 WeakPolarHBondContact O-CB 3.49Å; R352-N355 PolarHBondContact O-N 2.88Å |
| 353 | Q | 95.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.6 | -28.4 | -175.3 | -70.9 | 175.2 | 93.3 | 0 | 0 | 113.4 | L257 A260 E261 N349 Y350 N355 E356 F357 F359 | L257-Q353 PolarHBondContact O-NE2 3.23Å; L257-Q353 PolarHBondContact O-OE1 3.03Å; A260-Q353 VanDerWaalsContact CB-OE1 3.28Å; A260-Q353 VanDerWaalsContact N-OE1 3.08Å; E261-Q353 HydrophobicContact CB-CG 4.2Å; N349-Q353 WeakPolarHBondContact O-CB 3.38Å; N349-Q353 VanDerWaalsContact O-CG 3.31Å; N349-Q353 WeakPolarHBondContact O-CG 3.38Å; N349-Q353 PolarHBondContact O-N 3.4Å; N349-Q353 PolarHBondContact O-NE2 3.13Å; Y350-Q353 PolarHBondContact O-N 3.18Å; Q353-N355 PolarHBondContact O-N 3.23Å; Q353-E356 PolarHBondContact O-N 2.91Å; Q353-F357 HydrophobicContact CB-CE1 4.06Å; Q353-F357 WeakPolarHBondContact O-CD1 3.3Å; Q353-F357 PolarHBondContact O-N 3.34Å; Q353-F359 HydrophobicContact CB-CD1 4.16Å; Q353-F359 HydrophobicContact CB-CE1 4.4Å |
| 354 | A | 94.7 | Very high | 94.9 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y350 R352 F359 P457 | Y350-A354 HydrophobicContact CD2-CB 4.45Å; Y350-A354 HydrophobicContact CE1-CB 4.43Å; Y350-A354 HydrophobicContact CE2-CB 3.92Å; Y350-A354 VanDerWaalsContact O-CB 3.3Å; Y350-A354 WeakPolarHBondContact O-CB 3.49Å; Y350-A354 PolarHBondContact O-N 3.35Å; R352-A354 PolarHBondContact O-N 2.82Å; A354-F359 HydrophobicContact CB-CB 4.36Å; A354-P457 HydrophobicContact CB-CB 4.43Å; A354-P457 HydrophobicContact CB-CG 4.2Å |
| 355 | N | 93.1 | Very high | 94.8 | Very high | 119 Ų | 119 | 37 Ų | 37 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -18.8 | 170 | -62.6 | -33.6 | 0 | 0 | 0 | 112.8 | L351 R352 Q353 | L351-N355 PolarHBondContact O-ND2 3.1Å; R352-N355 WeakPolarHBondContact O-CB 3.49Å; R352-N355 PolarHBondContact O-N 2.88Å; Q353-N355 PolarHBondContact O-N 3.23Å |
| 356 | E | 93.1 | Very high | 94.8 | Very high | 123 Ų | 123 | 41.3 Ų | 41.3 | 58% | 0.575 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -31.7 | -176.3 | -58.1 | -56.2 | 148.6 | 0 | 0 | 112.6 | E261 Q353 | E261-E356 HydrophobicContact CG-CB 4.46Å; Q353-E356 PolarHBondContact O-N 2.91Å |
| 357 | F | 95.1 | Very high | 94.8 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -153.5 | 167.9 | 178 | 68.5 | -81.5 | 0 | 0 | 0 | 112.1 | A260 E261 H264 C272 Q353 F359 | A260-F357 HydrophobicContact CB-CZ 4.04Å; E261-F357 HydrophobicContact CB-CE1 4.12Å; H264-F357 HydrophobicContact CB-CD1 4.39Å; H264-F357 HydrophobicContact CB-CD2 4Å; H264-F357 HydrophobicContact CB-CE1 4.32Å; H264-F357 HydrophobicContact CB-CE2 3.91Å; H264-F357 HydrophobicContact CB-CG 4.25Å; H264-F357 HydrophobicContact CB-CZ 4.09Å; H264-F357 VanDerWaalsContact CD2-CB 3.42Å; H264-F357 WeakPolarHBondContact CD2-CB 2.96Å; H264-F357 AromaticContact CD2-CD2 3.65Å; H264-F357 AromaticContact CD2-CG 3.47Å; H264-F357 VanDerWaalsContact CD2-CG 3.47Å; H264-F357 WeakPolarHBondContact CD2-CG 3.47Å; H264-F357 AromaticContact CG-CD2 3.53Å; H264-F357 AromaticContact CG-CE2 3.93Å; H264-F357 AromaticContact CG-CG 3.79Å; H264-F357 AromaticContact ND1-CD2 3.85Å; C272-F357 HydrophobicContact CB-CE2 3.8Å; Q353-F357 HydrophobicContact CB-CE1 4.06Å; Q353-F357 WeakPolarHBondContact O-CD1 3.3Å; Q353-F357 PolarHBondContact O-N 3.34Å; F357-F359 HydrophobicContact CD2-CB 4.09Å; F357-F359 HydrophobicContact CE1-CD1 4.21Å; F357-F359 HydrophobicContact CE2-CB 3.68Å; F357-F359 HydrophobicContact CE2-CD1 4.19Å; F357-F359 HydrophobicContact CE2-CD2 4.24Å; F357-F359 AromaticContact CE2-CG 3.81Å; F357-F359 HydrophobicContact CE2-CG 3.81Å; F357-F359 HydrophobicContact CZ-CB 3.94Å; F357-F359 AromaticContact CZ-CD1 3.63Å; F357-F359 HydrophobicContact CZ-CD1 3.63Å; F357-F359 HydrophobicContact CZ-CD2 4.37Å; F357-F359 HydrophobicContact CZ-CE1 4.15Å; F357-F359 AromaticContact CZ-CG 3.75Å; F357-F359 HydrophobicContact CZ-CG 3.75Å; F357-F359 PolarHBondContact O-N 3.46Å |
| 358 | Y | 96 | Very high | 94.6 | Very high | 181 Ų | 181 | 47.4 Ų | 47.4 | 71% | 0.71 | 22% | 0.222 | S | C | * | . | trans | -65 | 98.4 | 177.7 | -178 | -105.9 | 0 | 0 | 0 | 111 | P360 | Y358-P360 HydrophobicContact CD1-CG 4.29Å; Y358-P360 HydrophobicContact CE1-CB 4.48Å; Y358-P360 HydrophobicContact CE1-CG 3.67Å; Y358-P360 WeakPolarHBondContact O-CD 3.41Å | ||
| 359 | F | 97.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | trans | -128.1 | 73.3 | -175.4 | -165 | -169.6 | 0 | 0 | 0 | 111.5 | F180 L257 A260 C272 Y273 F274 Y350 Q353 A354 F357 A361 | F180-F359 HydrophobicContact CB-CE2 4.13Å; F180-F359 HydrophobicContact CB-CZ 3.77Å; F180-F359 AromaticContact CD2-CE2 3.63Å; F180-F359 HydrophobicContact CD2-CE2 3.63Å; F180-F359 AromaticContact CD2-CZ 3.59Å; F180-F359 HydrophobicContact CD2-CZ 3.59Å; F180-F359 HydrophobicContact CE2-CE2 4.45Å; F180-F359 HydrophobicContact CE2-CZ 4.38Å; F180-F359 HydrophobicContact CG-CE2 4.19Å; F180-F359 AromaticContact CG-CZ 3.8Å; F180-F359 HydrophobicContact CG-CZ 3.8Å; L257-F359 HydrophobicContact CD1-CE1 3.62Å; L257-F359 HydrophobicContact CD1-CZ 3.55Å; A260-F359 HydrophobicContact CB-CE1 3.68Å; A260-F359 HydrophobicContact CB-CZ 3.8Å; C272-F359 HydrophobicContact CB-CD2 3.86Å; C272-F359 HydrophobicContact CB-CE2 3.99Å; Y273-F359 VanDerWaalsContact C-CE2 3.46Å; F274-F359 HydrophobicContact CB-CD2 4.36Å; F274-F359 HydrophobicContact CB-CE2 3.85Å; F274-F359 HydrophobicContact CB-CZ 4Å; Y350-F359 AromaticContact CD2-CD1 3.83Å; Y350-F359 HydrophobicContact CD2-CD1 3.83Å; Y350-F359 AromaticContact CD2-CE1 3.81Å; Y350-F359 HydrophobicContact CD2-CE1 3.81Å; Y350-F359 HydrophobicContact CD2-CG 4.38Å; Y350-F359 HydrophobicContact CD2-CZ 4.33Å; Y350-F359 HydrophobicContact CE2-CB 4.5Å; Y350-F359 AromaticContact CE2-CD1 3.92Å; Y350-F359 HydrophobicContact CE2-CD1 3.92Å; Y350-F359 HydrophobicContact CE2-CD2 4.46Å; Y350-F359 HydrophobicContact CE2-CE1 4.27Å; Y350-F359 HydrophobicContact CE2-CG 4.03Å; Y350-F359 VanDerWaalsContact CE2-O 3.27Å; Y350-F359 WeakPolarHBondContact CE2-O 3.34Å; Y350-F359 PolarHBondContact OH-O 3.49Å; Q353-F359 HydrophobicContact CB-CD1 4.16Å; Q353-F359 HydrophobicContact CB-CE1 4.4Å; A354-F359 HydrophobicContact CB-CB 4.36Å; F357-F359 HydrophobicContact CD2-CB 4.09Å; F357-F359 HydrophobicContact CE1-CD1 4.21Å; F357-F359 HydrophobicContact CE2-CB 3.68Å; F357-F359 HydrophobicContact CE2-CD1 4.19Å; F357-F359 HydrophobicContact CE2-CD2 4.24Å; F357-F359 AromaticContact CE2-CG 3.81Å; F357-F359 HydrophobicContact CE2-CG 3.81Å; F357-F359 HydrophobicContact CZ-CB 3.94Å; F357-F359 AromaticContact CZ-CD1 3.63Å; F357-F359 HydrophobicContact CZ-CD1 3.63Å; F357-F359 HydrophobicContact CZ-CD2 4.37Å; F357-F359 HydrophobicContact CZ-CE1 4.15Å; F357-F359 AromaticContact CZ-CG 3.75Å; F357-F359 HydrophobicContact CZ-CG 3.75Å; F357-F359 PolarHBondContact O-N 3.46Å; F359-A361 PolarHBondContact O-N 3Å | ||
| 360 | P | 97.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | trans | -62.1 | 136.7 | -177.8 | 24.5 | -36.5 | 0 | 0 | 0 | 112.7 | C272 Y273 F274 Y358 | C272-P360 VanDerWaalsContact O-CD 3.32Å; C272-P360 WeakPolarHBondContact O-CD 3.43Å; Y273-P360 WeakPolarHBondContact CA-O 3.43Å; Y273-P360 HydrophobicContact CD1-CB 4.19Å; Y273-P360 HydrophobicContact CD1-CG 3.51Å; Y273-P360 HydrophobicContact CE1-CB 4.31Å; Y273-P360 HydrophobicContact CE1-CG 3.53Å; Y273-P360 HydrophobicContact CG-CG 4.35Å; F274-P360 PolarHBondContact N-O 2.92Å; Y358-P360 HydrophobicContact CD1-CG 4.29Å; Y358-P360 HydrophobicContact CE1-CB 4.48Å; Y358-P360 HydrophobicContact CE1-CG 3.67Å; Y358-P360 WeakPolarHBondContact O-CD 3.41Å | ||
| 361 | A | 96.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 21% | 0.207 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 144.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F274 Y276 Y350 F359 | F274-A361 HydrophobicContact CD1-CB 4.14Å; F274-A361 CarbonylContact O-C 3.51Å; F274-A361 VanDerWaalsContact O-CA 3.27Å; F274-A361 WeakPolarHBondContact O-CA 3.45Å; Y276-A361 HydrophobicContact CD1-CB 4.01Å; Y276-A361 HydrophobicContact CE1-CB 3.82Å; Y350-A361 HydrophobicContact CE1-CB 4.11Å; Y350-A361 HydrophobicContact CE2-CB 4.42Å; Y350-A361 WeakPolarHBondContact OH-CB 3.34Å; Y350-A361 PolarHBondContact OH-N 2.94Å; F359-A361 PolarHBondContact O-N 3Å |
| 362 | Y | 97 | Very high | 94.6 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.4 | 175.4 | -177.1 | -96.7 | 0 | 0 | 0 | 111.1 | M190 F274 I275 Y276 Y364 K366 F374 D377 M381 | M190-Y362 HydrophobicContact CE-CD1 4.21Å; M190-Y362 HydrophobicContact CE-CE1 4.35Å; F274-Y362 PolarHBondContact O-N 3.29Å; I275-Y362 HydrophobicContact CD1-CD1 4.21Å; I275-Y362 HydrophobicContact CD1-CG 4.39Å; Y276-Y362 VanDerWaalsContact CD1-O 3.24Å; Y276-Y362 WeakPolarHBondContact CD1-O 3.47Å; Y276-Y362 PolarHBondContact N-O 3.35Å; Y362-Y364 PolarHBondContact O-N 2.83Å; Y362-K366 HydrophobicContact CE2-CD 4.12Å; Y362-F374 HydrophobicContact CE1-CD2 4.06Å; Y362-F374 AromaticContact CE1-CE2 3.76Å; Y362-F374 HydrophobicContact CE1-CE2 3.76Å; Y362-F374 WeakPolarHBondContact OH-CD2 3.22Å; Y362-D377 HydrophobicContact CE2-CB 3.73Å; Y362-D377 WeakPolarHBondContact CE2-OD2 3.32Å; Y362-D377 WeakPolarHBondContact OH-CB 3.49Å; Y362-D377 PolarHBondContact OH-OD2 3.21Å; Y362-M381 HydrophobicContact CD1-CE 4.21Å; Y362-M381 HydrophobicContact CD2-CE 4.23Å; Y362-M381 HydrophobicContact CD2-SD 4.02Å; Y362-M381 HydrophobicContact CE1-CE 4.34Å; Y362-M381 HydrophobicContact CE2-CE 4.39Å; Y362-M381 HydrophobicContact CG-CE 4.13Å; Y362-M381 HydrophobicContact CG-SD 4.03Å |
| 363 | L | 96 | Very high | 94.7 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 108.5 | 179.3 | 179.9 | 65.7 | 0 | 0 | 0 | 110.5 | Y276 D365 K366 A464 | Y276-L363 HydrophobicContact CD2-CD1 4.11Å; Y276-L363 HydrophobicContact CE1-CB 3.9Å; Y276-L363 HydrophobicContact CE1-CD1 4.41Å; Y276-L363 HydrophobicContact CE2-CD1 3.59Å; L363-D365 HydrophobicContact CD1-CB 4.13Å; L363-D365 HydrophobicContact CD2-CB 4.34Å; L363-D365 HydrophobicContact CG-CB 4.03Å; L363-D365 PolarHBondContact O-N 3.33Å; L363-K366 WeakPolarHBondContact O-CB 3.5Å; L363-K366 WeakPolarHBondContact O-CG 3.34Å; L363-K366 PolarHBondContact O-N 2.87Å; L363-A464 HydrophobicContact CD2-CB 3.56Å |
| 364 | Y | 96.1 | Very high | 94.8 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 13% | 0.125 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -58 | -32 | 177 | 173.7 | -99.3 | 0 | 0 | 0 | 113.7 | C185 G186 L189 Y276 R277 Y362 K366 V367 F368 F374 | C185-Y364 WeakPolarHBondContact O-CB 3.04Å; C185-Y364 WeakPolarHBondContact O-CD2 3.22Å; G186-Y364 VanDerWaalsContact CA-CE2 3.45Å; L189-Y364 HydrophobicContact CD2-CE2 4.2Å; Y276-Y364 WeakPolarHBondContact O-CB 3.47Å; Y276-Y364 PolarHBondContact O-N 3.4Å; R277-Y364 HydrophobicContact CG-CD1 4.44Å; Y362-Y364 PolarHBondContact O-N 2.83Å; Y364-K366 PolarHBondContact O-N 3.17Å; Y364-V367 HydrophobicContact CD1-CG1 4.29Å; Y364-V367 HydrophobicContact CE1-CG1 3.79Å; Y364-V367 HydrophobicContact CE2-CB 4.48Å; Y364-V367 HydrophobicContact CE2-CG1 4.32Å; Y364-V367 WeakPolarHBondContact O-CB 3.31Å; Y364-V367 VanDerWaalsContact O-CG1 3.3Å; Y364-V367 WeakPolarHBondContact O-CG1 3.08Å; Y364-V367 PolarHBondContact O-N 3.16Å; Y364-F368 HydrophobicContact CE1-CE2 4.47Å; Y364-F374 AromaticContact CD2-CE2 3.84Å; Y364-F374 HydrophobicContact CD2-CE2 3.84Å; Y364-F374 AromaticContact CD2-CZ 3.86Å; Y364-F374 HydrophobicContact CD2-CZ 3.86Å; Y364-F374 HydrophobicContact CE2-CE2 4.14Å; Y364-F374 AromaticContact CE2-CZ 3.79Å; Y364-F374 HydrophobicContact CE2-CZ 3.79Å |
| 365 | D | 93.4 | Very high | 95 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -59.9 | -15.8 | -177.3 | -85.5 | -6.6 | 0 | 0 | 0 | 113.7 | R277 Q278 K281 L363 V367 F368 | R277-D365 WeakPolarHBondContact CD-OD1 3.5Å; R277-D365 WeakPolarHBondContact CG-OD1 3.36Å; R277-D365 IonicContact CZ-OD1 2.8Å; R277-D365 IonicContact NE-OD1 3.85Å; R277-D365 PolarHBondContact NE-OD1 3.36Å; R277-D365 IonicContact NH2-OD1 3.9Å; Q278-D365 VanDerWaalsContact CB-OD2 3.31Å; Q278-D365 WeakPolarHBondContact CB-OD2 3.36Å; Q278-D365 WeakPolarHBondContact CG-OD2 3.32Å; K281-D365 WeakPolarHBondContact CD-OD2 3.42Å; K281-D365 WeakPolarHBondContact CE-OD2 3.24Å; K281-D365 IonicContact NZ-OD1 3.87Å; K281-D365 IonicContact NZ-OD2 2.89Å; K281-D365 PolarHBondContact NZ-OD2 3.24Å; L363-D365 HydrophobicContact CD1-CB 4.13Å; L363-D365 HydrophobicContact CD2-CB 4.34Å; L363-D365 HydrophobicContact CG-CB 4.03Å; L363-D365 PolarHBondContact O-N 3.33Å; D365-V367 PolarHBondContact O-N 3.47Å; D365-V367 VanDerWaalsContact O-N 3.08Å; D365-F368 HydrophobicContact CB-CD2 4.38Å; D365-F368 VanDerWaalsContact O-CD2 3.24Å; D365-F368 WeakPolarHBondContact O-CD2 3.27Å; D365-F368 PolarHBondContact O-N 2.91Å |
| 366 | K | 91.7 | Very high | 95.2 | Very high | 90 Ų | 90 | 57 Ų | 57 | 39% | 0.391 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -55.4 | -22.1 | 169.1 | -72.6 | -178.3 | 167 | -169.7 | 0 | 114 | Y362 L363 Y364 F368 D369 G370 D377 | Y362-K366 HydrophobicContact CE2-CD 4.12Å; L363-K366 WeakPolarHBondContact O-CB 3.5Å; L363-K366 WeakPolarHBondContact O-CG 3.34Å; L363-K366 PolarHBondContact O-N 2.87Å; Y364-K366 PolarHBondContact O-N 3.17Å; K366-F368 PolarHBondContact O-N 3.28Å; K366-F368 VanDerWaalsContact O-N 3.1Å; K366-D369 PolarHBondContact O-N 3.34Å; K366-G370 PolarHBondContact O-N 3.16Å; K366-D377 IonicContact NZ-OD2 3.88Å |
| 367 | V | 92 | Very high | 95.4 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -55 | -27.2 | 174.1 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | Y364 D365 F374 M396 | Y364-V367 HydrophobicContact CD1-CG1 4.29Å; Y364-V367 HydrophobicContact CE1-CG1 3.79Å; Y364-V367 HydrophobicContact CE2-CB 4.48Å; Y364-V367 HydrophobicContact CE2-CG1 4.32Å; Y364-V367 WeakPolarHBondContact O-CB 3.31Å; Y364-V367 VanDerWaalsContact O-CG1 3.3Å; Y364-V367 WeakPolarHBondContact O-CG1 3.08Å; Y364-V367 PolarHBondContact O-N 3.16Å; D365-V367 PolarHBondContact O-N 3.47Å; D365-V367 VanDerWaalsContact O-N 3.08Å; V367-F374 HydrophobicContact CB-CB 4.49Å; V367-F374 HydrophobicContact CB-CD1 4.3Å; V367-F374 HydrophobicContact CB-CD2 3.68Å; V367-F374 HydrophobicContact CB-CE1 4.48Å; V367-F374 HydrophobicContact CB-CE2 3.88Å; V367-F374 HydrophobicContact CB-CG 3.9Å; V367-F374 HydrophobicContact CB-CZ 4.29Å; V367-F374 HydrophobicContact CG2-CD1 3.84Å; V367-F374 HydrophobicContact CG2-CD2 4.15Å; V367-F374 HydrophobicContact CG2-CE1 4.03Å; V367-F374 HydrophobicContact CG2-CE2 4.32Å; V367-F374 HydrophobicContact CG2-CG 3.91Å; V367-F374 HydrophobicContact CG2-CZ 4.28Å; V367-M396 HydrophobicContact CG2-CE 3.38Å |
| 368 | F | 90.3 | Very high | 95.6 | Very high | 123 Ų | 123 | 51.5 Ų | 51.5 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -86 | -16.4 | 179.7 | -57.2 | -67.2 | 0 | 0 | 0 | 113.3 | Y364 D365 K366 | Y364-F368 HydrophobicContact CE1-CE2 4.47Å; D365-F368 HydrophobicContact CB-CD2 4.38Å; D365-F368 VanDerWaalsContact O-CD2 3.24Å; D365-F368 WeakPolarHBondContact O-CD2 3.27Å; D365-F368 PolarHBondContact O-N 2.91Å; K366-F368 PolarHBondContact O-N 3.28Å; K366-F368 VanDerWaalsContact O-N 3.1Å |
| 369 | D | 91.3 | Very high | 95.7 | Very high | 129 Ų | 129 | 42.9 Ų | 42.9 | 69% | 0.69 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -28.2 | -179.9 | -58.2 | -34.4 | 0 | 0 | 0 | 111.6 | K366 | K366-D369 PolarHBondContact O-N 3.34Š|
| 370 | G | 93.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | trans | -178.8 | 116 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K366 E372 Q373 F374 | K366-G370 PolarHBondContact O-N 3.16Å; G370-E372 PolarHBondContact O-N 3.32Å; G370-Q373 PolarHBondContact O-N 3.47Å; G370-F374 WeakPolarHBondContact O-CB 3.15Å; G370-F374 PolarHBondContact O-N 3.03Å | ||
| 371 | R | 95.2 | Very high | 95.8 | Very high | 106 Ų | 106 | 45.2 Ų | 45.2 | 40% | 0.4 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | -177.4 | -70.1 | 178.5 | 60.4 | 163.9 | -11.3 | 112.7 | F374 C375 M396 D397 | R371-F374 PolarHBondContact O-N 3.2Å; R371-C375 PolarHBondContact O-N 3.06Å; R371-M396 HydrophobicContact CB-CE 3.92Å; R371-M396 HydrophobicContact CB-SD 3.82Å; R371-M396 HydrophobicContact CG-CE 3.74Å; R371-M396 HydrophobicContact CG-SD 4.2Å; R371-D397 IonicContact CZ-OD1 3.4Å; R371-D397 VanDerWaalsContact CZ-OD1 3.23Å; R371-D397 IonicContact NH1-OD1 3.62Å; R371-D397 PolarHBondContact NH1-OD1 3.42Å; R371-D397 VanDerWaalsContact NH2-CG 3.29Å; R371-D397 IonicContact NH2-OD1 3.7Å; R371-D397 PolarHBondContact NH2-OD1 3.48Å; R371-D397 IonicContact NH2-OD2 2.78Å |
| 372 | E | 97 | Very high | 95.9 | Very high | 116 Ų | 116 | 44 Ų | 44 | 54% | 0.542 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.8 | -46.3 | -179.7 | -173.8 | 178.9 | 164.9 | 0 | 0 | 112.1 | G370 F374 C375 T376 L389 M393 | G370-E372 PolarHBondContact O-N 3.32Å; E372-F374 PolarHBondContact O-N 3.12Å; E372-C375 PolarHBondContact O-N 2.81Å; E372-T376 WeakPolarHBondContact O-CB 3.46Å; E372-T376 PolarHBondContact O-N 3.3Å; E372-T376 PolarHBondContact O-OG1 2.71Å; E372-L389 HydrophobicContact CG-CD1 4.37Å; E372-L389 HydrophobicContact CG-CD2 3.93Å; E372-M393 HydrophobicContact CB-SD 3.96Å; E372-M393 HydrophobicContact CG-SD 3.92Å |
| 373 | Q | 97.2 | Very high | 95.9 | Very high | 113 Ų | 113 | 44.8 Ų | 44.8 | 53% | 0.528 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.2 | -173.3 | 61.9 | 55.4 | 0 | 0 | 111.1 | G370 C375 T376 D377 | G370-Q373 PolarHBondContact O-N 3.47Å; Q373-C375 PolarHBondContact O-N 3.43Å; Q373-T376 WeakPolarHBondContact O-CB 3.32Å; Q373-T376 PolarHBondContact O-N 3.02Å; Q373-D377 PolarHBondContact NE2-OD1 3.39Å; Q373-D377 PolarHBondContact O-N 2.8Å |
| 374 | F | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.1 | 174.7 | -91.7 | 0 | 0 | 0 | 112 | L189 M190 I193 Y362 Y364 V367 G370 R371 E372 D377 V378 M396 | L189-F374 HydrophobicContact CD2-CE1 4.37Å; M190-F374 HydrophobicContact CG-CZ 3.86Å; I193-F374 HydrophobicContact CD1-CD1 4.25Å; I193-F374 HydrophobicContact CD1-CE1 3.68Å; Y362-F374 HydrophobicContact CE1-CD2 4.06Å; Y362-F374 AromaticContact CE1-CE2 3.76Å; Y362-F374 HydrophobicContact CE1-CE2 3.76Å; Y362-F374 WeakPolarHBondContact OH-CD2 3.22Å; Y364-F374 AromaticContact CD2-CE2 3.84Å; Y364-F374 HydrophobicContact CD2-CE2 3.84Å; Y364-F374 AromaticContact CD2-CZ 3.86Å; Y364-F374 HydrophobicContact CD2-CZ 3.86Å; Y364-F374 HydrophobicContact CE2-CE2 4.14Å; Y364-F374 AromaticContact CE2-CZ 3.79Å; Y364-F374 HydrophobicContact CE2-CZ 3.79Å; V367-F374 HydrophobicContact CB-CB 4.49Å; V367-F374 HydrophobicContact CB-CD1 4.3Å; V367-F374 HydrophobicContact CB-CD2 3.68Å; V367-F374 HydrophobicContact CB-CE1 4.48Å; V367-F374 HydrophobicContact CB-CE2 3.88Å; V367-F374 HydrophobicContact CB-CG 3.9Å; V367-F374 HydrophobicContact CB-CZ 4.29Å; V367-F374 HydrophobicContact CG2-CD1 3.84Å; V367-F374 HydrophobicContact CG2-CD2 4.15Å; V367-F374 HydrophobicContact CG2-CE1 4.03Å; V367-F374 HydrophobicContact CG2-CE2 4.32Å; V367-F374 HydrophobicContact CG2-CG 3.91Å; V367-F374 HydrophobicContact CG2-CZ 4.28Å; G370-F374 WeakPolarHBondContact O-CB 3.15Å; G370-F374 PolarHBondContact O-N 3.03Å; R371-F374 PolarHBondContact O-N 3.2Å; E372-F374 PolarHBondContact O-N 3.12Å; F374-D377 PolarHBondContact O-N 3.38Å; F374-V378 HydrophobicContact CD1-CG2 4.22Å; F374-V378 HydrophobicContact CE1-CG2 3.86Å; F374-V378 HydrophobicContact CE2-CG2 4.44Å; F374-V378 HydrophobicContact CZ-CG2 3.97Å; F374-V378 WeakPolarHBondContact O-CG2 3.41Å; F374-V378 PolarHBondContact O-N 3Å; F374-M396 HydrophobicContact CD1-CE 3.88Å; F374-M396 HydrophobicContact CD1-SD 4.48Å; F374-M396 HydrophobicContact CE1-CE 4.35Å |
| 375 | C | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.2 | -82.4 | 0 | 0 | 0 | 0 | 111.6 | R371 E372 Q373 D377 V378 L379 L389 A392 M393 M396 | R371-C375 PolarHBondContact O-N 3.06Å; E372-C375 PolarHBondContact O-N 2.81Å; Q373-C375 PolarHBondContact O-N 3.43Å; C375-D377 PolarHBondContact O-N 3.23Å; C375-V378 WeakPolarHBondContact O-CB 3.26Å; C375-V378 PolarHBondContact O-N 3.39Å; C375-V378 VanDerWaalsContact O-N 3.16Å; C375-L379 VanDerWaalsContact O-CG 3.31Å; C375-L379 WeakPolarHBondContact O-CG 3.41Å; C375-L379 PolarHBondContact O-N 3.2Å; C375-L389 HydrophobicContact CB-CD1 3.59Å; C375-A392 HydrophobicContact CB-CB 4.12Å; C375-M393 HydrophobicContact CB-CG 4.36Å; C375-M396 PolarHBondContact SG-SD 3.44Å |
| 376 | T | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | E372 Q373 V378 L379 D380 | E372-T376 WeakPolarHBondContact O-CB 3.46Å; E372-T376 PolarHBondContact O-N 3.3Å; E372-T376 PolarHBondContact O-OG1 2.71Å; Q373-T376 WeakPolarHBondContact O-CB 3.32Å; Q373-T376 PolarHBondContact O-N 3.02Å; T376-V378 VanDerWaalsContact C-N 3.33Å; T376-V378 PolarHBondContact O-N 3.43Å; T376-L379 PolarHBondContact O-N 3.08Å; T376-D380 WeakPolarHBondContact O-CB 3.47Å; T376-D380 VanDerWaalsContact O-CG 3.31Å; T376-D380 PolarHBondContact O-N 2.94Å |
| 377 | D | 98 | Very high | 96.6 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 176.5 | -70.9 | 2.9 | 0 | 0 | 0 | 111.2 | Y362 K366 Q373 F374 C375 D380 M381 | Y362-D377 HydrophobicContact CE2-CB 3.73Å; Y362-D377 WeakPolarHBondContact CE2-OD2 3.32Å; Y362-D377 WeakPolarHBondContact OH-CB 3.49Å; Y362-D377 PolarHBondContact OH-OD2 3.21Å; K366-D377 IonicContact NZ-OD2 3.88Å; Q373-D377 PolarHBondContact NE2-OD1 3.39Å; Q373-D377 PolarHBondContact O-N 2.8Å; F374-D377 PolarHBondContact O-N 3.38Å; C375-D377 PolarHBondContact O-N 3.23Å; D377-D380 PolarHBondContact O-N 3.19Å; D377-M381 WeakPolarHBondContact O-CB 3.34Å; D377-M381 VanDerWaalsContact O-CG 3.25Å; D377-M381 WeakPolarHBondContact O-CG 3.16Å; D377-M381 PolarHBondContact O-N 2.89Å |
| 378 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | M190 I193 V194 F374 C375 T376 M381 C382 | M190-V378 HydrophobicContact CB-CG1 4.22Å; M190-V378 HydrophobicContact CB-CG2 4.34Å; M190-V378 HydrophobicContact CE-CG2 3.78Å; M190-V378 HydrophobicContact CG-CG2 3.93Å; I193-V378 HydrophobicContact CB-CG1 4.39Å; I193-V378 HydrophobicContact CG2-CG1 4.04Å; V194-V378 HydrophobicContact CG2-CG1 3.67Å; F374-V378 HydrophobicContact CD1-CG2 4.22Å; F374-V378 HydrophobicContact CE1-CG2 3.86Å; F374-V378 HydrophobicContact CE2-CG2 4.44Å; F374-V378 HydrophobicContact CZ-CG2 3.97Å; F374-V378 WeakPolarHBondContact O-CG2 3.41Å; F374-V378 PolarHBondContact O-N 3Å; C375-V378 WeakPolarHBondContact O-CB 3.26Å; C375-V378 PolarHBondContact O-N 3.39Å; C375-V378 VanDerWaalsContact O-N 3.16Å; T376-V378 VanDerWaalsContact C-N 3.33Å; T376-V378 PolarHBondContact O-N 3.43Å; V378-M381 HydrophobicContact CG2-CE 4.29Å; V378-C382 PolarHBondContact O-N 2.91Å; V378-C382 PolarHBondContact O-SG 3.22Å |
| 379 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 178.2 | -64.2 | -173 | 0 | 0 | 0 | 110.8 | I193 A197 C375 T376 M381 C382 G383 V384 C388 L389 A392 | I193-L379 HydrophobicContact CG2-CD2 4.46Å; A197-L379 HydrophobicContact CB-CD2 4.03Å; C375-L379 VanDerWaalsContact O-CG 3.31Å; C375-L379 WeakPolarHBondContact O-CG 3.41Å; C375-L379 PolarHBondContact O-N 3.2Å; T376-L379 PolarHBondContact O-N 3.08Å; L379-M381 PolarHBondContact O-N 2.94Å; L379-C382 CarbonylContact O-C 3.52Å; L379-C382 PolarHBondContact O-N 2.99Å; L379-G383 PolarHBondContact O-N 2.87Å; L379-V384 HydrophobicContact CB-CB 4.05Å; L379-V384 HydrophobicContact CD2-CB 3.78Å; L379-V384 HydrophobicContact CD2-CG1 3.7Å; L379-V384 HydrophobicContact CD2-CG2 4.26Å; L379-V384 HydrophobicContact CG-CB 4.42Å; L379-V384 HydrophobicContact CG-CG1 4.48Å; L379-V384 PolarHBondContact O-N 3.31Å; L379-C388 HydrophobicContact CD1-CB 4.36Å; L379-L389 HydrophobicContact CD1-CB 4.29Å; L379-A392 HydrophobicContact CD1-CB 4.03Å; L379-A392 HydrophobicContact CD2-CB 4.08Å; L379-A392 HydrophobicContact CG-CB 4.27Å |
| 380 | D | 98.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | -179.8 | -73.9 | -9.7 | 0 | 0 | 0 | 111.4 | T376 D377 C382 G383 R386 | T376-D380 WeakPolarHBondContact O-CB 3.47Å; T376-D380 VanDerWaalsContact O-CG 3.31Å; T376-D380 PolarHBondContact O-N 2.94Å; D377-D380 PolarHBondContact O-N 3.19Å; D380-C382 VanDerWaalsContact C-N 3.27Å; D380-C382 PolarHBondContact O-N 3.05Å; D380-G383 PolarHBondContact O-N 3.47Å; D380-G383 VanDerWaalsContact O-N 3.14Å; D380-R386 IonicContact OD1-CZ 3.47Å; D380-R386 IonicContact OD1-NE 3.54Å; D380-R386 PolarHBondContact OD1-NE 2.94Å; D380-R386 VanDerWaalsContact OD1-NE 3.12Å; D380-R386 IonicContact OD1-NH2 2.78Å; D380-R386 IonicContact OD2-CZ 2.85Å; D380-R386 IonicContact OD2-NE 3.75Å; D380-R386 IonicContact OD2-NH2 2.71Å; D380-R386 PolarHBondContact OD2-NH2 3.36Å |
| 381 | M | 98 | Very high | 97.7 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.069 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.6 | -42.7 | 175.7 | -75.2 | -173 | -61.8 | 0 | 0 | 112.1 | R175 M190 Y273 Y362 D377 V378 L379 G383 | R175-M381 PolarHBondContact NH2-O 2.93Å; R175-M381 VanDerWaalsContact NH2-O 3.1Å; M190-M381 HydrophobicContact CE-CE 3.2Å; Y273-M381 HydrophobicContact CD1-CG 3.94Å; Y273-M381 HydrophobicContact CD1-SD 3.53Å; Y273-M381 VanDerWaalsContact CD1-SD 3.53Å; Y273-M381 HydrophobicContact CD2-CB 4.25Å; Y273-M381 HydrophobicContact CD2-CG 4.49Å; Y273-M381 HydrophobicContact CD2-SD 4.47Å; Y273-M381 HydrophobicContact CE1-CB 4.18Å; Y273-M381 HydrophobicContact CE1-CG 3.54Å; Y273-M381 HydrophobicContact CE1-SD 3.78Å; Y273-M381 HydrophobicContact CE2-CB 3.81Å; Y273-M381 HydrophobicContact CE2-CG 4.13Å; Y273-M381 HydrophobicContact CG-CG 4.41Å; Y273-M381 HydrophobicContact CG-SD 3.92Å; Y362-M381 HydrophobicContact CD1-CE 4.21Å; Y362-M381 HydrophobicContact CD2-CE 4.23Å; Y362-M381 HydrophobicContact CD2-SD 4.02Å; Y362-M381 HydrophobicContact CE1-CE 4.34Å; Y362-M381 HydrophobicContact CE2-CE 4.39Å; Y362-M381 HydrophobicContact CG-CE 4.13Å; Y362-M381 HydrophobicContact CG-SD 4.03Å; D377-M381 WeakPolarHBondContact O-CB 3.34Å; D377-M381 VanDerWaalsContact O-CG 3.25Å; D377-M381 WeakPolarHBondContact O-CG 3.16Å; D377-M381 PolarHBondContact O-N 2.89Å; V378-M381 HydrophobicContact CG2-CE 4.29Å; L379-M381 PolarHBondContact O-N 2.94Å; M381-G383 VanDerWaalsContact C-N 3.31Å; M381-G383 PolarHBondContact O-N 2.77Å |
| 382 | C | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -85.8 | -2 | -177 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | R175 V194 V249 V378 L379 D380 V384 | R175-C382 PolarHBondContact NE-O 2.51Å; V194-C382 HydrophobicContact CG1-CB 4.43Å; V194-C382 HydrophobicContact CG2-CB 4.02Å; V249-C382 HydrophobicContact CG2-CB 3.9Å; V378-C382 PolarHBondContact O-N 2.91Å; V378-C382 PolarHBondContact O-SG 3.22Å; L379-C382 CarbonylContact O-C 3.52Å; L379-C382 PolarHBondContact O-N 2.99Å; D380-C382 VanDerWaalsContact C-N 3.27Å; D380-C382 PolarHBondContact O-N 3.05Å; C382-V384 VanDerWaalsContact C-N 3.29Å; C382-V384 HydrophobicContact CB-CG2 4.02Å; C382-V384 PolarHBondContact O-N 2.8Å |
| 383 | G | 97.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 32 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R247 L379 D380 M381 | R247-G383 WeakPolarHBondContact CD-O 3.4Å; R247-G383 PolarHBondContact NE-O 3.08Å; L379-G383 PolarHBondContact O-N 2.87Å; D380-G383 PolarHBondContact O-N 3.47Å; D380-G383 VanDerWaalsContact O-N 3.14Å; M381-G383 VanDerWaalsContact C-N 3.31Å; M381-G383 PolarHBondContact O-N 2.77Å |
| 384 | V | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | trans | -86.9 | 134.8 | 173.8 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | V194 D198 L379 C382 C388 | V194-V384 HydrophobicContact CG1-CG2 3.98Å; D198-V384 HydrophobicContact CB-CG1 3.64Å; D198-V384 HydrophobicContact CB-CG2 4.43Å; L379-V384 HydrophobicContact CB-CB 4.05Å; L379-V384 HydrophobicContact CD2-CB 3.78Å; L379-V384 HydrophobicContact CD2-CG1 3.7Å; L379-V384 HydrophobicContact CD2-CG2 4.26Å; L379-V384 HydrophobicContact CG-CB 4.42Å; L379-V384 HydrophobicContact CG-CG1 4.48Å; L379-V384 PolarHBondContact O-N 3.31Å; C382-V384 VanDerWaalsContact C-N 3.29Å; C382-V384 HydrophobicContact CB-CG2 4.02Å; C382-V384 PolarHBondContact O-N 2.8Å; V384-C388 HydrophobicContact CG1-CB 3.86Å | ||
| 385 | P | 98.1 | Very high | 97.4 | Very high | 68 Ų | 68 | 36 Ų | 36 | 44% | 0.442 | 22% | 0.223 | S | C | . | . | trans | -59 | 139.8 | 178.8 | -25.5 | 35.3 | 0 | 0 | 0 | 113.1 | S387 C388 | P385-S387 WeakPolarHBondContact CB-OG 3.32Å; P385-S387 PolarHBondContact O-N 3.03Å; P385-S387 VanDerWaalsContact O-N 3.11Å; P385-C388 VanDerWaalsContact O-CB 3.27Å; P385-C388 WeakPolarHBondContact O-CB 3.19Å; P385-C388 PolarHBondContact O-N 3.13Å | ||
| 386 | R | 97.7 | Very high | 97 | Very high | 153 Ų | 153 | 37.1 Ų | 37.1 | 58% | 0.577 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -62.4 | -18.6 | 177 | -68.1 | -173.4 | 177.6 | -173.3 | -2.2 | 114 | D380 C388 L389 | D380-R386 IonicContact OD1-CZ 3.47Å; D380-R386 IonicContact OD1-NE 3.54Å; D380-R386 PolarHBondContact OD1-NE 2.94Å; D380-R386 VanDerWaalsContact OD1-NE 3.12Å; D380-R386 IonicContact OD1-NH2 2.78Å; D380-R386 IonicContact OD2-CZ 2.85Å; D380-R386 IonicContact OD2-NE 3.75Å; D380-R386 IonicContact OD2-NH2 2.71Å; D380-R386 PolarHBondContact OD2-NH2 3.36Å; R386-C388 PolarHBondContact O-N 3.34Å; R386-C388 VanDerWaalsContact O-N 3.12Å; R386-L389 WeakPolarHBondContact O-CB 3.36Å; R386-L389 PolarHBondContact O-N 3.44Å |
| 387 | S | 98.2 | Very high | 96.5 | Very high | 109 Ų | 109 | 42 Ų | 42 | 76% | 0.762 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -58.2 | -20.7 | 169.6 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | P385 L389 | P385-S387 WeakPolarHBondContact CB-OG 3.32Å; P385-S387 PolarHBondContact O-N 3.03Å; P385-S387 VanDerWaalsContact O-N 3.11Å; S387-L389 VanDerWaalsContact C-N 3.31Å |
| 388 | C | 98 | Very high | 96 | Very high | 21 Ų | 21 | 47 Ų | 47 | 14% | 0.142 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -84 | 0.7 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | A197 L379 V384 P385 R386 G390 A391 A392 | A197-C388 HydrophobicContact CB-CB 4.04Å; A197-C388 WeakPolarHBondContact O-CB 3.5Å; A197-C388 PolarHBondContact O-SG 3.24Å; L379-C388 HydrophobicContact CD1-CB 4.36Å; V384-C388 HydrophobicContact CG1-CB 3.86Å; P385-C388 VanDerWaalsContact O-CB 3.27Å; P385-C388 WeakPolarHBondContact O-CB 3.19Å; P385-C388 PolarHBondContact O-N 3.13Å; R386-C388 PolarHBondContact O-N 3.34Å; R386-C388 VanDerWaalsContact O-N 3.12Å; C388-G390 VanDerWaalsContact C-N 3.31Å; C388-G390 PolarHBondContact O-N 3.43Å; C388-A391 PolarHBondContact O-N 2.8Å; C388-A392 PolarHBondContact O-N 3.44Å |
| 389 | L | 98.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -39.4 | -176.1 | 179.2 | 59.7 | 0 | 0 | 0 | 113.1 | E372 C375 L379 R386 S387 A391 A392 M393 | E372-L389 HydrophobicContact CG-CD1 4.37Å; E372-L389 HydrophobicContact CG-CD2 3.93Å; C375-L389 HydrophobicContact CB-CD1 3.59Å; L379-L389 HydrophobicContact CD1-CB 4.29Å; R386-L389 WeakPolarHBondContact O-CB 3.36Å; R386-L389 PolarHBondContact O-N 3.44Å; S387-L389 VanDerWaalsContact C-N 3.31Å; L389-A391 PolarHBondContact O-N 3.44Å; L389-A392 WeakPolarHBondContact O-CB 3.18Å; L389-A392 PolarHBondContact O-N 2.76Å; L389-M393 HydrophobicContact CD1-CG 4.07Å; L389-M393 HydrophobicContact CD1-SD 4.46Å; L389-M393 HydrophobicContact CG-CE 4.31Å; L389-M393 HydrophobicContact CG-CG 4.45Å; L389-M393 HydrophobicContact CG-SD 4.47Å; L389-M393 WeakPolarHBondContact O-CG 3.5Å; L389-M393 PolarHBondContact O-N 3.32Å |
| 390 | G | 97.1 | Very high | 95.2 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C388 M393 S394 | C388-G390 VanDerWaalsContact C-N 3.31Å; C388-G390 PolarHBondContact O-N 3.43Å; G390-M393 PolarHBondContact O-N 2.89Å; G390-S394 PolarHBondContact O-N 3.04Å |
| 391 | A | 96.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H196 A197 C388 L389 M393 S394 C395 | H196-A391 PolarHBondContact CD2-O 2.78Å; A197-A391 HydrophobicContact CB-CB 4.43Å; C388-A391 PolarHBondContact O-N 2.8Å; L389-A391 PolarHBondContact O-N 3.44Å; A391-M393 VanDerWaalsContact C-N 3.28Å; A391-M393 PolarHBondContact O-N 3.06Å; A391-S394 PolarHBondContact O-N 3.08Å; A391-S394 PolarHBondContact O-OG 2.75Å; A391-C395 PolarHBondContact O-N 3.25Å |
| 392 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.5 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I193 A197 C375 L379 C388 L389 C395 | I193-A392 HydrophobicContact CG2-CB 3.64Å; A197-A392 HydrophobicContact CB-CB 3.91Å; C375-A392 HydrophobicContact CB-CB 4.12Å; L379-A392 HydrophobicContact CD1-CB 4.03Å; L379-A392 HydrophobicContact CD2-CB 4.08Å; L379-A392 HydrophobicContact CG-CB 4.27Å; C388-A392 PolarHBondContact O-N 3.44Å; L389-A392 WeakPolarHBondContact O-CB 3.18Å; L389-A392 PolarHBondContact O-N 2.76Å; A392-C395 WeakPolarHBondContact O-CB 3.43Å; A392-C395 PolarHBondContact O-N 2.9Å |
| 393 | M | 96.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 179.7 | -70.5 | -167.9 | -60.8 | 0 | 0 | 113.3 | E372 C375 L389 G390 A391 C395 M396 | E372-M393 HydrophobicContact CB-SD 3.96Å; E372-M393 HydrophobicContact CG-SD 3.92Å; C375-M393 HydrophobicContact CB-CG 4.36Å; L389-M393 HydrophobicContact CD1-CG 4.07Å; L389-M393 HydrophobicContact CD1-SD 4.46Å; L389-M393 HydrophobicContact CG-CE 4.31Å; L389-M393 HydrophobicContact CG-CG 4.45Å; L389-M393 HydrophobicContact CG-SD 4.47Å; L389-M393 WeakPolarHBondContact O-CG 3.5Å; L389-M393 PolarHBondContact O-N 3.32Å; G390-M393 PolarHBondContact O-N 2.89Å; A391-M393 VanDerWaalsContact C-N 3.28Å; A391-M393 PolarHBondContact O-N 3.06Å; M393-C395 PolarHBondContact O-N 2.71Å; M393-M396 WeakPolarHBondContact O-CB 3.28Å; M393-M396 PolarHBondContact O-N 3.43Å |
| 394 | S | 94.9 | Very high | 93 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.9 | -23.7 | 178.8 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | H196 G390 A391 M396 | H196-S394 PolarHBondContact NE2-OG 2.95Å; G390-S394 PolarHBondContact O-N 3.04Å; A391-S394 PolarHBondContact O-N 3.08Å; A391-S394 PolarHBondContact O-OG 2.75Å; S394-M396 VanDerWaalsContact C-N 3.32Å; S394-M396 PolarHBondContact O-N 2.82Å |
| 395 | C | 91.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 8% | 0.081 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.4 | -28.4 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | K192 I193 H196 A391 A392 M393 D397 Q398 | K192-C395 VanDerWaalsContact C-SG 3.6Å; I193-C395 HydrophobicContact CG1-CB 4.32Å; H196-C395 HydrophobicContact CB-CB 4.11Å; A391-C395 PolarHBondContact O-N 3.25Å; A392-C395 WeakPolarHBondContact O-CB 3.43Å; A392-C395 PolarHBondContact O-N 2.9Å; M393-C395 PolarHBondContact O-N 2.71Å; C395-D397 VanDerWaalsContact C-N 3.26Å; C395-D397 PolarHBondContact O-N 3.25Å; C395-Q398 PolarHBondContact O-N 3.39Å |
| 396 | M | 90.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.9 | -170.4 | -70.5 | -174.2 | 80.5 | 0 | 0 | 115 | I193 V367 R371 F374 C375 M393 S394 Q398 | I193-M396 HydrophobicContact CD1-CG 3.88Å; I193-M396 HydrophobicContact CG1-CG 4.23Å; V367-M396 HydrophobicContact CG2-CE 3.38Å; R371-M396 HydrophobicContact CB-CE 3.92Å; R371-M396 HydrophobicContact CB-SD 3.82Å; R371-M396 HydrophobicContact CG-CE 3.74Å; R371-M396 HydrophobicContact CG-SD 4.2Å; F374-M396 HydrophobicContact CD1-CE 3.88Å; F374-M396 HydrophobicContact CD1-SD 4.48Å; F374-M396 HydrophobicContact CE1-CE 4.35Å; C375-M396 PolarHBondContact SG-SD 3.44Å; M393-M396 WeakPolarHBondContact O-CB 3.28Å; M393-M396 PolarHBondContact O-N 3.43Å; S394-M396 VanDerWaalsContact C-N 3.32Å; S394-M396 PolarHBondContact O-N 2.82Å; M396-Q398 PolarHBondContact O-N 2.92Å |
| 397 | D | 87.6 | Confident | 91.1 | Very high | 117 Ų | 117 | 46.5 Ų | 46.5 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.3 | -179.3 | -67.2 | -43.1 | 0 | 0 | 0 | 113.8 | R371 C395 | R371-D397 IonicContact CZ-OD1 3.4Å; R371-D397 VanDerWaalsContact CZ-OD1 3.23Å; R371-D397 IonicContact NH1-OD1 3.62Å; R371-D397 PolarHBondContact NH1-OD1 3.42Å; R371-D397 VanDerWaalsContact NH2-CG 3.29Å; R371-D397 IonicContact NH2-OD1 3.7Å; R371-D397 PolarHBondContact NH2-OD1 3.48Å; R371-D397 IonicContact NH2-OD2 2.78Å; C395-D397 VanDerWaalsContact C-N 3.26Å; C395-D397 PolarHBondContact O-N 3.25Å |
| 398 | Q | 87.6 | Confident | 90.7 | Very high | 137 Ų | 137 | 47.9 Ų | 47.9 | 64% | 0.64 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -108.6 | 148.1 | -178 | -59.7 | 177.7 | 18.8 | 0 | 0 | 111.1 | C395 M396 A400 | C395-Q398 PolarHBondContact O-N 3.39Å; M396-Q398 PolarHBondContact O-N 2.92Å; Q398-A400 PolarHBondContact O-N 2.97Å |
| 399 | D | 89.5 | Confident | 90.1 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | trans | -63.8 | 113.4 | 168.1 | -177.7 | -3.3 | 0 | 0 | 0 | 108.8 | Q401 D402 S407 Q408 | D399-Q401 PolarHBondContact O-N 2.93Å; D399-Q401 PolarHBondContact OD1-N 2.96Å; D399-D402 HydrophobicContact CB-CB 4.17Å; D399-D402 WeakPolarHBondContact O-CB 3.35Å; D399-D402 PolarHBondContact O-N 3.2Å; D399-S407 WeakPolarHBondContact OD2-CA 3.28Å; D399-S407 WeakPolarHBondContact OD2-CB 3.31Å; D399-Q408 WeakPolarHBondContact OD2-CB 3.28Å; D399-Q408 PolarHBondContact OD2-N 3.3Å | ||
| 400 | A | 90.4 | Very high | 89.3 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -17.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | L138 T188 L189 K192 Q398 | L138-A400 WeakPolarHBondContact CD1-O 3.44Å; T188-A400 HydrophobicContact CG2-CB 4.45Å; L189-A400 HydrophobicContact CB-CB 3.73Å; L189-A400 HydrophobicContact CD1-CB 3.98Å; L189-A400 HydrophobicContact CG-CB 4.45Å; K192-A400 HydrophobicContact CD-CB 4.12Å; K192-A400 VanDerWaalsContact CD-O 3.31Å; K192-A400 WeakPolarHBondContact CD-O 3.39Å; K192-A400 WeakPolarHBondContact CE-O 3.35Å; K192-A400 PolarHBondContact NZ-O 3.48Å; Q398-A400 PolarHBondContact O-N 2.97Å |
| 401 | Q | 90.7 | Very high | 88.8 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 21.5 | 179.8 | -52.9 | -157.6 | -53.7 | 0 | 0 | 113.6 | L138 T188 D399 C404 F406 S407 | L138-Q401 HydrophobicContact CD2-CB 3.91Å; L138-Q401 HydrophobicContact CD2-CG 3.91Å; T188-Q401 HydrophobicContact CG2-CG 3.9Å; T188-Q401 PolarHBondContact OG1-NE2 3.3Å; D399-Q401 PolarHBondContact O-N 2.93Å; D399-Q401 PolarHBondContact OD1-N 2.96Å; Q401-C404 PolarHBondContact O-N 3.23Å; Q401-C404 PolarHBondContact O-SG 2.89Å; Q401-F406 PolarHBondContact OE1-O 3.47Å; Q401-S407 WeakPolarHBondContact O-CB 3.45Å |
| 402 | D | 88.6 | Confident | 88.3 | Confident | 110 Ų | 110 | 55.7 Ų | 55.7 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 148 | 176.4 | -163.7 | 30.8 | 0 | 0 | 0 | 112.3 | D399 C404 | D399-D402 HydrophobicContact CB-CB 4.17Å; D399-D402 WeakPolarHBondContact O-CB 3.35Å; D399-D402 PolarHBondContact O-N 3.2Å; D402-C404 PolarHBondContact O-N 2.78Å |
| 403 | G | 82.2 | Confident | 87.7 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 84% | 0.835 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | -11.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 404 | C | 84 | Confident | 87.1 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -102.9 | 164.1 | 176.3 | 91.6 | 0 | 0 | 0 | 0 | 112.9 | L138 Q401 D402 F406 S407 | L138-C404 HydrophobicContact CD2-CB 4.44Å; Q401-C404 PolarHBondContact O-N 3.23Å; Q401-C404 PolarHBondContact O-SG 2.89Å; D402-C404 PolarHBondContact O-N 2.78Å; C404-F406 PolarHBondContact O-N 2.84Å; C404-F406 PolarHBondContact SG-N 3.18Å; C404-S407 WeakPolarHBondContact O-CB 3.44Å; C404-S407 PolarHBondContact O-N 3.4Å; C404-S407 VanDerWaalsContact O-N 3.16Å; C404-S407 PolarHBondContact O-OG 3.4Å |
| 405 | M | 80.7 | Confident | 86.7 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -13.4 | 179.2 | 63.8 | -179.4 | -67.3 | 0 | 0 | 114.6 | I19 H23 T293 | I19-M405 HydrophobicContact CG2-CE 4.28Å; H23-M405 WeakPolarHBondContact NE2-CE 3.25Å; T293-M405 HydrophobicContact CG2-CE 3.85Å |
| 406 | F | 85.7 | Confident | 86.6 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 7.1 | -178.8 | -50.2 | -61.6 | 0 | 0 | 0 | 114.1 | F139 R184 A289 F290 T293 Q401 C404 L411 | F139-F406 AromaticContact CE2-CD2 3.83Å; F139-F406 HydrophobicContact CE2-CD2 3.83Å; F139-F406 HydrophobicContact CE2-CE2 4.14Å; F139-F406 HydrophobicContact CZ-CD2 4.05Å; R184-F406 PolarHBondContact NH2-O 3.39Å; A289-F406 HydrophobicContact CB-CD1 4.23Å; F290-F406 HydrophobicContact CD1-CE1 4.05Å; F290-F406 HydrophobicContact CE1-CD1 4.49Å; F290-F406 AromaticContact CE1-CE1 3.72Å; F290-F406 HydrophobicContact CE1-CE1 3.72Å; F290-F406 AromaticContact CE1-CZ 3.89Å; F290-F406 HydrophobicContact CE1-CZ 3.89Å; T293-F406 HydrophobicContact CG2-CE1 4.43Å; Q401-F406 PolarHBondContact OE1-O 3.47Å; C404-F406 PolarHBondContact O-N 2.84Å; C404-F406 PolarHBondContact SG-N 3.18Å; F406-L411 WeakPolarHBondContact O-CD1 3.39Å |
| 407 | S | 88.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -59.6 | 156.7 | 175.6 | 77.9 | 0 | 0 | 0 | 0 | 111.6 | D399 Q401 C404 S409 M410 L411 | D399-S407 WeakPolarHBondContact OD2-CA 3.28Å; D399-S407 WeakPolarHBondContact OD2-CB 3.31Å; Q401-S407 WeakPolarHBondContact O-CB 3.45Å; C404-S407 WeakPolarHBondContact O-CB 3.44Å; C404-S407 PolarHBondContact O-N 3.4Å; C404-S407 VanDerWaalsContact O-N 3.16Å; C404-S407 PolarHBondContact O-OG 3.4Å; S407-S409 VanDerWaalsContact C-N 3.27Å; S407-S409 PolarHBondContact O-N 2.96Å; S407-S409 PolarHBondContact OG-OG 2.93Å; S407-M410 PolarHBondContact O-N 2.73Å; S407-M410 WeakPolarHBondContact OG-CB 3.07Å; S407-M410 WeakPolarHBondContact OG-CG 3.42Å; S407-M410 PolarHBondContact OG-N 2.84Å; S407-L411 WeakPolarHBondContact O-CB 3.43Å; S407-L411 VanDerWaalsContact O-CG 3.32Å; S407-L411 WeakPolarHBondContact O-CG 3.3Å; S407-L411 PolarHBondContact O-N 3.11Å |
| 408 | Q | 88.1 | Confident | 86.9 | Confident | 137 Ų | 137 | 59.8 Ų | 59.8 | 64% | 0.64 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | 173.5 | -61.5 | -172.6 | 20.7 | 0 | 0 | 111.5 | D399 M410 L411 K412 | D399-Q408 WeakPolarHBondContact OD2-CB 3.28Å; D399-Q408 PolarHBondContact OD2-N 3.3Å; Q408-M410 VanDerWaalsContact C-N 3.27Å; Q408-M410 PolarHBondContact O-N 3.39Å; Q408-L411 PolarHBondContact O-N 3.44Å; Q408-K412 VanDerWaalsContact O-CB 3.25Å; Q408-K412 WeakPolarHBondContact O-CB 3.41Å; Q408-K412 PolarHBondContact O-N 2.83Å |
| 409 | S | 86.4 | Confident | 87.1 | Confident | 77 Ų | 77 | 55.7 Ų | 55.7 | 54% | 0.538 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 177.5 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | S407 | S407-S409 VanDerWaalsContact C-N 3.27Å; S407-S409 PolarHBondContact O-N 2.96Å; S407-S409 PolarHBondContact OG-OG 2.93Å |
| 410 | M | 81.6 | Confident | 87.4 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 20% | 0.197 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.3 | -38.9 | 176.7 | -68.9 | -66.6 | -101.1 | 0 | 0 | 112.3 | H15 S407 Q408 P413 | H15-M410 PolarHBondContact CE1-O 3.41Å; H15-M410 PolarHBondContact NE2-O 3.06Å; H15-M410 VanDerWaalsContact NE2-O 3.11Å; S407-M410 PolarHBondContact O-N 2.73Å; S407-M410 WeakPolarHBondContact OG-CB 3.07Å; S407-M410 WeakPolarHBondContact OG-CG 3.42Å; S407-M410 PolarHBondContact OG-N 2.84Å; Q408-M410 VanDerWaalsContact C-N 3.27Å; Q408-M410 PolarHBondContact O-N 3.39Å; M410-P413 VanDerWaalsContact O-CD 3.25Å; M410-P413 WeakPolarHBondContact O-CD 3.19Å |
| 411 | L | 86.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -85.6 | -16.4 | -176.2 | -63.8 | 179.5 | 0 | 0 | 0 | 114.6 | A289 F406 S407 Q408 P413 C414 | A289-L411 HydrophobicContact CB-CD1 4.06Å; A289-L411 HydrophobicContact CB-CD2 4.31Å; F406-L411 WeakPolarHBondContact O-CD1 3.39Å; S407-L411 WeakPolarHBondContact O-CB 3.43Å; S407-L411 VanDerWaalsContact O-CG 3.32Å; S407-L411 WeakPolarHBondContact O-CG 3.3Å; S407-L411 PolarHBondContact O-N 3.11Å; Q408-L411 PolarHBondContact O-N 3.44Å; L411-P413 VanDerWaalsContact C-CD 3.41Å; L411-C414 WeakPolarHBondContact O-CB 3.43Å; L411-C414 PolarHBondContact O-N 3.21Å |
| 412 | K | 86.8 | Confident | 87.7 | Confident | 179 Ų | 179 | 65.5 Ų | 65.5 | 78% | 0.778 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -37.8 | -178.7 | -176.7 | 173.1 | -177.1 | 175.7 | 0 | 114.4 | Q408 C414 | Q408-K412 VanDerWaalsContact O-CB 3.25Å; Q408-K412 WeakPolarHBondContact O-CB 3.41Å; Q408-K412 PolarHBondContact O-N 2.83Å; K412-C414 VanDerWaalsContact C-N 3.25Å; K412-C414 PolarHBondContact O-N 3.48Å |
| 413 | P | 83.1 | Confident | 88 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.6 | 177 | -18.4 | 33.7 | 0 | 0 | 0 | 114.4 | P12 M410 L411 P415 | P12-P413 HydrophobicContact CB-CB 4.4Å; P12-P413 WeakPolarHBondContact CB-O 3.35Å; P12-P413 HydrophobicContact CG-CB 4.14Å; P12-P413 WeakPolarHBondContact CG-O 3.48Å; M410-P413 VanDerWaalsContact O-CD 3.25Å; M410-P413 WeakPolarHBondContact O-CD 3.19Å; L411-P413 VanDerWaalsContact C-CD 3.41Å; P413-P415 WeakPolarHBondContact O-CD 3.3Å |
| 414 | C | 83.7 | Confident | 88.6 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -90.8 | 110.7 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | R288 L411 K412 | R288-C414 WeakPolarHBondContact CD-O 3.16Å; R288-C414 HydrophobicContact CG-CB 3.65Å; L411-C414 WeakPolarHBondContact O-CB 3.43Å; L411-C414 PolarHBondContact O-N 3.21Å; K412-C414 VanDerWaalsContact C-N 3.25Å; K412-C414 PolarHBondContact O-N 3.48Å |
| 415 | P | 86.2 | Confident | 89.1 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 152.7 | 179.4 | 29.5 | -34.7 | 0 | 0 | 0 | 111 | P413 | P413-P415 WeakPolarHBondContact O-CD 3.3Š|
| 416 | F | 90.1 | Very high | 89.9 | Confident | 55 Ų | 55 | 63.9 Ų | 63.9 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 144.2 | 171.1 | -73 | -62.9 | 0 | 0 | 0 | 111.2 | L284 R288 K418 F473 | L284-F416 HydrophobicContact CB-CD1 3.69Å; L284-F416 HydrophobicContact CB-CE1 3.98Å; L284-F416 HydrophobicContact CB-CG 4.48Å; L284-F416 HydrophobicContact CD2-CB 4.31Å; L284-F416 WeakPolarHBondContact O-CD1 3.01Å; L284-F416 WeakPolarHBondContact O-CE1 3.45Å; R288-F416 HydrophobicContact CB-CD1 4.22Å; R288-F416 HydrophobicContact CB-CE1 4.23Å; F416-K418 PolarHBondContact O-N 3.19Å; F416-F473 HydrophobicContact CD2-CD1 4.05Å; F416-F473 HydrophobicContact CD2-CE1 4.03Å; F416-F473 HydrophobicContact CE2-CE1 4.42Å |
| 417 | T | 91.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 63.2 Ų | 63.2 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 130.7 | 173.1 | -72.4 | 0 | 0 | 0 | 0 | 110.9 | L284 D287 F336 | L284-T417 WeakPolarHBondContact CD2-O 3.47Å; D287-T417 VanDerWaalsContact OD2-CB 3.25Å; D287-T417 WeakPolarHBondContact OD2-CB 3.14Å; D287-T417 PolarHBondContact OD2-OG1 2.86Å; F336-T417 HydrophobicContact CB-CG2 4.01Å; F336-T417 HydrophobicContact CD2-CG2 4.01Å; F336-T417 HydrophobicContact CG-CG2 3.93Å |
| 418 | K | 92.6 | Very high | 90.7 | Very high | 124 Ų | 124 | 63.6 Ų | 63.6 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 128.1 | 171.2 | -62.4 | -171.5 | -180 | -153.1 | 0 | 109.1 | F416 Q423 F473 | F416-K418 PolarHBondContact O-N 3.19Å; K418-Q423 PolarHBondContact O-OE1 2.98Å; K418-F473 WeakPolarHBondContact CE-O 3.3Å; K418-F473 PolarHBondContact NZ-O 3.19Å |
| 419 | I | 93.4 | Very high | 91.1 | Very high | 52 Ų | 52 | 64.6 Ų | 64.6 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 117.1 | -178 | -55.1 | 172.6 | 0 | 0 | 0 | 108.4 | L280 F336 Q423 K424 V440 | L280-I419 HydrophobicContact CD1-CD1 3.4Å; L280-I419 VanDerWaalsContact CD1-CD1 3.4Å; F336-I419 HydrophobicContact CE1-CD1 4.06Å; F336-I419 HydrophobicContact CE1-CG1 3.98Å; F336-I419 HydrophobicContact CE2-CD1 4.22Å; F336-I419 HydrophobicContact CE2-CG1 4.34Å; F336-I419 HydrophobicContact CZ-CD1 3.46Å; F336-I419 VanDerWaalsContact CZ-CD1 3.46Å; F336-I419 HydrophobicContact CZ-CG1 3.72Å; I419-Q423 HydrophobicContact CG2-CB 4.01Å; I419-K424 HydrophobicContact CG2-CB 4.21Å; I419-V440 HydrophobicContact CD1-CG2 4.13Å |
| 420 | S | 94.4 | Very high | 91.7 | Very high | 53 Ų | 53 | 61 Ų | 61 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 160.4 | 174.5 | 77.5 | 0 | 0 | 0 | 0 | 111.7 | E422 Q423 K424 | S420-E422 VanDerWaalsContact C-N 3.27Å; S420-E422 PolarHBondContact O-N 3.45Å; S420-Q423 WeakPolarHBondContact O-CB 3.47Å; S420-Q423 PolarHBondContact O-N 3.17Å; S420-Q423 WeakPolarHBondContact OG-CB 3.16Å; S420-Q423 WeakPolarHBondContact OG-CG 3.41Å; S420-Q423 PolarHBondContact OG-N 3.27Å; S420-Q423 VanDerWaalsContact OG-N 3.09Å; S420-Q423 PolarHBondContact OG-OE1 3.37Å; S420-K424 PolarHBondContact O-N 2.54Å |
| 421 | T | 93.8 | Very high | 92.4 | Very high | 113 Ų | 113 | 59 Ų | 59 | 69% | 0.693 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.3 | -41.3 | 174.4 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | K424 L425 | T421-K424 PolarHBondContact O-N 3.21Å; T421-L425 HydrophobicContact CG2-CD1 4.48Å; T421-L425 WeakPolarHBondContact O-CG 3.25Å; T421-L425 PolarHBondContact O-N 3.38Å |
| 422 | E | 95.1 | Very high | 92.8 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 177 | -163.1 | -155.6 | 149.5 | 0 | 0 | 111.7 | K332 S420 L425 R426 | K332-E422 IonicContact NZ-OE1 2.84Å; K332-E422 PolarHBondContact NZ-OE1 3.28Å; K332-E422 IonicContact NZ-OE2 3.96Å; S420-E422 VanDerWaalsContact C-N 3.27Å; S420-E422 PolarHBondContact O-N 3.45Å; E422-L425 PolarHBondContact O-N 2.64Å; E422-R426 VanDerWaalsContact CG-NH1 3.31Å; E422-R426 PolarHBondContact O-N 3.34Å; E422-R426 VanDerWaalsContact O-N 3.13Å; E422-R426 IonicContact OE1-CZ 2.66Å; E422-R426 IonicContact OE1-NH1 3.88Å; E422-R426 PolarHBondContact OE1-NH1 3.11Å; E422-R426 IonicContact OE2-NH1 2.66Å |
| 423 | Q | 94.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.7 | -78.8 | 175.8 | -45.1 | 0 | 0 | 111.4 | K418 I419 S420 L425 R426 I427 | K418-Q423 PolarHBondContact O-OE1 2.98Å; I419-Q423 HydrophobicContact CG2-CB 4.01Å; S420-Q423 WeakPolarHBondContact O-CB 3.47Å; S420-Q423 PolarHBondContact O-N 3.17Å; S420-Q423 WeakPolarHBondContact OG-CB 3.16Å; S420-Q423 WeakPolarHBondContact OG-CG 3.41Å; S420-Q423 PolarHBondContact OG-N 3.27Å; S420-Q423 VanDerWaalsContact OG-N 3.09Å; S420-Q423 PolarHBondContact OG-OE1 3.37Å; Q423-L425 VanDerWaalsContact C-N 3.33Å; Q423-L425 PolarHBondContact O-N 3.19Å; Q423-R426 VanDerWaalsContact CG-NH2 3.3Å; Q423-R426 PolarHBondContact O-N 3.04Å; Q423-I427 WeakPolarHBondContact O-CB 3.45Å; Q423-I427 WeakPolarHBondContact O-CD1 3.25Å; Q423-I427 VanDerWaalsContact O-CG1 3.29Å; Q423-I427 WeakPolarHBondContact O-CG1 3.25Å; Q423-I427 PolarHBondContact O-N 3.14Å |
| 424 | K | 94.6 | Very high | 94 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 21% | 0.213 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56 | -47 | 176.8 | 178.7 | 176.1 | -178.1 | 172.8 | 0 | 111.6 | I419 S420 T421 I427 N428 V440 P441 | I419-K424 HydrophobicContact CG2-CB 4.21Å; S420-K424 PolarHBondContact O-N 2.54Å; T421-K424 PolarHBondContact O-N 3.21Å; K424-I427 PolarHBondContact O-N 3.04Å; K424-N428 WeakPolarHBondContact O-CB 3.47Å; K424-N428 PolarHBondContact O-N 3.11Å; K424-V440 HydrophobicContact CD-CB 4.05Å; K424-V440 HydrophobicContact CD-CG1 3.7Å; K424-V440 VanDerWaalsContact CE-CG1 3.41Å; K424-V440 WeakPolarHBondContact CE-O 3.38Å; K424-V440 HydrophobicContact CG-CB 3.99Å; K424-V440 HydrophobicContact CG-CG1 4.19Å; K424-V440 HydrophobicContact CG-CG2 4.46Å; K424-P441 PolarHBondContact NZ-O 3.22Å |
| 425 | L | 94.5 | Very high | 94.5 | Very high | 95 Ų | 95 | 59.7 Ų | 59.7 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 179.2 | -73.2 | 169.2 | 0 | 0 | 0 | 112.2 | T421 E422 Q423 N428 R429 | T421-L425 HydrophobicContact CG2-CD1 4.48Å; T421-L425 WeakPolarHBondContact O-CG 3.25Å; T421-L425 PolarHBondContact O-N 3.38Å; E422-L425 PolarHBondContact O-N 2.64Å; Q423-L425 VanDerWaalsContact C-N 3.33Å; Q423-L425 PolarHBondContact O-N 3.19Å; L425-N428 PolarHBondContact O-N 3.06Å; L425-R429 WeakPolarHBondContact O-CG 3.33Å; L425-R429 PolarHBondContact O-N 3.34Å |
| 426 | R | 96.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 176.7 | -74.9 | -163.9 | -47.6 | -85.8 | -1.4 | 112.5 | Y330 L331 E337 E422 Q423 N428 R429 F430 | Y330-R426 WeakPolarHBondContact O-CB 3.18Å; Y330-R426 VanDerWaalsContact O-CD 3.25Å; Y330-R426 WeakPolarHBondContact O-CD 3.25Å; Y330-R426 WeakPolarHBondContact O-CG 3.3Å; L331-R426 HydrophobicContact CD2-CB 4.45Å; E337-R426 IonicContact OE1-CZ 3.78Å; E337-R426 IonicContact OE1-NE 2.58Å; E337-R426 IonicContact OE1-NH2 3.6Å; E337-R426 PolarHBondContact OE1-NH2 3.28Å; E337-R426 IonicContact OE2-NE 2.75Å; E337-R426 IonicContact OE2-NH2 2.8Å; E422-R426 VanDerWaalsContact CG-NH1 3.31Å; E422-R426 PolarHBondContact O-N 3.34Å; E422-R426 VanDerWaalsContact O-N 3.13Å; E422-R426 IonicContact OE1-CZ 2.66Å; E422-R426 IonicContact OE1-NH1 3.88Å; E422-R426 PolarHBondContact OE1-NH1 3.11Å; E422-R426 IonicContact OE2-NH1 2.66Å; Q423-R426 VanDerWaalsContact CG-NH2 3.3Å; Q423-R426 PolarHBondContact O-N 3.04Å; R426-N428 VanDerWaalsContact C-N 3.35Å; R426-N428 PolarHBondContact O-N 3.1Å; R426-R429 PolarHBondContact O-N 2.84Å; R426-F430 PolarHBondContact O-N 2.88Å |
| 427 | I | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -42 | 178.7 | -69.7 | 164.5 | 0 | 0 | 0 | 111.2 | L331 F336 E337 V340 Q423 K424 F430 C431 L439 | L331-I427 HydrophobicContact CD2-CG1 3.89Å; F336-I427 HydrophobicContact CD1-CD1 4.26Å; F336-I427 HydrophobicContact CE1-CD1 3.57Å; E337-I427 HydrophobicContact CG-CD1 4.43Å; V340-I427 HydrophobicContact CG1-CG2 4.17Å; V340-I427 HydrophobicContact CG2-CD1 4.14Å; V340-I427 HydrophobicContact CG2-CG1 4.37Å; Q423-I427 WeakPolarHBondContact O-CB 3.45Å; Q423-I427 WeakPolarHBondContact O-CD1 3.25Å; Q423-I427 VanDerWaalsContact O-CG1 3.29Å; Q423-I427 WeakPolarHBondContact O-CG1 3.25Å; Q423-I427 PolarHBondContact O-N 3.14Å; K424-I427 PolarHBondContact O-N 3.04Å; I427-F430 WeakPolarHBondContact O-CB 3.45Å; I427-F430 PolarHBondContact O-N 3.42Å; I427-C431 PolarHBondContact O-N 2.9Å; I427-C431 PolarHBondContact O-SG 2.87Å; I427-L439 HydrophobicContact CG2-CB 4.1Å; I427-L439 HydrophobicContact CG2-CD1 3.79Å; I427-L439 HydrophobicContact CG2-CD2 4.25Å; I427-L439 HydrophobicContact CG2-CG 4.3Å |
| 428 | N | 95.1 | Very high | 95 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 177.3 | -74.2 | -3.9 | 0 | 0 | 0 | 111.6 | K424 L425 R426 F430 C431 D432 R438 V440 | K424-N428 WeakPolarHBondContact O-CB 3.47Å; K424-N428 PolarHBondContact O-N 3.11Å; L425-N428 PolarHBondContact O-N 3.06Å; R426-N428 VanDerWaalsContact C-N 3.35Å; R426-N428 PolarHBondContact O-N 3.1Å; N428-F430 VanDerWaalsContact C-N 3.31Å; N428-F430 PolarHBondContact O-N 2.82Å; N428-C431 PolarHBondContact O-N 3.46Å; N428-D432 WeakPolarHBondContact O-CB 3.29Å; N428-D432 PolarHBondContact O-N 3.29Å; N428-R438 HydrophobicContact CB-CG 4.36Å; N428-V440 PolarHBondContact ND2-O 2.76Å |
| 429 | R | 96.7 | Very high | 94.6 | Very high | 158 Ų | 158 | 52.3 Ų | 52.3 | 60% | 0.596 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.3 | -41.7 | 173.2 | -71.9 | 178.1 | -175.6 | 179.3 | 0.7 | 112.4 | Y330 L425 R426 D432 A433 | Y330-R429 HydrophobicContact CD1-CB 3.92Å; Y330-R429 HydrophobicContact CE1-CB 4.31Å; Y330-R429 HydrophobicContact CG-CB 4.38Å; L425-R429 WeakPolarHBondContact O-CG 3.33Å; L425-R429 PolarHBondContact O-N 3.34Å; R426-R429 PolarHBondContact O-N 2.84Å; R429-D432 PolarHBondContact O-N 3.27Å; R429-A433 WeakPolarHBondContact O-CB 3.33Å; R429-A433 PolarHBondContact O-N 3.44Å |
| 430 | F | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.5 | 169.9 | -104.6 | 0 | 0 | 0 | 112.2 | V323 C326 A327 Y330 L331 V340 V341 A344 R426 I427 N428 A433 L434 | V323-F430 HydrophobicContact CG1-CZ 4.18Å; C326-F430 HydrophobicContact CB-CD2 3.89Å; C326-F430 HydrophobicContact CB-CE2 3.87Å; A327-F430 HydrophobicContact CB-CE2 3.89Å; Y330-F430 HydrophobicContact CD2-CB 4.43Å; Y330-F430 HydrophobicContact CG-CB 4.46Å; L331-F430 HydrophobicContact CD1-CB 4.38Å; L331-F430 HydrophobicContact CD1-CD1 3.9Å; L331-F430 HydrophobicContact CD1-CD2 3.96Å; L331-F430 HydrophobicContact CD1-CE1 4.09Å; L331-F430 HydrophobicContact CD1-CE2 4.17Å; L331-F430 HydrophobicContact CD1-CG 3.81Å; L331-F430 HydrophobicContact CD1-CZ 4.22Å; L331-F430 HydrophobicContact CD2-CB 3.92Å; L331-F430 HydrophobicContact CD2-CG 4.25Å; L331-F430 HydrophobicContact CG-CB 4.05Å; L331-F430 HydrophobicContact CG-CD1 4.48Å; L331-F430 HydrophobicContact CG-CD2 4.15Å; L331-F430 HydrophobicContact CG-CG 3.98Å; V340-F430 HydrophobicContact CG1-CD1 3.94Å; V340-F430 HydrophobicContact CG1-CE1 3.86Å; V341-F430 HydrophobicContact CG2-CZ 4.47Å; A344-F430 HydrophobicContact CB-CE1 3.65Å; A344-F430 HydrophobicContact CB-CZ 3.79Å; R426-F430 PolarHBondContact O-N 2.88Å; I427-F430 WeakPolarHBondContact O-CB 3.45Å; I427-F430 PolarHBondContact O-N 3.42Å; N428-F430 VanDerWaalsContact C-N 3.31Å; N428-F430 PolarHBondContact O-N 2.82Å; F430-A433 PolarHBondContact O-N 2.93Å; F430-L434 HydrophobicContact CD1-CD1 4.38Å; F430-L434 HydrophobicContact CD2-CD1 4.14Å; F430-L434 HydrophobicContact CE1-CD1 3.77Å; F430-L434 HydrophobicContact CE2-CD1 3.48Å; F430-L434 VanDerWaalsContact CE2-CD1 3.48Å; F430-L434 HydrophobicContact CE2-CG 4.31Å; F430-L434 HydrophobicContact CZ-CD1 3.28Å; F430-L434 HydrophobicContact CZ-CG 4.49Å; F430-L434 WeakPolarHBondContact O-CG 3.49Å; F430-L434 PolarHBondContact O-N 2.95Å |
| 431 | C | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 177.7 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | I427 N428 A433 L434 H435 L436 L439 | I427-C431 PolarHBondContact O-N 2.9Å; I427-C431 PolarHBondContact O-SG 2.87Å; N428-C431 PolarHBondContact O-N 3.46Å; C431-A433 VanDerWaalsContact C-N 3.3Å; C431-A433 PolarHBondContact O-N 3.4Å; C431-L434 CarbonylContact O-C 3.46Å; C431-L434 PolarHBondContact O-N 3.13Å; C431-L434 VanDerWaalsContact O-N 3.1Å; C431-H435 PolarHBondContact O-N 3.28Å; C431-L436 HydrophobicContact CB-CB 4.4Å; C431-L436 PolarHBondContact O-N 2.73Å; C431-L439 WeakPolarHBondContact SG-CD1 3.48Å |
| 432 | D | 96.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 51 Ų | 51 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 179 | -66 | -13.4 | 0 | 0 | 0 | 110.4 | N428 R429 L434 H435 R438 | N428-D432 WeakPolarHBondContact O-CB 3.29Å; N428-D432 PolarHBondContact O-N 3.29Å; R429-D432 PolarHBondContact O-N 3.27Å; D432-L434 VanDerWaalsContact C-N 3.26Å; D432-L434 PolarHBondContact O-N 2.8Å; D432-H435 PolarHBondContact O-N 3.41Å; D432-H435 VanDerWaalsContact O-N 3.13Å; D432-R438 WeakPolarHBondContact OD1-CG 3.48Å; D432-R438 IonicContact OD1-CZ 2.73Å; D432-R438 IonicContact OD1-NE 2.78Å; D432-R438 PolarHBondContact OD1-NE 3.31Å; D432-R438 IonicContact OD1-NH2 3.78Å; D432-R438 IonicContact OD2-CZ 3.7Å; D432-R438 IonicContact OD2-NE 3.93Å; D432-R438 PolarHBondContact OD2-NE 3.04Å; D432-R438 IonicContact OD2-NH2 3.99Å; D432-R438 PolarHBondContact OD2-NH2 3.48Å |
| 433 | A | 97.2 | Very high | 89.3 | Confident | 27 Ų | 27 | 51 Ų | 51 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -26.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y330 R429 F430 C431 | Y330-A433 HydrophobicContact CD2-CB 4.15Å; Y330-A433 HydrophobicContact CE2-CB 3.43Å; Y330-A433 VanDerWaalsContact CE2-CB 3.43Å; R429-A433 WeakPolarHBondContact O-CB 3.33Å; R429-A433 PolarHBondContact O-N 3.44Å; F430-A433 PolarHBondContact O-N 2.93Å; C431-A433 VanDerWaalsContact C-N 3.3Å; C431-A433 PolarHBondContact O-N 3.4Å |
| 434 | L | 96.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3.6 | 175.8 | -68.4 | 179.3 | 0 | 0 | 0 | 113.2 | H322 V323 C326 A344 I348 F430 C431 D432 L436 | H322-L434 VanDerWaalsContact CD2-CD2 3.47Å; H322-L434 WeakPolarHBondContact CD2-CD2 3.42Å; V323-L434 HydrophobicContact CG1-CD1 4.39Å; V323-L434 HydrophobicContact CG2-CD1 4.22Å; V323-L434 HydrophobicContact CG2-CD2 4.21Å; C326-L434 HydrophobicContact CB-CD2 3.93Å; C326-L434 HydrophobicContact CB-CG 4.15Å; A344-L434 HydrophobicContact CB-CD1 4.02Å; I348-L434 HydrophobicContact CD1-CB 4.24Å; I348-L434 HydrophobicContact CD1-CD1 4Å; I348-L434 HydrophobicContact CD1-CD2 4.08Å; I348-L434 HydrophobicContact CD1-CG 4.35Å; F430-L434 HydrophobicContact CD1-CD1 4.38Å; F430-L434 HydrophobicContact CD2-CD1 4.14Å; F430-L434 HydrophobicContact CE1-CD1 3.77Å; F430-L434 HydrophobicContact CE2-CD1 3.48Å; F430-L434 VanDerWaalsContact CE2-CD1 3.48Å; F430-L434 HydrophobicContact CE2-CG 4.31Å; F430-L434 HydrophobicContact CZ-CD1 3.28Å; F430-L434 HydrophobicContact CZ-CG 4.49Å; F430-L434 WeakPolarHBondContact O-CG 3.49Å; F430-L434 PolarHBondContact O-N 2.95Å; C431-L434 CarbonylContact O-C 3.46Å; C431-L434 PolarHBondContact O-N 3.13Å; C431-L434 VanDerWaalsContact O-N 3.1Å; D432-L434 VanDerWaalsContact C-N 3.26Å; D432-L434 PolarHBondContact O-N 2.8Å; L434-L436 HydrophobicContact CB-CD1 4.01Å; L434-L436 HydrophobicContact CB-CG 3.83Å; L434-L436 HydrophobicContact CD1-CD1 4.1Å; L434-L436 PolarHBondContact O-N 2.68Å |
| 435 | H | 95.4 | Very high | 84.2 | Confident | 158 Ų | 158 | 65.3 Ų | 65.3 | 73% | 0.731 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.3 | -172.3 | -53.3 | -63.7 | 0 | 0 | 0 | 113.6 | C431 D432 | C431-H435 PolarHBondContact O-N 3.28Å; D432-H435 PolarHBondContact O-N 3.41Å; D432-H435 VanDerWaalsContact O-N 3.13Å |
| 436 | L | 94.6 | Very high | 81.4 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 154.4 | 178.5 | -65.3 | -177.3 | 0 | 0 | 0 | 112 | W343 A344 L347 I348 L351 C431 L434 R438 | W343-L436 HydrophobicContact CH2-CB 4.06Å; W343-L436 HydrophobicContact CH2-CD1 4.14Å; W343-L436 HydrophobicContact CZ3-CB 4.47Å; W343-L436 HydrophobicContact CZ3-CD1 3.96Å; A344-L436 HydrophobicContact CB-CD1 3.64Å; L347-L436 HydrophobicContact CD2-CD1 4.44Å; L347-L436 HydrophobicContact CD2-CD2 3.84Å; L347-L436 HydrophobicContact CG-CD2 4Å; I348-L436 HydrophobicContact CD1-CD1 4.02Å; I348-L436 HydrophobicContact CD1-CG 4.47Å; I348-L436 HydrophobicContact CG1-CD1 4.12Å; I348-L436 HydrophobicContact CG1-CD2 3.97Å; I348-L436 HydrophobicContact CG1-CG 4.38Å; L351-L436 HydrophobicContact CD1-CD2 3.86Å; C431-L436 HydrophobicContact CB-CB 4.4Å; C431-L436 PolarHBondContact O-N 2.73Å; L434-L436 HydrophobicContact CB-CD1 4.01Å; L434-L436 HydrophobicContact CB-CG 3.83Å; L434-L436 HydrophobicContact CD1-CD1 4.1Å; L434-L436 PolarHBondContact O-N 2.68Å; L436-R438 PolarHBondContact O-N 3.42Å |
| 437 | P | 90.7 | Very high | 78.5 | Confident | 20 Ų | 20 | 77 Ų | 77 | 13% | 0.13 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -53 | 132.3 | 169 | -28.1 | 36.9 | 0 | 0 | 0 | 112.3 | W343 L439 L462 | W343-P437 WeakPolarHBondContact CH2-O 3.48Å; P437-L439 PolarHBondContact O-N 3.49Å; P437-L462 HydrophobicContact CB-CD2 3.69Å; P437-L462 HydrophobicContact CG-CG 4.3Å; P437-L462 HydrophobicContact CG-CD2 3.79Å |
| 438 | R | 91.4 | Very high | 75.5 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 126.1 | 174.6 | -68.6 | 177.2 | 173.6 | -172.4 | -5.5 | 110.4 | N428 D432 L436 V440 E442 | N428-R438 HydrophobicContact CB-CG 4.36Å; D432-R438 WeakPolarHBondContact OD1-CG 3.48Å; D432-R438 IonicContact OD1-CZ 2.73Å; D432-R438 IonicContact OD1-NE 2.78Å; D432-R438 PolarHBondContact OD1-NE 3.31Å; D432-R438 IonicContact OD1-NH2 3.78Å; D432-R438 IonicContact OD2-CZ 3.7Å; D432-R438 IonicContact OD2-NE 3.93Å; D432-R438 PolarHBondContact OD2-NE 3.04Å; D432-R438 IonicContact OD2-NH2 3.99Å; D432-R438 PolarHBondContact OD2-NH2 3.48Å; L436-R438 PolarHBondContact O-N 3.42Å; R438-V440 PolarHBondContact O-N 2.89Å; R438-V440 VanDerWaalsContact C-N 3.32Å; R438-E442 IonicContact CZ-OE1 3.02Å; R438-E442 IonicContact NH1-OE1 3.45Å; R438-E442 PolarHBondContact NH1-OE1 2.95Å |
| 439 | L | 84.9 | Confident | 72.6 | Confident | 7 Ų | 7 | 88.3 Ų | 88.3 | 4% | 0.037 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -61.4 | -40.2 | -180 | -81.7 | 79.9 | 0 | 0 | 0 | 112.7 | P279 L280 V283 V340 W343 I427 C431 P437 P441 | P279-L439 HydrophobicContact CB-CG 4.15Å; L280-L439 WeakPolarHBondContact CB-O 3.38Å; V283-L439 HydrophobicContact CB-CD2 4.29Å; V283-L439 HydrophobicContact CG2-CD2 3.73Å; V340-L439 HydrophobicContact CB-CD2 4.45Å; V340-L439 HydrophobicContact CG1-CD1 4.16Å; V340-L439 HydrophobicContact CG1-CD2 4.09Å; V340-L439 HydrophobicContact CG2-CD2 3.82Å; W343-L439 HydrophobicContact CD2-CD1 4.35Å; W343-L439 HydrophobicContact CE3-CD1 3.58Å; W343-L439 HydrophobicContact CE3-CD2 4.43Å; W343-L439 HydrophobicContact CE3-CG 4.2Å; W343-L439 HydrophobicContact CH2-CD1 3.57Å; W343-L439 HydrophobicContact CH2-CG 4.3Å; W343-L439 HydrophobicContact CZ2-CD1 4.34Å; W343-L439 HydrophobicContact CZ3-CD1 3.16Å; W343-L439 HydrophobicContact CZ3-CG 4.11Å; I427-L439 HydrophobicContact CG2-CB 4.1Å; I427-L439 HydrophobicContact CG2-CD1 3.79Å; I427-L439 HydrophobicContact CG2-CD2 4.25Å; I427-L439 HydrophobicContact CG2-CG 4.3Å; C431-L439 WeakPolarHBondContact SG-CD1 3.48Å; P437-L439 PolarHBondContact O-N 3.49Å; L439-P441 WeakPolarHBondContact O-CD 3.39Å |
| 440 | V | 77.9 | Confident | 69.4 | Low | 13 Ų | 13 | 88.6 Ų | 88.6 | 8% | 0.079 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -113.2 | 99.6 | -179.6 | -168.5 | 0 | 0 | 0 | 0 | 106.8 | L280 I419 K424 N428 R438 E442 | L280-V440 HydrophobicContact CD1-CG2 4.24Å; L280-V440 HydrophobicContact CD2-CG2 4.3Å; I419-V440 HydrophobicContact CD1-CG2 4.13Å; K424-V440 HydrophobicContact CD-CB 4.05Å; K424-V440 HydrophobicContact CD-CG1 3.7Å; K424-V440 VanDerWaalsContact CE-CG1 3.41Å; K424-V440 WeakPolarHBondContact CE-O 3.38Å; K424-V440 HydrophobicContact CG-CB 3.99Å; K424-V440 HydrophobicContact CG-CG1 4.19Å; K424-V440 HydrophobicContact CG-CG2 4.46Å; N428-V440 PolarHBondContact ND2-O 2.76Å; R438-V440 PolarHBondContact O-N 2.89Å; R438-V440 VanDerWaalsContact C-N 3.32Å; V440-E442 PolarHBondContact O-N 3.45Å |
| 441 | P | 68.4 | Low | 66.2 | Low | 62 Ų | 62 | 98.5 Ų | 98.5 | 40% | 0.403 | 49% | 0.49 | S | S | . | . | trans | -50.4 | 141.6 | 175.4 | -24.3 | 32 | 0 | 0 | 0 | 109.9 | K424 L439 S443 | K424-P441 PolarHBondContact NZ-O 3.22Å; L439-P441 WeakPolarHBondContact O-CD 3.39Å; P441-S443 PolarHBondContact O-N 3.34Å | ||
| 442 | E | 66.5 | Low | 63.2 | Low | 116 Ų | 116 | 107.6 Ų | 107.6 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | trans | -60.2 | 132.4 | 160.9 | -73.2 | 179.4 | -159.4 | 0 | 0 | 106.7 | R438 V440 R444 | R438-E442 IonicContact CZ-OE1 3.02Å; R438-E442 IonicContact NH1-OE1 3.45Å; R438-E442 PolarHBondContact NH1-OE1 2.95Å; V440-E442 PolarHBondContact O-N 3.45Å; E442-R444 PolarHBondContact O-N 3.25Å | ||
| 443 | S | 52.3 | Low | 60.3 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -69.4 | 79.2 | 174.6 | 52.3 | 0 | 0 | 0 | 0 | 107.1 | P441 | P441-S443 PolarHBondContact O-N 3.34Š|
| 444 | R | 44.5 | Very low | 57.6 | Low | 210 Ų | 210 | 116.8 Ų | 116.8 | 79% | 0.792 | 58% | 0.582 | S | S | * | * | trans | -170.5 | 139.8 | 170.1 | -106 | 152.3 | -161.8 | -150.4 | 3.8 | 113.6 | E442 | E442-R444 PolarHBondContact O-N 3.25Š| ||
| 445 | E | 38.7 | Very low | 55.3 | Low | 169 Ų | 169 | 121.2 Ų | 121.2 | 79% | 0.79 | 60% | 0.601 | S | S | * | * | trans | 65 | 124.6 | 154 | -72.2 | 166.3 | -168.6 | 0 | 0 | 118.8 | V447 | E445-V447 PolarHBondContact O-N 3.39Š| ||
| 446 | R | 35.6 | Very low | 53.6 | Low | 245 Ų | 245 | 115.8 Ų | 115.8 | 93% | 0.925 | 58% | 0.581 | S | S | * | * | trans | -60.7 | 99.7 | 173.7 | -66.4 | 176.3 | -173.8 | 177.3 | 1.4 | 108.4 | T448 | R446-T448 PolarHBondContact O-N 2.82Š| ||
| 447 | V | 36.2 | Very low | 51.7 | Low | 128 Ų | 128 | 116.7 Ų | 116.7 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | trans | -72.7 | 113.6 | 166.5 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | E445 V449 | E445-V447 PolarHBondContact O-N 3.39Å; V447-V449 PolarHBondContact O-N 3.49Å | ||
| 448 | T | 33.1 | Very low | 50.1 | Low | 132 Ų | 132 | 118.6 Ų | 118.6 | 81% | 0.81 | 60% | 0.596 | S | S | * | * | trans | -66.3 | 107.3 | 174.3 | -18.9 | 0 | 0 | 0 | 0 | 108.6 | R446 L450 | R446-T448 PolarHBondContact O-N 2.82Å; T448-L450 PolarHBondContact O-N 3.17Å | ||
| 449 | V | 34.3 | Very low | 48.4 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 70% | 0.697 | 60% | 0.596 | S | S | * | * | trans | -70.3 | 113.5 | -179.9 | -179 | 0 | 0 | 0 | 0 | 109.5 | V447 K451 | V447-V449 PolarHBondContact O-N 3.49Å; V449-K451 PolarHBondContact O-N 3.41Å | ||
| 450 | L | 29.7 | Very low | 47 | Very low | 164 Ų | 164 | 120.4 Ų | 120.4 | 86% | 0.859 | 61% | 0.612 | S | S | * | * | trans | -65.7 | 119.7 | 170.6 | -94.5 | 149.8 | 0 | 0 | 0 | 110 | T448 K452 | T448-L450 PolarHBondContact O-N 3.17Å; L450-K452 PolarHBondContact O-N 2.82Å | ||
| 451 | K | 28.9 | Very low | 45.9 | Very low | 208 Ų | 208 | 120.7 Ų | 120.7 | 90% | 0.904 | 61% | 0.613 | S | S | * | * | trans | -75.8 | 102.4 | 175 | -70.5 | 178 | 177.4 | 177.9 | 0 | 110.1 | V449 | V449-K451 PolarHBondContact O-N 3.41Š| ||
| 452 | K | 34.3 | Very low | 45.2 | Very low | 192 Ų | 192 | 122.4 Ų | 122.4 | 84% | 0.835 | 62% | 0.619 | S | S | * | * | trans | -140.2 | 156.9 | 158.2 | -85.2 | -167 | 177.5 | 178.8 | 0 | 112.4 | L450 | L450-K452 PolarHBondContact O-N 2.82Š| ||
| 453 | S | 35 | Very low | 44.2 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -31.2 | 150.6 | -177.5 | 53.5 | 0 | 0 | 0 | 0 | 118.2 | ||
| 454 | L | 40.6 | Very low | 43.8 | Very low | 176 Ų | 176 | 116.7 Ų | 116.7 | 92% | 0.921 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 36.2 | 78 | 171.8 | -85.8 | 154.6 | 0 | 0 | 0 | 112.6 | S456 | L454-S456 PolarHBondContact O-N 3.02Å; L454-S456 VanDerWaalsContact O-N 3.11Å |
| 455 | K | 47.8 | Very low | 43.5 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | trans | -48.4 | 119.4 | 178.7 | -73.5 | 164.5 | 172.3 | -172.8 | 0 | 108.8 | D459 L460 Q463 | K455-D459 HydrophobicContact CB-CB 3.9Å; K455-D459 HydrophobicContact CG-CB 4.28Å; K455-L460 HydrophobicContact CB-CD2 4.11Å; K455-L460 HydrophobicContact CB-CG 4.13Å; K455-L460 HydrophobicContact CD-CD2 4.15Å; K455-Q463 VanDerWaalsContact NZ-CD 3.3Å; K455-Q463 VanDerWaalsContact NZ-NE2 3.16Å | ||
| 456 | S | 60 | Low | 43.4 | Very low | 43 Ų | 43 | 108.9 Ų | 108.9 | 30% | 0.301 | 57% | 0.567 | S | S | . | * | trans | -54.1 | 153.4 | 173 | 69.2 | 0 | 0 | 0 | 0 | 108.8 | L454 I458 D459 L460 | L454-S456 PolarHBondContact O-N 3.02Å; L454-S456 VanDerWaalsContact O-N 3.11Å; S456-I458 PolarHBondContact O-N 3.09Å; S456-D459 WeakPolarHBondContact CB-OD2 3.46Å; S456-D459 PolarHBondContact N-OD2 3.43Å; S456-D459 WeakPolarHBondContact O-CA 3.36Å; S456-D459 WeakPolarHBondContact O-CB 3.38Å; S456-D459 PolarHBondContact O-N 2.85Å; S456-D459 PolarHBondContact OG-N 2.78Å; S456-D459 VanDerWaalsContact OG-N 3.12Å; S456-D459 PolarHBondContact OG-OD2 3.5Å; S456-L460 VanDerWaalsContact O-N 3.13Å; S456-L460 PolarHBondContact O-N 3.35Å | ||
| 457 | P | 55.3 | Low | 43 | Very low | 30 Ų | 30 | 103.7 Ų | 103.7 | 20% | 0.195 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -50.7 | -29.9 | 173.4 | -29.9 | 36.9 | 0 | 0 | 0 | 112.9 | Y350 L351 A354 L461 | Y350-P457 HydrophobicContact CE1-CB 4.38Å; L351-P457 HydrophobicContact CD2-CB 3.58Å; A354-P457 HydrophobicContact CB-CB 4.43Å; A354-P457 HydrophobicContact CB-CG 4.2Å; P457-L461 WeakPolarHBondContact O-CD1 3.38Å; P457-L461 PolarHBondContact O-N 3.4Å; P457-L461 WeakPolarHBondContact O-CG 3.49Å; P457-L461 VanDerWaalsContact O-CG 3.29Å |
| 458 | I | 57.8 | Low | 42.8 | Very low | 60 Ų | 60 | 106.6 Ų | 106.6 | 31% | 0.308 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.5 | -45 | 172.9 | -62.1 | 176.5 | 0 | 0 | 0 | 111.7 | L351 S456 L460 L461 L462 | L351-I458 HydrophobicContact CD1-CG1 4.12Å; L351-I458 HydrophobicContact CD2-CG1 3.86Å; S456-I458 PolarHBondContact O-N 3.09Å; I458-L460 VanDerWaalsContact C-N 3.27Å; I458-L460 PolarHBondContact O-N 3.18Å; I458-L461 WeakPolarHBondContact O-CB 3.43Å; I458-L461 PolarHBondContact O-N 3.35Å; I458-L462 HydrophobicContact CG2-CD1 3.96Å; I458-L462 HydrophobicContact CG2-CG 4.43Å; I458-L462 WeakPolarHBondContact O-CG 3.47Å; I458-L462 PolarHBondContact O-N 2.84Å; I458-L462 VanDerWaalsContact O-N 3.15Å |
| 459 | D | 54.6 | Low | 42.6 | Very low | 72 Ų | 72 | 111.9 Ų | 111.9 | 39% | 0.385 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.4 | -31.4 | 178.6 | -63.2 | -48.1 | 0 | 0 | 0 | 112.8 | K455 S456 L461 Q463 | K455-D459 HydrophobicContact CB-CB 3.9Å; K455-D459 HydrophobicContact CG-CB 4.28Å; S456-D459 WeakPolarHBondContact CB-OD2 3.46Å; S456-D459 PolarHBondContact N-OD2 3.43Å; S456-D459 WeakPolarHBondContact O-CA 3.36Å; S456-D459 WeakPolarHBondContact O-CB 3.38Å; S456-D459 PolarHBondContact O-N 2.85Å; S456-D459 PolarHBondContact OG-N 2.78Å; S456-D459 VanDerWaalsContact OG-N 3.12Å; S456-D459 PolarHBondContact OG-OD2 3.5Å; D459-L461 VanDerWaalsContact C-N 3.34Å; D459-Q463 WeakPolarHBondContact O-CG 2.98Å; D459-Q463 PolarHBondContact O-NE2 2.94Å; D459-Q463 VanDerWaalsContact O-NE2 3.15Å |
| 460 | L | 56.1 | Low | 42.5 | Very low | 72 Ų | 72 | 112.5 Ų | 112.5 | 38% | 0.377 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -37.1 | 172.8 | -69.9 | 173.9 | 0 | 0 | 0 | 111.4 | Y276 K455 S456 I458 | Y276-L460 PolarHBondContact OH-O 3.47Å; K455-L460 HydrophobicContact CB-CD2 4.11Å; K455-L460 HydrophobicContact CB-CG 4.13Å; K455-L460 HydrophobicContact CD-CD2 4.15Å; S456-L460 VanDerWaalsContact O-N 3.13Å; S456-L460 PolarHBondContact O-N 3.35Å; I458-L460 VanDerWaalsContact C-N 3.27Å; I458-L460 PolarHBondContact O-N 3.18Å |
| 461 | L | 55 | Low | 42.5 | Very low | 19 Ų | 19 | 107.1 Ų | 107.1 | 10% | 0.099 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -71.1 | -30.6 | 178.9 | -66.6 | 163.3 | 0 | 0 | 0 | 112.9 | Y276 L347 L351 P457 I458 D459 | Y276-L461 HydrophobicContact CD1-CD2 4.12Å; Y276-L461 HydrophobicContact CD2-CD2 3.73Å; Y276-L461 HydrophobicContact CE1-CD2 3.92Å; Y276-L461 HydrophobicContact CE2-CD2 3.49Å; Y276-L461 VanDerWaalsContact CE2-CD2 3.49Å; Y276-L461 HydrophobicContact CG-CD2 4.05Å; L347-L461 HydrophobicContact CD1-CD1 3.27Å; L347-L461 HydrophobicContact CD1-CD2 4.31Å; L347-L461 HydrophobicContact CD1-CG 4.43Å; L347-L461 HydrophobicContact CD2-CD1 4.42Å; L347-L461 HydrophobicContact CG-CD1 4.42Å; L351-L461 HydrophobicContact CD2-CD1 3.97Å; P457-L461 WeakPolarHBondContact O-CD1 3.38Å; P457-L461 PolarHBondContact O-N 3.4Å; P457-L461 WeakPolarHBondContact O-CG 3.49Å; P457-L461 VanDerWaalsContact O-CG 3.29Å; I458-L461 WeakPolarHBondContact O-CB 3.43Å; I458-L461 PolarHBondContact O-N 3.35Å; D459-L461 VanDerWaalsContact C-N 3.34Å |
| 462 | L | 53.3 | Low | 42.4 | Very low | 99 Ų | 99 | 104.7 Ų | 104.7 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -83.9 | -14.1 | -174.5 | -70.5 | 174.9 | 0 | 0 | 0 | 115.2 | P437 I458 A464 | P437-L462 HydrophobicContact CB-CD2 3.69Å; P437-L462 HydrophobicContact CG-CG 4.3Å; P437-L462 HydrophobicContact CG-CD2 3.79Å; I458-L462 HydrophobicContact CG2-CD1 3.96Å; I458-L462 HydrophobicContact CG2-CG 4.43Å; I458-L462 WeakPolarHBondContact O-CG 3.47Å; I458-L462 PolarHBondContact O-N 2.84Å; I458-L462 VanDerWaalsContact O-N 3.15Å; L462-A464 PolarHBondContact O-N 2.99Å |
| 463 | Q | 46.2 | Very low | 42.5 | Very low | 91 Ų | 91 | 101.1 Ų | 101.1 | 43% | 0.425 | 53% | 0.525 | S | S | . | . | trans | -75.2 | 15.1 | -171.1 | -88.1 | 168.1 | 42.7 | 0 | 0 | 116.9 | K455 D459 | K455-Q463 VanDerWaalsContact NZ-CD 3.3Å; K455-Q463 VanDerWaalsContact NZ-NE2 3.16Å; D459-Q463 WeakPolarHBondContact O-CG 2.98Å; D459-Q463 PolarHBondContact O-NE2 2.94Å; D459-Q463 VanDerWaalsContact O-NE2 3.15Å | ||
| 464 | A | 42.9 | Very low | 42.1 | Very low | 11 Ų | 11 | 98.1 Ų | 98.1 | 9% | 0.091 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -93.2 | 121.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q278 L363 L462 N466 | Q278-A464 HydrophobicContact CG-CB 4.46Å; L363-A464 HydrophobicContact CD2-CB 3.56Å; L462-A464 PolarHBondContact O-N 2.99Å; A464-N466 PolarHBondContact O-N 3.42Å |
| 465 | P | 38.2 | Very low | 41.7 | Very low | 102 Ų | 102 | 94.3 Ų | 94.3 | 66% | 0.662 | 50% | 0.496 | S | S | * | . | trans | -61.7 | 127.5 | -175.1 | 20.2 | -29.4 | 0 | 0 | 0 | 112.7 | N467 | P465-N467 VanDerWaalsContact C-N 3.3Å; P465-N467 PolarHBondContact O-N 2.89Å | ||
| 466 | N | 36.7 | Very low | 40.8 | Very low | 114 Ų | 114 | 94.6 Ų | 94.6 | 61% | 0.61 | 51% | 0.511 | S | S | * | . | trans | -81.8 | 57.5 | -177.2 | -74.6 | -33.7 | 0 | 0 | 0 | 112.9 | A464 | A464-N466 PolarHBondContact O-N 3.42Š| ||
| 467 | N | 27.2 | Very low | 39.4 | Very low | 135 Ų | 135 | 97.4 Ų | 97.4 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | trans | -108.6 | 59.2 | -177.3 | -75.9 | -12.1 | 0 | 0 | 0 | 113.4 | P465 | P465-N467 VanDerWaalsContact C-N 3.3Å; P465-N467 PolarHBondContact O-N 2.89Å | ||
| 468 | Y | 30.9 | Very low | 38.2 | Very low | 189 Ų | 189 | 104.8 Ų | 104.8 | 74% | 0.741 | 56% | 0.559 | S | S | * | * | trans | -143.1 | 128 | 167.2 | -73 | -76.5 | 0 | 0 | 0 | 113.9 | I470 | Y468-I470 PolarHBondContact O-N 3.39Š| ||
| 469 | R | 30.2 | Very low | 36.9 | Very low | 243 Ų | 243 | 108.6 Ų | 108.6 | 92% | 0.917 | 59% | 0.586 | S | S | * | * | trans | -70.3 | 120.1 | 172 | -73.9 | -178.5 | 174.6 | 178.5 | -1.3 | 109.5 | G471 | R469-G471 PolarHBondContact O-N 3.09Š| ||
| 470 | I | 32.6 | Very low | 35.9 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 66% | 0.656 | 60% | 0.596 | S | S | * | * | trans | -75.9 | 74.9 | 168.6 | -52.8 | 172 | 0 | 0 | 0 | 107.4 | L280 Y468 F473 | L280-I470 HydrophobicContact CD2-CD1 4.33Å; Y468-I470 PolarHBondContact O-N 3.39Å; I470-F473 HydrophobicContact CG2-CD2 4.36Å | ||
| 471 | G | 28.1 | Very low | 34.6 | Very low | 51 Ų | 51 | 114.5 Ų | 114.5 | 53% | 0.526 | 62% | 0.616 | S | S | . | * | trans | -150.8 | 73.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | R469 | R469-G471 PolarHBondContact O-N 3.09Š| ||
| 472 | D | 28.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | trans | -171.1 | 24.3 | 160.5 | -95.4 | -20.1 | 0 | 0 | 0 | 114.7 | ||||
| 473 | F | 36.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | trans | -104.4 | 95.7 | -174.4 | -56.7 | -65.6 | 0 | 0 | 0 | 111.8 | F416 K418 I470 | F416-F473 HydrophobicContact CD2-CD1 4.05Å; F416-F473 HydrophobicContact CD2-CE1 4.03Å; F416-F473 HydrophobicContact CE2-CE1 4.42Å; K418-F473 WeakPolarHBondContact CE-O 3.3Å; K418-F473 PolarHBondContact NZ-O 3.19Å; I470-F473 HydrophobicContact CG2-CD2 4.36Å | ||
| 474 | G | 26.6 | Very low | 31 | Very low | 46 Ų | 46 | 125.8 Ų | 125.8 | 47% | 0.474 | 67% | 0.666 | S | S | . | * | trans | -83.6 | 150.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 475 | T | 32 | Very low | 30.1 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 59% | 0.589 | 70% | 0.695 | S | S | * | * | trans | 73.1 | 141.8 | 161.5 | 63.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 476 | S | 29.1 | Very low | 29.5 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | trans | -95.2 | 145.9 | -166.5 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 477 | S | 29.8 | Very low | 29 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -133.4 | 112.7 | 162.4 | 171.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 478 | K | 30.2 | Very low | 29 | Very low | 185 Ų | 185 | 127.3 Ų | 127.3 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -107.7 | 144.4 | 173 | -74.9 | -174.3 | 176.5 | -177.8 | 0 | 108 | ||||
| 479 | T | 31.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 87% | 0.865 | 66% | 0.664 | S | S | * | * | trans | 64.1 | 104.4 | 165.4 | 47.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 480 | L | 32.6 | Very low | 28.6 | Very low | 113 Ų | 113 | 117 Ų | 117 | 59% | 0.592 | 65% | 0.645 | S | S | * | * | trans | -113.1 | 140.1 | 164.6 | -88.3 | 162.4 | 0 | 0 | 0 | 110 | L16 | L16-L480 HydrophobicContact CD2-CD1 4.16Å; L16-L480 HydrophobicContact CD2-CD2 3.86Å | ||
| 481 | I | 29.3 | Very low | 28.4 | Very low | 155 Ų | 155 | 115.1 Ų | 115.1 | 80% | 0.795 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 141.6 | -175.9 | -62.9 | 164.4 | 0 | 0 | 0 | 111.3 | ||
| 482 | K | 25.7 | Very low | 28.4 | Very low | 187 Ų | 187 | 117.5 Ų | 117.5 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 125.3 | 178.2 | -67 | 179.7 | 177.7 | 179.8 | 0 | 111.1 | ||
| 483 | P | 30.7 | Very low | 28.5 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 47% | 0.474 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -83.8 | 148.3 | 170.1 | 30.6 | -29.6 | 0 | 0 | 0 | 112.4 | W24 | W24-P483 HydrophobicContact CZ2-CB 4.24Š|
| 484 | F | 23.2 | Very low | 28.1 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 82% | 0.816 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 151.1 | 171.8 | -89 | -95.8 | 0 | 0 | 0 | 112.1 | V486 | F484-V486 PolarHBondContact O-N 3.03Š|
| 485 | P | 23.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 116.9 | 178.4 | 27.7 | -32.1 | 0 | 0 | 0 | 111.1 | ||
| 486 | V | 26 | Very low | 28 | Very low | 49 Ų | 49 | 130.4 Ų | 130.4 | 30% | 0.297 | 68% | 0.683 | S | S | . | * | trans | -96.1 | 106.3 | 165.9 | -176 | 0 | 0 | 0 | 0 | 106.3 | W24 L27 F484 C488 | W24-V486 HydrophobicContact CH2-CG2 4.3Å; W24-V486 HydrophobicContact CZ3-CG2 4.36Å; L27-V486 HydrophobicContact CD2-CG1 4.37Å; L27-V486 HydrophobicContact CD2-CG2 4.2Å; F484-V486 PolarHBondContact O-N 3.03Å; V486-C488 PolarHBondContact O-N 2.85Å | ||
| 487 | Q | 24.9 | Very low | 27.9 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 84% | 0.841 | 68% | 0.678 | S | S | * | * | trans | -59.6 | 108.7 | 167.5 | -96.6 | 170.7 | -32.3 | 0 | 0 | 107.7 | M489 | Q487-M489 VanDerWaalsContact C-N 3.35Å; Q487-M489 PolarHBondContact O-N 3.11Å | ||
| 488 | C | 26.9 | Very low | 27.8 | Very low | 58 Ų | 58 | 133.2 Ų | 133.2 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | trans | -59.8 | 102.5 | 162.9 | -85.9 | 0 | 0 | 0 | 0 | 107.4 | Y314 V486 I490 | Y314-C488 WeakPolarHBondContact O-CB 3.41Å; V486-C488 PolarHBondContact O-N 2.85Å; C488-I490 VanDerWaalsContact C-N 3.34Å; C488-I490 PolarHBondContact O-N 3.26Å | ||
| 489 | M | 25.2 | Very low | 27.7 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -66.5 | 96 | 174.1 | -62 | -162.3 | -61.9 | 0 | 0 | 108.3 | Q487 T491 | Q487-M489 VanDerWaalsContact C-N 3.35Å; Q487-M489 PolarHBondContact O-N 3.11Å; M489-T491 PolarHBondContact O-N 3.09Å | ||
| 490 | I | 27.2 | Very low | 27.5 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 53% | 0.533 | 66% | 0.655 | S | S | . | * | trans | -66.3 | 108.1 | 146.6 | -49 | 170.1 | 0 | 0 | 0 | 103.9 | Q313 C488 S492 | Q313-I490 WeakPolarHBondContact O-CD1 3.33Å; Q313-I490 WeakPolarHBondContact O-CG1 3.48Å; C488-I490 VanDerWaalsContact C-N 3.34Å; C488-I490 PolarHBondContact O-N 3.26Å; I490-S492 PolarHBondContact O-N 3.09Å | ||
| 491 | T | 28.7 | Very low | 27.1 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 55% | 0.546 | 66% | 0.659 | S | S | . | * | trans | -64.7 | 97.3 | 158.7 | 48 | 0 | 0 | 0 | 0 | 105.5 | M489 D493 | M489-T491 PolarHBondContact O-N 3.09Å; T491-D493 PolarHBondContact O-N 3.29Å; T491-D493 VanDerWaalsContact O-N 3.14Å | ||
| 492 | S | 27.8 | Very low | 26.9 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | trans | -63.1 | 109.2 | 152.9 | 60.2 | 0 | 0 | 0 | 0 | 104.9 | I490 R494 | I490-S492 PolarHBondContact O-N 3.09Å; S492-R494 PolarHBondContact O-N 3.31Å | ||
| 493 | D | 31.3 | Very low | 27 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | trans | -51 | 111.1 | 164.4 | -77.5 | -12.6 | 0 | 0 | 0 | 107.5 | K118 T491 | K118-D493 IonicContact NZ-OD2 2.7Å; K118-D493 PolarHBondContact NZ-OD2 2.79Å; T491-D493 PolarHBondContact O-N 3.29Å; T491-D493 VanDerWaalsContact O-N 3.14Å | ||
| 494 | R | 28.5 | Very low | 26.7 | Very low | 315 Ų | 315 | 128.2 Ų | 128.2 | 100% | 1.189 | 65% | 0.65 | S | S | * | * | trans | -106.1 | 0 | 146.7 | -90.2 | -168.4 | 176.2 | -172.7 | -0.2 | 107.2 | S492 | S492-R494 PolarHBondContact O-N 3.31Š|
Retrieved 494 of 494 residues in 664.9 ms
(Link to these results)