| 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 | 42.5 | Very low | 43 | Very low | 213 Ų | 213 | 119.4 Ų | 119.4 | 100% | 1.049 | 62% | 0.623 | S | S | * | * | 0 | -47.1 | 0 | -81.1 | 177.1 | 165.6 | 0 | 0 | 112.4 | N3 V4 | M1-N3 PolarHBondContact O-N 2.95Å; M1-N3 VanDerWaalsContact O-N 3.1Å; M1-V4 PolarHBondContact O-N 2.67Å; M1-V4 VanDerWaalsContact O-N 3.14Å | |||
| 2 | S | 42.9 | Very low | 43.2 | Very low | 88 Ų | 88 | 118.2 Ų | 118.2 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -45.3 | -38.2 | 175.1 | 47.3 | 0 | 0 | 0 | 0 | 116.2 | V4 T5 | S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 PolarHBondContact O-N 3.08Å; S2-T5 PolarHBondContact O-OG1 2.67Å |
| 3 | N | 44.3 | Very low | 43.3 | Very low | 125 Ų | 125 | 115.2 Ų | 115.2 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.5 | -9.1 | -172.7 | -57.5 | 26.3 | 0 | 0 | 0 | 113.6 | M1 S6 | M1-N3 PolarHBondContact O-N 2.95Å; M1-N3 VanDerWaalsContact O-N 3.1Å; N3-S6 WeakPolarHBondContact CA-OG 3.4Å; N3-S6 PolarHBondContact O-OG 2.86Å; N3-S6 VanDerWaalsContact O-OG 3.07Å |
| 4 | V | 49.2 | Very low | 43.9 | Very low | 93 Ų | 93 | 111.4 Ų | 111.4 | 56% | 0.564 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.9 | -38.1 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | M1 S2 A7 W8 | M1-V4 PolarHBondContact O-N 2.67Å; M1-V4 VanDerWaalsContact O-N 3.14Å; S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 PolarHBondContact O-N 3.08Å; V4-A7 PolarHBondContact O-N 2.91Å; V4-W8 VanDerWaalsContact O-CD1 3.27Å; V4-W8 PolarHBondContact O-N 3.17Å |
| 5 | T | 46.7 | Very low | 44.6 | Very low | 92 Ų | 92 | 108.5 Ų | 108.5 | 56% | 0.564 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.6 | -38.4 | 176.4 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | S2 A7 W8 W9 | S2-T5 PolarHBondContact O-OG1 2.67Å; T5-A7 VanDerWaalsContact C-N 3.33Å; T5-A7 PolarHBondContact O-N 2.96Å; T5-W8 PolarHBondContact O-N 3.17Å; T5-W9 PolarHBondContact O-N 2.74Å |
| 6 | S | 44.9 | Very low | 45.5 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 46% | 0.462 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.9 | -40.6 | 175.7 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | N3 W8 W9 T10 | N3-S6 WeakPolarHBondContact CA-OG 3.4Å; N3-S6 PolarHBondContact O-OG 2.86Å; N3-S6 VanDerWaalsContact O-OG 3.07Å; S6-W8 PolarHBondContact O-N 3.19Å; S6-W9 PolarHBondContact O-N 3.16Å; S6-T10 PolarHBondContact O-N 2.81Å; S6-T10 VanDerWaalsContact O-N 3.07Å; S6-T10 PolarHBondContact O-OG1 3.19Å |
| 7 | A | 45.7 | Very low | 46.6 | Very low | 37 Ų | 37 | 103.8 Ų | 103.8 | 31% | 0.306 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.7 | -43.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V4 T5 W9 T10 I11 | V4-A7 PolarHBondContact O-N 2.91Å; T5-A7 VanDerWaalsContact C-N 3.33Å; T5-A7 PolarHBondContact O-N 2.96Å; A7-W9 VanDerWaalsContact C-N 3.34Å; A7-W9 PolarHBondContact O-N 2.93Å; A7-T10 WeakPolarHBondContact CA-OG1 3.17Å; A7-T10 PolarHBondContact O-N 2.96Å; A7-T10 PolarHBondContact O-OG1 3.2Å; A7-I11 WeakPolarHBondContact O-CD1 3.44Å; A7-I11 VanDerWaalsContact O-CG1 3.28Å; A7-I11 WeakPolarHBondContact O-CG1 3.49Å; A7-I11 PolarHBondContact O-N 3.03Å |
| 8 | W | 34.8 | Very low | 47.7 | Very low | 194 Ų | 194 | 101.6 Ų | 101.6 | 74% | 0.735 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.9 | -33 | 179.7 | -81.6 | 58 | 0 | 0 | 0 | 113.1 | V4 T5 S6 T12 | V4-W8 VanDerWaalsContact O-CD1 3.27Å; V4-W8 PolarHBondContact O-N 3.17Å; T5-W8 PolarHBondContact O-N 3.17Å; S6-W8 PolarHBondContact O-N 3.19Å; W8-T12 PolarHBondContact O-N 3.38Å; W8-T12 PolarHBondContact O-OG1 2.66Å |
| 9 | W | 33.9 | Very low | 48.7 | Very low | 203 Ų | 203 | 99.7 Ų | 99.7 | 77% | 0.769 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.7 | -27.5 | 173.5 | -76.1 | 98.9 | 0 | 0 | 0 | 113.7 | T5 S6 A7 T12 S13 | T5-W9 PolarHBondContact O-N 2.74Å; S6-W9 PolarHBondContact O-N 3.16Å; A7-W9 VanDerWaalsContact C-N 3.34Å; A7-W9 PolarHBondContact O-N 2.93Å; W9-T12 PolarHBondContact O-OG1 3.12Å; W9-S13 PolarHBondContact O-N 3.01Å; W9-S13 PolarHBondContact O-OG 3.48Å |
| 10 | T | 41.7 | Very low | 49.6 | Very low | 89 Ų | 89 | 97.5 Ų | 97.5 | 55% | 0.546 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -76.9 | -27.3 | 173 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | S6 A7 S13 | S6-T10 PolarHBondContact O-N 2.81Å; S6-T10 VanDerWaalsContact O-N 3.07Å; S6-T10 PolarHBondContact O-OG1 3.19Å; A7-T10 WeakPolarHBondContact CA-OG1 3.17Å; A7-T10 PolarHBondContact O-N 2.96Å; A7-T10 PolarHBondContact O-OG1 3.2Å; T10-S13 PolarHBondContact O-N 3.44Å; T10-S13 PolarHBondContact O-OG 3.07Å |
| 11 | I | 47 | Very low | 50.8 | Low | 113 Ų | 113 | 97 Ų | 97 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.1 | -35.4 | 178.1 | -71.3 | 163.6 | 0 | 0 | 0 | 110.9 | A7 S13 | A7-I11 WeakPolarHBondContact O-CD1 3.44Å; A7-I11 VanDerWaalsContact O-CG1 3.28Å; A7-I11 WeakPolarHBondContact O-CG1 3.49Å; A7-I11 PolarHBondContact O-N 3.03Å; I11-S13 VanDerWaalsContact C-N 3.29Å; I11-S13 PolarHBondContact O-N 2.89Å |
| 12 | T | 44.5 | Very low | 52.7 | Low | 105 Ų | 105 | 86.8 Ų | 86.8 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.8 | 173.6 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | W8 W9 | W8-T12 PolarHBondContact O-N 3.38Å; W8-T12 PolarHBondContact O-OG1 2.66Å; W9-T12 PolarHBondContact O-OG1 3.12Å |
| 13 | S | 44.6 | Very low | 54.6 | Low | 80 Ų | 80 | 83.3 Ų | 83.3 | 56% | 0.559 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 36.7 | 176.5 | 80.7 | 0 | 0 | 0 | 0 | 113.5 | W9 T10 I11 S15 | W9-S13 PolarHBondContact O-N 3.01Å; W9-S13 PolarHBondContact O-OG 3.48Å; T10-S13 PolarHBondContact O-N 3.44Å; T10-S13 PolarHBondContact O-OG 3.07Å; I11-S13 VanDerWaalsContact C-N 3.29Å; I11-S13 PolarHBondContact O-N 2.89Å; S13-S15 PolarHBondContact O-N 3.1Å; S13-S15 VanDerWaalsContact O-N 3.1Å |
| 14 | T | 51.5 | Low | 56.4 | Low | 62 Ų | 62 | 84 Ų | 84 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | trans | -62.4 | 110.9 | 163.9 | 36 | 0 | 0 | 0 | 0 | 108.2 | S16 | T14-S16 PolarHBondContact O-N 3.11Š| ||
| 15 | S | 55.2 | Low | 58.1 | Low | 67 Ų | 67 | 80.7 Ų | 80.7 | 47% | 0.469 | 45% | 0.452 | S | S | . | . | trans | -55 | 137.5 | -171.1 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | S13 A17 V18 K19 | S13-S15 PolarHBondContact O-N 3.1Å; S13-S15 VanDerWaalsContact O-N 3.1Å; S15-A17 PolarHBondContact O-N 3.45Å; S15-A17 VanDerWaalsContact O-N 3.11Å; S15-V18 PolarHBondContact O-N 2.84Å; S15-K19 PolarHBondContact O-N 2.9Å; S15-K19 VanDerWaalsContact O-N 3.11Å | ||
| 16 | S | 59.2 | Low | 59.9 | Low | 84 Ų | 84 | 76.3 Ų | 76.3 | 59% | 0.587 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55.6 | -29.4 | 177 | 51.1 | 0 | 0 | 0 | 0 | 112.5 | T14 K19 A20 | T14-S16 PolarHBondContact O-N 3.11Å; S16-K19 PolarHBondContact O-N 3.1Å; S16-A20 VanDerWaalsContact O-CB 3.31Å; S16-A20 WeakPolarHBondContact O-CB 3.25Å; S16-A20 PolarHBondContact O-N 2.86Å |
| 17 | A | 62.9 | Low | 61.7 | Low | 53 Ų | 53 | 77.8 Ų | 77.8 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S15 K19 A20 D21 | S15-A17 PolarHBondContact O-N 3.45Å; S15-A17 VanDerWaalsContact O-N 3.11Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.3Å; A17-A20 PolarHBondContact O-N 2.82Å; A17-D21 WeakPolarHBondContact O-CB 3.25Å; A17-D21 PolarHBondContact O-N 3.37Å |
| 18 | V | 67.3 | Low | 63.4 | Low | 64 Ų | 64 | 78.9 Ų | 78.9 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.4 | -31.1 | 179.9 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | S15 L22 I41 | S15-V18 PolarHBondContact O-N 2.84Å; V18-L22 PolarHBondContact O-N 3.13Å; V18-I41 HydrophobicContact CG1-CD1 4.23Å |
| 19 | K | 65.9 | Low | 65.5 | Low | 66 Ų | 66 | 75.1 Ų | 75.1 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -52.5 | 168.6 | -71.4 | -167.6 | 168 | -152.8 | 0 | 111 | S15 S16 A17 D21 L22 F23 V45 E46 | S15-K19 PolarHBondContact O-N 2.9Å; S15-K19 VanDerWaalsContact O-N 3.11Å; S16-K19 PolarHBondContact O-N 3.1Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.3Å; K19-D21 PolarHBondContact O-N 2.96Å; K19-L22 WeakPolarHBondContact O-CB 3.44Å; K19-L22 PolarHBondContact O-N 3.42Å; K19-F23 WeakPolarHBondContact O-CD2 3.5Å; K19-F23 PolarHBondContact O-N 3.29Å; K19-V45 HydrophobicContact CD-CG1 4.08Å; K19-V45 HydrophobicContact CG-CG1 4.06Å; K19-E46 PolarHBondContact NZ-O 3.39Å |
| 20 | A | 67.1 | Low | 67.8 | Low | 56 Ų | 56 | 67.9 Ų | 67.9 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S16 A17 L22 F23 E24 | S16-A20 VanDerWaalsContact O-CB 3.31Å; S16-A20 WeakPolarHBondContact O-CB 3.25Å; S16-A20 PolarHBondContact O-N 2.86Å; A17-A20 PolarHBondContact O-N 2.82Å; A20-L22 VanDerWaalsContact C-N 3.29Å; A20-L22 PolarHBondContact O-N 3.22Å; A20-F23 PolarHBondContact O-N 3.02Å; A20-F23 VanDerWaalsContact O-N 3.13Å; A20-E24 WeakPolarHBondContact O-CB 3.49Å; A20-E24 PolarHBondContact O-N 3.27Å |
| 21 | D | 75.6 | Confident | 69.6 | Low | 86 Ų | 86 | 64.9 Ų | 64.9 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -53.3 | -43.3 | 175.2 | -73.6 | -5.4 | 0 | 0 | 0 | 111.9 | A17 K19 V25 | A17-D21 WeakPolarHBondContact O-CB 3.25Å; A17-D21 PolarHBondContact O-N 3.37Å; K19-D21 PolarHBondContact O-N 2.96Å; D21-V25 VanDerWaalsContact O-CB 3.25Å; D21-V25 WeakPolarHBondContact O-CB 3.47Å; D21-V25 WeakPolarHBondContact O-CG2 3.49Å; D21-V25 PolarHBondContact O-N 3.23Å |
| 22 | L | 81.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 177.4 | 176.8 | 67.5 | 0 | 0 | 0 | 111.3 | V18 K19 A20 V25 I26 I37 I41 P53 | V18-L22 PolarHBondContact O-N 3.13Å; K19-L22 WeakPolarHBondContact O-CB 3.44Å; K19-L22 PolarHBondContact O-N 3.42Å; A20-L22 VanDerWaalsContact C-N 3.29Å; A20-L22 PolarHBondContact O-N 3.22Å; L22-V25 PolarHBondContact O-N 3.14Å; L22-I26 HydrophobicContact CD1-CD1 4.09Å; L22-I26 HydrophobicContact CD1-CG1 4.46Å; L22-I26 HydrophobicContact CG-CD1 3.9Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.29Å; L22-I26 PolarHBondContact O-N 3.36Å; L22-I37 HydrophobicContact CB-CG2 4.38Å; L22-I37 HydrophobicContact CD1-CB 4.35Å; L22-I37 HydrophobicContact CD1-CG2 3.99Å; L22-I41 HydrophobicContact CB-CD1 4.19Å; L22-I41 HydrophobicContact CD1-CD1 4.49Å; L22-I41 HydrophobicContact CD2-CD1 3.9Å; L22-I41 HydrophobicContact CD2-CG2 4.21Å; L22-I41 HydrophobicContact CG-CD1 4.41Å; L22-P53 HydrophobicContact CD2-CG 4.08Å |
| 23 | F | 83.5 | Confident | 73.1 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.3 | -36.7 | -176.8 | -72.7 | -72.8 | 0 | 0 | 0 | 112.6 | K19 A20 I26 L27 V45 N47 E51 P53 V56 | K19-F23 WeakPolarHBondContact O-CD2 3.5Å; K19-F23 PolarHBondContact O-N 3.29Å; A20-F23 PolarHBondContact O-N 3.02Å; A20-F23 VanDerWaalsContact O-N 3.13Å; F23-I26 HydrophobicContact CD1-CD1 4.37Å; F23-I26 PolarHBondContact O-N 2.98Å; F23-L27 VanDerWaalsContact O-CG 3.32Å; F23-L27 WeakPolarHBondContact O-CG 3.48Å; F23-L27 PolarHBondContact O-N 2.91Å; F23-V45 WeakPolarHBondContact CZ-O 3.46Å; F23-N47 HydrophobicContact CD1-CB 4.44Å; F23-N47 HydrophobicContact CD2-CB 3.7Å; F23-N47 HydrophobicContact CE1-CB 4.27Å; F23-N47 HydrophobicContact CE2-CB 3.54Å; F23-N47 HydrophobicContact CG-CB 4.17Å; F23-N47 HydrophobicContact CZ-CB 3.84Å; F23-E51 VanDerWaalsContact CZ-O 3.31Å; F23-E51 WeakPolarHBondContact CZ-O 3.38Å; F23-P53 HydrophobicContact CE1-CG 4.31Å; F23-P53 HydrophobicContact CZ-CG 4.26Å; F23-V56 HydrophobicContact CD1-CB 4.38Å; F23-V56 HydrophobicContact CD1-CG2 3.77Å; F23-V56 HydrophobicContact CE1-CG2 3.82Å |
| 24 | E | 81.9 | Confident | 74.9 | Confident | 139 Ų | 139 | 59.8 Ų | 59.8 | 65% | 0.65 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 171.4 | -171.5 | 176.5 | -179 | 0 | 0 | 111.4 | A20 L27 S28 | A20-E24 WeakPolarHBondContact O-CB 3.49Å; A20-E24 PolarHBondContact O-N 3.27Å; E24-L27 CarbonylContact O-C 3.59Å; E24-L27 WeakPolarHBondContact O-CB 3.41Å; E24-L27 PolarHBondContact O-N 2.92Å; E24-S28 PolarHBondContact O-N 3.03Å |
| 25 | V | 83.6 | Confident | 76.3 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69 | -34.8 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 112.2 | D21 L22 S28 K33 V34 I37 | D21-V25 VanDerWaalsContact O-CB 3.25Å; D21-V25 WeakPolarHBondContact O-CB 3.47Å; D21-V25 WeakPolarHBondContact O-CG2 3.49Å; D21-V25 PolarHBondContact O-N 3.23Å; L22-V25 PolarHBondContact O-N 3.14Å; V25-S28 WeakPolarHBondContact O-CB 3.27Å; V25-S28 PolarHBondContact O-N 3.23Å; V25-S28 VanDerWaalsContact O-N 3.14Å; V25-S28 PolarHBondContact O-OG 2.73Å; V25-K33 HydrophobicContact CG1-CB 3.46Å; V25-K33 VanDerWaalsContact CG1-CB 3.46Å; V25-K33 HydrophobicContact CG1-CD 4.21Å; V25-V34 HydrophobicContact CG1-CG2 3.87Å; V25-I37 HydrophobicContact CB-CD1 4.08Å; V25-I37 HydrophobicContact CG1-CD1 4.01Å; V25-I37 HydrophobicContact CG2-CD1 3.86Å |
| 26 | I | 85.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 170.9 | -71.6 | 164.7 | 0 | 0 | 0 | 110.6 | L22 F23 S28 E29 V34 P53 V56 I60 L65 F69 | L22-I26 HydrophobicContact CD1-CD1 4.09Å; L22-I26 HydrophobicContact CD1-CG1 4.46Å; L22-I26 HydrophobicContact CG-CD1 3.9Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.29Å; L22-I26 PolarHBondContact O-N 3.36Å; F23-I26 HydrophobicContact CD1-CD1 4.37Å; F23-I26 PolarHBondContact O-N 2.98Å; I26-S28 PolarHBondContact O-N 3.47Å; I26-E29 PolarHBondContact O-N 3.48Å; I26-V34 HydrophobicContact CG1-CG1 4.1Å; I26-V34 HydrophobicContact CG1-CG2 3.79Å; I26-P53 HydrophobicContact CD1-CB 3.73Å; I26-V56 HydrophobicContact CG2-CB 4.21Å; I26-V56 HydrophobicContact CG2-CG1 3.73Å; I26-I60 HydrophobicContact CG2-CD1 3.72Å; I26-I60 VanDerWaalsContact O-CD1 3.32Å; I26-I60 WeakPolarHBondContact O-CD1 3.32Å; I26-L65 HydrophobicContact CG2-CD1 4.28Å; I26-F69 HydrophobicContact CD1-CE2 4.23Å; I26-F69 HydrophobicContact CD1-CZ 3.9Å; I26-F69 HydrophobicContact CG1-CE2 4.48Å; I26-F69 HydrophobicContact CG1-CZ 4.32Å |
| 27 | L | 83.3 | Confident | 78.3 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -19 | 173.7 | -70.1 | 164.3 | 0 | 0 | 0 | 113.5 | F23 E24 E29 V56 I60 | F23-L27 VanDerWaalsContact O-CG 3.32Å; F23-L27 WeakPolarHBondContact O-CG 3.48Å; F23-L27 PolarHBondContact O-N 2.91Å; E24-L27 CarbonylContact O-C 3.59Å; E24-L27 WeakPolarHBondContact O-CB 3.41Å; E24-L27 PolarHBondContact O-N 2.92Å; L27-E29 VanDerWaalsContact C-N 3.29Å; L27-V56 HydrophobicContact CD2-CG1 4.34Å; L27-V56 HydrophobicContact CG-CG1 4.5Å; L27-I60 HydrophobicContact CD2-CD1 4.07Å; L27-I60 HydrophobicContact CD2-CG1 4.26Å |
| 28 | S | 81.8 | Confident | 78.8 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 43% | 0.427 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.5 | 172.5 | 83.7 | 0 | 0 | 0 | 0 | 114.7 | E24 V25 I26 D30 | E24-S28 PolarHBondContact O-N 3.03Å; V25-S28 WeakPolarHBondContact O-CB 3.27Å; V25-S28 PolarHBondContact O-N 3.23Å; V25-S28 VanDerWaalsContact O-N 3.14Å; V25-S28 PolarHBondContact O-OG 2.73Å; I26-S28 PolarHBondContact O-N 3.47Å; S28-D30 PolarHBondContact O-N 2.91Å |
| 29 | E | 77.5 | Confident | 79 | Confident | 114 Ų | 114 | 63.5 Ų | 63.5 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 0.7 | -178.1 | -67.8 | -177.3 | -162.3 | 0 | 0 | 116.6 | I26 L27 V31 I60 N62 | I26-E29 PolarHBondContact O-N 3.48Å; L27-E29 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.19Å; E29-I60 HydrophobicContact CG-CG2 3.83Å; E29-I60 WeakPolarHBondContact OE1-CG2 3.32Å; E29-N62 PolarHBondContact O-ND2 3.33Å |
| 30 | D | 82 | Confident | 79.1 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | trans | -74.9 | 86.1 | -177.2 | -168.4 | -32.2 | 0 | 0 | 0 | 112.2 | S28 E32 K33 V34 | S28-D30 PolarHBondContact O-N 2.91Å; D30-E32 PolarHBondContact O-N 3.03Å; D30-E32 VanDerWaalsContact O-N 3.12Å; D30-E32 PolarHBondContact OD1-N 3.36Å; D30-E32 VanDerWaalsContact OD1-N 3.17Å; D30-K33 HydrophobicContact CB-CB 4.12Å; D30-K33 HydrophobicContact CB-CD 4.17Å; D30-K33 HydrophobicContact CB-CG 4.09Å; D30-K33 PolarHBondContact O-N 3.12Å; D30-K33 PolarHBondContact OD1-N 3.08Å; D30-K33 WeakPolarHBondContact OD2-CE 3.49Å; D30-K33 WeakPolarHBondContact OD2-CG 3.45Å; D30-K33 IonicContact OD2-NZ 2.67Å; D30-K33 PolarHBondContact OD2-NZ 3.2Å; D30-V34 WeakPolarHBondContact O-CG2 3.12Å; D30-V34 PolarHBondContact O-N 3.21Å | ||
| 31 | V | 81.2 | Confident | 79.2 | Confident | 27 Ų | 27 | 63 Ų | 63 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -46.4 | -39.7 | 177 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | E29 V34 K35 N64 L65 | E29-V31 PolarHBondContact O-N 3.19Å; V31-V34 PolarHBondContact O-N 3Å; V31-K35 HydrophobicContact CG1-CD 4.19Å; V31-K35 WeakPolarHBondContact O-CB 3.35Å; V31-K35 VanDerWaalsContact O-CG 3.29Å; V31-K35 WeakPolarHBondContact O-CG 3.36Å; V31-K35 PolarHBondContact O-N 3.06Å; V31-N64 HydrophobicContact CG2-CB 4.22Å; V31-L65 HydrophobicContact CB-CD2 4.25Å; V31-L65 HydrophobicContact CG1-CD2 4.32Å; V31-L65 HydrophobicContact CG2-CD2 3.95Å; V31-L65 HydrophobicContact CG2-CG 4.13Å |
| 32 | E | 82 | Confident | 79.1 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -81 | -21.1 | -177.4 | -64.5 | -53.6 | 134.5 | 0 | 0 | 112.9 | D30 K35 R36 | D30-E32 PolarHBondContact O-N 3.03Å; D30-E32 VanDerWaalsContact O-N 3.12Å; D30-E32 PolarHBondContact OD1-N 3.36Å; D30-E32 VanDerWaalsContact OD1-N 3.17Å; E32-K35 IonicContact OE1-NZ 2.67Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; E32-K35 IonicContact OE2-NZ 3.96Å; E32-R36 PolarHBondContact O-NE 3.38Å; E32-R36 PolarHBondContact O-NH2 3.07Å; E32-R36 VanDerWaalsContact O-NH2 3.08Å |
| 33 | K | 82.2 | Confident | 78.6 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.4 | -46.7 | 163 | -70.5 | -173.5 | -163.3 | 95.9 | 0 | 111.1 | V25 D30 K35 R36 I37 | V25-K33 HydrophobicContact CG1-CB 3.46Å; V25-K33 VanDerWaalsContact CG1-CB 3.46Å; V25-K33 HydrophobicContact CG1-CD 4.21Å; D30-K33 HydrophobicContact CB-CB 4.12Å; D30-K33 HydrophobicContact CB-CD 4.17Å; D30-K33 HydrophobicContact CB-CG 4.09Å; D30-K33 PolarHBondContact O-N 3.12Å; D30-K33 PolarHBondContact OD1-N 3.08Å; D30-K33 WeakPolarHBondContact OD2-CE 3.49Å; D30-K33 WeakPolarHBondContact OD2-CG 3.45Å; D30-K33 IonicContact OD2-NZ 2.67Å; D30-K33 PolarHBondContact OD2-NZ 3.2Å; K33-K35 PolarHBondContact O-N 3.06Å; K33-R36 WeakPolarHBondContact O-CB 3.34Å; K33-R36 PolarHBondContact O-N 2.93Å; K33-I37 PolarHBondContact O-N 3.36Å; K33-I37 VanDerWaalsContact O-N 3.16Å |
| 34 | V | 81.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.2 | -50 | -179 | 176.1 | 0 | 0 | 0 | 0 | 111 | V25 I26 D30 V31 R36 I37 F38 L65 F69 | V25-V34 HydrophobicContact CG1-CG2 3.87Å; I26-V34 HydrophobicContact CG1-CG1 4.1Å; I26-V34 HydrophobicContact CG1-CG2 3.79Å; D30-V34 WeakPolarHBondContact O-CG2 3.12Å; D30-V34 PolarHBondContact O-N 3.21Å; V31-V34 PolarHBondContact O-N 3Å; V34-R36 PolarHBondContact O-N 2.91Å; V34-I37 PolarHBondContact O-N 3.45Å; V34-F38 VanDerWaalsContact O-CB 3.25Å; V34-F38 WeakPolarHBondContact O-CB 3.19Å; V34-F38 PolarHBondContact O-N 3.31Å; V34-L65 HydrophobicContact CB-CD2 3.9Å; V34-L65 HydrophobicContact CG1-CD2 3.94Å; V34-L65 HydrophobicContact CG2-CD2 3.93Å; V34-F69 HydrophobicContact CG1-CE1 4.32Å; V34-F69 HydrophobicContact CG1-CE2 4.11Å; V34-F69 HydrophobicContact CG1-CZ 3.49Å; V34-F69 VanDerWaalsContact CG1-CZ 3.49Å |
| 35 | K | 81.1 | Confident | 78.3 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53.2 | -37.4 | 175.7 | -76.2 | 169.7 | 178.5 | 173.5 | 0 | 113.9 | V31 E32 K33 F68 | V31-K35 HydrophobicContact CG1-CD 4.19Å; V31-K35 WeakPolarHBondContact O-CB 3.35Å; V31-K35 VanDerWaalsContact O-CG 3.29Å; V31-K35 WeakPolarHBondContact O-CG 3.36Å; V31-K35 PolarHBondContact O-N 3.06Å; E32-K35 IonicContact OE1-NZ 2.67Å; E32-K35 PolarHBondContact OE1-NZ 3.44Å; E32-K35 IonicContact OE2-NZ 3.96Å; K33-K35 PolarHBondContact O-N 3.06Å; K35-F68 HydrophobicContact CB-CZ 4.35Å; K35-F68 HydrophobicContact CG-CD2 4.18Å; K35-F68 HydrophobicContact CG-CE1 4.17Å; K35-F68 HydrophobicContact CG-CE2 3.83Å; K35-F68 HydrophobicContact CG-CZ 3.82Å |
| 36 | R | 79.8 | Confident | 78.3 | Confident | 184 Ų | 184 | 65.8 Ų | 65.8 | 69% | 0.694 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -74.7 | -34.8 | -178.8 | -85 | 177.8 | -76.2 | 165.4 | -2.7 | 113.1 | E32 K33 V34 | E32-R36 PolarHBondContact O-NE 3.38Å; E32-R36 PolarHBondContact O-NH2 3.07Å; E32-R36 VanDerWaalsContact O-NH2 3.08Å; K33-R36 WeakPolarHBondContact O-CB 3.34Å; K33-R36 PolarHBondContact O-N 2.93Å; V34-R36 PolarHBondContact O-N 2.91Å |
| 37 | I | 77.3 | Confident | 78.3 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -80.1 | -46.3 | 179.2 | -60.7 | 174.1 | 0 | 0 | 0 | 110.1 | L22 V25 K33 V34 G39 S40 I41 | L22-I37 HydrophobicContact CB-CG2 4.38Å; L22-I37 HydrophobicContact CD1-CB 4.35Å; L22-I37 HydrophobicContact CD1-CG2 3.99Å; V25-I37 HydrophobicContact CB-CD1 4.08Å; V25-I37 HydrophobicContact CG1-CD1 4.01Å; V25-I37 HydrophobicContact CG2-CD1 3.86Å; K33-I37 PolarHBondContact O-N 3.36Å; K33-I37 VanDerWaalsContact O-N 3.16Å; V34-I37 PolarHBondContact O-N 3.45Å; I37-G39 VanDerWaalsContact C-N 3.27Å; I37-G39 PolarHBondContact O-N 3.07Å; I37-S40 PolarHBondContact O-N 3.45Å; I37-S40 PolarHBondContact O-OG 3.01Å; I37-I41 HydrophobicContact CG2-CD1 3.86Å |
| 38 | F | 73.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.9 | -28 | -170.2 | -178.1 | -107.8 | 0 | 0 | 0 | 114.3 | V34 S40 I41 P43 F68 F69 | V34-F38 VanDerWaalsContact O-CB 3.25Å; V34-F38 WeakPolarHBondContact O-CB 3.19Å; V34-F38 PolarHBondContact O-N 3.31Å; F38-S40 PolarHBondContact O-N 3.16Å; F38-I41 HydrophobicContact CD2-CB 4.5Å; F38-I41 PolarHBondContact O-N 3.42Å; F38-I41 VanDerWaalsContact O-O 3.06Å; F38-P43 HydrophobicContact CZ-CB 4.04Å; F38-F68 HydrophobicContact CB-CE1 4.27Å; F38-F68 AromaticContact CD1-CE1 3.63Å; F38-F68 HydrophobicContact CD1-CE1 3.63Å; F38-F68 AromaticContact CD1-CZ 3.74Å; F38-F68 HydrophobicContact CD1-CZ 3.74Å; F38-F68 HydrophobicContact CE1-CE1 4.31Å; F38-F68 HydrophobicContact CE1-CZ 4.44Å; F38-F68 HydrophobicContact CG-CE1 4.16Å; F38-F69 HydrophobicContact CD1-CE1 4.2Å; F38-F69 HydrophobicContact CD2-CD1 4.36Å; F38-F69 AromaticContact CD2-CE1 3.62Å; F38-F69 HydrophobicContact CD2-CE1 3.62Å; F38-F69 HydrophobicContact CE1-CD1 4.25Å; F38-F69 HydrophobicContact CE1-CE1 4.29Å; F38-F69 HydrophobicContact CE2-CD1 4.04Å; F38-F69 AromaticContact CE2-CE1 3.72Å; F38-F69 HydrophobicContact CE2-CE1 3.72Å; F38-F69 AromaticContact CG-CE1 3.86Å; F38-F69 HydrophobicContact CG-CE1 3.86Å; F38-F69 AromaticContact CZ-CD1 3.98Å; F38-F69 HydrophobicContact CZ-CD1 3.98Å; F38-F69 HydrophobicContact CZ-CE1 4.06Å |
| 39 | G | 70.4 | Confident | 78.3 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -2.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | I37 | I37-G39 VanDerWaalsContact C-N 3.27Å; I37-G39 PolarHBondContact O-N 3.07Å |
| 40 | S | 68.2 | Low | 78.7 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 0.5 | 173.4 | 64.8 | 0 | 0 | 0 | 0 | 114.6 | I37 F38 | I37-S40 PolarHBondContact O-N 3.45Å; I37-S40 PolarHBondContact O-OG 3.01Å; F38-S40 PolarHBondContact O-N 3.16Å |
| 41 | I | 69.9 | Low | 78.9 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -131.4 | 133.6 | -166 | -54.1 | -179.4 | 0 | 0 | 0 | 109.4 | V18 L22 I37 F38 V45 | V18-I41 HydrophobicContact CG1-CD1 4.23Å; L22-I41 HydrophobicContact CB-CD1 4.19Å; L22-I41 HydrophobicContact CD1-CD1 4.49Å; L22-I41 HydrophobicContact CD2-CD1 3.9Å; L22-I41 HydrophobicContact CD2-CG2 4.21Å; L22-I41 HydrophobicContact CG-CD1 4.41Å; I37-I41 HydrophobicContact CG2-CD1 3.86Å; F38-I41 HydrophobicContact CD2-CB 4.5Å; F38-I41 PolarHBondContact O-N 3.42Å; F38-I41 VanDerWaalsContact O-O 3.06Å; I41-V45 HydrophobicContact CG2-CB 3.95Å; I41-V45 HydrophobicContact CG2-CG1 4.37Å; I41-V45 HydrophobicContact CG2-CG2 3.52Å |
| 42 | P | 72.4 | Confident | 79.3 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | trans | -69.6 | 153.2 | 177.7 | 23 | -26.1 | 0 | 0 | 0 | 112.4 | H44 V45 | P42-H44 PolarHBondContact O-N 3.31Å; P42-H44 VanDerWaalsContact O-N 3.13Å; P42-V45 HydrophobicContact CG-CG2 3.76Å; P42-V45 PolarHBondContact O-N 3.34Å | ||
| 43 | P | 71.3 | Confident | 79.6 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.6 | -176 | 21.7 | -32.2 | 0 | 0 | 0 | 114.9 | F38 | F38-P43 HydrophobicContact CZ-CB 4.04Š|
| 44 | H | 76.2 | Confident | 80 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 38.1 | -177.2 | -41 | -70 | 0 | 0 | 0 | 112.6 | P42 | P42-H44 PolarHBondContact O-N 3.31Å; P42-H44 VanDerWaalsContact O-N 3.13Å |
| 45 | V | 83.2 | Confident | 80.5 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | trans | -88.4 | 119.1 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | K19 F23 I41 P42 P53 | K19-V45 HydrophobicContact CD-CG1 4.08Å; K19-V45 HydrophobicContact CG-CG1 4.06Å; F23-V45 WeakPolarHBondContact CZ-O 3.46Å; I41-V45 HydrophobicContact CG2-CB 3.95Å; I41-V45 HydrophobicContact CG2-CG1 4.37Å; I41-V45 HydrophobicContact CG2-CG2 3.52Å; P42-V45 HydrophobicContact CG-CG2 3.76Å; P42-V45 PolarHBondContact O-N 3.34Å; V45-P53 WeakPolarHBondContact O-CD 3.32Å | ||
| 46 | E | 83.1 | Confident | 80.9 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 46% | 0.458 | 29% | 0.29 | S | S | . | . | trans | -85.8 | 151.8 | 172.6 | -62.6 | 119.3 | -162.2 | 0 | 0 | 112.7 | K19 E51 T52 | K19-E46 PolarHBondContact NZ-O 3.39Å; E46-E51 WeakPolarHBondContact CA-O 3.39Å; E46-T52 HydrophobicContact CG-CG2 4.38Å | ||
| 47 | N | 85.4 | Confident | 81.5 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | trans | -81.6 | -159.8 | 166.6 | 71.5 | -1.8 | 0 | 0 | 0 | 111.8 | F23 D49 G50 E51 | F23-N47 HydrophobicContact CD1-CB 4.44Å; F23-N47 HydrophobicContact CD2-CB 3.7Å; F23-N47 HydrophobicContact CE1-CB 4.27Å; F23-N47 HydrophobicContact CE2-CB 3.54Å; F23-N47 HydrophobicContact CG-CB 4.17Å; F23-N47 HydrophobicContact CZ-CB 3.84Å; N47-D49 VanDerWaalsContact C-N 3.31Å; N47-D49 WeakPolarHBondContact OD1-CA 3.26Å; N47-D49 PolarHBondContact OD1-N 3.43Å; N47-G50 PolarHBondContact OD1-N 3.14Å; N47-G50 VanDerWaalsContact OD1-N 3.12Å; N47-E51 PolarHBondContact N-O 3.11Å; N47-E51 VanDerWaalsContact N-O 3.1Å; N47-E51 PolarHBondContact ND2-OE2 3.43Å; N47-E51 PolarHBondContact OD1-N 2.85Å | ||
| 48 | E | 84.2 | Confident | 82.2 | Confident | 180 Ų | 180 | 42.2 Ų | 42.2 | 84% | 0.841 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.7 | 178 | -60.3 | -169.8 | 161.4 | 0 | 0 | 113.6 | ||
| 49 | D | 81.5 | Confident | 83 | Confident | 106 Ų | 106 | 44.8 Ų | 44.8 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 5.8 | 179.7 | -50 | -71.3 | 0 | 0 | 0 | 112.7 | N47 E51 D81 | N47-D49 VanDerWaalsContact C-N 3.31Å; N47-D49 WeakPolarHBondContact OD1-CA 3.26Å; N47-D49 PolarHBondContact OD1-N 3.43Å; D49-E51 HydrophobicContact CB-CG 4.35Å; D49-D81 PolarHBondContact O-N 3.45Å |
| 50 | G | 85.5 | Confident | 84 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 81.1 | 1.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N47 D80 | N47-G50 PolarHBondContact OD1-N 3.14Å; N47-G50 VanDerWaalsContact OD1-N 3.12Å; G50-D80 WeakPolarHBondContact O-CA 3.3Å |
| 51 | E | 87.3 | Confident | 85.1 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | trans | -75 | 135.2 | -178.1 | -52.7 | -176.2 | 101.5 | 0 | 0 | 112.8 | F23 E46 N47 D49 L55 V56 R59 D80 | F23-E51 VanDerWaalsContact CZ-O 3.31Å; F23-E51 WeakPolarHBondContact CZ-O 3.38Å; E46-E51 WeakPolarHBondContact CA-O 3.39Å; N47-E51 PolarHBondContact N-O 3.11Å; N47-E51 VanDerWaalsContact N-O 3.1Å; N47-E51 PolarHBondContact ND2-OE2 3.43Å; N47-E51 PolarHBondContact OD1-N 2.85Å; D49-E51 HydrophobicContact CB-CG 4.35Å; E51-L55 HydrophobicContact CB-CD2 3.8Å; E51-L55 HydrophobicContact CG-CD2 3.67Å; E51-V56 HydrophobicContact CB-CG2 3.7Å; E51-V56 HydrophobicContact CG-CG2 4.37Å; E51-V56 WeakPolarHBondContact OE2-CG2 3.31Å; E51-R59 VanDerWaalsContact CD-NH2 3.27Å; E51-R59 IonicContact OE1-CZ 3.07Å; E51-R59 VanDerWaalsContact OE1-CZ 3.27Å; E51-R59 IonicContact OE1-NE 3.68Å; E51-R59 PolarHBondContact OE1-NE 2.68Å; E51-R59 IonicContact OE1-NH2 2.68Å; E51-R59 PolarHBondContact OE1-NH2 3.03Å; E51-R59 IonicContact OE2-CZ 2.77Å; E51-R59 IonicContact OE2-NE 3.88Å; E51-R59 IonicContact OE2-NH2 3.71Å; E51-R59 PolarHBondContact OE2-NH2 3.46Å; E51-D80 HydrophobicContact CG-CB 4.13Å | ||
| 52 | T | 89.1 | Confident | 86.2 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | trans | -87.3 | 163.2 | 170.3 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | E46 L54 L55 V56 A78 | E46-T52 HydrophobicContact CG-CG2 4.38Å; T52-L54 PolarHBondContact O-N 3.24Å; T52-L55 WeakPolarHBondContact O-CB 3.22Å; T52-L55 PolarHBondContact O-N 3.49Å; T52-L55 PolarHBondContact OG1-N 3.47Å; T52-V56 PolarHBondContact O-N 3.44Å; T52-A78 HydrophobicContact CG2-CB 4.05Å | ||
| 53 | P | 88.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -33.2 | 179.8 | -26.1 | 38 | 0 | 0 | 0 | 113.3 | L22 F23 I26 V45 S57 F69 | L22-P53 HydrophobicContact CD2-CG 4.08Å; F23-P53 HydrophobicContact CE1-CG 4.31Å; F23-P53 HydrophobicContact CZ-CG 4.26Å; I26-P53 HydrophobicContact CD1-CB 3.73Å; V45-P53 WeakPolarHBondContact O-CD 3.32Å; P53-S57 VanDerWaalsContact O-CB 3.31Å; P53-S57 WeakPolarHBondContact O-CB 3.45Å; P53-S57 PolarHBondContact O-N 3.21Å; P53-S57 PolarHBondContact O-OG 3.02Å; P53-F69 HydrophobicContact CB-CD1 4.01Å; P53-F69 HydrophobicContact CB-CD2 4.35Å; P53-F69 HydrophobicContact CB-CE1 3.57Å; P53-F69 HydrophobicContact CB-CE2 3.94Å; P53-F69 HydrophobicContact CB-CG 4.39Å; P53-F69 HydrophobicContact CB-CZ 3.52Å; P53-F69 HydrophobicContact CG-CE1 4.48Å |
| 54 | L | 91.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 174 | 179.8 | 63 | 0 | 0 | 0 | 111.4 | T52 S57 A58 V66 F69 L70 L102 | T52-L54 PolarHBondContact O-N 3.24Å; L54-S57 WeakPolarHBondContact O-CB 3.48Å; L54-S57 PolarHBondContact O-N 3.42Å; L54-A58 WeakPolarHBondContact O-CB 3.28Å; L54-A58 PolarHBondContact O-N 3.23Å; L54-V66 HydrophobicContact CD1-CB 4.42Å; L54-V66 HydrophobicContact CD1-CG1 4Å; L54-F69 HydrophobicContact CB-CB 4.1Å; L54-F69 HydrophobicContact CD1-CB 3.86Å; L54-L70 HydrophobicContact CD1-CD2 4.03Å; L54-L70 HydrophobicContact CD1-CG 3.87Å; L54-L70 HydrophobicContact CD2-CD2 3.71Å; L54-L70 HydrophobicContact CD2-CG 4.44Å; L54-L102 HydrophobicContact CD1-CD2 4.38Å |
| 55 | L | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | -178.8 | -163 | 124 | 0 | 0 | 0 | 111.8 | E51 T52 S57 A58 R59 D80 F84 N89 | E51-L55 HydrophobicContact CB-CD2 3.8Å; E51-L55 HydrophobicContact CG-CD2 3.67Å; T52-L55 WeakPolarHBondContact O-CB 3.22Å; T52-L55 PolarHBondContact O-N 3.49Å; T52-L55 PolarHBondContact OG1-N 3.47Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 3.49Å; L55-A58 PolarHBondContact O-N 3.44Å; L55-R59 WeakPolarHBondContact O-CB 3.31Å; L55-R59 PolarHBondContact O-N 3.22Å; L55-D80 HydrophobicContact CD2-CB 4.21Å; L55-D80 WeakPolarHBondContact CD2-OD2 3.47Å; L55-F84 WeakPolarHBondContact CD1-O 3.24Å; L55-N89 WeakPolarHBondContact CD2-ND2 3.31Å |
| 56 | V | 90 | Very high | 89.2 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 173.4 | -178 | 0 | 0 | 0 | 0 | 111 | F23 I26 L27 E51 T52 A58 R59 I60 | F23-V56 HydrophobicContact CD1-CB 4.38Å; F23-V56 HydrophobicContact CD1-CG2 3.77Å; F23-V56 HydrophobicContact CE1-CG2 3.82Å; I26-V56 HydrophobicContact CG2-CB 4.21Å; I26-V56 HydrophobicContact CG2-CG1 3.73Å; L27-V56 HydrophobicContact CD2-CG1 4.34Å; L27-V56 HydrophobicContact CG-CG1 4.5Å; E51-V56 HydrophobicContact CB-CG2 3.7Å; E51-V56 HydrophobicContact CG-CG2 4.37Å; E51-V56 WeakPolarHBondContact OE2-CG2 3.31Å; T52-V56 PolarHBondContact O-N 3.44Å; V56-A58 VanDerWaalsContact C-N 3.33Å; V56-A58 PolarHBondContact O-N 3.13Å; V56-R59 PolarHBondContact O-N 3.26Å; V56-I60 HydrophobicContact CG1-CD1 3.99Å; V56-I60 VanDerWaalsContact O-CG1 3.3Å; V56-I60 WeakPolarHBondContact O-CG1 3.24Å; V56-I60 PolarHBondContact O-N 3.49Å |
| 57 | S | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 176 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | P53 L54 L55 G61 N62 L65 F69 | P53-S57 VanDerWaalsContact O-CB 3.31Å; P53-S57 WeakPolarHBondContact O-CB 3.45Å; P53-S57 PolarHBondContact O-N 3.21Å; P53-S57 PolarHBondContact O-OG 3.02Å; L54-S57 WeakPolarHBondContact O-CB 3.48Å; L54-S57 PolarHBondContact O-N 3.42Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 3.49Å; S57-G61 PolarHBondContact O-N 2.87Å; S57-N62 PolarHBondContact O-N 3.17Å; S57-L65 WeakPolarHBondContact OG-CB 3.38Å; S57-F69 WeakPolarHBondContact OG-CD2 3.38Å; S57-F69 WeakPolarHBondContact OG-CE2 3.48Å |
| 58 | A | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.2 | -32.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L54 L55 V56 G61 V66 S86 V98 L102 | L54-A58 WeakPolarHBondContact O-CB 3.28Å; L54-A58 PolarHBondContact O-N 3.23Å; L55-A58 PolarHBondContact O-N 3.44Å; V56-A58 VanDerWaalsContact C-N 3.33Å; V56-A58 PolarHBondContact O-N 3.13Å; A58-G61 PolarHBondContact O-N 2.89Å; A58-V66 HydrophobicContact CB-CG2 4.23Å; A58-S86 WeakPolarHBondContact CB-O 3.39Å; A58-V98 HydrophobicContact CB-CG1 4.08Å; A58-L102 HydrophobicContact CB-CD1 4.19Å |
| 59 | R | 91.3 | Very high | 90.1 | Very high | 69 Ų | 69 | 24.4 Ų | 24.4 | 26% | 0.26 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 171.3 | 175.3 | 164 | 62.8 | 78.4 | -13.9 | 112.5 | E51 L55 V56 N89 Y93 | E51-R59 VanDerWaalsContact CD-NH2 3.27Å; E51-R59 IonicContact OE1-CZ 3.07Å; E51-R59 VanDerWaalsContact OE1-CZ 3.27Å; E51-R59 IonicContact OE1-NE 3.68Å; E51-R59 PolarHBondContact OE1-NE 2.68Å; E51-R59 IonicContact OE1-NH2 2.68Å; E51-R59 PolarHBondContact OE1-NH2 3.03Å; E51-R59 IonicContact OE2-CZ 2.77Å; E51-R59 IonicContact OE2-NE 3.88Å; E51-R59 IonicContact OE2-NH2 3.71Å; E51-R59 PolarHBondContact OE2-NH2 3.46Å; L55-R59 WeakPolarHBondContact O-CB 3.31Å; L55-R59 PolarHBondContact O-N 3.22Å; V56-R59 PolarHBondContact O-N 3.26Å; R59-N89 HydrophobicContact CB-CB 4.14Å; R59-Y93 HydrophobicContact CG-CD2 4.49Å; R59-Y93 HydrophobicContact CG-CE2 3.81Å |
| 60 | I | 90.9 | Very high | 90.5 | Very high | 25 Ų | 25 | 20.9 Ų | 20.9 | 13% | 0.128 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70 | -44.5 | 172 | -67.6 | 164.5 | 0 | 0 | 0 | 110.5 | I26 L27 E29 V56 N62 Y95 | I26-I60 HydrophobicContact CG2-CD1 3.72Å; I26-I60 VanDerWaalsContact O-CD1 3.32Å; I26-I60 WeakPolarHBondContact O-CD1 3.32Å; L27-I60 HydrophobicContact CD2-CD1 4.07Å; L27-I60 HydrophobicContact CD2-CG1 4.26Å; E29-I60 HydrophobicContact CG-CG2 3.83Å; E29-I60 WeakPolarHBondContact OE1-CG2 3.32Å; V56-I60 HydrophobicContact CG1-CD1 3.99Å; V56-I60 VanDerWaalsContact O-CG1 3.3Å; V56-I60 WeakPolarHBondContact O-CG1 3.24Å; V56-I60 PolarHBondContact O-N 3.49Å; I60-N62 HydrophobicContact CG2-CB 4.2Å; I60-Y95 VanDerWaalsContact O-CE2 3.24Å; I60-Y95 WeakPolarHBondContact O-CE2 3.3Å; I60-Y95 PolarHBondContact O-OH 2.9Å |
| 61 | G | 91.2 | Very high | 90.6 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 21% | 0.206 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | 10.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S57 A58 A63 V98 | S57-G61 PolarHBondContact O-N 2.87Å; A58-G61 PolarHBondContact O-N 2.89Å; G61-A63 PolarHBondContact O-N 3.25Å; G61-A63 VanDerWaalsContact O-N 3.08Å; G61-V98 WeakPolarHBondContact O-CG2 3.48Å |
| 62 | N | 92.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 11% | 0.107 | 15% | 0.146 | C | C | . | . | trans | -79.6 | 93.8 | -177.2 | -172.5 | -31.7 | 0 | 0 | 0 | 110.7 | E29 S57 I60 N64 L65 V66 | E29-N62 PolarHBondContact O-ND2 3.33Å; S57-N62 PolarHBondContact O-N 3.17Å; I60-N62 HydrophobicContact CG2-CB 4.2Å; N62-N64 PolarHBondContact O-N 3.48Å; N62-N64 VanDerWaalsContact O-N 3.12Å; N62-N64 WeakPolarHBondContact OD1-CB 3.45Å; N62-N64 PolarHBondContact OD1-N 3.28Å; N62-L65 HydrophobicContact CB-CB 4.19Å; N62-L65 HydrophobicContact CB-CD1 4.04Å; N62-L65 HydrophobicContact CB-CG 4.16Å; N62-L65 PolarHBondContact O-N 3.43Å; N62-L65 PolarHBondContact OD1-N 2.9Å; N62-V66 PolarHBondContact O-N 3.26Å | ||
| 63 | A | 92.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 31 Ų | 31 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -27.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G61 R67 E97 V98 L101 | G61-A63 PolarHBondContact O-N 3.25Å; G61-A63 VanDerWaalsContact O-N 3.08Å; A63-R67 VanDerWaalsContact O-CB 3.26Å; A63-R67 WeakPolarHBondContact O-CB 3.26Å; A63-R67 PolarHBondContact O-N 3Å; A63-E97 HydrophobicContact CB-CG 4.05Å; A63-V98 HydrophobicContact CB-CG2 4.08Å; A63-L101 HydrophobicContact CB-CD1 3.98Å |
| 64 | N | 91.5 | Very high | 90.2 | Very high | 95 Ų | 95 | 31.2 Ų | 31.2 | 51% | 0.508 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.8 | -39.3 | 176.6 | -64.7 | -51.9 | 0 | 0 | 0 | 112.3 | V31 N62 F68 | V31-N64 HydrophobicContact CG2-CB 4.22Å; N62-N64 PolarHBondContact O-N 3.48Å; N62-N64 VanDerWaalsContact O-N 3.12Å; N62-N64 WeakPolarHBondContact OD1-CB 3.45Å; N62-N64 PolarHBondContact OD1-N 3.28Å; N64-F68 WeakPolarHBondContact O-CB 3.29Å; N64-F68 PolarHBondContact O-N 3.17Å |
| 65 | L | 90.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 172 | -69.9 | -179.1 | 0 | 0 | 0 | 111.1 | I26 V31 V34 S57 N62 R67 F68 F69 | I26-L65 HydrophobicContact CG2-CD1 4.28Å; V31-L65 HydrophobicContact CB-CD2 4.25Å; V31-L65 HydrophobicContact CG1-CD2 4.32Å; V31-L65 HydrophobicContact CG2-CD2 3.95Å; V31-L65 HydrophobicContact CG2-CG 4.13Å; V34-L65 HydrophobicContact CB-CD2 3.9Å; V34-L65 HydrophobicContact CG1-CD2 3.94Å; V34-L65 HydrophobicContact CG2-CD2 3.93Å; S57-L65 WeakPolarHBondContact OG-CB 3.38Å; N62-L65 HydrophobicContact CB-CB 4.19Å; N62-L65 HydrophobicContact CB-CD1 4.04Å; N62-L65 HydrophobicContact CB-CG 4.16Å; N62-L65 PolarHBondContact O-N 3.43Å; N62-L65 PolarHBondContact OD1-N 2.9Å; L65-R67 PolarHBondContact O-N 3.24Å; L65-F68 PolarHBondContact O-N 2.94Å; L65-F69 HydrophobicContact CB-CD2 4.35Å; L65-F69 HydrophobicContact CB-CE2 4.25Å; L65-F69 HydrophobicContact CD2-CE2 4.48Å; L65-F69 WeakPolarHBondContact O-CD2 3.35Å; L65-F69 PolarHBondContact O-N 3.45Å |
| 66 | V | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 111 | L54 A58 N62 F68 F69 L70 V98 L102 | L54-V66 HydrophobicContact CD1-CB 4.42Å; L54-V66 HydrophobicContact CD1-CG1 4Å; A58-V66 HydrophobicContact CB-CG2 4.23Å; N62-V66 PolarHBondContact O-N 3.26Å; V66-F68 PolarHBondContact O-N 3.29Å; V66-F69 PolarHBondContact O-N 3.47Å; V66-L70 HydrophobicContact CG1-CD1 3.78Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.44Å; V66-L70 PolarHBondContact O-N 3Å; V66-V98 HydrophobicContact CG1-CG1 4.28Å; V66-V98 HydrophobicContact CG2-CG1 3.99Å; V66-L102 HydrophobicContact CG1-CD2 4.14Å; V66-L102 HydrophobicContact CG1-CG 4.19Å |
| 67 | R | 92.7 | Very high | 90.1 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 175.4 | -172.5 | 177.8 | -67.5 | 115 | -0.6 | 111.7 | A63 L65 F69 L70 E71 E97 L101 | A63-R67 VanDerWaalsContact O-CB 3.26Å; A63-R67 WeakPolarHBondContact O-CB 3.26Å; A63-R67 PolarHBondContact O-N 3Å; L65-R67 PolarHBondContact O-N 3.24Å; R67-F69 PolarHBondContact O-N 3.49Å; R67-L70 PolarHBondContact O-N 3.32Å; R67-E71 VanDerWaalsContact CG-OE1 3.32Å; R67-E71 WeakPolarHBondContact CG-OE1 3.5Å; R67-E71 WeakPolarHBondContact O-CB 3.44Å; R67-E71 VanDerWaalsContact O-CG 3.3Å; R67-E71 WeakPolarHBondContact O-CG 3.37Å; R67-E71 PolarHBondContact O-N 2.9Å; R67-E97 IonicContact NH2-OE1 2.71Å; R67-E97 PolarHBondContact NH2-OE1 3.08Å; R67-L101 HydrophobicContact CB-CD1 4.46Å |
| 68 | F | 89.2 | Confident | 90.1 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 18% | 0.184 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 177.8 | 172.7 | -108.2 | 0 | 0 | 0 | 113.5 | K35 F38 N64 L65 V66 S72 | K35-F68 HydrophobicContact CB-CZ 4.35Å; K35-F68 HydrophobicContact CG-CD2 4.18Å; K35-F68 HydrophobicContact CG-CE1 4.17Å; K35-F68 HydrophobicContact CG-CE2 3.83Å; K35-F68 HydrophobicContact CG-CZ 3.82Å; F38-F68 HydrophobicContact CB-CE1 4.27Å; F38-F68 AromaticContact CD1-CE1 3.63Å; F38-F68 HydrophobicContact CD1-CE1 3.63Å; F38-F68 AromaticContact CD1-CZ 3.74Å; F38-F68 HydrophobicContact CD1-CZ 3.74Å; F38-F68 HydrophobicContact CE1-CE1 4.31Å; F38-F68 HydrophobicContact CE1-CZ 4.44Å; F38-F68 HydrophobicContact CG-CE1 4.16Å; N64-F68 WeakPolarHBondContact O-CB 3.29Å; N64-F68 PolarHBondContact O-N 3.17Å; L65-F68 PolarHBondContact O-N 2.94Å; V66-F68 PolarHBondContact O-N 3.29Å; F68-S72 WeakPolarHBondContact O-CB 3.35Å; F68-S72 PolarHBondContact O-N 2.96Å; F68-S72 PolarHBondContact O-OG 3.12Å |
| 69 | F | 88.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.5 | -33.6 | 179.1 | -73.3 | -57.9 | 0 | 0 | 0 | 112.9 | I26 V34 F38 P53 L54 S57 L65 V66 R67 S72 G73 G74 | I26-F69 HydrophobicContact CD1-CE2 4.23Å; I26-F69 HydrophobicContact CD1-CZ 3.9Å; I26-F69 HydrophobicContact CG1-CE2 4.48Å; I26-F69 HydrophobicContact CG1-CZ 4.32Å; V34-F69 HydrophobicContact CG1-CE1 4.32Å; V34-F69 HydrophobicContact CG1-CE2 4.11Å; V34-F69 HydrophobicContact CG1-CZ 3.49Å; V34-F69 VanDerWaalsContact CG1-CZ 3.49Å; F38-F69 HydrophobicContact CD1-CE1 4.2Å; F38-F69 HydrophobicContact CD2-CD1 4.36Å; F38-F69 AromaticContact CD2-CE1 3.62Å; F38-F69 HydrophobicContact CD2-CE1 3.62Å; F38-F69 HydrophobicContact CE1-CD1 4.25Å; F38-F69 HydrophobicContact CE1-CE1 4.29Å; F38-F69 HydrophobicContact CE2-CD1 4.04Å; F38-F69 AromaticContact CE2-CE1 3.72Å; F38-F69 HydrophobicContact CE2-CE1 3.72Å; F38-F69 AromaticContact CG-CE1 3.86Å; F38-F69 HydrophobicContact CG-CE1 3.86Å; F38-F69 AromaticContact CZ-CD1 3.98Å; F38-F69 HydrophobicContact CZ-CD1 3.98Å; F38-F69 HydrophobicContact CZ-CE1 4.06Å; P53-F69 HydrophobicContact CB-CD1 4.01Å; P53-F69 HydrophobicContact CB-CD2 4.35Å; P53-F69 HydrophobicContact CB-CE1 3.57Å; P53-F69 HydrophobicContact CB-CE2 3.94Å; P53-F69 HydrophobicContact CB-CG 4.39Å; P53-F69 HydrophobicContact CB-CZ 3.52Å; P53-F69 HydrophobicContact CG-CE1 4.48Å; L54-F69 HydrophobicContact CB-CB 4.1Å; L54-F69 HydrophobicContact CD1-CB 3.86Å; S57-F69 WeakPolarHBondContact OG-CD2 3.38Å; S57-F69 WeakPolarHBondContact OG-CE2 3.48Å; L65-F69 HydrophobicContact CB-CD2 4.35Å; L65-F69 HydrophobicContact CB-CE2 4.25Å; L65-F69 HydrophobicContact CD2-CE2 4.48Å; L65-F69 WeakPolarHBondContact O-CD2 3.35Å; L65-F69 PolarHBondContact O-N 3.45Å; V66-F69 PolarHBondContact O-N 3.47Å; R67-F69 PolarHBondContact O-N 3.49Å; F69-S72 PolarHBondContact O-N 2.99Å; F69-G73 PolarHBondContact O-N 3.02Å; F69-G74 PolarHBondContact O-N 2.68Å |
| 70 | L | 89.6 | Confident | 89.9 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -46.1 | 171.9 | -67.2 | 168 | 0 | 0 | 0 | 111.6 | L54 V66 R67 S72 G73 P76 L101 L102 A105 | L54-L70 HydrophobicContact CD1-CD2 4.03Å; L54-L70 HydrophobicContact CD1-CG 3.87Å; L54-L70 HydrophobicContact CD2-CD2 3.71Å; L54-L70 HydrophobicContact CD2-CG 4.44Å; V66-L70 HydrophobicContact CG1-CD1 3.78Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.44Å; V66-L70 PolarHBondContact O-N 3Å; R67-L70 PolarHBondContact O-N 3.32Å; L70-S72 PolarHBondContact O-N 2.68Å; L70-G73 PolarHBondContact O-N 2.82Å; L70-P76 HydrophobicContact CD2-CB 4.02Å; L70-L101 HydrophobicContact CD1-CB 4.47Å; L70-L102 HydrophobicContact CD1-CD2 4.26Å; L70-L102 HydrophobicContact CD2-CD2 4.3Å; L70-A105 HydrophobicContact CD1-CB 3.91Å; L70-A105 HydrophobicContact CD2-CB 3.8Å; L70-A105 HydrophobicContact CG-CB 4.31Å |
| 71 | E | 88.6 | Confident | 89.8 | Confident | 148 Ų | 148 | 44 Ų | 44 | 69% | 0.692 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.5 | -27.5 | 173.4 | -74.5 | 171.6 | -174.9 | 0 | 0 | 112.4 | R67 G73 | R67-E71 VanDerWaalsContact CG-OE1 3.32Å; R67-E71 WeakPolarHBondContact CG-OE1 3.5Å; R67-E71 WeakPolarHBondContact O-CB 3.44Å; R67-E71 VanDerWaalsContact O-CG 3.3Å; R67-E71 WeakPolarHBondContact O-CG 3.37Å; R67-E71 PolarHBondContact O-N 2.9Å; E71-G73 VanDerWaalsContact C-N 3.31Å |
| 72 | S | 85.8 | Confident | 89.5 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.4 | 175.9 | -58.2 | 0 | 0 | 0 | 0 | 114.6 | F68 F69 L70 | F68-S72 WeakPolarHBondContact O-CB 3.35Å; F68-S72 PolarHBondContact O-N 2.96Å; F68-S72 PolarHBondContact O-OG 3.12Å; F69-S72 PolarHBondContact O-N 2.99Å; L70-S72 PolarHBondContact O-N 2.68Å |
| 73 | G | 84.5 | Confident | 89.2 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 21.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | F69 L70 E71 | F69-G73 PolarHBondContact O-N 3.02Å; L70-G73 PolarHBondContact O-N 2.82Å; E71-G73 VanDerWaalsContact C-N 3.31Å |
| 74 | G | 85.9 | Confident | 89.2 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | trans | -65.6 | 132.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F69 P76 | F69-G74 PolarHBondContact O-N 2.68Å; G74-P76 WeakPolarHBondContact O-CD 3.43Å | ||
| 75 | D | 88.9 | Confident | 89.2 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | trans | -72.1 | 117.4 | 179.9 | -176.3 | -7.1 | 0 | 0 | 0 | 110.6 | N77 A78 | D75-N77 PolarHBondContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.43Å; D75-N77 PolarHBondContact OD1-N 3.04Å; D75-N77 PolarHBondContact OD1-ND2 2.69Å; D75-A78 HydrophobicContact CB-CB 4.35Å; D75-A78 WeakPolarHBondContact O-CB 3.2Å; D75-A78 PolarHBondContact O-N 3.02Å | ||
| 76 | P | 90.3 | Very high | 89.3 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.6 | 179 | 26.8 | -34.3 | 0 | 0 | 0 | 113.9 | L70 G74 L102 A107 | L70-P76 HydrophobicContact CD2-CB 4.02Å; G74-P76 WeakPolarHBondContact O-CD 3.43Å; P76-L102 HydrophobicContact CB-CD2 4.36Å; P76-A107 HydrophobicContact CB-CB 3.96Å |
| 77 | N | 91.4 | Very high | 89.4 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 4 | -179.2 | -53.2 | -70.9 | 0 | 0 | 0 | 113.3 | D75 G106 A107 S108 | D75-N77 PolarHBondContact O-N 3.1Å; D75-N77 WeakPolarHBondContact OD1-CB 3.43Å; D75-N77 PolarHBondContact OD1-N 3.04Å; D75-N77 PolarHBondContact OD1-ND2 2.69Å; N77-G106 PolarHBondContact ND2-O 3.42Å; N77-A107 WeakPolarHBondContact OD1-CA 3.42Å; N77-S108 PolarHBondContact OD1-N 3.41Å |
| 78 | A | 90.1 | Very high | 89.5 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | trans | -57.6 | 143.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T52 D75 | T52-A78 HydrophobicContact CG2-CB 4.05Å; D75-A78 HydrophobicContact CB-CB 4.35Å; D75-A78 WeakPolarHBondContact O-CB 3.2Å; D75-A78 PolarHBondContact O-N 3.02Å | ||
| 79 | K | 90 | Very high | 89.7 | Confident | 58 Ų | 58 | 41.9 Ų | 41.9 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -124.5 | 148.7 | -177.8 | -67.2 | -170.4 | 173.6 | -167.3 | 0 | 112.2 | M83 F84 D111 E112 | K79-M83 HydrophobicContact CD-CB 4.19Å; K79-M83 HydrophobicContact CD-CE 3.97Å; K79-M83 WeakPolarHBondContact CD-O 3.48Å; K79-M83 HydrophobicContact CD-SD 3.82Å; K79-F84 VanDerWaalsContact CA-O 3.23Å; K79-F84 WeakPolarHBondContact CA-O 3.41Å; K79-D111 WeakPolarHBondContact CE-OD1 3.37Å; K79-D111 IonicContact NZ-OD1 2.68Å; K79-D111 PolarHBondContact NZ-OD1 3.01Å; K79-E112 PolarHBondContact NZ-O 3.46Å |
| 80 | D | 90.2 | Very high | 90 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | trans | -86.8 | -178.5 | 169.3 | 62.5 | 25 | 0 | 0 | 0 | 112.5 | G50 E51 L55 E82 M83 F84 | G50-D80 WeakPolarHBondContact O-CA 3.3Å; E51-D80 HydrophobicContact CG-CB 4.13Å; L55-D80 HydrophobicContact CD2-CB 4.21Å; L55-D80 WeakPolarHBondContact CD2-OD2 3.47Å; D80-E82 PolarHBondContact O-N 2.81Å; D80-E82 WeakPolarHBondContact OD1-CA 3.21Å; D80-E82 PolarHBondContact OD1-N 3.23Å; D80-E82 VanDerWaalsContact OD1-N 3.08Å; D80-M83 WeakPolarHBondContact O-CA 3.46Å; D80-M83 PolarHBondContact O-N 2.96Å; D80-M83 PolarHBondContact OD1-N 3.19Å; D80-M83 VanDerWaalsContact OD1-N 3.16Å; D80-F84 PolarHBondContact N-O 2.88Å; D80-F84 VanDerWaalsContact N-O 3.16Å; D80-F84 WeakPolarHBondContact OD1-CB 3.42Å; D80-F84 PolarHBondContact OD1-N 2.68Å; D80-F84 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 81 | D | 88.2 | Confident | 90.2 | Very high | 129 Ų | 129 | 40.2 Ų | 40.2 | 69% | 0.69 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.9 | -179 | -77.3 | -17.6 | 0 | 0 | 0 | 113.4 | D49 M83 | D49-D81 PolarHBondContact O-N 3.45Å; D81-M83 VanDerWaalsContact C-N 3.31Å |
| 82 | E | 85.1 | Confident | 90.5 | Very high | 126 Ų | 126 | 34.6 Ų | 34.6 | 59% | 0.589 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 7 | 170.1 | -71.4 | -162.5 | 164.1 | 0 | 0 | 112.8 | D80 F84 V114 | D80-E82 PolarHBondContact O-N 2.81Å; D80-E82 WeakPolarHBondContact OD1-CA 3.21Å; D80-E82 PolarHBondContact OD1-N 3.23Å; D80-E82 VanDerWaalsContact OD1-N 3.08Å; E82-F84 HydrophobicContact CB-CD2 3.72Å; E82-F84 HydrophobicContact CB-CE2 4.14Å; E82-F84 PolarHBondContact O-N 3.11Å; E82-V114 WeakPolarHBondContact O-CG2 3.43Å; E82-V114 PolarHBondContact O-N 3.36Å |
| 83 | M | 87.4 | Confident | 90.9 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 43% | 0.429 | 20% | 0.198 | S | C | . | . | trans | 60.7 | 16.8 | -174.4 | -65.9 | -85.7 | -74.4 | 0 | 0 | 114.6 | K79 D80 D81 V114 | K79-M83 HydrophobicContact CD-CB 4.19Å; K79-M83 HydrophobicContact CD-CE 3.97Å; K79-M83 WeakPolarHBondContact CD-O 3.48Å; K79-M83 HydrophobicContact CD-SD 3.82Å; D80-M83 WeakPolarHBondContact O-CA 3.46Å; D80-M83 PolarHBondContact O-N 2.96Å; D80-M83 PolarHBondContact OD1-N 3.19Å; D80-M83 VanDerWaalsContact OD1-N 3.16Å; D81-M83 VanDerWaalsContact C-N 3.31Å; M83-V114 HydrophobicContact CB-CG2 4.02Å; M83-V114 HydrophobicContact CG-CG2 3.85Å | ||
| 84 | F | 91.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | trans | -67.9 | 136.4 | 170.7 | -81.5 | -92.4 | 0 | 0 | 0 | 109.8 | L55 K79 D80 E82 L88 K92 D113 W122 | L55-F84 WeakPolarHBondContact CD1-O 3.24Å; K79-F84 VanDerWaalsContact CA-O 3.23Å; K79-F84 WeakPolarHBondContact CA-O 3.41Å; D80-F84 PolarHBondContact N-O 2.88Å; D80-F84 VanDerWaalsContact N-O 3.16Å; D80-F84 WeakPolarHBondContact OD1-CB 3.42Å; D80-F84 PolarHBondContact OD1-N 2.68Å; D80-F84 WeakPolarHBondContact OD2-CB 3.47Å; E82-F84 HydrophobicContact CB-CD2 3.72Å; E82-F84 HydrophobicContact CB-CE2 4.14Å; E82-F84 PolarHBondContact O-N 3.11Å; F84-L88 HydrophobicContact CD1-CB 3.69Å; F84-L88 HydrophobicContact CE1-CB 4.32Å; F84-K92 HydrophobicContact CD1-CD 4.14Å; F84-K92 HydrophobicContact CE1-CD 3.57Å; F84-K92 HydrophobicContact CZ-CD 4.23Å; F84-D113 HydrophobicContact CD2-CB 4.32Å; F84-D113 HydrophobicContact CE1-CB 4.45Å; F84-D113 HydrophobicContact CE2-CB 4.1Å; F84-D113 HydrophobicContact CZ-CB 4.13Å; F84-D113 WeakPolarHBondContact CZ-OD2 3.38Å; F84-W122 HydrophobicContact CE1-CD2 4.48Å; F84-W122 AromaticContact CE1-CE2 3.77Å; F84-W122 HydrophobicContact CE1-CZ2 4.06Å; F84-W122 AromaticContact CE1-NE1 3.57Å; F84-W122 AromaticContact CZ-CE2 3.79Å; F84-W122 HydrophobicContact CZ-CH2 4.49Å; F84-W122 AromaticContact CZ-CZ2 3.61Å; F84-W122 HydrophobicContact CZ-CZ2 3.61Å; F84-W122 AromaticContact CZ-NE1 3.8Å | ||
| 85 | S | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -97.4 | 167.2 | 167 | 73.5 | 0 | 0 | 0 | 0 | 111 | L87 L88 N89 | S85-L87 PolarHBondContact O-N 3.19Å; S85-L88 WeakPolarHBondContact O-CB 3.43Å; S85-L88 PolarHBondContact O-N 3.22Å; S85-L88 VanDerWaalsContact O-N 3.13Å; S85-L88 PolarHBondContact OG-N 3Å; S85-N89 PolarHBondContact O-N 3.43Å |
| 86 | S | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.3 | -37.9 | 174.8 | -61 | 0 | 0 | 0 | 0 | 111.9 | A58 A90 L102 | A58-S86 WeakPolarHBondContact CB-O 3.39Å; S86-A90 WeakPolarHBondContact O-CB 3.14Å; S86-A90 PolarHBondContact O-N 2.93Å; S86-L102 WeakPolarHBondContact O-CD1 3.35Å |
| 87 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.3 | -35.5 | 178.9 | -174.3 | 61.5 | 0 | 0 | 0 | 112.5 | S85 A90 A91 C99 L102 I103 A107 S108 L109 P119 L135 | S85-L87 PolarHBondContact O-N 3.19Å; L87-A90 PolarHBondContact O-N 2.94Å; L87-A91 VanDerWaalsContact O-CB 3.29Å; L87-A91 WeakPolarHBondContact O-CB 3.39Å; L87-A91 PolarHBondContact O-N 3.01Å; L87-C99 HydrophobicContact CD1-CB 3.96Å; L87-L102 HydrophobicContact CB-CD1 4.37Å; L87-L102 HydrophobicContact CD1-CB 4.25Å; L87-L102 HydrophobicContact CD1-CD1 4.41Å; L87-I103 HydrophobicContact CD1-CD1 4.17Å; L87-I103 HydrophobicContact CD1-CG1 3.99Å; L87-I103 HydrophobicContact CD2-CD1 4.32Å; L87-I103 HydrophobicContact CD2-CG1 3.82Å; L87-A107 HydrophobicContact CB-CB 4.15Å; L87-A107 HydrophobicContact CD2-CB 4.15Å; L87-S108 WeakPolarHBondContact CD2-O 3.45Å; L87-L109 HydrophobicContact CD2-CD2 4.31Å; L87-P119 HydrophobicContact CB-CG 4.37Å; L87-P119 HydrophobicContact CD2-CB 4.4Å; L87-P119 HydrophobicContact CD2-CG 4Å; L87-P119 HydrophobicContact CG-CB 4.09Å; L87-P119 HydrophobicContact CG-CG 3.87Å; L87-L135 HydrophobicContact CD2-CD2 4.46Å |
| 88 | L | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 172.7 | -79.8 | 165.7 | 0 | 0 | 0 | 111.1 | F84 S85 A91 K92 D111 D113 W117 T118 P119 | F84-L88 HydrophobicContact CD1-CB 3.69Å; F84-L88 HydrophobicContact CE1-CB 4.32Å; S85-L88 WeakPolarHBondContact O-CB 3.43Å; S85-L88 PolarHBondContact O-N 3.22Å; S85-L88 VanDerWaalsContact O-N 3.13Å; S85-L88 PolarHBondContact OG-N 3Å; L88-A91 PolarHBondContact O-N 3.4Å; L88-K92 WeakPolarHBondContact O-CB 3.37Å; L88-K92 PolarHBondContact O-N 3.01Å; L88-D111 HydrophobicContact CD1-CB 4.36Å; L88-D111 WeakPolarHBondContact CD1-O 3.37Å; L88-D113 HydrophobicContact CD1-CB 4.22Å; L88-W117 WeakPolarHBondContact CD2-O 3.35Å; L88-T118 VanDerWaalsContact CD2-C 3.41Å; L88-P119 HydrophobicContact CD2-CG 3.94Å; L88-P119 VanDerWaalsContact CD2-N 3.35Å; L88-P119 HydrophobicContact CG-CG 4.04Å |
| 89 | N | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -49.8 | 175.1 | -90.2 | -43.3 | 0 | 0 | 0 | 111.8 | L55 R59 S85 A91 K92 Y93 | L55-N89 WeakPolarHBondContact CD2-ND2 3.31Å; R59-N89 HydrophobicContact CB-CB 4.14Å; S85-N89 PolarHBondContact O-N 3.43Å; N89-A91 VanDerWaalsContact C-N 3.27Å; N89-A91 PolarHBondContact O-N 3.22Å; N89-K92 WeakPolarHBondContact O-CB 3.29Å; N89-K92 PolarHBondContact O-N 3.42Å; N89-Y93 WeakPolarHBondContact O-CD2 3.41Å; N89-Y93 PolarHBondContact O-N 3.15Å; N89-Y93 VanDerWaalsContact O-N 3.11Å |
| 90 | A | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.3 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S86 L87 G94 Y95 V98 L102 | S86-A90 WeakPolarHBondContact O-CB 3.14Å; S86-A90 PolarHBondContact O-N 2.93Å; L87-A90 PolarHBondContact O-N 2.94Å; A90-G94 WeakPolarHBondContact O-CA 3.3Å; A90-G94 PolarHBondContact O-N 3.24Å; A90-Y95 PolarHBondContact O-N 3.3Å; A90-V98 HydrophobicContact CB-CB 4.22Å; A90-V98 HydrophobicContact CB-CG1 3.6Å; A90-L102 HydrophobicContact CB-CD1 3.93Å |
| 91 | A | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74 | -37.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L87 L88 N89 Y93 G94 P119 A123 V131 | L87-A91 VanDerWaalsContact O-CB 3.29Å; L87-A91 WeakPolarHBondContact O-CB 3.39Å; L87-A91 PolarHBondContact O-N 3.01Å; L88-A91 PolarHBondContact O-N 3.4Å; N89-A91 VanDerWaalsContact C-N 3.27Å; N89-A91 PolarHBondContact O-N 3.22Å; A91-Y93 VanDerWaalsContact C-N 3.34Å; A91-Y93 PolarHBondContact O-N 2.91Å; A91-G94 PolarHBondContact O-N 3.27Å; A91-P119 HydrophobicContact CB-CB 3.83Å; A91-P119 WeakPolarHBondContact CB-O 3.48Å; A91-A123 HydrophobicContact CB-CB 4.38Å; A91-V131 HydrophobicContact CB-CG1 4.01Å |
| 92 | K | 93.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 13% | 0.13 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 175 | 174.2 | 177.8 | 177.7 | -175.4 | 0 | 112.1 | F84 L88 N89 W122 K126 | F84-K92 HydrophobicContact CD1-CD 4.14Å; F84-K92 HydrophobicContact CE1-CD 3.57Å; F84-K92 HydrophobicContact CZ-CD 4.23Å; L88-K92 WeakPolarHBondContact O-CB 3.37Å; L88-K92 PolarHBondContact O-N 3.01Å; N89-K92 WeakPolarHBondContact O-CB 3.29Å; N89-K92 PolarHBondContact O-N 3.42Å; K92-W122 HydrophobicContact CB-CB 4.28Å; K92-W122 HydrophobicContact CB-CD2 4.29Å; K92-W122 HydrophobicContact CB-CE3 4.2Å; K92-W122 HydrophobicContact CB-CG 4.34Å; K92-W122 HydrophobicContact CD-CD2 4.34Å; K92-W122 HydrophobicContact CD-CE3 4.25Å; K92-W122 HydrophobicContact CD-CZ3 4.45Å; K92-W122 HydrophobicContact CG-CD2 4.21Å; K92-W122 HydrophobicContact CG-CE3 3.8Å; K92-W122 HydrophobicContact CG-CZ3 4.2Å; K92-K126 WeakPolarHBondContact O-CG 3.41Å |
| 93 | Y | 93.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 28.5 Ų | 28.5 | 37% | 0.369 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -91.6 | -23.4 | 174.9 | -62.9 | -76.4 | 0 | 0 | 0 | 113.5 | R59 N89 A91 Y95 K128 | R59-Y93 HydrophobicContact CG-CD2 4.49Å; R59-Y93 HydrophobicContact CG-CE2 3.81Å; N89-Y93 WeakPolarHBondContact O-CD2 3.41Å; N89-Y93 PolarHBondContact O-N 3.15Å; N89-Y93 VanDerWaalsContact O-N 3.11Å; A91-Y93 VanDerWaalsContact C-N 3.34Å; A91-Y93 PolarHBondContact O-N 2.91Å; Y93-Y95 HydrophobicContact CD2-CE2 4.47Å; Y93-Y95 HydrophobicContact CG-CE2 4.03Å; Y93-K128 WeakPolarHBondContact O-CE 3.49Å; Y93-K128 PolarHBondContact O-NZ 3.16Å |
| 94 | G | 93 | Very high | 94.1 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | 28.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A90 A91 V96 | A90-G94 WeakPolarHBondContact O-CA 3.3Å; A90-G94 PolarHBondContact O-N 3.24Å; A91-G94 PolarHBondContact O-N 3.27Å; G94-V96 PolarHBondContact O-N 3.45Å |
| 95 | Y | 95.1 | Very high | 94.1 | Very high | 84 Ų | 84 | 32.7 Ų | 32.7 | 33% | 0.329 | 16% | 0.163 | S | C | . | . | trans | -83.3 | 92.8 | -174.5 | -59 | -50.6 | 0 | 0 | 0 | 111.3 | I60 A90 Y93 E97 V98 C99 | I60-Y95 VanDerWaalsContact O-CE2 3.24Å; I60-Y95 WeakPolarHBondContact O-CE2 3.3Å; I60-Y95 PolarHBondContact O-OH 2.9Å; A90-Y95 PolarHBondContact O-N 3.3Å; Y93-Y95 HydrophobicContact CD2-CE2 4.47Å; Y93-Y95 HydrophobicContact CG-CE2 4.03Å; Y95-E97 PolarHBondContact O-N 2.92Å; Y95-V98 PolarHBondContact O-N 3.16Å; Y95-C99 PolarHBondContact O-N 3.05Å; Y95-C99 PolarHBondContact O-SG 3.22Å; Y95-C99 VanDerWaalsContact O-SG 3.42Å | ||
| 96 | V | 95.3 | Very high | 94 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 29% | 0.285 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57 | -52.6 | -171.6 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | G94 V98 C99 E100 S130 V131 L134 | G94-V96 PolarHBondContact O-N 3.45Å; V96-V98 VanDerWaalsContact C-N 3.27Å; V96-V98 PolarHBondContact O-N 3.16Å; V96-C99 WeakPolarHBondContact O-CB 3.23Å; V96-C99 PolarHBondContact O-N 3.13Å; V96-C99 VanDerWaalsContact O-N 3.15Å; V96-E100 PolarHBondContact O-N 2.9Å; V96-S130 VanDerWaalsContact CG2-OG 3.3Å; V96-S130 WeakPolarHBondContact CG2-OG 3.43Å; V96-V131 HydrophobicContact CG2-CG2 3.98Å; V96-L134 HydrophobicContact CG1-CD1 3.64Å |
| 97 | E | 95 | Very high | 94 | Very high | 97 Ų | 97 | 35.2 Ų | 35.2 | 45% | 0.453 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.7 | -36.6 | 178.7 | -174.6 | -174.9 | 172 | 0 | 0 | 111.7 | A63 R67 Y95 E100 L101 | A63-E97 HydrophobicContact CB-CG 4.05Å; R67-E97 IonicContact NH2-OE1 2.71Å; R67-E97 PolarHBondContact NH2-OE1 3.08Å; Y95-E97 PolarHBondContact O-N 2.92Å; E97-E100 WeakPolarHBondContact O-CB 3.47Å; E97-E100 PolarHBondContact O-N 3.29Å; E97-L101 HydrophobicContact CG-CD1 4.12Å; E97-L101 VanDerWaalsContact O-CG 3.29Å; E97-L101 WeakPolarHBondContact O-CG 3.5Å; E97-L101 PolarHBondContact O-N 2.84Å |
| 98 | V | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | A58 G61 A63 V66 A90 Y95 V96 E100 L101 L102 | A58-V98 HydrophobicContact CB-CG1 4.08Å; G61-V98 WeakPolarHBondContact O-CG2 3.48Å; A63-V98 HydrophobicContact CB-CG2 4.08Å; V66-V98 HydrophobicContact CG1-CG1 4.28Å; V66-V98 HydrophobicContact CG2-CG1 3.99Å; A90-V98 HydrophobicContact CB-CB 4.22Å; A90-V98 HydrophobicContact CB-CG1 3.6Å; Y95-V98 PolarHBondContact O-N 3.16Å; V96-V98 VanDerWaalsContact C-N 3.27Å; V96-V98 PolarHBondContact O-N 3.16Å; V98-E100 VanDerWaalsContact C-N 3.34Å; V98-L101 PolarHBondContact O-N 3.45Å; V98-L102 HydrophobicContact CG1-CD1 3.81Å; V98-L102 HydrophobicContact CG1-CG 4.41Å; V98-L102 WeakPolarHBondContact O-CB 3.34Å; V98-L102 WeakPolarHBondContact O-CD1 3.29Å; V98-L102 VanDerWaalsContact O-CG 3.24Å; V98-L102 WeakPolarHBondContact O-CG 3.14Å; V98-L102 PolarHBondContact O-N 2.94Å |
| 99 | C | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 171.8 | -67.1 | 0 | 0 | 0 | 0 | 111.9 | L87 Y95 V96 I103 L134 | L87-C99 HydrophobicContact CD1-CB 3.96Å; Y95-C99 PolarHBondContact O-N 3.05Å; Y95-C99 PolarHBondContact O-SG 3.22Å; Y95-C99 VanDerWaalsContact O-SG 3.42Å; V96-C99 WeakPolarHBondContact O-CB 3.23Å; V96-C99 PolarHBondContact O-N 3.13Å; V96-C99 VanDerWaalsContact O-N 3.15Å; C99-I103 WeakPolarHBondContact O-CB 3.14Å; C99-I103 VanDerWaalsContact O-CD1 3.29Å; C99-I103 WeakPolarHBondContact O-CD1 3.47Å; C99-I103 WeakPolarHBondContact O-CG1 3.42Å; C99-I103 PolarHBondContact O-N 3.25Å; C99-L134 HydrophobicContact CB-CD2 4.43Å |
| 100 | E | 95.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.1 | -53.1 | 175.8 | -73.5 | 174.4 | 153.2 | 0 | 0 | 111.6 | V96 E97 V98 L102 I103 E104 L134 | V96-E100 PolarHBondContact O-N 2.9Å; E97-E100 WeakPolarHBondContact O-CB 3.47Å; E97-E100 PolarHBondContact O-N 3.29Å; V98-E100 VanDerWaalsContact C-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.44Å; E100-I103 PolarHBondContact O-N 2.79Å; E100-E104 WeakPolarHBondContact O-CB 3.22Å; E100-E104 WeakPolarHBondContact O-CG 3.45Å; E100-E104 PolarHBondContact O-N 2.87Å; E100-L134 HydrophobicContact CG-CD1 3.37Å; E100-L134 HydrophobicContact CG-CD2 4.43Å; E100-L134 HydrophobicContact CG-CG 4.43Å; E100-L134 WeakPolarHBondContact OE1-CD1 3.36Å |
| 101 | L | 94.4 | Very high | 93.6 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | -179.7 | -68.8 | 168.1 | 0 | 0 | 0 | 112.7 | A63 R67 L70 E97 V98 A105 | A63-L101 HydrophobicContact CB-CD1 3.98Å; R67-L101 HydrophobicContact CB-CD1 4.46Å; L70-L101 HydrophobicContact CD1-CB 4.47Å; E97-L101 HydrophobicContact CG-CD1 4.12Å; E97-L101 VanDerWaalsContact O-CG 3.29Å; E97-L101 WeakPolarHBondContact O-CG 3.5Å; E97-L101 PolarHBondContact O-N 2.84Å; V98-L101 PolarHBondContact O-N 3.45Å; L101-A105 WeakPolarHBondContact O-CB 3.26Å; L101-A105 PolarHBondContact O-N 3.48Å |
| 102 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -45.6 | 177.7 | -73.1 | 169.1 | 0 | 0 | 0 | 111.8 | L54 A58 V66 L70 P76 S86 L87 A90 V98 E100 E104 A105 G106 A107 | L54-L102 HydrophobicContact CD1-CD2 4.38Å; A58-L102 HydrophobicContact CB-CD1 4.19Å; V66-L102 HydrophobicContact CG1-CD2 4.14Å; V66-L102 HydrophobicContact CG1-CG 4.19Å; L70-L102 HydrophobicContact CD1-CD2 4.26Å; L70-L102 HydrophobicContact CD2-CD2 4.3Å; P76-L102 HydrophobicContact CB-CD2 4.36Å; S86-L102 WeakPolarHBondContact O-CD1 3.35Å; L87-L102 HydrophobicContact CB-CD1 4.37Å; L87-L102 HydrophobicContact CD1-CB 4.25Å; L87-L102 HydrophobicContact CD1-CD1 4.41Å; A90-L102 HydrophobicContact CB-CD1 3.93Å; V98-L102 HydrophobicContact CG1-CD1 3.81Å; V98-L102 HydrophobicContact CG1-CG 4.41Å; V98-L102 WeakPolarHBondContact O-CB 3.34Å; V98-L102 WeakPolarHBondContact O-CD1 3.29Å; V98-L102 VanDerWaalsContact O-CG 3.24Å; V98-L102 WeakPolarHBondContact O-CG 3.14Å; V98-L102 PolarHBondContact O-N 2.94Å; E100-L102 VanDerWaalsContact C-N 3.35Å; E100-L102 PolarHBondContact O-N 3.44Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.31Å; L102-A105 PolarHBondContact O-N 2.82Å; L102-G106 PolarHBondContact O-N 3.33Å; L102-A107 HydrophobicContact CB-CB 3.93Å; L102-A107 WeakPolarHBondContact O-CB 3.4Å; L102-A107 PolarHBondContact O-N 2.94Å |
| 103 | I | 93.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 45 Ų | 45 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 179.3 | -66.9 | 164.5 | 0 | 0 | 0 | 110.8 | L87 C99 E100 A105 G106 L109 L134 L135 K138 | L87-I103 HydrophobicContact CD1-CD1 4.17Å; L87-I103 HydrophobicContact CD1-CG1 3.99Å; L87-I103 HydrophobicContact CD2-CD1 4.32Å; L87-I103 HydrophobicContact CD2-CG1 3.82Å; C99-I103 WeakPolarHBondContact O-CB 3.14Å; C99-I103 VanDerWaalsContact O-CD1 3.29Å; C99-I103 WeakPolarHBondContact O-CD1 3.47Å; C99-I103 WeakPolarHBondContact O-CG1 3.42Å; C99-I103 PolarHBondContact O-N 3.25Å; E100-I103 PolarHBondContact O-N 2.79Å; I103-A105 VanDerWaalsContact C-N 3.35Å; I103-G106 PolarHBondContact O-N 2.95Å; I103-G106 VanDerWaalsContact O-N 3.16Å; I103-L109 HydrophobicContact CD1-CD2 3.68Å; I103-L109 HydrophobicContact CG1-CD2 3.77Å; I103-L109 HydrophobicContact CG2-CD2 4.2Å; I103-L134 HydrophobicContact CD1-CD2 3.65Å; I103-L135 HydrophobicContact CD1-CD2 3.86Å; I103-K138 HydrophobicContact CD1-CG 4.36Å; I103-K138 HydrophobicContact CG2-CB 4.22Å; I103-K138 HydrophobicContact CG2-CD 3.84Å; I103-K138 HydrophobicContact CG2-CG 4.06Å |
| 104 | E | 93.1 | Very high | 93 | Very high | 132 Ų | 132 | 45.2 Ų | 45.2 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -74 | -24.8 | 177.3 | -73.3 | 171.4 | -167.3 | 0 | 0 | 113.2 | E100 L102 G106 K138 | E100-E104 WeakPolarHBondContact O-CB 3.22Å; E100-E104 WeakPolarHBondContact O-CG 3.45Å; E100-E104 PolarHBondContact O-N 2.87Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.31Å; E104-G106 VanDerWaalsContact C-N 3.29Å; E104-K138 IonicContact OE1-NZ 3.27Å; E104-K138 PolarHBondContact OE1-NZ 3.33Å |
| 105 | A | 92 | Very high | 92.7 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L70 L101 L102 I103 | L70-A105 HydrophobicContact CD1-CB 3.91Å; L70-A105 HydrophobicContact CD2-CB 3.8Å; L70-A105 HydrophobicContact CG-CB 4.31Å; L101-A105 WeakPolarHBondContact O-CB 3.26Å; L101-A105 PolarHBondContact O-N 3.48Å; L102-A105 PolarHBondContact O-N 2.82Å; I103-A105 VanDerWaalsContact C-N 3.35Å |
| 106 | G | 90.2 | Very high | 92.4 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 47% | 0.474 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 26.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | N77 L102 I103 E104 | N77-G106 PolarHBondContact ND2-O 3.42Å; L102-G106 PolarHBondContact O-N 3.33Å; I103-G106 PolarHBondContact O-N 2.95Å; I103-G106 VanDerWaalsContact O-N 3.16Å; E104-G106 VanDerWaalsContact C-N 3.29Å |
| 107 | A | 92.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | trans | -60.3 | 135.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111 | P76 N77 L87 L102 | P76-A107 HydrophobicContact CB-CB 3.96Å; N77-A107 WeakPolarHBondContact OD1-CA 3.42Å; L87-A107 HydrophobicContact CB-CB 4.15Å; L87-A107 HydrophobicContact CD2-CB 4.15Å; L102-A107 HydrophobicContact CB-CB 3.93Å; L102-A107 WeakPolarHBondContact O-CB 3.4Å; L102-A107 PolarHBondContact O-N 2.94Å | ||
| 108 | S | 93 | Very high | 92.1 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | trans | -74.1 | 132.3 | -179.8 | 110.1 | 0 | 0 | 0 | 0 | 111.4 | N77 L87 E110 D111 | N77-S108 PolarHBondContact OD1-N 3.41Å; L87-S108 WeakPolarHBondContact CD2-O 3.45Å; S108-E110 PolarHBondContact O-N 2.97Å; S108-D111 WeakPolarHBondContact CB-OD2 3.49Å; S108-D111 PolarHBondContact OG-N 2.91Å; S108-D111 PolarHBondContact OG-OD2 3.01Å | ||
| 109 | L | 93 | Very high | 92.1 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15.3 | -178.7 | -65.6 | 173.7 | 0 | 0 | 0 | 113.5 | L87 I103 P119 L135 K138 A140 | L87-L109 HydrophobicContact CD2-CD2 4.31Å; I103-L109 HydrophobicContact CD1-CD2 3.68Å; I103-L109 HydrophobicContact CG1-CD2 3.77Å; I103-L109 HydrophobicContact CG2-CD2 4.2Å; L109-P119 WeakPolarHBondContact O-CD 3.25Å; L109-L135 HydrophobicContact CD2-CD2 3.82Å; L109-K138 HydrophobicContact CD1-CB 4.38Å; L109-K138 WeakPolarHBondContact CD1-O 3.36Å; L109-K138 HydrophobicContact CD2-CB 4.42Å; L109-A140 HydrophobicContact CB-CB 4.14Å; L109-A140 HydrophobicContact CD1-CB 4.37Å |
| 110 | E | 91.5 | Very high | 92 | Very high | 43 Ų | 43 | 36.7 Ų | 36.7 | 20% | 0.201 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 16.9 | -167.4 | -42.3 | -59.5 | 168.8 | 0 | 0 | 112.1 | S108 E112 A140 R141 L144 | S108-E110 PolarHBondContact O-N 2.97Å; E110-E112 PolarHBondContact O-N 3.09Å; E110-A140 WeakPolarHBondContact OE1-CA 3.3Å; E110-R141 VanDerWaalsContact OE1-CG 3.3Å; E110-R141 WeakPolarHBondContact OE1-CG 3.26Å; E110-R141 PolarHBondContact OE1-N 3.48Å; E110-R141 WeakPolarHBondContact OE2-CB 3.44Å; E110-R141 PolarHBondContact OE2-N 2.87Å; E110-L144 HydrophobicContact CB-CD1 4.28Å; E110-L144 WeakPolarHBondContact OE2-CD1 3.49Å |
| 111 | D | 91 | Very high | 92 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | trans | -65.1 | 122.6 | 176.5 | -96.2 | -55.7 | 0 | 0 | 0 | 111.3 | K79 L88 S108 T118 P119 | K79-D111 WeakPolarHBondContact CE-OD1 3.37Å; K79-D111 IonicContact NZ-OD1 2.68Å; K79-D111 PolarHBondContact NZ-OD1 3.01Å; L88-D111 HydrophobicContact CD1-CB 4.36Å; L88-D111 WeakPolarHBondContact CD1-O 3.37Å; S108-D111 WeakPolarHBondContact CB-OD2 3.49Å; S108-D111 PolarHBondContact OG-N 2.91Å; S108-D111 PolarHBondContact OG-OD2 3.01Å; D111-T118 WeakPolarHBondContact O-CA 3.4Å; D111-P119 WeakPolarHBondContact O-CD 3.43Å | ||
| 112 | E | 90.2 | Very high | 91.9 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | trans | -94.7 | 141.1 | 177.2 | -69.8 | 169.4 | -164 | 0 | 0 | 111 | K79 E110 W117 T118 | K79-E112 PolarHBondContact NZ-O 3.46Å; E110-E112 PolarHBondContact O-N 3.09Å; E112-W117 WeakPolarHBondContact CA-O 3.49Å; E112-T118 HydrophobicContact CG-CG2 3.83Å | ||
| 113 | D | 90.5 | Very high | 92 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | trans | -80.1 | -179.3 | 165.2 | 68.8 | 15 | 0 | 0 | 0 | 111.9 | F84 L88 A115 G116 W117 W122 | F84-D113 HydrophobicContact CD2-CB 4.32Å; F84-D113 HydrophobicContact CE1-CB 4.45Å; F84-D113 HydrophobicContact CE2-CB 4.1Å; F84-D113 HydrophobicContact CZ-CB 4.13Å; F84-D113 WeakPolarHBondContact CZ-OD2 3.38Å; L88-D113 HydrophobicContact CD1-CB 4.22Å; D113-A115 PolarHBondContact O-N 3.14Å; D113-A115 WeakPolarHBondContact OD1-CA 3.5Å; D113-A115 PolarHBondContact OD1-N 2.87Å; D113-G116 PolarHBondContact O-N 3.22Å; D113-G116 PolarHBondContact OD1-N 3.08Å; D113-W117 PolarHBondContact N-O 2.87Å; D113-W117 WeakPolarHBondContact OD1-CB 3.48Å; D113-W117 PolarHBondContact OD1-N 3.44Å; D113-W117 WeakPolarHBondContact OD2-CB 3.37Å; D113-W122 PolarHBondContact OD2-NE1 2.91Å | ||
| 114 | V | 89.3 | Confident | 92.1 | Very high | 100 Ų | 100 | 32 Ų | 32 | 61% | 0.606 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -21.8 | 179.9 | 162.4 | 0 | 0 | 0 | 0 | 113.9 | E82 M83 | E82-V114 WeakPolarHBondContact O-CG2 3.43Å; E82-V114 PolarHBondContact O-N 3.36Å; M83-V114 HydrophobicContact CB-CG2 4.02Å; M83-V114 HydrophobicContact CG-CG2 3.85Å |
| 115 | A | 86.1 | Confident | 92.1 | Very high | 35 Ų | 35 | 29.3 Ų | 29.3 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 9.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D113 W117 E147 | D113-A115 PolarHBondContact O-N 3.14Å; D113-A115 WeakPolarHBondContact OD1-CA 3.5Å; D113-A115 PolarHBondContact OD1-N 2.87Å; A115-W117 VanDerWaalsContact CB-CD1 3.5Å; A115-W117 VanDerWaalsContact O-CD1 3.28Å; A115-E147 PolarHBondContact O-N 3.32Å; A115-E147 VanDerWaalsContact O-N 3.13Å |
| 116 | G | 88.2 | Confident | 92.3 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | trans | 81.4 | 21.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D113 | D113-G116 PolarHBondContact O-N 3.22Å; D113-G116 PolarHBondContact OD1-N 3.08Å | ||
| 117 | W | 92.2 | Very high | 92.5 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 8% | 0.076 | 17% | 0.169 | C | C | . | . | trans | -94.4 | 125.2 | -175.9 | -63.4 | 61.6 | 0 | 0 | 0 | 111.8 | L88 E112 D113 A115 C121 W122 Y125 W155 | L88-W117 WeakPolarHBondContact CD2-O 3.35Å; E112-W117 WeakPolarHBondContact CA-O 3.49Å; D113-W117 PolarHBondContact N-O 2.87Å; D113-W117 WeakPolarHBondContact OD1-CB 3.48Å; D113-W117 PolarHBondContact OD1-N 3.44Å; D113-W117 WeakPolarHBondContact OD2-CB 3.37Å; A115-W117 VanDerWaalsContact CB-CD1 3.5Å; A115-W117 VanDerWaalsContact O-CD1 3.28Å; W117-C121 HydrophobicContact CB-CB 4.19Å; W117-C121 HydrophobicContact CD2-CB 4.26Å; W117-C121 HydrophobicContact CE3-CB 3.61Å; W117-C121 HydrophobicContact CZ3-CB 4.28Å; W117-W122 VanDerWaalsContact CB-NE1 3.35Å; W117-W122 AromaticContact CG-NE1 3.95Å; W117-Y125 AromaticContact CH2-CD2 3.29Å; W117-Y125 HydrophobicContact CH2-CD2 3.29Å; W117-Y125 AromaticContact CH2-CE2 3.54Å; W117-Y125 HydrophobicContact CH2-CE2 3.54Å; W117-Y125 HydrophobicContact CH2-CG 4.31Å; W117-Y125 HydrophobicContact CZ2-CD2 4.5Å; W117-Y125 HydrophobicContact CZ2-CE2 4.43Å; W117-Y125 AromaticContact CZ3-CD2 3.31Å; W117-Y125 HydrophobicContact CZ3-CD2 3.31Å; W117-Y125 AromaticContact CZ3-CE2 3.98Å; W117-Y125 HydrophobicContact CZ3-CE2 3.98Å; W117-Y125 AromaticContact CZ3-CG 3.92Å; W117-Y125 HydrophobicContact CZ3-CG 3.92Å; W117-W155 AromaticContact CH2-CD2 3.8Å; W117-W155 HydrophobicContact CH2-CD2 3.8Å; W117-W155 AromaticContact CH2-CE2 3.21Å; W117-W155 HydrophobicContact CH2-CE3 4.4Å; W117-W155 HydrophobicContact CH2-CG 4.31Å; W117-W155 AromaticContact CH2-CH2 3.99Å; W117-W155 HydrophobicContact CH2-CH2 3.99Å; W117-W155 AromaticContact CH2-CZ2 3.34Å; W117-W155 HydrophobicContact CH2-CZ2 3.34Å; W117-W155 HydrophobicContact CH2-CZ3 4.48Å; W117-W155 AromaticContact CH2-NE1 3.39Å; W117-W155 AromaticContact CZ2-CE2 3.71Å; W117-W155 HydrophobicContact CZ2-CH2 4.24Å; W117-W155 AromaticContact CZ2-CZ2 3.46Å; W117-W155 HydrophobicContact CZ2-CZ2 3.46Å; W117-W155 VanDerWaalsContact CZ2-CZ2 3.46Å; W117-W155 AromaticContact CZ2-NE1 3.83Å; W117-W155 HydrophobicContact CZ3-CD2 4.38Å; W117-W155 HydrophobicContact CZ3-CG 4.45Å; W117-W155 AromaticContact CZ3-NE1 3.87Å | ||
| 118 | T | 92.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | trans | -83.2 | 166.6 | 170.6 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | L88 D111 E112 L120 C121 W122 L144 | L88-T118 VanDerWaalsContact CD2-C 3.41Å; D111-T118 WeakPolarHBondContact O-CA 3.4Å; E112-T118 HydrophobicContact CG-CG2 3.83Å; T118-L120 PolarHBondContact O-N 2.76Å; T118-L120 VanDerWaalsContact O-N 3.12Å; T118-C121 WeakPolarHBondContact O-CB 3.49Å; T118-C121 PolarHBondContact O-N 3.43Å; T118-C121 PolarHBondContact OG1-N 3.02Å; T118-W122 PolarHBondContact O-N 3.4Å; T118-W122 VanDerWaalsContact O-N 3.08Å; T118-L144 HydrophobicContact CG2-CD1 3.72Å | ||
| 119 | P | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53 | -33 | 173 | -28.1 | 35.6 | 0 | 0 | 0 | 113 | L87 L88 A91 L109 D111 A123 L135 | L87-P119 HydrophobicContact CB-CG 4.37Å; L87-P119 HydrophobicContact CD2-CB 4.4Å; L87-P119 HydrophobicContact CD2-CG 4Å; L87-P119 HydrophobicContact CG-CB 4.09Å; L87-P119 HydrophobicContact CG-CG 3.87Å; L88-P119 HydrophobicContact CD2-CG 3.94Å; L88-P119 VanDerWaalsContact CD2-N 3.35Å; L88-P119 HydrophobicContact CG-CG 4.04Å; A91-P119 HydrophobicContact CB-CB 3.83Å; A91-P119 WeakPolarHBondContact CB-O 3.48Å; L109-P119 WeakPolarHBondContact O-CD 3.25Å; D111-P119 WeakPolarHBondContact O-CD 3.43Å; P119-A123 VanDerWaalsContact O-CB 3.26Å; P119-A123 WeakPolarHBondContact O-CB 3.27Å; P119-A123 PolarHBondContact O-N 2.76Å; P119-L135 HydrophobicContact CB-CD1 3.94Å; P119-L135 HydrophobicContact CB-CD2 4.3Å |
| 120 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.7 | -43.1 | 176.5 | -175 | 62.1 | 0 | 0 | 0 | 111.8 | T118 A123 V124 V132 L135 I136 P152 | T118-L120 PolarHBondContact O-N 2.76Å; T118-L120 VanDerWaalsContact O-N 3.12Å; L120-A123 PolarHBondContact O-N 2.87Å; L120-V124 HydrophobicContact CD1-CG2 4.33Å; L120-V124 WeakPolarHBondContact O-CB 3.3Å; L120-V124 VanDerWaalsContact O-CG2 3.27Å; L120-V124 WeakPolarHBondContact O-CG2 3.41Å; L120-V124 PolarHBondContact O-N 2.75Å; L120-V132 HydrophobicContact CD1-CG1 4.08Å; L120-L135 HydrophobicContact CB-CD1 4.24Å; L120-L135 HydrophobicContact CD1-CB 4.19Å; L120-L135 HydrophobicContact CD1-CD1 4.37Å; L120-I136 HydrophobicContact CD1-CG1 4.32Å; L120-P152 HydrophobicContact CD2-CG 4.17Å; L120-P152 HydrophobicContact CG-CB 4.43Å; L120-P152 HydrophobicContact CG-CG 4.26Å |
| 121 | C | 93.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.5 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | W117 T118 V124 Y125 | W117-C121 HydrophobicContact CB-CB 4.19Å; W117-C121 HydrophobicContact CD2-CB 4.26Å; W117-C121 HydrophobicContact CE3-CB 3.61Å; W117-C121 HydrophobicContact CZ3-CB 4.28Å; T118-C121 WeakPolarHBondContact O-CB 3.49Å; T118-C121 PolarHBondContact O-N 3.43Å; T118-C121 PolarHBondContact OG1-N 3.02Å; C121-V124 PolarHBondContact O-N 3.42Å; C121-Y125 VanDerWaalsContact O-CB 3.29Å; C121-Y125 WeakPolarHBondContact O-CB 3.4Å; C121-Y125 PolarHBondContact O-N 2.99Å |
| 122 | W | 94 | Very high | 93.4 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.7 | -84.1 | 105.2 | 0 | 0 | 0 | 113.1 | F84 K92 D113 W117 T118 V124 Y125 K126 | F84-W122 HydrophobicContact CE1-CD2 4.48Å; F84-W122 AromaticContact CE1-CE2 3.77Å; F84-W122 HydrophobicContact CE1-CZ2 4.06Å; F84-W122 AromaticContact CE1-NE1 3.57Å; F84-W122 AromaticContact CZ-CE2 3.79Å; F84-W122 HydrophobicContact CZ-CH2 4.49Å; F84-W122 AromaticContact CZ-CZ2 3.61Å; F84-W122 HydrophobicContact CZ-CZ2 3.61Å; F84-W122 AromaticContact CZ-NE1 3.8Å; K92-W122 HydrophobicContact CB-CB 4.28Å; K92-W122 HydrophobicContact CB-CD2 4.29Å; K92-W122 HydrophobicContact CB-CE3 4.2Å; K92-W122 HydrophobicContact CB-CG 4.34Å; K92-W122 HydrophobicContact CD-CD2 4.34Å; K92-W122 HydrophobicContact CD-CE3 4.25Å; K92-W122 HydrophobicContact CD-CZ3 4.45Å; K92-W122 HydrophobicContact CG-CD2 4.21Å; K92-W122 HydrophobicContact CG-CE3 3.8Å; K92-W122 HydrophobicContact CG-CZ3 4.2Å; D113-W122 PolarHBondContact OD2-NE1 2.91Å; W117-W122 VanDerWaalsContact CB-NE1 3.35Å; W117-W122 AromaticContact CG-NE1 3.95Å; T118-W122 PolarHBondContact O-N 3.4Å; T118-W122 VanDerWaalsContact O-N 3.08Å; W122-V124 VanDerWaalsContact C-N 3.33Å; W122-V124 PolarHBondContact O-N 3.27Å; W122-Y125 PolarHBondContact O-N 3.19Å; W122-K126 HydrophobicContact CE3-CG 4.24Å; W122-K126 VanDerWaalsContact CZ3-CE 3.48Å; W122-K126 WeakPolarHBondContact O-CB 3.47Å; W122-K126 VanDerWaalsContact O-CG 3.26Å; W122-K126 WeakPolarHBondContact O-CG 3.4Å; W122-K126 PolarHBondContact O-N 3.25Å |
| 123 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A91 P119 L120 N127 K128 V131 V132 L135 | A91-A123 HydrophobicContact CB-CB 4.38Å; P119-A123 VanDerWaalsContact O-CB 3.26Å; P119-A123 WeakPolarHBondContact O-CB 3.27Å; P119-A123 PolarHBondContact O-N 2.76Å; L120-A123 PolarHBondContact O-N 2.87Å; A123-N127 PolarHBondContact O-N 3.12Å; A123-N127 VanDerWaalsContact O-N 3.15Å; A123-K128 HydrophobicContact CB-CB 4.3Å; A123-K128 PolarHBondContact O-N 3.3Å; A123-V131 HydrophobicContact CB-CB 4.2Å; A123-V131 HydrophobicContact CB-CG1 3.89Å; A123-V132 HydrophobicContact CB-CG2 3.69Å; A123-L135 HydrophobicContact CB-CD1 4.21Å |
| 124 | V | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -47.3 | 176.1 | 167.2 | 0 | 0 | 0 | 0 | 111.8 | L120 C121 W122 K126 N127 V132 P152 W155 A156 Y161 V164 L168 | L120-V124 HydrophobicContact CD1-CG2 4.33Å; L120-V124 WeakPolarHBondContact O-CB 3.3Å; L120-V124 VanDerWaalsContact O-CG2 3.27Å; L120-V124 WeakPolarHBondContact O-CG2 3.41Å; L120-V124 PolarHBondContact O-N 2.75Å; C121-V124 PolarHBondContact O-N 3.42Å; W122-V124 VanDerWaalsContact C-N 3.33Å; W122-V124 PolarHBondContact O-N 3.27Å; V124-K126 VanDerWaalsContact C-N 3.26Å; V124-K126 PolarHBondContact O-N 3.08Å; V124-N127 PolarHBondContact O-N 3.01Å; V124-N127 VanDerWaalsContact O-N 3.15Å; V124-V132 HydrophobicContact CB-CG2 4.46Å; V124-V132 HydrophobicContact CG2-CG1 4.13Å; V124-V132 HydrophobicContact CG2-CG2 3.67Å; V124-P152 WeakPolarHBondContact CG1-O 3.36Å; V124-P152 HydrophobicContact CG2-CB 4.26Å; V124-W155 HydrophobicContact CG1-CB 4.15Å; V124-A156 HydrophobicContact CG1-CB 3.78Å; V124-Y161 WeakPolarHBondContact O-CE2 3.34Å; V124-V164 HydrophobicContact CB-CG1 4.32Å; V124-V164 HydrophobicContact CG1-CG1 3.94Å; V124-V164 HydrophobicContact CG2-CG1 3.8Å; V124-L168 HydrophobicContact CG2-CD1 4.14Å; V124-L168 HydrophobicContact CG2-CD2 4.45Å |
| 125 | Y | 94.1 | Very high | 94.2 | Very high | 74 Ų | 74 | 30.2 Ų | 30.2 | 29% | 0.29 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.9 | -36.2 | 179.1 | -174.8 | -77.2 | 0 | 0 | 0 | 112.8 | W117 C121 W122 W155 R159 | W117-Y125 AromaticContact CH2-CD2 3.29Å; W117-Y125 HydrophobicContact CH2-CD2 3.29Å; W117-Y125 AromaticContact CH2-CE2 3.54Å; W117-Y125 HydrophobicContact CH2-CE2 3.54Å; W117-Y125 HydrophobicContact CH2-CG 4.31Å; W117-Y125 HydrophobicContact CZ2-CD2 4.5Å; W117-Y125 HydrophobicContact CZ2-CE2 4.43Å; W117-Y125 AromaticContact CZ3-CD2 3.31Å; W117-Y125 HydrophobicContact CZ3-CD2 3.31Å; W117-Y125 AromaticContact CZ3-CE2 3.98Å; W117-Y125 HydrophobicContact CZ3-CE2 3.98Å; W117-Y125 AromaticContact CZ3-CG 3.92Å; W117-Y125 HydrophobicContact CZ3-CG 3.92Å; C121-Y125 VanDerWaalsContact O-CB 3.29Å; C121-Y125 WeakPolarHBondContact O-CB 3.4Å; C121-Y125 PolarHBondContact O-N 2.99Å; W122-Y125 PolarHBondContact O-N 3.19Å; Y125-W155 HydrophobicContact CD2-CD2 4.43Å; Y125-W155 HydrophobicContact CD2-CE3 4.23Å; Y125-W155 HydrophobicContact CD2-CZ3 4.46Å; Y125-W155 HydrophobicContact CE2-CZ3 4.3Å; Y125-R159 WeakPolarHBondContact O-CD 3.32Å; Y125-R159 PolarHBondContact O-NE 2.97Å; Y125-R159 PolarHBondContact OH-NH2 3.33Å |
| 126 | K | 95.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 30.3 Ų | 30.3 | 39% | 0.387 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8.5 | -178.8 | -59.9 | -80 | -178.4 | 169.5 | 0 | 113 | K92 W122 V124 K128 | K92-K126 WeakPolarHBondContact O-CG 3.41Å; W122-K126 HydrophobicContact CE3-CG 4.24Å; W122-K126 VanDerWaalsContact CZ3-CE 3.48Å; W122-K126 WeakPolarHBondContact O-CB 3.47Å; W122-K126 VanDerWaalsContact O-CG 3.26Å; W122-K126 WeakPolarHBondContact O-CG 3.4Å; W122-K126 PolarHBondContact O-N 3.25Å; V124-K126 VanDerWaalsContact C-N 3.26Å; V124-K126 PolarHBondContact O-N 3.08Å; K126-K128 VanDerWaalsContact C-N 3.3Å; K126-K128 HydrophobicContact CB-CD 4.39Å; K126-K128 HydrophobicContact CB-CG 3.88Å; K126-K128 WeakPolarHBondContact O-CD 3.5Å; K126-K128 WeakPolarHBondContact O-CE 3.42Å; K126-K128 PolarHBondContact O-N 2.61Å |
| 127 | N | 95.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 34 Ų | 34 | 35% | 0.353 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.7 | -179.1 | -156.4 | 35.2 | 0 | 0 | 0 | 115.2 | A123 V124 V129 Y161 V164 | A123-N127 PolarHBondContact O-N 3.12Å; A123-N127 VanDerWaalsContact O-N 3.15Å; V124-N127 PolarHBondContact O-N 3.01Å; V124-N127 VanDerWaalsContact O-N 3.15Å; N127-V129 PolarHBondContact O-N 3.15Å; N127-Y161 HydrophobicContact CB-CD2 3.97Å; N127-Y161 HydrophobicContact CB-CE1 4.13Å; N127-Y161 HydrophobicContact CB-CE2 3.48Å; N127-Y161 VanDerWaalsContact CB-CE2 3.48Å; N127-Y161 HydrophobicContact CB-CG 4.49Å; N127-Y161 VanDerWaalsContact OD1-CD2 3.31Å; N127-Y161 WeakPolarHBondContact OD1-CD2 3.36Å; N127-Y161 VanDerWaalsContact OD1-CG 3.3Å; N127-V164 WeakPolarHBondContact OD1-CG2 2.88Å |
| 128 | K | 95.6 | Very high | 95 | Very high | 68 Ų | 68 | 37 Ų | 37 | 30% | 0.296 | 19% | 0.187 | S | C | . | . | trans | -83.7 | 66.2 | -177.5 | -54 | -56.4 | -176.8 | 153.1 | 0 | 110.3 | Y93 A123 K126 S130 V131 V132 | Y93-K128 WeakPolarHBondContact O-CE 3.49Å; Y93-K128 PolarHBondContact O-NZ 3.16Å; A123-K128 HydrophobicContact CB-CB 4.3Å; A123-K128 PolarHBondContact O-N 3.3Å; K126-K128 VanDerWaalsContact C-N 3.3Å; K126-K128 HydrophobicContact CB-CD 4.39Å; K126-K128 HydrophobicContact CB-CG 3.88Å; K126-K128 WeakPolarHBondContact O-CD 3.5Å; K126-K128 WeakPolarHBondContact O-CE 3.42Å; K126-K128 PolarHBondContact O-N 2.61Å; K128-S130 PolarHBondContact O-N 3.15Å; K128-S130 VanDerWaalsContact O-N 3.09Å; K128-V131 HydrophobicContact CB-CB 4.07Å; K128-V131 HydrophobicContact CB-CG2 4.28Å; K128-V131 WeakPolarHBondContact O-CA 3.17Å; K128-V131 PolarHBondContact O-N 2.93Å; K128-V132 WeakPolarHBondContact O-CG2 3.29Å; K128-V132 PolarHBondContact O-N 3.46Å | ||
| 129 | V | 95.9 | Very high | 94.9 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -43 | -45.2 | -175.7 | 169.8 | 0 | 0 | 0 | 0 | 113.2 | N127 V132 R133 E163 V164 M167 | N127-V129 PolarHBondContact O-N 3.15Å; V129-V132 PolarHBondContact O-N 2.96Å; V129-R133 WeakPolarHBondContact O-CB 3.45Å; V129-R133 PolarHBondContact O-N 2.9Å; V129-E163 HydrophobicContact CG1-CG 4.5Å; V129-E163 VanDerWaalsContact CG1-OE1 3.27Å; V129-E163 WeakPolarHBondContact CG1-OE1 3.47Å; V129-V164 HydrophobicContact CG2-CG2 3.88Å; V129-M167 HydrophobicContact CB-CE 4.4Å; V129-M167 HydrophobicContact CG1-CE 3.84Å; V129-M167 HydrophobicContact CG1-SD 4.43Å |
| 130 | S | 96.1 | Very high | 94.9 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 42% | 0.42 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.1 | -48 | 176.7 | 45.7 | 0 | 0 | 0 | 0 | 113 | V96 K128 R133 L134 | V96-S130 VanDerWaalsContact CG2-OG 3.3Å; V96-S130 WeakPolarHBondContact CG2-OG 3.43Å; K128-S130 PolarHBondContact O-N 3.15Å; K128-S130 VanDerWaalsContact O-N 3.09Å; S130-R133 PolarHBondContact O-N 3.48Å; S130-L134 WeakPolarHBondContact O-CB 3.4Å; S130-L134 PolarHBondContact O-N 3.31Å |
| 131 | V | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -37.7 | 177.1 | 180 | 0 | 0 | 0 | 0 | 111.7 | A91 V96 A123 K128 L134 L135 | A91-V131 HydrophobicContact CB-CG1 4.01Å; V96-V131 HydrophobicContact CG2-CG2 3.98Å; A123-V131 HydrophobicContact CB-CB 4.2Å; A123-V131 HydrophobicContact CB-CG1 3.89Å; K128-V131 HydrophobicContact CB-CB 4.07Å; K128-V131 HydrophobicContact CB-CG2 4.28Å; K128-V131 WeakPolarHBondContact O-CA 3.17Å; K128-V131 PolarHBondContact O-N 2.93Å; V131-L134 WeakPolarHBondContact O-CB 3.38Å; V131-L134 PolarHBondContact O-N 2.93Å; V131-L135 HydrophobicContact CG1-CD1 3.8Å; V131-L135 HydrophobicContact CG1-CG 4.12Å; V131-L135 WeakPolarHBondContact O-CB 3.31Å; V131-L135 WeakPolarHBondContact O-CG 3.49Å; V131-L135 PolarHBondContact O-N 3.46Å |
| 132 | V | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | L120 A123 V124 K128 V129 L134 L135 I136 V164 M167 | L120-V132 HydrophobicContact CD1-CG1 4.08Å; A123-V132 HydrophobicContact CB-CG2 3.69Å; V124-V132 HydrophobicContact CB-CG2 4.46Å; V124-V132 HydrophobicContact CG2-CG1 4.13Å; V124-V132 HydrophobicContact CG2-CG2 3.67Å; K128-V132 WeakPolarHBondContact O-CG2 3.29Å; K128-V132 PolarHBondContact O-N 3.46Å; V129-V132 PolarHBondContact O-N 2.96Å; V132-L134 PolarHBondContact O-N 3.13Å; V132-L135 PolarHBondContact O-N 3.03Å; V132-I136 HydrophobicContact CG1-CD1 3.76Å; V132-I136 WeakPolarHBondContact O-CB 3.44Å; V132-I136 WeakPolarHBondContact O-CD1 3.43Å; V132-I136 VanDerWaalsContact O-CG1 3.25Å; V132-I136 WeakPolarHBondContact O-CG1 3.35Å; V132-I136 PolarHBondContact O-N 3.44Å; V132-I136 VanDerWaalsContact O-N 3.08Å; V132-V164 HydrophobicContact CG1-CG1 4.35Å; V132-M167 HydrophobicContact CB-CE 4.15Å; V132-M167 HydrophobicContact CG1-CE 3.9Å |
| 133 | R | 96.4 | Very high | 94.8 | Very high | 126 Ų | 126 | 48.9 Ų | 48.9 | 48% | 0.475 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.6 | -39 | 176.4 | -168.8 | -177.6 | -57 | -76.2 | 0.2 | 111.6 | V129 S130 A137 E163 M167 | V129-R133 WeakPolarHBondContact O-CB 3.45Å; V129-R133 PolarHBondContact O-N 2.9Å; S130-R133 PolarHBondContact O-N 3.48Å; R133-A137 VanDerWaalsContact O-CB 3.3Å; R133-A137 WeakPolarHBondContact O-CB 3.25Å; R133-A137 PolarHBondContact O-N 3.27Å; R133-E163 IonicContact NH2-OE1 3.73Å; R133-E163 PolarHBondContact NH2-OE1 3.29Å; R133-M167 HydrophobicContact CB-SD 3.9Å; R133-M167 HydrophobicContact CG-SD 4.25Å; R133-M167 PolarHBondContact NH2-SD 2.95Å; R133-M167 VanDerWaalsContact NH2-SD 3.43Å |
| 134 | L | 95.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.5 | -48.9 | -179.2 | -167.6 | 143.9 | 0 | 0 | 0 | 113.3 | V96 C99 E100 I103 S130 V131 V132 I136 A137 K138 | V96-L134 HydrophobicContact CG1-CD1 3.64Å; C99-L134 HydrophobicContact CB-CD2 4.43Å; E100-L134 HydrophobicContact CG-CD1 3.37Å; E100-L134 HydrophobicContact CG-CD2 4.43Å; E100-L134 HydrophobicContact CG-CG 4.43Å; E100-L134 WeakPolarHBondContact OE1-CD1 3.36Å; I103-L134 HydrophobicContact CD1-CD2 3.65Å; S130-L134 WeakPolarHBondContact O-CB 3.4Å; S130-L134 PolarHBondContact O-N 3.31Å; V131-L134 WeakPolarHBondContact O-CB 3.38Å; V131-L134 PolarHBondContact O-N 2.93Å; V132-L134 PolarHBondContact O-N 3.13Å; L134-I136 VanDerWaalsContact C-N 3.31Å; L134-I136 PolarHBondContact O-N 3.41Å; L134-A137 PolarHBondContact O-N 2.81Å; L134-A137 VanDerWaalsContact O-N 3.14Å; L134-K138 HydrophobicContact CD2-CG 4.04Å; L134-K138 WeakPolarHBondContact O-CG 3.27Å; L134-K138 PolarHBondContact O-N 3.47Å |
| 135 | L | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.8 | -71 | 169.9 | 0 | 0 | 0 | 111 | L87 I103 L109 P119 L120 A123 V131 V132 K138 G139 A140 | L87-L135 HydrophobicContact CD2-CD2 4.46Å; I103-L135 HydrophobicContact CD1-CD2 3.86Å; L109-L135 HydrophobicContact CD2-CD2 3.82Å; P119-L135 HydrophobicContact CB-CD1 3.94Å; P119-L135 HydrophobicContact CB-CD2 4.3Å; L120-L135 HydrophobicContact CB-CD1 4.24Å; L120-L135 HydrophobicContact CD1-CB 4.19Å; L120-L135 HydrophobicContact CD1-CD1 4.37Å; A123-L135 HydrophobicContact CB-CD1 4.21Å; V131-L135 HydrophobicContact CG1-CD1 3.8Å; V131-L135 HydrophobicContact CG1-CG 4.12Å; V131-L135 WeakPolarHBondContact O-CB 3.31Å; V131-L135 WeakPolarHBondContact O-CG 3.49Å; V131-L135 PolarHBondContact O-N 3.46Å; V132-L135 PolarHBondContact O-N 3.03Å; L135-K138 PolarHBondContact O-N 3.46Å; L135-G139 PolarHBondContact O-N 3.48Å; L135-G139 VanDerWaalsContact O-N 3.13Å; L135-A140 HydrophobicContact CB-CB 4.05Å; L135-A140 VanDerWaalsContact O-CB 3.25Å; L135-A140 WeakPolarHBondContact O-CB 3.46Å; L135-A140 PolarHBondContact O-N 3.13Å |
| 136 | I | 95.1 | Very high | 94.2 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 172.2 | -69.7 | 169.7 | 0 | 0 | 0 | 110.8 | L120 V132 L134 K138 G139 M167 L168 A171 | L120-I136 HydrophobicContact CD1-CG1 4.32Å; V132-I136 HydrophobicContact CG1-CD1 3.76Å; V132-I136 WeakPolarHBondContact O-CB 3.44Å; V132-I136 WeakPolarHBondContact O-CD1 3.43Å; V132-I136 VanDerWaalsContact O-CG1 3.25Å; V132-I136 WeakPolarHBondContact O-CG1 3.35Å; V132-I136 PolarHBondContact O-N 3.44Å; V132-I136 VanDerWaalsContact O-N 3.08Å; L134-I136 VanDerWaalsContact C-N 3.31Å; L134-I136 PolarHBondContact O-N 3.41Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.21Å; I136-G139 PolarHBondContact O-N 2.93Å; I136-M167 HydrophobicContact CD1-CB 4.29Å; I136-L168 HydrophobicContact CD1-CD2 4.05Å; I136-A171 HydrophobicContact CD1-CB 4.27Å; I136-A171 HydrophobicContact CG1-CB 4.45Å; I136-A171 HydrophobicContact CG2-CB 3.57Å |
| 137 | A | 94.5 | Very high | 93.9 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 71% | 0.711 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.7 | -29.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | R133 L134 G139 | R133-A137 VanDerWaalsContact O-CB 3.3Å; R133-A137 WeakPolarHBondContact O-CB 3.25Å; R133-A137 PolarHBondContact O-N 3.27Å; L134-A137 PolarHBondContact O-N 2.81Å; L134-A137 VanDerWaalsContact O-N 3.14Å; A137-G139 VanDerWaalsContact C-N 3.32Å |
| 138 | K | 94.3 | Very high | 93.5 | Very high | 83 Ų | 83 | 54.1 Ų | 54.1 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.3 | 173.1 | -63.2 | -83.3 | -168.7 | 166.1 | 0 | 112.8 | I103 E104 L109 L134 L135 I136 | I103-K138 HydrophobicContact CD1-CG 4.36Å; I103-K138 HydrophobicContact CG2-CB 4.22Å; I103-K138 HydrophobicContact CG2-CD 3.84Å; I103-K138 HydrophobicContact CG2-CG 4.06Å; E104-K138 IonicContact OE1-NZ 3.27Å; E104-K138 PolarHBondContact OE1-NZ 3.33Å; L109-K138 HydrophobicContact CD1-CB 4.38Å; L109-K138 WeakPolarHBondContact CD1-O 3.36Å; L109-K138 HydrophobicContact CD2-CB 4.42Å; L134-K138 HydrophobicContact CD2-CG 4.04Å; L134-K138 WeakPolarHBondContact O-CG 3.27Å; L134-K138 PolarHBondContact O-N 3.47Å; L135-K138 PolarHBondContact O-N 3.46Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.21Å |
| 139 | G | 91.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 51.3 Ų | 51.3 | 55% | 0.546 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | 16.7 | 169 | 0 | 0 | 0 | 0 | 0 | 117.2 | L135 I136 A137 | L135-G139 PolarHBondContact O-N 3.48Å; L135-G139 VanDerWaalsContact O-N 3.13Å; I136-G139 PolarHBondContact O-N 2.93Å; A137-G139 VanDerWaalsContact C-N 3.32Å |
| 140 | A | 93.2 | Very high | 93 | Very high | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -62.6 | 144.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L109 E110 L135 V142 | L109-A140 HydrophobicContact CB-CB 4.14Å; L109-A140 HydrophobicContact CD1-CB 4.37Å; E110-A140 WeakPolarHBondContact OE1-CA 3.3Å; L135-A140 HydrophobicContact CB-CB 4.05Å; L135-A140 VanDerWaalsContact O-CB 3.25Å; L135-A140 WeakPolarHBondContact O-CB 3.46Å; L135-A140 PolarHBondContact O-N 3.13Å; A140-V142 PolarHBondContact O-N 3.07Å | ||
| 141 | R | 93 | Very high | 92.9 | Very high | 163 Ų | 163 | 47.2 Ų | 47.2 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | trans | -75.2 | 90.3 | -174.4 | -67.3 | 168 | -178.9 | 178.1 | 2 | 112.5 | E110 N143 L144 | E110-R141 VanDerWaalsContact OE1-CG 3.3Å; E110-R141 WeakPolarHBondContact OE1-CG 3.26Å; E110-R141 PolarHBondContact OE1-N 3.48Å; E110-R141 WeakPolarHBondContact OE2-CB 3.44Å; E110-R141 PolarHBondContact OE2-N 2.87Å; R141-N143 PolarHBondContact O-N 3.48Å; R141-L144 HydrophobicContact CB-CD1 3.96Å; R141-L144 HydrophobicContact CB-CG 3.83Å; R141-L144 PolarHBondContact O-N 2.97Å | ||
| 142 | V | 93.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -21.3 | 175.7 | -163.7 | 0 | 0 | 0 | 0 | 115.6 | A140 L168 A171 A173 | A140-V142 PolarHBondContact O-N 3.07Å; V142-L168 HydrophobicContact CG1-CB 4.31Å; V142-L168 HydrophobicContact CG1-CD2 3.68Å; V142-A171 HydrophobicContact CG2-CB 3.95Å; V142-A173 HydrophobicContact CG1-CB 3.75Å |
| 143 | N | 93.3 | Very high | 92.8 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 10.2 | -168.5 | -71.9 | -57.3 | 0 | 0 | 0 | 115.4 | R141 G172 A173 K174 | R141-N143 PolarHBondContact O-N 3.48Å; N143-G172 PolarHBondContact ND2-O 3.28Å; N143-G172 VanDerWaalsContact ND2-O 3.07Å; N143-A173 WeakPolarHBondContact OD1-CA 3.44Å; N143-K174 WeakPolarHBondContact OD1-CB 3.24Å; N143-K174 PolarHBondContact OD1-N 3.25Å |
| 144 | L | 91.9 | Very high | 92.7 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 22% | 0.22 | 22% | 0.224 | C | C | . | . | trans | -66.8 | 161.4 | 169.3 | -65.5 | 176.7 | 0 | 0 | 0 | 111.2 | E110 T118 R141 S151 P152 | E110-L144 HydrophobicContact CB-CD1 4.28Å; E110-L144 WeakPolarHBondContact OE2-CD1 3.49Å; T118-L144 HydrophobicContact CG2-CD1 3.72Å; R141-L144 HydrophobicContact CB-CD1 3.96Å; R141-L144 HydrophobicContact CB-CG 3.83Å; R141-L144 PolarHBondContact O-N 2.97Å; L144-S151 WeakPolarHBondContact O-CA 3.19Å; L144-P152 WeakPolarHBondContact O-CD 3.45Å | ||
| 145 | I | 91.3 | Very high | 92.7 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 44% | 0.441 | 23% | 0.226 | S | C | . | . | trans | -130.6 | 139.1 | -179.2 | 54.4 | 177.2 | 0 | 0 | 0 | 109.2 | M150 I177 | I145-M150 WeakPolarHBondContact CA-O 3.21Å; I145-I177 HydrophobicContact CG2-CG2 3.78Å | ||
| 146 | D | 89.7 | Confident | 92.7 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | trans | -70.1 | 178.6 | 171.8 | 66.2 | 16.4 | 0 | 0 | 0 | 111.8 | H148 G149 M150 W155 | D146-H148 PolarHBondContact O-N 3Å; D146-H148 VanDerWaalsContact O-N 3.11Å; D146-H148 VanDerWaalsContact OD1-CA 3.29Å; D146-H148 WeakPolarHBondContact OD1-CA 3.43Å; D146-H148 WeakPolarHBondContact OD1-CB 3.4Å; D146-H148 PolarHBondContact OD1-N 3.21Å; D146-G149 PolarHBondContact O-N 2.96Å; D146-G149 PolarHBondContact OD1-N 3.01Å; D146-G149 VanDerWaalsContact OD1-N 3.09Å; D146-M150 PolarHBondContact N-O 2.97Å; D146-M150 WeakPolarHBondContact OD1-CB 3.45Å; D146-M150 PolarHBondContact OD1-N 2.85Å; D146-W155 WeakPolarHBondContact OD2-CZ2 3.37Å; D146-W155 PolarHBondContact OD2-NE1 3.35Å | ||
| 147 | E | 89.1 | Confident | 92.7 | Very high | 108 Ų | 108 | 40.5 Ų | 40.5 | 51% | 0.505 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -39.1 | 174.5 | -85.7 | -150.5 | 124.6 | 0 | 0 | 112.4 | A115 G149 R180 | A115-E147 PolarHBondContact O-N 3.32Å; A115-E147 VanDerWaalsContact O-N 3.13Å; E147-G149 PolarHBondContact O-N 3.28Å; E147-R180 PolarHBondContact O-NE 3.31Å; E147-R180 PolarHBondContact O-NH2 3.03Å |
| 148 | H | 86.4 | Confident | 92.7 | Very high | 96 Ų | 96 | 37.4 Ų | 37.4 | 44% | 0.444 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -0.9 | -177.9 | -56.4 | -17.6 | 0 | 0 | 0 | 113.7 | D146 M150 R180 | D146-H148 PolarHBondContact O-N 3Å; D146-H148 VanDerWaalsContact O-N 3.11Å; D146-H148 VanDerWaalsContact OD1-CA 3.29Å; D146-H148 WeakPolarHBondContact OD1-CA 3.43Å; D146-H148 WeakPolarHBondContact OD1-CB 3.4Å; D146-H148 PolarHBondContact OD1-N 3.21Å; H148-M150 VanDerWaalsContact C-N 3.31Å; H148-M150 HydrophobicContact CB-CG 4.21Å; H148-R180 WeakPolarHBondContact O-CG 3.42Å; H148-R180 PolarHBondContact O-N 3.16Å |
| 149 | G | 90.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 79.2 | 12.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D146 E147 | D146-G149 PolarHBondContact O-N 2.96Å; D146-G149 PolarHBondContact OD1-N 3.01Å; D146-G149 VanDerWaalsContact OD1-N 3.09Å; E147-G149 PolarHBondContact O-N 3.28Å |
| 150 | M | 92.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | trans | -88.7 | 126.6 | -177.8 | -64 | -85.4 | -69.9 | 0 | 0 | 110.3 | I145 D146 H148 M154 W155 D179 W188 | I145-M150 WeakPolarHBondContact CA-O 3.21Å; D146-M150 PolarHBondContact N-O 2.97Å; D146-M150 WeakPolarHBondContact OD1-CB 3.45Å; D146-M150 PolarHBondContact OD1-N 2.85Å; H148-M150 VanDerWaalsContact C-N 3.31Å; H148-M150 HydrophobicContact CB-CG 4.21Å; M150-M154 HydrophobicContact CB-SD 4.34Å; M150-M154 HydrophobicContact CE-CB 3.76Å; M150-M154 HydrophobicContact CG-SD 4.48Å; M150-M154 HydrophobicContact SD-CB 4.01Å; M150-M154 HydrophobicContact SD-SD 3.67Å; M150-M154 VanDerWaalsContact SD-SD 3.67Å; M150-W155 HydrophobicContact CB-CD2 4.46Å; M150-W155 HydrophobicContact CB-CZ2 4.13Å; M150-W155 VanDerWaalsContact CB-NE1 3.32Å; M150-W155 HydrophobicContact CE-CD2 3.81Å; M150-W155 HydrophobicContact CE-CE3 3.88Å; M150-W155 HydrophobicContact CE-CG 4.38Å; M150-W155 HydrophobicContact CE-CH2 4.25Å; M150-W155 HydrophobicContact CE-CZ2 4.14Å; M150-W155 HydrophobicContact CE-CZ3 4.11Å; M150-W155 HydrophobicContact CG-CZ2 4.06Å; M150-D179 HydrophobicContact CG-CB 4.14Å; M150-D179 HydrophobicContact SD-CB 3.69Å; M150-W188 HydrophobicContact CE-CD2 4.5Å; M150-W188 HydrophobicContact CE-CZ2 4.2Å; M150-W188 HydrophobicContact SD-CZ2 4.08Å; M150-W188 PolarHBondContact SD-NE1 3.48Å | ||
| 151 | S | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -85.9 | 162.6 | 172.6 | 70.3 | 0 | 0 | 0 | 0 | 112 | L144 L153 M154 W155 | L144-S151 WeakPolarHBondContact O-CA 3.19Å; S151-L153 PolarHBondContact O-N 3.44Å; S151-L153 VanDerWaalsContact O-N 3.13Å; S151-M154 WeakPolarHBondContact O-CB 3.44Å; S151-M154 PolarHBondContact O-N 3.33Å; S151-W155 PolarHBondContact O-N 3.25Å; S151-W155 VanDerWaalsContact O-N 3.08Å | ||
| 152 | P | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -47.9 | -39.9 | 170.5 | -29.7 | 33.9 | 0 | 0 | 0 | 113.3 | L120 V124 L144 M154 W155 A156 L168 | L120-P152 HydrophobicContact CD2-CG 4.17Å; L120-P152 HydrophobicContact CG-CB 4.43Å; L120-P152 HydrophobicContact CG-CG 4.26Å; V124-P152 WeakPolarHBondContact CG1-O 3.36Å; V124-P152 HydrophobicContact CG2-CB 4.26Å; L144-P152 WeakPolarHBondContact O-CD 3.45Å; P152-M154 PolarHBondContact O-N 3.36Å; P152-W155 PolarHBondContact O-N 2.95Å; P152-A156 PolarHBondContact O-N 2.97Å; P152-L168 HydrophobicContact CB-CD1 4.22Å; P152-L168 HydrophobicContact CB-CD2 4.08Å |
| 153 | L | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.8 | -174.3 | 67.3 | 0 | 0 | 0 | 112.1 | S151 S157 V165 L168 L169 A173 V175 L201 | S151-L153 PolarHBondContact O-N 3.44Å; S151-L153 VanDerWaalsContact O-N 3.13Å; L153-S157 WeakPolarHBondContact O-CB 3.47Å; L153-S157 PolarHBondContact O-N 2.97Å; L153-S157 PolarHBondContact O-OG 3.44Å; L153-V165 HydrophobicContact CD1-CG1 4.09Å; L153-L168 HydrophobicContact CD1-CB 4.07Å; L153-L169 HydrophobicContact CD1-CD2 3.99Å; L153-L169 HydrophobicContact CD1-CG 4Å; L153-L169 HydrophobicContact CD2-CD2 3.94Å; L153-A173 HydrophobicContact CB-CB 4.13Å; L153-A173 HydrophobicContact CD1-CB 4.29Å; L153-A173 HydrophobicContact CD2-CB 3.9Å; L153-A173 HydrophobicContact CG-CB 4.32Å; L153-V175 HydrophobicContact CD2-CB 4.48Å; L153-V175 HydrophobicContact CD2-CG1 4.28Å; L153-V175 HydrophobicContact CD2-CG2 4.37Å; L153-L201 HydrophobicContact CD1-CD2 4.24Å; L153-L201 HydrophobicContact CD2-CD2 4.1Å; L153-L201 HydrophobicContact CG-CD2 4.34Å |
| 154 | M | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 174.9 | -63.9 | -176.5 | -169.1 | 0 | 0 | 111.9 | M150 S151 P152 A156 S157 A158 I177 D179 S185 | M150-M154 HydrophobicContact CB-SD 4.34Å; M150-M154 HydrophobicContact CE-CB 3.76Å; M150-M154 HydrophobicContact CG-SD 4.48Å; M150-M154 HydrophobicContact SD-CB 4.01Å; M150-M154 HydrophobicContact SD-SD 3.67Å; M150-M154 VanDerWaalsContact SD-SD 3.67Å; S151-M154 WeakPolarHBondContact O-CB 3.44Å; S151-M154 PolarHBondContact O-N 3.33Å; P152-M154 PolarHBondContact O-N 3.36Å; M154-A156 VanDerWaalsContact C-N 3.32Å; M154-A156 PolarHBondContact O-N 3.04Å; M154-S157 PolarHBondContact O-N 3.19Å; M154-A158 VanDerWaalsContact O-CB 3.29Å; M154-A158 WeakPolarHBondContact O-CB 3.47Å; M154-A158 PolarHBondContact O-N 2.82Å; M154-I177 HydrophobicContact CE-CB 3.87Å; M154-I177 HydrophobicContact CE-CG2 3.64Å; M154-I177 WeakPolarHBondContact CE-O 3.31Å; M154-D179 HydrophobicContact SD-CB 4.06Å; M154-S185 WeakPolarHBondContact CG-OG 3.18Å |
| 155 | W | 94.4 | Very high | 93.4 | Very high | 40 Ų | 40 | 30.9 Ų | 30.9 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 179.3 | -78.8 | 122.7 | 0 | 0 | 0 | 112.6 | W117 V124 Y125 D146 M150 S151 P152 R159 | W117-W155 AromaticContact CH2-CD2 3.8Å; W117-W155 HydrophobicContact CH2-CD2 3.8Å; W117-W155 AromaticContact CH2-CE2 3.21Å; W117-W155 HydrophobicContact CH2-CE3 4.4Å; W117-W155 HydrophobicContact CH2-CG 4.31Å; W117-W155 AromaticContact CH2-CH2 3.99Å; W117-W155 HydrophobicContact CH2-CH2 3.99Å; W117-W155 AromaticContact CH2-CZ2 3.34Å; W117-W155 HydrophobicContact CH2-CZ2 3.34Å; W117-W155 HydrophobicContact CH2-CZ3 4.48Å; W117-W155 AromaticContact CH2-NE1 3.39Å; W117-W155 AromaticContact CZ2-CE2 3.71Å; W117-W155 HydrophobicContact CZ2-CH2 4.24Å; W117-W155 AromaticContact CZ2-CZ2 3.46Å; W117-W155 HydrophobicContact CZ2-CZ2 3.46Å; W117-W155 VanDerWaalsContact CZ2-CZ2 3.46Å; W117-W155 AromaticContact CZ2-NE1 3.83Å; W117-W155 HydrophobicContact CZ3-CD2 4.38Å; W117-W155 HydrophobicContact CZ3-CG 4.45Å; W117-W155 AromaticContact CZ3-NE1 3.87Å; V124-W155 HydrophobicContact CG1-CB 4.15Å; Y125-W155 HydrophobicContact CD2-CD2 4.43Å; Y125-W155 HydrophobicContact CD2-CE3 4.23Å; Y125-W155 HydrophobicContact CD2-CZ3 4.46Å; Y125-W155 HydrophobicContact CE2-CZ3 4.3Å; D146-W155 WeakPolarHBondContact OD2-CZ2 3.37Å; D146-W155 PolarHBondContact OD2-NE1 3.35Å; M150-W155 HydrophobicContact CB-CD2 4.46Å; M150-W155 HydrophobicContact CB-CZ2 4.13Å; M150-W155 VanDerWaalsContact CB-NE1 3.32Å; M150-W155 HydrophobicContact CE-CD2 3.81Å; M150-W155 HydrophobicContact CE-CE3 3.88Å; M150-W155 HydrophobicContact CE-CG 4.38Å; M150-W155 HydrophobicContact CE-CH2 4.25Å; M150-W155 HydrophobicContact CE-CZ2 4.14Å; M150-W155 HydrophobicContact CE-CZ3 4.11Å; M150-W155 HydrophobicContact CG-CZ2 4.06Å; S151-W155 PolarHBondContact O-N 3.25Å; S151-W155 VanDerWaalsContact O-N 3.08Å; P152-W155 PolarHBondContact O-N 2.95Å; W155-R159 WeakPolarHBondContact O-CG 3.09Å; W155-R159 PolarHBondContact O-N 3.04Å |
| 156 | A | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.1 | -46.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V124 P152 M154 R159 G160 Y161 V164 V165 L168 | V124-A156 HydrophobicContact CG1-CB 3.78Å; P152-A156 PolarHBondContact O-N 2.97Å; M154-A156 VanDerWaalsContact C-N 3.32Å; M154-A156 PolarHBondContact O-N 3.04Å; A156-R159 PolarHBondContact O-N 2.92Å; A156-G160 PolarHBondContact O-N 3.4Å; A156-Y161 PolarHBondContact O-N 3.39Å; A156-V164 HydrophobicContact CB-CB 4.26Å; A156-V164 HydrophobicContact CB-CG1 3.78Å; A156-V165 HydrophobicContact CB-CG2 3.64Å; A156-L168 HydrophobicContact CB-CD1 3.92Å |
| 157 | S | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 179.5 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | L153 M154 R159 G160 S185 | L153-S157 WeakPolarHBondContact O-CB 3.47Å; L153-S157 PolarHBondContact O-N 2.97Å; L153-S157 PolarHBondContact O-OG 3.44Å; M154-S157 PolarHBondContact O-N 3.19Å; S157-R159 VanDerWaalsContact C-N 3.34Å; S157-R159 PolarHBondContact O-N 3.01Å; S157-G160 PolarHBondContact O-N 3.35Å; S157-S185 WeakPolarHBondContact CB-O 3.27Å |
| 158 | A | 93.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 17% | 0.174 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.4 | -35.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M154 W188 R192 | M154-A158 VanDerWaalsContact O-CB 3.29Å; M154-A158 WeakPolarHBondContact O-CB 3.47Å; M154-A158 PolarHBondContact O-N 2.82Å; A158-W188 HydrophobicContact CB-CB 4.04Å; A158-W188 HydrophobicContact CB-CD2 3.92Å; A158-W188 HydrophobicContact CB-CE3 3.65Å; A158-W188 HydrophobicContact CB-CG 4.12Å; A158-W188 HydrophobicContact CB-CZ3 4.38Å; A158-R192 WeakPolarHBondContact O-CD 3.38Å; A158-R192 WeakPolarHBondContact O-CG 3.44Å |
| 159 | R | 94.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 23.7 Ų | 23.7 | 21% | 0.211 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -78.2 | -31.9 | 175.7 | -73.4 | -176.3 | 156.9 | 61.7 | 14.3 | 113.1 | Y125 W155 A156 S157 Y161 R192 | Y125-R159 WeakPolarHBondContact O-CD 3.32Å; Y125-R159 PolarHBondContact O-NE 2.97Å; Y125-R159 PolarHBondContact OH-NH2 3.33Å; W155-R159 WeakPolarHBondContact O-CG 3.09Å; W155-R159 PolarHBondContact O-N 3.04Å; A156-R159 PolarHBondContact O-N 2.92Å; S157-R159 VanDerWaalsContact C-N 3.34Å; S157-R159 PolarHBondContact O-N 3.01Å; R159-Y161 HydrophobicContact CB-CD1 4.2Å; R159-Y161 HydrophobicContact CB-CD2 3.87Å; R159-Y161 HydrophobicContact CB-CE1 4.01Å; R159-Y161 HydrophobicContact CB-CE2 3.66Å; R159-Y161 HydrophobicContact CB-CG 4.13Å; R159-Y161 HydrophobicContact CG-CE2 4.11Å; R159-R192 PolarHBondContact O-NE 2.87Å; R159-R192 PolarHBondContact O-NH2 2.96Å; R159-R192 VanDerWaalsContact O-NH2 3.16Å |
| 160 | G | 93.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 16% | 0.155 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 25.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A156 S157 V162 N194 | A156-G160 PolarHBondContact O-N 3.4Å; S157-G160 PolarHBondContact O-N 3.35Å; G160-V162 PolarHBondContact O-N 3.1Å; G160-N194 PolarHBondContact O-ND2 2.95Å |
| 161 | Y | 95.5 | Very high | 94.8 | Very high | 65 Ų | 65 | 31.6 Ų | 31.6 | 26% | 0.255 | 16% | 0.164 | S | C | . | . | trans | -84.5 | 90 | -175.5 | -59.5 | -27.9 | 0 | 0 | 0 | 111.8 | V124 N127 A156 R159 E163 V164 V165 | V124-Y161 WeakPolarHBondContact O-CE2 3.34Å; N127-Y161 HydrophobicContact CB-CD2 3.97Å; N127-Y161 HydrophobicContact CB-CE1 4.13Å; N127-Y161 HydrophobicContact CB-CE2 3.48Å; N127-Y161 VanDerWaalsContact CB-CE2 3.48Å; N127-Y161 HydrophobicContact CB-CG 4.49Å; N127-Y161 VanDerWaalsContact OD1-CD2 3.31Å; N127-Y161 WeakPolarHBondContact OD1-CD2 3.36Å; N127-Y161 VanDerWaalsContact OD1-CG 3.3Å; A156-Y161 PolarHBondContact O-N 3.39Å; R159-Y161 HydrophobicContact CB-CD1 4.2Å; R159-Y161 HydrophobicContact CB-CD2 3.87Å; R159-Y161 HydrophobicContact CB-CE1 4.01Å; R159-Y161 HydrophobicContact CB-CE2 3.66Å; R159-Y161 HydrophobicContact CB-CG 4.13Å; R159-Y161 HydrophobicContact CG-CE2 4.11Å; Y161-E163 PolarHBondContact O-N 3.23Å; Y161-V164 PolarHBondContact O-N 3.13Å; Y161-V165 WeakPolarHBondContact O-CG2 3.46Å; Y161-V165 PolarHBondContact O-N 3.36Å | ||
| 162 | V | 95.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 29% | 0.285 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.1 | -48.7 | -171.6 | -167.7 | 0 | 0 | 0 | 0 | 112.8 | G160 V164 V165 Q166 P196 I197 | G160-V162 PolarHBondContact O-N 3.1Å; V162-V164 PolarHBondContact O-N 2.77Å; V162-V165 PolarHBondContact O-N 2.92Å; V162-Q166 WeakPolarHBondContact O-CG 3.29Å; V162-Q166 PolarHBondContact O-N 2.81Å; V162-P196 HydrophobicContact CG1-CB 3.91Å; V162-P196 HydrophobicContact CG2-CB 4.24Å; V162-I197 HydrophobicContact CB-CG1 4.37Å; V162-I197 HydrophobicContact CG1-CG1 4.42Å; V162-I197 HydrophobicContact CG2-CD1 4.25Å; V162-I197 HydrophobicContact CG2-CG1 4.09Å |
| 163 | E | 95.9 | Very high | 94.7 | Very high | 91 Ų | 91 | 34.3 Ų | 34.3 | 43% | 0.425 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 178.9 | -173.7 | -173.9 | 175.4 | 0 | 0 | 111.7 | V129 R133 Y161 Q166 M167 | V129-E163 HydrophobicContact CG1-CG 4.5Å; V129-E163 VanDerWaalsContact CG1-OE1 3.27Å; V129-E163 WeakPolarHBondContact CG1-OE1 3.47Å; R133-E163 IonicContact NH2-OE1 3.73Å; R133-E163 PolarHBondContact NH2-OE1 3.29Å; Y161-E163 PolarHBondContact O-N 3.23Å; E163-Q166 PolarHBondContact O-N 2.86Å; E163-M167 HydrophobicContact CG-CE 4.49Å; E163-M167 WeakPolarHBondContact O-CG 3.43Å; E163-M167 PolarHBondContact O-N 2.98Å |
| 164 | V | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 178.3 | 179.5 | 0 | 0 | 0 | 0 | 111 | V124 N127 V129 V132 A156 Y161 V162 Q166 M167 L168 | V124-V164 HydrophobicContact CB-CG1 4.32Å; V124-V164 HydrophobicContact CG1-CG1 3.94Å; V124-V164 HydrophobicContact CG2-CG1 3.8Å; N127-V164 WeakPolarHBondContact OD1-CG2 2.88Å; V129-V164 HydrophobicContact CG2-CG2 3.88Å; V132-V164 HydrophobicContact CG1-CG1 4.35Å; A156-V164 HydrophobicContact CB-CB 4.26Å; A156-V164 HydrophobicContact CB-CG1 3.78Å; Y161-V164 PolarHBondContact O-N 3.13Å; V162-V164 PolarHBondContact O-N 2.77Å; V164-Q166 VanDerWaalsContact C-N 3.33Å; V164-Q166 PolarHBondContact O-N 2.86Å; V164-M167 HydrophobicContact CB-CE 4.47Å; V164-M167 HydrophobicContact CG2-CE 4.14Å; V164-M167 PolarHBondContact O-N 3.09Å; V164-L168 HydrophobicContact CG1-CD1 3.86Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CB 3.29Å; V164-L168 WeakPolarHBondContact O-CD1 3.47Å; V164-L168 WeakPolarHBondContact O-CG 3.42Å; V164-L168 PolarHBondContact O-N 2.9Å |
| 165 | V | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 172.1 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | L153 A156 Y161 V162 L168 L169 I197 A200 L201 | L153-V165 HydrophobicContact CD1-CG1 4.09Å; A156-V165 HydrophobicContact CB-CG2 3.64Å; Y161-V165 WeakPolarHBondContact O-CG2 3.46Å; Y161-V165 PolarHBondContact O-N 3.36Å; V162-V165 PolarHBondContact O-N 2.92Å; V165-L168 PolarHBondContact O-N 3.11Å; V165-L169 HydrophobicContact CG1-CD1 3.74Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 WeakPolarHBondContact O-CB 3.46Å; V165-L169 VanDerWaalsContact O-CG 3.27Å; V165-L169 WeakPolarHBondContact O-CG 3.45Å; V165-L169 PolarHBondContact O-N 3.05Å; V165-I197 HydrophobicContact CB-CG1 4.38Å; V165-I197 HydrophobicContact CG1-CG2 4.23Å; V165-I197 HydrophobicContact CG2-CD1 3.99Å; V165-I197 HydrophobicContact CG2-CG1 4.15Å; V165-I197 HydrophobicContact CG2-CG2 4.12Å; V165-A200 HydrophobicContact CG1-CB 4.47Å; V165-L201 HydrophobicContact CG1-CD2 4.38Å |
| 166 | Q | 95.4 | Very high | 94.2 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 45% | 0.453 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.6 | -52.3 | 177.9 | -73.5 | 171.9 | -19.1 | 0 | 0 | 111.3 | V162 E163 V164 L168 L169 D170 | V162-Q166 WeakPolarHBondContact O-CG 3.29Å; V162-Q166 PolarHBondContact O-N 2.81Å; E163-Q166 PolarHBondContact O-N 2.86Å; V164-Q166 VanDerWaalsContact C-N 3.33Å; V164-Q166 PolarHBondContact O-N 2.86Å; Q166-L168 VanDerWaalsContact C-N 3.27Å; Q166-L168 PolarHBondContact O-N 3.08Å; Q166-L169 PolarHBondContact O-N 3.13Å; Q166-L169 VanDerWaalsContact O-N 3.1Å; Q166-D170 WeakPolarHBondContact O-CB 3.44Å; Q166-D170 PolarHBondContact O-N 2.8Å |
| 167 | M | 95.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.1 | -38.8 | 177.2 | -68.5 | -170.9 | -64 | 0 | 0 | 113.3 | V129 V132 R133 I136 E163 V164 A171 | V129-M167 HydrophobicContact CB-CE 4.4Å; V129-M167 HydrophobicContact CG1-CE 3.84Å; V129-M167 HydrophobicContact CG1-SD 4.43Å; V132-M167 HydrophobicContact CB-CE 4.15Å; V132-M167 HydrophobicContact CG1-CE 3.9Å; R133-M167 HydrophobicContact CB-SD 3.9Å; R133-M167 HydrophobicContact CG-SD 4.25Å; R133-M167 PolarHBondContact NH2-SD 2.95Å; R133-M167 VanDerWaalsContact NH2-SD 3.43Å; I136-M167 HydrophobicContact CD1-CB 4.29Å; E163-M167 HydrophobicContact CG-CE 4.49Å; E163-M167 WeakPolarHBondContact O-CG 3.43Å; E163-M167 PolarHBondContact O-N 2.98Å; V164-M167 HydrophobicContact CB-CE 4.47Å; V164-M167 HydrophobicContact CG2-CE 4.14Å; V164-M167 PolarHBondContact O-N 3.09Å; M167-A171 VanDerWaalsContact O-CB 3.24Å; M167-A171 WeakPolarHBondContact O-CB 3.41Å; M167-A171 PolarHBondContact O-N 3.26Å; M167-A171 VanDerWaalsContact O-N 3.13Å |
| 168 | L | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.7 | -40.4 | 178 | -67.5 | 167.2 | 0 | 0 | 0 | 111.8 | V124 I136 V142 P152 L153 A156 V164 V165 Q166 A171 G172 A173 | V124-L168 HydrophobicContact CG2-CD1 4.14Å; V124-L168 HydrophobicContact CG2-CD2 4.45Å; I136-L168 HydrophobicContact CD1-CD2 4.05Å; V142-L168 HydrophobicContact CG1-CB 4.31Å; V142-L168 HydrophobicContact CG1-CD2 3.68Å; P152-L168 HydrophobicContact CB-CD1 4.22Å; P152-L168 HydrophobicContact CB-CD2 4.08Å; L153-L168 HydrophobicContact CD1-CB 4.07Å; A156-L168 HydrophobicContact CB-CD1 3.92Å; V164-L168 HydrophobicContact CG1-CD1 3.86Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CB 3.29Å; V164-L168 WeakPolarHBondContact O-CD1 3.47Å; V164-L168 WeakPolarHBondContact O-CG 3.42Å; V164-L168 PolarHBondContact O-N 2.9Å; V165-L168 PolarHBondContact O-N 3.11Å; Q166-L168 VanDerWaalsContact C-N 3.27Å; Q166-L168 PolarHBondContact O-N 3.08Å; L168-A171 CarbonylContact O-C 3.57Å; L168-A171 PolarHBondContact O-N 3.21Å; L168-G172 PolarHBondContact O-N 3.42Å; L168-A173 HydrophobicContact CB-CB 4.15Å; L168-A173 WeakPolarHBondContact O-CB 3.41Å; L168-A173 PolarHBondContact O-N 3.47Å |
| 169 | L | 95.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.4 | -71 | 173.9 | 0 | 0 | 0 | 111.9 | L153 V165 Q166 A171 G172 V175 A200 L201 A204 | L153-L169 HydrophobicContact CD1-CD2 3.99Å; L153-L169 HydrophobicContact CD1-CG 4Å; L153-L169 HydrophobicContact CD2-CD2 3.94Å; V165-L169 HydrophobicContact CG1-CD1 3.74Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 WeakPolarHBondContact O-CB 3.46Å; V165-L169 VanDerWaalsContact O-CG 3.27Å; V165-L169 WeakPolarHBondContact O-CG 3.45Å; V165-L169 PolarHBondContact O-N 3.05Å; Q166-L169 PolarHBondContact O-N 3.13Å; Q166-L169 VanDerWaalsContact O-N 3.1Å; L169-A171 PolarHBondContact O-N 2.95Å; L169-G172 PolarHBondContact O-N 3.23Å; L169-V175 HydrophobicContact CD2-CG2 3.72Å; L169-A200 HydrophobicContact CD1-CB 4Å; L169-L201 HydrophobicContact CD1-CD2 4.21Å; L169-L201 HydrophobicContact CD2-CD2 4.24Å; L169-A204 HydrophobicContact CD1-CB 4.19Å; L169-A204 HydrophobicContact CD2-CB 3.81Å |
| 170 | D | 93.6 | Very high | 93.6 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 77% | 0.765 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62 | -29.3 | 175.9 | -63.9 | -25.1 | 0 | 0 | 0 | 111.5 | Q166 G172 | Q166-D170 WeakPolarHBondContact O-CB 3.44Å; Q166-D170 PolarHBondContact O-N 2.8Å; D170-G172 VanDerWaalsContact C-N 3.32Å |
| 171 | A | 93.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 64.6 Ų | 64.6 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 8.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I136 V142 M167 L168 L169 | I136-A171 HydrophobicContact CD1-CB 4.27Å; I136-A171 HydrophobicContact CG1-CB 4.45Å; I136-A171 HydrophobicContact CG2-CB 3.57Å; V142-A171 HydrophobicContact CG2-CB 3.95Å; M167-A171 VanDerWaalsContact O-CB 3.24Å; M167-A171 WeakPolarHBondContact O-CB 3.41Å; M167-A171 PolarHBondContact O-N 3.26Å; M167-A171 VanDerWaalsContact O-N 3.13Å; L168-A171 CarbonylContact O-C 3.57Å; L168-A171 PolarHBondContact O-N 3.21Å; L169-A171 PolarHBondContact O-N 2.95Å |
| 172 | G | 91.5 | Very high | 93 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 32.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N143 L168 L169 D170 K174 | N143-G172 PolarHBondContact ND2-O 3.28Å; N143-G172 VanDerWaalsContact ND2-O 3.07Å; L168-G172 PolarHBondContact O-N 3.42Å; L169-G172 PolarHBondContact O-N 3.23Å; D170-G172 VanDerWaalsContact C-N 3.32Å; G172-K174 PolarHBondContact O-N 3.11Å |
| 173 | A | 94.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 60.3 Ų | 60.3 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | trans | -61.9 | 126.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | V142 N143 L153 L168 V175 | V142-A173 HydrophobicContact CG1-CB 3.75Å; N143-A173 WeakPolarHBondContact OD1-CA 3.44Å; L153-A173 HydrophobicContact CB-CB 4.13Å; L153-A173 HydrophobicContact CD1-CB 4.29Å; L153-A173 HydrophobicContact CD2-CB 3.9Å; L153-A173 HydrophobicContact CG-CB 4.32Å; L168-A173 HydrophobicContact CB-CB 4.15Å; L168-A173 WeakPolarHBondContact O-CB 3.41Å; L168-A173 PolarHBondContact O-N 3.47Å; A173-V175 PolarHBondContact O-N 3.12Å | ||
| 174 | K | 92.3 | Very high | 92.7 | Very high | 136 Ų | 136 | 56 Ų | 56 | 59% | 0.591 | 28% | 0.279 | S | S | * | . | trans | -71.7 | 115.1 | 176.6 | -68.6 | 178.6 | 178.5 | -177.7 | 0 | 109.9 | N143 G172 E176 I177 | N143-K174 WeakPolarHBondContact OD1-CB 3.24Å; N143-K174 PolarHBondContact OD1-N 3.25Å; G172-K174 PolarHBondContact O-N 3.11Å; K174-E176 VanDerWaalsContact C-N 3.26Å; K174-E176 PolarHBondContact O-N 2.96Å; K174-I177 HydrophobicContact CB-CD1 4Å; K174-I177 HydrophobicContact CB-CG1 3.95Å | ||
| 175 | V | 92.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.2 | -176.5 | -154.5 | 0 | 0 | 0 | 0 | 113.2 | L153 L169 A173 L201 A204 | L153-V175 HydrophobicContact CD2-CB 4.48Å; L153-V175 HydrophobicContact CD2-CG1 4.28Å; L153-V175 HydrophobicContact CD2-CG2 4.37Å; L169-V175 HydrophobicContact CD2-CG2 3.72Å; A173-V175 PolarHBondContact O-N 3.12Å; V175-L201 HydrophobicContact CG1-CB 4.32Å; V175-L201 HydrophobicContact CG1-CD2 3.71Å; V175-A204 HydrophobicContact CG2-CB 3.93Å |
| 176 | E | 89.4 | Confident | 92.6 | Very high | 157 Ų | 157 | 56 Ų | 56 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.1 | -175.5 | -58.4 | -174.1 | 142.7 | 0 | 0 | 114.9 | K174 | K174-E176 VanDerWaalsContact C-N 3.26Å; K174-E176 PolarHBondContact O-N 2.96Å |
| 177 | I | 92.3 | Very high | 92.4 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | trans | -56.4 | 146 | 179.1 | -56.4 | 175.6 | 0 | 0 | 0 | 109.2 | I145 M154 K174 N184 | I145-I177 HydrophobicContact CG2-CG2 3.78Å; M154-I177 HydrophobicContact CE-CB 3.87Å; M154-I177 HydrophobicContact CE-CG2 3.64Å; M154-I177 WeakPolarHBondContact CE-O 3.31Å; K174-I177 HydrophobicContact CB-CD1 4Å; K174-I177 HydrophobicContact CB-CG1 3.95Å; I177-N184 WeakPolarHBondContact O-CA 3.45Å | ||
| 178 | R | 91.8 | Very high | 92.4 | Very high | 136 Ų | 136 | 53.5 Ų | 53.5 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | trans | -129.5 | 139.1 | 177.6 | -56.1 | -175.1 | -167.7 | -170.7 | 3.6 | 111.4 | N183 V210 | R178-N183 VanDerWaalsContact CA-O 3.28Å; R178-N183 WeakPolarHBondContact CA-O 3.43Å; R178-V210 HydrophobicContact CG-CG1 4.48Å | ||
| 179 | D | 91.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | trans | -72.5 | 174.2 | 175.2 | 67.9 | 19.8 | 0 | 0 | 0 | 112.7 | M150 M154 F181 G182 N183 W188 | M150-D179 HydrophobicContact CG-CB 4.14Å; M150-D179 HydrophobicContact SD-CB 3.69Å; M154-D179 HydrophobicContact SD-CB 4.06Å; D179-F181 PolarHBondContact O-N 3.19Å; D179-F181 VanDerWaalsContact OD1-CA 3.25Å; D179-F181 WeakPolarHBondContact OD1-CA 3.49Å; D179-F181 WeakPolarHBondContact OD1-CB 3.39Å; D179-F181 PolarHBondContact OD1-N 2.93Å; D179-G182 PolarHBondContact O-N 3.41Å; D179-G182 PolarHBondContact OD1-N 2.98Å; D179-N183 PolarHBondContact N-O 3.29Å; D179-N183 PolarHBondContact OD1-N 2.74Å; D179-N183 PolarHBondContact OD1-ND2 3.24Å; D179-N183 VanDerWaalsContact OD1-ND2 3.12Å; D179-N183 WeakPolarHBondContact OD2-CB 3.48Å; D179-N183 PolarHBondContact OD2-ND2 3.26Å; D179-W188 WeakPolarHBondContact OD2-CZ2 3.33Å; D179-W188 PolarHBondContact OD2-NE1 3.48Å | ||
| 180 | R | 90.3 | Very high | 92.2 | Very high | 173 Ų | 173 | 52 Ų | 52 | 65% | 0.653 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -9.7 | 174.9 | -77.2 | -173.1 | -168.2 | -161 | 9.9 | 114.5 | E147 H148 | E147-R180 PolarHBondContact O-NE 3.31Å; E147-R180 PolarHBondContact O-NH2 3.03Å; H148-R180 WeakPolarHBondContact O-CG 3.42Å; H148-R180 PolarHBondContact O-N 3.16Å |
| 181 | F | 87.9 | Confident | 92.2 | Very high | 117 Ų | 117 | 48.9 Ų | 48.9 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 11.3 | 175.5 | -46.4 | -75.6 | 0 | 0 | 0 | 113.3 | D179 N183 M213 | D179-F181 PolarHBondContact O-N 3.19Å; D179-F181 VanDerWaalsContact OD1-CA 3.25Å; D179-F181 WeakPolarHBondContact OD1-CA 3.49Å; D179-F181 WeakPolarHBondContact OD1-CB 3.39Å; D179-F181 PolarHBondContact OD1-N 2.93Å; F181-N183 VanDerWaalsContact C-N 3.33Å; F181-N183 PolarHBondContact O-N 3.06Å; F181-M213 HydrophobicContact CB-CB 4.12Å; F181-M213 HydrophobicContact CB-CE 4.08Å; F181-M213 HydrophobicContact CB-CG 4.46Å; F181-M213 HydrophobicContact CD1-CE 3.53Å; F181-M213 HydrophobicContact CD2-CE 4.08Å; F181-M213 HydrophobicContact CE1-CE 3.87Å; F181-M213 HydrophobicContact CE2-CE 4.39Å; F181-M213 HydrophobicContact CG-CE 3.63Å; F181-M213 HydrophobicContact CZ-CE 4.29Å; F181-M213 PolarHBondContact O-N 3.19Å |
| 182 | G | 88.9 | Confident | 92.1 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 79.9 | 3.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D179 V210 | D179-G182 PolarHBondContact O-N 3.41Å; D179-G182 PolarHBondContact OD1-N 2.98Å; G182-V210 VanDerWaalsContact O-CG1 3.26Å; G182-V210 WeakPolarHBondContact O-CG1 3.36Å |
| 183 | N | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -81.8 | 136.5 | -175.9 | -41.5 | -59.7 | 0 | 0 | 0 | 111.5 | R178 D179 F181 I187 R191 G212 M213 | R178-N183 VanDerWaalsContact CA-O 3.28Å; R178-N183 WeakPolarHBondContact CA-O 3.43Å; D179-N183 PolarHBondContact N-O 3.29Å; D179-N183 PolarHBondContact OD1-N 2.74Å; D179-N183 PolarHBondContact OD1-ND2 3.24Å; D179-N183 VanDerWaalsContact OD1-ND2 3.12Å; D179-N183 WeakPolarHBondContact OD2-CB 3.48Å; D179-N183 PolarHBondContact OD2-ND2 3.26Å; F181-N183 VanDerWaalsContact C-N 3.33Å; F181-N183 PolarHBondContact O-N 3.06Å; N183-I187 HydrophobicContact CB-CB 4.09Å; N183-I187 HydrophobicContact CB-CD1 4.28Å; N183-I187 HydrophobicContact CB-CG2 3.68Å; N183-R191 PolarHBondContact ND2-NH1 2.72Å; N183-R191 PolarHBondContact OD1-NH1 2.72Å; N183-R191 PolarHBondContact OD1-NH2 3.2Å; N183-G212 VanDerWaalsContact OD1-CA 3.24Å; N183-G212 WeakPolarHBondContact OD1-CA 3.36Å; N183-M213 PolarHBondContact OD1-N 3.49Å | ||
| 184 | N | 92.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -92.2 | 174.8 | 166.1 | 69.5 | -2.8 | 0 | 0 | 0 | 111.7 | I177 L186 I187 W188 S206 N207 V210 | I177-N184 WeakPolarHBondContact O-CA 3.45Å; N184-L186 PolarHBondContact O-N 3.1Å; N184-L186 PolarHBondContact OD1-N 3.31Å; N184-I187 PolarHBondContact O-N 3.31Å; N184-I187 WeakPolarHBondContact OD1-CG1 3.48Å; N184-I187 PolarHBondContact OD1-N 3.32Å; N184-W188 PolarHBondContact O-N 3.38Å; N184-S206 PolarHBondContact ND2-OG 2.86Å; N184-N207 PolarHBondContact ND2-O 3.31Å; N184-N207 VanDerWaalsContact ND2-O 3.08Å; N184-V210 HydrophobicContact CB-CG1 4.33Å; N184-V210 HydrophobicContact CB-CG2 4.49Å; N184-V210 WeakPolarHBondContact ND2-CG2 3.24Å | ||
| 185 | S | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.6 | -31.6 | 177.3 | -50.4 | 0 | 0 | 0 | 0 | 113.3 | M154 S157 W188 A189 | M154-S185 WeakPolarHBondContact CG-OG 3.18Å; S157-S185 WeakPolarHBondContact CB-O 3.27Å; S185-W188 PolarHBondContact O-N 3.07Å; S185-A189 WeakPolarHBondContact O-CB 3.29Å; S185-A189 PolarHBondContact O-N 3.23Å |
| 186 | L | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69 | -43.2 | 178.9 | 178 | 66.7 | 0 | 0 | 0 | 111.9 | N184 W188 A189 C190 V198 L201 L202 S206 A208 A218 | N184-L186 PolarHBondContact O-N 3.1Å; N184-L186 PolarHBondContact OD1-N 3.31Å; L186-W188 VanDerWaalsContact C-N 3.28Å; L186-W188 PolarHBondContact O-N 2.87Å; L186-A189 WeakPolarHBondContact O-CB 3.45Å; L186-A189 PolarHBondContact O-N 2.98Å; L186-C190 PolarHBondContact O-N 3.22Å; L186-C190 PolarHBondContact O-SG 2.91Å; L186-V198 HydrophobicContact CD1-CB 4.23Å; L186-V198 HydrophobicContact CD1-CG1 3.95Å; L186-V198 HydrophobicContact CD1-CG2 4.07Å; L186-L201 HydrophobicContact CB-CD1 4.27Å; L186-L201 HydrophobicContact CD1-CB 4.33Å; L186-L201 HydrophobicContact CD1-CD1 4.48Å; L186-L202 HydrophobicContact CD1-CD2 4.41Å; L186-L202 HydrophobicContact CD1-CG 4.18Å; L186-L202 HydrophobicContact CD2-CD2 3.88Å; L186-S206 WeakPolarHBondContact CB-OG 3.25Å; L186-A208 HydrophobicContact CD2-CB 4.3Å; L186-A218 HydrophobicContact CD2-CB 3.8Å; L186-A218 HydrophobicContact CG-CB 3.96Å |
| 187 | I | 93.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -42.4 | 172.3 | -75.9 | 158.6 | 0 | 0 | 0 | 111.1 | N183 N184 C190 R191 V210 L221 | N183-I187 HydrophobicContact CB-CB 4.09Å; N183-I187 HydrophobicContact CB-CD1 4.28Å; N183-I187 HydrophobicContact CB-CG2 3.68Å; N184-I187 PolarHBondContact O-N 3.31Å; N184-I187 WeakPolarHBondContact OD1-CG1 3.48Å; N184-I187 PolarHBondContact OD1-N 3.32Å; I187-C190 PolarHBondContact O-N 3.39Å; I187-R191 VanDerWaalsContact CG2-CZ 3.48Å; I187-R191 WeakPolarHBondContact O-CG 3.46Å; I187-R191 PolarHBondContact O-N 3.27Å; I187-V210 HydrophobicContact CD1-CB 4.04Å; I187-V210 HydrophobicContact CD1-CG1 3.73Å; I187-V210 WeakPolarHBondContact CD1-O 3.3Å; I187-L221 HydrophobicContact CB-CD1 4.29Å; I187-L221 HydrophobicContact CG1-CD1 4.33Å; I187-L221 HydrophobicContact CG2-CD1 3.76Å |
| 188 | W | 93.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 44.6 Ų | 44.6 | 24% | 0.235 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.9 | -78.4 | 113.1 | 0 | 0 | 0 | 112.5 | M150 A158 D179 N184 S185 L186 R191 R192 | M150-W188 HydrophobicContact CE-CD2 4.5Å; M150-W188 HydrophobicContact CE-CZ2 4.2Å; M150-W188 HydrophobicContact SD-CZ2 4.08Å; M150-W188 PolarHBondContact SD-NE1 3.48Å; A158-W188 HydrophobicContact CB-CB 4.04Å; A158-W188 HydrophobicContact CB-CD2 3.92Å; A158-W188 HydrophobicContact CB-CE3 3.65Å; A158-W188 HydrophobicContact CB-CG 4.12Å; A158-W188 HydrophobicContact CB-CZ3 4.38Å; D179-W188 WeakPolarHBondContact OD2-CZ2 3.33Å; D179-W188 PolarHBondContact OD2-NE1 3.48Å; N184-W188 PolarHBondContact O-N 3.38Å; S185-W188 PolarHBondContact O-N 3.07Å; L186-W188 VanDerWaalsContact C-N 3.28Å; L186-W188 PolarHBondContact O-N 2.87Å; W188-R191 PolarHBondContact O-N 3.04Å; W188-R192 WeakPolarHBondContact O-CB 3.45Å; W188-R192 PolarHBondContact O-N 3Å |
| 189 | A | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S185 L186 R192 N193 N194 I197 V198 L201 | S185-A189 WeakPolarHBondContact O-CB 3.29Å; S185-A189 PolarHBondContact O-N 3.23Å; L186-A189 WeakPolarHBondContact O-CB 3.45Å; L186-A189 PolarHBondContact O-N 2.98Å; A189-R192 CarbonylContact O-C 3.59Å; A189-R192 PolarHBondContact O-N 3.33Å; A189-N193 PolarHBondContact O-N 2.75Å; A189-N193 VanDerWaalsContact O-N 3.11Å; A189-N194 PolarHBondContact O-N 3.2Å; A189-N194 VanDerWaalsContact O-N 3.12Å; A189-I197 HydrophobicContact CB-CB 4.16Å; A189-I197 HydrophobicContact CB-CG2 3.42Å; A189-I197 VanDerWaalsContact CB-CG2 3.42Å; A189-V198 HydrophobicContact CB-CG2 3.82Å; A189-L201 HydrophobicContact CB-CD1 3.87Å |
| 190 | C | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 175 | -67 | 0 | 0 | 0 | 0 | 111.7 | L186 I187 R192 N193 L221 M230 | L186-C190 PolarHBondContact O-N 3.22Å; L186-C190 PolarHBondContact O-SG 2.91Å; I187-C190 PolarHBondContact O-N 3.39Å; C190-R192 PolarHBondContact O-N 2.95Å; C190-N193 WeakPolarHBondContact O-CA 3.38Å; C190-N193 PolarHBondContact O-N 2.95Å; C190-L221 HydrophobicContact CB-CB 3.75Å; C190-L221 HydrophobicContact CB-CD1 4.21Å; C190-M230 HydrophobicContact CB-SD 4Å |
| 191 | R | 91.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 34.2 Ų | 34.2 | 29% | 0.291 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.1 | -31.8 | 172.4 | -76.3 | 178.2 | -174.1 | 147.9 | 8.2 | 112.8 | N183 I187 W188 N193 L221 | N183-R191 PolarHBondContact ND2-NH1 2.72Å; N183-R191 PolarHBondContact OD1-NH1 2.72Å; N183-R191 PolarHBondContact OD1-NH2 3.2Å; I187-R191 VanDerWaalsContact CG2-CZ 3.48Å; I187-R191 WeakPolarHBondContact O-CG 3.46Å; I187-R191 PolarHBondContact O-N 3.27Å; W188-R191 PolarHBondContact O-N 3.04Å; R191-N193 VanDerWaalsContact C-N 3.28Å; R191-L221 HydrophobicContact CG-CD1 4.04Å; R191-L221 HydrophobicContact CG-CD2 3.83Å |
| 192 | R | 92 | Very high | 93.4 | Very high | 153 Ų | 153 | 28.9 Ų | 28.9 | 58% | 0.577 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.2 | 175.2 | -165.4 | 51.8 | 169.1 | 161 | -0.7 | 113.4 | A158 R159 W188 A189 C190 N194 | A158-R192 WeakPolarHBondContact O-CD 3.38Å; A158-R192 WeakPolarHBondContact O-CG 3.44Å; R159-R192 PolarHBondContact O-NE 2.87Å; R159-R192 PolarHBondContact O-NH2 2.96Å; R159-R192 VanDerWaalsContact O-NH2 3.16Å; W188-R192 WeakPolarHBondContact O-CB 3.45Å; W188-R192 PolarHBondContact O-N 3Å; A189-R192 CarbonylContact O-C 3.59Å; A189-R192 PolarHBondContact O-N 3.33Å; C190-R192 PolarHBondContact O-N 2.95Å; R192-N194 PolarHBondContact O-N 3.15Å |
| 193 | N | 92.4 | Very high | 93.6 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 39% | 0.385 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 31.9 | -176 | -158.8 | 17.5 | 0 | 0 | 0 | 114.2 | A189 C190 R191 N227 M230 | A189-N193 PolarHBondContact O-N 2.75Å; A189-N193 VanDerWaalsContact O-N 3.11Å; C190-N193 WeakPolarHBondContact O-CA 3.38Å; C190-N193 PolarHBondContact O-N 2.95Å; R191-N193 VanDerWaalsContact C-N 3.28Å; N193-N227 WeakPolarHBondContact OD1-CB 3.28Å; N193-N227 PolarHBondContact OD1-ND2 3.24Å; N193-M230 VanDerWaalsContact C-CE 3.41Å |
| 194 | N | 94 | Very high | 93.5 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | trans | -98.2 | 93.8 | -173.5 | -170.9 | -49.7 | 0 | 0 | 0 | 111.8 | G160 A189 R192 P196 I197 V198 | G160-N194 PolarHBondContact O-ND2 2.95Å; A189-N194 PolarHBondContact O-N 3.2Å; A189-N194 VanDerWaalsContact O-N 3.12Å; R192-N194 PolarHBondContact O-N 3.15Å; N194-P196 VanDerWaalsContact OD1-CD 3.31Å; N194-P196 WeakPolarHBondContact OD1-CD 3.44Å; N194-I197 HydrophobicContact CB-CB 4.33Å; N194-I197 HydrophobicContact CB-CD1 4.29Å; N194-I197 PolarHBondContact O-N 2.91Å; N194-I197 WeakPolarHBondContact OD1-CG1 3.05Å; N194-I197 PolarHBondContact OD1-N 2.86Å; N194-V198 WeakPolarHBondContact O-CG2 3.33Å; N194-V198 PolarHBondContact O-N 3.41Å | ||
| 195 | V | 93.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | -178.2 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | I197 V198 K199 N227 E229 M230 Q233 | V195-I197 VanDerWaalsContact C-N 3.31Å; V195-I197 PolarHBondContact O-N 3.38Å; V195-V198 PolarHBondContact O-N 3.31Å; V195-K199 WeakPolarHBondContact O-CB 3.4Å; V195-K199 PolarHBondContact O-N 3.39Å; V195-N227 WeakPolarHBondContact CG2-ND2 3.43Å; V195-E229 HydrophobicContact CG1-CB 4.41Å; V195-E229 HydrophobicContact CG1-CG 4.03Å; V195-M230 HydrophobicContact CG2-CB 4.18Å; V195-M230 HydrophobicContact CG2-CE 4.01Å; V195-Q233 HydrophobicContact CG1-CG 3.88Å |
| 196 | P | 95 | Very high | 93.3 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.9 | -42 | 174.2 | -30 | 36.4 | 0 | 0 | 0 | 114.3 | V162 N194 A200 | V162-P196 HydrophobicContact CG1-CB 3.91Å; V162-P196 HydrophobicContact CG2-CB 4.24Å; N194-P196 VanDerWaalsContact OD1-CD 3.31Å; N194-P196 WeakPolarHBondContact OD1-CD 3.44Å; P196-A200 PolarHBondContact O-N 3.21Å |
| 197 | I | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.6 | -44.7 | 177.7 | -69.9 | 173.1 | 0 | 0 | 0 | 111 | V162 V165 A189 N194 V195 K199 A200 L201 | V162-I197 HydrophobicContact CB-CG1 4.37Å; V162-I197 HydrophobicContact CG1-CG1 4.42Å; V162-I197 HydrophobicContact CG2-CD1 4.25Å; V162-I197 HydrophobicContact CG2-CG1 4.09Å; V165-I197 HydrophobicContact CB-CG1 4.38Å; V165-I197 HydrophobicContact CG1-CG2 4.23Å; V165-I197 HydrophobicContact CG2-CD1 3.99Å; V165-I197 HydrophobicContact CG2-CG1 4.15Å; V165-I197 HydrophobicContact CG2-CG2 4.12Å; A189-I197 HydrophobicContact CB-CB 4.16Å; A189-I197 HydrophobicContact CB-CG2 3.42Å; A189-I197 VanDerWaalsContact CB-CG2 3.42Å; N194-I197 HydrophobicContact CB-CB 4.33Å; N194-I197 HydrophobicContact CB-CD1 4.29Å; N194-I197 PolarHBondContact O-N 2.91Å; N194-I197 WeakPolarHBondContact OD1-CG1 3.05Å; N194-I197 PolarHBondContact OD1-N 2.86Å; V195-I197 VanDerWaalsContact C-N 3.31Å; V195-I197 PolarHBondContact O-N 3.38Å; I197-K199 PolarHBondContact O-N 3.26Å; I197-A200 PolarHBondContact O-N 2.93Å; I197-A200 VanDerWaalsContact O-N 3.1Å; I197-L201 HydrophobicContact CG2-CD1 3.67Å; I197-L201 HydrophobicContact CG2-CG 4.15Å; I197-L201 VanDerWaalsContact O-CG 3.3Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 3.2Å |
| 198 | V | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.6 | -45.1 | 173.8 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | L186 A189 N194 V195 A200 L201 L202 M230 I234 | L186-V198 HydrophobicContact CD1-CB 4.23Å; L186-V198 HydrophobicContact CD1-CG1 3.95Å; L186-V198 HydrophobicContact CD1-CG2 4.07Å; A189-V198 HydrophobicContact CB-CG2 3.82Å; N194-V198 WeakPolarHBondContact O-CG2 3.33Å; N194-V198 PolarHBondContact O-N 3.41Å; V195-V198 PolarHBondContact O-N 3.31Å; V198-A200 PolarHBondContact O-N 3.06Å; V198-L201 PolarHBondContact O-N 3.02Å; V198-L202 HydrophobicContact CG1-CD1 3.63Å; V198-L202 HydrophobicContact CG1-CG 4.37Å; V198-L202 WeakPolarHBondContact O-CB 3.35Å; V198-L202 VanDerWaalsContact O-CG 3.27Å; V198-L202 WeakPolarHBondContact O-CG 3.48Å; V198-L202 PolarHBondContact O-N 3.18Å; V198-M230 HydrophobicContact CG1-CG 4.25Å; V198-M230 HydrophobicContact CG2-CE 3.78Å; V198-M230 HydrophobicContact CG2-CG 4.32Å; V198-M230 HydrophobicContact CG2-SD 4.13Å; V198-I234 HydrophobicContact CG1-CG1 4.16Å |
| 199 | K | 94 | Very high | 92.7 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 37% | 0.365 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -35.3 | 177.8 | -167.5 | 170.5 | -168.2 | 141.4 | 0 | 113.3 | V195 I197 K203 Q233 | V195-K199 WeakPolarHBondContact O-CB 3.4Å; V195-K199 PolarHBondContact O-N 3.39Å; I197-K199 PolarHBondContact O-N 3.26Å; K199-K203 WeakPolarHBondContact O-CB 3.45Å; K199-K203 VanDerWaalsContact O-CG 3.29Å; K199-K203 WeakPolarHBondContact O-CG 3.34Å; K199-K203 PolarHBondContact O-N 3.32Å; K199-Q233 VanDerWaalsContact CD-OE1 3.25Å |
| 200 | A | 94 | Very high | 92.5 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -46.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V165 L169 P196 I197 V198 K203 A204 | V165-A200 HydrophobicContact CG1-CB 4.47Å; L169-A200 HydrophobicContact CD1-CB 4Å; P196-A200 PolarHBondContact O-N 3.21Å; I197-A200 PolarHBondContact O-N 2.93Å; I197-A200 VanDerWaalsContact O-N 3.1Å; V198-A200 PolarHBondContact O-N 3.06Å; A200-K203 WeakPolarHBondContact O-CB 3.19Å; A200-K203 PolarHBondContact O-N 3.08Å; A200-A204 PolarHBondContact O-N 3.49Å |
| 201 | L | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | -179.4 | -63.8 | 170.3 | 0 | 0 | 0 | 112.2 | L153 V165 L169 V175 L186 A189 I197 V198 K203 A204 G205 S206 | L153-L201 HydrophobicContact CD1-CD2 4.24Å; L153-L201 HydrophobicContact CD2-CD2 4.1Å; L153-L201 HydrophobicContact CG-CD2 4.34Å; V165-L201 HydrophobicContact CG1-CD2 4.38Å; L169-L201 HydrophobicContact CD1-CD2 4.21Å; L169-L201 HydrophobicContact CD2-CD2 4.24Å; V175-L201 HydrophobicContact CG1-CB 4.32Å; V175-L201 HydrophobicContact CG1-CD2 3.71Å; L186-L201 HydrophobicContact CB-CD1 4.27Å; L186-L201 HydrophobicContact CD1-CB 4.33Å; L186-L201 HydrophobicContact CD1-CD1 4.48Å; A189-L201 HydrophobicContact CB-CD1 3.87Å; I197-L201 HydrophobicContact CG2-CD1 3.67Å; I197-L201 HydrophobicContact CG2-CG 4.15Å; I197-L201 VanDerWaalsContact O-CG 3.3Å; I197-L201 WeakPolarHBondContact O-CG 3.45Å; I197-L201 PolarHBondContact O-N 3.2Å; V198-L201 PolarHBondContact O-N 3.02Å; L201-K203 VanDerWaalsContact C-N 3.33Å; L201-K203 PolarHBondContact O-N 3.32Å; L201-A204 CarbonylContact O-C 3.52Å; L201-A204 PolarHBondContact O-N 3.4Å; L201-G205 PolarHBondContact O-N 3.28Å; L201-S206 WeakPolarHBondContact O-CB 3.5Å; L201-S206 PolarHBondContact O-N 3.38Å |
| 202 | L | 93.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.5 | -29.4 | 175.5 | -69.7 | 169.4 | 0 | 0 | 0 | 112.9 | L186 V198 Q233 I234 K237 | L186-L202 HydrophobicContact CD1-CD2 4.41Å; L186-L202 HydrophobicContact CD1-CG 4.18Å; L186-L202 HydrophobicContact CD2-CD2 3.88Å; V198-L202 HydrophobicContact CG1-CD1 3.63Å; V198-L202 HydrophobicContact CG1-CG 4.37Å; V198-L202 WeakPolarHBondContact O-CB 3.35Å; V198-L202 VanDerWaalsContact O-CG 3.27Å; V198-L202 WeakPolarHBondContact O-CG 3.48Å; V198-L202 PolarHBondContact O-N 3.18Å; L202-Q233 HydrophobicContact CD1-CB 4.38Å; L202-Q233 WeakPolarHBondContact CD1-O 3.32Å; L202-I234 HydrophobicContact CD1-CG1 4.05Å; L202-K237 HydrophobicContact CD2-CG 4.29Å; L202-K237 VanDerWaalsContact O-CE 3.24Å; L202-K237 WeakPolarHBondContact O-CE 3.26Å |
| 203 | K | 92.2 | Very high | 91.8 | Very high | 168 Ų | 168 | 41.5 Ų | 41.5 | 73% | 0.73 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68.3 | -40.8 | 169.1 | -82.1 | 179.8 | 172.6 | -167.4 | 0 | 111.8 | K199 A200 L201 G205 | K199-K203 WeakPolarHBondContact O-CB 3.45Å; K199-K203 VanDerWaalsContact O-CG 3.29Å; K199-K203 WeakPolarHBondContact O-CG 3.34Å; K199-K203 PolarHBondContact O-N 3.32Å; A200-K203 WeakPolarHBondContact O-CB 3.19Å; A200-K203 PolarHBondContact O-N 3.08Å; L201-K203 VanDerWaalsContact C-N 3.33Å; L201-K203 PolarHBondContact O-N 3.32Å; K203-G205 PolarHBondContact O-N 3.38Å |
| 204 | A | 91.6 | Very high | 91.4 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 41% | 0.405 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 11.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L169 V175 A200 L201 | L169-A204 HydrophobicContact CD1-CB 4.19Å; L169-A204 HydrophobicContact CD2-CB 3.81Å; V175-A204 HydrophobicContact CG2-CB 3.93Å; A200-A204 PolarHBondContact O-N 3.49Å; L201-A204 CarbonylContact O-C 3.52Å; L201-A204 PolarHBondContact O-N 3.4Å |
| 205 | G | 89.3 | Confident | 91 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 17.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L201 K203 N207 | L201-G205 PolarHBondContact O-N 3.28Å; K203-G205 PolarHBondContact O-N 3.38Å; G205-N207 PolarHBondContact O-N 2.9Å |
| 206 | S | 91.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | trans | -57.7 | 126.9 | 175.9 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | N184 L186 L201 A208 | N184-S206 PolarHBondContact ND2-OG 2.86Å; L186-S206 WeakPolarHBondContact CB-OG 3.25Å; L201-S206 WeakPolarHBondContact O-CB 3.5Å; L201-S206 PolarHBondContact O-N 3.38Å; S206-A208 PolarHBondContact O-N 2.69Å | ||
| 207 | N | 89.6 | Confident | 90.7 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | trans | -68 | 127.7 | 169.7 | -173.1 | -18.9 | 0 | 0 | 0 | 110.3 | N184 G205 D209 V210 | N184-N207 PolarHBondContact ND2-O 3.31Å; N184-N207 VanDerWaalsContact ND2-O 3.08Å; G205-N207 PolarHBondContact O-N 2.9Å; N207-D209 WeakPolarHBondContact OD1-CB 3.33Å; N207-D209 PolarHBondContact OD1-N 3.42Å; N207-V210 HydrophobicContact CB-CG2 4.19Å | ||
| 208 | A | 89 | Confident | 90.5 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -82.8 | -21.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L186 S206 V210 A218 I234 C239 | L186-A208 HydrophobicContact CD2-CB 4.3Å; S206-A208 PolarHBondContact O-N 2.69Å; A208-V210 VanDerWaalsContact C-N 3.27Å; A208-V210 PolarHBondContact O-N 3.35Å; A208-A218 HydrophobicContact CB-CB 4.48Å; A208-A218 PolarHBondContact O-N 3.46Å; A208-I234 HydrophobicContact CB-CG2 4.23Å; A208-C239 HydrophobicContact CB-CB 3.86Å |
| 209 | D | 90.6 | Very high | 90.5 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | trans | -90 | 8 | -171.2 | -52.3 | -27.7 | 0 | 0 | 0 | 112.3 | N207 V211 C239 E240 | N207-D209 WeakPolarHBondContact OD1-CB 3.33Å; N207-D209 PolarHBondContact OD1-N 3.42Å; D209-V211 PolarHBondContact O-N 2.94Å; D209-C239 WeakPolarHBondContact OD1-CA 3.27Å; D209-C239 WeakPolarHBondContact OD1-CB 3.39Å; D209-E240 PolarHBondContact OD1-N 3.03Å | ||
| 210 | V | 90.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | trans | -61.8 | 121.9 | 171 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | R178 G182 N184 I187 N207 A208 G212 T217 | R178-V210 HydrophobicContact CG-CG1 4.48Å; G182-V210 VanDerWaalsContact O-CG1 3.26Å; G182-V210 WeakPolarHBondContact O-CG1 3.36Å; N184-V210 HydrophobicContact CB-CG1 4.33Å; N184-V210 HydrophobicContact CB-CG2 4.49Å; N184-V210 WeakPolarHBondContact ND2-CG2 3.24Å; I187-V210 HydrophobicContact CD1-CB 4.04Å; I187-V210 HydrophobicContact CD1-CG1 3.73Å; I187-V210 WeakPolarHBondContact CD1-O 3.3Å; N207-V210 HydrophobicContact CB-CG2 4.19Å; A208-V210 VanDerWaalsContact C-N 3.27Å; A208-V210 PolarHBondContact O-N 3.35Å; V210-G212 PolarHBondContact O-N 2.95Å; V210-T217 WeakPolarHBondContact O-CA 3.25Å | ||
| 211 | V | 89.5 | Confident | 90.3 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 47% | 0.473 | 21% | 0.209 | S | C | . | . | trans | -87.5 | 106.7 | 176 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | D209 T217 | D209-V211 PolarHBondContact O-N 2.94Å; V211-T217 HydrophobicContact CG2-CG2 4.1Å | ||
| 212 | G | 87.2 | Confident | 90.2 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -86.4 | -174.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N183 V210 K214 G215 L216 | N183-G212 VanDerWaalsContact OD1-CA 3.24Å; N183-G212 WeakPolarHBondContact OD1-CA 3.36Å; V210-G212 PolarHBondContact O-N 2.95Å; G212-K214 PolarHBondContact O-N 2.86Å; G212-G215 PolarHBondContact O-N 2.95Å; G212-L216 PolarHBondContact N-O 3.29Å; G212-L216 PolarHBondContact O-N 3.24Å |
| 213 | M | 86.1 | Confident | 90.2 | Very high | 76 Ų | 76 | 36.2 Ų | 36.2 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 130.9 | 176.9 | -164.2 | -155.2 | -81.7 | 0 | 0 | 112.2 | F181 N183 | F181-M213 HydrophobicContact CB-CB 4.12Å; F181-M213 HydrophobicContact CB-CE 4.08Å; F181-M213 HydrophobicContact CB-CG 4.46Å; F181-M213 HydrophobicContact CD1-CE 3.53Å; F181-M213 HydrophobicContact CD2-CE 4.08Å; F181-M213 HydrophobicContact CE1-CE 3.87Å; F181-M213 HydrophobicContact CE2-CE 4.39Å; F181-M213 HydrophobicContact CG-CE 3.63Å; F181-M213 HydrophobicContact CZ-CE 4.29Å; F181-M213 PolarHBondContact O-N 3.19Å; N183-M213 PolarHBondContact OD1-N 3.49Å |
| 214 | K | 84 | Confident | 90.1 | Very high | 126 Ų | 126 | 33 Ų | 33 | 55% | 0.548 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 26.5 | -177.3 | -48.9 | -168.7 | 179.8 | -173 | 0 | 115.4 | G212 L216 H246 | G212-K214 PolarHBondContact O-N 2.86Å; K214-L216 VanDerWaalsContact C-N 3.32Å; K214-L216 HydrophobicContact CB-CD1 4.31Å; K214-L216 HydrophobicContact CB-CG 4.44Å; K214-H246 HydrophobicContact CB-CB 4.28Å; K214-H246 WeakPolarHBondContact O-CB 3.49Å; K214-H246 PolarHBondContact O-N 2.92Å; K214-H246 PolarHBondContact O-ND1 2.94Å; K214-H246 VanDerWaalsContact O-ND1 3.11Å |
| 215 | G | 84.8 | Confident | 90 | Very high | 21 Ų | 21 | 33 Ų | 33 | 22% | 0.216 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 19.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G212 L220 | G212-G215 PolarHBondContact O-N 2.95Å; G215-L220 VanDerWaalsContact O-CD1 3.29Å; G215-L220 WeakPolarHBondContact O-CD1 3.38Å |
| 216 | L | 90.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -95.5 | 108.3 | -168.7 | -68.6 | 171.6 | 0 | 0 | 0 | 111.4 | G212 K214 L220 L221 D245 | G212-L216 PolarHBondContact N-O 3.29Å; G212-L216 PolarHBondContact O-N 3.24Å; K214-L216 VanDerWaalsContact C-N 3.32Å; K214-L216 HydrophobicContact CB-CD1 4.31Å; K214-L216 HydrophobicContact CB-CG 4.44Å; L216-L220 HydrophobicContact CD2-CB 4.07Å; L216-L221 HydrophobicContact CB-CD1 4.36Å; L216-L221 HydrophobicContact CB-CD2 4.35Å; L216-L221 HydrophobicContact CB-CG 4.13Å; L216-L221 HydrophobicContact CD1-CD2 4.08Å; L216-D245 HydrophobicContact CD2-CB 3.7Å; L216-D245 HydrophobicContact CG-CB 4.5Å |
| 217 | T | 91.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | trans | -76.5 | 170.9 | 167.3 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | V210 V211 L219 L220 L221 A243 | V210-T217 WeakPolarHBondContact O-CA 3.25Å; V211-T217 HydrophobicContact CG2-CG2 4.1Å; T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 2.74Å; T217-L220 HydrophobicContact CG2-CD1 4.42Å; T217-L220 PolarHBondContact O-N 3.12Å; T217-L220 WeakPolarHBondContact OG1-CG 3.26Å; T217-L220 PolarHBondContact OG1-N 2.86Å; T217-L221 WeakPolarHBondContact O-CG 3.09Å; T217-L221 PolarHBondContact O-N 2.89Å; T217-L221 VanDerWaalsContact O-N 3.09Å; T217-A243 HydrophobicContact CG2-CB 3.78Å | ||
| 218 | A | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L186 A208 L221 A222 I234 | L186-A218 HydrophobicContact CD2-CB 3.8Å; L186-A218 HydrophobicContact CG-CB 3.96Å; A208-A218 HydrophobicContact CB-CB 4.48Å; A208-A218 PolarHBondContact O-N 3.46Å; A218-L221 PolarHBondContact O-N 3.46Å; A218-A222 PolarHBondContact O-N 2.8Å; A218-I234 HydrophobicContact CB-CD1 4.12Å |
| 219 | L | 93.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.1 | -40.3 | 179.3 | -172.7 | 65.7 | 0 | 0 | 0 | 112.3 | T217 L221 A222 T223 V231 I234 L235 L241 A251 L267 | T217-L219 VanDerWaalsContact C-N 3.3Å; T217-L219 PolarHBondContact O-N 2.74Å; L219-L221 VanDerWaalsContact C-N 3.26Å; L219-L221 PolarHBondContact O-N 3.48Å; L219-A222 PolarHBondContact O-N 3.49Å; L219-T223 WeakPolarHBondContact O-CG2 3.24Å; L219-T223 PolarHBondContact O-N 3.34Å; L219-T223 PolarHBondContact O-OG1 2.89Å; L219-V231 HydrophobicContact CD1-CG1 4.19Å; L219-I234 HydrophobicContact CB-CG2 4.31Å; L219-I234 HydrophobicContact CD1-CG2 4.15Å; L219-L235 HydrophobicContact CD1-CD2 4.22Å; L219-L235 HydrophobicContact CD1-CG 4.42Å; L219-L241 HydrophobicContact CD2-CD2 3.94Å; L219-A251 HydrophobicContact CD2-CB 3.79Å; L219-A251 HydrophobicContact CG-CB 3.86Å; L219-L267 HydrophobicContact CD1-CD2 4.24Å; L219-L267 HydrophobicContact CD2-CD2 4.32Å |
| 220 | L | 92 | Very high | 90.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -32.4 | 173.9 | -74.9 | 171 | 0 | 0 | 0 | 112.3 | G215 L216 T217 T223 K224 A243 D245 Y249 T250 N254 | G215-L220 VanDerWaalsContact O-CD1 3.29Å; G215-L220 WeakPolarHBondContact O-CD1 3.38Å; L216-L220 HydrophobicContact CD2-CB 4.07Å; T217-L220 HydrophobicContact CG2-CD1 4.42Å; T217-L220 PolarHBondContact O-N 3.12Å; T217-L220 WeakPolarHBondContact OG1-CG 3.26Å; T217-L220 PolarHBondContact OG1-N 2.86Å; L220-T223 WeakPolarHBondContact CA-OG1 3.44Å; L220-T223 PolarHBondContact O-OG1 3.07Å; L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 PolarHBondContact O-N 3.32Å; L220-K224 VanDerWaalsContact O-N 3.14Å; L220-A243 HydrophobicContact CD1-CB 4.46Å; L220-D245 HydrophobicContact CD1-CB 4.25Å; L220-Y249 WeakPolarHBondContact CD2-O 3.46Å; L220-T250 VanDerWaalsContact CD2-C 3.47Å; L220-N254 WeakPolarHBondContact CD2-ND2 3.09Å |
| 221 | L | 92.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75 | -44.4 | 174.4 | -74 | 162.1 | 0 | 0 | 0 | 112.4 | I187 C190 R191 L216 T217 A218 L219 K224 C225 | I187-L221 HydrophobicContact CB-CD1 4.29Å; I187-L221 HydrophobicContact CG1-CD1 4.33Å; I187-L221 HydrophobicContact CG2-CD1 3.76Å; C190-L221 HydrophobicContact CB-CB 3.75Å; C190-L221 HydrophobicContact CB-CD1 4.21Å; R191-L221 HydrophobicContact CG-CD1 4.04Å; R191-L221 HydrophobicContact CG-CD2 3.83Å; L216-L221 HydrophobicContact CB-CD1 4.36Å; L216-L221 HydrophobicContact CB-CD2 4.35Å; L216-L221 HydrophobicContact CB-CG 4.13Å; L216-L221 HydrophobicContact CD1-CD2 4.08Å; T217-L221 WeakPolarHBondContact O-CG 3.09Å; T217-L221 PolarHBondContact O-N 2.89Å; T217-L221 VanDerWaalsContact O-N 3.09Å; A218-L221 PolarHBondContact O-N 3.46Å; L219-L221 VanDerWaalsContact C-N 3.26Å; L219-L221 PolarHBondContact O-N 3.48Å; L221-K224 PolarHBondContact O-N 3.32Å; L221-C225 WeakPolarHBondContact O-CB 3.39Å; L221-C225 PolarHBondContact O-N 3.14Å; L221-C225 PolarHBondContact O-SG 2.98Å |
| 222 | A | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A218 L219 C225 N226 N227 M230 V231 I234 | A218-A222 PolarHBondContact O-N 2.8Å; L219-A222 PolarHBondContact O-N 3.49Å; A222-C225 PolarHBondContact O-N 3.22Å; A222-N226 PolarHBondContact O-N 3.09Å; A222-N227 PolarHBondContact O-N 3.34Å; A222-M230 HydrophobicContact CB-CB 4.07Å; A222-M230 HydrophobicContact CB-CG 3.65Å; A222-M230 HydrophobicContact CB-SD 3.87Å; A222-V231 HydrophobicContact CB-CG2 3.72Å; A222-I234 HydrophobicContact CB-CD1 3.64Å |
| 223 | T | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 174 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | L219 L220 C225 N226 V231 A251 N258 M263 L267 | L219-T223 WeakPolarHBondContact O-CG2 3.24Å; L219-T223 PolarHBondContact O-N 3.34Å; L219-T223 PolarHBondContact O-OG1 2.89Å; L220-T223 WeakPolarHBondContact CA-OG1 3.44Å; L220-T223 PolarHBondContact O-OG1 3.07Å; T223-C225 VanDerWaalsContact C-N 3.27Å; T223-C225 PolarHBondContact O-N 3.32Å; T223-N226 WeakPolarHBondContact O-CA 3.49Å; T223-N226 PolarHBondContact O-N 3.39Å; T223-V231 HydrophobicContact CG2-CG2 3.83Å; T223-A251 HydrophobicContact CG2-CB 4.06Å; T223-N258 PolarHBondContact O-ND2 2.89Å; T223-M263 HydrophobicContact CG2-SD 3.91Å; T223-L267 HydrophobicContact CG2-CD1 3.96Å |
| 224 | K | 90.7 | Very high | 91.3 | Very high | 101 Ų | 101 | 32 Ų | 32 | 44% | 0.439 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.1 | -25.9 | 175.7 | -176.2 | 174 | 178.8 | 178.4 | 0 | 114 | L220 L221 N226 | L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 PolarHBondContact O-N 3.32Å; L220-K224 VanDerWaalsContact O-N 3.14Å; L221-K224 PolarHBondContact O-N 3.32Å; K224-N226 VanDerWaalsContact C-N 3.29Å |
| 225 | C | 88.8 | Confident | 91.7 | Very high | 49 Ų | 49 | 28 Ų | 28 | 33% | 0.331 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.6 | 171.7 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | L221 A222 T223 N227 | L221-C225 WeakPolarHBondContact O-CB 3.39Å; L221-C225 PolarHBondContact O-N 3.14Å; L221-C225 PolarHBondContact O-SG 2.98Å; A222-C225 PolarHBondContact O-N 3.22Å; T223-C225 VanDerWaalsContact C-N 3.27Å; T223-C225 PolarHBondContact O-N 3.32Å; C225-N227 PolarHBondContact O-N 3.36Å |
| 226 | N | 91.3 | Very high | 91.9 | Very high | 70 Ų | 70 | 31.4 Ų | 31.4 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 32.6 | -176 | -158.2 | 23.7 | 0 | 0 | 0 | 114.5 | A222 T223 K224 N258 N260 | A222-N226 PolarHBondContact O-N 3.09Å; T223-N226 WeakPolarHBondContact O-CA 3.49Å; T223-N226 PolarHBondContact O-N 3.39Å; K224-N226 VanDerWaalsContact C-N 3.29Å; N226-N258 HydrophobicContact CB-CB 4.49Å; N226-N258 WeakPolarHBondContact CB-ND2 3.49Å; N226-N258 PolarHBondContact OD1-ND2 3.16Å; N226-N260 WeakPolarHBondContact OD1-CB 3.48Å; N226-N260 PolarHBondContact OD1-ND2 2.82Å |
| 227 | N | 92.6 | Very high | 91.6 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | trans | -97.7 | 101.7 | -177.8 | -174.4 | -20.3 | 0 | 0 | 0 | 111.5 | N193 V195 A222 C225 E229 M230 V231 | N193-N227 WeakPolarHBondContact OD1-CB 3.28Å; N193-N227 PolarHBondContact OD1-ND2 3.24Å; V195-N227 WeakPolarHBondContact CG2-ND2 3.43Å; A222-N227 PolarHBondContact O-N 3.34Å; C225-N227 PolarHBondContact O-N 3.36Å; N227-E229 PolarHBondContact OD1-N 3.38Å; N227-E229 VanDerWaalsContact OD1-N 3.08Å; N227-M230 HydrophobicContact CB-CB 3.85Å; N227-M230 PolarHBondContact O-N 3.36Å; N227-M230 PolarHBondContact OD1-N 3.37Å; N227-V231 WeakPolarHBondContact O-CG2 3.45Å; N227-V231 PolarHBondContact O-N 3.39Å | ||
| 228 | M | 91.5 | Very high | 91.2 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 177.6 | -77.2 | -63.2 | -74.8 | 0 | 0 | 113.5 | M230 V231 I232 E262 M263 K266 | M228-M230 VanDerWaalsContact C-N 3.29Å; M228-M230 PolarHBondContact O-N 3.41Å; M228-V231 PolarHBondContact O-N 3.08Å; M228-I232 WeakPolarHBondContact O-CB 3.44Å; M228-I232 VanDerWaalsContact O-CG1 3.26Å; M228-I232 WeakPolarHBondContact O-CG1 3.24Å; M228-I232 PolarHBondContact O-N 3.38Å; M228-E262 HydrophobicContact CE-CB 3.6Å; M228-E262 HydrophobicContact SD-CB 4.44Å; M228-M263 HydrophobicContact CG-CE 4.06Å; M228-M263 WeakPolarHBondContact SD-CA 3.16Å; M228-M263 HydrophobicContact SD-CB 3.43Å; M228-M263 WeakPolarHBondContact SD-CB 3.49Å; M228-M263 HydrophobicContact SD-CE 3.65Å; M228-M263 HydrophobicContact SD-CG 3.88Å; M228-K266 HydrophobicContact CE-CG 4.16Å |
| 229 | E | 92.7 | Very high | 90.9 | Very high | 104 Ų | 104 | 42.1 Ų | 42.1 | 49% | 0.486 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.1 | -40.3 | -179.4 | -161.9 | -164 | 165.7 | 0 | 0 | 110.5 | V195 N227 I232 Q233 | V195-E229 HydrophobicContact CG1-CB 4.41Å; V195-E229 HydrophobicContact CG1-CG 4.03Å; N227-E229 PolarHBondContact OD1-N 3.38Å; N227-E229 VanDerWaalsContact OD1-N 3.08Å; E229-I232 PolarHBondContact O-N 2.93Å; E229-Q233 WeakPolarHBondContact O-CG 3.43Å; E229-Q233 PolarHBondContact O-N 2.99Å |
| 230 | M | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 176.6 | -169.1 | 171.7 | -72 | 0 | 0 | 112.5 | C190 N193 V195 V198 A222 N227 M228 Q233 I234 | C190-M230 HydrophobicContact CB-SD 4Å; N193-M230 VanDerWaalsContact C-CE 3.41Å; V195-M230 HydrophobicContact CG2-CB 4.18Å; V195-M230 HydrophobicContact CG2-CE 4.01Å; V198-M230 HydrophobicContact CG1-CG 4.25Å; V198-M230 HydrophobicContact CG2-CE 3.78Å; V198-M230 HydrophobicContact CG2-CG 4.32Å; V198-M230 HydrophobicContact CG2-SD 4.13Å; A222-M230 HydrophobicContact CB-CB 4.07Å; A222-M230 HydrophobicContact CB-CG 3.65Å; A222-M230 HydrophobicContact CB-SD 3.87Å; N227-M230 HydrophobicContact CB-CB 3.85Å; N227-M230 PolarHBondContact O-N 3.36Å; N227-M230 PolarHBondContact OD1-N 3.37Å; M228-M230 VanDerWaalsContact C-N 3.29Å; M228-M230 PolarHBondContact O-N 3.41Å; M230-Q233 PolarHBondContact O-N 3.28Å; M230-I234 HydrophobicContact CG-CD1 4.03Å; M230-I234 WeakPolarHBondContact O-CG1 3.29Å; M230-I234 PolarHBondContact O-N 3.5Å |
| 231 | V | 93.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 110 | L219 A222 T223 N227 M228 Q233 I234 L235 M263 L267 | L219-V231 HydrophobicContact CD1-CG1 4.19Å; A222-V231 HydrophobicContact CB-CG2 3.72Å; T223-V231 HydrophobicContact CG2-CG2 3.83Å; N227-V231 WeakPolarHBondContact O-CG2 3.45Å; N227-V231 PolarHBondContact O-N 3.39Å; M228-V231 PolarHBondContact O-N 3.08Å; V231-Q233 PolarHBondContact O-N 3.37Å; V231-I234 PolarHBondContact O-N 3.44Å; V231-L235 HydrophobicContact CG1-CD1 3.67Å; V231-L235 HydrophobicContact CG1-CG 4.23Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.26Å; V231-L235 PolarHBondContact O-N 3.22Å; V231-M263 HydrophobicContact CG2-CE 3.95Å; V231-M263 HydrophobicContact CG2-SD 4.27Å; V231-L267 HydrophobicContact CG1-CD2 4.32Å |
| 232 | I | 92.7 | Very high | 90.1 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 177.3 | -67.4 | 165.1 | 0 | 0 | 0 | 111.3 | M228 E229 I234 L235 T236 | M228-I232 WeakPolarHBondContact O-CB 3.44Å; M228-I232 VanDerWaalsContact O-CG1 3.26Å; M228-I232 WeakPolarHBondContact O-CG1 3.24Å; M228-I232 PolarHBondContact O-N 3.38Å; E229-I232 PolarHBondContact O-N 2.93Å; I232-I234 PolarHBondContact O-N 2.95Å; I232-L235 PolarHBondContact O-N 3.46Å; I232-T236 WeakPolarHBondContact O-CG2 3.29Å; I232-T236 PolarHBondContact O-N 3.1Å |
| 233 | Q | 91.8 | Very high | 89.8 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 177.7 | -67.3 | -44.1 | -96.8 | 0 | 0 | 112 | V195 K199 L202 E229 M230 V231 T236 | V195-Q233 HydrophobicContact CG1-CG 3.88Å; K199-Q233 VanDerWaalsContact CD-OE1 3.25Å; L202-Q233 HydrophobicContact CD1-CB 4.38Å; L202-Q233 WeakPolarHBondContact CD1-O 3.32Å; E229-Q233 WeakPolarHBondContact O-CG 3.43Å; E229-Q233 PolarHBondContact O-N 2.99Å; M230-Q233 PolarHBondContact O-N 3.28Å; V231-Q233 PolarHBondContact O-N 3.37Å; Q233-T236 PolarHBondContact O-N 3.08Å; Q233-T236 PolarHBondContact O-OG1 3.35Å |
| 234 | I | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 177.5 | -68 | 164.5 | 0 | 0 | 0 | 110.7 | V198 L202 A208 A218 L219 A222 M230 V231 I232 T236 K237 | V198-I234 HydrophobicContact CG1-CG1 4.16Å; L202-I234 HydrophobicContact CD1-CG1 4.05Å; A208-I234 HydrophobicContact CB-CG2 4.23Å; A218-I234 HydrophobicContact CB-CD1 4.12Å; L219-I234 HydrophobicContact CB-CG2 4.31Å; L219-I234 HydrophobicContact CD1-CG2 4.15Å; A222-I234 HydrophobicContact CB-CD1 3.64Å; M230-I234 HydrophobicContact CG-CD1 4.03Å; M230-I234 WeakPolarHBondContact O-CG1 3.29Å; M230-I234 PolarHBondContact O-N 3.5Å; V231-I234 PolarHBondContact O-N 3.44Å; I232-I234 PolarHBondContact O-N 2.95Å; I234-T236 PolarHBondContact O-N 2.93Å; I234-T236 VanDerWaalsContact O-N 3.1Å; I234-K237 PolarHBondContact O-N 3.39Å |
| 235 | L | 91.4 | Very high | 89.3 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -9.6 | 178.4 | -65.8 | 175 | 0 | 0 | 0 | 114.3 | L219 V231 I232 K237 L241 L267 A270 | L219-L235 HydrophobicContact CD1-CD2 4.22Å; L219-L235 HydrophobicContact CD1-CG 4.42Å; V231-L235 HydrophobicContact CG1-CD1 3.67Å; V231-L235 HydrophobicContact CG1-CG 4.23Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.26Å; V231-L235 PolarHBondContact O-N 3.22Å; I232-L235 PolarHBondContact O-N 3.46Å; L235-K237 PolarHBondContact O-N 3.03Å; L235-L241 HydrophobicContact CD2-CD2 3.38Å; L235-L267 HydrophobicContact CD1-CD2 4.37Å; L235-A270 HydrophobicContact CD1-CB 4.38Å; L235-A270 HydrophobicContact CD2-CB 4.07Å |
| 236 | T | 88.9 | Confident | 89.1 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.1 | 168.1 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | I232 Q233 I234 | I232-T236 WeakPolarHBondContact O-CG2 3.29Å; I232-T236 PolarHBondContact O-N 3.1Å; Q233-T236 PolarHBondContact O-N 3.08Å; Q233-T236 PolarHBondContact O-OG1 3.35Å; I234-T236 PolarHBondContact O-N 2.93Å; I234-T236 VanDerWaalsContact O-N 3.1Å |
| 237 | K | 85.5 | Confident | 88.7 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -119.1 | 148 | 174.7 | -64.5 | -62.3 | -171.6 | 173.1 | 0 | 109.7 | L202 I234 L235 C239 | L202-K237 HydrophobicContact CD2-CG 4.29Å; L202-K237 VanDerWaalsContact O-CE 3.24Å; L202-K237 WeakPolarHBondContact O-CE 3.26Å; I234-K237 PolarHBondContact O-N 3.39Å; L235-K237 PolarHBondContact O-N 3.03Å; K237-C239 PolarHBondContact O-N 2.8Å; K237-C239 PolarHBondContact O-SG 3.25Å |
| 238 | P | 83.3 | Confident | 88.2 | Confident | 123 Ų | 123 | 51.8 Ų | 51.8 | 80% | 0.799 | 27% | 0.269 | S | S | * | . | trans | -58.9 | 131.2 | 169.6 | 27.2 | -34.2 | 0 | 0 | 0 | 109.1 | ||||
| 239 | C | 86.6 | Confident | 88 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | trans | -155.5 | 159.6 | -178.9 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | A208 D209 K237 L241 | A208-C239 HydrophobicContact CB-CB 3.86Å; D209-C239 WeakPolarHBondContact OD1-CA 3.27Å; D209-C239 WeakPolarHBondContact OD1-CB 3.39Å; K237-C239 PolarHBondContact O-N 2.8Å; K237-C239 PolarHBondContact O-SG 3.25Å; C239-L241 PolarHBondContact O-N 2.79Å; C239-L241 VanDerWaalsContact O-N 3.1Å | ||
| 240 | E | 87.2 | Confident | 87.7 | Confident | 106 Ų | 106 | 47 Ų | 47 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | trans | -78.4 | 92.5 | -178.3 | -168.9 | -178.6 | -168.8 | 0 | 0 | 111.3 | D209 N242 A243 | D209-E240 PolarHBondContact OD1-N 3.03Å; E240-N242 PolarHBondContact O-N 3.29Å; E240-A243 HydrophobicContact CB-CB 4.45Å; E240-A243 HydrophobicContact CG-CB 4.17Å; E240-A243 PolarHBondContact O-N 3.11Å | ||
| 241 | L | 87.1 | Confident | 87.6 | Confident | 26 Ų | 26 | 47 Ų | 47 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.7 | -179.2 | -58.5 | 175.7 | 0 | 0 | 0 | 114.1 | L219 L235 C239 A270 A272 | L219-L241 HydrophobicContact CD2-CD2 3.94Å; L235-L241 HydrophobicContact CD2-CD2 3.38Å; C239-L241 PolarHBondContact O-N 2.79Å; C239-L241 VanDerWaalsContact O-N 3.1Å; L241-A270 HydrophobicContact CD1-CB 3.89Å; L241-A270 WeakPolarHBondContact CD1-O 3.19Å; L241-A270 HydrophobicContact CD2-CB 4.1Å; L241-A272 HydrophobicContact CB-CB 3.94Å; L241-A272 HydrophobicContact CD1-CB 4.32Å |
| 242 | N | 86 | Confident | 87.4 | Confident | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 4.3 | -168.1 | -54.9 | -25.1 | 0 | 0 | 0 | 113.1 | E240 S273 | E240-N242 PolarHBondContact O-N 3.29Å; N242-S273 PolarHBondContact ND2-OG 3.33Å; N242-S273 PolarHBondContact OD1-N 2.8Å; N242-S273 PolarHBondContact OD1-OG 3.41Å |
| 243 | A | 86.9 | Confident | 87.2 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | trans | -57.2 | 140.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T217 L220 E240 T250 | T217-A243 HydrophobicContact CG2-CB 3.78Å; L220-A243 HydrophobicContact CD1-CB 4.46Å; E240-A243 HydrophobicContact CB-CB 4.45Å; E240-A243 HydrophobicContact CG-CB 4.17Å; E240-A243 PolarHBondContact O-N 3.11Å; A243-T250 WeakPolarHBondContact O-CA 3.41Å | ||
| 244 | V | 86.3 | Confident | 87.1 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 38% | 0.376 | 22% | 0.224 | S | C | . | . | trans | -112.7 | 141.6 | -176.6 | -70.6 | 0 | 0 | 0 | 0 | 112.6 | Y249 T250 | V244-Y249 WeakPolarHBondContact CA-O 3.41Å; V244-T250 HydrophobicContact CG1-CG2 3.66Å | ||
| 245 | D | 85.9 | Confident | 87 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | trans | -75.9 | 172.4 | 169.7 | 92.8 | -22.5 | 0 | 0 | 0 | 112.5 | L216 L220 R247 G248 Y249 | L216-D245 HydrophobicContact CD2-CB 3.7Å; L216-D245 HydrophobicContact CG-CB 4.5Å; L220-D245 HydrophobicContact CD1-CB 4.25Å; D245-R247 PolarHBondContact O-N 3.24Å; D245-R247 WeakPolarHBondContact OD1-CA 3.25Å; D245-R247 WeakPolarHBondContact OD1-CB 3.45Å; D245-R247 PolarHBondContact OD1-N 2.71Å; D245-R247 IonicContact OD1-NE 3.02Å; D245-R247 IonicContact OD2-CZ 2.76Å; D245-R247 IonicContact OD2-NE 2.69Å; D245-R247 PolarHBondContact OD2-NE 3.04Å; D245-R247 IonicContact OD2-NH2 2.75Å; D245-R247 PolarHBondContact OD2-NH2 3.48Å; D245-G248 PolarHBondContact O-N 3Å; D245-G248 PolarHBondContact OD1-N 2.98Å; D245-Y249 PolarHBondContact N-O 3.33Å; D245-Y249 WeakPolarHBondContact OD1-CB 3.44Å; D245-Y249 PolarHBondContact OD1-N 3.29Å | ||
| 246 | H | 85.8 | Confident | 87 | Confident | 97 Ų | 97 | 40.8 Ų | 40.8 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -1.1 | 175.2 | 70.2 | -51.5 | 0 | 0 | 0 | 117.2 | K214 | K214-H246 HydrophobicContact CB-CB 4.28Å; K214-H246 WeakPolarHBondContact O-CB 3.49Å; K214-H246 PolarHBondContact O-N 2.92Å; K214-H246 PolarHBondContact O-ND1 2.94Å; K214-H246 VanDerWaalsContact O-ND1 3.11Å |
| 247 | R | 82.9 | Confident | 87 | Confident | 95 Ų | 95 | 40.4 Ų | 40.4 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 5.4 | 175.7 | -54.1 | 165.9 | -66.2 | 154.8 | 8.7 | 111.5 | D245 Y249 L280 | D245-R247 PolarHBondContact O-N 3.24Å; D245-R247 WeakPolarHBondContact OD1-CA 3.25Å; D245-R247 WeakPolarHBondContact OD1-CB 3.45Å; D245-R247 PolarHBondContact OD1-N 2.71Å; D245-R247 IonicContact OD1-NE 3.02Å; D245-R247 IonicContact OD2-CZ 2.76Å; D245-R247 IonicContact OD2-NE 2.69Å; D245-R247 PolarHBondContact OD2-NE 3.04Å; D245-R247 IonicContact OD2-NH2 2.75Å; D245-R247 PolarHBondContact OD2-NH2 3.48Å; R247-Y249 HydrophobicContact CB-CD2 3.65Å; R247-Y249 HydrophobicContact CB-CE2 3.78Å; R247-Y249 VanDerWaalsContact CZ-CD2 3.41Å; R247-L280 VanDerWaalsContact O-CD2 3.23Å; R247-L280 WeakPolarHBondContact O-CD2 3.2Å; R247-L280 VanDerWaalsContact O-CG 3.28Å; R247-L280 WeakPolarHBondContact O-CG 3.5Å |
| 248 | G | 81.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 83.5 | 5.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D245 T250 S277 | D245-G248 PolarHBondContact O-N 3Å; D245-G248 PolarHBondContact OD1-N 2.98Å; G248-T250 PolarHBondContact O-N 3.24Å; G248-S277 WeakPolarHBondContact O-CB 3.42Å; G248-S277 PolarHBondContact O-OG 3.37Å |
| 249 | Y | 86 | Confident | 87.5 | Confident | 34 Ų | 34 | 35 Ų | 35 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | trans | -80 | 120.4 | -176.9 | -69.2 | -64.6 | 0 | 0 | 0 | 112.3 | L220 V244 D245 R247 I253 L280 R287 | L220-Y249 WeakPolarHBondContact CD2-O 3.46Å; V244-Y249 WeakPolarHBondContact CA-O 3.41Å; D245-Y249 PolarHBondContact N-O 3.33Å; D245-Y249 WeakPolarHBondContact OD1-CB 3.44Å; D245-Y249 PolarHBondContact OD1-N 3.29Å; R247-Y249 HydrophobicContact CB-CD2 3.65Å; R247-Y249 HydrophobicContact CB-CE2 3.78Å; R247-Y249 VanDerWaalsContact CZ-CD2 3.41Å; Y249-I253 HydrophobicContact CD1-CB 3.9Å; Y249-I253 HydrophobicContact CD1-CD1 4.5Å; Y249-I253 HydrophobicContact CD1-CG2 3.41Å; Y249-I253 VanDerWaalsContact CD1-CG2 3.41Å; Y249-I253 HydrophobicContact CE1-CG2 3.7Å; Y249-L280 HydrophobicContact CD1-CD1 3.51Å; Y249-L280 HydrophobicContact CE1-CD1 3.38Å; Y249-L280 HydrophobicContact CE1-CD2 4.41Å; Y249-L280 HydrophobicContact CE2-CD1 4.49Å; Y249-L280 HydrophobicContact CG-CD1 4.15Å; Y249-R287 VanDerWaalsContact CE1-NH1 3.31Å; Y249-R287 PolarHBondContact OH-NH1 3.39Å; Y249-R287 PolarHBondContact OH-NH2 3.22Å; Y249-R287 VanDerWaalsContact OH-NH2 3.09Å | ||
| 250 | T | 88.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | trans | -74.8 | 169.7 | 166 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | L220 A243 V244 G248 T252 I253 N254 | L220-T250 VanDerWaalsContact CD2-C 3.47Å; A243-T250 WeakPolarHBondContact O-CA 3.41Å; V244-T250 HydrophobicContact CG1-CG2 3.66Å; G248-T250 PolarHBondContact O-N 3.24Å; T250-T252 VanDerWaalsContact C-N 3.29Å; T250-T252 PolarHBondContact O-N 3.13Å; T250-T252 PolarHBondContact OG1-OG1 3.25Å; T250-I253 PolarHBondContact O-N 3.47Å; T250-I253 WeakPolarHBondContact OG1-CG1 3.17Å; T250-I253 PolarHBondContact OG1-N 2.86Å; T250-N254 PolarHBondContact O-N 3.09Å; T250-N254 VanDerWaalsContact O-N 3.09Å; T250-N254 PolarHBondContact O-ND2 3.24Å | ||
| 251 | A | 89.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.1 | -43.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L219 T223 N254 A255 L267 | L219-A251 HydrophobicContact CD2-CB 3.79Å; L219-A251 HydrophobicContact CG-CB 3.86Å; T223-A251 HydrophobicContact CG2-CB 4.06Å; A251-N254 PolarHBondContact O-N 3.38Å; A251-A255 PolarHBondContact O-N 2.81Å; A251-L267 HydrophobicContact CB-CD1 4.31Å; A251-L267 HydrophobicContact CB-CD2 4.19Å |
| 252 | T | 89.6 | Confident | 88.1 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.2 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | T250 N254 A255 V256 L267 A272 | T250-T252 VanDerWaalsContact C-N 3.29Å; T250-T252 PolarHBondContact O-N 3.13Å; T250-T252 PolarHBondContact OG1-OG1 3.25Å; T252-N254 PolarHBondContact O-N 3.44Å; T252-A255 PolarHBondContact O-N 3.32Å; T252-V256 WeakPolarHBondContact O-CG2 3.23Å; T252-V256 PolarHBondContact O-N 3.19Å; T252-L267 HydrophobicContact CG2-CB 3.91Å; T252-L267 HydrophobicContact CG2-CD1 4.3Å; T252-A272 HydrophobicContact CG2-CB 3.51Å |
| 253 | I | 88.3 | Confident | 88.5 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.7 | -34.8 | 178.8 | -53.8 | 163.2 | 0 | 0 | 0 | 111.1 | Y249 T250 V256 Q257 L280 V284 R287 | Y249-I253 HydrophobicContact CD1-CB 3.9Å; Y249-I253 HydrophobicContact CD1-CD1 4.5Å; Y249-I253 HydrophobicContact CD1-CG2 3.41Å; Y249-I253 VanDerWaalsContact CD1-CG2 3.41Å; Y249-I253 HydrophobicContact CE1-CG2 3.7Å; T250-I253 PolarHBondContact O-N 3.47Å; T250-I253 WeakPolarHBondContact OG1-CG1 3.17Å; T250-I253 PolarHBondContact OG1-N 2.86Å; I253-V256 PolarHBondContact O-N 3.5Å; I253-Q257 VanDerWaalsContact O-CB 3.25Å; I253-Q257 WeakPolarHBondContact O-CB 3.24Å; I253-Q257 PolarHBondContact O-N 3.13Å; I253-L280 HydrophobicContact CD1-CD1 4.33Å; I253-V284 HydrophobicContact CG1-CG2 3.77Å; I253-R287 HydrophobicContact CG2-CB 4.3Å; I253-R287 HydrophobicContact CG2-CG 3.97Å |
| 254 | N | 89.4 | Confident | 88.7 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.053 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 172.5 | -73.7 | -45.4 | 0 | 0 | 0 | 112 | L220 T250 A251 T252 Q257 N258 | L220-N254 WeakPolarHBondContact CD2-ND2 3.09Å; T250-N254 PolarHBondContact O-N 3.09Å; T250-N254 VanDerWaalsContact O-N 3.09Å; T250-N254 PolarHBondContact O-ND2 3.24Å; A251-N254 PolarHBondContact O-N 3.38Å; T252-N254 PolarHBondContact O-N 3.44Å; N254-Q257 WeakPolarHBondContact O-CB 3.48Å; N254-Q257 PolarHBondContact O-N 3.35Å; N254-N258 VanDerWaalsContact O-CG 3.3Å; N254-N258 PolarHBondContact O-N 3.3Å; N254-N258 VanDerWaalsContact O-N 3.13Å; N254-N258 PolarHBondContact O-ND2 3.49Å; N254-N258 PolarHBondContact O-OD1 2.98Å |
| 255 | A | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A251 T252 Q257 N258 G259 N260 M263 V264 L267 | A251-A255 PolarHBondContact O-N 2.81Å; T252-A255 PolarHBondContact O-N 3.32Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.99Å; A255-N258 PolarHBondContact O-N 3.02Å; A255-G259 PolarHBondContact O-N 3.34Å; A255-N260 PolarHBondContact O-N 3.44Å; A255-M263 HydrophobicContact CB-CB 4.02Å; A255-M263 HydrophobicContact CB-CG 3.64Å; A255-M263 HydrophobicContact CB-SD 3.88Å; A255-V264 HydrophobicContact CB-CG2 3.77Å; A255-L267 HydrophobicContact CB-CD1 3.71Å |
| 256 | V | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 173.1 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | T252 I253 N258 G259 V264 V284 R287 A288 L291 I296 | T252-V256 WeakPolarHBondContact O-CG2 3.23Å; T252-V256 PolarHBondContact O-N 3.19Å; I253-V256 PolarHBondContact O-N 3.5Å; V256-N258 PolarHBondContact O-N 2.75Å; V256-G259 PolarHBondContact O-N 3.15Å; V256-V264 HydrophobicContact CB-CG2 4.46Å; V256-V264 HydrophobicContact CG2-CG1 4.39Å; V256-V264 HydrophobicContact CG2-CG2 3.57Å; V256-V284 HydrophobicContact CG2-CG1 3.73Å; V256-R287 HydrophobicContact CG1-CB 4.32Å; V256-R287 HydrophobicContact CG1-CG 4.04Å; V256-A288 HydrophobicContact CG1-CB 4Å; V256-L291 HydrophobicContact CG1-CD1 3.89Å; V256-L291 WeakPolarHBondContact O-CD1 3.41Å; V256-I296 HydrophobicContact CG1-CG2 4.3Å; V256-I296 HydrophobicContact CG2-CG2 3.82Å |
| 257 | Q | 89.3 | Confident | 89.4 | Confident | 85 Ų | 85 | 31.2 Ų | 31.2 | 40% | 0.397 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.5 | -26.4 | 178.4 | -170.7 | 64.3 | 50.6 | 0 | 0 | 113.4 | I253 N254 A255 | I253-Q257 VanDerWaalsContact O-CB 3.25Å; I253-Q257 WeakPolarHBondContact O-CB 3.24Å; I253-Q257 PolarHBondContact O-N 3.13Å; N254-Q257 WeakPolarHBondContact O-CB 3.48Å; N254-Q257 PolarHBondContact O-N 3.35Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.99Å |
| 258 | N | 89.7 | Confident | 89.7 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 34% | 0.337 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -11.8 | 172.8 | -61.8 | -19.7 | 0 | 0 | 0 | 113.5 | T223 N226 N254 A255 V256 N260 | T223-N258 PolarHBondContact O-ND2 2.89Å; N226-N258 HydrophobicContact CB-CB 4.49Å; N226-N258 WeakPolarHBondContact CB-ND2 3.49Å; N226-N258 PolarHBondContact OD1-ND2 3.16Å; N254-N258 VanDerWaalsContact O-CG 3.3Å; N254-N258 PolarHBondContact O-N 3.3Å; N254-N258 VanDerWaalsContact O-N 3.13Å; N254-N258 PolarHBondContact O-ND2 3.49Å; N254-N258 PolarHBondContact O-OD1 2.98Å; A255-N258 PolarHBondContact O-N 3.02Å; V256-N258 PolarHBondContact O-N 2.75Å; N258-N260 VanDerWaalsContact C-N 3.29Å; N258-N260 HydrophobicContact CB-CB 4.41Å; N258-N260 PolarHBondContact O-N 2.85Å |
| 259 | G | 88.6 | Confident | 90 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 39% | 0.392 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 14.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | A255 V256 T261 | A255-G259 PolarHBondContact O-N 3.34Å; V256-G259 PolarHBondContact O-N 3.15Å; G259-T261 PolarHBondContact O-N 3.32Å |
| 260 | N | 90.3 | Very high | 90.1 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 15% | 0.15 | 18% | 0.183 | C | C | . | . | trans | -89 | 100.3 | -173.5 | -173.1 | -21.5 | 0 | 0 | 0 | 111.3 | N226 A255 N258 E262 M263 V264 | N226-N260 WeakPolarHBondContact OD1-CB 3.48Å; N226-N260 PolarHBondContact OD1-ND2 2.82Å; A255-N260 PolarHBondContact O-N 3.44Å; N258-N260 VanDerWaalsContact C-N 3.29Å; N258-N260 HydrophobicContact CB-CB 4.41Å; N258-N260 PolarHBondContact O-N 2.85Å; N260-E262 PolarHBondContact OD1-N 2.86Å; N260-M263 HydrophobicContact CB-CB 3.88Å; N260-M263 PolarHBondContact O-N 3.1Å; N260-M263 PolarHBondContact OD1-N 3.25Å; N260-M263 VanDerWaalsContact OD1-N 3.08Å; N260-V264 WeakPolarHBondContact O-CG2 3.35Å; N260-V264 PolarHBondContact O-N 3.33Å; N260-V264 VanDerWaalsContact O-N 3.13Å | ||
| 261 | T | 91.7 | Very high | 89.9 | Confident | 35 Ų | 35 | 36.3 Ų | 36.3 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | -178.8 | 39.9 | 0 | 0 | 0 | 0 | 113.1 | G259 M263 V264 E265 E295 I296 L299 | G259-T261 PolarHBondContact O-N 3.32Å; T261-M263 VanDerWaalsContact C-N 3.28Å; T261-M263 PolarHBondContact O-N 2.95Å; T261-V264 PolarHBondContact O-N 3.46Å; T261-V264 VanDerWaalsContact O-N 3.16Å; T261-E265 PolarHBondContact O-N 2.72Å; T261-E295 HydrophobicContact CG2-CB 3.62Å; T261-I296 HydrophobicContact CG2-CD1 4.47Å; T261-I296 HydrophobicContact CG2-CG1 3.59Å; T261-L299 HydrophobicContact CG2-CD1 4.13Å |
| 262 | E | 92.1 | Very high | 89.6 | Confident | 123 Ų | 123 | 36.5 Ų | 36.5 | 58% | 0.575 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -59.7 | -38.7 | 177.4 | -59.4 | -178.6 | 178.7 | 0 | 0 | 111.8 | M228 N260 E265 K266 | M228-E262 HydrophobicContact CE-CB 3.6Å; M228-E262 HydrophobicContact SD-CB 4.44Å; N260-E262 PolarHBondContact OD1-N 2.86Å; E262-E265 PolarHBondContact O-N 3.09Å; E262-K266 WeakPolarHBondContact O-CB 3.42Å; E262-K266 VanDerWaalsContact O-CG 3.24Å; E262-K266 WeakPolarHBondContact O-CG 3.33Å; E262-K266 PolarHBondContact O-N 2.71Å |
| 263 | M | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -39.5 | 177.2 | -167.2 | 171.3 | -75.2 | 0 | 0 | 112 | T223 M228 V231 A255 N260 T261 L267 | T223-M263 HydrophobicContact CG2-SD 3.91Å; M228-M263 HydrophobicContact CG-CE 4.06Å; M228-M263 WeakPolarHBondContact SD-CA 3.16Å; M228-M263 HydrophobicContact SD-CB 3.43Å; M228-M263 WeakPolarHBondContact SD-CB 3.49Å; M228-M263 HydrophobicContact SD-CE 3.65Å; M228-M263 HydrophobicContact SD-CG 3.88Å; V231-M263 HydrophobicContact CG2-CE 3.95Å; V231-M263 HydrophobicContact CG2-SD 4.27Å; A255-M263 HydrophobicContact CB-CB 4.02Å; A255-M263 HydrophobicContact CB-CG 3.64Å; A255-M263 HydrophobicContact CB-SD 3.88Å; N260-M263 HydrophobicContact CB-CB 3.88Å; N260-M263 PolarHBondContact O-N 3.1Å; N260-M263 PolarHBondContact OD1-N 3.25Å; N260-M263 VanDerWaalsContact OD1-N 3.08Å; T261-M263 VanDerWaalsContact C-N 3.28Å; T261-M263 PolarHBondContact O-N 2.95Å; M263-L267 HydrophobicContact CG-CD1 4.2Å; M263-L267 WeakPolarHBondContact O-CB 3.28Å; M263-L267 WeakPolarHBondContact O-CD1 3.48Å; M263-L267 VanDerWaalsContact O-CG 3.24Å; M263-L267 WeakPolarHBondContact O-CG 3.23Å; M263-L267 PolarHBondContact O-N 3.04Å; M263-L267 VanDerWaalsContact O-N 3.15Å |
| 264 | V | 91.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 175.2 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | A255 V256 N260 T261 K266 L267 L268 I296 L300 | A255-V264 HydrophobicContact CB-CG2 3.77Å; V256-V264 HydrophobicContact CB-CG2 4.46Å; V256-V264 HydrophobicContact CG2-CG1 4.39Å; V256-V264 HydrophobicContact CG2-CG2 3.57Å; N260-V264 WeakPolarHBondContact O-CG2 3.35Å; N260-V264 PolarHBondContact O-N 3.33Å; N260-V264 VanDerWaalsContact O-N 3.13Å; T261-V264 PolarHBondContact O-N 3.46Å; T261-V264 VanDerWaalsContact O-N 3.16Å; V264-K266 PolarHBondContact O-N 3.45Å; V264-L267 PolarHBondContact O-N 2.85Å; V264-L268 HydrophobicContact CG1-CD1 3.71Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 VanDerWaalsContact O-CG 3.23Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 2.91Å; V264-I296 HydrophobicContact CG1-CG2 4.48Å; V264-I296 HydrophobicContact CG2-CD1 4.45Å; V264-L300 HydrophobicContact CG1-CD2 4.48Å |
| 265 | E | 91.6 | Very high | 86.9 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 33% | 0.327 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.3 | -50.8 | 176.6 | -174.5 | -170 | -120.3 | 0 | 0 | 111.8 | T261 E262 L267 L268 E269 | T261-E265 PolarHBondContact O-N 2.72Å; E262-E265 PolarHBondContact O-N 3.09Å; E265-L267 VanDerWaalsContact C-N 3.29Å; E265-L267 PolarHBondContact O-N 3.34Å; E265-L268 CarbonylContact O-C 3.49Å; E265-L268 PolarHBondContact O-N 3.01Å; E265-L268 VanDerWaalsContact O-N 3.07Å; E265-E269 HydrophobicContact CG-CG 4.45Å; E265-E269 WeakPolarHBondContact O-CG 3.03Å; E265-E269 PolarHBondContact O-N 2.82Å |
| 266 | K | 90.7 | Very high | 85.5 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -28.7 | -177.5 | -67.2 | -77.9 | 155.2 | -75.6 | 0 | 113.2 | M228 E262 V264 E269 A270 | M228-K266 HydrophobicContact CE-CG 4.16Å; E262-K266 WeakPolarHBondContact O-CB 3.42Å; E262-K266 VanDerWaalsContact O-CG 3.24Å; E262-K266 WeakPolarHBondContact O-CG 3.33Å; E262-K266 PolarHBondContact O-N 2.71Å; V264-K266 PolarHBondContact O-N 3.45Å; K266-E269 VanDerWaalsContact CD-OE2 3.26Å; K266-E269 WeakPolarHBondContact CD-OE2 3.34Å; K266-E269 WeakPolarHBondContact CE-OE2 3.48Å; K266-E269 IonicContact NZ-OE1 3.27Å; K266-E269 PolarHBondContact NZ-OE1 2.98Å; K266-E269 IonicContact NZ-OE2 3.88Å; K266-E269 PolarHBondContact NZ-OE2 2.97Å; K266-A270 PolarHBondContact O-N 3.31Å |
| 267 | L | 90.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.6 | -36.1 | 171.2 | -70.7 | 167.5 | 0 | 0 | 0 | 112.3 | L219 T223 V231 L235 A251 T252 A255 M263 V264 E265 A270 G271 A272 | L219-L267 HydrophobicContact CD1-CD2 4.24Å; L219-L267 HydrophobicContact CD2-CD2 4.32Å; T223-L267 HydrophobicContact CG2-CD1 3.96Å; V231-L267 HydrophobicContact CG1-CD2 4.32Å; L235-L267 HydrophobicContact CD1-CD2 4.37Å; A251-L267 HydrophobicContact CB-CD1 4.31Å; A251-L267 HydrophobicContact CB-CD2 4.19Å; T252-L267 HydrophobicContact CG2-CB 3.91Å; T252-L267 HydrophobicContact CG2-CD1 4.3Å; A255-L267 HydrophobicContact CB-CD1 3.71Å; M263-L267 HydrophobicContact CG-CD1 4.2Å; M263-L267 WeakPolarHBondContact O-CB 3.28Å; M263-L267 WeakPolarHBondContact O-CD1 3.48Å; M263-L267 VanDerWaalsContact O-CG 3.24Å; M263-L267 WeakPolarHBondContact O-CG 3.23Å; M263-L267 PolarHBondContact O-N 3.04Å; M263-L267 VanDerWaalsContact O-N 3.15Å; V264-L267 PolarHBondContact O-N 2.85Å; E265-L267 VanDerWaalsContact C-N 3.29Å; E265-L267 PolarHBondContact O-N 3.34Å; L267-A270 PolarHBondContact O-N 3.22Å; L267-G271 PolarHBondContact O-N 3.34Å; L267-A272 HydrophobicContact CB-CB 4.35Å; L267-A272 WeakPolarHBondContact O-CB 3.45Å; L267-A272 PolarHBondContact O-N 3.43Å |
| 268 | L | 88.9 | Confident | 82.4 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.7 | -38.6 | 175.5 | -68.2 | 169 | 0 | 0 | 0 | 111.8 | V264 E265 A270 G271 V274 L300 K303 | V264-L268 HydrophobicContact CG1-CD1 3.71Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 VanDerWaalsContact O-CG 3.23Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 2.91Å; E265-L268 CarbonylContact O-C 3.49Å; E265-L268 PolarHBondContact O-N 3.01Å; E265-L268 VanDerWaalsContact O-N 3.07Å; L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.29Å; L268-G271 PolarHBondContact O-N 3.01Å; L268-V274 HydrophobicContact CD2-CG1 4.43Å; L268-V274 HydrophobicContact CD2-CG2 3.54Å; L268-L300 HydrophobicContact CD1-CD2 4.05Å; L268-K303 HydrophobicContact CD1-CG 4.3Å |
| 269 | E | 88.9 | Confident | 81 | Confident | 115 Ų | 115 | 54 Ų | 54 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 170.9 | -77.4 | 177.6 | 178.4 | 0 | 0 | 112.6 | E265 K266 G271 | E265-E269 HydrophobicContact CG-CG 4.45Å; E265-E269 WeakPolarHBondContact O-CG 3.03Å; E265-E269 PolarHBondContact O-N 2.82Å; K266-E269 VanDerWaalsContact CD-OE2 3.26Å; K266-E269 WeakPolarHBondContact CD-OE2 3.34Å; K266-E269 WeakPolarHBondContact CE-OE2 3.48Å; K266-E269 IonicContact NZ-OE1 3.27Å; K266-E269 PolarHBondContact NZ-OE1 2.98Å; K266-E269 IonicContact NZ-OE2 3.88Å; K266-E269 PolarHBondContact NZ-OE2 2.97Å; E269-G271 PolarHBondContact O-N 3.11Å |
| 270 | A | 87.4 | Confident | 79.7 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L235 L241 K266 L267 L268 | L235-A270 HydrophobicContact CD1-CB 4.38Å; L235-A270 HydrophobicContact CD2-CB 4.07Å; L241-A270 HydrophobicContact CD1-CB 3.89Å; L241-A270 WeakPolarHBondContact CD1-O 3.19Å; L241-A270 HydrophobicContact CD2-CB 4.1Å; K266-A270 PolarHBondContact O-N 3.31Å; L267-A270 PolarHBondContact O-N 3.22Å; L268-A270 VanDerWaalsContact C-N 3.3Å; L268-A270 PolarHBondContact O-N 3.29Å |
| 271 | G | 84.6 | Confident | 78.4 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | 21.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L267 L268 E269 S273 | L267-G271 PolarHBondContact O-N 3.34Å; L268-G271 PolarHBondContact O-N 3.01Å; E269-G271 PolarHBondContact O-N 3.11Å; G271-S273 PolarHBondContact O-N 3.4Å |
| 272 | A | 84.2 | Confident | 77.3 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | trans | -61.9 | 132.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L241 T252 L267 V274 | L241-A272 HydrophobicContact CB-CB 3.94Å; L241-A272 HydrophobicContact CD1-CB 4.32Å; T252-A272 HydrophobicContact CG2-CB 3.51Å; L267-A272 HydrophobicContact CB-CB 4.35Å; L267-A272 WeakPolarHBondContact O-CB 3.45Å; L267-A272 PolarHBondContact O-N 3.43Å; A272-V274 PolarHBondContact O-N 3.15Å | ||
| 273 | S | 74.8 | Confident | 76.8 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | trans | -68.9 | 125 | -175.9 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | N242 G271 N275 | N242-S273 PolarHBondContact ND2-OG 3.33Å; N242-S273 PolarHBondContact OD1-N 2.8Å; N242-S273 PolarHBondContact OD1-OG 3.41Å; G271-S273 PolarHBondContact O-N 3.4Å; S273-N275 VanDerWaalsContact C-N 3.34Å | ||
| 274 | V | 71.1 | Confident | 76.5 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | trans | -76.5 | -24.9 | -177 | -154.5 | 0 | 0 | 0 | 0 | 112.6 | L268 A272 N283 V284 L300 V305 | L268-V274 HydrophobicContact CD2-CG1 4.43Å; L268-V274 HydrophobicContact CD2-CG2 3.54Å; A272-V274 PolarHBondContact O-N 3.15Å; V274-N283 PolarHBondContact O-OD1 3.06Å; V274-V284 HydrophobicContact CG1-CB 3.85Å; V274-V284 HydrophobicContact CG1-CG1 4.25Å; V274-V284 HydrophobicContact CG1-CG2 4.28Å; V274-V284 WeakPolarHBondContact O-CB 3.37Å; V274-V284 WeakPolarHBondContact O-CG2 3.19Å; V274-L300 HydrophobicContact CG1-CD2 3.61Å; V274-V305 HydrophobicContact CB-CG2 3.84Å; V274-V305 HydrophobicContact CG1-CG1 4.17Å; V274-V305 HydrophobicContact CG1-CG2 3.45Å; V274-V305 VanDerWaalsContact CG1-CG2 3.45Å; V274-V305 HydrophobicContact CG2-CG2 4.02Å | ||
| 275 | N | 64.1 | Low | 76.4 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -92.8 | 144.4 | -177.8 | -65.1 | -35.1 | 0 | 0 | 0 | 112.3 | S273 N283 | S273-N275 VanDerWaalsContact C-N 3.34Å; N275-N283 PolarHBondContact OD1-ND2 2.84Å; N275-N283 VanDerWaalsContact OD1-ND2 3.09Å; N275-N283 PolarHBondContact OD1-OD1 3.47Å |
| 276 | M | 61.5 | Low | 76.3 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 39% | 0.389 | 26% | 0.264 | S | S | . | . | trans | 71.2 | 122.4 | 167.1 | -56.7 | -56.6 | -76.2 | 0 | 0 | 118.7 | E278 Y309 | M276-E278 HydrophobicContact CE-CG 3.97Å; M276-Y309 HydrophobicContact SD-CE2 3.45Å; M276-Y309 WeakPolarHBondContact SD-CE2 3.5Å; M276-Y309 PolarHBondContact SD-OH 3.02Å | ||
| 277 | S | 57.4 | Low | 76.2 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | -119.5 | 132.6 | 122.7 | 64.5 | 0 | 0 | 0 | 0 | 108.6 | G248 Q279 L280 R281 | G248-S277 WeakPolarHBondContact O-CB 3.42Å; G248-S277 PolarHBondContact O-OG 3.37Å; S277-Q279 VanDerWaalsContact C-N 3.25Å; S277-Q279 PolarHBondContact O-N 2.97Å; S277-L280 WeakPolarHBondContact OG-CB 3.46Å; S277-R281 PolarHBondContact O-N 3.16Å; S277-R281 VanDerWaalsContact O-N 3.1Å | |||
| 278 | E | 58.3 | Low | 76.2 | Confident | 156 Ų | 156 | 48.6 Ų | 48.6 | 73% | 0.729 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -26.2 | -178.6 | -62.2 | -169.9 | 149.3 | 0 | 0 | 112.9 | M276 R281 | M276-E278 HydrophobicContact CE-CG 3.97Å; E278-R281 WeakPolarHBondContact O-CG 3.41Å |
| 279 | Q | 59.9 | Low | 76.4 | Confident | 139 Ų | 139 | 47.5 Ų | 47.5 | 65% | 0.65 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -37.7 | -177.2 | -65.4 | -177.3 | -3.7 | 0 | 0 | 112.9 | S277 | S277-Q279 VanDerWaalsContact C-N 3.25Å; S277-Q279 PolarHBondContact O-N 2.97Å |
| 280 | L | 60.5 | Low | 76.5 | Confident | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.5 | 174.7 | -64.7 | 167 | 0 | 0 | 0 | 112.1 | R247 Y249 I253 S277 E282 | R247-L280 VanDerWaalsContact O-CD2 3.23Å; R247-L280 WeakPolarHBondContact O-CD2 3.2Å; R247-L280 VanDerWaalsContact O-CG 3.28Å; R247-L280 WeakPolarHBondContact O-CG 3.5Å; Y249-L280 HydrophobicContact CD1-CD1 3.51Å; Y249-L280 HydrophobicContact CE1-CD1 3.38Å; Y249-L280 HydrophobicContact CE1-CD2 4.41Å; Y249-L280 HydrophobicContact CE2-CD1 4.49Å; Y249-L280 HydrophobicContact CG-CD1 4.15Å; I253-L280 HydrophobicContact CD1-CD1 4.33Å; S277-L280 WeakPolarHBondContact OG-CB 3.46Å; L280-E282 HydrophobicContact CB-CB 4.31Å; L280-E282 PolarHBondContact O-N 3.29Å |
| 281 | R | 64.5 | Low | 76.6 | Confident | 156 Ų | 156 | 45 Ų | 45 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.7 | -167.8 | -59.8 | -170.1 | 171 | -158.3 | -3.8 | 112.2 | S277 E278 D311 H312 | S277-R281 PolarHBondContact O-N 3.16Å; S277-R281 VanDerWaalsContact O-N 3.1Å; E278-R281 WeakPolarHBondContact O-CG 3.41Å; R281-D311 WeakPolarHBondContact O-CA 3.45Å; R281-D311 WeakPolarHBondContact O-CB 3.29Å; R281-H312 HydrophobicContact CB-CB 4.05Å |
| 282 | E | 68.9 | Low | 76.9 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | trans | -124.2 | 131.3 | 174.5 | -71.2 | -171.9 | 173.4 | 0 | 0 | 109.4 | L280 R287 K290 | L280-E282 HydrophobicContact CB-CB 4.31Å; L280-E282 PolarHBondContact O-N 3.29Å; E282-R287 IonicContact OE2-CZ 2.79Å; E282-R287 IonicContact OE2-NE 2.8Å; E282-R287 PolarHBondContact OE2-NE 2.98Å; E282-R287 IonicContact OE2-NH2 3.65Å; E282-R287 PolarHBondContact OE2-NH2 3.06Å; E282-K290 WeakPolarHBondContact OE1-CE 3.35Å; E282-K290 IonicContact OE1-NZ 2.8Å; E282-K290 PolarHBondContact OE1-NZ 3.06Å | ||
| 283 | N | 80.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -77 | 156.4 | 169.8 | -159.3 | -3.7 | 0 | 0 | 0 | 110.6 | V274 N275 L285 M286 R287 Y309 | V274-N283 PolarHBondContact O-OD1 3.06Å; N275-N283 PolarHBondContact OD1-ND2 2.84Å; N275-N283 VanDerWaalsContact OD1-ND2 3.09Å; N275-N283 PolarHBondContact OD1-OD1 3.47Å; N283-L285 PolarHBondContact O-N 3.18Å; N283-M286 HydrophobicContact CB-CB 4.45Å; N283-M286 HydrophobicContact CB-CG 3.81Å; N283-M286 WeakPolarHBondContact O-CA 3.42Å; N283-M286 VanDerWaalsContact O-CB 3.26Å; N283-M286 WeakPolarHBondContact O-CB 3.16Å; N283-M286 PolarHBondContact O-N 3.2Å; N283-R287 PolarHBondContact O-N 3.43Å; N283-R287 VanDerWaalsContact O-N 3.1Å; N283-Y309 HydrophobicContact CB-CD1 3.65Å; N283-Y309 HydrophobicContact CB-CE1 4.1Å; N283-Y309 HydrophobicContact CB-CG 3.91Å | ||
| 284 | V | 86.5 | Confident | 78.1 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | I253 V256 V274 M286 R287 A288 L300 | I253-V284 HydrophobicContact CG1-CG2 3.77Å; V256-V284 HydrophobicContact CG2-CG1 3.73Å; V274-V284 HydrophobicContact CG1-CB 3.85Å; V274-V284 HydrophobicContact CG1-CG1 4.25Å; V274-V284 HydrophobicContact CG1-CG2 4.28Å; V274-V284 WeakPolarHBondContact O-CB 3.37Å; V274-V284 WeakPolarHBondContact O-CG2 3.19Å; V284-M286 VanDerWaalsContact C-N 3.34Å; V284-M286 PolarHBondContact O-N 2.96Å; V284-R287 PolarHBondContact O-N 3.31Å; V284-A288 PolarHBondContact O-N 3.07Å; V284-L300 HydrophobicContact CG1-CD1 3.97Å; V284-L300 HydrophobicContact CG1-CD2 3.86Å |
| 285 | L | 89.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 172.2 | -178.8 | 64.1 | 0 | 0 | 0 | 112.6 | N283 R287 A288 V289 V297 L300 L301 V305 I307 A317 L333 | N283-L285 PolarHBondContact O-N 3.18Å; L285-R287 VanDerWaalsContact C-N 3.31Å; L285-R287 PolarHBondContact O-N 2.93Å; L285-A288 PolarHBondContact O-N 3.43Å; L285-V289 HydrophobicContact CD1-CG2 4.5Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 2.85Å; L285-V297 HydrophobicContact CD1-CG1 4.12Å; L285-V297 HydrophobicContact CD1-CG2 4.5Å; L285-L300 HydrophobicContact CD1-CB 4.21Å; L285-L300 HydrophobicContact CD1-CD1 4.4Å; L285-L301 HydrophobicContact CD1-CG 4.48Å; L285-L301 HydrophobicContact CD2-CD2 4.29Å; L285-V305 HydrophobicContact CB-CG1 4.03Å; L285-V305 HydrophobicContact CD2-CG1 4.27Å; L285-I307 HydrophobicContact CD2-CG2 4.3Å; L285-A317 HydrophobicContact CD2-CB 4.17Å; L285-A317 HydrophobicContact CG-CB 4.28Å; L285-L333 HydrophobicContact CD2-CD2 4.42Å |
| 286 | M | 88.4 | Confident | 80.4 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.8 | -60.8 | -72.9 | -85.8 | 0 | 0 | 110.7 | N283 V284 V289 K290 Y309 D311 R315 T316 A317 L320 | N283-M286 HydrophobicContact CB-CB 4.45Å; N283-M286 HydrophobicContact CB-CG 3.81Å; N283-M286 WeakPolarHBondContact O-CA 3.42Å; N283-M286 VanDerWaalsContact O-CB 3.26Å; N283-M286 WeakPolarHBondContact O-CB 3.16Å; N283-M286 PolarHBondContact O-N 3.2Å; V284-M286 VanDerWaalsContact C-N 3.34Å; V284-M286 PolarHBondContact O-N 2.96Å; M286-V289 PolarHBondContact O-N 3.28Å; M286-K290 WeakPolarHBondContact O-CG 3.42Å; M286-K290 PolarHBondContact O-N 3.06Å; M286-Y309 HydrophobicContact CG-CD1 4.34Å; M286-D311 HydrophobicContact CE-CB 3.71Å; M286-R315 WeakPolarHBondContact CE-O 3.13Å; M286-T316 VanDerWaalsContact SD-C 3.54Å; M286-A317 WeakPolarHBondContact SD-CA 3.36Å; M286-A317 HydrophobicContact SD-CB 3.94Å; M286-A317 PolarHBondContact SD-N 2.74Å; M286-L320 HydrophobicContact CB-CD1 4.06Å; M286-L320 HydrophobicContact CE-CD1 3.39Å; M286-L320 HydrophobicContact CE-CG 4.19Å; M286-L320 HydrophobicContact CG-CD1 4.5Å; M286-L320 HydrophobicContact SD-CD1 3.65Å |
| 287 | R | 89.4 | Confident | 81.9 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.7 | -174.7 | 57 | 63.1 | 103.1 | 1.5 | 112 | Y249 I253 V256 E282 N283 V284 L285 V289 K290 L291 | Y249-R287 VanDerWaalsContact CE1-NH1 3.31Å; Y249-R287 PolarHBondContact OH-NH1 3.39Å; Y249-R287 PolarHBondContact OH-NH2 3.22Å; Y249-R287 VanDerWaalsContact OH-NH2 3.09Å; I253-R287 HydrophobicContact CG2-CB 4.3Å; I253-R287 HydrophobicContact CG2-CG 3.97Å; V256-R287 HydrophobicContact CG1-CB 4.32Å; V256-R287 HydrophobicContact CG1-CG 4.04Å; E282-R287 IonicContact OE2-CZ 2.79Å; E282-R287 IonicContact OE2-NE 2.8Å; E282-R287 PolarHBondContact OE2-NE 2.98Å; E282-R287 IonicContact OE2-NH2 3.65Å; E282-R287 PolarHBondContact OE2-NH2 3.06Å; N283-R287 PolarHBondContact O-N 3.43Å; N283-R287 VanDerWaalsContact O-N 3.1Å; V284-R287 PolarHBondContact O-N 3.31Å; L285-R287 VanDerWaalsContact C-N 3.31Å; L285-R287 PolarHBondContact O-N 2.93Å; R287-V289 VanDerWaalsContact C-N 3.34Å; R287-V289 PolarHBondContact O-N 3.48Å; R287-K290 PolarHBondContact O-N 3.26Å; R287-K290 VanDerWaalsContact O-N 3.11Å; R287-L291 HydrophobicContact CG-CD1 4.1Å; R287-L291 WeakPolarHBondContact O-CG 3.46Å; R287-L291 PolarHBondContact O-N 3.05Å |
| 288 | A | 91.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V256 V284 L285 L291 G292 S293 I296 V297 L300 | V256-A288 HydrophobicContact CG1-CB 4Å; V284-A288 PolarHBondContact O-N 3.07Å; L285-A288 PolarHBondContact O-N 3.43Å; A288-L291 PolarHBondContact O-N 3.4Å; A288-G292 PolarHBondContact O-N 3.47Å; A288-S293 PolarHBondContact O-N 3.43Å; A288-I296 HydrophobicContact CB-CB 4.36Å; A288-I296 HydrophobicContact CB-CG2 3.69Å; A288-V297 HydrophobicContact CB-CG2 3.82Å; A288-L300 HydrophobicContact CB-CD1 3.81Å |
| 289 | V | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -35.8 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | L285 M286 R287 L291 G292 V297 A317 L320 A321 L326 I329 L333 | L285-V289 HydrophobicContact CD1-CG2 4.5Å; L285-V289 WeakPolarHBondContact O-CG2 3.49Å; L285-V289 PolarHBondContact O-N 2.85Å; M286-V289 PolarHBondContact O-N 3.28Å; R287-V289 VanDerWaalsContact C-N 3.34Å; R287-V289 PolarHBondContact O-N 3.48Å; V289-L291 PolarHBondContact O-N 2.68Å; V289-G292 PolarHBondContact O-N 3.14Å; V289-V297 HydrophobicContact CG2-CG2 3.83Å; V289-A317 HydrophobicContact CG2-CB 4.39Å; V289-L320 HydrophobicContact CG1-CB 3.82Å; V289-A321 HydrophobicContact CG1-CB 4.08Å; V289-L326 HydrophobicContact CG1-CD1 4.39Å; V289-L326 VanDerWaalsContact O-CD1 3.26Å; V289-L326 WeakPolarHBondContact O-CD1 3.39Å; V289-I329 HydrophobicContact CG1-CG2 4.09Å; V289-I329 HydrophobicContact CG2-CG2 3.88Å; V289-L333 HydrophobicContact CG2-CD1 4.32Å |
| 290 | K | 90.6 | Very high | 86.5 | Confident | 39 Ų | 39 | 35 Ų | 35 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.7 | -26.9 | 173.5 | -73.6 | -175.1 | -170.4 | -170.6 | 0 | 112.8 | E282 M286 R287 D311 L320 K324 | E282-K290 WeakPolarHBondContact OE1-CE 3.35Å; E282-K290 IonicContact OE1-NZ 2.8Å; E282-K290 PolarHBondContact OE1-NZ 3.06Å; M286-K290 WeakPolarHBondContact O-CG 3.42Å; M286-K290 PolarHBondContact O-N 3.06Å; R287-K290 PolarHBondContact O-N 3.26Å; R287-K290 VanDerWaalsContact O-N 3.11Å; K290-D311 IonicContact NZ-OD2 3.17Å; K290-D311 PolarHBondContact NZ-OD2 3.38Å; K290-L320 HydrophobicContact CD-CD1 4.3Å; K290-L320 VanDerWaalsContact CE-CD1 3.41Å; K290-L320 HydrophobicContact CG-CD1 3.89Å; K290-L320 HydrophobicContact CG-CD2 4.31Å; K290-K324 WeakPolarHBondContact O-CE 3.22Å; K290-K324 PolarHBondContact O-NZ 2.95Å |
| 291 | L | 90.7 | Very high | 87.9 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 37% | 0.372 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -89.3 | -23 | 177.1 | -63.8 | 168.4 | 0 | 0 | 0 | 113.4 | V256 R287 A288 V289 | V256-L291 HydrophobicContact CG1-CD1 3.89Å; V256-L291 WeakPolarHBondContact O-CD1 3.41Å; R287-L291 HydrophobicContact CG-CD1 4.1Å; R287-L291 WeakPolarHBondContact O-CG 3.46Å; R287-L291 PolarHBondContact O-N 3.05Å; A288-L291 PolarHBondContact O-N 3.4Å; V289-L291 PolarHBondContact O-N 2.68Å |
| 292 | G | 89.9 | Confident | 89 | Confident | 29 Ų | 29 | 31.3 Ų | 31.3 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 15.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A288 V289 L294 | A288-G292 PolarHBondContact O-N 3.47Å; V289-G292 PolarHBondContact O-N 3.14Å; G292-L294 PolarHBondContact O-N 2.97Å |
| 293 | S | 91.5 | Very high | 89.5 | Confident | 32 Ų | 32 | 35.5 Ų | 35.5 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | trans | -79.3 | 86.6 | -174.9 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | A288 E295 I296 V297 | A288-S293 PolarHBondContact O-N 3.43Å; S293-E295 VanDerWaalsContact C-N 3.33Å; S293-E295 PolarHBondContact O-N 2.97Å; S293-I296 PolarHBondContact O-N 3.47Å; S293-I296 VanDerWaalsContact O-N 3.16Å; S293-V297 WeakPolarHBondContact O-CG2 3.42Å; S293-V297 PolarHBondContact O-N 2.89Å | ||
| 294 | L | 91.9 | Very high | 89.3 | Confident | 48 Ų | 48 | 44 Ų | 44 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52.5 | -45.4 | -176 | -176.4 | 150 | 0 | 0 | 0 | 113.5 | G292 V297 R298 E328 I329 L332 | G292-L294 PolarHBondContact O-N 2.97Å; L294-V297 PolarHBondContact O-N 3.47Å; L294-R298 PolarHBondContact O-N 3.21Å; L294-E328 HydrophobicContact CD1-CB 3.72Å; L294-E328 WeakPolarHBondContact CD1-OE2 3.42Å; L294-I329 HydrophobicContact CB-CG1 4.3Å; L294-L332 HydrophobicContact CD1-CD1 3.95Å; L294-L332 HydrophobicContact CD2-CD1 3.92Å; L294-L332 HydrophobicContact CG-CD1 3.63Å |
| 295 | E | 92.4 | Very high | 89 | Confident | 128 Ų | 128 | 44.2 Ų | 44.2 | 60% | 0.598 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.5 | -42.4 | -179.6 | -63.6 | 173 | -173.8 | 0 | 0 | 111.9 | T261 S293 R298 L299 | T261-E295 HydrophobicContact CG2-CB 3.62Å; S293-E295 VanDerWaalsContact C-N 3.33Å; S293-E295 PolarHBondContact O-N 2.97Å; E295-R298 PolarHBondContact O-N 3.1Å; E295-L299 WeakPolarHBondContact O-CG 3.26Å; E295-L299 PolarHBondContact O-N 3.27Å |
| 296 | I | 92.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.5 | -61.8 | -177.5 | 0 | 0 | 0 | 110.5 | V256 T261 V264 A288 S293 R298 L299 L300 | V256-I296 HydrophobicContact CG1-CG2 4.3Å; V256-I296 HydrophobicContact CG2-CG2 3.82Å; T261-I296 HydrophobicContact CG2-CD1 4.47Å; T261-I296 HydrophobicContact CG2-CG1 3.59Å; V264-I296 HydrophobicContact CG1-CG2 4.48Å; V264-I296 HydrophobicContact CG2-CD1 4.45Å; A288-I296 HydrophobicContact CB-CB 4.36Å; A288-I296 HydrophobicContact CB-CG2 3.69Å; S293-I296 PolarHBondContact O-N 3.47Å; S293-I296 VanDerWaalsContact O-N 3.16Å; I296-R298 VanDerWaalsContact C-N 3.34Å; I296-R298 PolarHBondContact O-N 3.45Å; I296-L299 PolarHBondContact O-N 3.38Å; I296-L300 HydrophobicContact CG2-CD1 3.77Å; I296-L300 HydrophobicContact CG2-CG 4.33Å; I296-L300 WeakPolarHBondContact O-CB 3.26Å; I296-L300 WeakPolarHBondContact O-CD1 3.44Å; I296-L300 WeakPolarHBondContact O-CG 3.49Å; I296-L300 PolarHBondContact O-N 2.91Å |
| 297 | V | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 175.2 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | L285 A288 V289 S293 L294 L300 L301 I329 | L285-V297 HydrophobicContact CD1-CG1 4.12Å; L285-V297 HydrophobicContact CD1-CG2 4.5Å; A288-V297 HydrophobicContact CB-CG2 3.82Å; V289-V297 HydrophobicContact CG2-CG2 3.83Å; S293-V297 WeakPolarHBondContact O-CG2 3.42Å; S293-V297 PolarHBondContact O-N 2.89Å; L294-V297 PolarHBondContact O-N 3.47Å; V297-L300 PolarHBondContact O-N 3.42Å; V297-L301 HydrophobicContact CG1-CD1 3.8Å; V297-L301 HydrophobicContact CG1-CG 4.43Å; V297-L301 VanDerWaalsContact O-CG 3.29Å; V297-L301 WeakPolarHBondContact O-CG 3.35Å; V297-L301 PolarHBondContact O-N 3.42Å; V297-I329 HydrophobicContact CG1-CG2 4.35Å; V297-I329 HydrophobicContact CG2-CD1 4.33Å; V297-I329 HydrophobicContact CG2-CG1 4.45Å; V297-I329 HydrophobicContact CG2-CG2 4.44Å |
| 298 | R | 92.7 | Very high | 88.6 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 40% | 0.404 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.8 | -53.8 | 175.4 | -177.4 | -176.3 | -58.6 | -73.1 | 1 | 111.6 | L294 E295 I296 L300 L301 E302 | L294-R298 PolarHBondContact O-N 3.21Å; E295-R298 PolarHBondContact O-N 3.1Å; I296-R298 VanDerWaalsContact C-N 3.34Å; I296-R298 PolarHBondContact O-N 3.45Å; R298-L300 PolarHBondContact O-N 3.26Å; R298-L301 PolarHBondContact O-N 3.3Å; R298-L301 VanDerWaalsContact O-N 3.11Å; R298-E302 WeakPolarHBondContact CD-OE1 3.38Å; R298-E302 WeakPolarHBondContact CG-OE1 3.18Å; R298-E302 WeakPolarHBondContact O-CG 3.49Å; R298-E302 PolarHBondContact O-N 2.93Å |
| 299 | L | 90 | Very high | 88.4 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -33.5 | 179.3 | -71.9 | 169.7 | 0 | 0 | 0 | 112.8 | T261 E295 I296 K303 | T261-L299 HydrophobicContact CG2-CD1 4.13Å; E295-L299 WeakPolarHBondContact O-CG 3.26Å; E295-L299 PolarHBondContact O-N 3.27Å; I296-L299 PolarHBondContact O-N 3.38Å; L299-K303 WeakPolarHBondContact O-CG 3.43Å |
| 300 | L | 90 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.6 | -40.3 | 176 | -69.8 | 167.7 | 0 | 0 | 0 | 112.4 | V264 L268 V274 V284 L285 A288 I296 V297 R298 E302 K303 V305 | V264-L300 HydrophobicContact CG1-CD2 4.48Å; L268-L300 HydrophobicContact CD1-CD2 4.05Å; V274-L300 HydrophobicContact CG1-CD2 3.61Å; V284-L300 HydrophobicContact CG1-CD1 3.97Å; V284-L300 HydrophobicContact CG1-CD2 3.86Å; L285-L300 HydrophobicContact CD1-CB 4.21Å; L285-L300 HydrophobicContact CD1-CD1 4.4Å; A288-L300 HydrophobicContact CB-CD1 3.81Å; I296-L300 HydrophobicContact CG2-CD1 3.77Å; I296-L300 HydrophobicContact CG2-CG 4.33Å; I296-L300 WeakPolarHBondContact O-CB 3.26Å; I296-L300 WeakPolarHBondContact O-CD1 3.44Å; I296-L300 WeakPolarHBondContact O-CG 3.49Å; I296-L300 PolarHBondContact O-N 2.91Å; V297-L300 PolarHBondContact O-N 3.42Å; R298-L300 PolarHBondContact O-N 3.26Å; L300-E302 VanDerWaalsContact C-N 3.34Å; L300-K303 PolarHBondContact O-N 2.86Å; L300-V305 HydrophobicContact CB-CG2 4.36Å; L300-V305 WeakPolarHBondContact O-CG2 3.47Å |
| 301 | L | 89 | Confident | 87.9 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.5 | -70.3 | 167.8 | 0 | 0 | 0 | 111.7 | L285 V297 R298 K303 H304 I307 L333 H336 | L285-L301 HydrophobicContact CD1-CG 4.48Å; L285-L301 HydrophobicContact CD2-CD2 4.29Å; V297-L301 HydrophobicContact CG1-CD1 3.8Å; V297-L301 HydrophobicContact CG1-CG 4.43Å; V297-L301 VanDerWaalsContact O-CG 3.29Å; V297-L301 WeakPolarHBondContact O-CG 3.35Å; V297-L301 PolarHBondContact O-N 3.42Å; R298-L301 PolarHBondContact O-N 3.3Å; R298-L301 VanDerWaalsContact O-N 3.11Å; L301-K303 PolarHBondContact O-N 3.47Å; L301-K303 VanDerWaalsContact O-N 3.15Å; L301-H304 PolarHBondContact O-N 2.89Å; L301-I307 HydrophobicContact CD2-CD1 3.6Å; L301-I307 HydrophobicContact CD2-CG1 3.8Å; L301-L333 HydrophobicContact CD1-CD2 4.34Å; L301-L333 HydrophobicContact CD2-CD2 4.29Å; L301-H336 HydrophobicContact CD2-CB 4.49Å |
| 302 | E | 87.5 | Confident | 87.6 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.3 | 173.9 | -72.4 | 172.1 | -168.4 | 0 | 0 | 114 | R298 L300 | R298-E302 WeakPolarHBondContact CD-OE1 3.38Å; R298-E302 WeakPolarHBondContact CG-OE1 3.18Å; R298-E302 WeakPolarHBondContact O-CG 3.49Å; R298-E302 PolarHBondContact O-N 2.93Å; L300-E302 VanDerWaalsContact C-N 3.34Å |
| 303 | K | 80.9 | Confident | 87.4 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 21.9 | 174.4 | -55 | -58.2 | -179.9 | -174.2 | 0 | 113.4 | L268 L299 L300 L301 V305 | L268-K303 HydrophobicContact CD1-CG 4.3Å; L299-K303 WeakPolarHBondContact O-CG 3.43Å; L300-K303 PolarHBondContact O-N 2.86Å; L301-K303 PolarHBondContact O-N 3.47Å; L301-K303 VanDerWaalsContact O-N 3.15Å; K303-V305 PolarHBondContact O-N 2.8Å |
| 304 | H | 74.2 | Confident | 87.2 | Confident | 179 Ų | 179 | 56.5 Ų | 56.5 | 83% | 0.829 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 39.7 | 174 | -55.1 | -53.5 | 0 | 0 | 0 | 115 | L301 | L301-H304 PolarHBondContact O-N 2.89Š|
| 305 | V | 81.4 | Confident | 87.1 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | trans | -69.2 | 142.2 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | V274 L285 L300 K303 I307 | V274-V305 HydrophobicContact CB-CG2 3.84Å; V274-V305 HydrophobicContact CG1-CG1 4.17Å; V274-V305 HydrophobicContact CG1-CG2 3.45Å; V274-V305 VanDerWaalsContact CG1-CG2 3.45Å; V274-V305 HydrophobicContact CG2-CG2 4.02Å; L285-V305 HydrophobicContact CB-CG1 4.03Å; L285-V305 HydrophobicContact CD2-CG1 4.27Å; L300-V305 HydrophobicContact CB-CG2 4.36Å; L300-V305 WeakPolarHBondContact O-CG2 3.47Å; K303-V305 PolarHBondContact O-N 2.8Å; V305-I307 WeakPolarHBondContact O-CG1 3.07Å; V305-I307 PolarHBondContact O-N 3.27Å; V305-I307 VanDerWaalsContact O-N 3.08Å | ||
| 306 | N | 83.8 | Confident | 87.1 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | trans | -66.2 | 109.5 | 176.5 | -175.7 | -2.4 | 0 | 0 | 0 | 111.3 | D308 | N306-D308 PolarHBondContact OD1-N 3.18Å; N306-D308 VanDerWaalsContact OD1-N 3.07Å | ||
| 307 | I | 86.1 | Confident | 87.1 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -29.8 | -175.5 | -42.9 | 179.6 | 0 | 0 | 0 | 111.9 | L285 L301 V305 Y309 L333 H336 P338 | L285-I307 HydrophobicContact CD2-CG2 4.3Å; L301-I307 HydrophobicContact CD2-CD1 3.6Å; L301-I307 HydrophobicContact CD2-CG1 3.8Å; V305-I307 WeakPolarHBondContact O-CG1 3.07Å; V305-I307 PolarHBondContact O-N 3.27Å; V305-I307 VanDerWaalsContact O-N 3.08Å; I307-Y309 VanDerWaalsContact C-N 3.26Å; I307-Y309 PolarHBondContact O-N 3.05Å; I307-L333 HydrophobicContact CG2-CD2 3.71Å; I307-H336 HydrophobicContact CD1-CB 3.4Å; I307-P338 HydrophobicContact CB-CB 4.46Å; I307-P338 HydrophobicContact CG2-CB 3.92Å |
| 308 | D | 87.9 | Confident | 87.2 | Confident | 52 Ų | 52 | 49.9 Ų | 49.9 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 3.3 | -175.5 | -77 | -12 | 0 | 0 | 0 | 113.3 | N306 Q310 N339 L342 | N306-D308 PolarHBondContact OD1-N 3.18Å; N306-D308 VanDerWaalsContact OD1-N 3.07Å; D308-Q310 PolarHBondContact O-N 3.11Å; D308-N339 PolarHBondContact OD1-N 2.91Å; D308-N339 WeakPolarHBondContact OD2-CB 3.24Å; D308-N339 PolarHBondContact OD2-N 3.39Å; D308-L342 HydrophobicContact CB-CD1 3.71Å |
| 309 | Y | 87.5 | Confident | 87.2 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 17% | 0.173 | 21% | 0.213 | C | C | . | . | trans | -56.8 | 127 | 176.2 | -175.4 | -85.7 | 0 | 0 | 0 | 111.8 | M276 N283 M286 I307 T316 | M276-Y309 HydrophobicContact SD-CE2 3.45Å; M276-Y309 WeakPolarHBondContact SD-CE2 3.5Å; M276-Y309 PolarHBondContact SD-OH 3.02Å; N283-Y309 HydrophobicContact CB-CD1 3.65Å; N283-Y309 HydrophobicContact CB-CE1 4.1Å; N283-Y309 HydrophobicContact CB-CG 3.91Å; M286-Y309 HydrophobicContact CG-CD1 4.34Å; I307-Y309 VanDerWaalsContact C-N 3.26Å; I307-Y309 PolarHBondContact O-N 3.05Å; Y309-T316 WeakPolarHBondContact O-CA 3.37Å | ||
| 310 | Q | 87.4 | Confident | 87.3 | Confident | 79 Ų | 79 | 43.6 Ų | 43.6 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | trans | -98.4 | 133.6 | 178.6 | -65.3 | -173.5 | -78.1 | 0 | 0 | 111.7 | D308 G314 R315 T316 K343 | D308-Q310 PolarHBondContact O-N 3.11Å; Q310-G314 PolarHBondContact NE2-O 2.78Å; Q310-R315 CarbonylContact C-O 3.55Å; Q310-R315 VanDerWaalsContact CA-O 3.31Å; Q310-R315 WeakPolarHBondContact CA-O 3.09Å; Q310-T316 HydrophobicContact CG-CG2 3.84Å; Q310-K343 PolarHBondContact NE2-O 3.3Å | ||
| 311 | D | 86.1 | Confident | 87.6 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | trans | -78.6 | -176.3 | 172.9 | 74.1 | 6.4 | 0 | 0 | 0 | 113.1 | R281 M286 K290 E313 G314 R315 | R281-D311 WeakPolarHBondContact O-CA 3.45Å; R281-D311 WeakPolarHBondContact O-CB 3.29Å; M286-D311 HydrophobicContact CE-CB 3.71Å; K290-D311 IonicContact NZ-OD2 3.17Å; K290-D311 PolarHBondContact NZ-OD2 3.38Å; D311-E313 PolarHBondContact O-N 3.15Å; D311-E313 WeakPolarHBondContact OD1-CA 3.1Å; D311-E313 WeakPolarHBondContact OD1-CB 3.43Å; D311-E313 PolarHBondContact OD1-N 3.06Å; D311-G314 WeakPolarHBondContact O-CA 3.31Å; D311-G314 PolarHBondContact O-N 2.77Å; D311-G314 PolarHBondContact OD1-N 3.33Å; D311-R315 PolarHBondContact N-O 3.19Å; D311-R315 WeakPolarHBondContact OD1-CB 3.29Å; D311-R315 PolarHBondContact OD1-N 3.43Å; D311-R315 IonicContact OD1-NE 3.47Å; D311-R315 PolarHBondContact OD1-NE 2.76Å; D311-R315 IonicContact OD1-NH2 2.76Å; D311-R315 IonicContact OD2-CZ 2.78Å; D311-R315 VanDerWaalsContact OD2-CZ 3.24Å; D311-R315 IonicContact OD2-NE 2.68Å; D311-R315 PolarHBondContact OD2-NE 2.77Å; D311-R315 IonicContact OD2-NH2 2.94Å; D311-R315 PolarHBondContact OD2-NH2 2.89Å | ||
| 312 | H | 84.7 | Confident | 87.8 | Confident | 89 Ų | 89 | 43.3 Ų | 43.3 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -5.2 | 179 | 65.1 | -98 | 0 | 0 | 0 | 115.3 | R281 H345 | R281-H312 HydrophobicContact CB-CB 4.05Å; H312-H345 PolarHBondContact O-CE1 3.01Å; H312-H345 PolarHBondContact O-ND1 3.22Å |
| 313 | E | 85.5 | Confident | 88 | Confident | 74 Ų | 74 | 40.9 Ų | 40.9 | 35% | 0.346 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 11.8 | 168.8 | -69.4 | 175.8 | -120.9 | 0 | 0 | 111.7 | D311 R315 N344 H345 | D311-E313 PolarHBondContact O-N 3.15Å; D311-E313 WeakPolarHBondContact OD1-CA 3.1Å; D311-E313 WeakPolarHBondContact OD1-CB 3.43Å; D311-E313 PolarHBondContact OD1-N 3.06Å; E313-R315 HydrophobicContact CB-CG 4.03Å; E313-R315 VanDerWaalsContact CD-NH2 3.25Å; E313-R315 PolarHBondContact O-N 2.94Å; E313-R315 IonicContact OE1-CZ 3.93Å; E313-R315 IonicContact OE1-NH1 2.71Å; E313-R315 PolarHBondContact OE1-NH1 2.7Å; E313-R315 IonicContact OE1-NH2 2.73Å; E313-R315 PolarHBondContact OE1-NH2 3.1Å; E313-R315 IonicContact OE2-CZ 2.77Å; E313-R315 VanDerWaalsContact OE2-CZ 3.25Å; E313-R315 IonicContact OE2-NE 3.22Å; E313-R315 IonicContact OE2-NH1 3.21Å; E313-R315 PolarHBondContact OE2-NH1 3.09Å; E313-R315 IonicContact OE2-NH2 2.88Å; E313-N344 CarbonylContact O-C 3.6Å; E313-N344 WeakPolarHBondContact O-CB 3.49Å; E313-H345 VanDerWaalsContact C-CG 3.45Å; E313-H345 WeakPolarHBondContact O-CB 3.36Å; E313-H345 PolarHBondContact O-N 3.21Å |
| 314 | G | 87.1 | Confident | 88.5 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 70.3 | 8.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q310 D311 N344 | Q310-G314 PolarHBondContact NE2-O 2.78Å; D311-G314 WeakPolarHBondContact O-CA 3.31Å; D311-G314 PolarHBondContact O-N 2.77Å; D311-G314 PolarHBondContact OD1-N 3.33Å; G314-N344 WeakPolarHBondContact O-CA 3.42Å |
| 315 | R | 90.6 | Very high | 89.4 | Confident | 30 Ų | 30 | 36.6 Ų | 36.6 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | trans | -79.6 | 137.5 | -176.2 | -58.9 | 177.1 | -61.1 | -141.3 | -12.3 | 109.8 | M286 Q310 D311 E313 H319 L320 N344 | M286-R315 WeakPolarHBondContact CE-O 3.13Å; Q310-R315 CarbonylContact C-O 3.55Å; Q310-R315 VanDerWaalsContact CA-O 3.31Å; Q310-R315 WeakPolarHBondContact CA-O 3.09Å; D311-R315 PolarHBondContact N-O 3.19Å; D311-R315 WeakPolarHBondContact OD1-CB 3.29Å; D311-R315 PolarHBondContact OD1-N 3.43Å; D311-R315 IonicContact OD1-NE 3.47Å; D311-R315 PolarHBondContact OD1-NE 2.76Å; D311-R315 IonicContact OD1-NH2 2.76Å; D311-R315 IonicContact OD2-CZ 2.78Å; D311-R315 VanDerWaalsContact OD2-CZ 3.24Å; D311-R315 IonicContact OD2-NE 2.68Å; D311-R315 PolarHBondContact OD2-NE 2.77Å; D311-R315 IonicContact OD2-NH2 2.94Å; D311-R315 PolarHBondContact OD2-NH2 2.89Å; E313-R315 HydrophobicContact CB-CG 4.03Å; E313-R315 VanDerWaalsContact CD-NH2 3.25Å; E313-R315 PolarHBondContact O-N 2.94Å; E313-R315 IonicContact OE1-CZ 3.93Å; E313-R315 IonicContact OE1-NH1 2.71Å; E313-R315 PolarHBondContact OE1-NH1 2.7Å; E313-R315 IonicContact OE1-NH2 2.73Å; E313-R315 PolarHBondContact OE1-NH2 3.1Å; E313-R315 IonicContact OE2-CZ 2.77Å; E313-R315 VanDerWaalsContact OE2-CZ 3.25Å; E313-R315 IonicContact OE2-NE 3.22Å; E313-R315 IonicContact OE2-NH1 3.21Å; E313-R315 PolarHBondContact OE2-NH1 3.09Å; E313-R315 IonicContact OE2-NH2 2.88Å; R315-H319 HydrophobicContact CB-CB 3.85Å; R315-H319 HydrophobicContact CG-CB 4.34Å; R315-L320 HydrophobicContact CB-CD2 4.49Å; R315-N344 HydrophobicContact CG-CB 4.11Å | ||
| 316 | T | 91.7 | Very high | 89.9 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | trans | -89.4 | 174.2 | 167.4 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | M286 Y309 Q310 L318 H319 L320 L342 | M286-T316 VanDerWaalsContact SD-C 3.54Å; Y309-T316 WeakPolarHBondContact O-CA 3.37Å; Q310-T316 HydrophobicContact CG-CG2 3.84Å; T316-L318 PolarHBondContact O-N 3.24Å; T316-H319 PolarHBondContact N-ND1 2.69Å; T316-H319 WeakPolarHBondContact O-CB 3.33Å; T316-H319 PolarHBondContact O-N 2.78Å; T316-H319 VanDerWaalsContact O-N 3.09Å; T316-H319 PolarHBondContact OG1-ND1 3.12Å; T316-L320 PolarHBondContact O-N 3.45Å; T316-L342 HydrophobicContact CG2-CB 4Å; T316-L342 HydrophobicContact CG2-CD1 3.68Å; T316-L342 HydrophobicContact CG2-CG 4.49Å | ||
| 317 | A | 92.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L285 M286 V289 L320 A321 L333 | L285-A317 HydrophobicContact CD2-CB 4.17Å; L285-A317 HydrophobicContact CG-CB 4.28Å; M286-A317 WeakPolarHBondContact SD-CA 3.36Å; M286-A317 HydrophobicContact SD-CB 3.94Å; M286-A317 PolarHBondContact SD-N 2.74Å; V289-A317 HydrophobicContact CG2-CB 4.39Å; A317-L320 PolarHBondContact O-N 2.71Å; A317-A321 PolarHBondContact O-N 3.43Å; A317-A321 VanDerWaalsContact O-N 3.11Å; A317-L333 HydrophobicContact CB-CD1 4.19Å; A317-L333 HydrophobicContact CB-CD2 3.99Å |
| 318 | L | 93.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 178.1 | -169.7 | 58.4 | 0 | 0 | 0 | 112.4 | T316 L320 A321 T322 A330 L333 L334 P338 L340 P350 L366 | T316-L318 PolarHBondContact O-N 3.24Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 3.46Å; L318-A321 WeakPolarHBondContact O-CB 3.43Å; L318-A321 PolarHBondContact O-N 3.27Å; L318-T322 WeakPolarHBondContact O-CG2 3.37Å; L318-T322 PolarHBondContact O-N 3.1Å; L318-A330 HydrophobicContact CD1-CB 4.15Å; L318-L333 HydrophobicContact CD1-CB 4.35Å; L318-L333 HydrophobicContact CD1-CD1 4.41Å; L318-L334 HydrophobicContact CD1-CD2 4.38Å; L318-L334 HydrophobicContact CD1-CG 4.29Å; L318-L334 HydrophobicContact CD2-CD2 3.89Å; L318-P338 HydrophobicContact CD2-CG 4.15Å; L318-L340 HydrophobicContact CD2-CD2 3.52Å; L318-P350 HydrophobicContact CB-CG 4.37Å; L318-P350 HydrophobicContact CD2-CB 4.15Å; L318-P350 HydrophobicContact CD2-CG 4.04Å; L318-P350 HydrophobicContact CG-CB 4.03Å; L318-P350 HydrophobicContact CG-CG 4.13Å; L318-L366 HydrophobicContact CD1-CD2 4.2Å; L318-L366 HydrophobicContact CD2-CD2 3.76Å; L318-L366 HydrophobicContact CG-CD2 4.12Å |
| 319 | H | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.3 | -45 | 174.3 | -73.1 | 86.5 | 0 | 0 | 0 | 111.6 | R315 T316 A321 T322 D323 L342 D348 P350 | R315-H319 HydrophobicContact CB-CB 3.85Å; R315-H319 HydrophobicContact CG-CB 4.34Å; T316-H319 PolarHBondContact N-ND1 2.69Å; T316-H319 WeakPolarHBondContact O-CB 3.33Å; T316-H319 PolarHBondContact O-N 2.78Å; T316-H319 VanDerWaalsContact O-N 3.09Å; T316-H319 PolarHBondContact OG1-ND1 3.12Å; H319-A321 VanDerWaalsContact C-N 3.32Å; H319-A321 PolarHBondContact O-N 3.02Å; H319-T322 PolarHBondContact O-N 3.47Å; H319-T322 VanDerWaalsContact O-N 3.12Å; H319-T322 PolarHBondContact O-OG1 3.38Å; H319-D323 PolarHBondContact O-N 3.21Å; H319-L342 PolarHBondContact CE1-O 3.43Å; H319-L342 VanDerWaalsContact CE1-O 3.3Å; H319-D348 PolarHBondContact NE2-O 2.92Å; H319-D348 VanDerWaalsContact NE2-O 3.1Å; H319-P350 VanDerWaalsContact CE1-CD 3.49Å; H319-P350 WeakPolarHBondContact CE1-CD 3.17Å |
| 320 | L | 92.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 178.5 | -64 | 173.3 | 0 | 0 | 0 | 112.5 | M286 V289 K290 R315 T316 A317 L318 D323 K324 | M286-L320 HydrophobicContact CB-CD1 4.06Å; M286-L320 HydrophobicContact CE-CD1 3.39Å; M286-L320 HydrophobicContact CE-CG 4.19Å; M286-L320 HydrophobicContact CG-CD1 4.5Å; M286-L320 HydrophobicContact SD-CD1 3.65Å; V289-L320 HydrophobicContact CG1-CB 3.82Å; K290-L320 HydrophobicContact CD-CD1 4.3Å; K290-L320 VanDerWaalsContact CE-CD1 3.41Å; K290-L320 HydrophobicContact CG-CD1 3.89Å; K290-L320 HydrophobicContact CG-CD2 4.31Å; R315-L320 HydrophobicContact CB-CD2 4.49Å; T316-L320 PolarHBondContact O-N 3.45Å; A317-L320 PolarHBondContact O-N 2.71Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 3.46Å; L320-D323 PolarHBondContact O-N 3Å; L320-K324 PolarHBondContact O-N 3.45Å |
| 321 | A | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | V289 A317 L318 H319 D323 N325 L326 I329 A330 L333 | V289-A321 HydrophobicContact CG1-CB 4.08Å; A317-A321 PolarHBondContact O-N 3.43Å; A317-A321 VanDerWaalsContact O-N 3.11Å; L318-A321 WeakPolarHBondContact O-CB 3.43Å; L318-A321 PolarHBondContact O-N 3.27Å; H319-A321 VanDerWaalsContact C-N 3.32Å; H319-A321 PolarHBondContact O-N 3.02Å; A321-D323 VanDerWaalsContact C-N 3.34Å; A321-D323 PolarHBondContact O-N 3.43Å; A321-N325 PolarHBondContact O-N 3.18Å; A321-L326 HydrophobicContact CB-CB 4.45Å; A321-L326 PolarHBondContact O-N 3.38Å; A321-I329 HydrophobicContact CB-CG2 4.18Å; A321-A330 HydrophobicContact CB-CB 4.15Å; A321-L333 HydrophobicContact CB-CD1 4.1Å |
| 322 | T | 94.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -32.4 | 175 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | L318 H319 P350 A354 N357 M362 L366 | L318-T322 WeakPolarHBondContact O-CG2 3.37Å; L318-T322 PolarHBondContact O-N 3.1Å; H319-T322 PolarHBondContact O-N 3.47Å; H319-T322 VanDerWaalsContact O-N 3.12Å; H319-T322 PolarHBondContact O-OG1 3.38Å; T322-P350 HydrophobicContact CG2-CB 3.97Å; T322-A354 HydrophobicContact CG2-CB 4.39Å; T322-N357 PolarHBondContact O-ND2 3.28Å; T322-M362 HydrophobicContact CG2-CG 3.72Å; T322-M362 HydrophobicContact CG2-SD 4.07Å; T322-L366 HydrophobicContact CG2-CD1 3.83Å |
| 323 | D | 92 | Very high | 92.2 | Very high | 53 Ų | 53 | 31.7 Ų | 31.7 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -81.9 | -30.6 | -179.5 | -86.4 | -0 | 0 | 0 | 0 | 113.6 | H319 L320 A321 R353 N357 | H319-D323 PolarHBondContact O-N 3.21Å; L320-D323 PolarHBondContact O-N 3Å; A321-D323 VanDerWaalsContact C-N 3.34Å; A321-D323 PolarHBondContact O-N 3.43Å; D323-R353 VanDerWaalsContact CG-CZ 3.46Å; D323-R353 WeakPolarHBondContact OD1-CG 3.41Å; D323-R353 IonicContact OD1-CZ 3.84Å; D323-R353 IonicContact OD1-NE 2.99Å; D323-R353 PolarHBondContact OD1-NE 2.84Å; D323-R353 IonicContact OD1-NH1 3.25Å; D323-R353 IonicContact OD1-NH2 2.86Å; D323-R353 PolarHBondContact OD1-NH2 2.95Å; D323-R353 IonicContact OD2-CZ 2.77Å; D323-R353 VanDerWaalsContact OD2-CZ 3.25Å; D323-R353 IonicContact OD2-NE 3.76Å; D323-R353 PolarHBondContact OD2-NE 3.02Å; D323-R353 IonicContact OD2-NH2 2.71Å; D323-R353 PolarHBondContact OD2-NH2 2.77Å; D323-N357 PolarHBondContact OD1-ND2 2.78Å |
| 324 | K | 91.7 | Very high | 92.6 | Very high | 109 Ų | 109 | 29.2 Ų | 29.2 | 47% | 0.474 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -90.8 | 0.5 | 173.5 | -72.6 | 168.7 | 171.1 | -89.1 | 0 | 113.7 | K290 L320 L326 | K290-K324 WeakPolarHBondContact O-CE 3.22Å; K290-K324 PolarHBondContact O-NZ 2.95Å; L320-K324 PolarHBondContact O-N 3.45Å; K324-L326 VanDerWaalsContact C-N 3.27Å; K324-L326 HydrophobicContact CB-CD1 3.64Å; K324-L326 HydrophobicContact CB-CG 3.66Å; K324-L326 HydrophobicContact CD-CD1 4.2Å; K324-L326 PolarHBondContact O-N 2.98Å |
| 325 | N | 91.4 | Very high | 92.8 | Very high | 88 Ų | 88 | 34.9 Ų | 34.9 | 47% | 0.471 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 39.9 | -175.2 | -172.3 | 28.5 | 0 | 0 | 0 | 113.4 | A321 L327 N359 | A321-N325 PolarHBondContact O-N 3.18Å; N325-L327 PolarHBondContact O-N 3.09Å; N325-L327 VanDerWaalsContact O-N 3.14Å; N325-N359 PolarHBondContact OD1-ND2 3.3Å; N325-N359 PolarHBondContact OD1-OD1 3.11Å |
| 326 | L | 93.5 | Very high | 92.6 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.225 | 19% | 0.186 | C | C | . | . | trans | -88.9 | 76.4 | -177.3 | -61.8 | 168.7 | 0 | 0 | 0 | 110 | V289 A321 K324 E328 I329 A330 | V289-L326 HydrophobicContact CG1-CD1 4.39Å; V289-L326 VanDerWaalsContact O-CD1 3.26Å; V289-L326 WeakPolarHBondContact O-CD1 3.39Å; A321-L326 HydrophobicContact CB-CB 4.45Å; A321-L326 PolarHBondContact O-N 3.38Å; K324-L326 VanDerWaalsContact C-N 3.27Å; K324-L326 HydrophobicContact CB-CD1 3.64Å; K324-L326 HydrophobicContact CB-CG 3.66Å; K324-L326 HydrophobicContact CD-CD1 4.2Å; K324-L326 PolarHBondContact O-N 2.98Å; L326-E328 PolarHBondContact O-N 2.99Å; L326-I329 HydrophobicContact CB-CB 4Å; L326-I329 HydrophobicContact CB-CD1 4.36Å; L326-I329 HydrophobicContact CD1-CD1 4.12Å; L326-I329 PolarHBondContact O-N 3.31Å; L326-A330 WeakPolarHBondContact O-CB 3.44Å; L326-A330 PolarHBondContact O-N 3.27Å | ||
| 327 | L | 92.1 | Very high | 92.4 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.5 | -43.1 | -173.1 | -68 | 168 | 0 | 0 | 0 | 113.5 | N325 A330 S331 P361 M362 L365 | N325-L327 PolarHBondContact O-N 3.09Å; N325-L327 VanDerWaalsContact O-N 3.14Å; L327-A330 WeakPolarHBondContact O-CB 3.48Å; L327-A330 PolarHBondContact O-N 3.23Å; L327-S331 PolarHBondContact O-N 3.21Å; L327-S331 PolarHBondContact O-OG 3.25Å; L327-P361 HydrophobicContact CD1-CB 3.92Å; L327-P361 HydrophobicContact CD2-CB 3.83Å; L327-M362 HydrophobicContact CD2-CB 3.95Å; L327-M362 HydrophobicContact CD2-CE 3.74Å; L327-M362 HydrophobicContact CD2-SD 4.19Å; L327-M362 HydrophobicContact CG-CE 4.32Å; L327-L365 HydrophobicContact CB-CD1 4.42Å; L327-L365 HydrophobicContact CD2-CD1 3.83Å |
| 328 | E | 92.2 | Very high | 92.3 | Very high | 137 Ų | 137 | 45.3 Ų | 45.3 | 64% | 0.64 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69.7 | -37.5 | -179.1 | -61.9 | 172.7 | -178.3 | 0 | 0 | 112.3 | L294 L326 A330 S331 L332 | L294-E328 HydrophobicContact CD1-CB 3.72Å; L294-E328 WeakPolarHBondContact CD1-OE2 3.42Å; L326-E328 PolarHBondContact O-N 2.99Å; E328-A330 VanDerWaalsContact C-N 3.35Å; E328-S331 WeakPolarHBondContact CA-OG 3.46Å; E328-S331 PolarHBondContact O-N 3.09Å; E328-S331 PolarHBondContact O-OG 3.47Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.35Å; E328-L332 PolarHBondContact O-N 2.87Å |
| 329 | I | 94.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.8 | -35.8 | 172.7 | -75.8 | 167.5 | 0 | 0 | 0 | 110.3 | V289 L294 V297 A321 L326 L332 L333 | V289-I329 HydrophobicContact CG1-CG2 4.09Å; V289-I329 HydrophobicContact CG2-CG2 3.88Å; L294-I329 HydrophobicContact CB-CG1 4.3Å; V297-I329 HydrophobicContact CG1-CG2 4.35Å; V297-I329 HydrophobicContact CG2-CD1 4.33Å; V297-I329 HydrophobicContact CG2-CG1 4.45Å; V297-I329 HydrophobicContact CG2-CG2 4.44Å; A321-I329 HydrophobicContact CB-CG2 4.18Å; L326-I329 HydrophobicContact CB-CB 4Å; L326-I329 HydrophobicContact CB-CD1 4.36Å; L326-I329 HydrophobicContact CD1-CD1 4.12Å; L326-I329 PolarHBondContact O-N 3.31Å; I329-L332 PolarHBondContact O-N 3.46Å; I329-L333 HydrophobicContact CG2-CD1 3.88Å; I329-L333 HydrophobicContact CG2-CG 4.36Å; I329-L333 WeakPolarHBondContact O-CB 2.95Å; I329-L333 WeakPolarHBondContact O-CD1 3.4Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 2.91Å |
| 330 | A | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L318 A321 L326 L327 E328 L333 L334 M362 | L318-A330 HydrophobicContact CD1-CB 4.15Å; A321-A330 HydrophobicContact CB-CB 4.15Å; L326-A330 WeakPolarHBondContact O-CB 3.44Å; L326-A330 PolarHBondContact O-N 3.27Å; L327-A330 WeakPolarHBondContact O-CB 3.48Å; L327-A330 PolarHBondContact O-N 3.23Å; E328-A330 VanDerWaalsContact C-N 3.35Å; A330-L333 PolarHBondContact O-N 3.45Å; A330-L334 WeakPolarHBondContact O-CB 3.14Å; A330-L334 WeakPolarHBondContact O-CG 3.35Å; A330-L334 PolarHBondContact O-N 3.47Å; A330-M362 HydrophobicContact CB-CE 3.63Å; A330-M362 HydrophobicContact CB-SD 3.44Å; A330-M362 WeakPolarHBondContact CB-SD 3.08Å |
| 331 | S | 93.7 | Very high | 91.9 | Very high | 38 Ų | 38 | 51 Ų | 51 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 173.7 | 52.8 | 0 | 0 | 0 | 0 | 112 | L327 E328 L333 L334 E335 | L327-S331 PolarHBondContact O-N 3.21Å; L327-S331 PolarHBondContact O-OG 3.25Å; E328-S331 WeakPolarHBondContact CA-OG 3.46Å; E328-S331 PolarHBondContact O-N 3.09Å; E328-S331 PolarHBondContact O-OG 3.47Å; S331-L333 VanDerWaalsContact C-N 3.31Å; S331-L333 PolarHBondContact O-N 3.16Å; S331-L334 PolarHBondContact O-N 2.82Å; S331-L334 VanDerWaalsContact O-N 3.08Å; S331-E335 WeakPolarHBondContact O-CG 3.19Å; S331-E335 PolarHBondContact O-N 3.34Å |
| 332 | L | 92.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 176.4 | -68.9 | 171.7 | 0 | 0 | 0 | 112.9 | L294 E328 I329 H336 | L294-L332 HydrophobicContact CD1-CD1 3.95Å; L294-L332 HydrophobicContact CD2-CD1 3.92Å; L294-L332 HydrophobicContact CG-CD1 3.63Å; E328-L332 VanDerWaalsContact O-CG 3.29Å; E328-L332 WeakPolarHBondContact O-CG 3.35Å; E328-L332 PolarHBondContact O-N 2.87Å; I329-L332 PolarHBondContact O-N 3.46Å; L332-H336 PolarHBondContact O-ND1 3.08Å |
| 333 | L | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 171.5 | -73.4 | 167.6 | 0 | 0 | 0 | 110.8 | L285 V289 L301 I307 A317 L318 A321 I329 A330 S331 E335 H336 P338 | L285-L333 HydrophobicContact CD2-CD2 4.42Å; V289-L333 HydrophobicContact CG2-CD1 4.32Å; L301-L333 HydrophobicContact CD1-CD2 4.34Å; L301-L333 HydrophobicContact CD2-CD2 4.29Å; I307-L333 HydrophobicContact CG2-CD2 3.71Å; A317-L333 HydrophobicContact CB-CD1 4.19Å; A317-L333 HydrophobicContact CB-CD2 3.99Å; L318-L333 HydrophobicContact CD1-CB 4.35Å; L318-L333 HydrophobicContact CD1-CD1 4.41Å; A321-L333 HydrophobicContact CB-CD1 4.1Å; I329-L333 HydrophobicContact CG2-CD1 3.88Å; I329-L333 HydrophobicContact CG2-CG 4.36Å; I329-L333 WeakPolarHBondContact O-CB 2.95Å; I329-L333 WeakPolarHBondContact O-CD1 3.4Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 2.91Å; A330-L333 PolarHBondContact O-N 3.45Å; S331-L333 VanDerWaalsContact C-N 3.31Å; S331-L333 PolarHBondContact O-N 3.16Å; L333-E335 PolarHBondContact O-N 3.31Å; L333-H336 PolarHBondContact O-N 3.37Å; L333-H336 VanDerWaalsContact O-N 3.16Å; L333-P338 WeakPolarHBondContact O-CD 3.36Å |
| 334 | L | 92.5 | Very high | 91.7 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -32.5 | -178.8 | -71.9 | 170.9 | 0 | 0 | 0 | 113.7 | L318 A330 S331 H336 L337 P338 L340 L365 L366 A369 | L318-L334 HydrophobicContact CD1-CD2 4.38Å; L318-L334 HydrophobicContact CD1-CG 4.29Å; L318-L334 HydrophobicContact CD2-CD2 3.89Å; A330-L334 WeakPolarHBondContact O-CB 3.14Å; A330-L334 WeakPolarHBondContact O-CG 3.35Å; A330-L334 PolarHBondContact O-N 3.47Å; S331-L334 PolarHBondContact O-N 2.82Å; S331-L334 VanDerWaalsContact O-N 3.08Å; L334-H336 PolarHBondContact O-N 3.08Å; L334-L337 PolarHBondContact O-N 3.43Å; L334-L337 VanDerWaalsContact O-N 3.09Å; L334-P338 HydrophobicContact CD2-CG 4.21Å; L334-L340 HydrophobicContact CD2-CD2 3.46Å; L334-L340 VanDerWaalsContact CD2-CD2 3.46Å; L334-L365 HydrophobicContact CD1-CB 4.2Å; L334-L366 HydrophobicContact CD1-CD2 4.38Å; L334-L366 HydrophobicContact CD2-CD2 4.31Å; L334-A369 HydrophobicContact CD1-CB 4.12Å; L334-A369 HydrophobicContact CD2-CB 3.77Å; L334-A369 HydrophobicContact CG-CB 4.38Å |
| 335 | E | 91 | Very high | 91.6 | Very high | 122 Ų | 122 | 54.8 Ų | 54.8 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.2 | -27 | 172.1 | -76.5 | 162.4 | -147.6 | 0 | 0 | 112.6 | S331 L333 | S331-E335 WeakPolarHBondContact O-CG 3.19Å; S331-E335 PolarHBondContact O-N 3.34Å; L333-E335 PolarHBondContact O-N 3.31Å |
| 336 | H | 87.6 | Confident | 91.3 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 38% | 0.384 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 16.9 | -180 | -63.3 | 77.6 | 0 | 0 | 0 | 113.7 | L301 I307 L332 L333 L334 | L301-H336 HydrophobicContact CD2-CB 4.49Å; I307-H336 HydrophobicContact CD1-CB 3.4Å; L332-H336 PolarHBondContact O-ND1 3.08Å; L333-H336 PolarHBondContact O-N 3.37Å; L333-H336 VanDerWaalsContact O-N 3.16Å; L334-H336 PolarHBondContact O-N 3.08Å |
| 337 | L | 87.7 | Confident | 91.1 | Very high | 158 Ų | 158 | 53 Ų | 53 | 83% | 0.827 | 27% | 0.267 | S | S | * | . | trans | 53.8 | 56.8 | 171.5 | -56 | 179 | 0 | 0 | 0 | 116.7 | L334 | L334-L337 PolarHBondContact O-N 3.43Å; L334-L337 VanDerWaalsContact O-N 3.09Å | ||
| 338 | P | 90.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -75.2 | 157.4 | 178.1 | 33.1 | -35.6 | 0 | 0 | 0 | 112.4 | I307 L318 L333 L334 L340 | I307-P338 HydrophobicContact CB-CB 4.46Å; I307-P338 HydrophobicContact CG2-CB 3.92Å; L318-P338 HydrophobicContact CD2-CG 4.15Å; L333-P338 WeakPolarHBondContact O-CD 3.36Å; L334-P338 HydrophobicContact CD2-CG 4.21Å; P338-L340 HydrophobicContact CG-CD2 4.21Å; P338-L340 WeakPolarHBondContact O-CD2 3.48Å; P338-L340 PolarHBondContact O-N 3.08Å | ||
| 339 | N | 91.2 | Very high | 91.2 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | trans | -76.1 | 96.5 | -178.9 | -174.6 | -4.3 | 0 | 0 | 0 | 112.1 | D308 E341 L342 | D308-N339 PolarHBondContact OD1-N 2.91Å; D308-N339 WeakPolarHBondContact OD2-CB 3.24Å; D308-N339 PolarHBondContact OD2-N 3.39Å; N339-E341 PolarHBondContact O-N 3.41Å; N339-E341 VanDerWaalsContact O-N 3.11Å; N339-E341 PolarHBondContact OD1-N 2.97Å; N339-L342 HydrophobicContact CB-CD1 3.89Å; N339-L342 HydrophobicContact CB-CG 4.02Å; N339-L342 PolarHBondContact O-N 3.18Å | ||
| 340 | L | 91.7 | Very high | 91.2 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.3 | -177.7 | -48.1 | -178.2 | 0 | 0 | 0 | 114.4 | L318 L334 P338 P350 A369 A371 | L318-L340 HydrophobicContact CD2-CD2 3.52Å; L334-L340 HydrophobicContact CD2-CD2 3.46Å; L334-L340 VanDerWaalsContact CD2-CD2 3.46Å; P338-L340 HydrophobicContact CG-CD2 4.21Å; P338-L340 WeakPolarHBondContact O-CD2 3.48Å; P338-L340 PolarHBondContact O-N 3.08Å; L340-P350 WeakPolarHBondContact O-CD 3.28Å; L340-A369 HydrophobicContact CD1-CB 4.07Å; L340-A369 WeakPolarHBondContact CD1-O 3.34Å; L340-A371 HydrophobicContact CB-CB 4.12Å; L340-A371 HydrophobicContact CD1-CB 3.94Å |
| 341 | E | 89.6 | Confident | 91.2 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.2 | -173.9 | -55.3 | -70.4 | 99.8 | 0 | 0 | 113.2 | N339 N372 T375 | N339-E341 PolarHBondContact O-N 3.41Å; N339-E341 VanDerWaalsContact O-N 3.11Å; N339-E341 PolarHBondContact OD1-N 2.97Å; E341-N372 VanDerWaalsContact CD-CB 3.46Å; E341-N372 WeakPolarHBondContact OE1-CB 3.22Å; E341-N372 PolarHBondContact OE1-N 3.32Å; E341-N372 VanDerWaalsContact OE1-N 3.13Å; E341-N372 WeakPolarHBondContact OE2-CB 3.46Å; E341-N372 PolarHBondContact OE2-ND2 3.4Å; E341-N372 VanDerWaalsContact OE2-ND2 3.09Å; E341-T375 WeakPolarHBondContact OE2-CG2 3.41Å |
| 342 | L | 92.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | trans | -63.1 | 144.7 | 173.2 | -70.7 | 171.5 | 0 | 0 | 0 | 110.8 | D308 T316 H319 N339 | D308-L342 HydrophobicContact CB-CD1 3.71Å; T316-L342 HydrophobicContact CG2-CB 4Å; T316-L342 HydrophobicContact CG2-CD1 3.68Å; T316-L342 HydrophobicContact CG2-CG 4.49Å; H319-L342 PolarHBondContact CE1-O 3.43Å; H319-L342 VanDerWaalsContact CE1-O 3.3Å; N339-L342 HydrophobicContact CB-CD1 3.89Å; N339-L342 HydrophobicContact CB-CG 4.02Å; N339-L342 PolarHBondContact O-N 3.18Å | ||
| 343 | K | 91.8 | Very high | 91.3 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | trans | -121.7 | 138.4 | -172 | -66.7 | -177.7 | 178.5 | -166.5 | 0 | 112.4 | Q310 G347 D348 T349 T376 | Q310-K343 PolarHBondContact NE2-O 3.3Å; K343-G347 WeakPolarHBondContact CD-O 3.46Å; K343-D348 VanDerWaalsContact CA-O 3.31Å; K343-D348 WeakPolarHBondContact CA-O 3.48Å; K343-T349 HydrophobicContact CG-CG2 3.82Å; K343-T376 PolarHBondContact NZ-O 2.92Å | ||
| 344 | N | 91.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | trans | -76.1 | -177.8 | 172.8 | 86.5 | -22.4 | 0 | 0 | 0 | 112.6 | E313 G314 R315 D346 G347 D348 | E313-N344 CarbonylContact O-C 3.6Å; E313-N344 WeakPolarHBondContact O-CB 3.49Å; G314-N344 WeakPolarHBondContact O-CA 3.42Å; R315-N344 HydrophobicContact CG-CB 4.11Å; N344-D346 PolarHBondContact ND2-OD2 3.27Å; N344-D346 PolarHBondContact O-N 3.5Å; N344-D346 WeakPolarHBondContact OD1-CA 3.38Å; N344-D346 WeakPolarHBondContact OD1-CB 3.5Å; N344-D346 PolarHBondContact OD1-N 3.2Å; N344-G347 WeakPolarHBondContact O-CA 3.48Å; N344-G347 PolarHBondContact O-N 3.39Å; N344-G347 PolarHBondContact OD1-N 3.22Å; N344-G347 VanDerWaalsContact OD1-N 3.11Å; N344-D348 PolarHBondContact N-O 2.93Å; N344-D348 PolarHBondContact OD1-N 3.22Å; N344-D348 PolarHBondContact OD1-O 2.89Å | ||
| 345 | H | 89.7 | Confident | 91.4 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10 | 176.7 | -77.5 | -171.4 | 0 | 0 | 0 | 115 | H312 E313 K378 | H312-H345 PolarHBondContact O-CE1 3.01Å; H312-H345 PolarHBondContact O-ND1 3.22Å; E313-H345 VanDerWaalsContact C-CG 3.45Å; E313-H345 WeakPolarHBondContact O-CB 3.36Å; E313-H345 PolarHBondContact O-N 3.21Å; H345-K378 WeakPolarHBondContact O-CD 3.32Å; H345-K378 WeakPolarHBondContact O-CE 3.37Å; H345-K378 PolarHBondContact O-NZ 3.34Å |
| 346 | D | 86.1 | Confident | 91.4 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 47% | 0.465 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.4 | 166.9 | -50.8 | -59 | 0 | 0 | 0 | 112.4 | N344 D348 K378 | N344-D346 PolarHBondContact ND2-OD2 3.27Å; N344-D346 PolarHBondContact O-N 3.5Å; N344-D346 WeakPolarHBondContact OD1-CA 3.38Å; N344-D346 WeakPolarHBondContact OD1-CB 3.5Å; N344-D346 PolarHBondContact OD1-N 3.2Å; D346-D348 VanDerWaalsContact C-N 3.28Å; D346-K378 WeakPolarHBondContact O-CB 3.45Å; D346-K378 VanDerWaalsContact O-CG 3.27Å; D346-K378 WeakPolarHBondContact O-CG 3.39Å; D346-K378 PolarHBondContact O-N 3.04Å |
| 347 | G | 88.4 | Confident | 91.6 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 82 | 1.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | K343 N344 D377 | K343-G347 WeakPolarHBondContact CD-O 3.46Å; N344-G347 WeakPolarHBondContact O-CA 3.48Å; N344-G347 PolarHBondContact O-N 3.39Å; N344-G347 PolarHBondContact OD1-N 3.22Å; N344-G347 VanDerWaalsContact OD1-N 3.11Å; G347-D377 WeakPolarHBondContact O-CA 3.33Å |
| 348 | D | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -67.1 | 135.6 | 174.7 | -88.1 | 3.7 | 0 | 0 | 0 | 110.1 | H319 K343 N344 D346 L352 R353 R356 D377 | H319-D348 PolarHBondContact NE2-O 2.92Å; H319-D348 VanDerWaalsContact NE2-O 3.1Å; K343-D348 VanDerWaalsContact CA-O 3.31Å; K343-D348 WeakPolarHBondContact CA-O 3.48Å; N344-D348 PolarHBondContact N-O 2.93Å; N344-D348 PolarHBondContact OD1-N 3.22Å; N344-D348 PolarHBondContact OD1-O 2.89Å; D346-D348 VanDerWaalsContact C-N 3.28Å; D348-L352 HydrophobicContact CB-CB 3.99Å; D348-L352 WeakPolarHBondContact OD1-CB 3.46Å; D348-R353 HydrophobicContact CB-CB 4.36Å; D348-R356 IonicContact OD1-CZ 2.71Å; D348-R356 IonicContact OD1-NE 2.91Å; D348-R356 IonicContact OD1-NH2 3.02Å; D348-R356 PolarHBondContact OD1-NH2 3Å; D348-R356 IonicContact OD2-CZ 3.24Å; D348-R356 IonicContact OD2-NE 3.25Å; D348-R356 PolarHBondContact OD2-NE 3.28Å; D348-R356 IonicContact OD2-NH2 3.58Å; D348-R356 PolarHBondContact OD2-NH2 3.42Å; D348-D377 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 349 | T | 93.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -83.5 | 168.4 | 158 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | K343 L351 L352 R353 T375 | K343-T349 HydrophobicContact CG-CG2 3.82Å; T349-L351 PolarHBondContact O-N 3.17Å; T349-L351 VanDerWaalsContact O-N 3.15Å; T349-L352 HydrophobicContact CG2-CD1 4.39Å; T349-L352 PolarHBondContact O-N 3.47Å; T349-L352 VanDerWaalsContact O-N 3.1Å; T349-L352 PolarHBondContact OG1-N 2.87Å; T349-R353 WeakPolarHBondContact O-CB 3.31Å; T349-R353 PolarHBondContact O-N 3.5Å; T349-T375 HydrophobicContact CG2-CG2 4.04Å; T349-T375 PolarHBondContact OG1-OG1 3.31Å | ||
| 350 | P | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.9 | -33.6 | 174.9 | -25.2 | 35.5 | 0 | 0 | 0 | 112.9 | L318 H319 T322 L340 A354 L366 | L318-P350 HydrophobicContact CB-CG 4.37Å; L318-P350 HydrophobicContact CD2-CB 4.15Å; L318-P350 HydrophobicContact CD2-CG 4.04Å; L318-P350 HydrophobicContact CG-CB 4.03Å; L318-P350 HydrophobicContact CG-CG 4.13Å; H319-P350 VanDerWaalsContact CE1-CD 3.49Å; H319-P350 WeakPolarHBondContact CE1-CD 3.17Å; T322-P350 HydrophobicContact CG2-CB 3.97Å; L340-P350 WeakPolarHBondContact O-CD 3.28Å; P350-A354 VanDerWaalsContact O-CB 3.28Å; P350-A354 WeakPolarHBondContact O-CB 3.37Å; P350-A354 PolarHBondContact O-N 3.31Å; P350-L366 HydrophobicContact CB-CD1 4.12Å; P350-L366 HydrophobicContact CB-CD2 4.08Å; P350-L366 WeakPolarHBondContact O-CD1 3.24Å |
| 351 | L | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.5 | -45.5 | 176.3 | -177.6 | 65.2 | 0 | 0 | 0 | 111.9 | T349 R353 A354 V355 A363 L366 A371 V373 L399 | T349-L351 PolarHBondContact O-N 3.17Å; T349-L351 VanDerWaalsContact O-N 3.15Å; L351-R353 VanDerWaalsContact C-N 3.3Å; L351-R353 PolarHBondContact O-N 3.23Å; L351-A354 PolarHBondContact O-N 2.95Å; L351-V355 VanDerWaalsContact O-CG2 3.27Å; L351-V355 WeakPolarHBondContact O-CG2 3.26Å; L351-V355 PolarHBondContact O-N 3.06Å; L351-A363 HydrophobicContact CD1-CB 4.38Å; L351-L366 HydrophobicContact CD1-CB 4.1Å; L351-A371 HydrophobicContact CB-CB 4.03Å; L351-A371 HydrophobicContact CD2-CB 4.05Å; L351-A371 HydrophobicContact CG-CB 4.5Å; L351-V373 HydrophobicContact CD2-CG2 4.28Å; L351-L399 HydrophobicContact CD1-CD2 4.3Å; L351-L399 HydrophobicContact CD2-CD2 4.41Å |
| 352 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 173.7 | -75.3 | 163.9 | 0 | 0 | 0 | 110.6 | D348 T349 V355 R356 D377 D381 S383 I386 | D348-L352 HydrophobicContact CB-CB 3.99Å; D348-L352 WeakPolarHBondContact OD1-CB 3.46Å; T349-L352 HydrophobicContact CG2-CD1 4.39Å; T349-L352 PolarHBondContact O-N 3.47Å; T349-L352 VanDerWaalsContact O-N 3.1Å; T349-L352 PolarHBondContact OG1-N 2.87Å; L352-V355 PolarHBondContact O-N 3.01Å; L352-R356 WeakPolarHBondContact O-CB 3.44Å; L352-R356 PolarHBondContact O-N 2.98Å; L352-D377 HydrophobicContact CD1-CB 4.26Å; L352-D381 WeakPolarHBondContact CD2-O 3.33Å; L352-S383 VanDerWaalsContact CD2-N 3.35Å; L352-I386 HydrophobicContact CB-CD1 4.5Å; L352-I386 HydrophobicContact CD2-CD1 3.68Å |
| 353 | R | 93.8 | Very high | 92.3 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 19% | 0.189 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 179.1 | -160.9 | 77 | -174.8 | 83.5 | 9.6 | 112.4 | D323 D348 T349 L351 V355 R356 N357 | D323-R353 VanDerWaalsContact CG-CZ 3.46Å; D323-R353 WeakPolarHBondContact OD1-CG 3.41Å; D323-R353 IonicContact OD1-CZ 3.84Å; D323-R353 IonicContact OD1-NE 2.99Å; D323-R353 PolarHBondContact OD1-NE 2.84Å; D323-R353 IonicContact OD1-NH1 3.25Å; D323-R353 IonicContact OD1-NH2 2.86Å; D323-R353 PolarHBondContact OD1-NH2 2.95Å; D323-R353 IonicContact OD2-CZ 2.77Å; D323-R353 VanDerWaalsContact OD2-CZ 3.25Å; D323-R353 IonicContact OD2-NE 3.76Å; D323-R353 PolarHBondContact OD2-NE 3.02Å; D323-R353 IonicContact OD2-NH2 2.71Å; D323-R353 PolarHBondContact OD2-NH2 2.77Å; D348-R353 HydrophobicContact CB-CB 4.36Å; T349-R353 WeakPolarHBondContact O-CB 3.31Å; T349-R353 PolarHBondContact O-N 3.5Å; L351-R353 VanDerWaalsContact C-N 3.3Å; L351-R353 PolarHBondContact O-N 3.23Å; R353-V355 VanDerWaalsContact C-N 3.33Å; R353-V355 PolarHBondContact O-N 3.21Å; R353-R356 PolarHBondContact O-N 3.42Å; R353-N357 PolarHBondContact NH1-OD1 2.9Å; R353-N357 WeakPolarHBondContact O-CB 3.28Å; R353-N357 VanDerWaalsContact O-CG 3.26Å; R353-N357 PolarHBondContact O-N 3.45Å; R353-N357 PolarHBondContact O-ND2 2.84Å |
| 354 | A | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T322 P350 L351 N357 R358 N359 M362 A363 L366 | T322-A354 HydrophobicContact CG2-CB 4.39Å; P350-A354 VanDerWaalsContact O-CB 3.28Å; P350-A354 WeakPolarHBondContact O-CB 3.37Å; P350-A354 PolarHBondContact O-N 3.31Å; L351-A354 PolarHBondContact O-N 2.95Å; A354-N357 CarbonylContact O-C 3.47Å; A354-N357 PolarHBondContact O-N 2.89Å; A354-R358 PolarHBondContact O-N 2.94Å; A354-R358 VanDerWaalsContact O-N 3.17Å; A354-N359 PolarHBondContact O-N 3.43Å; A354-M362 HydrophobicContact CB-CB 4.17Å; A354-M362 HydrophobicContact CB-CG 3.89Å; A354-A363 HydrophobicContact CB-CB 4.5Å; A354-L366 HydrophobicContact CB-CD1 3.78Å |
| 355 | V | 93.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | L351 L352 R353 N357 R358 A363 I386 A387 M395 L399 | L351-V355 VanDerWaalsContact O-CG2 3.27Å; L351-V355 WeakPolarHBondContact O-CG2 3.26Å; L351-V355 PolarHBondContact O-N 3.06Å; L352-V355 PolarHBondContact O-N 3.01Å; R353-V355 VanDerWaalsContact C-N 3.33Å; R353-V355 PolarHBondContact O-N 3.21Å; V355-N357 VanDerWaalsContact C-N 3.32Å; V355-N357 PolarHBondContact O-N 3.45Å; V355-R358 WeakPolarHBondContact O-CA 3.38Å; V355-R358 PolarHBondContact O-N 2.93Å; V355-A363 HydrophobicContact CG2-CB 4.41Å; V355-I386 HydrophobicContact CG1-CB 3.91Å; V355-I386 HydrophobicContact CG1-CG2 3.9Å; V355-A387 HydrophobicContact CG1-CB 3.86Å; V355-M395 HydrophobicContact CG1-CG 4.11Å; V355-M395 HydrophobicContact CG2-CE 4.41Å; V355-M395 HydrophobicContact CG2-CG 4.18Å; V355-M395 HydrophobicContact CG2-SD 3.88Å; V355-L399 HydrophobicContact CG2-CD1 4.14Å; V355-L399 HydrophobicContact CG2-CD2 4.38Å |
| 356 | R | 91.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 34.3 Ų | 34.3 | 34% | 0.336 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.5 | -160.5 | -177.8 | -63.7 | -95.1 | 1.9 | 111.2 | D348 L352 R353 R358 D377 I386 | D348-R356 IonicContact OD1-CZ 2.71Å; D348-R356 IonicContact OD1-NE 2.91Å; D348-R356 IonicContact OD1-NH2 3.02Å; D348-R356 PolarHBondContact OD1-NH2 3Å; D348-R356 IonicContact OD2-CZ 3.24Å; D348-R356 IonicContact OD2-NE 3.25Å; D348-R356 PolarHBondContact OD2-NE 3.28Å; D348-R356 IonicContact OD2-NH2 3.58Å; D348-R356 PolarHBondContact OD2-NH2 3.42Å; L352-R356 WeakPolarHBondContact O-CB 3.44Å; L352-R356 PolarHBondContact O-N 2.98Å; R353-R356 PolarHBondContact O-N 3.42Å; R356-R358 PolarHBondContact O-N 3.12Å; R356-D377 IonicContact CZ-OD2 3.45Å; R356-D377 IonicContact NH1-OD2 3.85Å; R356-D377 IonicContact NH2-OD2 2.95Å; R356-D377 PolarHBondContact NH2-OD2 2.88Å; R356-I386 HydrophobicContact CB-CG2 4.17Å; R356-I386 HydrophobicContact CG-CG2 4.44Å |
| 357 | N | 91.1 | Very high | 92.7 | Very high | 62 Ų | 62 | 31.5 Ų | 31.5 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 0.6 | 171.6 | -63.8 | -15.6 | 0 | 0 | 0 | 113.6 | T322 D323 R353 A354 V355 N359 | T322-N357 PolarHBondContact O-ND2 3.28Å; D323-N357 PolarHBondContact OD1-ND2 2.78Å; R353-N357 PolarHBondContact NH1-OD1 2.9Å; R353-N357 WeakPolarHBondContact O-CB 3.28Å; R353-N357 VanDerWaalsContact O-CG 3.26Å; R353-N357 PolarHBondContact O-N 3.45Å; R353-N357 PolarHBondContact O-ND2 2.84Å; A354-N357 CarbonylContact O-C 3.47Å; A354-N357 PolarHBondContact O-N 2.89Å; V355-N357 VanDerWaalsContact C-N 3.32Å; V355-N357 PolarHBondContact O-N 3.45Å; N357-N359 HydrophobicContact CB-CB 4.37Å; N357-N359 PolarHBondContact O-N 3.1Å; N357-N359 VanDerWaalsContact O-N 3.1Å |
| 358 | R | 91 | Very high | 92.8 | Very high | 163 Ų | 163 | 38.6 Ų | 38.6 | 62% | 0.615 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 21.3 | -177.2 | -56.7 | -178.3 | 179 | 176.4 | 1.8 | 114.7 | A354 V355 R356 L360 C390 | A354-R358 PolarHBondContact O-N 2.94Å; A354-R358 VanDerWaalsContact O-N 3.17Å; V355-R358 WeakPolarHBondContact O-CA 3.38Å; V355-R358 PolarHBondContact O-N 2.93Å; R356-R358 PolarHBondContact O-N 3.12Å; R358-L360 PolarHBondContact O-N 3.47Å; R358-L360 VanDerWaalsContact O-N 3.09Å; R358-C390 HydrophobicContact CG-CB 4.23Å; R358-C390 PolarHBondContact NE-SG 2.89Å; R358-C390 VanDerWaalsContact NE-SG 3.39Å |
| 359 | N | 92.7 | Very high | 92.7 | Very high | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | trans | -81.5 | 89.5 | -170.4 | -172.9 | -15.5 | 0 | 0 | 0 | 111.1 | N325 A354 N357 P361 M362 A363 | N325-N359 PolarHBondContact OD1-ND2 3.3Å; N325-N359 PolarHBondContact OD1-OD1 3.11Å; A354-N359 PolarHBondContact O-N 3.43Å; N357-N359 HydrophobicContact CB-CB 4.37Å; N357-N359 PolarHBondContact O-N 3.1Å; N357-N359 VanDerWaalsContact O-N 3.1Å; N359-P361 WeakPolarHBondContact OD1-CD 3.49Å; N359-M362 HydrophobicContact CB-CB 4.04Å; N359-M362 VanDerWaalsContact ND2-CB 3.31Å; N359-M362 WeakPolarHBondContact ND2-CB 3.49Å; N359-M362 PolarHBondContact O-N 3.38Å; N359-M362 WeakPolarHBondContact OD1-CB 3.31Å; N359-M362 PolarHBondContact OD1-N 3.3Å; N359-A363 WeakPolarHBondContact O-CB 3.49Å; N359-A363 PolarHBondContact O-N 3.1Å | ||
| 360 | L | 92 | Very high | 92.4 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | -175.2 | -168.4 | 79.5 | 0 | 0 | 0 | 113.1 | R358 M362 A363 Q364 R394 M395 L398 | R358-L360 PolarHBondContact O-N 3.47Å; R358-L360 VanDerWaalsContact O-N 3.09Å; L360-M362 PolarHBondContact O-N 2.87Å; L360-A363 PolarHBondContact O-N 2.87Å; L360-Q364 WeakPolarHBondContact O-CG 3.24Å; L360-Q364 PolarHBondContact O-N 3.44Å; L360-R394 HydrophobicContact CD1-CB 3.88Å; L360-R394 HydrophobicContact CD2-CB 3.85Å; L360-M395 HydrophobicContact CB-CE 4.43Å; L360-M395 HydrophobicContact CD1-CB 4.28Å; L360-M395 HydrophobicContact CD1-CE 4.25Å; L360-M395 HydrophobicContact CD1-SD 4.05Å; L360-L398 HydrophobicContact CD1-CB 4.41Å; L360-L398 HydrophobicContact CD1-CD1 3.53Å; L360-L398 HydrophobicContact CG-CD1 4.13Å |
| 361 | P | 93.6 | Very high | 92.3 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 38% | 0.377 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.7 | -24.2 | 36 | 0 | 0 | 0 | 113.2 | L327 N359 A363 Q364 L365 | L327-P361 HydrophobicContact CD1-CB 3.92Å; L327-P361 HydrophobicContact CD2-CB 3.83Å; N359-P361 WeakPolarHBondContact OD1-CD 3.49Å; P361-A363 PolarHBondContact O-N 3.25Å; P361-Q364 WeakPolarHBondContact O-CB 3.36Å; P361-Q364 PolarHBondContact O-N 3.46Å; P361-Q364 VanDerWaalsContact O-N 3.12Å; P361-L365 PolarHBondContact O-N 2.97Å |
| 362 | M | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.6 | -170.3 | 65.5 | 74.5 | 0 | 0 | 111.7 | T322 L327 A330 A354 N359 L360 Q364 L365 L366 | T322-M362 HydrophobicContact CG2-CG 3.72Å; T322-M362 HydrophobicContact CG2-SD 4.07Å; L327-M362 HydrophobicContact CD2-CB 3.95Å; L327-M362 HydrophobicContact CD2-CE 3.74Å; L327-M362 HydrophobicContact CD2-SD 4.19Å; L327-M362 HydrophobicContact CG-CE 4.32Å; A330-M362 HydrophobicContact CB-CE 3.63Å; A330-M362 HydrophobicContact CB-SD 3.44Å; A330-M362 WeakPolarHBondContact CB-SD 3.08Å; A354-M362 HydrophobicContact CB-CB 4.17Å; A354-M362 HydrophobicContact CB-CG 3.89Å; N359-M362 HydrophobicContact CB-CB 4.04Å; N359-M362 VanDerWaalsContact ND2-CB 3.31Å; N359-M362 WeakPolarHBondContact ND2-CB 3.49Å; N359-M362 PolarHBondContact O-N 3.38Å; N359-M362 WeakPolarHBondContact OD1-CB 3.31Å; N359-M362 PolarHBondContact OD1-N 3.3Å; L360-M362 PolarHBondContact O-N 2.87Å; M362-Q364 VanDerWaalsContact C-N 3.29Å; M362-Q364 PolarHBondContact O-N 2.93Å; M362-L365 PolarHBondContact O-N 3.21Å; M362-L366 HydrophobicContact CG-CD1 4Å; M362-L366 WeakPolarHBondContact O-CB 3.46Å; M362-L366 VanDerWaalsContact O-CG 3.26Å; M362-L366 WeakPolarHBondContact O-CG 3.47Å; M362-L366 PolarHBondContact O-N 3.31Å |
| 363 | A | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -29.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L351 A354 V355 N359 L360 P361 K367 M395 L398 | L351-A363 HydrophobicContact CD1-CB 4.38Å; A354-A363 HydrophobicContact CB-CB 4.5Å; V355-A363 HydrophobicContact CG2-CB 4.41Å; N359-A363 WeakPolarHBondContact O-CB 3.49Å; N359-A363 PolarHBondContact O-N 3.1Å; L360-A363 PolarHBondContact O-N 2.87Å; P361-A363 PolarHBondContact O-N 3.25Å; A363-K367 VanDerWaalsContact O-CB 3.31Å; A363-K367 WeakPolarHBondContact O-CB 3.45Å; A363-K367 PolarHBondContact O-N 3.33Å; A363-K367 VanDerWaalsContact O-N 3.1Å; A363-M395 HydrophobicContact CB-CE 3.87Å; A363-M395 HydrophobicContact CB-SD 3.48Å; A363-M395 WeakPolarHBondContact CB-SD 3.4Å; A363-L398 HydrophobicContact CB-CD1 3.94Å; A363-L398 HydrophobicContact CB-CD2 4.41Å |
| 364 | Q | 92.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 43 Ų | 43 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.8 | -51.7 | 172 | -71.9 | 177.6 | -55.3 | 0 | 0 | 110.5 | L360 P361 M362 L366 K367 M368 L398 | L360-Q364 WeakPolarHBondContact O-CG 3.24Å; L360-Q364 PolarHBondContact O-N 3.44Å; P361-Q364 WeakPolarHBondContact O-CB 3.36Å; P361-Q364 PolarHBondContact O-N 3.46Å; P361-Q364 VanDerWaalsContact O-N 3.12Å; M362-Q364 VanDerWaalsContact C-N 3.29Å; M362-Q364 PolarHBondContact O-N 2.93Å; Q364-L366 PolarHBondContact O-N 2.82Å; Q364-K367 PolarHBondContact O-N 3.17Å; Q364-M368 WeakPolarHBondContact O-CB 3.32Å; Q364-M368 VanDerWaalsContact O-CG 3.24Å; Q364-M368 WeakPolarHBondContact O-CG 3.02Å; Q364-M368 PolarHBondContact O-N 3.21Å; Q364-L398 HydrophobicContact CB-CD1 4.33Å; Q364-L398 HydrophobicContact CG-CD1 3.38Å; Q364-L398 HydrophobicContact CG-CG 4.04Å |
| 365 | L | 92.7 | Very high | 91.2 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 29% | 0.293 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.9 | -50 | 178.5 | -67.3 | 174.6 | 0 | 0 | 0 | 111.8 | L327 L334 P361 M362 K367 M368 A369 | L327-L365 HydrophobicContact CB-CD1 4.42Å; L327-L365 HydrophobicContact CD2-CD1 3.83Å; L334-L365 HydrophobicContact CD1-CB 4.2Å; P361-L365 PolarHBondContact O-N 2.97Å; M362-L365 PolarHBondContact O-N 3.21Å; L365-K367 PolarHBondContact O-N 2.92Å; L365-M368 PolarHBondContact O-N 3Å; L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 3.38Å |
| 366 | L | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | -179.7 | -68.8 | 168.4 | 0 | 0 | 0 | 112.7 | L318 T322 L334 P350 L351 A354 M362 Q364 A369 G370 A371 | L318-L366 HydrophobicContact CD1-CD2 4.2Å; L318-L366 HydrophobicContact CD2-CD2 3.76Å; L318-L366 HydrophobicContact CG-CD2 4.12Å; T322-L366 HydrophobicContact CG2-CD1 3.83Å; L334-L366 HydrophobicContact CD1-CD2 4.38Å; L334-L366 HydrophobicContact CD2-CD2 4.31Å; P350-L366 HydrophobicContact CB-CD1 4.12Å; P350-L366 HydrophobicContact CB-CD2 4.08Å; P350-L366 WeakPolarHBondContact O-CD1 3.24Å; L351-L366 HydrophobicContact CD1-CB 4.1Å; A354-L366 HydrophobicContact CB-CD1 3.78Å; M362-L366 HydrophobicContact CG-CD1 4Å; M362-L366 WeakPolarHBondContact O-CB 3.46Å; M362-L366 VanDerWaalsContact O-CG 3.26Å; M362-L366 WeakPolarHBondContact O-CG 3.47Å; M362-L366 PolarHBondContact O-N 3.31Å; Q364-L366 PolarHBondContact O-N 2.82Å; L366-A369 PolarHBondContact O-N 3.07Å; L366-G370 PolarHBondContact O-N 3.09Å; L366-A371 HydrophobicContact CB-CB 4.24Å; L366-A371 WeakPolarHBondContact O-CB 3.4Å; L366-A371 PolarHBondContact O-N 3.49Å |
| 367 | K | 90.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.6 | -36.9 | 175.8 | -175.6 | 172.1 | 177.3 | 177.1 | 0 | 112.1 | A363 Q364 L365 A369 G370 V373 L398 L399 A401 P403 | A363-K367 VanDerWaalsContact O-CB 3.31Å; A363-K367 WeakPolarHBondContact O-CB 3.45Å; A363-K367 PolarHBondContact O-N 3.33Å; A363-K367 VanDerWaalsContact O-N 3.1Å; Q364-K367 PolarHBondContact O-N 3.17Å; L365-K367 PolarHBondContact O-N 2.92Å; K367-A369 VanDerWaalsContact C-N 3.29Å; K367-A369 PolarHBondContact O-N 3.4Å; K367-G370 PolarHBondContact O-N 3.12Å; K367-V373 HydrophobicContact CD-CG2 4.17Å; K367-L398 HydrophobicContact CB-CD2 4.19Å; K367-L398 HydrophobicContact CD-CD2 3.89Å; K367-L398 WeakPolarHBondContact CD-O 3.33Å; K367-L398 PolarHBondContact NZ-O 2.98Å; K367-L399 VanDerWaalsContact NZ-C 3.31Å; K367-L399 PolarHBondContact NZ-O 2.9Å; K367-A401 PolarHBondContact NZ-O 3.4Å; K367-P403 PolarHBondContact NZ-O 3.34Å |
| 368 | M | 90 | Very high | 90.9 | Very high | 155 Ų | 155 | 42.3 Ų | 42.3 | 76% | 0.764 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.2 | -35.1 | 174.8 | -74.4 | 171.4 | 172.2 | 0 | 0 | 111.9 | Q364 L365 G370 | Q364-M368 WeakPolarHBondContact O-CB 3.32Å; Q364-M368 VanDerWaalsContact O-CG 3.24Å; Q364-M368 WeakPolarHBondContact O-CG 3.02Å; Q364-M368 PolarHBondContact O-N 3.21Å; L365-M368 PolarHBondContact O-N 3Å; M368-G370 PolarHBondContact O-N 3.22Å |
| 369 | A | 89.7 | Confident | 90.7 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 0 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L334 L340 L365 L366 K367 | L334-A369 HydrophobicContact CD1-CB 4.12Å; L334-A369 HydrophobicContact CD2-CB 3.77Å; L334-A369 HydrophobicContact CG-CB 4.38Å; L340-A369 HydrophobicContact CD1-CB 4.07Å; L340-A369 WeakPolarHBondContact CD1-O 3.34Å; L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 3.38Å; L366-A369 PolarHBondContact O-N 3.07Å; K367-A369 VanDerWaalsContact C-N 3.29Å; K367-A369 PolarHBondContact O-N 3.4Å |
| 370 | G | 88.3 | Confident | 90.5 | Very high | 57 Ų | 57 | 37.1 Ų | 37.1 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | 12.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L366 K367 M368 N372 | L366-G370 PolarHBondContact O-N 3.09Å; K367-G370 PolarHBondContact O-N 3.12Å; M368-G370 PolarHBondContact O-N 3.22Å; G370-N372 PolarHBondContact O-N 3.38Å |
| 371 | A | 90.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | trans | -57.5 | 134.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L340 L351 L366 V373 | L340-A371 HydrophobicContact CB-CB 4.12Å; L340-A371 HydrophobicContact CD1-CB 3.94Å; L351-A371 HydrophobicContact CB-CB 4.03Å; L351-A371 HydrophobicContact CD2-CB 4.05Å; L351-A371 HydrophobicContact CG-CB 4.5Å; L366-A371 HydrophobicContact CB-CB 4.24Å; L366-A371 WeakPolarHBondContact O-CB 3.4Å; L366-A371 PolarHBondContact O-N 3.49Å; A371-V373 PolarHBondContact O-N 3.09Å | ||
| 372 | N | 88.5 | Confident | 90.3 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | trans | -76.9 | 108.3 | -170.5 | 177.6 | 6.9 | 0 | 0 | 0 | 112.7 | E341 G370 G374 T375 K1258 | E341-N372 VanDerWaalsContact CD-CB 3.46Å; E341-N372 WeakPolarHBondContact OE1-CB 3.22Å; E341-N372 PolarHBondContact OE1-N 3.32Å; E341-N372 VanDerWaalsContact OE1-N 3.13Å; E341-N372 WeakPolarHBondContact OE2-CB 3.46Å; E341-N372 PolarHBondContact OE2-ND2 3.4Å; E341-N372 VanDerWaalsContact OE2-ND2 3.09Å; G370-N372 PolarHBondContact O-N 3.38Å; N372-G374 PolarHBondContact O-N 3.03Å; N372-G374 VanDerWaalsContact O-N 3.12Å; N372-G374 WeakPolarHBondContact OD1-CA 3.37Å; N372-G374 PolarHBondContact OD1-N 2.78Å; N372-T375 HydrophobicContact CB-CG2 3.88Å; N372-T375 PolarHBondContact O-N 3.28Å; N372-T375 PolarHBondContact O-OG1 2.96Å; N372-K1258 PolarHBondContact OD1-O 3.33Å | ||
| 373 | V | 88.3 | Confident | 90.2 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -29.5 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 112.9 | L351 K367 A371 S383 L384 L399 F404 I408 | L351-V373 HydrophobicContact CD2-CG2 4.28Å; K367-V373 HydrophobicContact CD-CG2 4.17Å; A371-V373 PolarHBondContact O-N 3.09Å; V373-S383 WeakPolarHBondContact CG1-OG 3.39Å; V373-S383 PolarHBondContact O-OG 3.1Å; V373-L384 HydrophobicContact CG1-CD1 4.43Å; V373-L384 HydrophobicContact CG1-CG 4.48Å; V373-L399 HydrophobicContact CG1-CB 4.26Å; V373-L399 HydrophobicContact CG1-CD2 4.36Å; V373-L399 HydrophobicContact CG2-CD2 4.19Å; V373-F404 HydrophobicContact CG1-CD2 4.42Å; V373-F404 HydrophobicContact CG1-CE2 4.41Å; V373-I408 HydrophobicContact CB-CD1 4.39Å; V373-I408 HydrophobicContact CG1-CD1 4.18Å |
| 374 | G | 86.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N372 | N372-G374 PolarHBondContact O-N 3.03Å; N372-G374 VanDerWaalsContact O-N 3.12Å; N372-G374 WeakPolarHBondContact OD1-CA 3.37Å; N372-G374 PolarHBondContact OD1-N 2.78Å |
| 375 | T | 89.5 | Confident | 90.1 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | trans | -62.7 | 137.7 | 176.9 | 48.9 | 0 | 0 | 0 | 0 | 112 | E341 T349 N372 T382 | E341-T375 WeakPolarHBondContact OE2-CG2 3.41Å; T349-T375 HydrophobicContact CG2-CG2 4.04Å; T349-T375 PolarHBondContact OG1-OG1 3.31Å; N372-T375 HydrophobicContact CB-CG2 3.88Å; N372-T375 PolarHBondContact O-N 3.28Å; N372-T375 PolarHBondContact O-OG1 2.96Å; T375-T382 WeakPolarHBondContact O-CA 3.42Å | ||
| 376 | T | 90.3 | Very high | 90 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -111.5 | 145.3 | 178.7 | 61 | 0 | 0 | 0 | 0 | 114.5 | K343 G380 D381 T382 A1261 | K343-T376 PolarHBondContact NZ-O 2.92Å; T376-G380 WeakPolarHBondContact CG2-O 3.27Å; T376-D381 WeakPolarHBondContact CA-O 3.36Å; T376-T382 HydrophobicContact CG2-CG2 3.56Å; T376-A1261 WeakPolarHBondContact CG2-O 3.32Å |
| 377 | D | 90.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.032 | 15% | 0.153 | C | C | . | . | trans | -74.4 | -174.6 | 170.9 | 80.4 | -11.8 | 0 | 0 | 0 | 113.6 | G347 D348 L352 R356 N379 G380 D381 | G347-D377 WeakPolarHBondContact O-CA 3.33Å; D348-D377 WeakPolarHBondContact OD1-CB 3.46Å; L352-D377 HydrophobicContact CD1-CB 4.26Å; R356-D377 IonicContact CZ-OD2 3.45Å; R356-D377 IonicContact NH1-OD2 3.85Å; R356-D377 IonicContact NH2-OD2 2.95Å; R356-D377 PolarHBondContact NH2-OD2 2.88Å; D377-N379 PolarHBondContact O-N 3.4Å; D377-N379 VanDerWaalsContact OD1-C 3.24Å; D377-N379 WeakPolarHBondContact OD1-CA 3.48Å; D377-N379 VanDerWaalsContact OD1-CB 3.24Å; D377-N379 WeakPolarHBondContact OD1-CB 3.45Å; D377-N379 PolarHBondContact OD1-N 2.9Å; D377-N379 PolarHBondContact OD2-ND2 3.3Å; D377-G380 PolarHBondContact O-N 2.91Å; D377-G380 PolarHBondContact OD1-N 3.33Å; D377-D381 PolarHBondContact N-O 3.02Å; D377-D381 VanDerWaalsContact N-O 3.1Å; D377-D381 WeakPolarHBondContact OD1-CB 3.18Å; D377-D381 PolarHBondContact OD1-N 2.97Å | ||
| 378 | K | 89.7 | Confident | 89.9 | Confident | 113 Ų | 113 | 25.1 Ų | 25.1 | 49% | 0.491 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.3 | 173.2 | -78.4 | 179.3 | 176.2 | -177.9 | 0 | 114.2 | H345 D346 R414 | H345-K378 WeakPolarHBondContact O-CD 3.32Å; H345-K378 WeakPolarHBondContact O-CE 3.37Å; H345-K378 PolarHBondContact O-NZ 3.34Å; D346-K378 WeakPolarHBondContact O-CB 3.45Å; D346-K378 VanDerWaalsContact O-CG 3.27Å; D346-K378 WeakPolarHBondContact O-CG 3.39Å; D346-K378 PolarHBondContact O-N 3.04Å; K378-R414 VanDerWaalsContact O-CD 3.22Å; K378-R414 WeakPolarHBondContact O-CD 3.37Å; K378-R414 PolarHBondContact O-NE 3.15Å; K378-R414 PolarHBondContact O-NH1 3.37Å |
| 379 | N | 87.7 | Confident | 89.9 | Confident | 69 Ų | 69 | 21.5 Ų | 21.5 | 37% | 0.369 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.4 | 171.2 | -51.5 | -62.8 | 0 | 0 | 0 | 112.2 | D377 D381 R414 I415 | D377-N379 PolarHBondContact O-N 3.4Å; D377-N379 VanDerWaalsContact OD1-C 3.24Å; D377-N379 WeakPolarHBondContact OD1-CA 3.48Å; D377-N379 VanDerWaalsContact OD1-CB 3.24Å; D377-N379 WeakPolarHBondContact OD1-CB 3.45Å; D377-N379 PolarHBondContact OD1-N 2.9Å; D377-N379 PolarHBondContact OD2-ND2 3.3Å; N379-D381 PolarHBondContact O-N 2.99Å; N379-R414 WeakPolarHBondContact O-CA 3.38Å; N379-R414 WeakPolarHBondContact O-CB 3.32Å; N379-R414 WeakPolarHBondContact O-CG 3.36Å; N379-R414 PolarHBondContact O-N 2.71Å; N379-I415 HydrophobicContact CB-CD1 4.45Å |
| 380 | G | 88.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | 72.7 | 8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T376 D377 T382 N413 | T376-G380 WeakPolarHBondContact CG2-O 3.27Å; D377-G380 PolarHBondContact O-N 2.91Å; D377-G380 PolarHBondContact OD1-N 3.33Å; G380-T382 PolarHBondContact O-N 3.39Å; G380-N413 WeakPolarHBondContact O-CA 3.5Å | ||
| 381 | D | 90.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.032 | 12% | 0.115 | C | C | . | . | trans | -76.3 | 118.1 | -178.5 | -72.3 | -32.7 | 0 | 0 | 0 | 110.1 | L352 T376 D377 N379 H385 I386 R389 N413 | L352-D381 WeakPolarHBondContact CD2-O 3.33Å; T376-D381 WeakPolarHBondContact CA-O 3.36Å; D377-D381 PolarHBondContact N-O 3.02Å; D377-D381 VanDerWaalsContact N-O 3.1Å; D377-D381 WeakPolarHBondContact OD1-CB 3.18Å; D377-D381 PolarHBondContact OD1-N 2.97Å; N379-D381 PolarHBondContact O-N 2.99Å; D381-H385 HydrophobicContact CB-CB 3.84Å; D381-H385 IonicContact OD1-CD2 3.52Å; D381-H385 IonicContact OD1-CG 3.58Å; D381-I386 HydrophobicContact CB-CG1 4.08Å; D381-R389 IonicContact OD1-CZ 3.97Å; D381-R389 IonicContact OD1-NH1 3.97Å; D381-R389 PolarHBondContact OD1-NH1 3.49Å; D381-R389 IonicContact OD1-NH2 3.51Å; D381-R389 PolarHBondContact OD1-NH2 2.98Å; D381-R389 IonicContact OD2-CZ 3.83Å; D381-R389 IonicContact OD2-NH1 2.76Å; D381-R389 PolarHBondContact OD2-NH1 3.41Å; D381-R389 IonicContact OD2-NH2 3.54Å; D381-R389 PolarHBondContact OD2-NH2 2.76Å; D381-N413 WeakPolarHBondContact OD1-CB 3.13Å; D381-N413 PolarHBondContact OD1-ND2 3.07Å | ||
| 382 | T | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 163.7 | 166.5 | 68.3 | 0 | 0 | 0 | 0 | 111 | T375 T376 G380 L384 H385 I386 I408 Q411 | T375-T382 WeakPolarHBondContact O-CA 3.42Å; T376-T382 HydrophobicContact CG2-CG2 3.56Å; G380-T382 PolarHBondContact O-N 3.39Å; T382-L384 PolarHBondContact O-N 2.71Å; T382-L384 PolarHBondContact OG1-N 2.81Å; T382-H385 PolarHBondContact N-ND1 3.01Å; T382-H385 WeakPolarHBondContact O-CB 3.41Å; T382-H385 PolarHBondContact O-N 3.02Å; T382-H385 PolarHBondContact OG1-ND1 3.46Å; T382-I386 PolarHBondContact O-N 2.88Å; T382-I408 HydrophobicContact CG2-CG2 4.17Å; T382-Q411 HydrophobicContact CG2-CG 4.3Å |
| 383 | S | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -50.7 | -33 | 173.6 | 65.6 | 0 | 0 | 0 | 0 | 113 | L352 V373 A387 L399 | L352-S383 VanDerWaalsContact CD2-N 3.35Å; V373-S383 WeakPolarHBondContact CG1-OG 3.39Å; V373-S383 PolarHBondContact O-OG 3.1Å; S383-A387 WeakPolarHBondContact O-CB 3.23Å; S383-A387 PolarHBondContact O-N 3.17Å; S383-L399 WeakPolarHBondContact O-CD1 3.37Å |
| 384 | L | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71 | -35.3 | 175 | -88.6 | 171.5 | 0 | 0 | 0 | 114.4 | V373 T382 I386 A387 V388 V396 L399 M400 F404 I408 | V373-L384 HydrophobicContact CG1-CD1 4.43Å; V373-L384 HydrophobicContact CG1-CG 4.48Å; T382-L384 PolarHBondContact O-N 2.71Å; T382-L384 PolarHBondContact OG1-N 2.81Å; L384-I386 VanDerWaalsContact C-N 3.34Å; L384-A387 PolarHBondContact O-N 3.39Å; L384-V388 WeakPolarHBondContact O-CB 3.35Å; L384-V388 VanDerWaalsContact O-CG2 3.29Å; L384-V388 WeakPolarHBondContact O-CG2 3.43Å; L384-V388 PolarHBondContact O-N 2.9Å; L384-V396 HydrophobicContact CD2-CG1 4.02Å; L384-L399 HydrophobicContact CD2-CB 3.9Å; L384-L399 HydrophobicContact CD2-CD1 4.16Å; L384-L399 HydrophobicContact CG-CB 4.12Å; L384-L399 HydrophobicContact CG-CD1 4.26Å; L384-M400 HydrophobicContact CD1-CG 4.17Å; L384-M400 HydrophobicContact CD2-CG 3.86Å; L384-M400 HydrophobicContact CD2-SD 4.36Å; L384-F404 HydrophobicContact CD1-CD2 4.48Å; L384-F404 HydrophobicContact CD1-CE2 3.37Å; L384-F404 HydrophobicContact CD1-CZ 3.59Å; L384-I408 HydrophobicContact CB-CG2 4.4Å; L384-I408 HydrophobicContact CD1-CB 4.32Å; L384-I408 HydrophobicContact CD1-CG2 3.87Å |
| 385 | H | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 172.5 | -70.1 | 82.9 | 0 | 0 | 0 | 110.6 | D381 T382 A387 V388 R389 Q411 P412 N413 P419 I422 | D381-H385 HydrophobicContact CB-CB 3.84Å; D381-H385 IonicContact OD1-CD2 3.52Å; D381-H385 IonicContact OD1-CG 3.58Å; T382-H385 PolarHBondContact N-ND1 3.01Å; T382-H385 WeakPolarHBondContact O-CB 3.41Å; T382-H385 PolarHBondContact O-N 3.02Å; T382-H385 PolarHBondContact OG1-ND1 3.46Å; H385-A387 PolarHBondContact O-N 3.47Å; H385-V388 PolarHBondContact O-N 2.92Å; H385-R389 WeakPolarHBondContact O-CG 3.36Å; H385-R389 PolarHBondContact O-N 3.46Å; H385-Q411 PolarHBondContact CE1-O 3.45Å; H385-P412 PolarHBondContact CE1-O 3.14Å; H385-P412 WeakPolarHBondContact NE2-CA 3.39Å; H385-P412 PolarHBondContact NE2-O 3.27Å; H385-N413 PolarHBondContact NE2-N 2.77Å; H385-P419 VanDerWaalsContact CE1-CG 3.48Å; H385-P419 WeakPolarHBondContact CE1-CG 3.44Å; H385-P419 VanDerWaalsContact NE2-CD 3.26Å; H385-P419 WeakPolarHBondContact NE2-CD 3.27Å; H385-I422 HydrophobicContact CB-CD1 4.41Å |
| 386 | I | 91 | Very high | 89.6 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | -179.2 | -52.5 | -177.5 | 0 | 0 | 0 | 110.5 | L352 V355 R356 D381 T382 L384 R389 C390 | L352-I386 HydrophobicContact CB-CD1 4.5Å; L352-I386 HydrophobicContact CD2-CD1 3.68Å; V355-I386 HydrophobicContact CG1-CB 3.91Å; V355-I386 HydrophobicContact CG1-CG2 3.9Å; R356-I386 HydrophobicContact CB-CG2 4.17Å; R356-I386 HydrophobicContact CG-CG2 4.44Å; D381-I386 HydrophobicContact CB-CG1 4.08Å; T382-I386 PolarHBondContact O-N 2.88Å; L384-I386 VanDerWaalsContact C-N 3.34Å; I386-R389 PolarHBondContact O-N 3.41Å; I386-C390 VanDerWaalsContact O-CB 3.32Å; I386-C390 WeakPolarHBondContact O-CB 3.27Å; I386-C390 PolarHBondContact O-N 2.69Å; I386-C390 PolarHBondContact O-SG 2.99Å |
| 387 | A | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V355 S383 L384 H385 C390 R391 S392 M395 V396 L399 | V355-A387 HydrophobicContact CG1-CB 3.86Å; S383-A387 WeakPolarHBondContact O-CB 3.23Å; S383-A387 PolarHBondContact O-N 3.17Å; L384-A387 PolarHBondContact O-N 3.39Å; H385-A387 PolarHBondContact O-N 3.47Å; A387-C390 CarbonylContact O-C 3.53Å; A387-C390 PolarHBondContact O-N 2.78Å; A387-R391 PolarHBondContact O-N 2.88Å; A387-R391 VanDerWaalsContact O-N 3.17Å; A387-S392 PolarHBondContact O-N 2.79Å; A387-M395 HydrophobicContact CB-CB 4.22Å; A387-M395 HydrophobicContact CB-CG 3.77Å; A387-V396 HydrophobicContact CB-CG2 3.85Å; A387-L399 HydrophobicContact CB-CD1 3.59Å |
| 388 | V | 90.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.7 | -41.4 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | L384 H385 C390 R391 V396 I422 D423 | L384-V388 WeakPolarHBondContact O-CB 3.35Å; L384-V388 VanDerWaalsContact O-CG2 3.29Å; L384-V388 WeakPolarHBondContact O-CG2 3.43Å; L384-V388 PolarHBondContact O-N 2.9Å; H385-V388 PolarHBondContact O-N 2.92Å; V388-C390 VanDerWaalsContact C-N 3.3Å; V388-C390 PolarHBondContact O-N 3.11Å; V388-R391 WeakPolarHBondContact O-CA 3.31Å; V388-R391 WeakPolarHBondContact O-CG 3.47Å; V388-R391 PolarHBondContact O-N 3.21Å; V388-V396 HydrophobicContact CG2-CG1 4.49Å; V388-V396 HydrophobicContact CG2-CG2 3.84Å; V388-I422 HydrophobicContact CB-CG2 4.42Å; V388-I422 HydrophobicContact CG1-CB 4.13Å; V388-I422 HydrophobicContact CG1-CG2 3.75Å; V388-D423 HydrophobicContact CG1-CB 3.75Å |
| 389 | R | 89.2 | Confident | 89.4 | Confident | 79 Ų | 79 | 37.2 Ų | 37.2 | 30% | 0.298 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 171.4 | -71.9 | -160.7 | -154.1 | 92.8 | 2.3 | 112.7 | D381 H385 I386 R391 N413 E417 I422 | D381-R389 IonicContact OD1-CZ 3.97Å; D381-R389 IonicContact OD1-NH1 3.97Å; D381-R389 PolarHBondContact OD1-NH1 3.49Å; D381-R389 IonicContact OD1-NH2 3.51Å; D381-R389 PolarHBondContact OD1-NH2 2.98Å; D381-R389 IonicContact OD2-CZ 3.83Å; D381-R389 IonicContact OD2-NH1 2.76Å; D381-R389 PolarHBondContact OD2-NH1 3.41Å; D381-R389 IonicContact OD2-NH2 3.54Å; D381-R389 PolarHBondContact OD2-NH2 2.76Å; H385-R389 WeakPolarHBondContact O-CG 3.36Å; H385-R389 PolarHBondContact O-N 3.46Å; I386-R389 PolarHBondContact O-N 3.41Å; R389-R391 PolarHBondContact O-N 2.94Å; R389-N413 PolarHBondContact NH2-ND2 3.44Å; R389-E417 IonicContact CZ-OE1 3.67Å; R389-E417 IonicContact CZ-OE2 2.59Å; R389-E417 IonicContact NE-OE1 3.86Å; R389-E417 IonicContact NE-OE2 3.2Å; R389-E417 PolarHBondContact NE-OE2 2.91Å; R389-E417 IonicContact NH2-OE1 2.69Å; R389-E417 PolarHBondContact NH2-OE1 2.89Å; R389-E417 IonicContact NH2-OE2 3.56Å; R389-E417 PolarHBondContact NH2-OE2 3.42Å; R389-E417 VanDerWaalsContact NH2-OE2 3.16Å; R389-I422 HydrophobicContact CB-CG2 4.49Å; R389-I422 HydrophobicContact CG-CD1 4.09Å; R389-I422 HydrophobicContact CG-CG2 3.59Å |
| 390 | C | 86 | Confident | 89.3 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.8 | 171.6 | -69.3 | 0 | 0 | 0 | 0 | 113.7 | R358 I386 A387 V388 S392 | R358-C390 HydrophobicContact CG-CB 4.23Å; R358-C390 PolarHBondContact NE-SG 2.89Å; R358-C390 VanDerWaalsContact NE-SG 3.39Å; I386-C390 VanDerWaalsContact O-CB 3.32Å; I386-C390 WeakPolarHBondContact O-CB 3.27Å; I386-C390 PolarHBondContact O-N 2.69Å; I386-C390 PolarHBondContact O-SG 2.99Å; A387-C390 CarbonylContact O-C 3.53Å; A387-C390 PolarHBondContact O-N 2.78Å; V388-C390 VanDerWaalsContact C-N 3.3Å; V388-C390 PolarHBondContact O-N 3.11Å; C390-S392 PolarHBondContact O-N 3.42Å |
| 391 | R | 85.2 | Confident | 89 | Confident | 155 Ų | 155 | 36.9 Ų | 36.9 | 59% | 0.585 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 26.1 | -179.4 | -61.9 | 179.7 | 179 | 136.6 | 0.6 | 114.1 | A387 V388 R389 R393 V430 | A387-R391 PolarHBondContact O-N 2.88Å; A387-R391 VanDerWaalsContact O-N 3.17Å; V388-R391 WeakPolarHBondContact O-CA 3.31Å; V388-R391 WeakPolarHBondContact O-CG 3.47Å; V388-R391 PolarHBondContact O-N 3.21Å; R389-R391 PolarHBondContact O-N 2.94Å; R391-R393 PolarHBondContact O-N 2.68Å; R391-V430 HydrophobicContact CB-CG2 4.26Å |
| 392 | S | 87 | Confident | 88.1 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | trans | -87.1 | 94.3 | -173.5 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | A387 C390 R394 M395 V396 | A387-S392 PolarHBondContact O-N 2.79Å; C390-S392 PolarHBondContact O-N 3.42Å; S392-R394 VanDerWaalsContact C-N 3.26Å; S392-R394 PolarHBondContact O-N 3.42Å; S392-M395 PolarHBondContact O-N 3.44Å; S392-M395 WeakPolarHBondContact OG-CB 3.28Å; S392-M395 PolarHBondContact OG-N 2.92Å; S392-V396 PolarHBondContact O-N 3.33Å | ||
| 393 | R | 86.7 | Confident | 87 | Confident | 112 Ų | 112 | 46.4 Ų | 46.4 | 42% | 0.423 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -50.4 | -43.7 | 179 | -174.2 | -178.1 | 179.3 | -171.9 | 1.5 | 112.8 | R391 V396 Q397 V430 H433 I434 | R391-R393 PolarHBondContact O-N 2.68Å; R393-V396 PolarHBondContact O-N 2.93Å; R393-Q397 HydrophobicContact CG-CG 4.39Å; R393-Q397 WeakPolarHBondContact O-CB 3.47Å; R393-Q397 VanDerWaalsContact O-CG 3.23Å; R393-Q397 WeakPolarHBondContact O-CG 3.45Å; R393-Q397 PolarHBondContact O-N 2.76Å; R393-Q397 PolarHBondContact O-OE1 3.41Å; R393-V430 HydrophobicContact CB-CG1 3.98Å; R393-V430 HydrophobicContact CG-CG1 4.23Å; R393-H433 VanDerWaalsContact CZ-O 3.3Å; R393-H433 PolarHBondContact NE-O 2.92Å; R393-H433 PolarHBondContact NH2-O 2.81Å; R393-I434 HydrophobicContact CG-CD1 4.41Å; R393-I434 HydrophobicContact CG-CG1 4.23Å |
| 394 | R | 88.5 | Confident | 86 | Confident | 185 Ų | 185 | 48.4 Ų | 48.4 | 70% | 0.698 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65 | -39.1 | 178 | -70.4 | -174.7 | 178 | 175.4 | -0.8 | 112.3 | L360 S392 L398 | L360-R394 HydrophobicContact CD1-CB 3.88Å; L360-R394 HydrophobicContact CD2-CB 3.85Å; S392-R394 VanDerWaalsContact C-N 3.26Å; S392-R394 PolarHBondContact O-N 3.42Å; R394-L398 VanDerWaalsContact O-CB 3.28Å; R394-L398 WeakPolarHBondContact O-CB 3.19Å; R394-L398 PolarHBondContact O-N 2.88Å |
| 395 | M | 90.6 | Very high | 85.3 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -42 | 177.4 | -167.4 | 67.2 | 80.5 | 0 | 0 | 111.7 | V355 L360 A363 A387 S392 L398 L399 | V355-M395 HydrophobicContact CG1-CG 4.11Å; V355-M395 HydrophobicContact CG2-CE 4.41Å; V355-M395 HydrophobicContact CG2-CG 4.18Å; V355-M395 HydrophobicContact CG2-SD 3.88Å; L360-M395 HydrophobicContact CB-CE 4.43Å; L360-M395 HydrophobicContact CD1-CB 4.28Å; L360-M395 HydrophobicContact CD1-CE 4.25Å; L360-M395 HydrophobicContact CD1-SD 4.05Å; A363-M395 HydrophobicContact CB-CE 3.87Å; A363-M395 HydrophobicContact CB-SD 3.48Å; A363-M395 WeakPolarHBondContact CB-SD 3.4Å; A387-M395 HydrophobicContact CB-CB 4.22Å; A387-M395 HydrophobicContact CB-CG 3.77Å; S392-M395 PolarHBondContact O-N 3.44Å; S392-M395 WeakPolarHBondContact OG-CB 3.28Å; S392-M395 PolarHBondContact OG-N 2.92Å; M395-L398 WeakPolarHBondContact O-CB 3.1Å; M395-L398 PolarHBondContact O-N 2.93Å; M395-L398 HydrophobicContact SD-CD1 4.05Å; M395-L399 HydrophobicContact CG-CD1 4.23Å; M395-L399 WeakPolarHBondContact O-CG 3.33Å; M395-L399 PolarHBondContact O-N 3.28Å |
| 396 | V | 90.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 175.3 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | L384 A387 V388 S392 R393 L398 L399 M400 V430 L431 I434 | L384-V396 HydrophobicContact CD2-CG1 4.02Å; A387-V396 HydrophobicContact CB-CG2 3.85Å; V388-V396 HydrophobicContact CG2-CG1 4.49Å; V388-V396 HydrophobicContact CG2-CG2 3.84Å; S392-V396 PolarHBondContact O-N 3.33Å; R393-V396 PolarHBondContact O-N 2.93Å; V396-L398 VanDerWaalsContact C-N 3.34Å; V396-L398 PolarHBondContact O-N 2.98Å; V396-L399 PolarHBondContact O-N 3.25Å; V396-M400 HydrophobicContact CG1-CG 4.22Å; V396-M400 HydrophobicContact CG1-SD 3.65Å; V396-M400 VanDerWaalsContact O-CB 3.28Å; V396-M400 WeakPolarHBondContact O-CB 3.16Å; V396-M400 WeakPolarHBondContact O-CG 3.33Å; V396-M400 PolarHBondContact O-N 3.1Å; V396-V430 HydrophobicContact CB-CG1 4.11Å; V396-V430 HydrophobicContact CG1-CG1 4.44Å; V396-V430 HydrophobicContact CG2-CG1 4.08Å; V396-L431 HydrophobicContact CG1-CD2 3.81Å; V396-I434 HydrophobicContact CB-CD1 3.84Å; V396-I434 HydrophobicContact CG1-CD1 3.5Å; V396-I434 VanDerWaalsContact CG1-CD1 3.5Å |
| 397 | Q | 87.9 | Confident | 84.1 | Confident | 79 Ų | 79 | 57.2 Ų | 57.2 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 174 | -75.2 | 174.1 | -49.8 | 0 | 0 | 112.8 | R393 A401 I434 | R393-Q397 HydrophobicContact CG-CG 4.39Å; R393-Q397 WeakPolarHBondContact O-CB 3.47Å; R393-Q397 VanDerWaalsContact O-CG 3.23Å; R393-Q397 WeakPolarHBondContact O-CG 3.45Å; R393-Q397 PolarHBondContact O-N 2.76Å; R393-Q397 PolarHBondContact O-OE1 3.41Å; Q397-A401 PolarHBondContact O-N 3.15Å; Q397-I434 HydrophobicContact CG-CD1 3.68Å; Q397-I434 HydrophobicContact CG-CG1 3.75Å; Q397-I434 HydrophobicContact CG-CG2 4.39Å |
| 398 | L | 89.8 | Confident | 83.7 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -54 | 174.8 | 177 | 175.3 | 0 | 0 | 0 | 111.4 | L360 A363 Q364 K367 R394 M395 V396 M400 A401 | L360-L398 HydrophobicContact CD1-CB 4.41Å; L360-L398 HydrophobicContact CD1-CD1 3.53Å; L360-L398 HydrophobicContact CG-CD1 4.13Å; A363-L398 HydrophobicContact CB-CD1 3.94Å; A363-L398 HydrophobicContact CB-CD2 4.41Å; Q364-L398 HydrophobicContact CB-CD1 4.33Å; Q364-L398 HydrophobicContact CG-CD1 3.38Å; Q364-L398 HydrophobicContact CG-CG 4.04Å; K367-L398 HydrophobicContact CB-CD2 4.19Å; K367-L398 HydrophobicContact CD-CD2 3.89Å; K367-L398 WeakPolarHBondContact CD-O 3.33Å; K367-L398 PolarHBondContact NZ-O 2.98Å; R394-L398 VanDerWaalsContact O-CB 3.28Å; R394-L398 WeakPolarHBondContact O-CB 3.19Å; R394-L398 PolarHBondContact O-N 2.88Å; M395-L398 WeakPolarHBondContact O-CB 3.1Å; M395-L398 PolarHBondContact O-N 2.93Å; M395-L398 HydrophobicContact SD-CD1 4.05Å; V396-L398 VanDerWaalsContact C-N 3.34Å; V396-L398 PolarHBondContact O-N 2.98Å; L398-M400 PolarHBondContact O-N 3.36Å; L398-A401 WeakPolarHBondContact O-CB 3.39Å; L398-A401 PolarHBondContact O-N 2.93Å |
| 399 | L | 89.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -30.1 | -177.9 | -67.5 | 173.9 | 0 | 0 | 0 | 112 | L351 V355 K367 V373 S383 L384 A387 M395 V396 F404 | L351-L399 HydrophobicContact CD1-CD2 4.3Å; L351-L399 HydrophobicContact CD2-CD2 4.41Å; V355-L399 HydrophobicContact CG2-CD1 4.14Å; V355-L399 HydrophobicContact CG2-CD2 4.38Å; K367-L399 VanDerWaalsContact NZ-C 3.31Å; K367-L399 PolarHBondContact NZ-O 2.9Å; V373-L399 HydrophobicContact CG1-CB 4.26Å; V373-L399 HydrophobicContact CG1-CD2 4.36Å; V373-L399 HydrophobicContact CG2-CD2 4.19Å; S383-L399 WeakPolarHBondContact O-CD1 3.37Å; L384-L399 HydrophobicContact CD2-CB 3.9Å; L384-L399 HydrophobicContact CD2-CD1 4.16Å; L384-L399 HydrophobicContact CG-CB 4.12Å; L384-L399 HydrophobicContact CG-CD1 4.26Å; A387-L399 HydrophobicContact CB-CD1 3.59Å; M395-L399 HydrophobicContact CG-CD1 4.23Å; M395-L399 WeakPolarHBondContact O-CG 3.33Å; M395-L399 PolarHBondContact O-N 3.28Å; V396-L399 PolarHBondContact O-N 3.25Å; L399-F404 WeakPolarHBondContact O-CD2 3.25Å |
| 400 | M | 86 | Confident | 83.2 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -91.6 | -6.9 | 178.6 | -62.1 | -171.1 | 80.4 | 0 | 0 | 115.6 | L384 V396 L398 F404 L409 L431 F435 | L384-M400 HydrophobicContact CD1-CG 4.17Å; L384-M400 HydrophobicContact CD2-CG 3.86Å; L384-M400 HydrophobicContact CD2-SD 4.36Å; V396-M400 HydrophobicContact CG1-CG 4.22Å; V396-M400 HydrophobicContact CG1-SD 3.65Å; V396-M400 VanDerWaalsContact O-CB 3.28Å; V396-M400 WeakPolarHBondContact O-CB 3.16Å; V396-M400 WeakPolarHBondContact O-CG 3.33Å; V396-M400 PolarHBondContact O-N 3.1Å; L398-M400 PolarHBondContact O-N 3.36Å; M400-F404 HydrophobicContact CB-CD1 4.19Å; M400-F404 HydrophobicContact CB-CE1 4.32Å; M400-F404 HydrophobicContact CB-CG 4.4Å; M400-F404 HydrophobicContact CE-CD1 4.2Å; M400-F404 HydrophobicContact CE-CE1 3.36Å; M400-F404 HydrophobicContact CE-CZ 3.77Å; M400-F404 HydrophobicContact CG-CD1 4.42Å; M400-F404 HydrophobicContact CG-CE1 4.09Å; M400-F404 HydrophobicContact CG-CE2 4.33Å; M400-F404 HydrophobicContact CG-CZ 4.05Å; M400-F404 WeakPolarHBondContact O-CB 3.41Å; M400-L409 HydrophobicContact CE-CD1 3.65Å; M400-L409 HydrophobicContact CE-CD2 3.5Å; M400-L409 VanDerWaalsContact CE-CD2 3.5Å; M400-L409 HydrophobicContact CE-CG 3.67Å; M400-L409 HydrophobicContact SD-CD2 4.08Å; M400-L431 HydrophobicContact CE-CD2 4.42Å; M400-L431 HydrophobicContact SD-CD2 3.67Å; M400-F435 HydrophobicContact CE-CE2 3.45Å; M400-F435 VanDerWaalsContact CE-CE2 3.45Å; M400-F435 HydrophobicContact CE-CZ 3.35Å; M400-F435 HydrophobicContact SD-CE2 3.71Å; M400-F435 HydrophobicContact SD-CZ 3.94Å |
| 401 | A | 82.3 | Confident | 83.2 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -61.1 | 144.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K367 Q397 L398 P403 | K367-A401 PolarHBondContact NZ-O 3.4Å; Q397-A401 PolarHBondContact O-N 3.15Å; L398-A401 WeakPolarHBondContact O-CB 3.39Å; L398-A401 PolarHBondContact O-N 2.93Å; A401-P403 CarbonylContact O-C 3.6Å |
| 402 | P | 71.2 | Confident | 83.3 | Confident | 121 Ų | 121 | 54.7 Ų | 54.7 | 79% | 0.786 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -61.9 | 141.8 | 176.6 | 26.5 | -34.3 | 0 | 0 | 0 | 111.2 | ||
| 403 | P | 69 | Low | 83.4 | Confident | 84 Ų | 84 | 53 Ų | 53 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | S | Bend | cis | -68.7 | 135.4 | -4.7 | 30 | -35.4 | 0 | 0 | 0 | 112.3 | K367 A401 Y1255 | K367-P403 PolarHBondContact NZ-O 3.34Å; A401-P403 CarbonylContact O-C 3.6Å; P403-Y1255 WeakPolarHBondContact CA-OH 3.49Å; P403-Y1255 HydrophobicContact CB-CE1 4.22Å; P403-Y1255 WeakPolarHBondContact CB-OH 3.3Å |
| 404 | F | 71.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | trans | -153.7 | 130.2 | 178.7 | 174.3 | -116.4 | 0 | 0 | 0 | 110.9 | V373 L384 L399 M400 I408 L409 | V373-F404 HydrophobicContact CG1-CD2 4.42Å; V373-F404 HydrophobicContact CG1-CE2 4.41Å; L384-F404 HydrophobicContact CD1-CD2 4.48Å; L384-F404 HydrophobicContact CD1-CE2 3.37Å; L384-F404 HydrophobicContact CD1-CZ 3.59Å; L399-F404 WeakPolarHBondContact O-CD2 3.25Å; M400-F404 HydrophobicContact CB-CD1 4.19Å; M400-F404 HydrophobicContact CB-CE1 4.32Å; M400-F404 HydrophobicContact CB-CG 4.4Å; M400-F404 HydrophobicContact CE-CD1 4.2Å; M400-F404 HydrophobicContact CE-CE1 3.36Å; M400-F404 HydrophobicContact CE-CZ 3.77Å; M400-F404 HydrophobicContact CG-CD1 4.42Å; M400-F404 HydrophobicContact CG-CE1 4.09Å; M400-F404 HydrophobicContact CG-CE2 4.33Å; M400-F404 HydrophobicContact CG-CZ 4.05Å; M400-F404 WeakPolarHBondContact O-CB 3.41Å; F404-I408 HydrophobicContact CE2-CB 4.05Å; F404-I408 HydrophobicContact CE2-CD1 4.18Å; F404-I408 HydrophobicContact CZ-CB 4.33Å; F404-L409 HydrophobicContact CE1-CG 4.48Å; F404-L409 HydrophobicContact CZ-CG 4.25Å | ||
| 405 | D | 76.7 | Confident | 83.5 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | trans | -89.4 | 112.1 | 173.1 | -179 | 1.3 | 0 | 0 | 0 | 110.7 | R407 I408 V1259 | D405-R407 VanDerWaalsContact CG-NE 3.33Å; D405-R407 PolarHBondContact O-N 3.34Å; D405-R407 VanDerWaalsContact O-N 3.14Å; D405-R407 VanDerWaalsContact OD1-CB 3.25Å; D405-R407 WeakPolarHBondContact OD1-CB 3.48Å; D405-R407 VanDerWaalsContact OD1-CG 3.3Å; D405-R407 WeakPolarHBondContact OD1-CG 3.2Å; D405-R407 IonicContact OD1-CZ 3.58Å; D405-R407 PolarHBondContact OD1-N 3.29Å; D405-R407 IonicContact OD1-NE 2.78Å; D405-R407 PolarHBondContact OD1-NE 3.36Å; D405-R407 IonicContact OD1-NH2 2.78Å; D405-R407 IonicContact OD2-CZ 3.5Å; D405-R407 IonicContact OD2-NE 2.69Å; D405-R407 PolarHBondContact OD2-NE 3.03Å; D405-R407 IonicContact OD2-NH2 2.74Å; D405-R407 PolarHBondContact OD2-NH2 2.94Å; D405-I408 HydrophobicContact CB-CD1 3.91Å; D405-I408 HydrophobicContact CB-CG1 4.07Å; D405-I408 WeakPolarHBondContact O-CB 3.47Å; D405-I408 WeakPolarHBondContact O-CG1 3.1Å; D405-I408 PolarHBondContact O-N 3.48Å; D405-V1259 HydrophobicContact CB-CG2 4.34Å | ||
| 406 | S | 76.5 | Confident | 83.3 | Confident | 77 Ų | 77 | 57 Ų | 57 | 54% | 0.538 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -62.7 | -18.5 | 179.8 | 62.9 | 0 | 0 | 0 | 0 | 114 | I408 L409 | S406-I408 PolarHBondContact O-N 2.99Å; S406-L409 WeakPolarHBondContact O-CB 3.41Å; S406-L409 PolarHBondContact O-N 3.45Å |
| 407 | R | 80.6 | Confident | 83.2 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -61.5 | -29.3 | 171.9 | -62 | 175.7 | -62.8 | -162.1 | 5.1 | 111.5 | D405 L409 Y410 Q411 D1015 | D405-R407 VanDerWaalsContact CG-NE 3.33Å; D405-R407 PolarHBondContact O-N 3.34Å; D405-R407 VanDerWaalsContact O-N 3.14Å; D405-R407 VanDerWaalsContact OD1-CB 3.25Å; D405-R407 WeakPolarHBondContact OD1-CB 3.48Å; D405-R407 VanDerWaalsContact OD1-CG 3.3Å; D405-R407 WeakPolarHBondContact OD1-CG 3.2Å; D405-R407 IonicContact OD1-CZ 3.58Å; D405-R407 PolarHBondContact OD1-N 3.29Å; D405-R407 IonicContact OD1-NE 2.78Å; D405-R407 PolarHBondContact OD1-NE 3.36Å; D405-R407 IonicContact OD1-NH2 2.78Å; D405-R407 IonicContact OD2-CZ 3.5Å; D405-R407 IonicContact OD2-NE 2.69Å; D405-R407 PolarHBondContact OD2-NE 3.03Å; D405-R407 IonicContact OD2-NH2 2.74Å; D405-R407 PolarHBondContact OD2-NH2 2.94Å; R407-L409 PolarHBondContact O-N 3.24Å; R407-L409 VanDerWaalsContact O-N 3.16Å; R407-Y410 CarbonylContact O-C 3.58Å; R407-Y410 PolarHBondContact O-N 3.11Å; R407-Q411 PolarHBondContact O-N 3.02Å; R407-D1015 IonicContact CZ-OD2 3.43Å; R407-D1015 IonicContact NH1-OD1 2.85Å; R407-D1015 PolarHBondContact NH1-OD1 3.07Å; R407-D1015 IonicContact NH1-OD2 3.79Å; R407-D1015 PolarHBondContact NH1-OD2 3.32Å |
| 408 | I | 83.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -63.4 | -23.7 | -178.6 | -55.3 | 169.5 | 0 | 0 | 0 | 112.1 | V373 T382 L384 F404 D405 S406 Y410 | V373-I408 HydrophobicContact CB-CD1 4.39Å; V373-I408 HydrophobicContact CG1-CD1 4.18Å; T382-I408 HydrophobicContact CG2-CG2 4.17Å; L384-I408 HydrophobicContact CB-CG2 4.4Å; L384-I408 HydrophobicContact CD1-CB 4.32Å; L384-I408 HydrophobicContact CD1-CG2 3.87Å; F404-I408 HydrophobicContact CE2-CB 4.05Å; F404-I408 HydrophobicContact CE2-CD1 4.18Å; F404-I408 HydrophobicContact CZ-CB 4.33Å; D405-I408 HydrophobicContact CB-CD1 3.91Å; D405-I408 HydrophobicContact CB-CG1 4.07Å; D405-I408 WeakPolarHBondContact O-CB 3.47Å; D405-I408 WeakPolarHBondContact O-CG1 3.1Å; D405-I408 PolarHBondContact O-N 3.48Å; S406-I408 PolarHBondContact O-N 2.99Å; I408-Y410 VanDerWaalsContact C-N 3.28Å; I408-Y410 PolarHBondContact O-N 3.35Å |
| 409 | L | 83.9 | Confident | 83.1 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65 | -31.9 | 172.3 | -78 | 178.6 | 0 | 0 | 0 | 113.9 | M400 F404 S406 R407 P419 Y420 L431 | M400-L409 HydrophobicContact CE-CD1 3.65Å; M400-L409 HydrophobicContact CE-CD2 3.5Å; M400-L409 VanDerWaalsContact CE-CD2 3.5Å; M400-L409 HydrophobicContact CE-CG 3.67Å; M400-L409 HydrophobicContact SD-CD2 4.08Å; F404-L409 HydrophobicContact CE1-CG 4.48Å; F404-L409 HydrophobicContact CZ-CG 4.25Å; S406-L409 WeakPolarHBondContact O-CB 3.41Å; S406-L409 PolarHBondContact O-N 3.45Å; R407-L409 PolarHBondContact O-N 3.24Å; R407-L409 VanDerWaalsContact O-N 3.16Å; L409-P419 WeakPolarHBondContact O-CD 3.34Å; L409-Y420 PolarHBondContact O-N 3.4Å; L409-L431 HydrophobicContact CD2-CD1 3.87Å; L409-L431 HydrophobicContact CD2-CD2 3.8Å |
| 410 | Y | 85.5 | Confident | 82.9 | Confident | 148 Ų | 148 | 60 Ų | 60 | 58% | 0.58 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -22.5 | -176.4 | -60.2 | -77.7 | 0 | 0 | 0 | 111.3 | R407 I408 P412 Y420 | R407-Y410 CarbonylContact O-C 3.58Å; R407-Y410 PolarHBondContact O-N 3.11Å; I408-Y410 VanDerWaalsContact C-N 3.28Å; I408-Y410 PolarHBondContact O-N 3.35Å; Y410-P412 WeakPolarHBondContact O-CD 3Å; Y410-P412 VanDerWaalsContact O-CG 3.3Å; Y410-P412 WeakPolarHBondContact O-CG 3.48Å; Y410-Y420 HydrophobicContact CE1-CG 4.44Å |
| 411 | Q | 84.5 | Confident | 83 | Confident | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | trans | -53.3 | 110.5 | 163.1 | -176.2 | 176.5 | -8.4 | 0 | 0 | 109.3 | T382 H385 R407 P419 D1260 A1261 N1262 | T382-Q411 HydrophobicContact CG2-CG 4.3Å; H385-Q411 PolarHBondContact CE1-O 3.45Å; R407-Q411 PolarHBondContact O-N 3.02Å; Q411-P419 WeakPolarHBondContact O-CD 3.07Å; Q411-D1260 PolarHBondContact NE2-O 3.33Å; Q411-D1260 VanDerWaalsContact NE2-O 3.11Å; Q411-A1261 PolarHBondContact NE2-O 3.14Å; Q411-N1262 WeakPolarHBondContact CG-O 3.48Å; Q411-N1262 PolarHBondContact NE2-O 3.43Å | ||
| 412 | P | 88.4 | Confident | 83.2 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | trans | -89.4 | -165.8 | -177.2 | -0.7 | 15.7 | 0 | 0 | 0 | 115.2 | H385 Y410 E417 T418 N1262 R1263 K1264 | H385-P412 PolarHBondContact CE1-O 3.14Å; H385-P412 WeakPolarHBondContact NE2-CA 3.39Å; H385-P412 PolarHBondContact NE2-O 3.27Å; Y410-P412 WeakPolarHBondContact O-CD 3Å; Y410-P412 VanDerWaalsContact O-CG 3.3Å; Y410-P412 WeakPolarHBondContact O-CG 3.48Å; P412-E417 WeakPolarHBondContact CB-O 3.39Å; P412-T418 HydrophobicContact CB-CG2 3.63Å; P412-T418 HydrophobicContact CG-CG2 4.04Å; P412-N1262 CarbonylContact O-C 3.56Å; P412-R1263 VanDerWaalsContact C-N 3.26Å; P412-R1263 VanDerWaalsContact CD-CA 3.49Å; P412-R1263 HydrophobicContact CG-CG 4.3Å; P412-R1263 PolarHBondContact O-N 3.29Å; P412-K1264 VanDerWaalsContact CB-C 3.49Å; P412-K1264 VanDerWaalsContact CB-CA 3.46Å; P412-K1264 VanDerWaalsContact CB-N 3.28Å | ||
| 413 | N | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -108.4 | -160.6 | 177.1 | 78.8 | -8.9 | 0 | 0 | 0 | 114.3 | G380 D381 H385 R389 I415 K416 E417 R1263 K1264 | G380-N413 WeakPolarHBondContact O-CA 3.5Å; D381-N413 WeakPolarHBondContact OD1-CB 3.13Å; D381-N413 PolarHBondContact OD1-ND2 3.07Å; H385-N413 PolarHBondContact NE2-N 2.77Å; R389-N413 PolarHBondContact NH2-ND2 3.44Å; N413-I415 PolarHBondContact OD1-N 2.62Å; N413-K416 PolarHBondContact OD1-N 2.94Å; N413-E417 VanDerWaalsContact CG-CB 3.44Å; N413-E417 PolarHBondContact N-O 3.14Å; N413-E417 WeakPolarHBondContact ND2-CB 3.27Å; N413-E417 PolarHBondContact ND2-OE1 3.4Å; N413-E417 WeakPolarHBondContact OD1-CA 3.1Å; N413-E417 WeakPolarHBondContact OD1-CB 3.5Å; N413-E417 PolarHBondContact OD1-N 2.84Å; N413-E417 PolarHBondContact OD1-O 3.06Å; N413-R1263 CarbonylContact O-C 3.21Å; N413-K1264 WeakPolarHBondContact O-CA 3.39Å; N413-K1264 WeakPolarHBondContact O-CB 3.48Å; N413-K1264 PolarHBondContact O-N 3.39Å | ||
| 414 | R | 88.5 | Confident | 84.6 | Confident | 146 Ų | 146 | 58.5 Ų | 58.5 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -83.4 | -36.7 | 169.5 | -70 | 177.9 | 174 | -169.1 | -10.2 | 114.8 | K378 N379 K416 K1264 | K378-R414 VanDerWaalsContact O-CD 3.22Å; K378-R414 WeakPolarHBondContact O-CD 3.37Å; K378-R414 PolarHBondContact O-NE 3.15Å; K378-R414 PolarHBondContact O-NH1 3.37Å; N379-R414 WeakPolarHBondContact O-CA 3.38Å; N379-R414 WeakPolarHBondContact O-CB 3.32Å; N379-R414 WeakPolarHBondContact O-CG 3.36Å; N379-R414 PolarHBondContact O-N 2.71Å; R414-K416 PolarHBondContact O-N 2.64Å; R414-K416 VanDerWaalsContact O-N 3.12Å; R414-K1264 WeakPolarHBondContact O-CD 3.32Å |
| 415 | I | 89.4 | Confident | 85.2 | Confident | 106 Ų | 106 | 57.3 Ų | 57.3 | 54% | 0.544 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -63.6 | -24.7 | -159.9 | -64.4 | 174.2 | 0 | 0 | 0 | 113.3 | N379 N413 | N379-I415 HydrophobicContact CB-CD1 4.45Å; N413-I415 PolarHBondContact OD1-N 2.62Å |
| 416 | K | 85.4 | Confident | 85.3 | Confident | 130 Ų | 130 | 56.2 Ų | 56.2 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 117.6 | 23.6 | -154.1 | 51.2 | 175.1 | -178.7 | 176.6 | 0 | 112.9 | N413 R414 K1264 L1265 L1266 | N413-K416 PolarHBondContact OD1-N 2.94Å; R414-K416 PolarHBondContact O-N 2.64Å; R414-K416 VanDerWaalsContact O-N 3.12Å; K416-K1264 HydrophobicContact CB-CB 3.76Å; K416-K1264 HydrophobicContact CB-CG 4.21Å; K416-K1264 HydrophobicContact CD-CG 4.31Å; K416-K1264 HydrophobicContact CG-CB 4.2Å; K416-K1264 HydrophobicContact CG-CG 4.22Å; K416-L1265 VanDerWaalsContact C-N 3.32Å; K416-L1265 HydrophobicContact CB-CB 3.49Å; K416-L1265 VanDerWaalsContact CB-CB 3.49Å; K416-L1265 CarbonylContact O-C 3.57Å; K416-L1266 VanDerWaalsContact C-N 3.3Å; K416-L1266 CarbonylContact O-C 3.57Å; K416-L1266 WeakPolarHBondContact O-CA 3.42Å; K416-L1266 PolarHBondContact O-N 3.42Å |
| 417 | E | 88 | Confident | 85 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 16% | 0.159 | 25% | 0.253 | C | S | . | . | trans | -140 | 162.9 | -167.1 | -109.7 | 178.1 | -40.9 | 0 | 0 | 114 | R389 P412 N413 I422 K1264 L1265 L1266 | R389-E417 IonicContact CZ-OE1 3.67Å; R389-E417 IonicContact CZ-OE2 2.59Å; R389-E417 IonicContact NE-OE1 3.86Å; R389-E417 IonicContact NE-OE2 3.2Å; R389-E417 PolarHBondContact NE-OE2 2.91Å; R389-E417 IonicContact NH2-OE1 2.69Å; R389-E417 PolarHBondContact NH2-OE1 2.89Å; R389-E417 IonicContact NH2-OE2 3.56Å; R389-E417 PolarHBondContact NH2-OE2 3.42Å; R389-E417 VanDerWaalsContact NH2-OE2 3.16Å; P412-E417 WeakPolarHBondContact CB-O 3.39Å; N413-E417 VanDerWaalsContact CG-CB 3.44Å; N413-E417 PolarHBondContact N-O 3.14Å; N413-E417 WeakPolarHBondContact ND2-CB 3.27Å; N413-E417 PolarHBondContact ND2-OE1 3.4Å; N413-E417 WeakPolarHBondContact OD1-CA 3.1Å; N413-E417 WeakPolarHBondContact OD1-CB 3.5Å; N413-E417 PolarHBondContact OD1-N 2.84Å; N413-E417 PolarHBondContact OD1-O 3.06Å; E417-I422 HydrophobicContact CB-CD1 4.37Å; E417-I422 HydrophobicContact CB-CG1 4.5Å; E417-I422 HydrophobicContact CG-CD1 4.21Å; E417-I422 HydrophobicContact CG-CG1 3.95Å; E417-I422 WeakPolarHBondContact OE2-CD1 3.35Å; E417-I422 WeakPolarHBondContact OE2-CG1 3.22Å; E417-K1264 CarbonylContact O-C 3.49Å; E417-L1265 VanDerWaalsContact C-N 3.32Å; E417-L1265 PolarHBondContact O-N 2.73Å; E417-L1266 VanDerWaalsContact CA-N 3.28Å; E417-L1266 WeakPolarHBondContact CG-O 3.12Å | ||
| 418 | T | 89.4 | Confident | 84.7 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | trans | -143.5 | 161 | 167.1 | 116.1 | 0 | 0 | 0 | 0 | 112.8 | P412 Y420 S421 I422 L1265 | P412-T418 HydrophobicContact CB-CG2 3.63Å; P412-T418 HydrophobicContact CG-CG2 4.04Å; T418-Y420 PolarHBondContact O-N 3.3Å; T418-Y420 PolarHBondContact OG1-N 3.08Å; T418-S421 WeakPolarHBondContact CG2-OG 3.24Å; T418-S421 PolarHBondContact N-OG 3.4Å; T418-S421 PolarHBondContact O-N 3.01Å; T418-S421 PolarHBondContact O-OG 3.13Å; T418-S421 VanDerWaalsContact O-OG 3.09Å; T418-S421 PolarHBondContact OG1-N 3.13Å; T418-I422 WeakPolarHBondContact O-CB 3.17Å; T418-I422 VanDerWaalsContact O-CD1 3.27Å; T418-I422 WeakPolarHBondContact O-CD1 3.45Å; T418-I422 WeakPolarHBondContact O-CG1 3.24Å; T418-I422 PolarHBondContact O-N 3.2Å; T418-L1265 WeakPolarHBondContact CG2-O 3.22Å | ||
| 419 | P | 87.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 178.9 | -17.3 | 32.2 | 0 | 0 | 0 | 112.5 | H385 L409 Q411 S421 I422 D423 | H385-P419 VanDerWaalsContact CE1-CG 3.48Å; H385-P419 WeakPolarHBondContact CE1-CG 3.44Å; H385-P419 VanDerWaalsContact NE2-CD 3.26Å; H385-P419 WeakPolarHBondContact NE2-CD 3.27Å; L409-P419 WeakPolarHBondContact O-CD 3.34Å; Q411-P419 WeakPolarHBondContact O-CD 3.07Å; P419-S421 VanDerWaalsContact C-N 3.32Å; P419-S421 PolarHBondContact O-N 2.91Å; P419-I422 PolarHBondContact O-N 3.44Å; P419-D423 WeakPolarHBondContact O-CB 3.29Å; P419-D423 PolarHBondContact O-N 3.17Å |
| 420 | Y | 85.1 | Confident | 84.1 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -34.2 | 175.5 | -177.6 | -102.7 | 0 | 0 | 0 | 112.1 | L409 Y410 T418 R424 L431 | L409-Y420 PolarHBondContact O-N 3.4Å; Y410-Y420 HydrophobicContact CE1-CG 4.44Å; T418-Y420 PolarHBondContact O-N 3.3Å; T418-Y420 PolarHBondContact OG1-N 3.08Å; Y420-R424 VanDerWaalsContact O-CB 3.26Å; Y420-R424 WeakPolarHBondContact O-CB 3.43Å; Y420-R424 PolarHBondContact O-N 3.14Å; Y420-L431 HydrophobicContact CD2-CD1 4.06Å |
| 421 | S | 87 | Confident | 83.7 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.3 | -36 | 176.9 | 72.7 | 0 | 0 | 0 | 0 | 113 | T418 P419 R424 A425 L1265 | T418-S421 WeakPolarHBondContact CG2-OG 3.24Å; T418-S421 PolarHBondContact N-OG 3.4Å; T418-S421 PolarHBondContact O-N 3.01Å; T418-S421 PolarHBondContact O-OG 3.13Å; T418-S421 VanDerWaalsContact O-OG 3.09Å; T418-S421 PolarHBondContact OG1-N 3.13Å; P419-S421 VanDerWaalsContact C-N 3.32Å; P419-S421 PolarHBondContact O-N 2.91Å; S421-R424 PolarHBondContact O-N 2.98Å; S421-A425 WeakPolarHBondContact O-CB 3.36Å; S421-A425 PolarHBondContact O-N 3.49Å; S421-L1265 WeakPolarHBondContact CB-O 3.49Å; S421-L1265 PolarHBondContact OG-O 3.28Å |
| 422 | I | 87.4 | Confident | 83 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 171.7 | -66.1 | 159.2 | 0 | 0 | 0 | 110.4 | H385 V388 R389 E417 T418 P419 A425 S426 | H385-I422 HydrophobicContact CB-CD1 4.41Å; V388-I422 HydrophobicContact CB-CG2 4.42Å; V388-I422 HydrophobicContact CG1-CB 4.13Å; V388-I422 HydrophobicContact CG1-CG2 3.75Å; R389-I422 HydrophobicContact CB-CG2 4.49Å; R389-I422 HydrophobicContact CG-CD1 4.09Å; R389-I422 HydrophobicContact CG-CG2 3.59Å; E417-I422 HydrophobicContact CB-CD1 4.37Å; E417-I422 HydrophobicContact CB-CG1 4.5Å; E417-I422 HydrophobicContact CG-CD1 4.21Å; E417-I422 HydrophobicContact CG-CG1 3.95Å; E417-I422 WeakPolarHBondContact OE2-CD1 3.35Å; E417-I422 WeakPolarHBondContact OE2-CG1 3.22Å; T418-I422 WeakPolarHBondContact O-CB 3.17Å; T418-I422 VanDerWaalsContact O-CD1 3.27Å; T418-I422 WeakPolarHBondContact O-CD1 3.45Å; T418-I422 WeakPolarHBondContact O-CG1 3.24Å; T418-I422 PolarHBondContact O-N 3.2Å; P419-I422 PolarHBondContact O-N 3.44Å; I422-A425 PolarHBondContact O-N 3.4Å; I422-S426 PolarHBondContact O-N 3.5Å |
| 423 | D | 86.6 | Confident | 82.1 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.032 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 177 | -159.1 | 71.5 | 0 | 0 | 0 | 111 | V388 P419 A425 S426 P429 V430 L431 | V388-D423 HydrophobicContact CG1-CB 3.75Å; P419-D423 WeakPolarHBondContact O-CB 3.29Å; P419-D423 PolarHBondContact O-N 3.17Å; D423-A425 VanDerWaalsContact C-N 3.3Å; D423-A425 PolarHBondContact O-N 2.88Å; D423-S426 WeakPolarHBondContact O-CB 2.96Å; D423-S426 PolarHBondContact O-N 3.06Å; D423-S426 VanDerWaalsContact O-N 3.1Å; D423-S426 PolarHBondContact O-OG 3.37Å; D423-P429 VanDerWaalsContact OD2-C 3.28Å; D423-P429 VanDerWaalsContact OD2-CA 3.27Å; D423-P429 WeakPolarHBondContact OD2-CA 3.4Å; D423-P429 WeakPolarHBondContact OD2-CB 3.33Å; D423-V430 VanDerWaalsContact CG-N 3.31Å; D423-V430 WeakPolarHBondContact OD1-CA 3.47Å; D423-V430 WeakPolarHBondContact OD1-CB 3.11Å; D423-V430 PolarHBondContact OD1-N 3.22Å; D423-V430 PolarHBondContact OD2-N 3Å; D423-L431 HydrophobicContact CB-CB 4.47Å; D423-L431 HydrophobicContact CB-CD1 3.75Å; D423-L431 HydrophobicContact CB-CG 3.99Å; D423-L431 VanDerWaalsContact CG-N 3.31Å; D423-L431 PolarHBondContact OD1-N 3.15Å; D423-L431 VanDerWaalsContact OD1-N 3.09Å; D423-L431 VanDerWaalsContact OD2-CB 3.24Å; D423-L431 WeakPolarHBondContact OD2-CB 3.46Å; D423-L431 PolarHBondContact OD2-N 3.43Å |
| 424 | R | 83.8 | Confident | 81.1 | Confident | 195 Ų | 195 | 69.8 Ų | 69.8 | 74% | 0.736 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.8 | -32.5 | 177.9 | 179.9 | 178.7 | 177.7 | 176 | 2.8 | 113.4 | Y420 S421 S426 | Y420-R424 VanDerWaalsContact O-CB 3.26Å; Y420-R424 WeakPolarHBondContact O-CB 3.43Å; Y420-R424 PolarHBondContact O-N 3.14Å; S421-R424 PolarHBondContact O-N 2.98Å; R424-S426 VanDerWaalsContact C-N 3.25Å |
| 425 | A | 82.1 | Confident | 79.9 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.6 | -19.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S421 I422 D423 N1267 | S421-A425 WeakPolarHBondContact O-CB 3.36Å; S421-A425 PolarHBondContact O-N 3.49Å; I422-A425 PolarHBondContact O-N 3.4Å; D423-A425 VanDerWaalsContact C-N 3.3Å; D423-A425 PolarHBondContact O-N 2.88Å; A425-N1267 WeakPolarHBondContact CB-O 3.35Å |
| 426 | S | 78.6 | Confident | 77.8 | Confident | 10 Ų | 10 | 65.2 Ų | 65.2 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -88.4 | 142.8 | -177.7 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | I422 D423 R424 R428 P429 | I422-S426 PolarHBondContact O-N 3.5Å; D423-S426 WeakPolarHBondContact O-CB 2.96Å; D423-S426 PolarHBondContact O-N 3.06Å; D423-S426 VanDerWaalsContact O-N 3.1Å; D423-S426 PolarHBondContact O-OG 3.37Å; R424-S426 VanDerWaalsContact C-N 3.25Å; S426-R428 PolarHBondContact O-N 3.11Å; S426-R428 PolarHBondContact OG-O 2.85Å; S426-P429 WeakPolarHBondContact O-CD 3.43Å |
| 427 | N | 71.5 | Confident | 75.7 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -65.9 | -7.9 | 177.4 | -53.6 | -8.2 | 0 | 0 | 0 | 113.3 | D1270 S1271 | N427-D1270 VanDerWaalsContact ND2-C 3.28Å; N427-D1270 PolarHBondContact ND2-O 3.14Å; N427-S1271 PolarHBondContact ND2-O 3.31Å |
| 428 | R | 74 | Confident | 73.1 | Confident | 203 Ų | 203 | 66.7 Ų | 66.7 | 77% | 0.766 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -137 | 74.2 | 176.6 | -66.5 | -170.9 | -178.4 | -175.2 | 1.6 | 110.5 | S426 V430 | S426-R428 PolarHBondContact O-N 3.11Å; S426-R428 PolarHBondContact OG-O 2.85Å; R428-V430 PolarHBondContact O-N 3.18Å; R428-V430 VanDerWaalsContact O-N 3.14Å |
| 429 | P | 74.5 | Confident | 70.5 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | trans | -59.9 | 114.7 | -177 | 22.1 | -32.6 | 0 | 0 | 0 | 111.5 | D423 S426 R432 H433 | D423-P429 VanDerWaalsContact OD2-C 3.28Å; D423-P429 VanDerWaalsContact OD2-CA 3.27Å; D423-P429 WeakPolarHBondContact OD2-CA 3.4Å; D423-P429 WeakPolarHBondContact OD2-CB 3.33Å; S426-P429 WeakPolarHBondContact O-CD 3.43Å; P429-R432 HydrophobicContact CB-CB 3.91Å; P429-R432 HydrophobicContact CG-CB 3.83Å; P429-R432 PolarHBondContact O-N 3.44Å; P429-H433 PolarHBondContact O-N 2.96Å; P429-H433 PolarHBondContact O-ND1 3.08Å | ||
| 430 | V | 79.1 | Confident | 68.2 | Low | 8 Ų | 8 | 75.2 Ų | 75.2 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -40.3 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 111 | R391 R393 V396 D423 R428 R432 H433 I434 | R391-V430 HydrophobicContact CB-CG2 4.26Å; R393-V430 HydrophobicContact CB-CG1 3.98Å; R393-V430 HydrophobicContact CG-CG1 4.23Å; V396-V430 HydrophobicContact CB-CG1 4.11Å; V396-V430 HydrophobicContact CG1-CG1 4.44Å; V396-V430 HydrophobicContact CG2-CG1 4.08Å; D423-V430 VanDerWaalsContact CG-N 3.31Å; D423-V430 WeakPolarHBondContact OD1-CA 3.47Å; D423-V430 WeakPolarHBondContact OD1-CB 3.11Å; D423-V430 PolarHBondContact OD1-N 3.22Å; D423-V430 PolarHBondContact OD2-N 3Å; R428-V430 PolarHBondContact O-N 3.18Å; R428-V430 VanDerWaalsContact O-N 3.14Å; V430-R432 VanDerWaalsContact C-N 3.26Å; V430-R432 PolarHBondContact O-N 2.97Å; V430-H433 CarbonylContact O-C 3.56Å; V430-H433 WeakPolarHBondContact O-CA 3.39Å; V430-H433 PolarHBondContact O-N 3.24Å; V430-I434 HydrophobicContact CG1-CD1 3.88Å; V430-I434 WeakPolarHBondContact O-CG1 3.34Å; V430-I434 PolarHBondContact O-N 3.23Å |
| 431 | L | 77.1 | Confident | 65.9 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -36.4 | 176.5 | -59.1 | 173.3 | 0 | 0 | 0 | 110.7 | V396 M400 L409 Y420 D423 H433 I434 F435 | V396-L431 HydrophobicContact CG1-CD2 3.81Å; M400-L431 HydrophobicContact CE-CD2 4.42Å; M400-L431 HydrophobicContact SD-CD2 3.67Å; L409-L431 HydrophobicContact CD2-CD1 3.87Å; L409-L431 HydrophobicContact CD2-CD2 3.8Å; Y420-L431 HydrophobicContact CD2-CD1 4.06Å; D423-L431 HydrophobicContact CB-CB 4.47Å; D423-L431 HydrophobicContact CB-CD1 3.75Å; D423-L431 HydrophobicContact CB-CG 3.99Å; D423-L431 VanDerWaalsContact CG-N 3.31Å; D423-L431 PolarHBondContact OD1-N 3.15Å; D423-L431 VanDerWaalsContact OD1-N 3.09Å; D423-L431 VanDerWaalsContact OD2-CB 3.24Å; D423-L431 WeakPolarHBondContact OD2-CB 3.46Å; D423-L431 PolarHBondContact OD2-N 3.43Å; L431-H433 PolarHBondContact O-N 3.35Å; L431-I434 PolarHBondContact O-N 3.32Å; L431-F435 HydrophobicContact CB-CD2 4.39Å; L431-F435 HydrophobicContact CD2-CE2 4.19Å; L431-F435 WeakPolarHBondContact O-CD2 3.43Å; L431-F435 PolarHBondContact O-N 2.94Å |
| 432 | R | 71.5 | Confident | 63.6 | Low | 180 Ų | 180 | 78.3 Ų | 78.3 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.4 | -26.9 | 172.8 | -168.4 | 177.8 | 178.3 | -170.8 | -1.5 | 112.8 | P429 V430 G436 | P429-R432 HydrophobicContact CB-CB 3.91Å; P429-R432 HydrophobicContact CG-CB 3.83Å; P429-R432 PolarHBondContact O-N 3.44Å; V430-R432 VanDerWaalsContact C-N 3.26Å; V430-R432 PolarHBondContact O-N 2.97Å; R432-G436 WeakPolarHBondContact O-CA 3.35Å; R432-G436 PolarHBondContact O-N 3.17Å |
| 433 | H | 68.4 | Low | 61.3 | Low | 96 Ų | 96 | 82.8 Ų | 82.8 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -87.2 | -3.2 | 173.7 | -66.1 | 87.4 | 0 | 0 | 0 | 113.8 | R393 P429 V430 L431 | R393-H433 VanDerWaalsContact CZ-O 3.3Å; R393-H433 PolarHBondContact NE-O 2.92Å; R393-H433 PolarHBondContact NH2-O 2.81Å; P429-H433 PolarHBondContact O-N 2.96Å; P429-H433 PolarHBondContact O-ND1 3.08Å; V430-H433 CarbonylContact O-C 3.56Å; V430-H433 WeakPolarHBondContact O-CA 3.39Å; V430-H433 PolarHBondContact O-N 3.24Å; L431-H433 PolarHBondContact O-N 3.35Å |
| 434 | I | 68.1 | Low | 58.9 | Low | 38 Ų | 38 | 85.6 Ų | 85.6 | 20% | 0.195 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -106.3 | -39.1 | 176.7 | -64.2 | 169.6 | 0 | 0 | 0 | 110.8 | R393 V396 Q397 V430 L431 | R393-I434 HydrophobicContact CG-CD1 4.41Å; R393-I434 HydrophobicContact CG-CG1 4.23Å; V396-I434 HydrophobicContact CB-CD1 3.84Å; V396-I434 HydrophobicContact CG1-CD1 3.5Å; V396-I434 VanDerWaalsContact CG1-CD1 3.5Å; Q397-I434 HydrophobicContact CG-CD1 3.68Å; Q397-I434 HydrophobicContact CG-CG1 3.75Å; Q397-I434 HydrophobicContact CG-CG2 4.39Å; V430-I434 HydrophobicContact CG1-CD1 3.88Å; V430-I434 WeakPolarHBondContact O-CG1 3.34Å; V430-I434 PolarHBondContact O-N 3.23Å; L431-I434 PolarHBondContact O-N 3.32Å |
| 435 | F | 64.2 | Low | 56.7 | Low | 132 Ų | 132 | 80.2 Ų | 80.2 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -112 | -7.5 | -177.5 | -59.5 | -76.3 | 0 | 0 | 0 | 114.5 | M400 L431 | M400-F435 HydrophobicContact CE-CE2 3.45Å; M400-F435 VanDerWaalsContact CE-CE2 3.45Å; M400-F435 HydrophobicContact CE-CZ 3.35Å; M400-F435 HydrophobicContact SD-CE2 3.71Å; M400-F435 HydrophobicContact SD-CZ 3.94Å; L431-F435 HydrophobicContact CB-CD2 4.39Å; L431-F435 HydrophobicContact CD2-CE2 4.19Å; L431-F435 WeakPolarHBondContact O-CD2 3.43Å; L431-F435 PolarHBondContact O-N 2.94Å |
| 436 | G | 45.3 | Very low | 54.6 | Low | 24 Ų | 24 | 82.1 Ų | 82.1 | 25% | 0.247 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -80.8 | -178 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R432 L438 | R432-G436 WeakPolarHBondContact O-CA 3.35Å; R432-G436 PolarHBondContact O-N 3.17Å; G436-L438 PolarHBondContact O-N 2.82Å |
| 437 | P | 40.7 | Very low | 52.6 | Low | 103 Ų | 103 | 89.3 Ų | 89.3 | 67% | 0.669 | 46% | 0.464 | S | S | * | . | trans | -74.8 | 95.5 | -163 | 29.4 | -35.6 | 0 | 0 | 0 | 113.4 | ||||
| 438 | L | 33.3 | Very low | 51.2 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -75.6 | 117.9 | 149.6 | -82.4 | 68.3 | 0 | 0 | 0 | 107.7 | G436 | G436-L438 PolarHBondContact O-N 2.82Š|
| 439 | D | 34.7 | Very low | 49.7 | Very low | 122 Ų | 122 | 79.9 Ų | 79.9 | 65% | 0.652 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 44.7 | 68.7 | 172.5 | -52.1 | -40 | 0 | 0 | 0 | 114.5 | A441 L442 K443 | D439-A441 CarbonylContact O-C 3.59Å; D439-A441 PolarHBondContact O-N 3.13Å; D439-L442 PolarHBondContact O-N 2.64Å; D439-K443 PolarHBondContact O-N 2.95Å |
| 440 | S | 38.8 | Very low | 48.6 | Very low | 75 Ų | 75 | 82.3 Ų | 82.3 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 3.6 | -177.1 | 52.4 | 0 | 0 | 0 | 0 | 115.6 | T444 | S440-T444 WeakPolarHBondContact O-CB 3.37Å; S440-T444 WeakPolarHBondContact O-CG2 3.45Å; S440-T444 PolarHBondContact O-OG1 3.38Å |
| 441 | A | 36.6 | Very low | 47.1 | Very low | 59 Ų | 59 | 86.8 Ų | 86.8 | 49% | 0.488 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -85.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | D439 K443 T444 E445 | D439-A441 CarbonylContact O-C 3.59Å; D439-A441 PolarHBondContact O-N 3.13Å; A441-K443 PolarHBondContact O-N 3.05Å; A441-T444 PolarHBondContact O-N 3.29Å; A441-T444 PolarHBondContact O-OG1 3.25Å; A441-T444 VanDerWaalsContact O-OG1 3.07Å; A441-E445 PolarHBondContact O-N 3.32Å |
| 442 | L | 38.9 | Very low | 45.7 | Very low | 136 Ų | 136 | 91.7 Ų | 91.7 | 71% | 0.712 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -51.1 | -34.9 | -175.2 | -97.8 | 68.9 | 0 | 0 | 0 | 114.6 | D439 | D439-L442 PolarHBondContact O-N 2.64Å |
| 443 | K | 38.9 | Very low | 44.8 | Very low | 110 Ų | 110 | 86.4 Ų | 86.4 | 48% | 0.478 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -86.7 | -19.7 | 179.9 | -82.1 | 176.2 | 177.6 | 164.4 | 0 | 115 | D439 A441 M447 | D439-K443 PolarHBondContact O-N 2.95Å; A441-K443 PolarHBondContact O-N 3.05Å; K443-M447 VanDerWaalsContact O-CB 3.3Å; K443-M447 WeakPolarHBondContact O-CB 3.42Å; K443-M447 WeakPolarHBondContact O-CG 3.33Å; K443-M447 PolarHBondContact O-N 2.82Å |
| 444 | T | 37 | Very low | 44.3 | Very low | 64 Ų | 64 | 82.1 Ų | 82.1 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -76.5 | -30.9 | 170.5 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | S440 A441 A446 M447 M448 | S440-T444 WeakPolarHBondContact O-CB 3.37Å; S440-T444 WeakPolarHBondContact O-CG2 3.45Å; S440-T444 PolarHBondContact O-OG1 3.38Å; A441-T444 PolarHBondContact O-N 3.29Å; A441-T444 PolarHBondContact O-OG1 3.25Å; A441-T444 VanDerWaalsContact O-OG1 3.07Å; T444-A446 PolarHBondContact O-N 2.75Å; T444-M447 PolarHBondContact O-N 3.1Å; T444-M448 VanDerWaalsContact O-CB 3.3Å; T444-M448 WeakPolarHBondContact O-CB 3.15Å; T444-M448 WeakPolarHBondContact O-CG 3.1Å; T444-M448 PolarHBondContact O-N 3.33Å |
| 445 | E | 37.2 | Very low | 43.6 | Very low | 82 Ų | 82 | 82.4 Ų | 82.4 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.4 | -38 | 173.2 | -67.8 | 172.5 | -149 | 0 | 0 | 112.3 | A441 | A441-E445 PolarHBondContact O-N 3.32Å |
| 446 | A | 38.6 | Very low | 43.2 | Very low | 59 Ų | 59 | 79.3 Ų | 79.3 | 49% | 0.488 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.3 | -53.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T444 M448 G449 | T444-A446 PolarHBondContact O-N 2.75Å; A446-M448 VanDerWaalsContact C-N 3.33Å; A446-M448 PolarHBondContact O-N 3.39Å; A446-G449 PolarHBondContact O-N 3.47Å |
| 447 | M | 37.3 | Very low | 43.9 | Very low | 161 Ų | 161 | 78.7 Ų | 78.7 | 79% | 0.793 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.7 | -26.3 | -172.1 | -79.2 | -168.8 | 167.2 | 0 | 0 | 115.1 | K443 T444 G449 | K443-M447 VanDerWaalsContact O-CB 3.3Å; K443-M447 WeakPolarHBondContact O-CB 3.42Å; K443-M447 WeakPolarHBondContact O-CG 3.33Å; K443-M447 PolarHBondContact O-N 2.82Å; T444-M447 PolarHBondContact O-N 3.1Å; M447-G449 PolarHBondContact O-N 3.16Å; M447-G449 VanDerWaalsContact O-N 3.14Å |
| 448 | M | 41 | Very low | 45 | Very low | 95 Ų | 95 | 73.8 Ų | 73.8 | 47% | 0.468 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.1 | 174.3 | -72.5 | -72.6 | -81.8 | 0 | 0 | 111.7 | T444 A446 Y450 R902 | T444-M448 VanDerWaalsContact O-CB 3.3Å; T444-M448 WeakPolarHBondContact O-CB 3.15Å; T444-M448 WeakPolarHBondContact O-CG 3.1Å; T444-M448 PolarHBondContact O-N 3.33Å; A446-M448 VanDerWaalsContact C-N 3.33Å; A446-M448 PolarHBondContact O-N 3.39Å; M448-Y450 VanDerWaalsContact C-N 3.31Å; M448-Y450 HydrophobicContact CB-CD2 3.52Å; M448-Y450 HydrophobicContact CB-CE2 3.64Å; M448-Y450 HydrophobicContact CB-CG 4.17Å; M448-Y450 HydrophobicContact CE-CE2 3.72Å; M448-Y450 WeakPolarHBondContact CE-OH 3.18Å; M448-Y450 HydrophobicContact CG-CD2 4.26Å; M448-Y450 HydrophobicContact CG-CE2 3.97Å; M448-R902 PolarHBondContact O-NH1 2.98Å; M448-R902 PolarHBondContact O-NH2 3.49Å |
| 449 | G | 43 | Very low | 46.2 | Very low | 5 Ų | 5 | 72.2 Ų | 72.2 | 5% | 0.052 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 27.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A446 M447 E451 L452 Y453 | A446-G449 PolarHBondContact O-N 3.47Å; M447-G449 PolarHBondContact O-N 3.16Å; M447-G449 VanDerWaalsContact O-N 3.14Å; G449-E451 PolarHBondContact O-N 2.75Å; G449-L452 PolarHBondContact O-N 3.05Å; G449-Y453 WeakPolarHBondContact O-CB 3.41Å; G449-Y453 PolarHBondContact O-N 3.31Å |
| 450 | Y | 50.3 | Low | 47.4 | Very low | 80 Ų | 80 | 69.7 Ų | 69.7 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66 | -29.2 | 175.7 | -74.5 | -50.8 | 0 | 0 | 0 | 112.2 | M448 S454 L485 | M448-Y450 VanDerWaalsContact C-N 3.31Å; M448-Y450 HydrophobicContact CB-CD2 3.52Å; M448-Y450 HydrophobicContact CB-CE2 3.64Å; M448-Y450 HydrophobicContact CB-CG 4.17Å; M448-Y450 HydrophobicContact CE-CE2 3.72Å; M448-Y450 WeakPolarHBondContact CE-OH 3.18Å; M448-Y450 HydrophobicContact CG-CD2 4.26Å; M448-Y450 HydrophobicContact CG-CE2 3.97Å; Y450-S454 VanDerWaalsContact O-CB 3.24Å; Y450-S454 WeakPolarHBondContact O-CB 3.26Å; Y450-S454 PolarHBondContact O-N 3.26Å; Y450-S454 PolarHBondContact O-OG 3.3Å; Y450-L485 HydrophobicContact CD1-CD1 3.4Å; Y450-L485 HydrophobicContact CE1-CD1 3.81Å; Y450-L485 HydrophobicContact CG-CD1 4.2Å |
| 451 | E | 48.8 | Very low | 48.8 | Very low | 103 Ų | 103 | 66.3 Ų | 66.3 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.5 | -54.9 | 171.1 | -73.4 | 175.7 | 177.6 | 0 | 0 | 111.1 | G449 Y453 S454 S455 K488 | G449-E451 PolarHBondContact O-N 2.75Å; E451-Y453 VanDerWaalsContact C-N 3.26Å; E451-Y453 PolarHBondContact O-N 2.71Å; E451-S454 WeakPolarHBondContact CA-OG 3.3Å; E451-S454 CarbonylContact O-C 3.35Å; E451-S454 PolarHBondContact O-N 2.77Å; E451-S454 PolarHBondContact O-OG 2.97Å; E451-S455 PolarHBondContact O-N 2.73Å; E451-S455 PolarHBondContact O-OG 2.96Å; E451-K488 HydrophobicContact CG-CD 3.95Å; E451-K488 IonicContact OE1-NZ 3.54Å; E451-K488 PolarHBondContact OE1-NZ 3.32Å |
| 452 | L | 47.7 | Very low | 50.3 | Low | 110 Ų | 110 | 64.6 Ų | 64.6 | 58% | 0.576 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -54.1 | -40.1 | 173.1 | -83.8 | 162.3 | 0 | 0 | 0 | 112.7 | G449 S455 V456 | G449-L452 PolarHBondContact O-N 3.05Å; L452-S455 PolarHBondContact O-OG 2.72Å; L452-S455 VanDerWaalsContact O-OG 3.13Å; L452-V456 VanDerWaalsContact O-CB 3.29Å; L452-V456 WeakPolarHBondContact O-CB 3.49Å; L452-V456 WeakPolarHBondContact O-CG2 3.45Å; L452-V456 PolarHBondContact O-N 3.28Å |
| 453 | Y | 52.4 | Low | 51.4 | Low | 69 Ų | 69 | 59.4 Ų | 59.4 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 175.5 | -174.7 | -94.7 | 0 | 0 | 0 | 111.5 | G449 E451 L457 L474 L485 | G449-Y453 WeakPolarHBondContact O-CB 3.41Å; G449-Y453 PolarHBondContact O-N 3.31Å; E451-Y453 VanDerWaalsContact C-N 3.26Å; E451-Y453 PolarHBondContact O-N 2.71Å; Y453-L457 WeakPolarHBondContact O-CB 3.21Å; Y453-L457 PolarHBondContact O-N 2.83Å; Y453-L474 HydrophobicContact CE1-CD2 4.13Å; Y453-L485 HydrophobicContact CD1-CD1 4.06Å; Y453-L485 HydrophobicContact CD1-CD2 4.31Å; Y453-L485 HydrophobicContact CE1-CD1 4.46Å; Y453-L485 HydrophobicContact CE1-CD2 4.32Å |
| 454 | S | 57.6 | Low | 52.5 | Low | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.4 | -34.8 | 177.6 | 70.1 | 0 | 0 | 0 | 0 | 112.9 | Y450 E451 A458 | Y450-S454 VanDerWaalsContact O-CB 3.24Å; Y450-S454 WeakPolarHBondContact O-CB 3.26Å; Y450-S454 PolarHBondContact O-N 3.26Å; Y450-S454 PolarHBondContact O-OG 3.3Å; E451-S454 WeakPolarHBondContact CA-OG 3.3Å; E451-S454 CarbonylContact O-C 3.35Å; E451-S454 PolarHBondContact O-N 2.77Å; E451-S454 PolarHBondContact O-OG 2.97Å; S454-A458 WeakPolarHBondContact O-CB 3.38Å; S454-A458 PolarHBondContact O-N 3.44Å |
| 455 | S | 54.5 | Low | 53.8 | Low | 43 Ų | 43 | 55.1 Ų | 55.1 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.5 | -43.1 | 176.5 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | E451 L452 A458 D459 | E451-S455 PolarHBondContact O-N 2.73Å; E451-S455 PolarHBondContact O-OG 2.96Å; L452-S455 PolarHBondContact O-OG 2.72Å; L452-S455 VanDerWaalsContact O-OG 3.13Å; S455-A458 CarbonylContact O-C 3.44Å; S455-A458 PolarHBondContact O-N 2.7Å; S455-D459 WeakPolarHBondContact O-CB 3.4Å; S455-D459 PolarHBondContact O-N 3.41Å |
| 456 | V | 54.1 | Low | 55.1 | Low | 67 Ų | 67 | 52.9 Ų | 52.9 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | L452 D459 I460 | L452-V456 VanDerWaalsContact O-CB 3.29Å; L452-V456 WeakPolarHBondContact O-CB 3.49Å; L452-V456 WeakPolarHBondContact O-CG2 3.45Å; L452-V456 PolarHBondContact O-N 3.28Å; V456-D459 PolarHBondContact O-N 3.37Å; V456-I460 HydrophobicContact CG1-CD1 3.96Å; V456-I460 WeakPolarHBondContact O-CD1 3.43Å; V456-I460 VanDerWaalsContact O-CG1 3.24Å; V456-I460 WeakPolarHBondContact O-CG1 3.32Å; V456-I460 PolarHBondContact O-N 2.92Å |
| 457 | L | 61.4 | Low | 56.4 | Low | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 172.9 | -166.8 | 85.7 | 0 | 0 | 0 | 110.8 | Y453 I460 L461 V472 L474 V489 | Y453-L457 WeakPolarHBondContact O-CB 3.21Å; Y453-L457 PolarHBondContact O-N 2.83Å; L457-I460 PolarHBondContact O-N 3.09Å; L457-L461 HydrophobicContact CD2-CD1 4.18Å; L457-L461 HydrophobicContact CG-CD1 4.05Å; L457-L461 WeakPolarHBondContact O-CB 3.38Å; L457-L461 VanDerWaalsContact O-CG 3.22Å; L457-L461 WeakPolarHBondContact O-CG 3.25Å; L457-L461 PolarHBondContact O-N 3.21Å; L457-V472 HydrophobicContact CD1-CG1 4.17Å; L457-V472 HydrophobicContact CD2-CG1 4.5Å; L457-L474 HydrophobicContact CD2-CD2 4.32Å; L457-V489 HydrophobicContact CD2-CG1 4.03Å; L457-V489 HydrophobicContact CD2-CG2 3.72Å |
| 458 | A | 64.3 | Low | 57.8 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S454 S455 I460 L461 C462 A492 L493 L496 | S454-A458 WeakPolarHBondContact O-CB 3.38Å; S454-A458 PolarHBondContact O-N 3.44Å; S455-A458 CarbonylContact O-C 3.44Å; S455-A458 PolarHBondContact O-N 2.7Å; A458-I460 PolarHBondContact O-N 3.31Å; A458-L461 CarbonylContact O-C 3.49Å; A458-L461 PolarHBondContact O-N 2.89Å; A458-C462 VanDerWaalsContact O-CB 3.28Å; A458-C462 WeakPolarHBondContact O-CB 3.39Å; A458-C462 PolarHBondContact O-N 3.38Å; A458-C462 PolarHBondContact O-SG 2.76Å; A458-A492 HydrophobicContact CB-CB 3.7Å; A458-L493 HydrophobicContact CB-CD2 3.83Å; A458-L493 HydrophobicContact CB-CG 3.92Å; A458-L496 HydrophobicContact CB-CD1 3.65Å |
| 459 | D | 57.9 | Low | 59.1 | Low | 59 Ų | 59 | 45.5 Ų | 45.5 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 172.8 | -78.8 | -29.2 | 0 | 0 | 0 | 111.4 | S455 V456 C462 A463 | S455-D459 WeakPolarHBondContact O-CB 3.4Å; S455-D459 PolarHBondContact O-N 3.41Å; V456-D459 PolarHBondContact O-N 3.37Å; D459-C462 CarbonylContact O-C 3.3Å; D459-C462 WeakPolarHBondContact O-CB 3.48Å; D459-C462 PolarHBondContact O-N 3.1Å; D459-A463 PolarHBondContact O-N 3.24Å |
| 460 | I | 59.2 | Low | 60.2 | Low | 69 Ų | 69 | 47 Ų | 47 | 35% | 0.354 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.7 | -68.7 | 163.6 | 0 | 0 | 0 | 110.6 | V456 L457 A458 C462 A463 | V456-I460 HydrophobicContact CG1-CD1 3.96Å; V456-I460 WeakPolarHBondContact O-CD1 3.43Å; V456-I460 VanDerWaalsContact O-CG1 3.24Å; V456-I460 WeakPolarHBondContact O-CG1 3.32Å; V456-I460 PolarHBondContact O-N 2.92Å; L457-I460 PolarHBondContact O-N 3.09Å; A458-I460 PolarHBondContact O-N 3.31Å; I460-C462 PolarHBondContact O-N 2.82Å; I460-A463 WeakPolarHBondContact O-CB 3.48Å; I460-A463 PolarHBondContact O-N 3.01Å; I460-A463 VanDerWaalsContact O-N 3.09Å |
| 461 | L | 67.8 | Low | 61 | Low | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.4 | -16.2 | 177 | -68.1 | 172.5 | 0 | 0 | 0 | 113.3 | L457 A458 L466 I470 V472 L493 R740 I776 L778 | L457-L461 HydrophobicContact CD2-CD1 4.18Å; L457-L461 HydrophobicContact CG-CD1 4.05Å; L457-L461 WeakPolarHBondContact O-CB 3.38Å; L457-L461 VanDerWaalsContact O-CG 3.22Å; L457-L461 WeakPolarHBondContact O-CG 3.25Å; L457-L461 PolarHBondContact O-N 3.21Å; A458-L461 CarbonylContact O-C 3.49Å; A458-L461 PolarHBondContact O-N 2.89Å; L461-L466 HydrophobicContact CD2-CD2 4.33Å; L461-I470 HydrophobicContact CD2-CG2 4.34Å; L461-V472 HydrophobicContact CD2-CG2 4.36Å; L461-L493 HydrophobicContact CB-CD2 3.91Å; L461-L493 HydrophobicContact CD1-CD1 4.37Å; L461-R740 PolarHBondContact O-NH1 3.09Å; L461-I776 HydrophobicContact CD1-CG2 4.34Å; L461-I776 HydrophobicContact CD2-CD1 4.27Å; L461-I776 HydrophobicContact CD2-CG2 3.81Å; L461-L778 HydrophobicContact CD1-CD1 4.48Å; L461-L778 HydrophobicContact CD1-CD2 3.88Å |
| 462 | C | 67.9 | Low | 61.9 | Low | 23 Ų | 23 | 43.4 Ų | 43.4 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.7 | 170.1 | -77.9 | 0 | 0 | 0 | 0 | 114.2 | A458 D459 I460 I569 F571 | A458-C462 VanDerWaalsContact O-CB 3.28Å; A458-C462 WeakPolarHBondContact O-CB 3.39Å; A458-C462 PolarHBondContact O-N 3.38Å; A458-C462 PolarHBondContact O-SG 2.76Å; D459-C462 CarbonylContact O-C 3.3Å; D459-C462 WeakPolarHBondContact O-CB 3.48Å; D459-C462 PolarHBondContact O-N 3.1Å; I460-C462 PolarHBondContact O-N 2.82Å; C462-I569 WeakPolarHBondContact O-CD1 3.3Å; C462-F571 HydrophobicContact CB-CZ 4.47Å; C462-F571 WeakPolarHBondContact SG-CE2 3.48Å; C462-F571 WeakPolarHBondContact SG-CZ 3.46Å |
| 463 | A | 62.2 | Low | 62.6 | Low | 27 Ų | 27 | 39.6 Ų | 39.6 | 22% | 0.223 | 23% | 0.232 | C | C | . | . | trans | -62.6 | 124.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D459 I460 N465 L466 R740 | D459-A463 PolarHBondContact O-N 3.24Å; I460-A463 WeakPolarHBondContact O-CB 3.48Å; I460-A463 PolarHBondContact O-N 3.01Å; I460-A463 VanDerWaalsContact O-N 3.09Å; A463-N465 VanDerWaalsContact C-N 3.27Å; A463-N465 PolarHBondContact O-N 2.99Å; A463-L466 HydrophobicContact CB-CB 4.32Å; A463-L466 WeakPolarHBondContact O-CB 3.31Å; A463-L466 PolarHBondContact O-N 2.99Å; A463-L466 VanDerWaalsContact O-N 3.17Å; A463-R740 VanDerWaalsContact O-CZ 3.27Å; A463-R740 PolarHBondContact O-NH1 3.18Å; A463-R740 PolarHBondContact O-NH2 3.02Å | ||
| 464 | P | 63.1 | Low | 63.1 | Low | 20 Ų | 20 | 37 Ų | 37 | 13% | 0.13 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.6 | -170.6 | 25.5 | -36.1 | 0 | 0 | 0 | 113.4 | L466 I565 I569 Q738 R740 Y857 | P464-L466 VanDerWaalsContact C-N 3.35Å; P464-I565 HydrophobicContact CB-CG2 4.31Å; P464-I565 HydrophobicContact CG-CG2 4.24Å; P464-I569 HydrophobicContact CB-CD1 4.18Å; P464-Q738 PolarHBondContact O-NE2 3.27Å; P464-R740 VanDerWaalsContact CA-NH2 3.35Å; P464-R740 PolarHBondContact O-NH2 3.46Å; P464-Y857 HydrophobicContact CG-CE2 3.73Å |
| 465 | N | 63.5 | Low | 63.1 | Low | 64 Ų | 64 | 42.8 Ų | 42.8 | 34% | 0.342 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.1 | -179 | 64.4 | -77.2 | 0 | 0 | 0 | 114.3 | A463 S467 I860 | A463-N465 VanDerWaalsContact C-N 3.27Å; A463-N465 PolarHBondContact O-N 2.99Å; N465-S467 PolarHBondContact O-N 2.97Å; N465-I860 WeakPolarHBondContact ND2-CD1 3.45Å |
| 466 | L | 64.4 | Low | 63 | Low | 35 Ų | 35 | 41.7 Ų | 41.7 | 18% | 0.183 | 24% | 0.238 | C | C | . | . | trans | -66 | 123.7 | -177.8 | -170.2 | 69.6 | 0 | 0 | 0 | 110.8 | L461 A463 P464 L468 I470 | L461-L466 HydrophobicContact CD2-CD2 4.33Å; A463-L466 HydrophobicContact CB-CB 4.32Å; A463-L466 WeakPolarHBondContact O-CB 3.31Å; A463-L466 PolarHBondContact O-N 2.99Å; A463-L466 VanDerWaalsContact O-N 3.17Å; P464-L466 VanDerWaalsContact C-N 3.35Å; L466-L468 HydrophobicContact CD2-CD2 4.18Å; L466-L468 HydrophobicContact CG-CD2 4.41Å; L466-L468 PolarHBondContact O-N 2.85Å; L466-I470 HydrophobicContact CD1-CD1 3.52Å; L466-I470 HydrophobicContact CD2-CD1 3.69Å; L466-I470 HydrophobicContact CG-CD1 3.44Å; L466-I470 VanDerWaalsContact CG-CD1 3.44Å | ||
| 467 | S | 66.1 | Low | 62.6 | Low | 99 Ų | 99 | 46.6 Ų | 46.6 | 69% | 0.692 | 25% | 0.254 | S | S | * | . | trans | -72.9 | 118.2 | 177.2 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | N465 I470 | N465-S467 PolarHBondContact O-N 2.97Å; S467-I470 WeakPolarHBondContact O-CD1 3.3Å; S467-I470 VanDerWaalsContact O-CG1 3.31Å; S467-I470 WeakPolarHBondContact O-CG1 3.1Å | ||
| 468 | L | 67.4 | Low | 61.6 | Low | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -108.7 | 149.4 | 178.4 | -63.6 | 178.2 | 0 | 0 | 0 | 110.3 | L466 I470 R740 S773 I776 | L466-L468 HydrophobicContact CD2-CD2 4.18Å; L466-L468 HydrophobicContact CG-CD2 4.41Å; L466-L468 PolarHBondContact O-N 2.85Å; L468-I470 HydrophobicContact CD2-CB 4.05Å; L468-I470 HydrophobicContact CD2-CD1 4.06Å; L468-I470 HydrophobicContact CD2-CG1 4.06Å; L468-R740 HydrophobicContact CD1-CG 4.08Å; L468-S773 CarbonylContact C-O 3.52Å; L468-S773 WeakPolarHBondContact CB-O 3.31Å; L468-I776 HydrophobicContact CD1-CG1 4.45Å; L468-I776 HydrophobicContact CD2-CD1 4.28Å; L468-I776 HydrophobicContact CD2-CG1 3.61Å |
| 469 | P | 67.8 | Low | 60.6 | Low | 37 Ų | 37 | 59.8 Ų | 59.8 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | cis | -76.7 | 154.8 | 9.2 | 28.6 | -30.5 | 0 | 0 | 0 | 114.9 | F471 F767 S773 F775 | P469-F471 HydrophobicContact CB-CE2 4.34Å; P469-F767 WeakPolarHBondContact CB-O 3.5Å; P469-S773 WeakPolarHBondContact CB-OG 3.4Å; P469-S773 WeakPolarHBondContact CD-OG 3.31Å; P469-F775 VanDerWaalsContact CA-O 3.25Å; P469-F775 WeakPolarHBondContact CA-O 3.39Å; P469-F775 HydrophobicContact CB-CB 4.33Å | ||
| 470 | I | 66.9 | Low | 60 | Low | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.185 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.6 | 173.6 | -80.6 | 175.6 | 0 | 0 | 0 | 111.2 | L461 L466 S467 L468 V472 F775 V777 | L461-I470 HydrophobicContact CD2-CG2 4.34Å; L466-I470 HydrophobicContact CD1-CD1 3.52Å; L466-I470 HydrophobicContact CD2-CD1 3.69Å; L466-I470 HydrophobicContact CG-CD1 3.44Å; L466-I470 VanDerWaalsContact CG-CD1 3.44Å; S467-I470 WeakPolarHBondContact O-CD1 3.3Å; S467-I470 VanDerWaalsContact O-CG1 3.31Å; S467-I470 WeakPolarHBondContact O-CG1 3.1Å; L468-I470 HydrophobicContact CD2-CB 4.05Å; L468-I470 HydrophobicContact CD2-CD1 4.06Å; L468-I470 HydrophobicContact CD2-CG1 4.06Å; I470-V472 HydrophobicContact CG2-CG2 3.76Å; I470-F775 PolarHBondContact N-O 3.02Å; I470-V777 PolarHBondContact O-N 3.07Å |
| 471 | F | 67 | Low | 59.5 | Low | 84 Ų | 84 | 60.6 Ų | 60.6 | 37% | 0.368 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.1 | 173.9 | -69.8 | -105.7 | 0 | 0 | 0 | 108.8 | P469 V763 V777 I779 | P469-F471 HydrophobicContact CB-CE2 4.34Å; F471-V763 HydrophobicContact CE1-CG1 3.99Å; F471-V777 CarbonylContact C-O 3.59Å; F471-V777 WeakPolarHBondContact CA-O 3.4Å; F471-V777 HydrophobicContact CD1-CB 3.78Å; F471-V777 HydrophobicContact CD1-CG1 4.14Å; F471-V777 HydrophobicContact CD1-CG2 4.09Å; F471-V777 HydrophobicContact CE1-CB 3.95Å; F471-V777 HydrophobicContact CE1-CG1 4.2Å; F471-V777 HydrophobicContact CE1-CG2 3.77Å; F471-V777 HydrophobicContact CE2-CG2 4.46Å; F471-V777 HydrophobicContact CG-CB 4.28Å; F471-V777 HydrophobicContact CZ-CG2 3.95Å; F471-I779 HydrophobicContact CD1-CD1 4.35Å |
| 472 | V | 66.8 | Low | 58.7 | Low | 24 Ų | 24 | 60.9 Ų | 60.9 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 111.3 | 178.7 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | L457 L461 I470 L474 V777 L778 I779 | L457-V472 HydrophobicContact CD1-CG1 4.17Å; L457-V472 HydrophobicContact CD2-CG1 4.5Å; L461-V472 HydrophobicContact CD2-CG2 4.36Å; I470-V472 HydrophobicContact CG2-CG2 3.76Å; V472-L474 HydrophobicContact CG1-CD2 4.03Å; V472-L474 HydrophobicContact CG1-CG 4.31Å; V472-V777 PolarHBondContact N-O 3.11Å; V472-L778 HydrophobicContact CB-CD2 3.65Å; V472-L778 HydrophobicContact CG1-CD2 4.43Å; V472-L778 HydrophobicContact CG2-CD2 3.62Å; V472-I779 PolarHBondContact O-N 3.25Å |
| 473 | G | 63.4 | Low | 58.3 | Low | 30 Ų | 30 | 62 Ų | 62 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I779 | G473-I779 CarbonylContact C-O 3.56Å; G473-I779 WeakPolarHBondContact CA-O 3.42Å |
| 474 | L | 62.5 | Low | 58.4 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 103.9 | 178.4 | -64.9 | 172.9 | 0 | 0 | 0 | 109.8 | Y453 L457 V472 L485 L486 I779 S780 V781 | Y453-L474 HydrophobicContact CE1-CD2 4.13Å; L457-L474 HydrophobicContact CD2-CD2 4.32Å; V472-L474 HydrophobicContact CG1-CD2 4.03Å; V472-L474 HydrophobicContact CG1-CG 4.31Å; L474-L485 HydrophobicContact CD1-CD2 3.76Å; L474-L485 HydrophobicContact CD2-CD2 3.92Å; L474-L485 HydrophobicContact CG-CD2 4.39Å; L474-L486 HydrophobicContact CD1-CD2 3.63Å; L474-L486 HydrophobicContact CD1-CG 4.08Å; L474-I779 PolarHBondContact N-O 3.42Å; L474-S780 WeakPolarHBondContact O-CA 3.5Å; L474-V781 PolarHBondContact O-N 2.88Å |
| 475 | Y | 57.8 | Low | 58.5 | Low | 128 Ų | 128 | 64.4 Ų | 64.4 | 50% | 0.502 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.8 | -178.8 | -52.7 | -69.4 | 0 | 0 | 0 | 111 | V781 V786 | Y475-V781 HydrophobicContact CD1-CB 4.24Å; Y475-V781 HydrophobicContact CE1-CB 3.92Å; Y475-V781 HydrophobicContact CE1-CG2 4.36Å; Y475-V786 HydrophobicContact CE1-CG2 3.74Å |
| 476 | A | 51.1 | Low | 58.9 | Low | 20 Ų | 20 | 61.7 Ų | 61.7 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | trans | -128.5 | 127.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | W478 K482 | A476-W478 VanDerWaalsContact C-N 3.26Å; A476-W478 PolarHBondContact O-N 3.2Å; A476-K482 HydrophobicContact CB-CG 4.12Å | ||
| 477 | K | 46.2 | Very low | 59.3 | Low | 170 Ų | 170 | 67.2 Ų | 67.2 | 74% | 0.739 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -72.6 | -7.9 | -166.3 | -165.7 | 164.6 | -178.8 | 173.7 | 0 | 115.3 | ||
| 478 | W | 41.4 | Very low | 59.5 | Low | 217 Ų | 217 | 64.2 Ų | 64.2 | 82% | 0.822 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -145.1 | 108.1 | -176 | -61.4 | 101.9 | 0 | 0 | 0 | 114.1 | A476 S480 | A476-W478 VanDerWaalsContact C-N 3.26Å; A476-W478 PolarHBondContact O-N 3.2Å; W478-S480 VanDerWaalsContact C-N 3.31Å; W478-S480 PolarHBondContact O-N 3.49Å |
| 479 | G | 42.4 | Very low | 59.8 | Low | 72 Ų | 72 | 63 Ų | 63 | 74% | 0.742 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -19.8 | 132 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||
| 480 | S | 45 | Very low | 60.4 | Low | 108 Ų | 108 | 62.6 Ų | 62.6 | 76% | 0.755 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.4 | -33.7 | -172.7 | -176.8 | 0 | 0 | 0 | 0 | 114.8 | W478 K482 | W478-S480 VanDerWaalsContact C-N 3.31Å; W478-S480 PolarHBondContact O-N 3.49Å; S480-K482 VanDerWaalsContact C-N 3.29Å; S480-K482 PolarHBondContact O-N 3.03Å; S480-K482 VanDerWaalsContact O-N 3.16Å |
| 481 | G | 48.6 | Very low | 60.8 | Low | 37 Ų | 37 | 64.1 Ų | 64.1 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -74.6 | -3.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | F484 L485 | G481-F484 PolarHBondContact O-N 2.76Å; G481-L485 PolarHBondContact O-N 3.06Å |
| 482 | K | 51.4 | Low | 60.9 | Low | 11 Ų | 11 | 60.7 Ų | 60.7 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -53.9 | -170.6 | -68.6 | 172.3 | -174.8 | 167.5 | 0 | 112.5 | A476 S480 F484 L485 D749 D782 | A476-K482 HydrophobicContact CB-CG 4.12Å; S480-K482 VanDerWaalsContact C-N 3.29Å; S480-K482 PolarHBondContact O-N 3.03Å; S480-K482 VanDerWaalsContact O-N 3.16Å; K482-F484 VanDerWaalsContact C-N 3.26Å; K482-F484 PolarHBondContact O-N 3.44Å; K482-L485 PolarHBondContact O-N 2.73Å; K482-D749 WeakPolarHBondContact CD-OD2 3.41Å; K482-D749 IonicContact NZ-OD1 3.86Å; K482-D749 PolarHBondContact NZ-OD1 3.34Å; K482-D749 IonicContact NZ-OD2 2.7Å; K482-D749 PolarHBondContact NZ-OD2 3.32Å; K482-D782 IonicContact NZ-OD2 3.26Å; K482-D782 PolarHBondContact NZ-OD2 2.77Å |
| 483 | A | 59 | Low | 61.2 | Low | 45 Ų | 45 | 59.6 Ų | 59.6 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59 | -35.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R487 D746 | A483-R487 PolarHBondContact O-N 3.06Å; A483-D746 WeakPolarHBondContact CA-OD2 3.35Å; A483-D746 WeakPolarHBondContact CB-OD2 3.34Å |
| 484 | F | 64 | Low | 61.7 | Low | 77 Ų | 77 | 62.4 Ų | 62.4 | 34% | 0.338 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | -175.6 | -177.6 | -101.6 | 0 | 0 | 0 | 112.6 | G481 K482 R487 K488 | G481-F484 PolarHBondContact O-N 2.76Å; K482-F484 VanDerWaalsContact C-N 3.26Å; K482-F484 PolarHBondContact O-N 3.44Å; F484-R487 WeakPolarHBondContact O-CB 3.26Å; F484-R487 PolarHBondContact O-N 2.92Å; F484-K488 HydrophobicContact CE1-CD 3.96Å; F484-K488 HydrophobicContact CZ-CD 4.19Å; F484-K488 VanDerWaalsContact CZ-CE 3.41Å; F484-K488 PolarHBondContact O-N 2.76Å |
| 485 | L | 65 | Low | 61.8 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.7 | -39.3 | 178.6 | -162.5 | 146.9 | 0 | 0 | 0 | 111.9 | Y450 Y453 L474 G481 K482 R487 K488 V489 | Y450-L485 HydrophobicContact CD1-CD1 3.4Å; Y450-L485 HydrophobicContact CE1-CD1 3.81Å; Y450-L485 HydrophobicContact CG-CD1 4.2Å; Y453-L485 HydrophobicContact CD1-CD1 4.06Å; Y453-L485 HydrophobicContact CD1-CD2 4.31Å; Y453-L485 HydrophobicContact CE1-CD1 4.46Å; Y453-L485 HydrophobicContact CE1-CD2 4.32Å; L474-L485 HydrophobicContact CD1-CD2 3.76Å; L474-L485 HydrophobicContact CD2-CD2 3.92Å; L474-L485 HydrophobicContact CG-CD2 4.39Å; G481-L485 PolarHBondContact O-N 3.06Å; K482-L485 PolarHBondContact O-N 2.73Å; L485-R487 PolarHBondContact O-N 3.12Å; L485-K488 PolarHBondContact O-N 2.68Å; L485-V489 HydrophobicContact CD2-CG2 3.79Å; L485-V489 WeakPolarHBondContact O-CB 3.23Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.95Å |
| 486 | L | 72.5 | Confident | 62 | Low | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.8 | -39.3 | 170.5 | -76.6 | 170 | 0 | 0 | 0 | 111.5 | L474 K490 L744 D746 L778 | L474-L486 HydrophobicContact CD1-CD2 3.63Å; L474-L486 HydrophobicContact CD1-CG 4.08Å; L486-K490 PolarHBondContact O-N 2.78Å; L486-L744 HydrophobicContact CB-CD2 4.35Å; L486-L744 HydrophobicContact CD2-CD2 3.85Å; L486-D746 HydrophobicContact CD1-CB 3.77Å; L486-L778 HydrophobicContact CD2-CB 3.72Å |
| 487 | R | 72.9 | Confident | 62.6 | Low | 152 Ų | 152 | 66.1 Ų | 66.1 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.4 | -52 | 173.7 | -179.6 | 177.7 | 173.6 | 171.6 | -0.8 | 112.5 | A483 F484 L485 V489 K490 E491 | A483-R487 PolarHBondContact O-N 3.06Å; F484-R487 WeakPolarHBondContact O-CB 3.26Å; F484-R487 PolarHBondContact O-N 2.92Å; L485-R487 PolarHBondContact O-N 3.12Å; R487-V489 VanDerWaalsContact C-N 3.27Å; R487-V489 PolarHBondContact O-N 3.44Å; R487-K490 WeakPolarHBondContact O-CB 3.35Å; R487-K490 PolarHBondContact O-N 3.43Å; R487-K490 VanDerWaalsContact O-N 3.07Å; R487-E491 IonicContact CZ-OE1 3.37Å; R487-E491 VanDerWaalsContact CZ-OE1 3.29Å; R487-E491 IonicContact NE-OE1 3.16Å; R487-E491 PolarHBondContact NE-OE1 3.18Å; R487-E491 IonicContact NE-OE2 2.75Å; R487-E491 IonicContact NH2-OE1 3.44Å; R487-E491 PolarHBondContact NH2-OE1 3.44Å; R487-E491 WeakPolarHBondContact O-CG 3.49Å; R487-E491 PolarHBondContact O-N 3.27Å |
| 488 | K | 71.4 | Confident | 62.8 | Low | 35 Ų | 35 | 65.4 Ų | 65.4 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -33.4 | 178.7 | -74.5 | -161.9 | 171.3 | -175.6 | 0 | 112.5 | E451 F484 L485 E491 A492 | E451-K488 HydrophobicContact CG-CD 3.95Å; E451-K488 IonicContact OE1-NZ 3.54Å; E451-K488 PolarHBondContact OE1-NZ 3.32Å; F484-K488 HydrophobicContact CE1-CD 3.96Å; F484-K488 HydrophobicContact CZ-CD 4.19Å; F484-K488 VanDerWaalsContact CZ-CE 3.41Å; F484-K488 PolarHBondContact O-N 2.76Å; L485-K488 PolarHBondContact O-N 2.68Å; K488-E491 PolarHBondContact O-N 3.33Å; K488-A492 VanDerWaalsContact O-CB 3.3Å; K488-A492 WeakPolarHBondContact O-CB 3.45Å; K488-A492 PolarHBondContact O-N 3.02Å |
| 489 | V | 73.5 | Confident | 63.2 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 171.7 | 172.2 | 0 | 0 | 0 | 0 | 112 | L457 L485 R487 A492 L493 L778 | L457-V489 HydrophobicContact CD2-CG1 4.03Å; L457-V489 HydrophobicContact CD2-CG2 3.72Å; L485-V489 HydrophobicContact CD2-CG2 3.79Å; L485-V489 WeakPolarHBondContact O-CB 3.23Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.95Å; R487-V489 VanDerWaalsContact C-N 3.27Å; R487-V489 PolarHBondContact O-N 3.44Å; V489-A492 PolarHBondContact O-N 2.96Å; V489-L493 HydrophobicContact CG1-CD1 3.8Å; V489-L493 HydrophobicContact CG1-CG 4.3Å; V489-L493 WeakPolarHBondContact O-CB 3.46Å; V489-L493 VanDerWaalsContact O-CG 3.27Å; V489-L493 WeakPolarHBondContact O-CG 3.46Å; V489-L493 PolarHBondContact O-N 3.13Å; V489-L778 HydrophobicContact CG1-CD1 3.69Å |
| 490 | K | 79.2 | Confident | 63.4 | Low | 27 Ų | 27 | 61.8 Ų | 61.8 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 172 | -177.5 | 175 | -170.8 | 175.1 | 0 | 110.9 | L486 R487 L493 Q494 F573 D575 L744 | L486-K490 PolarHBondContact O-N 2.78Å; R487-K490 WeakPolarHBondContact O-CB 3.35Å; R487-K490 PolarHBondContact O-N 3.43Å; R487-K490 VanDerWaalsContact O-N 3.07Å; K490-L493 PolarHBondContact O-N 3.5Å; K490-Q494 WeakPolarHBondContact O-CB 3.13Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.44Å; K490-Q494 PolarHBondContact O-N 2.88Å; K490-F573 HydrophobicContact CB-CE1 4.26Å; K490-F573 HydrophobicContact CD-CD1 4.19Å; K490-F573 HydrophobicContact CD-CG 4.34Å; K490-F573 HydrophobicContact CG-CD1 3.8Å; K490-F573 HydrophobicContact CG-CE1 3.74Å; K490-F573 HydrophobicContact CG-CG 4.24Å; K490-F573 HydrophobicContact CG-CZ 4.13Å; K490-D575 IonicContact NZ-OD1 2.93Å; K490-D575 PolarHBondContact NZ-OD1 3.1Å; K490-D575 IonicContact NZ-OD2 3.4Å; K490-L744 HydrophobicContact CB-CD1 4.12Å; K490-L744 HydrophobicContact CD-CD1 3.75Å; K490-L744 HydrophobicContact CG-CD1 4.18Å |
| 491 | E | 75 | Confident | 63.4 | Low | 68 Ų | 68 | 59.8 Ų | 59.8 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | -179.5 | -70.2 | 165.5 | 166.6 | 0 | 0 | 111.6 | R487 K488 Q494 L495 | R487-E491 IonicContact CZ-OE1 3.37Å; R487-E491 VanDerWaalsContact CZ-OE1 3.29Å; R487-E491 IonicContact NE-OE1 3.16Å; R487-E491 PolarHBondContact NE-OE1 3.18Å; R487-E491 IonicContact NE-OE2 2.75Å; R487-E491 IonicContact NH2-OE1 3.44Å; R487-E491 PolarHBondContact NH2-OE1 3.44Å; R487-E491 WeakPolarHBondContact O-CG 3.49Å; R487-E491 PolarHBondContact O-N 3.27Å; K488-E491 PolarHBondContact O-N 3.33Å; E491-Q494 PolarHBondContact O-N 2.98Å; E491-L495 WeakPolarHBondContact O-CG 3.38Å; E491-L495 PolarHBondContact O-N 3.03Å |
| 492 | A | 70 | Confident | 63.2 | Low | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A458 K488 V489 Q494 L495 L496 | A458-A492 HydrophobicContact CB-CB 3.7Å; K488-A492 VanDerWaalsContact O-CB 3.3Å; K488-A492 WeakPolarHBondContact O-CB 3.45Å; K488-A492 PolarHBondContact O-N 3.02Å; V489-A492 PolarHBondContact O-N 2.96Å; A492-Q494 VanDerWaalsContact C-N 3.31Å; A492-Q494 PolarHBondContact O-N 2.83Å; A492-L495 PolarHBondContact O-N 3.32Å; A492-L496 WeakPolarHBondContact O-CG 3.26Å; A492-L496 PolarHBondContact O-N 3.35Å |
| 493 | L | 73.3 | Confident | 62.8 | Low | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 174.7 | -73.7 | 169.5 | 0 | 0 | 0 | 112.1 | A458 L461 V489 K490 S497 F571 F573 V742 L778 | A458-L493 HydrophobicContact CB-CD2 3.83Å; A458-L493 HydrophobicContact CB-CG 3.92Å; L461-L493 HydrophobicContact CB-CD2 3.91Å; L461-L493 HydrophobicContact CD1-CD1 4.37Å; V489-L493 HydrophobicContact CG1-CD1 3.8Å; V489-L493 HydrophobicContact CG1-CG 4.3Å; V489-L493 WeakPolarHBondContact O-CB 3.46Å; V489-L493 VanDerWaalsContact O-CG 3.27Å; V489-L493 WeakPolarHBondContact O-CG 3.46Å; V489-L493 PolarHBondContact O-N 3.13Å; K490-L493 PolarHBondContact O-N 3.5Å; L493-S497 WeakPolarHBondContact O-CB 3.4Å; L493-S497 PolarHBondContact O-N 3.27Å; L493-F571 HydrophobicContact CB-CD2 4.26Å; L493-F571 HydrophobicContact CB-CG 4.45Å; L493-F571 HydrophobicContact CD2-CD1 4.37Å; L493-F571 HydrophobicContact CD2-CD2 4.39Å; L493-F571 HydrophobicContact CD2-CE1 3.9Å; L493-F571 HydrophobicContact CD2-CE2 3.94Å; L493-F571 HydrophobicContact CD2-CZ 3.67Å; L493-F571 WeakPolarHBondContact O-CD2 2.94Å; L493-F573 HydrophobicContact CB-CE1 4.22Å; L493-F573 HydrophobicContact CB-CZ 3.8Å; L493-F573 HydrophobicContact CD1-CE1 4.13Å; L493-F573 HydrophobicContact CD1-CZ 4.49Å; L493-V742 HydrophobicContact CD1-CG1 4.42Å; L493-V742 HydrophobicContact CD1-CG2 4.48Å; L493-L778 HydrophobicContact CD1-CD1 4.41Å |
| 494 | Q | 72.9 | Confident | 61.9 | Low | 89 Ų | 89 | 67.1 Ų | 67.1 | 42% | 0.416 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 173.8 | -75.5 | 179.1 | -29.9 | 0 | 0 | 112 | K490 E491 A492 S497 F573 | K490-Q494 WeakPolarHBondContact O-CB 3.13Å; K490-Q494 VanDerWaalsContact O-CG 3.28Å; K490-Q494 WeakPolarHBondContact O-CG 3.44Å; K490-Q494 PolarHBondContact O-N 2.88Å; E491-Q494 PolarHBondContact O-N 2.98Å; A492-Q494 VanDerWaalsContact C-N 3.31Å; A492-Q494 PolarHBondContact O-N 2.83Å; Q494-S497 WeakPolarHBondContact O-CB 3.47Å; Q494-S497 PolarHBondContact O-N 3.13Å; Q494-S497 PolarHBondContact O-OG 3.45Å; Q494-F573 HydrophobicContact CG-CD2 4.36Å; Q494-F573 HydrophobicContact CG-CE2 3.48Å; Q494-F573 VanDerWaalsContact CG-CE2 3.48Å; Q494-F573 HydrophobicContact CG-CZ 3.81Å |
| 495 | L | 65.2 | Low | 60.7 | Low | 141 Ų | 141 | 74.2 Ų | 74.2 | 74% | 0.738 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 174.8 | -81.9 | 162.3 | 0 | 0 | 0 | 113 | E491 A492 S497 | E491-L495 WeakPolarHBondContact O-CG 3.38Å; E491-L495 PolarHBondContact O-N 3.03Å; A492-L495 PolarHBondContact O-N 3.32Å; L495-S497 VanDerWaalsContact C-N 3.32Å |
| 496 | L | 62.1 | Low | 59.6 | Low | 74 Ų | 74 | 81.2 Ų | 81.2 | 39% | 0.387 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75 | -19.9 | 176.6 | -70 | 168.1 | 0 | 0 | 0 | 113.1 | A458 A492 R498 | A458-L496 HydrophobicContact CB-CD1 3.65Å; A492-L496 WeakPolarHBondContact O-CG 3.26Å; A492-L496 PolarHBondContact O-N 3.35Å; L496-R498 PolarHBondContact O-N 2.83Å |
| 497 | S | 62.6 | Low | 58 | Low | 24 Ų | 24 | 88 Ų | 88 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -66.3 | 130.4 | 177.1 | 80.7 | 0 | 0 | 0 | 0 | 111.5 | L493 Q494 L495 S499 | L493-S497 WeakPolarHBondContact O-CB 3.4Å; L493-S497 PolarHBondContact O-N 3.27Å; Q494-S497 WeakPolarHBondContact O-CB 3.47Å; Q494-S497 PolarHBondContact O-N 3.13Å; Q494-S497 PolarHBondContact O-OG 3.45Å; L495-S497 VanDerWaalsContact C-N 3.32Å; S497-S499 VanDerWaalsContact C-N 3.25Å; S497-S499 PolarHBondContact O-N 3.39Å |
| 498 | R | 51.4 | Low | 56.7 | Low | 155 Ų | 155 | 89.5 Ų | 89.5 | 59% | 0.585 | 42% | 0.424 | S | S | * | . | trans | -79.1 | 78.9 | 172.9 | -66.9 | -174.9 | -179 | -179.9 | 1.6 | 108.7 | L496 W500 P568 I569 | L496-R498 PolarHBondContact O-N 2.83Å; R498-W500 VanDerWaalsContact C-N 3.31Å; R498-W500 PolarHBondContact O-N 2.96Å; R498-P568 HydrophobicContact CB-CB 4.2Å; R498-I569 PolarHBondContact N-O 2.99Å | ||
| 499 | S | 48.8 | Very low | 55.8 | Low | 62 Ų | 62 | 90.9 Ų | 90.9 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | trans | -71.2 | 74.9 | -175.3 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | S497 F501 | S497-S499 VanDerWaalsContact C-N 3.25Å; S497-S499 PolarHBondContact O-N 3.39Å; S499-F501 PolarHBondContact O-N 3.37Å | ||
| 500 | W | 46.8 | Very low | 54.8 | Low | 152 Ų | 152 | 100.7 Ų | 100.7 | 58% | 0.576 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -68.8 | -5.8 | 175.8 | -71.4 | 98.4 | 0 | 0 | 0 | 114.7 | R498 H540 | R498-W500 VanDerWaalsContact C-N 3.31Å; R498-W500 PolarHBondContact O-N 2.96Å; W500-H540 PolarHBondContact O-CE1 3.49Å; W500-H540 VanDerWaalsContact O-CE1 3.24Å |
| 501 | F | 46.2 | Very low | 53.6 | Low | 65 Ų | 65 | 103.5 Ų | 103.5 | 29% | 0.285 | 50% | 0.498 | S | S | . | . | trans | -139.5 | 100.2 | 174.5 | -68 | -90 | 0 | 0 | 0 | 110.1 | S499 P503 H540 A543 | S499-F501 PolarHBondContact O-N 3.37Å; F501-P503 WeakPolarHBondContact O-CD 3.4Å; F501-H540 AromaticContact CD1-ND1 3.79Å; F501-A543 HydrophobicContact CE1-CB 3.82Å; F501-A543 HydrophobicContact CZ-CB 3.74Å | ||
| 502 | T | 43.8 | Very low | 52.8 | Low | 78 Ų | 78 | 102.9 Ų | 102.9 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | trans | -87.3 | 114.5 | 163.7 | 40.9 | 0 | 0 | 0 | 0 | 108.6 | T504 | T502-T504 PolarHBondContact O-N 3.24Š| ||
| 503 | P | 42.9 | Very low | 52.2 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 47% | 0.474 | 51% | 0.505 | S | S | . | . | trans | -78.4 | 88.3 | -170.8 | 30.1 | -35 | 0 | 0 | 0 | 112.1 | F501 R505 | F501-P503 WeakPolarHBondContact O-CD 3.4Å; P503-R505 PolarHBondContact O-N 2.91Å; P503-R505 VanDerWaalsContact O-N 3.16Å | ||
| 504 | T | 41.1 | Very low | 51.6 | Low | 97 Ų | 97 | 109.4 Ų | 109.4 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | trans | -65.9 | 110.4 | 171.4 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | T502 F506 | T502-T504 PolarHBondContact O-N 3.24Å; T504-F506 PolarHBondContact O-N 3.25Å; T504-F506 VanDerWaalsContact O-N 3.11Å | ||
| 505 | R | 38.2 | Very low | 51.3 | Low | 225 Ų | 225 | 106.8 Ų | 106.8 | 85% | 0.849 | 53% | 0.533 | S | S | * | . | trans | -76.6 | 90.4 | -178.2 | -66.4 | -178.9 | 178.5 | 178.9 | 1.3 | 112 | P503 | P503-R505 PolarHBondContact O-N 2.91Å; P503-R505 VanDerWaalsContact O-N 3.16Å | ||
| 506 | F | 40.9 | Very low | 51.1 | Low | 168 Ų | 168 | 103.8 Ų | 103.8 | 74% | 0.737 | 52% | 0.517 | S | S | * | . | trans | -134.7 | 137.9 | 170 | -89.9 | -77 | 0 | 0 | 0 | 113.9 | T504 W508 | T504-F506 PolarHBondContact O-N 3.25Å; T504-F506 VanDerWaalsContact O-N 3.11Å; F506-W508 AromaticContact CD1-NE1 3.8Å | ||
| 507 | N | 39.4 | Very low | 50.9 | Low | 149 Ų | 149 | 104 Ų | 104 | 80% | 0.797 | 52% | 0.518 | S | S | * | . | trans | -106.6 | 113.7 | 172.5 | -67.4 | -35.5 | 0 | 0 | 0 | 108.7 | ||||
| 508 | W | 46.4 | Very low | 50.9 | Low | 184 Ų | 184 | 108 Ų | 108 | 70% | 0.697 | 54% | 0.537 | S | S | * | . | trans | -139.8 | 155.6 | 170.1 | -77.5 | 90.1 | 0 | 0 | 0 | 110.3 | F506 V512 | F506-W508 AromaticContact CD1-NE1 3.8Å; W508-V512 HydrophobicContact CE3-CB 4.31Å; W508-V512 HydrophobicContact CE3-CG1 4.09Å; W508-V512 HydrophobicContact CE3-CG2 4.09Å; W508-V512 HydrophobicContact CZ3-CG1 4.45Å; W508-V512 HydrophobicContact CZ3-CG2 4.44Å | ||
| 509 | S | 52.5 | Low | 51.3 | Low | 64 Ų | 64 | 104 Ų | 104 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | trans | -76.8 | 147.3 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | S511 V512 | S509-S511 PolarHBondContact O-N 3.49Å; S509-S511 VanDerWaalsContact O-N 3.1Å; S509-S511 PolarHBondContact OG-OG 3.47Å; S509-V512 PolarHBondContact O-N 2.97Å | ||
| 510 | W | 53.1 | Low | 51.7 | Low | 207 Ų | 207 | 103.9 Ų | 103.9 | 78% | 0.784 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -55.1 | -30 | 178.5 | -83.1 | 80.9 | 0 | 0 | 0 | 113.5 | V512 A513 L514 | W510-V512 VanDerWaalsContact C-N 3.32Å; W510-V512 PolarHBondContact O-N 3.35Å; W510-A513 PolarHBondContact O-N 2.87Å; W510-L514 PolarHBondContact O-N 2.78Å |
| 511 | S | 53.5 | Low | 52.3 | Low | 85 Ų | 85 | 103.6 Ų | 103.6 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.9 | -40.2 | 176 | 49 | 0 | 0 | 0 | 0 | 113.3 | S509 L514 G515 | S509-S511 PolarHBondContact O-N 3.49Å; S509-S511 VanDerWaalsContact O-N 3.1Å; S509-S511 PolarHBondContact OG-OG 3.47Å; S511-L514 PolarHBondContact O-N 3.12Å; S511-G515 PolarHBondContact O-N 3.5Å |
| 512 | V | 58.2 | Low | 52.9 | Low | 55 Ų | 55 | 106.7 Ų | 106.7 | 33% | 0.333 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72.3 | -40.6 | -179.7 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | W508 S509 W510 L514 G515 I516 | W508-V512 HydrophobicContact CE3-CB 4.31Å; W508-V512 HydrophobicContact CE3-CG1 4.09Å; W508-V512 HydrophobicContact CE3-CG2 4.09Å; W508-V512 HydrophobicContact CZ3-CG1 4.45Å; W508-V512 HydrophobicContact CZ3-CG2 4.44Å; S509-V512 PolarHBondContact O-N 2.97Å; W510-V512 VanDerWaalsContact C-N 3.32Å; W510-V512 PolarHBondContact O-N 3.35Å; V512-L514 VanDerWaalsContact C-N 3.29Å; V512-L514 PolarHBondContact O-N 2.86Å; V512-G515 PolarHBondContact O-N 3.48Å; V512-I516 HydrophobicContact CG1-CD1 3.85Å; V512-I516 HydrophobicContact CG1-CG1 4.46Å; V512-I516 VanDerWaalsContact O-CG1 3.3Å; V512-I516 WeakPolarHBondContact O-CG1 2.99Å; V512-I516 PolarHBondContact O-N 3.27Å |
| 513 | A | 57.6 | Low | 53.6 | Low | 29 Ų | 29 | 110.9 Ų | 110.9 | 24% | 0.24 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -63.4 | -34.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W510 N517 | W510-A513 PolarHBondContact O-N 2.87Å; A513-N517 PolarHBondContact O-N 3.1Å; A513-N517 PolarHBondContact O-ND2 3.4Å |
| 514 | L | 60.4 | Low | 53.8 | Low | 121 Ų | 121 | 110.1 Ų | 110.1 | 63% | 0.634 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.3 | -44.4 | 176.3 | -135.4 | 167.6 | 0 | 0 | 0 | 111.3 | W510 S511 V512 I516 N517 L518 | W510-L514 PolarHBondContact O-N 2.78Å; S511-L514 PolarHBondContact O-N 3.12Å; V512-L514 VanDerWaalsContact C-N 3.29Å; V512-L514 PolarHBondContact O-N 2.86Å; L514-I516 PolarHBondContact O-N 2.54Å; L514-N517 PolarHBondContact O-N 3.37Å; L514-L518 PolarHBondContact O-N 3.06Å |
| 515 | G | 66.2 | Low | 54.3 | Low | 34 Ų | 34 | 111.3 Ų | 111.3 | 35% | 0.351 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.7 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | S511 V512 N517 L518 C519 | S511-G515 PolarHBondContact O-N 3.5Å; V512-G515 PolarHBondContact O-N 3.48Å; G515-N517 PolarHBondContact O-N 2.95Å; G515-L518 PolarHBondContact O-N 3.44Å; G515-C519 PolarHBondContact O-N 3.47Å; G515-C519 PolarHBondContact O-SG 3.11Å |
| 516 | I | 62 | Low | 54.9 | Low | 79 Ų | 79 | 103.9 Ų | 103.9 | 41% | 0.405 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.3 | -42 | 176.4 | -69 | 167.9 | 0 | 0 | 0 | 111.4 | V512 L514 L518 C519 V520 L534 | V512-I516 HydrophobicContact CG1-CD1 3.85Å; V512-I516 HydrophobicContact CG1-CG1 4.46Å; V512-I516 VanDerWaalsContact O-CG1 3.3Å; V512-I516 WeakPolarHBondContact O-CG1 2.99Å; V512-I516 PolarHBondContact O-N 3.27Å; L514-I516 PolarHBondContact O-N 2.54Å; I516-L518 VanDerWaalsContact C-N 3.32Å; I516-L518 PolarHBondContact O-N 3.01Å; I516-C519 PolarHBondContact O-N 3.14Å; I516-V520 HydrophobicContact CG2-CG2 4.23Å; I516-V520 WeakPolarHBondContact O-CB 3.13Å; I516-V520 VanDerWaalsContact O-CG2 3.23Å; I516-V520 WeakPolarHBondContact O-CG2 3.4Å; I516-V520 PolarHBondContact O-N 3.4Å; I516-L534 HydrophobicContact CG2-CD1 4.05Å |
| 517 | N | 56.9 | Low | 55.2 | Low | 78 Ų | 78 | 106 Ų | 106 | 42% | 0.417 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.2 | -41.9 | 174.6 | -87.2 | -80.7 | 0 | 0 | 0 | 111.9 | A513 L514 G515 V520 L521 | A513-N517 PolarHBondContact O-N 3.1Å; A513-N517 PolarHBondContact O-ND2 3.4Å; L514-N517 PolarHBondContact O-N 3.37Å; G515-N517 PolarHBondContact O-N 2.95Å; N517-V520 PolarHBondContact O-N 2.75Å; N517-L521 WeakPolarHBondContact O-CG 3.42Å; N517-L521 PolarHBondContact O-N 3.44Å |
| 518 | L | 62.2 | Low | 55.7 | Low | 109 Ų | 109 | 103.8 Ų | 103.8 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.9 | -43.1 | 177.7 | -155.8 | 78 | 0 | 0 | 0 | 111.7 | L514 G515 I516 L521 L522 | L514-L518 PolarHBondContact O-N 3.06Å; G515-L518 PolarHBondContact O-N 3.44Å; I516-L518 VanDerWaalsContact C-N 3.32Å; I516-L518 PolarHBondContact O-N 3.01Å; L518-L521 PolarHBondContact O-N 3.12Å; L518-L522 WeakPolarHBondContact O-CG 3.45Å; L518-L522 PolarHBondContact O-N 3.32Å |
| 519 | C | 59.5 | Low | 56.1 | Low | 70 Ų | 70 | 100.4 Ų | 100.4 | 47% | 0.473 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.4 | -38.3 | 174.7 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | G515 I516 L522 F523 | G515-C519 PolarHBondContact O-N 3.47Å; G515-C519 PolarHBondContact O-SG 3.11Å; I516-C519 PolarHBondContact O-N 3.14Å; C519-L522 PolarHBondContact O-N 2.96Å; C519-F523 WeakPolarHBondContact O-CB 3.15Å; C519-F523 WeakPolarHBondContact O-CD2 3.02Å; C519-F523 PolarHBondContact O-N 3.33Å |
| 520 | V | 57.6 | Low | 56.3 | Low | 59 Ų | 59 | 107.4 Ų | 107.4 | 36% | 0.358 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.2 | -34.2 | -179.4 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | I516 N517 L522 G524 L534 | I516-V520 HydrophobicContact CG2-CG2 4.23Å; I516-V520 WeakPolarHBondContact O-CB 3.13Å; I516-V520 VanDerWaalsContact O-CG2 3.23Å; I516-V520 WeakPolarHBondContact O-CG2 3.4Å; I516-V520 PolarHBondContact O-N 3.4Å; N517-V520 PolarHBondContact O-N 2.75Å; V520-L522 VanDerWaalsContact C-N 3.3Å; V520-L522 PolarHBondContact O-N 3.22Å; V520-G524 WeakPolarHBondContact O-CA 3.46Å; V520-G524 PolarHBondContact O-N 2.97Å; V520-G524 VanDerWaalsContact O-N 3.13Å; V520-L534 HydrophobicContact CG1-CD2 4.22Å; V520-L534 HydrophobicContact CG2-CD2 3.68Å |
| 521 | L | 60.6 | Low | 56.4 | Low | 147 Ų | 147 | 100.8 Ų | 100.8 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.7 | -32.7 | 169.8 | -72.9 | 168.7 | 0 | 0 | 0 | 112.7 | N517 L518 | N517-L521 WeakPolarHBondContact O-CG 3.42Å; N517-L521 PolarHBondContact O-N 3.44Å; L518-L521 PolarHBondContact O-N 3.12Å |
| 522 | L | 57.3 | Low | 56.3 | Low | 130 Ų | 130 | 101.3 Ų | 101.3 | 68% | 0.681 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -85.7 | -24 | -178.8 | -68.5 | 170 | 0 | 0 | 0 | 114.3 | L518 C519 V520 | L518-L522 WeakPolarHBondContact O-CG 3.45Å; L518-L522 PolarHBondContact O-N 3.32Å; C519-L522 PolarHBondContact O-N 2.96Å; V520-L522 VanDerWaalsContact C-N 3.3Å; V520-L522 PolarHBondContact O-N 3.22Å |
| 523 | F | 58.4 | Low | 56.2 | Low | 165 Ų | 165 | 103.1 Ų | 103.1 | 72% | 0.724 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -120.8 | 12.6 | -174 | -70.2 | -78.7 | 0 | 0 | 0 | 114.7 | C519 S525 | C519-F523 WeakPolarHBondContact O-CB 3.15Å; C519-F523 WeakPolarHBondContact O-CD2 3.02Å; C519-F523 PolarHBondContact O-N 3.33Å; F523-S525 PolarHBondContact O-N 3.43Å |
| 524 | G | 48.9 | Very low | 56.3 | Low | 58 Ų | 58 | 103.8 Ų | 103.8 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 17.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | V520 | V520-G524 WeakPolarHBondContact O-CA 3.46Å; V520-G524 PolarHBondContact O-N 2.97Å; V520-G524 VanDerWaalsContact O-N 3.13Å |
| 525 | S | 51.1 | Low | 56.1 | Low | 121 Ų | 121 | 101.7 Ų | 101.7 | 85% | 0.846 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -13.2 | -173.4 | -168.4 | 0 | 0 | 0 | 0 | 114.9 | F523 | F523-S525 PolarHBondContact O-N 3.43Š|
| 526 | S | 50.2 | Low | 55.7 | Low | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | trans | -97.2 | 122.2 | -169.3 | -172.2 | 0 | 0 | 0 | 0 | 114.2 | N528 I531 | S526-N528 VanDerWaalsContact C-N 3.3Å; S526-N528 PolarHBondContact O-N 3.23Å; S526-N528 PolarHBondContact OG-ND2 3.06Å; S526-N528 VanDerWaalsContact OG-ND2 3.15Å; S526-I531 WeakPolarHBondContact O-CD1 3.26Å | ||
| 527 | K | 47.4 | Very low | 55.6 | Low | 214 Ų | 214 | 104.2 Ų | 104.2 | 93% | 0.93 | 55% | 0.547 | S | S | * | . | trans | -72.2 | 66.8 | -179 | -64 | -178.6 | 179.9 | 177.9 | 0 | 113.9 | ||||
| 528 | N | 49.9 | Very low | 55.9 | Low | 101 Ų | 101 | 103.1 Ų | 103.1 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | trans | -109.3 | 141.8 | -178.6 | -95.9 | -62.3 | 0 | 0 | 0 | 114 | S526 R530 I531 | S526-N528 VanDerWaalsContact C-N 3.3Å; S526-N528 PolarHBondContact O-N 3.23Å; S526-N528 PolarHBondContact OG-ND2 3.06Å; S526-N528 VanDerWaalsContact OG-ND2 3.15Å; N528-R530 PolarHBondContact O-N 3.27Å; N528-R530 VanDerWaalsContact O-N 3.13Å; N528-I531 WeakPolarHBondContact O-CB 3.15Å; N528-I531 PolarHBondContact O-N 2.91Å | ||
| 529 | T | 54.6 | Low | 55.9 | Low | 114 Ų | 114 | 101.3 Ų | 101.3 | 70% | 0.699 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -33.7 | -176.3 | 49.1 | 0 | 0 | 0 | 0 | 114 | I531 R532 | T529-I531 PolarHBondContact O-N 3.05Å; T529-I531 VanDerWaalsContact O-N 3.08Å; T529-R532 VanDerWaalsContact O-CB 3.3Å; T529-R532 WeakPolarHBondContact O-CB 3.47Å; T529-R532 PolarHBondContact O-N 3.5Å |
| 530 | R | 55.8 | Low | 56.1 | Low | 211 Ų | 211 | 99.8 Ų | 99.8 | 80% | 0.796 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -55 | -25.7 | 176.1 | -64.9 | -179.1 | 178.8 | 173.1 | -0.1 | 113.7 | N528 R532 L534 | N528-R530 PolarHBondContact O-N 3.27Å; N528-R530 VanDerWaalsContact O-N 3.13Å; R530-R532 VanDerWaalsContact C-N 3.32Å; R530-L534 WeakPolarHBondContact O-CB 3.48Å; R530-L534 PolarHBondContact O-N 3.03Å; R530-L534 VanDerWaalsContact O-N 3.12Å |
| 531 | I | 55.4 | Low | 56.6 | Low | 68 Ų | 68 | 101 Ų | 101 | 35% | 0.349 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -31.8 | 175.7 | -62.3 | 179 | 0 | 0 | 0 | 111.3 | S526 N528 T529 D533 L534 N535 | S526-I531 WeakPolarHBondContact O-CD1 3.26Å; N528-I531 WeakPolarHBondContact O-CB 3.15Å; N528-I531 PolarHBondContact O-N 2.91Å; T529-I531 PolarHBondContact O-N 3.05Å; T529-I531 VanDerWaalsContact O-N 3.08Å; I531-D533 PolarHBondContact O-N 2.84Å; I531-L534 PolarHBondContact O-N 3.44Å; I531-N535 VanDerWaalsContact O-CB 3.31Å; I531-N535 WeakPolarHBondContact O-CB 3.11Å; I531-N535 PolarHBondContact O-N 3.48Å; I531-N535 PolarHBondContact O-OD1 3.49Å |
| 532 | R | 51.4 | Low | 57 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 36% | 0.358 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 176.9 | -175.8 | 172.8 | 75.6 | 175.2 | -6.4 | 111.2 | T529 R530 N535 L536 S1202 S1205 | T529-R532 VanDerWaalsContact O-CB 3.3Å; T529-R532 WeakPolarHBondContact O-CB 3.47Å; T529-R532 PolarHBondContact O-N 3.5Å; R530-R532 VanDerWaalsContact C-N 3.32Å; R532-N535 PolarHBondContact O-N 3.31Å; R532-L536 WeakPolarHBondContact O-CB 3.48Å; R532-L536 PolarHBondContact O-N 2.95Å; R532-S1202 PolarHBondContact NH1-O 3.44Å; R532-S1205 PolarHBondContact NH1-OG 2.61Å |
| 533 | D | 57.8 | Low | 57.6 | Low | 93 Ų | 93 | 95.5 Ų | 95.5 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.2 | -34.6 | -175.7 | -52 | -25 | 0 | 0 | 0 | 110.5 | I531 L536 Y537 | I531-D533 PolarHBondContact O-N 2.84Å; D533-L536 PolarHBondContact O-N 2.93Å; D533-Y537 WeakPolarHBondContact O-CB 3.2Å; D533-Y537 PolarHBondContact O-N 2.91Å |
| 534 | L | 57.7 | Low | 58.3 | Low | 44 Ų | 44 | 91 Ų | 91 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 170.1 | -166.5 | 86.5 | 0 | 0 | 0 | 112.2 | I516 V520 R530 I531 L536 Y537 I538 | I516-L534 HydrophobicContact CG2-CD1 4.05Å; V520-L534 HydrophobicContact CG1-CD2 4.22Å; V520-L534 HydrophobicContact CG2-CD2 3.68Å; R530-L534 WeakPolarHBondContact O-CB 3.48Å; R530-L534 PolarHBondContact O-N 3.03Å; R530-L534 VanDerWaalsContact O-N 3.12Å; I531-L534 PolarHBondContact O-N 3.44Å; L534-L536 VanDerWaalsContact C-N 3.31Å; L534-L536 PolarHBondContact O-N 2.81Å; L534-Y537 WeakPolarHBondContact O-CB 3.5Å; L534-Y537 PolarHBondContact O-N 3.48Å; L534-I538 HydrophobicContact CD2-CD1 4.07Å; L534-I538 HydrophobicContact CG-CD1 4.05Å; L534-I538 VanDerWaalsContact O-CG1 3.31Å; L534-I538 WeakPolarHBondContact O-CG1 3.38Å; L534-I538 PolarHBondContact O-N 3.46Å |
| 535 | N | 57.4 | Low | 59.3 | Low | 77 Ų | 77 | 91.7 Ų | 91.7 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 178.2 | -74.6 | -3.9 | 0 | 0 | 0 | 111.6 | I531 R532 S539 | I531-N535 VanDerWaalsContact O-CB 3.31Å; I531-N535 WeakPolarHBondContact O-CB 3.11Å; I531-N535 PolarHBondContact O-N 3.48Å; I531-N535 PolarHBondContact O-OD1 3.49Å; R532-N535 PolarHBondContact O-N 3.31Å; N535-S539 WeakPolarHBondContact O-CB 3.34Å; N535-S539 PolarHBondContact O-N 3.09Å |
| 536 | L | 57.3 | Low | 60.5 | Low | 77 Ų | 77 | 94.5 Ų | 94.5 | 40% | 0.403 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 172.8 | -170.2 | 67.8 | 0 | 0 | 0 | 111.2 | R532 D533 L534 S539 H540 | R532-L536 WeakPolarHBondContact O-CB 3.48Å; R532-L536 PolarHBondContact O-N 2.95Å; D533-L536 PolarHBondContact O-N 2.93Å; L534-L536 VanDerWaalsContact C-N 3.31Å; L534-L536 PolarHBondContact O-N 2.81Å; L536-S539 WeakPolarHBondContact O-CB 3.07Å; L536-S539 PolarHBondContact O-N 2.92Å; L536-H540 PolarHBondContact O-CD2 3.12Å; L536-H540 PolarHBondContact O-N 2.98Å |
| 537 | Y | 59.7 | Low | 62 | Low | 89 Ų | 89 | 91.8 Ų | 91.8 | 35% | 0.349 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 174.2 | 172 | -97.3 | 0 | 0 | 0 | 112.7 | D533 L534 S539 H540 H541 | D533-Y537 WeakPolarHBondContact O-CB 3.2Å; D533-Y537 PolarHBondContact O-N 2.91Å; L534-Y537 WeakPolarHBondContact O-CB 3.5Å; L534-Y537 PolarHBondContact O-N 3.48Å; Y537-S539 VanDerWaalsContact C-N 3.34Å; Y537-S539 PolarHBondContact O-N 3.17Å; Y537-H540 PolarHBondContact O-N 3.49Å; Y537-H541 AromaticContact CD2-CD2 3.84Å; Y537-H541 AromaticContact CE1-CD2 3.85Å; Y537-H541 AromaticContact CE2-CD2 3.43Å; Y537-H541 VanDerWaalsContact CE2-CD2 3.43Å; Y537-H541 WeakPolarHBondContact CE2-CD2 3.01Å; Y537-H541 AromaticContact CE2-NE2 3.29Å; Y537-H541 VanDerWaalsContact CE2-NE2 3.29Å; Y537-H541 WeakPolarHBondContact CE2-NE2 3.14Å; Y537-H541 AromaticContact CZ-CD2 3.43Å; Y537-H541 VanDerWaalsContact CZ-CD2 3.43Å; Y537-H541 AromaticContact CZ-NE2 3.34Å; Y537-H541 VanDerWaalsContact CZ-NE2 3.34Å; Y537-H541 PolarHBondContact O-CD2 3.06Å; Y537-H541 PolarHBondContact O-N 2.95Å; Y537-H541 PolarHBondContact OH-NE2 3.26Å |
| 538 | I | 62.8 | Low | 63.5 | Low | 54 Ų | 54 | 82.7 Ų | 82.7 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 175 | -69 | 165.1 | 0 | 0 | 0 | 110.4 | L534 H541 M542 | L534-I538 HydrophobicContact CD2-CD1 4.07Å; L534-I538 HydrophobicContact CG-CD1 4.05Å; L534-I538 VanDerWaalsContact O-CG1 3.31Å; L534-I538 WeakPolarHBondContact O-CG1 3.38Å; L534-I538 PolarHBondContact O-N 3.46Å; I538-H541 PolarHBondContact O-N 2.77Å; I538-M542 HydrophobicContact CG2-CG 4.26Å; I538-M542 WeakPolarHBondContact O-CB 3.4Å; I538-M542 VanDerWaalsContact O-CG 3.28Å; I538-M542 WeakPolarHBondContact O-CG 3.36Å; I538-M542 PolarHBondContact O-N 3.39Å |
| 539 | S | 63.5 | Low | 64.8 | Low | 72 Ų | 72 | 82 Ų | 82 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | N535 L536 Y537 H541 M542 A543 | N535-S539 WeakPolarHBondContact O-CB 3.34Å; N535-S539 PolarHBondContact O-N 3.09Å; L536-S539 WeakPolarHBondContact O-CB 3.07Å; L536-S539 PolarHBondContact O-N 2.92Å; Y537-S539 VanDerWaalsContact C-N 3.34Å; Y537-S539 PolarHBondContact O-N 3.17Å; S539-H541 PolarHBondContact O-N 2.83Å; S539-M542 PolarHBondContact O-N 2.97Å; S539-A543 WeakPolarHBondContact O-CB 3.37Å; S539-A543 PolarHBondContact O-N 3.16Å |
| 540 | H | 64.2 | Low | 66 | Low | 37 Ų | 37 | 80.2 Ų | 80.2 | 17% | 0.171 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.3 | -69.8 | -53.5 | 0 | 0 | 0 | 112.5 | W500 F501 L536 Y537 A543 F544 | W500-H540 PolarHBondContact O-CE1 3.49Å; W500-H540 VanDerWaalsContact O-CE1 3.24Å; F501-H540 AromaticContact CD1-ND1 3.79Å; L536-H540 PolarHBondContact O-CD2 3.12Å; L536-H540 PolarHBondContact O-N 2.98Å; Y537-H540 PolarHBondContact O-N 3.49Å; H540-A543 PolarHBondContact O-N 3.38Å; H540-F544 WeakPolarHBondContact O-CB 3.48Å; H540-F544 PolarHBondContact O-N 3.43Å |
| 541 | H | 67.5 | Low | 67.1 | Low | 86 Ų | 86 | 70.2 Ų | 70.2 | 40% | 0.398 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.5 | -93.2 | -80.6 | 0 | 0 | 0 | 112.3 | Y537 I538 S539 A543 F544 V545 | Y537-H541 AromaticContact CD2-CD2 3.84Å; Y537-H541 AromaticContact CE1-CD2 3.85Å; Y537-H541 AromaticContact CE2-CD2 3.43Å; Y537-H541 VanDerWaalsContact CE2-CD2 3.43Å; Y537-H541 WeakPolarHBondContact CE2-CD2 3.01Å; Y537-H541 AromaticContact CE2-NE2 3.29Å; Y537-H541 VanDerWaalsContact CE2-NE2 3.29Å; Y537-H541 WeakPolarHBondContact CE2-NE2 3.14Å; Y537-H541 AromaticContact CZ-CD2 3.43Å; Y537-H541 VanDerWaalsContact CZ-CD2 3.43Å; Y537-H541 AromaticContact CZ-NE2 3.34Å; Y537-H541 VanDerWaalsContact CZ-NE2 3.34Å; Y537-H541 PolarHBondContact O-CD2 3.06Å; Y537-H541 PolarHBondContact O-N 2.95Å; Y537-H541 PolarHBondContact OH-NE2 3.26Å; I538-H541 PolarHBondContact O-N 2.77Å; S539-H541 PolarHBondContact O-N 2.83Å; H541-A543 VanDerWaalsContact C-N 3.32Å; H541-A543 PolarHBondContact O-N 3.13Å; H541-F544 PolarHBondContact O-N 3.2Å; H541-V545 WeakPolarHBondContact O-CG2 3.38Å; H541-V545 PolarHBondContact O-N 2.78Å |
| 542 | M | 69.5 | Low | 68.1 | Low | 127 Ų | 127 | 68 Ų | 68 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.5 | -38.5 | 176.2 | -73.1 | -67.4 | -83.5 | 0 | 0 | 111.8 | I538 S539 V545 R546 | I538-M542 HydrophobicContact CG2-CG 4.26Å; I538-M542 WeakPolarHBondContact O-CB 3.4Å; I538-M542 VanDerWaalsContact O-CG 3.28Å; I538-M542 WeakPolarHBondContact O-CG 3.36Å; I538-M542 PolarHBondContact O-N 3.39Å; S539-M542 PolarHBondContact O-N 2.97Å; M542-V545 PolarHBondContact O-N 3.31Å; M542-R546 WeakPolarHBondContact O-CB 3.37Å; M542-R546 PolarHBondContact O-N 3.21Å |
| 543 | A | 68.4 | Low | 69.1 | Low | 34 Ų | 34 | 63.7 Ų | 63.7 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F501 S539 H540 H541 R546 L547 | F501-A543 HydrophobicContact CE1-CB 3.82Å; F501-A543 HydrophobicContact CZ-CB 3.74Å; S539-A543 WeakPolarHBondContact O-CB 3.37Å; S539-A543 PolarHBondContact O-N 3.16Å; H540-A543 PolarHBondContact O-N 3.38Å; H541-A543 VanDerWaalsContact C-N 3.32Å; H541-A543 PolarHBondContact O-N 3.13Å; A543-R546 PolarHBondContact O-N 3.09Å; A543-L547 WeakPolarHBondContact O-CB 3.38Å; A543-L547 PolarHBondContact O-N 3.44Å |
| 544 | F | 72.7 | Confident | 70 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 31% | 0.311 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 173.9 | 172.4 | -90.3 | 0 | 0 | 0 | 112.6 | H540 H541 L547 T548 V606 P607 | H540-F544 WeakPolarHBondContact O-CB 3.48Å; H540-F544 PolarHBondContact O-N 3.43Å; H541-F544 PolarHBondContact O-N 3.2Å; F544-L547 PolarHBondContact O-N 2.86Å; F544-T548 WeakPolarHBondContact O-CB 3.28Å; F544-T548 PolarHBondContact O-N 2.69Å; F544-T548 PolarHBondContact O-OG1 2.98Å; F544-V606 HydrophobicContact CZ-CB 4.14Å; F544-P607 HydrophobicContact CD2-CG 3.99Å; F544-P607 HydrophobicContact CE2-CG 3.67Å; F544-P607 HydrophobicContact CZ-CG 4.29Å |
| 545 | V | 71.7 | Confident | 70.8 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 174.4 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | H541 M542 L547 T548 F549 | H541-V545 WeakPolarHBondContact O-CG2 3.38Å; H541-V545 PolarHBondContact O-N 2.78Å; M542-V545 PolarHBondContact O-N 3.31Å; V545-L547 VanDerWaalsContact C-N 3.34Å; V545-L547 PolarHBondContact O-N 3.21Å; V545-T548 PolarHBondContact O-N 3.31Å; V545-F549 WeakPolarHBondContact O-CB 3.43Å; V545-F549 PolarHBondContact O-N 3.02Å |
| 546 | R | 75.8 | Confident | 71.7 | Confident | 180 Ų | 180 | 58.3 Ų | 58.3 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.6 | -35.9 | 177.5 | -165 | 175.4 | -165.9 | 176.1 | 5.5 | 112.6 | M542 A543 K550 | M542-R546 WeakPolarHBondContact O-CB 3.37Å; M542-R546 PolarHBondContact O-N 3.21Å; A543-R546 PolarHBondContact O-N 3.09Å; R546-K550 WeakPolarHBondContact O-CB 3.26Å; R546-K550 VanDerWaalsContact O-CG 3.29Å; R546-K550 WeakPolarHBondContact O-CG 3.39Å; R546-K550 PolarHBondContact O-N 3.16Å |
| 547 | L | 80.9 | Confident | 72.5 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 172.5 | -179.2 | 62.6 | 0 | 0 | 0 | 111.3 | A543 F544 V545 F549 K550 I551 Y603 P607 T735 | A543-L547 WeakPolarHBondContact O-CB 3.38Å; A543-L547 PolarHBondContact O-N 3.44Å; F544-L547 PolarHBondContact O-N 2.86Å; V545-L547 VanDerWaalsContact C-N 3.34Å; V545-L547 PolarHBondContact O-N 3.21Å; L547-F549 VanDerWaalsContact C-N 3.34Å; L547-F549 PolarHBondContact O-N 3.11Å; L547-K550 WeakPolarHBondContact O-CB 3.38Å; L547-K550 PolarHBondContact O-N 2.9Å; L547-I551 HydrophobicContact CD1-CD1 3.91Å; L547-I551 HydrophobicContact CD1-CG1 4.38Å; L547-I551 HydrophobicContact CG-CD1 3.81Å; L547-I551 VanDerWaalsContact O-CG1 3.29Å; L547-I551 WeakPolarHBondContact O-CG1 3.43Å; L547-I551 PolarHBondContact O-N 3.07Å; L547-Y603 HydrophobicContact CD2-CD1 3.96Å; L547-P607 HydrophobicContact CD2-CB 3.82Å; L547-P607 HydrophobicContact CD2-CG 4Å; L547-P607 HydrophobicContact CG-CB 4.16Å; L547-P607 HydrophobicContact CG-CG 4.27Å; L547-T735 HydrophobicContact CD1-CG2 3.85Å |
| 548 | T | 79.7 | Confident | 73 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 111 | F544 V545 I551 I552 V606 L610 | F544-T548 WeakPolarHBondContact O-CB 3.28Å; F544-T548 PolarHBondContact O-N 2.69Å; F544-T548 PolarHBondContact O-OG1 2.98Å; V545-T548 PolarHBondContact O-N 3.31Å; T548-I551 PolarHBondContact O-N 3.32Å; T548-I552 HydrophobicContact CG2-CD1 4Å; T548-I552 WeakPolarHBondContact O-CG1 3.41Å; T548-I552 PolarHBondContact O-N 3.26Å; T548-V606 HydrophobicContact CG2-CG1 4.31Å; T548-L610 HydrophobicContact CG2-CD1 3.96Å |
| 549 | F | 77.2 | Confident | 73.2 | Confident | 87 Ų | 87 | 52 Ų | 52 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 175.5 | -167.5 | -91 | 0 | 0 | 0 | 112.1 | V545 L547 I551 I552 F553 F554 L635 | V545-F549 WeakPolarHBondContact O-CB 3.43Å; V545-F549 PolarHBondContact O-N 3.02Å; L547-F549 VanDerWaalsContact C-N 3.34Å; L547-F549 PolarHBondContact O-N 3.11Å; F549-I551 VanDerWaalsContact C-N 3.31Å; F549-I551 PolarHBondContact O-N 3.14Å; F549-I552 PolarHBondContact O-N 2.94Å; F549-F553 AromaticContact CD1-CD2 3.98Å; F549-F553 HydrophobicContact CD1-CD2 3.98Å; F549-F553 AromaticContact CD2-CD2 3.6Å; F549-F553 HydrophobicContact CD2-CD2 3.6Å; F549-F553 AromaticContact CD2-CE2 3.43Å; F549-F553 HydrophobicContact CD2-CE2 3.43Å; F549-F553 VanDerWaalsContact CD2-CE2 3.43Å; F549-F553 HydrophobicContact CD2-CZ 4.47Å; F549-F553 AromaticContact CE1-CD2 3.97Å; F549-F553 HydrophobicContact CE1-CD2 3.97Å; F549-F553 HydrophobicContact CE1-CG 4.36Å; F549-F553 AromaticContact CE2-CD2 3.58Å; F549-F553 HydrophobicContact CE2-CD2 3.58Å; F549-F553 AromaticContact CE2-CE2 3.3Å; F549-F553 HydrophobicContact CE2-CE2 3.3Å; F549-F553 HydrophobicContact CE2-CG 4.46Å; F549-F553 AromaticContact CE2-CZ 3.97Å; F549-F553 HydrophobicContact CE2-CZ 3.97Å; F549-F553 AromaticContact CG-CD2 3.8Å; F549-F553 HydrophobicContact CG-CD2 3.8Å; F549-F553 HydrophobicContact CG-CE2 4.12Å; F549-F553 AromaticContact CZ-CD2 3.77Å; F549-F553 HydrophobicContact CZ-CD2 3.77Å; F549-F553 AromaticContact CZ-CE2 3.9Å; F549-F553 HydrophobicContact CZ-CE2 3.9Å; F549-F553 HydrophobicContact CZ-CG 4.25Å; F549-F553 HydrophobicContact CZ-CZ 4.44Å; F549-F553 WeakPolarHBondContact O-CD2 3.42Å; F549-F553 PolarHBondContact O-N 3.13Å; F549-F554 HydrophobicContact CD1-CE2 4.13Å; F549-F554 AromaticContact CE1-CE2 3.93Å; F549-F554 HydrophobicContact CE1-CE2 3.93Å; F549-L635 HydrophobicContact CE1-CD1 4.49Å; F549-L635 HydrophobicContact CZ-CD1 4.06Å |
| 550 | K | 78.6 | Confident | 73.4 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -53.7 | -47.1 | 172.4 | -80.8 | 172.8 | 173.4 | -178.7 | 0 | 111.8 | R546 L547 I552 F554 Y734 | R546-K550 WeakPolarHBondContact O-CB 3.26Å; R546-K550 VanDerWaalsContact O-CG 3.29Å; R546-K550 WeakPolarHBondContact O-CG 3.39Å; R546-K550 PolarHBondContact O-N 3.16Å; L547-K550 WeakPolarHBondContact O-CB 3.38Å; L547-K550 PolarHBondContact O-N 2.9Å; K550-I552 VanDerWaalsContact C-N 3.32Å; K550-I552 PolarHBondContact O-N 2.93Å; K550-F554 WeakPolarHBondContact O-CB 3.29Å; K550-F554 PolarHBondContact O-N 3.01Å; K550-F554 VanDerWaalsContact O-N 3.15Å; K550-Y734 HydrophobicContact CB-CD1 3.78Å; K550-Y734 HydrophobicContact CB-CE1 4.22Å; K550-Y734 HydrophobicContact CB-CG 4.35Å; K550-Y734 WeakPolarHBondContact CD-O 3.44Å; K550-Y734 PolarHBondContact NZ-O 3.49Å; K550-Y734 WeakPolarHBondContact O-CE1 3.24Å |
| 551 | I | 79.4 | Confident | 73.3 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69 | -25.8 | -178 | -68.3 | 165.2 | 0 | 0 | 0 | 112.8 | L547 T548 F549 P607 L610 R627 L731 Y734 | L547-I551 HydrophobicContact CD1-CD1 3.91Å; L547-I551 HydrophobicContact CD1-CG1 4.38Å; L547-I551 HydrophobicContact CG-CD1 3.81Å; L547-I551 VanDerWaalsContact O-CG1 3.29Å; L547-I551 WeakPolarHBondContact O-CG1 3.43Å; L547-I551 PolarHBondContact O-N 3.07Å; T548-I551 PolarHBondContact O-N 3.32Å; F549-I551 VanDerWaalsContact C-N 3.31Å; F549-I551 PolarHBondContact O-N 3.14Å; I551-P607 HydrophobicContact CD1-CB 3.68Å; I551-L610 HydrophobicContact CG2-CB 3.62Å; I551-R627 PolarHBondContact O-NH1 3.09Å; I551-R627 PolarHBondContact O-NH2 3.16Å; I551-L731 HydrophobicContact CD1-CD2 3.79Å; I551-Y734 HydrophobicContact CB-CE2 4.35Å; I551-Y734 HydrophobicContact CD1-CD2 4.48Å; I551-Y734 HydrophobicContact CG1-CD2 3.58Å; I551-Y734 HydrophobicContact CG1-CE2 3.63Å; I551-Y734 HydrophobicContact CG1-CG 4.22Å |
| 552 | I | 76 | Confident | 72.9 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -82.8 | -55.9 | 176.2 | -68.8 | 167.3 | 0 | 0 | 0 | 111.3 | T548 F549 K550 L610 R627 L634 L685 | T548-I552 HydrophobicContact CG2-CD1 4Å; T548-I552 WeakPolarHBondContact O-CG1 3.41Å; T548-I552 PolarHBondContact O-N 3.26Å; F549-I552 PolarHBondContact O-N 2.94Å; K550-I552 VanDerWaalsContact C-N 3.32Å; K550-I552 PolarHBondContact O-N 2.93Å; I552-L610 HydrophobicContact CD1-CD1 4.43Å; I552-L610 HydrophobicContact CG1-CD1 4.25Å; I552-R627 PolarHBondContact O-NH1 3.18Å; I552-L634 HydrophobicContact CG2-CD2 3.89Å; I552-L685 HydrophobicContact CG2-CD1 4.3Å |
| 553 | F | 73.6 | Confident | 72.7 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -88.5 | -27.9 | -165.2 | -69.5 | -86.8 | 0 | 0 | 0 | 114.6 | F549 R627 L634 L635 | F549-F553 AromaticContact CD1-CD2 3.98Å; F549-F553 HydrophobicContact CD1-CD2 3.98Å; F549-F553 AromaticContact CD2-CD2 3.6Å; F549-F553 HydrophobicContact CD2-CD2 3.6Å; F549-F553 AromaticContact CD2-CE2 3.43Å; F549-F553 HydrophobicContact CD2-CE2 3.43Å; F549-F553 VanDerWaalsContact CD2-CE2 3.43Å; F549-F553 HydrophobicContact CD2-CZ 4.47Å; F549-F553 AromaticContact CE1-CD2 3.97Å; F549-F553 HydrophobicContact CE1-CD2 3.97Å; F549-F553 HydrophobicContact CE1-CG 4.36Å; F549-F553 AromaticContact CE2-CD2 3.58Å; F549-F553 HydrophobicContact CE2-CD2 3.58Å; F549-F553 AromaticContact CE2-CE2 3.3Å; F549-F553 HydrophobicContact CE2-CE2 3.3Å; F549-F553 HydrophobicContact CE2-CG 4.46Å; F549-F553 AromaticContact CE2-CZ 3.97Å; F549-F553 HydrophobicContact CE2-CZ 3.97Å; F549-F553 AromaticContact CG-CD2 3.8Å; F549-F553 HydrophobicContact CG-CD2 3.8Å; F549-F553 HydrophobicContact CG-CE2 4.12Å; F549-F553 AromaticContact CZ-CD2 3.77Å; F549-F553 HydrophobicContact CZ-CD2 3.77Å; F549-F553 AromaticContact CZ-CE2 3.9Å; F549-F553 HydrophobicContact CZ-CE2 3.9Å; F549-F553 HydrophobicContact CZ-CG 4.25Å; F549-F553 HydrophobicContact CZ-CZ 4.44Å; F549-F553 WeakPolarHBondContact O-CD2 3.42Å; F549-F553 PolarHBondContact O-N 3.13Å; F553-R627 PolarHBondContact O-N 3.11Å; F553-L634 HydrophobicContact CD1-CD2 4.39Å; F553-L634 HydrophobicContact CE1-CB 3.76Å; F553-L634 HydrophobicContact CE1-CD2 3.63Å; F553-L634 HydrophobicContact CE1-CG 3.56Å; F553-L634 HydrophobicContact CZ-CD2 3.71Å; F553-L634 HydrophobicContact CZ-CG 3.81Å; F553-L635 HydrophobicContact CD1-CB 3.94Å; F553-L635 HydrophobicContact CD1-CD1 4.17Å; F553-L635 HydrophobicContact CE1-CB 3.91Å |
| 554 | F | 76.3 | Confident | 72.6 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 20% | 0.202 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 153.1 | -168.9 | -61.9 | -97.6 | 0 | 0 | 0 | 112.6 | F549 K550 P624 L626 R627 Y734 | F549-F554 HydrophobicContact CD1-CE2 4.13Å; F549-F554 AromaticContact CE1-CE2 3.93Å; F549-F554 HydrophobicContact CE1-CE2 3.93Å; K550-F554 WeakPolarHBondContact O-CB 3.29Å; K550-F554 PolarHBondContact O-N 3.01Å; K550-F554 VanDerWaalsContact O-N 3.15Å; F554-P624 HydrophobicContact CB-CB 4.01Å; F554-P624 HydrophobicContact CD1-CB 3.87Å; F554-P624 HydrophobicContact CD1-CG 4.33Å; F554-P624 WeakPolarHBondContact CD1-O 3.37Å; F554-P624 HydrophobicContact CG-CB 4.25Å; F554-L626 HydrophobicContact CD1-CD1 3.93Å; F554-L626 HydrophobicContact CE1-CD1 3.43Å; F554-L626 VanDerWaalsContact CE1-CD1 3.43Å; F554-L626 HydrophobicContact CZ-CD1 3.76Å; F554-R627 PolarHBondContact O-NE 3.29Å; F554-R627 PolarHBondContact O-NH2 3.32Å; F554-Y734 HydrophobicContact CB-CE1 4.5Å; F554-Y734 PolarHBondContact O-OH 3.02Å |
| 555 | N | 75.1 | Confident | 72.1 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -79.5 | 148.8 | 165.1 | -77.4 | -24.4 | 0 | 0 | 0 | 111.3 | K625 R627 | N555-K625 PolarHBondContact N-O 3.16Å; N555-R627 WeakPolarHBondContact OD1-CG 3.43Å; N555-R627 PolarHBondContact OD1-NE 2.78Å |
| 556 | P | 75.8 | Confident | 71.8 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 132 | 175.6 | 27.5 | -33.4 | 0 | 0 | 0 | 109.9 | G619 A733 Y734 | P556-G619 PolarHBondContact O-N 3.35Å; P556-A733 HydrophobicContact CB-CB 4.04Å; P556-Y734 HydrophobicContact CB-CE1 4.33Å; P556-Y734 HydrophobicContact CB-CE2 4.1Å; P556-Y734 WeakPolarHBondContact CD-OH 3.32Å |
| 557 | P | 74.3 | Confident | 71.3 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 158.5 | 178.6 | 31.7 | -35.9 | 0 | 0 | 0 | 111.5 | H621 R622 A733 | P557-H621 WeakPolarHBondContact CA-O 3.31Å; P557-R622 WeakPolarHBondContact CB-O 3.33Å; P557-A733 WeakPolarHBondContact CD-O 3.38Å; P557-A733 VanDerWaalsContact CG-O 3.26Å; P557-A733 WeakPolarHBondContact CG-O 3.37Å |
| 558 | S | 70 | Confident | 70.7 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 120.1 | 165.2 | 48.1 | 0 | 0 | 0 | 0 | 111.1 | G619 H621 R622 | S558-G619 WeakPolarHBondContact CB-O 3.49Å; S558-G619 PolarHBondContact N-O 3.35Å; S558-G619 PolarHBondContact OG-O 3.31Å; S558-H621 PolarHBondContact N-O 2.95Å; S558-H621 PolarHBondContact OG-N 3.04Å; S558-H621 PolarHBondContact OG-O 3.42Å; S558-R622 PolarHBondContact OG-N 3.01Å |
| 559 | L | 67.5 | Low | 70.4 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -83.5 | 131.3 | 158.3 | -63.6 | 169.2 | 0 | 0 | 0 | 107.9 | D563 L564 R736 | L559-D563 HydrophobicContact CB-CB 4.31Å; L559-D563 HydrophobicContact CD2-CB 3.94Å; L559-L564 HydrophobicContact CB-CD1 4.15Å; L559-L564 HydrophobicContact CB-CG 3.93Å; L559-L564 HydrophobicContact CD1-CD2 4.11Å; L559-L564 HydrophobicContact CD1-CG 4.11Å; L559-R736 HydrophobicContact CD2-CG 4.32Å |
| 560 | S | 66.3 | Low | 70.4 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 164.8 | 163.4 | 82.7 | 0 | 0 | 0 | 0 | 109.7 | R562 D563 L564 R865 | S560-R562 VanDerWaalsContact C-N 3.29Å; S560-R562 PolarHBondContact O-N 3.07Å; S560-D563 WeakPolarHBondContact CA-OD2 3.25Å; S560-D563 WeakPolarHBondContact CB-OD2 3.35Å; S560-D563 PolarHBondContact N-OD2 3.01Å; S560-D563 CarbonylContact O-C 3.55Å; S560-D563 WeakPolarHBondContact O-CA 3.44Å; S560-D563 WeakPolarHBondContact O-CB 3.44Å; S560-D563 PolarHBondContact O-N 2.93Å; S560-D563 PolarHBondContact OG-OD2 3.02Å; S560-L564 PolarHBondContact O-N 3.29Å; S560-R865 VanDerWaalsContact CB-NH2 3.34Å; S560-R865 PolarHBondContact OG-NH1 3.17Å; S560-R865 PolarHBondContact OG-NH2 2.84Å |
| 561 | E | 63.4 | Low | 70.6 | Confident | 126 Ų | 126 | 38.9 Ų | 38.9 | 59% | 0.589 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -53.4 | -40.8 | -178.6 | -49.4 | 127 | 150.1 | 0 | 0 | 113.6 | D563 L564 I565 R865 | E561-D563 VanDerWaalsContact C-N 3.26Å; E561-D563 PolarHBondContact O-N 2.86Å; E561-L564 WeakPolarHBondContact O-CB 2.98Å; E561-L564 PolarHBondContact O-N 3.31Å; E561-L564 VanDerWaalsContact O-N 3.12Å; E561-I565 VanDerWaalsContact O-CG1 3.29Å; E561-I565 WeakPolarHBondContact O-CG1 3.3Å; E561-I565 PolarHBondContact O-N 3.3Å; E561-R865 IonicContact OE2-CZ 3.37Å; E561-R865 IonicContact OE2-NE 3.26Å; E561-R865 PolarHBondContact OE2-NE 3.39Å; E561-R865 IonicContact OE2-NH2 2.66Å; E561-R865 PolarHBondContact OE2-NH2 3.18Å |
| 562 | R | 59.2 | Low | 70.9 | Confident | 136 Ų | 136 | 39.1 Ų | 39.1 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.8 | -38.3 | 171.4 | -80.1 | -174.8 | -176.1 | 150.6 | -0.3 | 113 | S560 L564 S566 | S560-R562 VanDerWaalsContact C-N 3.29Å; S560-R562 PolarHBondContact O-N 3.07Å; R562-L564 VanDerWaalsContact C-N 3.33Å; R562-S566 PolarHBondContact O-N 3.45Å; R562-S566 PolarHBondContact O-OG 2.96Å |
| 563 | D | 65.6 | Low | 71.3 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -77.2 | -22.8 | -179.6 | -46.4 | -52.6 | 0 | 0 | 0 | 111.5 | L559 S560 E561 C567 R622 | L559-D563 HydrophobicContact CB-CB 4.31Å; L559-D563 HydrophobicContact CD2-CB 3.94Å; S560-D563 WeakPolarHBondContact CA-OD2 3.25Å; S560-D563 WeakPolarHBondContact CB-OD2 3.35Å; S560-D563 PolarHBondContact N-OD2 3.01Å; S560-D563 CarbonylContact O-C 3.55Å; S560-D563 WeakPolarHBondContact O-CA 3.44Å; S560-D563 WeakPolarHBondContact O-CB 3.44Å; S560-D563 PolarHBondContact O-N 2.93Å; S560-D563 PolarHBondContact OG-OD2 3.02Å; E561-D563 VanDerWaalsContact C-N 3.26Å; E561-D563 PolarHBondContact O-N 2.86Å; D563-C567 PolarHBondContact O-SG 3.47Å; D563-R622 IonicContact OD1-CZ 3.55Å; D563-R622 IonicContact OD1-NE 3.11Å; D563-R622 IonicContact OD1-NH2 2.65Å; D563-R622 PolarHBondContact OD1-NH2 3.17Å; D563-R622 IonicContact OD2-CZ 2.68Å; D563-R622 IonicContact OD2-NE 2.71Å; D563-R622 PolarHBondContact OD2-NE 2.89Å; D563-R622 IonicContact OD2-NH2 2.66Å; D563-R622 PolarHBondContact OD2-NH2 3.31Å |
| 564 | L | 64.9 | Low | 71.7 | Confident | 47 Ų | 47 | 38.4 Ų | 38.4 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -80.3 | -38.3 | 171.2 | -90.4 | 151.3 | 0 | 0 | 0 | 112.3 | L559 S560 E561 R562 S566 C567 Q738 | L559-L564 HydrophobicContact CB-CD1 4.15Å; L559-L564 HydrophobicContact CB-CG 3.93Å; L559-L564 HydrophobicContact CD1-CD2 4.11Å; L559-L564 HydrophobicContact CD1-CG 4.11Å; S560-L564 PolarHBondContact O-N 3.29Å; E561-L564 WeakPolarHBondContact O-CB 2.98Å; E561-L564 PolarHBondContact O-N 3.31Å; E561-L564 VanDerWaalsContact O-N 3.12Å; R562-L564 VanDerWaalsContact C-N 3.33Å; L564-S566 VanDerWaalsContact C-N 3.27Å; L564-S566 PolarHBondContact O-N 3.2Å; L564-C567 WeakPolarHBondContact O-CB 2.95Å; L564-C567 PolarHBondContact O-N 2.98Å; L564-Q738 HydrophobicContact CD2-CG 4.48Å |
| 565 | I | 63.7 | Low | 71.2 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 19% | 0.185 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 178.6 | -74.2 | 163.4 | 0 | 0 | 0 | 110.9 | P464 E561 C567 Y857 | P464-I565 HydrophobicContact CB-CG2 4.31Å; P464-I565 HydrophobicContact CG-CG2 4.24Å; E561-I565 VanDerWaalsContact O-CG1 3.29Å; E561-I565 WeakPolarHBondContact O-CG1 3.3Å; E561-I565 PolarHBondContact O-N 3.3Å; I565-C567 VanDerWaalsContact C-N 3.32Å; I565-C567 PolarHBondContact O-N 2.85Å; I565-Y857 WeakPolarHBondContact CG2-OH 3.28Å; I565-Y857 PolarHBondContact O-OH 3.23Å |
| 566 | S | 64 | Low | 70.7 | Confident | 87 Ų | 87 | 40.4 Ų | 40.4 | 61% | 0.608 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.7 | 176.3 | 56.2 | 0 | 0 | 0 | 0 | 115 | R562 L564 | R562-S566 PolarHBondContact O-N 3.45Å; R562-S566 PolarHBondContact O-OG 2.96Å; L564-S566 VanDerWaalsContact C-N 3.27Å; L564-S566 PolarHBondContact O-N 3.2Å |
| 567 | C | 66.2 | Low | 70 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -78.1 | 140 | 175.3 | -76.1 | 0 | 0 | 0 | 0 | 111.6 | D563 L564 I565 I569 R736 Q738 | D563-C567 PolarHBondContact O-SG 3.47Å; L564-C567 WeakPolarHBondContact O-CB 2.95Å; L564-C567 PolarHBondContact O-N 2.98Å; I565-C567 VanDerWaalsContact C-N 3.32Å; I565-C567 PolarHBondContact O-N 2.85Å; C567-I569 PolarHBondContact O-N 2.93Å; C567-R736 PolarHBondContact SG-O 3.01Å; C567-Q738 HydrophobicContact CB-CB 4.35Å |
| 568 | P | 68.1 | Low | 69.3 | Low | 37 Ų | 37 | 55.9 Ų | 55.9 | 24% | 0.24 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 135.7 | 169.4 | 25.5 | -35.6 | 0 | 0 | 0 | 111.7 | R498 R736 Q738 | R498-P568 HydrophobicContact CB-CB 4.2Å; P568-R736 WeakPolarHBondContact CD-O 3.13Å; P568-Q738 PolarHBondContact O-N 2.91Å |
| 569 | I | 73.5 | Confident | 68.8 | Low | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 138.7 | 180 | -57.4 | 171.6 | 0 | 0 | 0 | 110.1 | C462 P464 R498 C567 F571 Q738 R740 | C462-I569 WeakPolarHBondContact O-CD1 3.3Å; P464-I569 HydrophobicContact CB-CD1 4.18Å; R498-I569 PolarHBondContact N-O 2.99Å; C567-I569 PolarHBondContact O-N 2.93Å; I569-F571 HydrophobicContact CG2-CE1 4.34Å; I569-F571 HydrophobicContact CG2-CE2 3.89Å; I569-F571 HydrophobicContact CG2-CZ 3.77Å; I569-Q738 WeakPolarHBondContact CA-O 3.3Å; I569-Q738 HydrophobicContact CG1-CB 4.37Å; I569-R740 HydrophobicContact CG2-CG 4.29Å |
| 570 | S | 77.3 | Confident | 68.5 | Low | 10 Ų | 10 | 55.9 Ų | 55.9 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.9 | 175.7 | 50 | 0 | 0 | 0 | 0 | 110.5 | Q738 T739 R740 | S570-Q738 PolarHBondContact N-O 3.31Å; S570-T739 CarbonylContact O-C 3.44Å; S570-T739 WeakPolarHBondContact O-CA 3.25Å; S570-T739 VanDerWaalsContact OG-CG2 3.24Å; S570-T739 WeakPolarHBondContact OG-CG2 3.3Å; S570-R740 PolarHBondContact O-N 2.77Å |
| 571 | F | 83 | Confident | 68 | Low | 16 Ų | 16 | 56.4 Ų | 56.4 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.6 | -179.1 | -62.2 | -82.4 | 0 | 0 | 0 | 110.2 | C462 L493 I569 F573 R740 V742 I776 | C462-F571 HydrophobicContact CB-CZ 4.47Å; C462-F571 WeakPolarHBondContact SG-CE2 3.48Å; C462-F571 WeakPolarHBondContact SG-CZ 3.46Å; L493-F571 HydrophobicContact CB-CD2 4.26Å; L493-F571 HydrophobicContact CB-CG 4.45Å; L493-F571 HydrophobicContact CD2-CD1 4.37Å; L493-F571 HydrophobicContact CD2-CD2 4.39Å; L493-F571 HydrophobicContact CD2-CE1 3.9Å; L493-F571 HydrophobicContact CD2-CE2 3.94Å; L493-F571 HydrophobicContact CD2-CZ 3.67Å; L493-F571 WeakPolarHBondContact O-CD2 2.94Å; I569-F571 HydrophobicContact CG2-CE1 4.34Å; I569-F571 HydrophobicContact CG2-CE2 3.89Å; I569-F571 HydrophobicContact CG2-CZ 3.77Å; F571-F573 HydrophobicContact CB-CD2 4.44Å; F571-F573 HydrophobicContact CB-CE1 4.46Å; F571-F573 HydrophobicContact CB-CE2 3.61Å; F571-F573 HydrophobicContact CB-CZ 3.63Å; F571-F573 HydrophobicContact CG-CZ 4.44Å; F571-R740 WeakPolarHBondContact CA-O 3.45Å; F571-R740 HydrophobicContact CD1-CB 3.74Å; F571-R740 HydrophobicContact CE1-CB 3.88Å; F571-R740 HydrophobicContact CE1-CG 4.3Å; F571-V742 HydrophobicContact CB-CG2 4.11Å; F571-V742 HydrophobicContact CD1-CG2 3.59Å; F571-V742 HydrophobicContact CE1-CG2 4.5Å; F571-V742 HydrophobicContact CG-CG2 4.26Å; F571-I776 HydrophobicContact CE1-CD1 4.02Å |
| 572 | L | 84.4 | Confident | 67.8 | Low | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.2 | 170.2 | -56.2 | 178.4 | 0 | 0 | 0 | 107.8 | E598 L599 H602 R740 L741 V742 | L572-E598 HydrophobicContact CB-CB 4.48Å; L572-L599 HydrophobicContact CD1-CB 4.5Å; L572-L599 HydrophobicContact CD1-CD1 3.71Å; L572-H602 HydrophobicContact CD2-CB 3.8Å; L572-R740 PolarHBondContact N-O 3.2Å; L572-L741 HydrophobicContact CB-CD2 3.89Å; L572-L741 HydrophobicContact CD1-CD2 4Å; L572-L741 HydrophobicContact CG-CD2 4.38Å; L572-V742 PolarHBondContact O-N 3.02Å |
| 573 | F | 84.5 | Confident | 68.2 | Low | 10 Ų | 10 | 56.8 Ų | 56.8 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.3 | -172.1 | -61.1 | -93.8 | 0 | 0 | 0 | 110.8 | K490 L493 Q494 F571 V742 L744 | K490-F573 HydrophobicContact CB-CE1 4.26Å; K490-F573 HydrophobicContact CD-CD1 4.19Å; K490-F573 HydrophobicContact CD-CG 4.34Å; K490-F573 HydrophobicContact CG-CD1 3.8Å; K490-F573 HydrophobicContact CG-CE1 3.74Å; K490-F573 HydrophobicContact CG-CG 4.24Å; K490-F573 HydrophobicContact CG-CZ 4.13Å; L493-F573 HydrophobicContact CB-CE1 4.22Å; L493-F573 HydrophobicContact CB-CZ 3.8Å; L493-F573 HydrophobicContact CD1-CE1 4.13Å; L493-F573 HydrophobicContact CD1-CZ 4.49Å; Q494-F573 HydrophobicContact CG-CD2 4.36Å; Q494-F573 HydrophobicContact CG-CE2 3.48Å; Q494-F573 VanDerWaalsContact CG-CE2 3.48Å; Q494-F573 HydrophobicContact CG-CZ 3.81Å; F571-F573 HydrophobicContact CB-CD2 4.44Å; F571-F573 HydrophobicContact CB-CE1 4.46Å; F571-F573 HydrophobicContact CB-CE2 3.61Å; F571-F573 HydrophobicContact CB-CZ 3.63Å; F571-F573 HydrophobicContact CG-CZ 4.44Å; F573-V742 WeakPolarHBondContact CA-O 3.43Å; F573-V742 HydrophobicContact CD1-CB 3.6Å; F573-V742 HydrophobicContact CD1-CG1 3.81Å; F573-V742 HydrophobicContact CD1-CG2 4.19Å; F573-V742 HydrophobicContact CE1-CB 3.84Å; F573-V742 HydrophobicContact CE1-CG1 3.89Å; F573-V742 HydrophobicContact CE1-CG2 3.96Å; F573-V742 HydrophobicContact CG-CB 4.37Å; F573-L744 HydrophobicContact CD1-CD1 4Å |
| 574 | A | 82.7 | Confident | 68.5 | Low | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | I591 L595 V742 | A574-I591 HydrophobicContact CB-CG2 3.95Å; A574-L595 HydrophobicContact CB-CD2 4.08Å; A574-L595 HydrophobicContact CB-CG 4.16Å; A574-V742 PolarHBondContact N-O 2.95Å |
| 575 | D | 66.1 | Low | 69.1 | Low | 74 Ų | 74 | 56.5 Ų | 56.5 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | trans | -97.6 | 10.5 | -174.7 | -111.4 | -23.9 | 0 | 0 | 0 | 114 | K490 R577 S594 | K490-D575 IonicContact NZ-OD1 2.93Å; K490-D575 PolarHBondContact NZ-OD1 3.1Å; K490-D575 IonicContact NZ-OD2 3.4Å; D575-R577 IonicContact OD1-NH2 3.48Å; D575-S594 PolarHBondContact N-OG 3.34Å | ||
| 576 | Y | 64.3 | Low | 69.9 | Low | 68 Ų | 68 | 57.9 Ų | 57.9 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | trans | -89 | 114.6 | 179 | -160.9 | -96.4 | 0 | 0 | 0 | 111.3 | R578 A587 N590 I591 | Y576-R578 WeakPolarHBondContact CE1-O 3.48Å; Y576-A587 HydrophobicContact CD1-CB 4.18Å; Y576-A587 HydrophobicContact CE1-CB 3.57Å; Y576-N590 HydrophobicContact CD2-CB 3.75Å; Y576-N590 HydrophobicContact CE2-CB 3.86Å; Y576-N590 HydrophobicContact CG-CB 4.16Å; Y576-I591 HydrophobicContact CD1-CG1 4.45Å | ||
| 577 | R | 60.3 | Low | 70.5 | Confident | 139 Ų | 139 | 53.8 Ų | 53.8 | 53% | 0.525 | 25% | 0.252 | S | S | . | . | trans | -115.3 | 12.3 | -163.3 | -49.8 | -173.3 | -166.7 | 174.9 | 4.5 | 116.6 | D575 | D575-R577 IonicContact OD1-NH2 3.48Š| ||
| 578 | R | 59.9 | Low | 71.3 | Confident | 202 Ų | 202 | 53.3 Ų | 53.3 | 76% | 0.762 | 25% | 0.248 | S | C | * | . | trans | -143.8 | 119.3 | -178.1 | -71.2 | -175.1 | 174.4 | 176 | -3.2 | 111 | Y576 | Y576-R578 WeakPolarHBondContact CE1-O 3.48Š| ||
| 579 | L | 60.4 | Low | 72.1 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | trans | -97.7 | 112.4 | 161.4 | -78.9 | 77.3 | 0 | 0 | 0 | 107.5 | A587 M745 T759 | L579-A587 HydrophobicContact CG-CB 4.14Å; L579-M745 HydrophobicContact CD1-CE 3.49Å; L579-M745 VanDerWaalsContact CD1-CE 3.49Å; L579-M745 HydrophobicContact CD2-CE 3.74Å; L579-M745 HydrophobicContact CG-CE 4.28Å; L579-T759 HydrophobicContact CD2-CG2 4.38Å | ||
| 580 | S | 59.7 | Low | 72.6 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | trans | -97.8 | 154.5 | 173.3 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | F582 E583 | S580-F582 PolarHBondContact O-N 3.2Å; S580-E583 PolarHBondContact O-N 3.41Å | ||
| 581 | N | 57 | Low | 72.9 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -12.8 | -166.9 | -55 | 22.9 | 0 | 0 | 0 | 115.8 | S750 C751 R755 | N581-S750 PolarHBondContact ND2-O 3.04Å; N581-S750 PolarHBondContact OD1-O 3.11Å; N581-S750 VanDerWaalsContact OD1-O 3.13Å; N581-C751 PolarHBondContact OD1-SG 2.94Å; N581-C751 VanDerWaalsContact OD1-SG 3.37Å; N581-R755 PolarHBondContact O-NH1 2.83Å |
| 582 | F | 59.8 | Low | 73 | Confident | 178 Ų | 178 | 51.8 Ų | 51.8 | 78% | 0.781 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -20.2 | -171.3 | -76.4 | -93 | 0 | 0 | 0 | 114.9 | S580 | S580-F582 PolarHBondContact O-N 3.2Š|
| 583 | E | 67.2 | Low | 73.1 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | trans | -135.8 | 43.7 | -159.5 | -70 | -177 | -152.7 | 0 | 0 | 115 | S580 E585 H586 A587 | S580-E583 PolarHBondContact O-N 3.41Å; E583-E585 VanDerWaalsContact C-N 3.31Å; E583-E585 PolarHBondContact O-N 3.05Å; E583-H586 HydrophobicContact CB-CB 4.26Å; E583-H586 PolarHBondContact O-N 2.93Å; E583-A587 WeakPolarHBondContact O-CB 3.44Å; E583-A587 PolarHBondContact O-N 3.12Å | ||
| 584 | C | 72.2 | Confident | 73.1 | Confident | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.3 | -43.5 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | A587 L588 T759 | C584-A587 WeakPolarHBondContact O-CB 3.48Å; C584-A587 PolarHBondContact O-N 2.9Å; C584-L588 WeakPolarHBondContact O-CG 3.47Å; C584-L588 PolarHBondContact O-N 2.94Å; C584-T759 HydrophobicContact CB-CG2 4.05Å |
| 585 | E | 76.8 | Confident | 73.4 | Confident | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.229 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | -177.8 | -65.8 | 179 | -135.8 | 0 | 0 | 112.6 | E583 L588 N589 L705 F710 F713 | E583-E585 VanDerWaalsContact C-N 3.31Å; E583-E585 PolarHBondContact O-N 3.05Å; E585-L588 PolarHBondContact O-N 2.96Å; E585-N589 PolarHBondContact O-N 2.93Å; E585-N589 VanDerWaalsContact O-N 3.1Å; E585-L705 HydrophobicContact CB-CD1 3.84Å; E585-L705 HydrophobicContact CB-CG 4.39Å; E585-F710 HydrophobicContact CG-CD2 3.77Å; E585-F710 HydrophobicContact CG-CE2 3.9Å; E585-F710 WeakPolarHBondContact OE1-CD2 3.43Å; E585-F713 HydrophobicContact CB-CD1 4.18Å; E585-F713 HydrophobicContact CB-CE1 3.59Å; E585-F713 HydrophobicContact CB-CZ 4.08Å; E585-F713 HydrophobicContact CG-CD1 4.06Å; E585-F713 HydrophobicContact CG-CE1 3.94Å |
| 586 | H | 79.9 | Confident | 74.4 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 173.5 | -62.3 | -83 | 0 | 0 | 0 | 111.3 | E583 L588 N589 N590 | E583-H586 HydrophobicContact CB-CB 4.26Å; E583-H586 PolarHBondContact O-N 2.93Å; H586-L588 PolarHBondContact O-N 2.79Å; H586-N589 PolarHBondContact O-N 3.24Å; H586-N590 VanDerWaalsContact O-CB 3.25Å; H586-N590 WeakPolarHBondContact O-CB 3.49Å; H586-N590 PolarHBondContact O-N 3.32Å; H586-N590 PolarHBondContact O-ND2 2.88Å; H586-N590 VanDerWaalsContact O-ND2 3.09Å |
| 587 | A | 77.1 | Confident | 75.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y576 L579 E583 C584 N590 I591 | Y576-A587 HydrophobicContact CD1-CB 4.18Å; Y576-A587 HydrophobicContact CE1-CB 3.57Å; L579-A587 HydrophobicContact CG-CB 4.14Å; E583-A587 WeakPolarHBondContact O-CB 3.44Å; E583-A587 PolarHBondContact O-N 3.12Å; C584-A587 WeakPolarHBondContact O-CB 3.48Å; C584-A587 PolarHBondContact O-N 2.9Å; A587-N590 PolarHBondContact O-N 3.39Å; A587-I591 VanDerWaalsContact O-CG1 3.28Å; A587-I591 WeakPolarHBondContact O-CG1 3.45Å; A587-I591 PolarHBondContact O-N 3.31Å |
| 588 | L | 82.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 178.4 | -67 | 167.6 | 0 | 0 | 0 | 112.3 | C584 E585 H586 I591 I592 M714 L717 A762 V763 L766 F767 | C584-L588 WeakPolarHBondContact O-CG 3.47Å; C584-L588 PolarHBondContact O-N 2.94Å; E585-L588 PolarHBondContact O-N 2.96Å; H586-L588 PolarHBondContact O-N 2.79Å; L588-I591 PolarHBondContact O-N 3.27Å; L588-I592 WeakPolarHBondContact O-CG1 3.27Å; L588-I592 PolarHBondContact O-N 2.91Å; L588-M714 HydrophobicContact CD1-SD 4.19Å; L588-L717 HydrophobicContact CB-CD1 4.18Å; L588-A762 HydrophobicContact CD1-CB 4Å; L588-V763 HydrophobicContact CD2-CG2 3.88Å; L588-L766 HydrophobicContact CB-CD1 4.2Å; L588-L766 HydrophobicContact CD1-CD1 3.92Å; L588-L766 HydrophobicContact CD2-CD1 3.95Å; L588-L766 HydrophobicContact CG-CD1 4.24Å; L588-F767 HydrophobicContact CD2-CE2 4.3Å |
| 589 | N | 85.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.5 | -43.1 | 175.6 | -165.7 | -35.4 | 0 | 0 | 0 | 111.6 | E585 H586 I591 I592 D593 M698 L702 F713 L717 | E585-N589 PolarHBondContact O-N 2.93Å; E585-N589 VanDerWaalsContact O-N 3.1Å; H586-N589 PolarHBondContact O-N 3.24Å; N589-I591 VanDerWaalsContact C-N 3.33Å; N589-I591 PolarHBondContact O-N 2.81Å; N589-I592 PolarHBondContact O-N 3.06Å; N589-D593 PolarHBondContact O-N 2.69Å; N589-M698 PolarHBondContact ND2-O 3.03Å; N589-L702 HydrophobicContact CB-CD2 3.85Å; N589-L702 HydrophobicContact CB-CG 4.44Å; N589-L702 WeakPolarHBondContact ND2-CG 3.43Å; N589-F713 HydrophobicContact CB-CZ 4.27Å; N589-L717 HydrophobicContact CB-CD2 4.47Å |
| 590 | N | 83.6 | Confident | 78.8 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.5 | -35.4 | 176.2 | -72.8 | -29.3 | 0 | 0 | 0 | 112.9 | Y576 H586 A587 I592 S594 | Y576-N590 HydrophobicContact CD2-CB 3.75Å; Y576-N590 HydrophobicContact CE2-CB 3.86Å; Y576-N590 HydrophobicContact CG-CB 4.16Å; H586-N590 VanDerWaalsContact O-CB 3.25Å; H586-N590 WeakPolarHBondContact O-CB 3.49Å; H586-N590 PolarHBondContact O-N 3.32Å; H586-N590 PolarHBondContact O-ND2 2.88Å; H586-N590 VanDerWaalsContact O-ND2 3.09Å; A587-N590 PolarHBondContact O-N 3.39Å; N590-I592 VanDerWaalsContact C-N 3.31Å; N590-I592 PolarHBondContact O-N 3.14Å; N590-S594 VanDerWaalsContact O-CB 3.31Å; N590-S594 WeakPolarHBondContact O-CB 3.37Å; N590-S594 PolarHBondContact O-N 3.27Å |
| 591 | I | 84.2 | Confident | 79.8 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -43.3 | 170.7 | -75.3 | 164.3 | 0 | 0 | 0 | 110.5 | A574 Y576 A587 L588 N589 S594 L595 I743 M745 F767 | A574-I591 HydrophobicContact CB-CG2 3.95Å; Y576-I591 HydrophobicContact CD1-CG1 4.45Å; A587-I591 VanDerWaalsContact O-CG1 3.28Å; A587-I591 WeakPolarHBondContact O-CG1 3.45Å; A587-I591 PolarHBondContact O-N 3.31Å; L588-I591 PolarHBondContact O-N 3.27Å; N589-I591 VanDerWaalsContact C-N 3.33Å; N589-I591 PolarHBondContact O-N 2.81Å; I591-S594 WeakPolarHBondContact O-CB 3.39Å; I591-S594 PolarHBondContact O-N 3.49Å; I591-L595 HydrophobicContact CG2-CD1 4.22Å; I591-L595 WeakPolarHBondContact O-CG 3.45Å; I591-L595 PolarHBondContact O-N 3.14Å; I591-I743 HydrophobicContact CD1-CG2 4.25Å; I591-I743 HydrophobicContact CG2-CD1 4.17Å; I591-I743 HydrophobicContact CG2-CG1 4.37Å; I591-I743 HydrophobicContact CG2-CG2 4.21Å; I591-M745 HydrophobicContact CD1-CE 4.33Å; I591-F767 HydrophobicContact CG2-CZ 4.08Å |
| 592 | I | 86 | Confident | 80.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.8 | -38.7 | -177.5 | -60.2 | 161 | 0 | 0 | 0 | 111.8 | L588 N589 N590 S594 L595 Y596 M698 L717 V721 | L588-I592 WeakPolarHBondContact O-CG1 3.27Å; L588-I592 PolarHBondContact O-N 2.91Å; N589-I592 PolarHBondContact O-N 3.06Å; N590-I592 VanDerWaalsContact C-N 3.31Å; N590-I592 PolarHBondContact O-N 3.14Å; I592-S594 VanDerWaalsContact C-N 3.31Å; I592-S594 PolarHBondContact O-N 2.94Å; I592-L595 PolarHBondContact O-N 3.01Å; I592-Y596 HydrophobicContact CG2-CD2 4.04Å; I592-Y596 HydrophobicContact CG2-CE2 4Å; I592-Y596 PolarHBondContact O-N 2.73Å; I592-M698 HydrophobicContact CB-SD 3.89Å; I592-M698 HydrophobicContact CG2-CE 4.11Å; I592-M698 HydrophobicContact CG2-SD 3.5Å; I592-M698 WeakPolarHBondContact CG2-SD 3.42Å; I592-L717 HydrophobicContact CD1-CB 4.46Å; I592-L717 HydrophobicContact CD1-CD2 3.98Å; I592-V721 HydrophobicContact CD1-CG2 3.64Å; I592-V721 HydrophobicContact CG1-CG2 4.16Å |
| 593 | D | 84.8 | Confident | 81.7 | Confident | 34 Ų | 34 | 26 Ų | 26 | 18% | 0.182 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.3 | -34.4 | 172.2 | -164.3 | 65.1 | 0 | 0 | 0 | 112 | N589 Y596 G597 R695 M698 | N589-D593 PolarHBondContact O-N 2.69Å; D593-Y596 PolarHBondContact O-N 2.66Å; D593-G597 PolarHBondContact O-N 3.23Å; D593-R695 WeakPolarHBondContact OD1-CA 3.41Å; D593-R695 WeakPolarHBondContact OD1-CG 3.28Å; D593-R695 IonicContact OD2-NE 3.67Å; D593-M698 HydrophobicContact CB-CB 4.14Å; D593-M698 HydrophobicContact CB-CG 3.99Å |
| 594 | S | 86.1 | Confident | 82.2 | Confident | 28 Ų | 28 | 22.2 Ų | 22.2 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 171.4 | -175 | 0 | 0 | 0 | 0 | 111.7 | D575 N590 I591 I592 G597 E598 | D575-S594 PolarHBondContact N-OG 3.34Å; N590-S594 VanDerWaalsContact O-CB 3.31Å; N590-S594 WeakPolarHBondContact O-CB 3.37Å; N590-S594 PolarHBondContact O-N 3.27Å; I591-S594 WeakPolarHBondContact O-CB 3.39Å; I591-S594 PolarHBondContact O-N 3.49Å; I592-S594 VanDerWaalsContact C-N 3.31Å; I592-S594 PolarHBondContact O-N 2.94Å; S594-G597 WeakPolarHBondContact O-CA 3.35Å; S594-G597 PolarHBondContact O-N 3.18Å; S594-G597 VanDerWaalsContact O-N 3.09Å; S594-E598 PolarHBondContact O-N 3.24Å |
| 595 | L | 87.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 177.9 | -70 | 170.9 | 0 | 0 | 0 | 111.9 | A574 I591 I592 G597 L599 L724 L741 F775 | A574-L595 HydrophobicContact CB-CD2 4.08Å; A574-L595 HydrophobicContact CB-CG 4.16Å; I591-L595 HydrophobicContact CG2-CD1 4.22Å; I591-L595 WeakPolarHBondContact O-CG 3.45Å; I591-L595 PolarHBondContact O-N 3.14Å; I592-L595 PolarHBondContact O-N 3.01Å; L595-G597 VanDerWaalsContact C-N 3.31Å; L595-G597 PolarHBondContact O-N 3.28Å; L595-L599 WeakPolarHBondContact O-CB 3.32Å; L595-L599 PolarHBondContact O-N 3Å; L595-L724 HydrophobicContact CB-CD2 4.19Å; L595-L724 HydrophobicContact CD1-CD2 4.24Å; L595-L741 HydrophobicContact CD2-CB 4.37Å; L595-L741 HydrophobicContact CD2-CD2 4.35Å; L595-F775 HydrophobicContact CD1-CE1 4.36Å |
| 596 | Y | 87.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.1 | -32.1 | 170.9 | -84.8 | -56 | 0 | 0 | 0 | 112.9 | I592 D593 L599 E600 R612 P694 M698 E720 L724 | I592-Y596 HydrophobicContact CG2-CD2 4.04Å; I592-Y596 HydrophobicContact CG2-CE2 4Å; I592-Y596 PolarHBondContact O-N 2.73Å; D593-Y596 PolarHBondContact O-N 2.66Å; Y596-L599 HydrophobicContact CD1-CD2 4.41Å; Y596-E600 PolarHBondContact O-N 3.07Å; Y596-R612 PolarHBondContact OH-NH1 3Å; Y596-P694 HydrophobicContact CD1-CB 3.75Å; Y596-P694 HydrophobicContact CD1-CG 4.21Å; Y596-P694 HydrophobicContact CD2-CB 3.9Å; Y596-P694 HydrophobicContact CE1-CB 4.13Å; Y596-P694 HydrophobicContact CE2-CB 4.24Å; Y596-P694 HydrophobicContact CG-CB 3.65Å; Y596-P694 HydrophobicContact CG-CG 4.29Å; Y596-M698 HydrophobicContact CD2-CG 4.42Å; Y596-M698 HydrophobicContact CE2-CE 4.29Å; Y596-E720 PolarHBondContact OH-O 2.71Å; Y596-L724 HydrophobicContact CD1-CD1 3.73Å; Y596-L724 HydrophobicContact CE1-CB 4.33Å; Y596-L724 HydrophobicContact CE1-CD1 3.43Å; Y596-L724 VanDerWaalsContact CE1-CD1 3.43Å; Y596-L724 HydrophobicContact CE1-CG 4.47Å; Y596-L724 HydrophobicContact CE2-CD1 4.45Å; Y596-L724 HydrophobicContact CG-CD1 4.33Å; Y596-L724 PolarHBondContact OH-N 3.17Å |
| 597 | G | 83.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D593 S594 L595 L599 E600 C601 | D593-G597 PolarHBondContact O-N 3.23Å; S594-G597 WeakPolarHBondContact O-CA 3.35Å; S594-G597 PolarHBondContact O-N 3.18Å; S594-G597 VanDerWaalsContact O-N 3.09Å; L595-G597 VanDerWaalsContact C-N 3.31Å; L595-G597 PolarHBondContact O-N 3.28Å; G597-L599 VanDerWaalsContact C-N 3.35Å; G597-E600 PolarHBondContact O-N 3.11Å; G597-C601 PolarHBondContact O-N 3.48Å; G597-C601 VanDerWaalsContact O-N 3.11Å |
| 598 | E | 83.5 | Confident | 83.2 | Confident | 72 Ų | 72 | 26.6 Ų | 26.6 | 34% | 0.336 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68 | -33.9 | 177.3 | -71 | -53.8 | 107.4 | 0 | 0 | 112.3 | L572 S594 C601 H602 | L572-E598 HydrophobicContact CB-CB 4.48Å; S594-E598 PolarHBondContact O-N 3.24Å; E598-C601 WeakPolarHBondContact O-CA 3.46Å; E598-C601 VanDerWaalsContact O-CB 3.27Å; E598-C601 WeakPolarHBondContact O-CB 3.49Å; E598-C601 PolarHBondContact O-N 3.34Å; E598-C601 VanDerWaalsContact O-N 3.09Å; E598-H602 WeakPolarHBondContact O-CB 3.32Å; E598-H602 PolarHBondContact O-N 3.49Å |
| 599 | L | 85.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 173.7 | -165.7 | 72.4 | 0 | 0 | 0 | 112.1 | L572 L595 Y596 G597 C601 Y603 V608 L724 I728 L731 | L572-L599 HydrophobicContact CD1-CB 4.5Å; L572-L599 HydrophobicContact CD1-CD1 3.71Å; L595-L599 WeakPolarHBondContact O-CB 3.32Å; L595-L599 PolarHBondContact O-N 3Å; Y596-L599 HydrophobicContact CD1-CD2 4.41Å; G597-L599 VanDerWaalsContact C-N 3.35Å; L599-C601 PolarHBondContact O-N 3.48Å; L599-Y603 HydrophobicContact CD1-CD2 3.61Å; L599-Y603 HydrophobicContact CD1-CE2 3.79Å; L599-Y603 HydrophobicContact CG-CD2 4.35Å; L599-Y603 PolarHBondContact O-N 3.34Å; L599-V608 HydrophobicContact CD2-CG1 3.89Å; L599-V608 HydrophobicContact CD2-CG2 4.5Å; L599-V608 HydrophobicContact CG-CG1 4.22Å; L599-V608 HydrophobicContact CG-CG2 4.04Å; L599-V608 WeakPolarHBondContact O-CG2 3.48Å; L599-L724 HydrophobicContact CD2-CD1 4.03Å; L599-I728 HydrophobicContact CD1-CD1 4.35Å; L599-I728 HydrophobicContact CD1-CG1 3.81Å; L599-I728 HydrophobicContact CD2-CG1 4.02Å; L599-L731 HydrophobicContact CD1-CD1 4.29Å; L599-L731 HydrophobicContact CD2-CD1 4.42Å; L599-L731 HydrophobicContact CG-CD1 4.44Å |
| 600 | E | 85.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 29.5 Ų | 29.5 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -18.2 | 172.2 | -80.8 | -159.8 | 177.4 | 0 | 0 | 113.4 | Y596 G597 G604 R605 V608 R609 | Y596-E600 PolarHBondContact O-N 3.07Å; G597-E600 PolarHBondContact O-N 3.11Å; E600-G604 CarbonylContact O-C 3.49Å; E600-G604 VanDerWaalsContact O-C 3.3Å; E600-G604 WeakPolarHBondContact O-CA 3.39Å; E600-G604 PolarHBondContact O-N 3.48Å; E600-R605 HydrophobicContact CB-CG 4.3Å; E600-R605 PolarHBondContact O-N 3.39Å; E600-V608 HydrophobicContact CG-CB 4.35Å; E600-V608 HydrophobicContact CG-CG1 4.2Å; E600-R609 IonicContact OE1-CZ 2.81Å; E600-R609 VanDerWaalsContact OE1-CZ 3.22Å; E600-R609 IonicContact OE1-NE 3.86Å; E600-R609 PolarHBondContact OE1-NE 3.23Å; E600-R609 IonicContact OE1-NH2 3.16Å; E600-R609 PolarHBondContact OE1-NH2 2.87Å; E600-R609 IonicContact OE2-CZ 2.93Å; E600-R609 IonicContact OE2-NE 2.69Å; E600-R609 IonicContact OE2-NH2 3.06Å; E600-R609 PolarHBondContact OE2-NH2 3.08Å |
| 601 | C | 79.6 | Confident | 83.1 | Confident | 43 Ų | 43 | 27.1 Ų | 27.1 | 29% | 0.291 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -83.6 | -51.9 | 175.7 | -155.2 | 0 | 0 | 0 | 0 | 111.4 | G597 E598 L599 | G597-C601 PolarHBondContact O-N 3.48Å; G597-C601 VanDerWaalsContact O-N 3.11Å; E598-C601 WeakPolarHBondContact O-CA 3.46Å; E598-C601 VanDerWaalsContact O-CB 3.27Å; E598-C601 WeakPolarHBondContact O-CB 3.49Å; E598-C601 PolarHBondContact O-N 3.34Å; E598-C601 VanDerWaalsContact O-N 3.09Å; L599-C601 PolarHBondContact O-N 3.48Å |
| 602 | H | 77.6 | Confident | 83 | Confident | 40 Ų | 40 | 27.9 Ų | 27.9 | 19% | 0.185 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.8 | -47.5 | -174.6 | -177.6 | -100.6 | 0 | 0 | 0 | 113.6 | L572 E598 | L572-H602 HydrophobicContact CD2-CB 3.8Å; E598-H602 WeakPolarHBondContact O-CB 3.32Å; E598-H602 PolarHBondContact O-N 3.49Å |
| 603 | Y | 79.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -96 | -9.2 | 178.9 | -69 | -73.4 | 0 | 0 | 0 | 113.4 | L547 L599 P607 L731 D732 T735 S737 T739 | L547-Y603 HydrophobicContact CD2-CD1 3.96Å; L599-Y603 HydrophobicContact CD1-CD2 3.61Å; L599-Y603 HydrophobicContact CD1-CE2 3.79Å; L599-Y603 HydrophobicContact CG-CD2 4.35Å; L599-Y603 PolarHBondContact O-N 3.34Å; Y603-P607 WeakPolarHBondContact O-CB 3.41Å; Y603-P607 WeakPolarHBondContact O-CG 3.5Å; Y603-L731 HydrophobicContact CD1-CB 4.24Å; Y603-L731 HydrophobicContact CD1-CD2 4.45Å; Y603-L731 HydrophobicContact CD2-CB 4.25Å; Y603-L731 HydrophobicContact CD2-CD1 3.77Å; Y603-L731 HydrophobicContact CD2-CG 4.49Å; Y603-L731 HydrophobicContact CE1-CB 3.91Å; Y603-L731 HydrophobicContact CE2-CB 3.91Å; Y603-L731 HydrophobicContact CE2-CD1 4.1Å; Y603-L731 HydrophobicContact CG-CB 4.37Å; Y603-L731 HydrophobicContact CG-CD1 4.08Å; Y603-L731 HydrophobicContact CG-CD2 4.39Å; Y603-D732 PolarHBondContact OH-OD1 3.01Å; Y603-D732 VanDerWaalsContact OH-OD1 3.05Å; Y603-T735 HydrophobicContact CD1-CG2 4.28Å; Y603-T735 HydrophobicContact CE1-CG2 3.75Å; Y603-S737 PolarHBondContact OH-OG 2.96Å; Y603-T739 HydrophobicContact CE2-CG2 4.03Å; Y603-T739 WeakPolarHBondContact OH-CG2 3.44Å |
| 604 | G | 76.9 | Confident | 82.1 | Confident | 14 Ų | 14 | 27.5 Ų | 27.5 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | trans | 80.1 | 149.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E600 V606 P607 V608 | E600-G604 CarbonylContact O-C 3.49Å; E600-G604 VanDerWaalsContact O-C 3.3Å; E600-G604 WeakPolarHBondContact O-CA 3.39Å; E600-G604 PolarHBondContact O-N 3.48Å; G604-V606 VanDerWaalsContact C-N 3.34Å; G604-V606 PolarHBondContact O-N 3.28Å; G604-P607 WeakPolarHBondContact O-CD 3.16Å; G604-V608 WeakPolarHBondContact O-CG2 3.32Å; G604-V608 PolarHBondContact O-N 2.9Å | ||
| 605 | R | 80.9 | Confident | 81.1 | Confident | 157 Ų | 157 | 32.1 Ų | 32.1 | 59% | 0.592 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -56.9 | -36.7 | -169.5 | -59 | 177.4 | -178.6 | 153.8 | 2.5 | 115.2 | E600 R609 | E600-R605 HydrophobicContact CB-CG 4.3Å; E600-R605 PolarHBondContact O-N 3.39Å; R605-R609 WeakPolarHBondContact O-CB 3.47Å; R605-R609 WeakPolarHBondContact O-CD 3.24Å; R605-R609 VanDerWaalsContact O-CG 3.24Å; R605-R609 WeakPolarHBondContact O-CG 3.45Å; R605-R609 PolarHBondContact O-N 3.35Å |
| 606 | V | 80.5 | Confident | 80 | Confident | 76 Ų | 76 | 33.3 Ų | 33.3 | 46% | 0.461 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -79.3 | -51 | -174.8 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | F544 T548 G604 V608 R609 L610 | F544-V606 HydrophobicContact CZ-CB 4.14Å; T548-V606 HydrophobicContact CG2-CG1 4.31Å; G604-V606 VanDerWaalsContact C-N 3.34Å; G604-V606 PolarHBondContact O-N 3.28Å; V606-V608 PolarHBondContact O-N 3.46Å; V606-R609 PolarHBondContact O-N 3.34Å; V606-L610 HydrophobicContact CG1-CD1 3.73Å; V606-L610 HydrophobicContact CG1-CG 4.36Å; V606-L610 WeakPolarHBondContact O-CB 3.35Å; V606-L610 WeakPolarHBondContact O-CG 3.08Å; V606-L610 PolarHBondContact O-N 2.79Å |
| 607 | P | 82 | Confident | 78.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -48 | -49.2 | 169.3 | -35.2 | 39.8 | 0 | 0 | 0 | 114.6 | F544 L547 I551 Y603 G604 L610 A611 L731 | F544-P607 HydrophobicContact CD2-CG 3.99Å; F544-P607 HydrophobicContact CE2-CG 3.67Å; F544-P607 HydrophobicContact CZ-CG 4.29Å; L547-P607 HydrophobicContact CD2-CB 3.82Å; L547-P607 HydrophobicContact CD2-CG 4Å; L547-P607 HydrophobicContact CG-CB 4.16Å; L547-P607 HydrophobicContact CG-CG 4.27Å; I551-P607 HydrophobicContact CD1-CB 3.68Å; Y603-P607 WeakPolarHBondContact O-CB 3.41Å; Y603-P607 WeakPolarHBondContact O-CG 3.5Å; G604-P607 WeakPolarHBondContact O-CD 3.16Å; P607-L610 PolarHBondContact O-N 3.08Å; P607-A611 VanDerWaalsContact O-CB 3.27Å; P607-A611 WeakPolarHBondContact O-CB 3.38Å; P607-A611 PolarHBondContact O-N 3.15Å; P607-L731 HydrophobicContact CB-CD2 4.5Å |
| 608 | V | 84.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | -178 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | L599 E600 G604 V606 A611 R612 L731 | L599-V608 HydrophobicContact CD2-CG1 3.89Å; L599-V608 HydrophobicContact CD2-CG2 4.5Å; L599-V608 HydrophobicContact CG-CG1 4.22Å; L599-V608 HydrophobicContact CG-CG2 4.04Å; L599-V608 WeakPolarHBondContact O-CG2 3.48Å; E600-V608 HydrophobicContact CG-CB 4.35Å; E600-V608 HydrophobicContact CG-CG1 4.2Å; G604-V608 WeakPolarHBondContact O-CG2 3.32Å; G604-V608 PolarHBondContact O-N 2.9Å; V606-V608 PolarHBondContact O-N 3.46Å; V608-A611 PolarHBondContact O-N 3.06Å; V608-R612 PolarHBondContact O-N 3.34Å; V608-L731 HydrophobicContact CG2-CD1 4.09Å |
| 609 | R | 85.5 | Confident | 76.7 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.5 | -37 | 179.7 | -68.2 | 174.7 | -165.9 | 172.3 | 7.6 | 112.5 | E600 R605 V606 R612 A613 A689 | E600-R609 IonicContact OE1-CZ 2.81Å; E600-R609 VanDerWaalsContact OE1-CZ 3.22Å; E600-R609 IonicContact OE1-NE 3.86Å; E600-R609 PolarHBondContact OE1-NE 3.23Å; E600-R609 IonicContact OE1-NH2 3.16Å; E600-R609 PolarHBondContact OE1-NH2 2.87Å; E600-R609 IonicContact OE2-CZ 2.93Å; E600-R609 IonicContact OE2-NE 2.69Å; E600-R609 IonicContact OE2-NH2 3.06Å; E600-R609 PolarHBondContact OE2-NH2 3.08Å; R605-R609 WeakPolarHBondContact O-CB 3.47Å; R605-R609 WeakPolarHBondContact O-CD 3.24Å; R605-R609 VanDerWaalsContact O-CG 3.24Å; R605-R609 WeakPolarHBondContact O-CG 3.45Å; R605-R609 PolarHBondContact O-N 3.35Å; V606-R609 PolarHBondContact O-N 3.34Å; R609-R612 PolarHBondContact O-N 2.72Å; R609-A613 WeakPolarHBondContact O-CB 3.48Å; R609-A613 PolarHBondContact O-N 3.1Å; R609-A689 HydrophobicContact CB-CB 4.35Å |
| 610 | L | 81.2 | Confident | 75.6 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 170.5 | -74.1 | 166.5 | 0 | 0 | 0 | 111.4 | T548 I551 I552 V606 P607 R612 A613 I614 A689 | T548-L610 HydrophobicContact CG2-CD1 3.96Å; I551-L610 HydrophobicContact CG2-CB 3.62Å; I552-L610 HydrophobicContact CD1-CD1 4.43Å; I552-L610 HydrophobicContact CG1-CD1 4.25Å; V606-L610 HydrophobicContact CG1-CD1 3.73Å; V606-L610 HydrophobicContact CG1-CG 4.36Å; V606-L610 WeakPolarHBondContact O-CB 3.35Å; V606-L610 WeakPolarHBondContact O-CG 3.08Å; V606-L610 PolarHBondContact O-N 2.79Å; P607-L610 PolarHBondContact O-N 3.08Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 3.03Å; L610-A613 PolarHBondContact O-N 3.07Å; L610-I614 HydrophobicContact CB-CD1 4.29Å; L610-I614 HydrophobicContact CD2-CD1 4.07Å; L610-I614 VanDerWaalsContact O-CB 3.28Å; L610-I614 WeakPolarHBondContact O-CB 3.22Å; L610-I614 VanDerWaalsContact O-CG1 3.31Å; L610-I614 WeakPolarHBondContact O-CG1 3.29Å; L610-I614 PolarHBondContact O-N 2.79Å; L610-A689 HydrophobicContact CD2-CB 3.83Å; L610-A689 HydrophobicContact CG-CB 4.07Å |
| 611 | A | 81.5 | Confident | 74.4 | Confident | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -28.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P607 V608 R730 L731 | P607-A611 VanDerWaalsContact O-CB 3.27Å; P607-A611 WeakPolarHBondContact O-CB 3.38Å; P607-A611 PolarHBondContact O-N 3.15Å; V608-A611 PolarHBondContact O-N 3.06Å; A611-R730 PolarHBondContact O-NH1 3.11Å; A611-L731 HydrophobicContact CB-CD2 3.94Å; A611-L731 HydrophobicContact CB-CG 4.14Å |
| 612 | R | 83.6 | Confident | 73.4 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.2 | -45.5 | 169.9 | -169 | 173.4 | 161 | 136 | 0.2 | 111.9 | Y596 V608 R609 L610 H615 V692 E720 L723 T727 | Y596-R612 PolarHBondContact OH-NH1 3Å; V608-R612 PolarHBondContact O-N 3.34Å; R609-R612 PolarHBondContact O-N 2.72Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 3.03Å; R612-H615 PolarHBondContact O-NE2 3.37Å; R612-V692 HydrophobicContact CB-CG1 4.21Å; R612-V692 HydrophobicContact CG-CG1 3.74Å; R612-E720 IonicContact CZ-OE1 2.86Å; R612-E720 IonicContact CZ-OE2 3.61Å; R612-E720 VanDerWaalsContact CZ-OE2 3.26Å; R612-E720 IonicContact NH1-OE1 3.79Å; R612-E720 IonicContact NH1-OE2 2.95Å; R612-E720 PolarHBondContact NH1-OE2 3.34Å; R612-E720 IonicContact NH2-OE1 2.69Å; R612-E720 PolarHBondContact NH2-OE1 2.88Å; R612-E720 IonicContact NH2-OE2 2.76Å; R612-E720 PolarHBondContact NH2-OE2 3.19Å; R612-L723 HydrophobicContact CG-CD2 4.3Å; R612-L723 VanDerWaalsContact CZ-CD2 3.41Å; R612-T727 HydrophobicContact CB-CG2 3.78Å; R612-T727 HydrophobicContact CG-CG2 4.06Å |
| 613 | A | 78 | Confident | 72.5 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.5 | -25.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R609 L610 H615 R688 V692 | R609-A613 WeakPolarHBondContact O-CB 3.48Å; R609-A613 PolarHBondContact O-N 3.1Å; L610-A613 PolarHBondContact O-N 3.07Å; A613-H615 PolarHBondContact O-CD2 2.97Å; A613-R688 HydrophobicContact CB-CG 4.19Å; A613-R688 PolarHBondContact O-NE 3.05Å; A613-R688 PolarHBondContact O-NH2 3.36Å; A613-V692 HydrophobicContact CB-CB 4.19Å; A613-V692 HydrophobicContact CB-CG2 4.04Å |
| 614 | I | 72.4 | Confident | 71.7 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -100.9 | 95.5 | -179.7 | -58.7 | 166.5 | 0 | 0 | 0 | 109.2 | L610 T616 L685 R730 | L610-I614 HydrophobicContact CB-CD1 4.29Å; L610-I614 HydrophobicContact CD2-CD1 4.07Å; L610-I614 VanDerWaalsContact O-CB 3.28Å; L610-I614 WeakPolarHBondContact O-CB 3.22Å; L610-I614 VanDerWaalsContact O-CG1 3.31Å; L610-I614 WeakPolarHBondContact O-CG1 3.29Å; L610-I614 PolarHBondContact O-N 2.79Å; I614-T616 HydrophobicContact CG2-CG2 3.95Å; I614-T616 PolarHBondContact O-N 3.48Å; I614-L685 HydrophobicContact CD1-CD2 4.41Å; I614-R730 PolarHBondContact O-NH1 2.85Å |
| 615 | H | 66.4 | Low | 71.2 | Confident | 125 Ų | 125 | 70.2 Ų | 70.2 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | trans | -78.5 | 60.7 | -177.6 | -63.4 | -111.4 | 0 | 0 | 0 | 112.5 | R612 A613 | R612-H615 PolarHBondContact O-NE2 3.37Å; A613-H615 PolarHBondContact O-CD2 2.97Å | ||
| 616 | T | 64.3 | Low | 70.5 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 132.2 | 167.3 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | I614 R730 | I614-T616 HydrophobicContact CG2-CG2 3.95Å; I614-T616 PolarHBondContact O-N 3.48Å; T616-R730 PolarHBondContact O-NE 3.38Å; T616-R730 PolarHBondContact O-NH2 3.11Å |
| 617 | S | 62.7 | Low | 69.9 | Low | 101 Ų | 101 | 63 Ų | 63 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 159.1 | 163.7 | 45.6 | 0 | 0 | 0 | 0 | 110.9 | G619 | S617-G619 PolarHBondContact O-N 3.34Š|
| 618 | L | 61.9 | Low | 68.8 | Low | 89 Ų | 89 | 74.3 Ų | 74.3 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 129.5 | 171.6 | -95.5 | 68.5 | 0 | 0 | 0 | 109.5 | ||
| 619 | G | 61.5 | Low | 67.6 | Low | 22 Ų | 22 | 81.1 Ų | 81.1 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 140.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P556 S558 S617 H621 | P556-G619 PolarHBondContact O-N 3.35Å; S558-G619 WeakPolarHBondContact CB-O 3.49Å; S558-G619 PolarHBondContact N-O 3.35Å; S558-G619 PolarHBondContact OG-O 3.31Å; S617-G619 PolarHBondContact O-N 3.34Å; G619-H621 PolarHBondContact O-N 2.96Å |
| 620 | K | 61.3 | Low | 66.4 | Low | 201 Ų | 201 | 80.4 Ų | 80.4 | 87% | 0.874 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -65.5 | 10.1 | 175.2 | -63.9 | -173.2 | 176.6 | -176.2 | 0 | 114.7 | ||
| 621 | H | 61.5 | Low | 65.4 | Low | 97 Ų | 97 | 80 Ų | 80 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -123 | 132.1 | -171.6 | -60.5 | -57.3 | 0 | 0 | 0 | 111.7 | P557 S558 G619 H623 K625 | P557-H621 WeakPolarHBondContact CA-O 3.31Å; S558-H621 PolarHBondContact N-O 2.95Å; S558-H621 PolarHBondContact OG-N 3.04Å; S558-H621 PolarHBondContact OG-O 3.42Å; G619-H621 PolarHBondContact O-N 2.96Å; H621-H623 PolarHBondContact O-N 2.93Å; H621-K625 VanDerWaalsContact CD2-CE 3.43Å; H621-K625 WeakPolarHBondContact CD2-CE 3.38Å; H621-K625 PolarHBondContact CD2-NZ 3.35Å; H621-K625 VanDerWaalsContact CD2-NZ 3.32Å; H621-K625 PolarHBondContact CE1-NZ 3.36Å; H621-K625 PolarHBondContact NE2-NZ 3.13Å |
| 622 | R | 56.8 | Low | 64.4 | Low | 143 Ų | 143 | 83.2 Ų | 83.2 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -60.1 | -24.5 | 176.6 | -99.4 | 176.9 | 156.9 | -172.4 | -9.9 | 114.7 | P557 S558 D563 | P557-R622 WeakPolarHBondContact CB-O 3.33Å; S558-R622 PolarHBondContact OG-N 3.01Å; D563-R622 IonicContact OD1-CZ 3.55Å; D563-R622 IonicContact OD1-NE 3.11Å; D563-R622 IonicContact OD1-NH2 2.65Å; D563-R622 PolarHBondContact OD1-NH2 3.17Å; D563-R622 IonicContact OD2-CZ 2.68Å; D563-R622 IonicContact OD2-NE 2.71Å; D563-R622 PolarHBondContact OD2-NE 2.89Å; D563-R622 IonicContact OD2-NH2 2.66Å; D563-R622 PolarHBondContact OD2-NH2 3.31Å |
| 623 | H | 59.4 | Low | 63.4 | Low | 144 Ų | 144 | 86 Ų | 86 | 67% | 0.667 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -105 | 136.7 | 179 | -62.7 | -93.3 | 0 | 0 | 0 | 110.6 | H621 K625 | H621-H623 PolarHBondContact O-N 2.93Å; H623-K625 PolarHBondContact O-N 3.1Å; H623-K625 VanDerWaalsContact O-N 3.1Å |
| 624 | P | 62.9 | Low | 62.7 | Low | 64 Ų | 64 | 86.3 Ų | 86.3 | 42% | 0.416 | 43% | 0.434 | S | S | . | . | trans | -66.6 | 110.3 | 179.5 | 28.1 | -34.3 | 0 | 0 | 0 | 110 | F554 | F554-P624 HydrophobicContact CB-CB 4.01Å; F554-P624 HydrophobicContact CD1-CB 3.87Å; F554-P624 HydrophobicContact CD1-CG 4.33Å; F554-P624 WeakPolarHBondContact CD1-O 3.37Å; F554-P624 HydrophobicContact CG-CB 4.25Å | ||
| 625 | K | 66.2 | Low | 62.5 | Low | 117 Ų | 117 | 88.1 Ų | 88.1 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | trans | -82.7 | 143 | 172.8 | -68.3 | -171.1 | 177.4 | 176.7 | 0 | 110.3 | N555 H621 H623 | N555-K625 PolarHBondContact N-O 3.16Å; H621-K625 VanDerWaalsContact CD2-CE 3.43Å; H621-K625 WeakPolarHBondContact CD2-CE 3.38Å; H621-K625 PolarHBondContact CD2-NZ 3.35Å; H621-K625 VanDerWaalsContact CD2-NZ 3.32Å; H621-K625 PolarHBondContact CE1-NZ 3.36Å; H621-K625 PolarHBondContact NE2-NZ 3.13Å; H623-K625 PolarHBondContact O-N 3.1Å; H623-K625 VanDerWaalsContact O-N 3.1Å | ||
| 626 | L | 65.6 | Low | 62.6 | Low | 57 Ų | 57 | 87.9 Ų | 87.9 | 30% | 0.298 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -57.6 | 144.1 | 171.5 | -114.7 | 81 | 0 | 0 | 0 | 110.8 | F554 R628 V632 | F554-L626 HydrophobicContact CD1-CD1 3.93Å; F554-L626 HydrophobicContact CE1-CD1 3.43Å; F554-L626 VanDerWaalsContact CE1-CD1 3.43Å; F554-L626 HydrophobicContact CZ-CD1 3.76Å; L626-R628 PolarHBondContact O-N 3.45Å; L626-V632 HydrophobicContact CB-CG2 4.27Å; L626-V632 HydrophobicContact CD2-CB 4.32Å; L626-V632 HydrophobicContact CD2-CG2 3.72Å |
| 627 | R | 67.8 | Low | 62.7 | Low | 25 Ų | 25 | 88.6 Ų | 88.6 | 9% | 0.094 | 45% | 0.45 | C | S | . | . | trans | -72.5 | 111.9 | 176.2 | -77.8 | 177.6 | 179.1 | 159.2 | 2.4 | 111.2 | I551 I552 F553 F554 N555 V629 C630 G631 Y734 | I551-R627 PolarHBondContact O-NH1 3.09Å; I551-R627 PolarHBondContact O-NH2 3.16Å; I552-R627 PolarHBondContact O-NH1 3.18Å; F553-R627 PolarHBondContact O-N 3.11Å; F554-R627 PolarHBondContact O-NE 3.29Å; F554-R627 PolarHBondContact O-NH2 3.32Å; N555-R627 WeakPolarHBondContact OD1-CG 3.43Å; N555-R627 PolarHBondContact OD1-NE 2.78Å; R627-V629 PolarHBondContact O-N 3.34Å; R627-V629 VanDerWaalsContact O-N 3.1Å; R627-C630 PolarHBondContact O-N 2.87Å; R627-G631 WeakPolarHBondContact O-CA 3.27Å; R627-G631 PolarHBondContact O-N 2.66Å; R627-Y734 PolarHBondContact NH2-OH 3.36Å | ||
| 628 | R | 59.7 | Low | 63 | Low | 237 Ų | 237 | 86.8 Ų | 86.8 | 89% | 0.894 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -32.4 | 176.1 | -67.6 | -177.1 | 177.7 | 173.9 | -3.3 | 114.1 | L626 | L626-R628 PolarHBondContact O-N 3.45Š|
| 629 | V | 59.7 | Low | 63.4 | Low | 145 Ų | 145 | 84.9 Ų | 84.9 | 88% | 0.879 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -10.6 | -171.7 | -172.5 | 0 | 0 | 0 | 0 | 113.3 | R627 | R627-V629 PolarHBondContact O-N 3.34Å; R627-V629 VanDerWaalsContact O-N 3.1Å |
| 630 | C | 60.5 | Low | 63.9 | Low | 40 Ų | 40 | 88.2 Ų | 88.2 | 27% | 0.27 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.1 | -29.5 | -177 | -159.8 | 0 | 0 | 0 | 0 | 114.8 | R627 L634 | R627-C630 PolarHBondContact O-N 2.87Å; C630-L634 WeakPolarHBondContact O-CB 3.35Å; C630-L634 PolarHBondContact O-N 3.02Å |
| 631 | G | 60.6 | Low | 64.3 | Low | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73.8 | -42.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R627 L635 | R627-G631 WeakPolarHBondContact O-CA 3.27Å; R627-G631 PolarHBondContact O-N 2.66Å; G631-L635 WeakPolarHBondContact O-CB 3.3Å; G631-L635 PolarHBondContact O-N 2.96Å |
| 632 | V | 59.7 | Low | 64.7 | Low | 70 Ų | 70 | 78.2 Ų | 78.2 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.7 | -49.6 | -175.8 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | L626 L634 L635 L636 | L626-V632 HydrophobicContact CB-CG2 4.27Å; L626-V632 HydrophobicContact CD2-CB 4.32Å; L626-V632 HydrophobicContact CD2-CG2 3.72Å; V632-L634 PolarHBondContact O-N 2.87Å; V632-L635 PolarHBondContact O-N 3.23Å; V632-L636 HydrophobicContact CG1-CD1 4.34Å; V632-L636 PolarHBondContact O-N 3.05Å; V632-L636 VanDerWaalsContact O-N 3.17Å |
| 633 | P | 61.9 | Low | 65.5 | Low | 78 Ų | 78 | 76 Ų | 76 | 51% | 0.506 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62 | -47.5 | 177.9 | -20.5 | 33.6 | 0 | 0 | 0 | 110.9 | L635 L636 V637 | P633-L635 VanDerWaalsContact C-N 3.31Å; P633-L635 PolarHBondContact O-N 3.44Å; P633-L636 PolarHBondContact O-N 3.42Å; P633-V637 WeakPolarHBondContact O-CB 3.35Å; P633-V637 VanDerWaalsContact O-CG2 3.23Å; P633-V637 WeakPolarHBondContact O-CG2 3.42Å; P633-V637 PolarHBondContact O-N 2.83Å |
| 634 | L | 64.9 | Low | 66.2 | Low | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64 | -32.6 | -176.5 | -170 | 66.5 | 0 | 0 | 0 | 112.9 | I552 F553 C630 V632 V637 V638 P681 M682 | I552-L634 HydrophobicContact CG2-CD2 3.89Å; F553-L634 HydrophobicContact CD1-CD2 4.39Å; F553-L634 HydrophobicContact CE1-CB 3.76Å; F553-L634 HydrophobicContact CE1-CD2 3.63Å; F553-L634 HydrophobicContact CE1-CG 3.56Å; F553-L634 HydrophobicContact CZ-CD2 3.71Å; F553-L634 HydrophobicContact CZ-CG 3.81Å; C630-L634 WeakPolarHBondContact O-CB 3.35Å; C630-L634 PolarHBondContact O-N 3.02Å; V632-L634 PolarHBondContact O-N 2.87Å; L634-V637 HydrophobicContact CD1-CG1 4.47Å; L634-V637 WeakPolarHBondContact O-CB 3.28Å; L634-V638 VanDerWaalsContact O-CG2 3.32Å; L634-V638 WeakPolarHBondContact O-CG2 3.42Å; L634-V638 PolarHBondContact O-N 3.24Å; L634-P681 HydrophobicContact CD1-CB 4.47Å; L634-M682 HydrophobicContact CD1-CG 4.1Å; L634-M682 HydrophobicContact CD1-SD 4.36Å; L634-M682 HydrophobicContact CD2-CE 4.33Å; L634-M682 HydrophobicContact CD2-SD 3.9Å |
| 635 | L | 67.6 | Low | 66.5 | Low | 64 Ų | 64 | 74.9 Ų | 74.9 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -78.8 | -40.6 | 179.7 | -171.1 | 136 | 0 | 0 | 0 | 112.1 | F549 F553 G631 V632 P633 V637 V638 A639 | F549-L635 HydrophobicContact CE1-CD1 4.49Å; F549-L635 HydrophobicContact CZ-CD1 4.06Å; F553-L635 HydrophobicContact CD1-CB 3.94Å; F553-L635 HydrophobicContact CD1-CD1 4.17Å; F553-L635 HydrophobicContact CE1-CB 3.91Å; G631-L635 WeakPolarHBondContact O-CB 3.3Å; G631-L635 PolarHBondContact O-N 2.96Å; V632-L635 PolarHBondContact O-N 3.23Å; P633-L635 VanDerWaalsContact C-N 3.31Å; P633-L635 PolarHBondContact O-N 3.44Å; L635-V637 VanDerWaalsContact C-N 3.27Å; L635-V637 PolarHBondContact O-N 2.88Å; L635-V638 PolarHBondContact O-N 3.35Å; L635-A639 WeakPolarHBondContact O-CB 3.17Å; L635-A639 PolarHBondContact O-N 3.12Å |
| 636 | L | 68.4 | Low | 66.7 | Low | 119 Ų | 119 | 74.5 Ų | 74.5 | 62% | 0.623 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | 168.6 | -89.4 | 165.5 | 0 | 0 | 0 | 111.2 | V632 P633 A639 L640 | V632-L636 HydrophobicContact CG1-CD1 4.34Å; V632-L636 PolarHBondContact O-N 3.05Å; V632-L636 VanDerWaalsContact O-N 3.17Å; P633-L636 PolarHBondContact O-N 3.42Å; L636-A639 PolarHBondContact O-N 3.03Å; L636-L640 VanDerWaalsContact O-CB 3.27Å; L636-L640 WeakPolarHBondContact O-CB 3.31Å; L636-L640 PolarHBondContact O-N 3.05Å |
| 637 | V | 66.5 | Low | 67 | Low | 40 Ų | 40 | 77.2 Ų | 77.2 | 24% | 0.242 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.7 | -53.1 | 174.4 | 147.1 | 0 | 0 | 0 | 0 | 112.1 | P633 L634 L635 A639 L640 L641 T678 | P633-V637 WeakPolarHBondContact O-CB 3.35Å; P633-V637 VanDerWaalsContact O-CG2 3.23Å; P633-V637 WeakPolarHBondContact O-CG2 3.42Å; P633-V637 PolarHBondContact O-N 2.83Å; L634-V637 HydrophobicContact CD1-CG1 4.47Å; L634-V637 WeakPolarHBondContact O-CB 3.28Å; L635-V637 VanDerWaalsContact C-N 3.27Å; L635-V637 PolarHBondContact O-N 2.88Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.46Å; V637-L640 PolarHBondContact O-N 3.35Å; V637-L641 WeakPolarHBondContact O-CG 3.27Å; V637-L641 PolarHBondContact O-N 3.27Å; V637-T678 HydrophobicContact CB-CG2 4.01Å; V637-T678 HydrophobicContact CG1-CG2 3.31Å; V637-T678 HydrophobicContact CG2-CG2 3.73Å |
| 638 | V | 68.9 | Low | 66.9 | Low | 63 Ų | 63 | 77.7 Ų | 77.7 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | -179.5 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | L634 L635 A642 | L634-V638 VanDerWaalsContact O-CG2 3.32Å; L634-V638 WeakPolarHBondContact O-CG2 3.42Å; L634-V638 PolarHBondContact O-N 3.24Å; L635-V638 PolarHBondContact O-N 3.35Å; V638-A642 WeakPolarHBondContact O-CB 3.45Å; V638-A642 PolarHBondContact O-N 3.16Å |
| 639 | A | 70.9 | Confident | 67.4 | Low | 50 Ų | 50 | 70.5 Ų | 70.5 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L635 L636 V637 A642 V643 | L635-A639 WeakPolarHBondContact O-CB 3.17Å; L635-A639 PolarHBondContact O-N 3.12Å; L636-A639 PolarHBondContact O-N 3.03Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.46Å; A639-A642 PolarHBondContact O-N 2.77Å; A639-V643 WeakPolarHBondContact O-CG2 3.43Å; A639-V643 PolarHBondContact O-N 3.27Å |
| 640 | L | 70.7 | Confident | 67.8 | Low | 92 Ų | 92 | 69.9 Ų | 69.9 | 48% | 0.482 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 178.2 | -171.3 | 151.6 | 0 | 0 | 0 | 111.4 | L636 V637 A642 V643 L644 V674 | L636-L640 VanDerWaalsContact O-CB 3.27Å; L636-L640 WeakPolarHBondContact O-CB 3.31Å; L636-L640 PolarHBondContact O-N 3.05Å; V637-L640 PolarHBondContact O-N 3.35Å; L640-A642 PolarHBondContact O-N 2.82Å; L640-V643 PolarHBondContact O-N 3.33Å; L640-L644 HydrophobicContact CD2-CD1 3.58Å; L640-L644 HydrophobicContact CD2-CG 4.11Å; L640-L644 WeakPolarHBondContact O-CB 3.23Å; L640-L644 WeakPolarHBondContact O-CG 3.34Å; L640-L644 PolarHBondContact O-N 2.99Å; L640-V674 HydrophobicContact CD2-CG1 3.9Å |
| 641 | L | 70.1 | Confident | 68.1 | Low | 40 Ų | 40 | 70.3 Ų | 70.3 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 170.5 | -71.3 | -179 | 0 | 0 | 0 | 112.3 | V637 L644 F645 V674 V675 T678 | V637-L641 WeakPolarHBondContact O-CG 3.27Å; V637-L641 PolarHBondContact O-N 3.27Å; L641-L644 PolarHBondContact O-N 2.97Å; L641-F645 VanDerWaalsContact O-CB 3.3Å; L641-F645 WeakPolarHBondContact O-CB 3.43Å; L641-F645 PolarHBondContact O-N 2.9Å; L641-V674 HydrophobicContact CD2-CG1 3.99Å; L641-V675 HydrophobicContact CD2-CB 4.49Å; L641-V675 HydrophobicContact CD2-CG2 3.74Å; L641-T678 HydrophobicContact CD2-CG2 4.47Å; L641-T678 HydrophobicContact CG-CG2 4.45Å |
| 642 | A | 69.8 | Low | 68.4 | Low | 47 Ų | 47 | 73.5 Ų | 73.5 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | V638 A639 L640 F645 I646 | V638-A642 WeakPolarHBondContact O-CB 3.45Å; V638-A642 PolarHBondContact O-N 3.16Å; A639-A642 PolarHBondContact O-N 2.77Å; L640-A642 PolarHBondContact O-N 2.82Å; A642-F645 PolarHBondContact O-N 3.04Å; A642-I646 WeakPolarHBondContact O-CB 3.48Å; A642-I646 WeakPolarHBondContact O-CD1 3.16Å; A642-I646 VanDerWaalsContact O-CG1 3.26Å; A642-I646 WeakPolarHBondContact O-CG1 3.13Å; A642-I646 PolarHBondContact O-N 3.46Å |
| 643 | V | 74.7 | Confident | 68.8 | Low | 97 Ų | 97 | 76.1 Ų | 76.1 | 59% | 0.588 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | A639 L640 F645 I646 F647 | A639-V643 WeakPolarHBondContact O-CG2 3.43Å; A639-V643 PolarHBondContact O-N 3.27Å; L640-V643 PolarHBondContact O-N 3.33Å; V643-F645 VanDerWaalsContact C-N 3.32Å; V643-F645 PolarHBondContact O-N 2.84Å; V643-I646 PolarHBondContact O-N 3.13Å; V643-F647 VanDerWaalsContact O-CB 3.28Å; V643-F647 WeakPolarHBondContact O-CB 3.4Å; V643-F647 PolarHBondContact O-N 3.41Å |
| 644 | L | 72.6 | Confident | 68.9 | Low | 49 Ų | 49 | 77.3 Ų | 77.3 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -34.9 | 176.6 | -69.5 | 179.7 | 0 | 0 | 0 | 112.4 | L640 L641 A648 L671 V674 | L640-L644 HydrophobicContact CD2-CD1 3.58Å; L640-L644 HydrophobicContact CD2-CG 4.11Å; L640-L644 WeakPolarHBondContact O-CB 3.23Å; L640-L644 WeakPolarHBondContact O-CG 3.34Å; L640-L644 PolarHBondContact O-N 2.99Å; L641-L644 PolarHBondContact O-N 2.97Å; L644-A648 WeakPolarHBondContact O-CB 3.48Å; L644-A648 PolarHBondContact O-N 3.37Å; L644-L671 HydrophobicContact CB-CD2 3.78Å; L644-L671 HydrophobicContact CB-CG 4.24Å; L644-L671 HydrophobicContact CD1-CD2 4.28Å; L644-L671 HydrophobicContact CD1-CG 4.41Å; L644-V674 HydrophobicContact CD1-CG1 4.41Å |
| 645 | F | 70.2 | Confident | 68.9 | Low | 135 Ų | 135 | 81.8 Ų | 81.8 | 59% | 0.592 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.9 | -43.7 | 175.5 | -178.5 | -100.7 | 0 | 0 | 0 | 112.3 | L641 A642 V643 F647 A648 L649 | L641-F645 VanDerWaalsContact O-CB 3.3Å; L641-F645 WeakPolarHBondContact O-CB 3.43Å; L641-F645 PolarHBondContact O-N 2.9Å; A642-F645 PolarHBondContact O-N 3.04Å; V643-F645 VanDerWaalsContact C-N 3.32Å; V643-F645 PolarHBondContact O-N 2.84Å; F645-F647 VanDerWaalsContact C-N 3.34Å; F645-A648 PolarHBondContact O-N 2.95Å; F645-L649 HydrophobicContact CD1-CD1 4.12Å; F645-L649 HydrophobicContact CE1-CD1 3.52Å; F645-L649 HydrophobicContact CZ-CD1 3.88Å; F645-L649 PolarHBondContact O-N 2.7Å |
| 646 | I | 70.3 | Confident | 68.6 | Low | 110 Ų | 110 | 89.2 Ų | 89.2 | 56% | 0.564 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 174.2 | -68.6 | 164 | 0 | 0 | 0 | 110.4 | A642 V643 L649 Y650 | A642-I646 WeakPolarHBondContact O-CB 3.48Å; A642-I646 WeakPolarHBondContact O-CD1 3.16Å; A642-I646 VanDerWaalsContact O-CG1 3.26Å; A642-I646 WeakPolarHBondContact O-CG1 3.13Å; A642-I646 PolarHBondContact O-N 3.46Å; V643-I646 PolarHBondContact O-N 3.13Å; I646-L649 PolarHBondContact O-N 3.46Å; I646-Y650 WeakPolarHBondContact O-CB 3.49Å; I646-Y650 PolarHBondContact O-N 2.95Å |
| 647 | F | 70.7 | Confident | 68 | Low | 113 Ų | 113 | 86.8 Ų | 86.8 | 50% | 0.496 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.4 | -173.3 | -110.6 | 0 | 0 | 0 | 112.2 | V643 F645 Y650 L651 | V643-F647 VanDerWaalsContact O-CB 3.28Å; V643-F647 WeakPolarHBondContact O-CB 3.4Å; V643-F647 PolarHBondContact O-N 3.41Å; F645-F647 VanDerWaalsContact C-N 3.34Å; F647-Y650 PolarHBondContact O-N 3.07Å; F647-L651 HydrophobicContact CD1-CD1 3.93Å; F647-L651 HydrophobicContact CD1-CG 4.45Å; F647-L651 HydrophobicContact CE1-CD1 3.52Å; F647-L651 HydrophobicContact CE1-CG 4.17Å; F647-L651 HydrophobicContact CZ-CD1 3.94Å; F647-L651 HydrophobicContact CZ-CD2 4.33Å; F647-L651 HydrophobicContact CZ-CG 4.19Å; F647-L651 WeakPolarHBondContact O-CB 3.49Å; F647-L651 WeakPolarHBondContact O-CG 3.19Å; F647-L651 PolarHBondContact O-N 2.92Å |
| 648 | A | 67 | Low | 67.3 | Low | 35 Ų | 35 | 91.3 Ų | 91.3 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L644 F645 C652 L671 | L644-A648 WeakPolarHBondContact O-CB 3.48Å; L644-A648 PolarHBondContact O-N 3.37Å; F645-A648 PolarHBondContact O-N 2.95Å; A648-C652 VanDerWaalsContact O-CB 3.25Å; A648-C652 WeakPolarHBondContact O-CB 3.36Å; A648-C652 PolarHBondContact O-N 2.79Å; A648-L671 HydrophobicContact CB-CD1 4.07Å |
| 649 | L | 69.3 | Low | 66.3 | Low | 87 Ų | 87 | 97 Ų | 97 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 172.7 | -96.5 | 167.1 | 0 | 0 | 0 | 112.1 | F645 I646 C652 L653 | F645-L649 HydrophobicContact CD1-CD1 4.12Å; F645-L649 HydrophobicContact CE1-CD1 3.52Å; F645-L649 HydrophobicContact CZ-CD1 3.88Å; F645-L649 PolarHBondContact O-N 2.7Å; I646-L649 PolarHBondContact O-N 3.46Å; L649-C652 PolarHBondContact O-N 2.88Å; L649-L653 WeakPolarHBondContact O-CG 3.3Å; L649-L653 PolarHBondContact O-N 3.44Å |
| 650 | Y | 67.7 | Low | 65.3 | Low | 132 Ų | 132 | 99.6 Ų | 99.6 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 178.1 | 179.3 | -108.4 | 0 | 0 | 0 | 112.1 | I646 F647 L653 L654 | I646-Y650 WeakPolarHBondContact O-CB 3.49Å; I646-Y650 PolarHBondContact O-N 2.95Å; F647-Y650 PolarHBondContact O-N 3.07Å; Y650-L653 PolarHBondContact O-N 2.91Å; Y650-L654 HydrophobicContact CD1-CD1 3.99Å; Y650-L654 HydrophobicContact CE1-CD1 3.4Å; Y650-L654 VanDerWaalsContact CE1-CD1 3.4Å; Y650-L654 HydrophobicContact CE1-CG 4.22Å; Y650-L654 HydrophobicContact CE2-CD1 4.24Å; Y650-L654 HydrophobicContact CE2-CG 4.27Å; Y650-L654 WeakPolarHBondContact O-CB 3.38Å; Y650-L654 WeakPolarHBondContact O-CG 3.42Å; Y650-L654 PolarHBondContact O-N 3.28Å |
| 651 | L | 68.6 | Low | 64.9 | Low | 48 Ų | 48 | 99 Ų | 99 | 25% | 0.251 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 172.4 | -72.9 | 178.1 | 0 | 0 | 0 | 112 | F647 L653 L654 Y655 F664 | F647-L651 HydrophobicContact CD1-CD1 3.93Å; F647-L651 HydrophobicContact CD1-CG 4.45Å; F647-L651 HydrophobicContact CE1-CD1 3.52Å; F647-L651 HydrophobicContact CE1-CG 4.17Å; F647-L651 HydrophobicContact CZ-CD1 3.94Å; F647-L651 HydrophobicContact CZ-CD2 4.33Å; F647-L651 HydrophobicContact CZ-CG 4.19Å; F647-L651 WeakPolarHBondContact O-CB 3.49Å; F647-L651 WeakPolarHBondContact O-CG 3.19Å; F647-L651 PolarHBondContact O-N 2.92Å; L651-L653 VanDerWaalsContact C-N 3.28Å; L651-L653 PolarHBondContact O-N 2.94Å; L651-L654 PolarHBondContact O-N 3.35Å; L651-Y655 WeakPolarHBondContact O-CB 3.39Å; L651-Y655 PolarHBondContact O-N 3.33Å; L651-F664 HydrophobicContact CB-CE2 4.47Å |
| 652 | C | 66.8 | Low | 64.7 | Low | 67 Ų | 67 | 99.7 Ų | 99.7 | 45% | 0.453 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -29.8 | 178.6 | -165.7 | 0 | 0 | 0 | 0 | 113 | A648 L649 | A648-C652 VanDerWaalsContact O-CB 3.25Å; A648-C652 WeakPolarHBondContact O-CB 3.36Å; A648-C652 PolarHBondContact O-N 2.79Å; L649-C652 PolarHBondContact O-N 2.88Å |
| 653 | L | 67.7 | Low | 64.4 | Low | 125 Ų | 125 | 102.2 Ų | 102.2 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -80.1 | -37.3 | 173.5 | -72.1 | 168.1 | 0 | 0 | 0 | 112.6 | L649 Y650 L651 W656 | L649-L653 WeakPolarHBondContact O-CG 3.3Å; L649-L653 PolarHBondContact O-N 3.44Å; Y650-L653 PolarHBondContact O-N 2.91Å; L651-L653 VanDerWaalsContact C-N 3.28Å; L651-L653 PolarHBondContact O-N 2.94Å; L653-W656 WeakPolarHBondContact O-CB 3.49Å |
| 654 | L | 64.5 | Low | 63.9 | Low | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70 | -37 | 176.7 | -78.3 | -175.8 | 0 | 0 | 0 | 113.1 | Y650 L651 W656 | Y650-L654 HydrophobicContact CD1-CD1 3.99Å; Y650-L654 HydrophobicContact CE1-CD1 3.4Å; Y650-L654 VanDerWaalsContact CE1-CD1 3.4Å; Y650-L654 HydrophobicContact CE1-CG 4.22Å; Y650-L654 HydrophobicContact CE2-CD1 4.24Å; Y650-L654 HydrophobicContact CE2-CG 4.27Å; Y650-L654 WeakPolarHBondContact O-CB 3.38Å; Y650-L654 WeakPolarHBondContact O-CG 3.42Å; Y650-L654 PolarHBondContact O-N 3.28Å; L651-L654 PolarHBondContact O-N 3.35Å; L654-W656 VanDerWaalsContact C-N 3.27Å; L654-W656 PolarHBondContact O-N 2.94Å |
| 655 | Y | 64.9 | Low | 63.5 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 39% | 0.392 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91 | 18.2 | -177.4 | -78.7 | -163.2 | 0 | 0 | 0 | 113 | L651 G657 F660 F664 | L651-Y655 WeakPolarHBondContact O-CB 3.39Å; L651-Y655 PolarHBondContact O-N 3.33Å; Y655-G657 PolarHBondContact O-N 3.45Å; Y655-F660 HydrophobicContact CD1-CB 3.8Å; Y655-F660 HydrophobicContact CD1-CD1 4.32Å; Y655-F660 AromaticContact CD1-CD2 3.41Å; Y655-F660 HydrophobicContact CD1-CD2 3.41Å; Y655-F660 VanDerWaalsContact CD1-CD2 3.41Å; Y655-F660 HydrophobicContact CD1-CE2 4.05Å; Y655-F660 AromaticContact CD1-CG 3.58Å; Y655-F660 HydrophobicContact CD1-CG 3.58Å; Y655-F660 HydrophobicContact CD2-CD2 4.21Å; Y655-F660 HydrophobicContact CD2-CE2 4.02Å; Y655-F660 HydrophobicContact CE1-CB 3.65Å; Y655-F660 AromaticContact CE1-CD1 3.52Å; Y655-F660 HydrophobicContact CE1-CD1 3.52Å; Y655-F660 AromaticContact CE1-CD2 3.46Å; Y655-F660 HydrophobicContact CE1-CD2 3.46Å; Y655-F660 VanDerWaalsContact CE1-CD2 3.46Å; Y655-F660 HydrophobicContact CE1-CE1 4.01Å; Y655-F660 AromaticContact CE1-CE2 3.95Å; Y655-F660 HydrophobicContact CE1-CE2 3.95Å; Y655-F660 AromaticContact CE1-CG 3.23Å; Y655-F660 HydrophobicContact CE1-CG 3.23Å; Y655-F660 HydrophobicContact CE1-CZ 4.2Å; Y655-F660 HydrophobicContact CE2-CD2 4.24Å; Y655-F660 HydrophobicContact CE2-CE1 4.35Å; Y655-F660 AromaticContact CE2-CE2 3.91Å; Y655-F660 HydrophobicContact CE2-CE2 3.91Å; Y655-F660 AromaticContact CE2-CZ 3.97Å; Y655-F660 HydrophobicContact CE2-CZ 3.97Å; Y655-F660 AromaticContact CG-CD2 3.8Å; Y655-F660 HydrophobicContact CG-CD2 3.8Å; Y655-F660 HydrophobicContact CG-CE2 4.08Å; Y655-F660 HydrophobicContact CG-CG 4.41Å; Y655-F660 AromaticContact CZ-CD1 3.71Å; Y655-F660 AromaticContact CZ-CD2 3.87Å; Y655-F660 AromaticContact CZ-CE1 3.69Å; Y655-F660 AromaticContact CZ-CE2 3.85Å; Y655-F660 AromaticContact CZ-CG 3.81Å; Y655-F660 AromaticContact CZ-CZ 3.77Å; Y655-F660 WeakPolarHBondContact OH-CE1 3.48Å; Y655-F664 HydrophobicContact CD1-CD2 4.44Å |
| 656 | W | 59.7 | Low | 63.5 | Low | 221 Ų | 221 | 106.6 Ų | 106.6 | 84% | 0.837 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -77.9 | 29.1 | -176.5 | -138.3 | 55.8 | 0 | 0 | 0 | 114.2 | L653 L654 | L653-W656 WeakPolarHBondContact O-CB 3.49Å; L654-W656 VanDerWaalsContact C-N 3.27Å; L654-W656 PolarHBondContact O-N 2.94Å |
| 657 | G | 55.6 | Low | 63.4 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -153.8 | -21 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | Y655 | Y655-G657 PolarHBondContact O-N 3.45Š|
| 658 | D | 53.6 | Low | 63.2 | Low | 135 Ų | 135 | 101 Ų | 101 | 72% | 0.722 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -143 | 164.5 | -173 | -101.6 | -52.5 | 0 | 0 | 0 | 113.8 | F660 | D658-F660 HydrophobicContact CB-CE2 4.13Å; D658-F660 WeakPolarHBondContact O-CD2 3.26Å |
| 659 | M | 46.2 | Very low | 63.5 | Low | 183 Ų | 183 | 104 Ų | 104 | 90% | 0.901 | 56% | 0.557 | S | S | * | * | trans | -83.3 | 118 | -168 | -64.9 | -159.7 | 74.9 | 0 | 0 | 115.2 | ||||
| 660 | F | 51.2 | Low | 63.6 | Low | 104 Ų | 104 | 102.4 Ų | 102.4 | 46% | 0.456 | 56% | 0.557 | S | S | . | * | trans | -135.5 | 124.4 | 171.4 | -62.1 | -90.8 | 0 | 0 | 0 | 109.2 | Y655 D658 | Y655-F660 HydrophobicContact CD1-CB 3.8Å; Y655-F660 HydrophobicContact CD1-CD1 4.32Å; Y655-F660 AromaticContact CD1-CD2 3.41Å; Y655-F660 HydrophobicContact CD1-CD2 3.41Å; Y655-F660 VanDerWaalsContact CD1-CD2 3.41Å; Y655-F660 HydrophobicContact CD1-CE2 4.05Å; Y655-F660 AromaticContact CD1-CG 3.58Å; Y655-F660 HydrophobicContact CD1-CG 3.58Å; Y655-F660 HydrophobicContact CD2-CD2 4.21Å; Y655-F660 HydrophobicContact CD2-CE2 4.02Å; Y655-F660 HydrophobicContact CE1-CB 3.65Å; Y655-F660 AromaticContact CE1-CD1 3.52Å; Y655-F660 HydrophobicContact CE1-CD1 3.52Å; Y655-F660 AromaticContact CE1-CD2 3.46Å; Y655-F660 HydrophobicContact CE1-CD2 3.46Å; Y655-F660 VanDerWaalsContact CE1-CD2 3.46Å; Y655-F660 HydrophobicContact CE1-CE1 4.01Å; Y655-F660 AromaticContact CE1-CE2 3.95Å; Y655-F660 HydrophobicContact CE1-CE2 3.95Å; Y655-F660 AromaticContact CE1-CG 3.23Å; Y655-F660 HydrophobicContact CE1-CG 3.23Å; Y655-F660 HydrophobicContact CE1-CZ 4.2Å; Y655-F660 HydrophobicContact CE2-CD2 4.24Å; Y655-F660 HydrophobicContact CE2-CE1 4.35Å; Y655-F660 AromaticContact CE2-CE2 3.91Å; Y655-F660 HydrophobicContact CE2-CE2 3.91Å; Y655-F660 AromaticContact CE2-CZ 3.97Å; Y655-F660 HydrophobicContact CE2-CZ 3.97Å; Y655-F660 AromaticContact CG-CD2 3.8Å; Y655-F660 HydrophobicContact CG-CD2 3.8Å; Y655-F660 HydrophobicContact CG-CE2 4.08Å; Y655-F660 HydrophobicContact CG-CG 4.41Å; Y655-F660 AromaticContact CZ-CD1 3.71Å; Y655-F660 AromaticContact CZ-CD2 3.87Å; Y655-F660 AromaticContact CZ-CE1 3.69Å; Y655-F660 AromaticContact CZ-CE2 3.85Å; Y655-F660 AromaticContact CZ-CG 3.81Å; Y655-F660 AromaticContact CZ-CZ 3.77Å; Y655-F660 WeakPolarHBondContact OH-CE1 3.48Å; D658-F660 HydrophobicContact CB-CE2 4.13Å; D658-F660 WeakPolarHBondContact O-CD2 3.26Å | ||
| 661 | S | 61.9 | Low | 63.6 | Low | 79 Ų | 79 | 98.4 Ų | 98.4 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | cis | 98.2 | 140.9 | 39 | 84.3 | 0 | 0 | 0 | 0 | 113.7 | P663 F664 | S661-P663 VanDerWaalsContact C-CD 3.43Å; S661-P663 WeakPolarHBondContact O-CD 3.36Å; S661-F664 PolarHBondContact O-N 3.03Å | ||
| 662 | G | 64.8 | Low | 63.7 | Low | 55 Ų | 55 | 99.5 Ų | 99.5 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | -39.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | F664 L665 | G662-F664 PolarHBondContact O-N 3.43Å; G662-F664 VanDerWaalsContact O-N 3.1Å; G662-L665 PolarHBondContact O-N 2.96Å; G662-L665 VanDerWaalsContact O-N 3.13Å |
| 663 | P | 65.1 | Low | 63.9 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.4 | -23.1 | -177.2 | 20.8 | -33.1 | 0 | 0 | 0 | 114.4 | S661 L665 F666 G667 | S661-P663 VanDerWaalsContact C-CD 3.43Å; S661-P663 WeakPolarHBondContact O-CD 3.36Å; P663-L665 VanDerWaalsContact C-N 3.28Å; P663-L665 PolarHBondContact O-N 2.71Å; P663-F666 PolarHBondContact O-N 3.28Å; P663-G667 PolarHBondContact O-N 3.45Å; P663-G667 VanDerWaalsContact O-N 3.09Å |
| 664 | F | 63 | Low | 64 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 40% | 0.404 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 176.9 | -158.8 | -89.3 | 0 | 0 | 0 | 112.4 | L651 Y655 S661 G662 G667 T668 | L651-F664 HydrophobicContact CB-CE2 4.47Å; Y655-F664 HydrophobicContact CD1-CD2 4.44Å; S661-F664 PolarHBondContact O-N 3.03Å; G662-F664 PolarHBondContact O-N 3.43Å; G662-F664 VanDerWaalsContact O-N 3.1Å; F664-G667 PolarHBondContact O-N 3.49Å; F664-T668 HydrophobicContact CD1-CG2 4.37Å; F664-T668 HydrophobicContact CE1-CG2 4.27Å; F664-T668 PolarHBondContact O-N 3.28Å |
| 665 | L | 65.1 | Low | 64.2 | Low | 114 Ų | 114 | 93.6 Ų | 93.6 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.6 | -37.8 | 179.4 | -161.5 | 98.8 | 0 | 0 | 0 | 112.4 | G662 P663 G667 T668 I669 | G662-L665 PolarHBondContact O-N 2.96Å; G662-L665 VanDerWaalsContact O-N 3.13Å; P663-L665 VanDerWaalsContact C-N 3.28Å; P663-L665 PolarHBondContact O-N 2.71Å; L665-G667 VanDerWaalsContact C-N 3.3Å; L665-T668 PolarHBondContact O-N 2.93Å; L665-T668 PolarHBondContact O-OG1 2.86Å; L665-I669 HydrophobicContact CD2-CD1 4.15Å; L665-I669 HydrophobicContact CG-CD1 4.32Å; L665-I669 WeakPolarHBondContact O-CG1 3.28Å; L665-I669 PolarHBondContact O-N 3.46Å |
| 666 | F | 69.1 | Low | 64.3 | Low | 167 Ų | 167 | 95.5 Ų | 95.5 | 73% | 0.732 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.4 | -37.3 | 172.8 | -93.1 | -86.1 | 0 | 0 | 0 | 111.5 | P663 I669 A670 | P663-F666 PolarHBondContact O-N 3.28Å; F666-I669 PolarHBondContact O-N 3.45Å; F666-A670 WeakPolarHBondContact O-CB 3.4Å; F666-A670 PolarHBondContact O-N 3.25Å |
| 667 | G | 68.6 | Low | 64.7 | Low | 38 Ų | 38 | 91.6 Ų | 91.6 | 39% | 0.392 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | P663 F664 L665 L671 | P663-G667 PolarHBondContact O-N 3.45Å; P663-G667 VanDerWaalsContact O-N 3.09Å; F664-G667 PolarHBondContact O-N 3.49Å; L665-G667 VanDerWaalsContact C-N 3.3Å; G667-L671 WeakPolarHBondContact O-CB 3.35Å; G667-L671 PolarHBondContact O-N 3.29Å; G667-L671 VanDerWaalsContact O-N 3.1Å |
| 668 | T | 67.8 | Low | 65 | Low | 68 Ų | 68 | 89 Ų | 89 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | -179.2 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | F664 L665 L671 S672 | F664-T668 HydrophobicContact CD1-CG2 4.37Å; F664-T668 HydrophobicContact CE1-CG2 4.27Å; F664-T668 PolarHBondContact O-N 3.28Å; L665-T668 PolarHBondContact O-N 2.93Å; L665-T668 PolarHBondContact O-OG1 2.86Å; T668-L671 WeakPolarHBondContact O-CB 3.45Å; T668-L671 PolarHBondContact O-N 3.43Å; T668-S672 PolarHBondContact O-N 3.05Å |
| 669 | I | 71.7 | Confident | 65.6 | Low | 96 Ų | 96 | 85.6 Ų | 85.6 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 177.3 | -65.9 | 167.5 | 0 | 0 | 0 | 110.7 | L665 F666 L671 S672 S673 | L665-I669 HydrophobicContact CD2-CD1 4.15Å; L665-I669 HydrophobicContact CG-CD1 4.32Å; L665-I669 WeakPolarHBondContact O-CG1 3.28Å; L665-I669 PolarHBondContact O-N 3.46Å; F666-I669 PolarHBondContact O-N 3.45Å; I669-L671 VanDerWaalsContact C-N 3.33Å; I669-L671 PolarHBondContact O-N 2.84Å; I669-S672 PolarHBondContact O-N 3.07Å; I669-S672 PolarHBondContact O-OG 3.22Å; I669-S673 PolarHBondContact O-N 3.44Å; I669-S673 VanDerWaalsContact O-N 3.12Å |
| 670 | A | 71.5 | Confident | 66.7 | Low | 55 Ų | 55 | 78.7 Ų | 78.7 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.3 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F666 S672 S673 V674 | F666-A670 WeakPolarHBondContact O-CB 3.4Å; F666-A670 PolarHBondContact O-N 3.25Å; A670-S672 PolarHBondContact O-N 3.19Å; A670-S673 PolarHBondContact O-N 2.92Å; A670-S673 PolarHBondContact O-OG 3.28Å; A670-V674 WeakPolarHBondContact O-CG2 3.38Å; A670-V674 PolarHBondContact O-N 2.96Å |
| 671 | L | 69.2 | Low | 67.5 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -52.5 | -49.2 | 173.7 | -116.1 | 157.3 | 0 | 0 | 0 | 112.6 | L644 A648 G667 T668 I669 S673 V674 V675 | L644-L671 HydrophobicContact CB-CD2 3.78Å; L644-L671 HydrophobicContact CB-CG 4.24Å; L644-L671 HydrophobicContact CD1-CD2 4.28Å; L644-L671 HydrophobicContact CD1-CG 4.41Å; A648-L671 HydrophobicContact CB-CD1 4.07Å; G667-L671 WeakPolarHBondContact O-CB 3.35Å; G667-L671 PolarHBondContact O-N 3.29Å; G667-L671 VanDerWaalsContact O-N 3.1Å; T668-L671 WeakPolarHBondContact O-CB 3.45Å; T668-L671 PolarHBondContact O-N 3.43Å; I669-L671 VanDerWaalsContact C-N 3.33Å; I669-L671 PolarHBondContact O-N 2.84Å; L671-S673 PolarHBondContact O-N 3.49Å; L671-V674 PolarHBondContact O-N 3.43Å; L671-V675 WeakPolarHBondContact O-CG2 3.34Å; L671-V675 PolarHBondContact O-N 3.36Å; L671-V675 VanDerWaalsContact O-N 3.09Å |
| 672 | S | 69 | Low | 67.6 | Low | 72 Ų | 72 | 75.5 Ų | 75.5 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | -178.7 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | T668 I669 A670 V674 V675 L676 | T668-S672 PolarHBondContact O-N 3.05Å; I669-S672 PolarHBondContact O-N 3.07Å; I669-S672 PolarHBondContact O-OG 3.22Å; A670-S672 PolarHBondContact O-N 3.19Å; S672-V674 VanDerWaalsContact C-N 3.35Å; S672-V675 PolarHBondContact O-N 3.36Å; S672-L676 PolarHBondContact O-N 2.88Å |
| 673 | S | 72.8 | Confident | 67.8 | Low | 62 Ų | 62 | 77.3 Ų | 77.3 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 178.7 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | I669 A670 L671 L676 I677 | I669-S673 PolarHBondContact O-N 3.44Å; I669-S673 VanDerWaalsContact O-N 3.12Å; A670-S673 PolarHBondContact O-N 2.92Å; A670-S673 PolarHBondContact O-OG 3.28Å; L671-S673 PolarHBondContact O-N 3.49Å; S673-L676 PolarHBondContact O-N 3.34Å; S673-I677 PolarHBondContact O-N 2.79Å |
| 674 | V | 68.6 | Low | 68.2 | Low | 44 Ų | 44 | 78.8 Ų | 78.8 | 27% | 0.267 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 174.9 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | L640 L641 L644 A670 L671 S672 L676 I677 T678 | L640-V674 HydrophobicContact CD2-CG1 3.9Å; L641-V674 HydrophobicContact CD2-CG1 3.99Å; L644-V674 HydrophobicContact CD1-CG1 4.41Å; A670-V674 WeakPolarHBondContact O-CG2 3.38Å; A670-V674 PolarHBondContact O-N 2.96Å; L671-V674 PolarHBondContact O-N 3.43Å; S672-V674 VanDerWaalsContact C-N 3.35Å; V674-L676 VanDerWaalsContact C-N 3.27Å; V674-L676 PolarHBondContact O-N 2.65Å; V674-I677 PolarHBondContact O-N 3.43Å; V674-T678 HydrophobicContact CG1-CG2 4.14Å; V674-T678 WeakPolarHBondContact O-CB 3.14Å; V674-T678 WeakPolarHBondContact O-CG2 3.46Å; V674-T678 PolarHBondContact O-N 2.89Å; V674-T678 PolarHBondContact O-OG1 2.91Å |
| 675 | V | 68.1 | Low | 68.5 | Low | 66 Ų | 66 | 75.7 Ų | 75.7 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.2 | -36.4 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 112.6 | L641 L671 S672 T678 V679 | L641-V675 HydrophobicContact CD2-CB 4.49Å; L641-V675 HydrophobicContact CD2-CG2 3.74Å; L671-V675 WeakPolarHBondContact O-CG2 3.34Å; L671-V675 PolarHBondContact O-N 3.36Å; L671-V675 VanDerWaalsContact O-N 3.09Å; S672-V675 PolarHBondContact O-N 3.36Å; V675-T678 VanDerWaalsContact C-OG1 3.3Å; V675-T678 VanDerWaalsContact CA-OG1 3.31Å; V675-T678 WeakPolarHBondContact CA-OG1 3.44Å; V675-T678 PolarHBondContact O-OG1 3.41Å; V675-V679 VanDerWaalsContact O-CG2 3.23Å; V675-V679 WeakPolarHBondContact O-CG2 3.47Å; V675-V679 PolarHBondContact O-N 2.63Å |
| 676 | L | 68 | Low | 68.8 | Low | 140 Ų | 140 | 74.3 Ų | 74.3 | 73% | 0.733 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -71.8 | -48.5 | -178.9 | -171.5 | 63.2 | 0 | 0 | 0 | 112.8 | S672 S673 V674 T678 V679 | S672-L676 PolarHBondContact O-N 2.88Å; S673-L676 PolarHBondContact O-N 3.34Å; V674-L676 VanDerWaalsContact C-N 3.27Å; V674-L676 PolarHBondContact O-N 2.65Å; L676-T678 PolarHBondContact O-N 3.06Å; L676-V679 PolarHBondContact O-N 3.42Å |
| 677 | I | 67.2 | Low | 68.9 | Low | 139 Ų | 139 | 70.7 Ų | 70.7 | 71% | 0.713 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | -179.4 | -65.3 | 169.8 | 0 | 0 | 0 | 111 | S673 V674 | S673-I677 PolarHBondContact O-N 2.79Å; V674-I677 PolarHBondContact O-N 3.43Å |
| 678 | T | 62 | Low | 69 | Low | 13 Ų | 13 | 74.4 Ų | 74.4 | 8% | 0.08 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -77 | -26 | -175.1 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | V637 L641 V674 V675 L676 | V637-T678 HydrophobicContact CB-CG2 4.01Å; V637-T678 HydrophobicContact CG1-CG2 3.31Å; V637-T678 HydrophobicContact CG2-CG2 3.73Å; L641-T678 HydrophobicContact CD2-CG2 4.47Å; L641-T678 HydrophobicContact CG-CG2 4.45Å; V674-T678 HydrophobicContact CG1-CG2 4.14Å; V674-T678 WeakPolarHBondContact O-CB 3.14Å; V674-T678 WeakPolarHBondContact O-CG2 3.46Å; V674-T678 PolarHBondContact O-N 2.89Å; V674-T678 PolarHBondContact O-OG1 2.91Å; V675-T678 VanDerWaalsContact C-OG1 3.3Å; V675-T678 VanDerWaalsContact CA-OG1 3.31Å; V675-T678 WeakPolarHBondContact CA-OG1 3.44Å; V675-T678 PolarHBondContact O-OG1 3.41Å; L676-T678 PolarHBondContact O-N 3.06Å |
| 679 | V | 67 | Low | 69.1 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -83.4 | -24.8 | -179.9 | 168.8 | 0 | 0 | 0 | 0 | 112.9 | V675 L676 M682 I683 | V675-V679 VanDerWaalsContact O-CG2 3.23Å; V675-V679 WeakPolarHBondContact O-CG2 3.47Å; V675-V679 PolarHBondContact O-N 2.63Å; L676-V679 PolarHBondContact O-N 3.42Å; V679-M682 WeakPolarHBondContact O-CB 3.45Å; V679-M682 PolarHBondContact O-N 3.48Å; V679-I683 HydrophobicContact CG1-CD1 3.82Å; V679-I683 HydrophobicContact CG1-CG1 3.93Å; V679-I683 PolarHBondContact O-N 3.22Å; V679-I683 VanDerWaalsContact O-N 3.11Å |
| 680 | G | 69.1 | Low | 68.9 | Low | 37 Ų | 37 | 69.3 Ų | 69.3 | 38% | 0.381 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -49.1 | -49.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | M682 I683 F684 | G680-M682 VanDerWaalsContact C-N 3.3Å; G680-M682 PolarHBondContact O-N 3.36Å; G680-I683 PolarHBondContact O-N 3.02Å; G680-F684 PolarHBondContact O-N 3.1Å |
| 681 | P | 67.4 | Low | 68.7 | Low | 58 Ų | 58 | 72.2 Ų | 72.2 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.8 | -32.4 | 177.7 | -24.6 | 35.3 | 0 | 0 | 0 | 113.9 | L634 F684 L685 | L634-P681 HydrophobicContact CD1-CB 4.47Å; P681-F684 PolarHBondContact O-N 2.89Å; P681-L685 WeakPolarHBondContact O-CG 3.33Å; P681-L685 PolarHBondContact O-N 3.38Å |
| 682 | M | 65.2 | Low | 68.6 | Low | 59 Ų | 59 | 72 Ų | 72 | 29% | 0.291 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 175.2 | -69.6 | -67.4 | -133 | 0 | 0 | 111.3 | L634 V679 G680 F684 L685 C686 | L634-M682 HydrophobicContact CD1-CG 4.1Å; L634-M682 HydrophobicContact CD1-SD 4.36Å; L634-M682 HydrophobicContact CD2-CE 4.33Å; L634-M682 HydrophobicContact CD2-SD 3.9Å; V679-M682 WeakPolarHBondContact O-CB 3.45Å; V679-M682 PolarHBondContact O-N 3.48Å; G680-M682 VanDerWaalsContact C-N 3.3Å; G680-M682 PolarHBondContact O-N 3.36Å; M682-F684 VanDerWaalsContact C-N 3.33Å; M682-F684 PolarHBondContact O-N 2.86Å; M682-L685 PolarHBondContact O-N 3.43Å; M682-C686 WeakPolarHBondContact O-CB 3.43Å; M682-C686 PolarHBondContact O-N 3.32Å; M682-C686 PolarHBondContact O-SG 3.18Å |
| 683 | I | 69.2 | Low | 68.6 | Low | 93 Ų | 93 | 73.6 Ų | 73.6 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 175 | -66.5 | 171.8 | 0 | 0 | 0 | 110.4 | V679 G680 L685 C686 I687 | V679-I683 HydrophobicContact CG1-CD1 3.82Å; V679-I683 HydrophobicContact CG1-CG1 3.93Å; V679-I683 PolarHBondContact O-N 3.22Å; V679-I683 VanDerWaalsContact O-N 3.11Å; G680-I683 PolarHBondContact O-N 3.02Å; I683-L685 PolarHBondContact O-N 3.4Å; I683-C686 PolarHBondContact O-N 3.45Å; I683-I687 HydrophobicContact CG2-CD1 3.74Å; I683-I687 HydrophobicContact CG2-CG1 4.36Å; I683-I687 WeakPolarHBondContact O-CG1 3.41Å; I683-I687 PolarHBondContact O-N 3.31Å |
| 684 | F | 72.4 | Confident | 68.5 | Low | 131 Ų | 131 | 70.7 Ų | 70.7 | 58% | 0.575 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 178.3 | -179 | -99.6 | 0 | 0 | 0 | 112.9 | G680 P681 M682 I687 R688 | G680-F684 PolarHBondContact O-N 3.1Å; P681-F684 PolarHBondContact O-N 2.89Å; M682-F684 VanDerWaalsContact C-N 3.33Å; M682-F684 PolarHBondContact O-N 2.86Å; F684-I687 PolarHBondContact O-N 3.09Å; F684-R688 PolarHBondContact O-N 2.68Å |
| 685 | L | 70.5 | Confident | 68.8 | Low | 27 Ų | 27 | 74.5 Ų | 74.5 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.5 | -72 | 170.6 | 0 | 0 | 0 | 111.9 | I552 I614 P681 M682 I683 R688 A689 | I552-L685 HydrophobicContact CG2-CD1 4.3Å; I614-L685 HydrophobicContact CD1-CD2 4.41Å; P681-L685 WeakPolarHBondContact O-CG 3.33Å; P681-L685 PolarHBondContact O-N 3.38Å; M682-L685 PolarHBondContact O-N 3.43Å; I683-L685 PolarHBondContact O-N 3.4Å; L685-R688 PolarHBondContact O-N 2.92Å; L685-A689 WeakPolarHBondContact O-CB 3.21Å; L685-A689 PolarHBondContact O-N 3.06Å |
| 686 | C | 70 | Confident | 69.3 | Low | 84 Ų | 84 | 78.9 Ų | 78.9 | 57% | 0.568 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 175.6 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | M682 I683 A689 A690 | M682-C686 WeakPolarHBondContact O-CB 3.43Å; M682-C686 PolarHBondContact O-N 3.32Å; M682-C686 PolarHBondContact O-SG 3.18Å; I683-C686 PolarHBondContact O-N 3.45Å; C686-A689 PolarHBondContact O-N 3.05Å; C686-A690 VanDerWaalsContact O-CB 3.26Å; C686-A690 WeakPolarHBondContact O-CB 3.18Å; C686-A690 PolarHBondContact O-N 2.66Å |
| 687 | I | 71.5 | Confident | 69.8 | Low | 92 Ų | 92 | 73.4 Ų | 73.4 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 175.4 | -69.8 | 166.6 | 0 | 0 | 0 | 110.3 | I683 F684 A689 A690 L691 | I683-I687 HydrophobicContact CG2-CD1 3.74Å; I683-I687 HydrophobicContact CG2-CG1 4.36Å; I683-I687 WeakPolarHBondContact O-CG1 3.41Å; I683-I687 PolarHBondContact O-N 3.31Å; F684-I687 PolarHBondContact O-N 3.09Å; I687-A689 VanDerWaalsContact C-N 3.33Å; I687-A689 PolarHBondContact O-N 3.01Å; I687-A690 PolarHBondContact O-N 2.71Å; I687-A690 VanDerWaalsContact O-N 3.09Å; I687-L691 HydrophobicContact CG2-CD1 3.92Å; I687-L691 HydrophobicContact CG2-CG 4.46Å; I687-L691 WeakPolarHBondContact O-CG 3.15Å; I687-L691 PolarHBondContact O-N 2.93Å |
| 688 | R | 70.7 | Confident | 70.3 | Confident | 116 Ų | 116 | 66.8 Ų | 66.8 | 44% | 0.438 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 179.8 | -163.2 | -174.9 | 170.3 | 97.4 | 2.4 | 111.8 | A613 F684 L685 V692 | A613-R688 HydrophobicContact CB-CG 4.19Å; A613-R688 PolarHBondContact O-NE 3.05Å; A613-R688 PolarHBondContact O-NH2 3.36Å; F684-R688 PolarHBondContact O-N 2.68Å; L685-R688 PolarHBondContact O-N 2.92Å; R688-V692 WeakPolarHBondContact O-CG2 3.48Å; R688-V692 PolarHBondContact O-N 2.76Å |
| 689 | A | 69.3 | Low | 71.2 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.4 | -28 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R609 L610 L685 C686 I687 | R609-A689 HydrophobicContact CB-CB 4.35Å; L610-A689 HydrophobicContact CD2-CB 3.83Å; L610-A689 HydrophobicContact CG-CB 4.07Å; L685-A689 WeakPolarHBondContact O-CB 3.21Å; L685-A689 PolarHBondContact O-N 3.06Å; C686-A689 PolarHBondContact O-N 3.05Å; I687-A689 VanDerWaalsContact C-N 3.33Å; I687-A689 PolarHBondContact O-N 3.01Å |
| 690 | A | 68.7 | Low | 71.9 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -76.5 | -27.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C686 I687 R693 | C686-A690 VanDerWaalsContact O-CB 3.26Å; C686-A690 WeakPolarHBondContact O-CB 3.18Å; C686-A690 PolarHBondContact O-N 2.66Å; I687-A690 PolarHBondContact O-N 2.71Å; I687-A690 VanDerWaalsContact O-N 3.09Å; A690-R693 WeakPolarHBondContact O-CG 3.31Å; A690-R693 PolarHBondContact O-NE 3.45Å |
| 691 | L | 66.4 | Low | 72.4 | Confident | 116 Ų | 116 | 71.7 Ų | 71.7 | 61% | 0.607 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -78.1 | -46.2 | 176.1 | -70.4 | 169.6 | 0 | 0 | 0 | 112.4 | I687 R693 | I687-L691 HydrophobicContact CG2-CD1 3.92Å; I687-L691 HydrophobicContact CG2-CG 4.46Å; I687-L691 WeakPolarHBondContact O-CG 3.15Å; I687-L691 PolarHBondContact O-N 2.93Å; L691-R693 VanDerWaalsContact C-N 3.34Å; L691-R693 PolarHBondContact O-N 2.95Å |
| 692 | V | 66.8 | Low | 72.9 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | trans | -76.7 | 80.7 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | R612 A613 R688 | R612-V692 HydrophobicContact CB-CG1 4.21Å; R612-V692 HydrophobicContact CG-CG1 3.74Å; A613-V692 HydrophobicContact CB-CB 4.19Å; A613-V692 HydrophobicContact CB-CG2 4.04Å; R688-V692 WeakPolarHBondContact O-CG2 3.48Å; R688-V692 PolarHBondContact O-N 2.76Å | ||
| 693 | R | 70.5 | Confident | 73.6 | Confident | 105 Ų | 105 | 77 Ų | 77 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | trans | -101.9 | 115 | 177.7 | -58.4 | -175.7 | -171.9 | -166.7 | 0.5 | 110.3 | A690 L691 R695 R696 | A690-R693 WeakPolarHBondContact O-CG 3.31Å; A690-R693 PolarHBondContact O-NE 3.45Å; L691-R693 VanDerWaalsContact C-N 3.34Å; L691-R693 PolarHBondContact O-N 2.95Å; R693-R695 VanDerWaalsContact C-N 3.31Å; R693-R695 PolarHBondContact O-N 3.06Å; R693-R696 HydrophobicContact CB-CB 4.3Å; R693-R696 HydrophobicContact CB-CG 4.2Å; R693-R696 PolarHBondContact O-N 3.18Å | ||
| 694 | P | 70.9 | Confident | 74 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.1 | -42.8 | -177.3 | 21.9 | -32.1 | 0 | 0 | 0 | 112.3 | Y596 R696 A697 M698 | Y596-P694 HydrophobicContact CD1-CB 3.75Å; Y596-P694 HydrophobicContact CD1-CG 4.21Å; Y596-P694 HydrophobicContact CD2-CB 3.9Å; Y596-P694 HydrophobicContact CE1-CB 4.13Å; Y596-P694 HydrophobicContact CE2-CB 4.24Å; Y596-P694 HydrophobicContact CG-CB 3.65Å; Y596-P694 HydrophobicContact CG-CG 4.29Å; P694-R696 PolarHBondContact O-N 2.96Å; P694-A697 WeakPolarHBondContact O-CB 3.23Å; P694-A697 PolarHBondContact O-N 2.88Å; P694-M698 PolarHBondContact O-N 3.21Å; P694-M698 VanDerWaalsContact O-N 3.14Å |
| 695 | R | 74.2 | Confident | 74 | Confident | 124 Ų | 124 | 70.1 Ų | 70.1 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -13.1 | 176.5 | -56.6 | -157.8 | 165.4 | 167.3 | -4.4 | 115.6 | D593 R693 K699 | D593-R695 WeakPolarHBondContact OD1-CA 3.41Å; D593-R695 WeakPolarHBondContact OD1-CG 3.28Å; D593-R695 IonicContact OD2-NE 3.67Å; R693-R695 VanDerWaalsContact C-N 3.31Å; R693-R695 PolarHBondContact O-N 3.06Å; R695-K699 WeakPolarHBondContact O-CG 3.31Å |
| 696 | R | 78.6 | Confident | 74 | Confident | 157 Ų | 157 | 77.2 Ų | 77.2 | 59% | 0.592 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -85.2 | -36.3 | 170.1 | -79.8 | -173.9 | 169.2 | 176.4 | -7.6 | 111.5 | R693 P694 S700 | R693-R696 HydrophobicContact CB-CB 4.3Å; R693-R696 HydrophobicContact CB-CG 4.2Å; R693-R696 PolarHBondContact O-N 3.18Å; P694-R696 PolarHBondContact O-N 2.96Å; R696-S700 PolarHBondContact O-N 3.42Å |
| 697 | A | 77.7 | Confident | 74.3 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 21% | 0.207 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.2 | -50.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P694 K699 S700 L701 | P694-A697 WeakPolarHBondContact O-CB 3.23Å; P694-A697 PolarHBondContact O-N 2.88Å; A697-K699 VanDerWaalsContact C-N 3.29Å; A697-K699 PolarHBondContact O-N 3.43Å; A697-S700 WeakPolarHBondContact O-CA 3.38Å; A697-S700 WeakPolarHBondContact O-CB 3.22Å; A697-S700 PolarHBondContact O-N 3.01Å; A697-L701 WeakPolarHBondContact O-CG 3.38Å; A697-L701 PolarHBondContact O-N 3.01Å |
| 698 | M | 78.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.1 | -44.6 | 177 | -64.2 | -63.3 | 101.3 | 0 | 0 | 112.3 | N589 I592 D593 Y596 P694 L701 L702 E720 | N589-M698 PolarHBondContact ND2-O 3.03Å; I592-M698 HydrophobicContact CB-SD 3.89Å; I592-M698 HydrophobicContact CG2-CE 4.11Å; I592-M698 HydrophobicContact CG2-SD 3.5Å; I592-M698 WeakPolarHBondContact CG2-SD 3.42Å; D593-M698 HydrophobicContact CB-CB 4.14Å; D593-M698 HydrophobicContact CB-CG 3.99Å; Y596-M698 HydrophobicContact CD2-CG 4.42Å; Y596-M698 HydrophobicContact CE2-CE 4.29Å; P694-M698 PolarHBondContact O-N 3.21Å; P694-M698 VanDerWaalsContact O-N 3.14Å; M698-L701 HydrophobicContact CE-CD1 4.05Å; M698-L701 PolarHBondContact O-N 3.33Å; M698-L702 PolarHBondContact O-N 3.45Å; M698-E720 HydrophobicContact CE-CB 3.65Å; M698-E720 HydrophobicContact CE-CG 3.53Å; M698-E720 WeakPolarHBondContact CE-OE2 3.36Å |
| 699 | K | 81.2 | Confident | 74.8 | Confident | 146 Ų | 146 | 81.1 Ų | 81.1 | 64% | 0.635 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.6 | -28.6 | 176.3 | -71.5 | -169.4 | 174.8 | -149 | 0 | 114.5 | R695 A697 Y703 | R695-K699 WeakPolarHBondContact O-CG 3.31Å; A697-K699 VanDerWaalsContact C-N 3.29Å; A697-K699 PolarHBondContact O-N 3.43Å; K699-Y703 PolarHBondContact O-N 2.92Å |
| 700 | S | 81.2 | Confident | 75.1 | Confident | 55 Ų | 55 | 84.9 Ų | 84.9 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 169.6 | -158.1 | 0 | 0 | 0 | 0 | 110.2 | R696 A697 L702 Y703 E704 | R696-S700 PolarHBondContact O-N 3.42Å; A697-S700 WeakPolarHBondContact O-CA 3.38Å; A697-S700 WeakPolarHBondContact O-CB 3.22Å; A697-S700 PolarHBondContact O-N 3.01Å; S700-L702 VanDerWaalsContact C-N 3.31Å; S700-L702 PolarHBondContact O-N 3.28Å; S700-Y703 PolarHBondContact O-N 3Å; S700-E704 WeakPolarHBondContact O-CG 3.24Å; S700-E704 PolarHBondContact O-N 3.36Å; S700-E704 PolarHBondContact OG-OE1 3.18Å |
| 701 | L | 78.6 | Confident | 75.6 | Confident | 15 Ų | 15 | 89.8 Ų | 89.8 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64 | -33.5 | 178 | -62.9 | -179.5 | 0 | 0 | 0 | 112.9 | A697 M698 Y703 L705 F713 K716 L717 E720 | A697-L701 WeakPolarHBondContact O-CG 3.38Å; A697-L701 PolarHBondContact O-N 3.01Å; M698-L701 HydrophobicContact CE-CD1 4.05Å; M698-L701 PolarHBondContact O-N 3.33Å; L701-Y703 VanDerWaalsContact C-N 3.35Å; L701-L705 PolarHBondContact O-N 2.95Å; L701-F713 HydrophobicContact CB-CE2 4.48Å; L701-K716 HydrophobicContact CD2-CB 3.8Å; L701-K716 HydrophobicContact CD2-CD 3.72Å; L701-K716 HydrophobicContact CD2-CG 4.27Å; L701-L717 HydrophobicContact CD1-CD2 4.07Å; L701-E720 HydrophobicContact CD1-CG 4.16Å |
| 702 | L | 78.1 | Confident | 76.4 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66 | -33.5 | 170.8 | -74.7 | 176.4 | 0 | 0 | 0 | 113.1 | N589 M698 S700 L705 | N589-L702 HydrophobicContact CB-CD2 3.85Å; N589-L702 HydrophobicContact CB-CG 4.44Å; N589-L702 WeakPolarHBondContact ND2-CG 3.43Å; M698-L702 PolarHBondContact O-N 3.45Å; S700-L702 VanDerWaalsContact C-N 3.31Å; S700-L702 PolarHBondContact O-N 3.28Å; L702-L705 HydrophobicContact CD2-CD1 4.43Å; L702-L705 VanDerWaalsContact O-CB 3.3Å; L702-L705 WeakPolarHBondContact O-CB 3.42Å |
| 703 | Y | 79.8 | Confident | 77.2 | Confident | 180 Ų | 180 | 83.8 Ų | 83.8 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -80.4 | -32.6 | 178.9 | -174.9 | -92.3 | 0 | 0 | 0 | 112.4 | K699 S700 L701 L705 | K699-Y703 PolarHBondContact O-N 2.92Å; S700-Y703 PolarHBondContact O-N 3Å; L701-Y703 VanDerWaalsContact C-N 3.35Å; Y703-L705 PolarHBondContact O-N 3.08Å |
| 704 | E | 78.8 | Confident | 77.7 | Confident | 55 Ų | 55 | 79.4 Ų | 79.4 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.1 | -12.5 | 175.3 | -68.3 | 166.1 | -138.1 | 0 | 0 | 113.1 | S700 E706 N707 L708 K716 | S700-E704 WeakPolarHBondContact O-CG 3.24Å; S700-E704 PolarHBondContact O-N 3.36Å; S700-E704 PolarHBondContact OG-OE1 3.18Å; E704-E706 VanDerWaalsContact C-N 3.35Å; E704-E706 PolarHBondContact O-N 3.18Å; E704-N707 PolarHBondContact O-N 3.44Å; E704-L708 HydrophobicContact CB-CD1 3.76Å; E704-L708 HydrophobicContact CB-CG 4.41Å; E704-L708 WeakPolarHBondContact O-CG 3.33Å; E704-L708 PolarHBondContact O-N 3.09Å; E704-K716 IonicContact OE2-NZ 2.63Å; E704-K716 PolarHBondContact OE2-NZ 2.93Å |
| 705 | L | 72.6 | Confident | 78.3 | Confident | 26 Ų | 26 | 85.4 Ų | 85.4 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -57.6 | -42 | -175.9 | -161.9 | 157.4 | 0 | 0 | 0 | 112.4 | E585 L701 L702 Y703 N707 L708 F713 | E585-L705 HydrophobicContact CB-CD1 3.84Å; E585-L705 HydrophobicContact CB-CG 4.39Å; L701-L705 PolarHBondContact O-N 2.95Å; L702-L705 HydrophobicContact CD2-CD1 4.43Å; L702-L705 VanDerWaalsContact O-CB 3.3Å; L702-L705 WeakPolarHBondContact O-CB 3.42Å; Y703-L705 PolarHBondContact O-N 3.08Å; L705-N707 PolarHBondContact O-N 3.46Å; L705-N707 VanDerWaalsContact O-N 3.11Å; L705-L708 PolarHBondContact O-N 2.81Å; L705-F713 HydrophobicContact CB-CE2 4.41Å; L705-F713 HydrophobicContact CD1-CE2 3.88Å; L705-F713 HydrophobicContact CD1-CZ 3.9Å; L705-F713 HydrophobicContact CG-CD2 4.33Å; L705-F713 HydrophobicContact CG-CE2 4.11Å; L705-F713 HydrophobicContact CG-CZ 4.47Å |
| 706 | E | 70.7 | Confident | 78.8 | Confident | 175 Ų | 175 | 82.9 Ų | 82.9 | 82% | 0.818 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -62.9 | -16.8 | 175.7 | -62.8 | -178.6 | 170 | 0 | 0 | 114.1 | E704 | E704-E706 VanDerWaalsContact C-N 3.35Å; E704-E706 PolarHBondContact O-N 3.18Å |
| 707 | N | 75.7 | Confident | 79.1 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -114.9 | -0.4 | -172.4 | -67.9 | -85 | 0 | 0 | 0 | 113.6 | E704 L705 | E704-N707 PolarHBondContact O-N 3.44Å; L705-N707 PolarHBondContact O-N 3.46Å; L705-N707 VanDerWaalsContact O-N 3.11Å |
| 708 | L | 74.4 | Confident | 79.5 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -112.7 | 149.7 | -176.1 | -71 | 167.6 | 0 | 0 | 0 | 111.5 | E704 L705 A712 F713 K716 | E704-L708 HydrophobicContact CB-CD1 3.76Å; E704-L708 HydrophobicContact CB-CG 4.41Å; E704-L708 WeakPolarHBondContact O-CG 3.33Å; E704-L708 PolarHBondContact O-N 3.09Å; L705-L708 PolarHBondContact O-N 2.81Å; L708-A712 HydrophobicContact CD2-CB 4.11Å; L708-F713 HydrophobicContact CB-CB 4.28Å; L708-F713 HydrophobicContact CD1-CB 4.35Å; L708-F713 HydrophobicContact CD1-CD2 4.46Å; L708-K716 HydrophobicContact CD1-CD 3.93Å |
| 709 | R | 78.1 | Confident | 79.8 | Confident | 198 Ų | 198 | 80.5 Ų | 80.5 | 75% | 0.747 | 38% | 0.383 | S | S | * | . | trans | -74.5 | 146.3 | 160.3 | -65.1 | -177.1 | -177.5 | 175.8 | 1.1 | 108.9 | E711 A712 F713 | R709-E711 PolarHBondContact O-N 3.34Å; R709-E711 VanDerWaalsContact O-N 3.08Å; R709-A712 PolarHBondContact O-N 2.93Å; R709-F713 PolarHBondContact O-N 2.85Å | ||
| 710 | F | 75.1 | Confident | 80.1 | Confident | 89 Ų | 89 | 75 Ų | 75 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -44 | -44 | 175.5 | -179.8 | -109.8 | 0 | 0 | 0 | 113 | E585 A712 F713 M714 A762 | E585-F710 HydrophobicContact CG-CD2 3.77Å; E585-F710 HydrophobicContact CG-CE2 3.9Å; E585-F710 WeakPolarHBondContact OE1-CD2 3.43Å; F710-A712 PolarHBondContact O-N 3.21Å; F710-F713 PolarHBondContact O-N 2.85Å; F710-M714 HydrophobicContact CD1-CG 4.22Å; F710-M714 HydrophobicContact CD2-CG 4.09Å; F710-M714 HydrophobicContact CE1-CG 3.93Å; F710-M714 HydrophobicContact CE2-CG 3.8Å; F710-M714 HydrophobicContact CE2-SD 4.03Å; F710-M714 HydrophobicContact CG-CG 4.3Å; F710-M714 HydrophobicContact CZ-CE 4.29Å; F710-M714 HydrophobicContact CZ-CG 3.71Å; F710-M714 HydrophobicContact CZ-SD 3.96Å; F710-M714 VanDerWaalsContact O-CB 3.28Å; F710-M714 WeakPolarHBondContact O-CB 3.48Å; F710-M714 WeakPolarHBondContact O-CG 3.13Å; F710-M714 PolarHBondContact O-N 3.42Å; F710-A762 HydrophobicContact CZ-CB 4.04Å |
| 711 | E | 79.6 | Confident | 80.3 | Confident | 149 Ų | 149 | 72.5 Ų | 72.5 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.1 | -46.4 | 177.1 | -59.7 | 173.6 | 140.4 | 0 | 0 | 113.1 | R709 M714 E715 | R709-E711 PolarHBondContact O-N 3.34Å; R709-E711 VanDerWaalsContact O-N 3.08Å; E711-M714 PolarHBondContact O-N 3.27Å; E711-E715 PolarHBondContact O-N 2.98Å |
| 712 | A | 82.8 | Confident | 80.6 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.1 | -30.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L708 R709 F710 K716 | L708-A712 HydrophobicContact CD2-CB 4.11Å; R709-A712 PolarHBondContact O-N 2.93Å; F710-A712 PolarHBondContact O-N 3.21Å; A712-K716 WeakPolarHBondContact O-CG 3.36Å; A712-K716 PolarHBondContact O-N 3.49Å; A712-K716 VanDerWaalsContact O-N 3.14Å |
| 713 | F | 83.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 168.8 | 175.4 | -100.8 | 0 | 0 | 0 | 110.9 | E585 N589 L701 L705 L708 R709 F710 E715 K716 L717 | E585-F713 HydrophobicContact CB-CD1 4.18Å; E585-F713 HydrophobicContact CB-CE1 3.59Å; E585-F713 HydrophobicContact CB-CZ 4.08Å; E585-F713 HydrophobicContact CG-CD1 4.06Å; E585-F713 HydrophobicContact CG-CE1 3.94Å; N589-F713 HydrophobicContact CB-CZ 4.27Å; L701-F713 HydrophobicContact CB-CE2 4.48Å; L705-F713 HydrophobicContact CB-CE2 4.41Å; L705-F713 HydrophobicContact CD1-CE2 3.88Å; L705-F713 HydrophobicContact CD1-CZ 3.9Å; L705-F713 HydrophobicContact CG-CD2 4.33Å; L705-F713 HydrophobicContact CG-CE2 4.11Å; L705-F713 HydrophobicContact CG-CZ 4.47Å; L708-F713 HydrophobicContact CB-CB 4.28Å; L708-F713 HydrophobicContact CD1-CB 4.35Å; L708-F713 HydrophobicContact CD1-CD2 4.46Å; R709-F713 PolarHBondContact O-N 2.85Å; F710-F713 PolarHBondContact O-N 2.85Å; F713-E715 VanDerWaalsContact C-N 3.34Å; F713-E715 PolarHBondContact O-N 3.32Å; F713-K716 PolarHBondContact O-N 3.4Å; F713-L717 HydrophobicContact CD1-CD1 4.01Å; F713-L717 HydrophobicContact CD1-CG 4.36Å; F713-L717 HydrophobicContact CE1-CD1 3.35Å; F713-L717 HydrophobicContact CE1-CG 3.96Å; F713-L717 HydrophobicContact CE2-CG 4.5Å; F713-L717 HydrophobicContact CZ-CD1 3.73Å; F713-L717 HydrophobicContact CZ-CD2 4.27Å; F713-L717 HydrophobicContact CZ-CG 4.05Å; F713-L717 PolarHBondContact O-N 2.71Å |
| 714 | M | 81 | Confident | 81.2 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -35.2 | 176.1 | -71.9 | -70.1 | -74.4 | 0 | 0 | 112.6 | L588 F710 E711 L717 C718 A762 V765 L766 | L588-M714 HydrophobicContact CD1-SD 4.19Å; F710-M714 HydrophobicContact CD1-CG 4.22Å; F710-M714 HydrophobicContact CD2-CG 4.09Å; F710-M714 HydrophobicContact CE1-CG 3.93Å; F710-M714 HydrophobicContact CE2-CG 3.8Å; F710-M714 HydrophobicContact CE2-SD 4.03Å; F710-M714 HydrophobicContact CG-CG 4.3Å; F710-M714 HydrophobicContact CZ-CE 4.29Å; F710-M714 HydrophobicContact CZ-CG 3.71Å; F710-M714 HydrophobicContact CZ-SD 3.96Å; F710-M714 VanDerWaalsContact O-CB 3.28Å; F710-M714 WeakPolarHBondContact O-CB 3.48Å; F710-M714 WeakPolarHBondContact O-CG 3.13Å; F710-M714 PolarHBondContact O-N 3.42Å; E711-M714 PolarHBondContact O-N 3.27Å; M714-L717 PolarHBondContact O-N 2.77Å; M714-L717 HydrophobicContact SD-CD1 4.43Å; M714-C718 WeakPolarHBondContact O-CB 3.29Å; M714-C718 PolarHBondContact O-N 3.17Å; M714-C718 PolarHBondContact O-SG 3.48Å; M714-A762 HydrophobicContact CE-CB 3.73Å; M714-A762 WeakPolarHBondContact CE-O 3.32Å; M714-V765 HydrophobicContact CE-CB 4.19Å; M714-V765 HydrophobicContact CE-CG1 3.81Å; M714-L766 HydrophobicContact CE-CD1 3.77Å; M714-L766 HydrophobicContact CE-CD2 4.36Å; M714-L766 HydrophobicContact CE-CG 3.7Å; M714-L766 HydrophobicContact SD-CD1 3.89Å; M714-L766 HydrophobicContact SD-CG 4.28Å |
| 715 | E | 84.4 | Confident | 81.5 | Confident | 127 Ų | 127 | 64.9 Ų | 64.9 | 59% | 0.593 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 171.4 | -172.4 | -178.7 | -172.5 | 0 | 0 | 111.7 | E711 F713 L717 C718 N719 | E711-E715 PolarHBondContact O-N 2.98Å; F713-E715 VanDerWaalsContact C-N 3.34Å; F713-E715 PolarHBondContact O-N 3.32Å; E715-L717 PolarHBondContact O-N 3.02Å; E715-C718 WeakPolarHBondContact O-CB 3.34Å; E715-C718 PolarHBondContact O-N 2.92Å; E715-N719 PolarHBondContact O-N 3.01Å; E715-N719 VanDerWaalsContact O-N 3.1Å; E715-N719 PolarHBondContact O-ND2 3.06Å |
| 716 | K | 84.6 | Confident | 82.1 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 175.1 | -73.4 | 176.6 | 178 | -179.9 | 0 | 112.3 | L701 E704 L708 A712 F713 N719 E720 | L701-K716 HydrophobicContact CD2-CB 3.8Å; L701-K716 HydrophobicContact CD2-CD 3.72Å; L701-K716 HydrophobicContact CD2-CG 4.27Å; E704-K716 IonicContact OE2-NZ 2.63Å; E704-K716 PolarHBondContact OE2-NZ 2.93Å; L708-K716 HydrophobicContact CD1-CD 3.93Å; A712-K716 WeakPolarHBondContact O-CG 3.36Å; A712-K716 PolarHBondContact O-N 3.49Å; A712-K716 VanDerWaalsContact O-N 3.14Å; F713-K716 PolarHBondContact O-N 3.4Å; K716-N719 PolarHBondContact O-N 3.45Å; K716-E720 PolarHBondContact O-N 2.76Å |
| 717 | L | 85 | Confident | 82.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 173.2 | -71.7 | -171.8 | 0 | 0 | 0 | 112.2 | L588 N589 I592 L701 F713 M714 E715 N719 E720 V721 L766 | L588-L717 HydrophobicContact CB-CD1 4.18Å; N589-L717 HydrophobicContact CB-CD2 4.47Å; I592-L717 HydrophobicContact CD1-CB 4.46Å; I592-L717 HydrophobicContact CD1-CD2 3.98Å; L701-L717 HydrophobicContact CD1-CD2 4.07Å; F713-L717 HydrophobicContact CD1-CD1 4.01Å; F713-L717 HydrophobicContact CD1-CG 4.36Å; F713-L717 HydrophobicContact CE1-CD1 3.35Å; F713-L717 HydrophobicContact CE1-CG 3.96Å; F713-L717 HydrophobicContact CE2-CG 4.5Å; F713-L717 HydrophobicContact CZ-CD1 3.73Å; F713-L717 HydrophobicContact CZ-CD2 4.27Å; F713-L717 HydrophobicContact CZ-CG 4.05Å; F713-L717 PolarHBondContact O-N 2.71Å; M714-L717 PolarHBondContact O-N 2.77Å; M714-L717 HydrophobicContact SD-CD1 4.43Å; E715-L717 PolarHBondContact O-N 3.02Å; L717-N719 VanDerWaalsContact C-N 3.26Å; L717-N719 PolarHBondContact O-N 2.77Å; L717-E720 PolarHBondContact O-N 3.45Å; L717-V721 WeakPolarHBondContact O-CG2 3.49Å; L717-V721 PolarHBondContact O-N 3.25Å; L717-L766 HydrophobicContact CB-CD2 3.63Å; L717-L766 HydrophobicContact CD1-CD1 4.23Å |
| 718 | C | 84.8 | Confident | 83.3 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 28% | 0.277 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.3 | -42.6 | 174.5 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | M714 E715 V721 E722 | M714-C718 WeakPolarHBondContact O-CB 3.29Å; M714-C718 PolarHBondContact O-N 3.17Å; M714-C718 PolarHBondContact O-SG 3.48Å; E715-C718 WeakPolarHBondContact O-CB 3.34Å; E715-C718 PolarHBondContact O-N 2.92Å; C718-V721 PolarHBondContact O-N 3.48Å; C718-E722 PolarHBondContact O-N 3.38Å |
| 719 | N | 84.9 | Confident | 83.6 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 49% | 0.492 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 178.9 | -77.4 | -65.1 | 0 | 0 | 0 | 113.2 | E715 K716 L717 L723 | E715-N719 PolarHBondContact O-N 3.01Å; E715-N719 VanDerWaalsContact O-N 3.1Å; E715-N719 PolarHBondContact O-ND2 3.06Å; K716-N719 PolarHBondContact O-N 3.45Å; L717-N719 VanDerWaalsContact C-N 3.26Å; L717-N719 PolarHBondContact O-N 2.77Å; N719-L723 WeakPolarHBondContact O-CB 3.48Å; N719-L723 PolarHBondContact O-N 2.87Å |
| 720 | E | 87.2 | Confident | 83.9 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.6 | -32.8 | 173.9 | -76.9 | -78.7 | 140 | 0 | 0 | 112.5 | Y596 R612 M698 L701 K716 L717 L723 L724 | Y596-E720 PolarHBondContact OH-O 2.71Å; R612-E720 IonicContact CZ-OE1 2.86Å; R612-E720 IonicContact CZ-OE2 3.61Å; R612-E720 VanDerWaalsContact CZ-OE2 3.26Å; R612-E720 IonicContact NH1-OE1 3.79Å; R612-E720 IonicContact NH1-OE2 2.95Å; R612-E720 PolarHBondContact NH1-OE2 3.34Å; R612-E720 IonicContact NH2-OE1 2.69Å; R612-E720 PolarHBondContact NH2-OE1 2.88Å; R612-E720 IonicContact NH2-OE2 2.76Å; R612-E720 PolarHBondContact NH2-OE2 3.19Å; M698-E720 HydrophobicContact CE-CB 3.65Å; M698-E720 HydrophobicContact CE-CG 3.53Å; M698-E720 WeakPolarHBondContact CE-OE2 3.36Å; L701-E720 HydrophobicContact CD1-CG 4.16Å; K716-E720 PolarHBondContact O-N 2.76Å; L717-E720 PolarHBondContact O-N 3.45Å; E720-L723 PolarHBondContact O-N 3.25Å; E720-L724 WeakPolarHBondContact O-CB 3.43Å; E720-L724 PolarHBondContact O-N 3.15Å |
| 721 | V | 86.2 | Confident | 84.4 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 172.1 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | I592 L717 C718 L723 L724 D725 L766 F767 F775 | I592-V721 HydrophobicContact CD1-CG2 3.64Å; I592-V721 HydrophobicContact CG1-CG2 4.16Å; L717-V721 WeakPolarHBondContact O-CG2 3.49Å; L717-V721 PolarHBondContact O-N 3.25Å; C718-V721 PolarHBondContact O-N 3.48Å; V721-L723 VanDerWaalsContact C-N 3.33Å; V721-L724 WeakPolarHBondContact O-CB 3.28Å; V721-L724 PolarHBondContact O-N 3.21Å; V721-D725 PolarHBondContact O-N 3.27Å; V721-D725 VanDerWaalsContact O-N 3.14Å; V721-L766 HydrophobicContact CG2-CD2 4.39Å; V721-F767 HydrophobicContact CG2-CE1 4.31Å; V721-F775 HydrophobicContact CG1-CE2 3.84Å; V721-F775 HydrophobicContact CG1-CZ 3.76Å |
| 722 | E | 84.1 | Confident | 84.5 | Confident | 83 Ų | 83 | 34.1 Ų | 34.1 | 39% | 0.388 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 173.4 | -156.9 | -154.7 | -176.5 | 0 | 0 | 111.4 | C718 R726 | C718-E722 PolarHBondContact O-N 3.38Å; E722-R726 VanDerWaalsContact CD-NE 3.34Å; E722-R726 WeakPolarHBondContact O-CB 3.34Å; E722-R726 WeakPolarHBondContact O-CD 3.44Å; E722-R726 WeakPolarHBondContact O-CG 3.43Å; E722-R726 PolarHBondContact O-N 3.5Å; E722-R726 IonicContact OE1-CZ 3.04Å; E722-R726 IonicContact OE1-NE 3.18Å; E722-R726 PolarHBondContact OE1-NE 3.06Å; E722-R726 IonicContact OE1-NH1 3.89Å; E722-R726 IonicContact OE1-NH2 2.66Å; E722-R726 PolarHBondContact OE1-NH2 2.84Å; E722-R726 IonicContact OE2-CZ 2.84Å; E722-R726 IonicContact OE2-NE 3.48Å; E722-R726 PolarHBondContact OE2-NE 3.33Å; E722-R726 IonicContact OE2-NH1 2.88Å; E722-R726 PolarHBondContact OE2-NH1 3.33Å; E722-R726 IonicContact OE2-NH2 2.88Å; E722-R726 PolarHBondContact OE2-NH2 3.17Å |
| 723 | L | 85.1 | Confident | 84.3 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -39 | 174.8 | -173.8 | 62 | 0 | 0 | 0 | 112 | R612 N719 E720 V721 R726 T727 | R612-L723 HydrophobicContact CG-CD2 4.3Å; R612-L723 VanDerWaalsContact CZ-CD2 3.41Å; N719-L723 WeakPolarHBondContact O-CB 3.48Å; N719-L723 PolarHBondContact O-N 2.87Å; E720-L723 PolarHBondContact O-N 3.25Å; V721-L723 VanDerWaalsContact C-N 3.33Å; L723-R726 PolarHBondContact O-N 3.02Å; L723-T727 WeakPolarHBondContact O-CG2 3.28Å; L723-T727 PolarHBondContact O-N 3.44Å; L723-T727 PolarHBondContact O-OG1 3.46Å |
| 724 | L | 86.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.5 | -57.2 | 173.4 | 179.2 | 65.6 | 0 | 0 | 0 | 110.4 | L595 Y596 L599 E720 V721 R726 T727 I728 L741 | L595-L724 HydrophobicContact CB-CD2 4.19Å; L595-L724 HydrophobicContact CD1-CD2 4.24Å; Y596-L724 HydrophobicContact CD1-CD1 3.73Å; Y596-L724 HydrophobicContact CE1-CB 4.33Å; Y596-L724 HydrophobicContact CE1-CD1 3.43Å; Y596-L724 VanDerWaalsContact CE1-CD1 3.43Å; Y596-L724 HydrophobicContact CE1-CG 4.47Å; Y596-L724 HydrophobicContact CE2-CD1 4.45Å; Y596-L724 HydrophobicContact CG-CD1 4.33Å; Y596-L724 PolarHBondContact OH-N 3.17Å; L599-L724 HydrophobicContact CD2-CD1 4.03Å; E720-L724 WeakPolarHBondContact O-CB 3.43Å; E720-L724 PolarHBondContact O-N 3.15Å; V721-L724 WeakPolarHBondContact O-CB 3.28Å; V721-L724 PolarHBondContact O-N 3.21Å; L724-R726 VanDerWaalsContact C-N 3.35Å; L724-R726 PolarHBondContact O-N 3.47Å; L724-T727 PolarHBondContact O-N 2.83Å; L724-T727 VanDerWaalsContact O-N 3.07Å; L724-T727 PolarHBondContact O-OG1 3.01Å; L724-I728 HydrophobicContact CD1-CD1 3.88Å; L724-I728 HydrophobicContact CD1-CG1 4.46Å; L724-I728 HydrophobicContact CG-CD1 3.84Å; L724-I728 WeakPolarHBondContact O-CG1 3.36Å; L724-I728 PolarHBondContact O-N 2.86Å; L724-L741 HydrophobicContact CD2-CD1 3.88Å; L724-L741 HydrophobicContact CG-CD1 4.32Å |
| 725 | D | 84.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 15% | 0.15 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 179.9 | -172.3 | 85.8 | 0 | 0 | 0 | 112.7 | V721 T727 I728 S729 R774 | V721-D725 PolarHBondContact O-N 3.27Å; V721-D725 VanDerWaalsContact O-N 3.14Å; D725-T727 VanDerWaalsContact C-N 3.3Å; D725-T727 PolarHBondContact O-N 3.26Å; D725-I728 PolarHBondContact O-N 2.91Å; D725-S729 WeakPolarHBondContact O-CB 3.44Å; D725-S729 PolarHBondContact O-N 3.24Å; D725-S729 PolarHBondContact O-OG 3.01Å; D725-S729 VanDerWaalsContact O-OG 3.05Å; D725-S729 PolarHBondContact OD2-OG 3.09Å; D725-R774 WeakPolarHBondContact OD1-CG 3.07Å; D725-R774 IonicContact OD1-CZ 3.86Å; D725-R774 IonicContact OD1-NH1 2.79Å; D725-R774 PolarHBondContact OD1-NH1 2.97Å; D725-R774 IonicContact OD2-NH1 3.76Å; D725-R774 PolarHBondContact OD2-NH1 3.46Å; D725-R774 VanDerWaalsContact OD2-NH1 3.11Å |
| 726 | R | 84.3 | Confident | 83.6 | Confident | 121 Ų | 121 | 36.4 Ų | 36.4 | 46% | 0.457 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.7 | -36.6 | 174.1 | -74.7 | 165.9 | 168.2 | 177.5 | -3.5 | 112.7 | E722 L723 L724 R730 | E722-R726 VanDerWaalsContact CD-NE 3.34Å; E722-R726 WeakPolarHBondContact O-CB 3.34Å; E722-R726 WeakPolarHBondContact O-CD 3.44Å; E722-R726 WeakPolarHBondContact O-CG 3.43Å; E722-R726 PolarHBondContact O-N 3.5Å; E722-R726 IonicContact OE1-CZ 3.04Å; E722-R726 IonicContact OE1-NE 3.18Å; E722-R726 PolarHBondContact OE1-NE 3.06Å; E722-R726 IonicContact OE1-NH1 3.89Å; E722-R726 IonicContact OE1-NH2 2.66Å; E722-R726 PolarHBondContact OE1-NH2 2.84Å; E722-R726 IonicContact OE2-CZ 2.84Å; E722-R726 IonicContact OE2-NE 3.48Å; E722-R726 PolarHBondContact OE2-NE 3.33Å; E722-R726 IonicContact OE2-NH1 2.88Å; E722-R726 PolarHBondContact OE2-NH1 3.33Å; E722-R726 IonicContact OE2-NH2 2.88Å; E722-R726 PolarHBondContact OE2-NH2 3.17Å; L723-R726 PolarHBondContact O-N 3.02Å; L724-R726 VanDerWaalsContact C-N 3.35Å; L724-R726 PolarHBondContact O-N 3.47Å; R726-R730 WeakPolarHBondContact O-CG 3.26Å |
| 727 | T | 86.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.3 | -40.5 | 175.1 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | R612 L723 L724 D725 R730 L731 | R612-T727 HydrophobicContact CB-CG2 3.78Å; R612-T727 HydrophobicContact CG-CG2 4.06Å; L723-T727 WeakPolarHBondContact O-CG2 3.28Å; L723-T727 PolarHBondContact O-N 3.44Å; L723-T727 PolarHBondContact O-OG1 3.46Å; L724-T727 PolarHBondContact O-N 2.83Å; L724-T727 VanDerWaalsContact O-N 3.07Å; L724-T727 PolarHBondContact O-OG1 3.01Å; D725-T727 VanDerWaalsContact C-N 3.3Å; D725-T727 PolarHBondContact O-N 3.26Å; T727-R730 WeakPolarHBondContact O-CB 3.47Å; T727-R730 PolarHBondContact O-N 2.78Å; T727-L731 WeakPolarHBondContact O-CG 3.28Å; T727-L731 PolarHBondContact O-N 3.23Å |
| 728 | I | 86.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 178.3 | -68.2 | 169 | 0 | 0 | 0 | 110.6 | L599 L724 D725 R730 L731 D732 T739 L741 | L599-I728 HydrophobicContact CD1-CD1 4.35Å; L599-I728 HydrophobicContact CD1-CG1 3.81Å; L599-I728 HydrophobicContact CD2-CG1 4.02Å; L724-I728 HydrophobicContact CD1-CD1 3.88Å; L724-I728 HydrophobicContact CD1-CG1 4.46Å; L724-I728 HydrophobicContact CG-CD1 3.84Å; L724-I728 WeakPolarHBondContact O-CG1 3.36Å; L724-I728 PolarHBondContact O-N 2.86Å; D725-I728 PolarHBondContact O-N 2.91Å; I728-R730 PolarHBondContact O-N 3.32Å; I728-R730 VanDerWaalsContact O-N 3.07Å; I728-L731 PolarHBondContact O-N 2.85Å; I728-D732 WeakPolarHBondContact O-CB 3.38Å; I728-D732 PolarHBondContact O-N 3.16Å; I728-T739 WeakPolarHBondContact CG2-OG1 3.24Å; I728-L741 HydrophobicContact CD1-CD1 3.71Å; I728-L741 HydrophobicContact CD1-CD2 3.94Å; I728-L741 HydrophobicContact CD1-CG 4.21Å |
| 729 | S | 81.1 | Confident | 82.8 | Confident | 25 Ų | 25 | 33 Ų | 33 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.5 | -28 | 174.4 | -68 | 0 | 0 | 0 | 0 | 114.1 | D725 A733 R774 | D725-S729 WeakPolarHBondContact O-CB 3.44Å; D725-S729 PolarHBondContact O-N 3.24Å; D725-S729 PolarHBondContact O-OG 3.01Å; D725-S729 VanDerWaalsContact O-OG 3.05Å; D725-S729 PolarHBondContact OD2-OG 3.09Å; S729-A733 WeakPolarHBondContact O-CB 3.45Å; S729-A733 PolarHBondContact O-N 2.93Å; S729-R774 PolarHBondContact OG-NH1 3.41Å; S729-R774 PolarHBondContact OG-NH2 3.03Å |
| 730 | R | 83.8 | Confident | 82.8 | Confident | 21 Ų | 21 | 28.7 Ų | 28.7 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77.4 | -43.8 | 172.5 | -64.3 | 169.5 | -177.7 | 142.7 | 12.1 | 111.5 | A611 I614 T616 R726 T727 I728 A733 Y734 | A611-R730 PolarHBondContact O-NH1 3.11Å; I614-R730 PolarHBondContact O-NH1 2.85Å; T616-R730 PolarHBondContact O-NE 3.38Å; T616-R730 PolarHBondContact O-NH2 3.11Å; R726-R730 WeakPolarHBondContact O-CG 3.26Å; T727-R730 WeakPolarHBondContact O-CB 3.47Å; T727-R730 PolarHBondContact O-N 2.78Å; I728-R730 PolarHBondContact O-N 3.32Å; I728-R730 VanDerWaalsContact O-N 3.07Å; R730-A733 PolarHBondContact O-N 3.4Å; R730-Y734 HydrophobicContact CB-CE2 4.47Å; R730-Y734 WeakPolarHBondContact O-CD2 3.49Å; R730-Y734 PolarHBondContact O-N 2.99Å |
| 731 | L | 85.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.8 | -43.9 | -177.4 | -65.9 | 166.8 | 0 | 0 | 0 | 112.1 | I551 L599 Y603 P607 V608 A611 T727 I728 A733 Y734 T735 | I551-L731 HydrophobicContact CD1-CD2 3.79Å; L599-L731 HydrophobicContact CD1-CD1 4.29Å; L599-L731 HydrophobicContact CD2-CD1 4.42Å; L599-L731 HydrophobicContact CG-CD1 4.44Å; Y603-L731 HydrophobicContact CD1-CB 4.24Å; Y603-L731 HydrophobicContact CD1-CD2 4.45Å; Y603-L731 HydrophobicContact CD2-CB 4.25Å; Y603-L731 HydrophobicContact CD2-CD1 3.77Å; Y603-L731 HydrophobicContact CD2-CG 4.49Å; Y603-L731 HydrophobicContact CE1-CB 3.91Å; Y603-L731 HydrophobicContact CE2-CB 3.91Å; Y603-L731 HydrophobicContact CE2-CD1 4.1Å; Y603-L731 HydrophobicContact CG-CB 4.37Å; Y603-L731 HydrophobicContact CG-CD1 4.08Å; Y603-L731 HydrophobicContact CG-CD2 4.39Å; P607-L731 HydrophobicContact CB-CD2 4.5Å; V608-L731 HydrophobicContact CG2-CD1 4.09Å; A611-L731 HydrophobicContact CB-CD2 3.94Å; A611-L731 HydrophobicContact CB-CG 4.14Å; T727-L731 WeakPolarHBondContact O-CG 3.28Å; T727-L731 PolarHBondContact O-N 3.23Å; I728-L731 PolarHBondContact O-N 2.85Å; L731-A733 VanDerWaalsContact C-N 3.32Å; L731-A733 PolarHBondContact O-N 3.49Å; L731-Y734 PolarHBondContact O-N 3.01Å; L731-T735 PolarHBondContact O-N 2.86Å; L731-T735 PolarHBondContact O-OG1 3.44Å |
| 732 | D | 81.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.9 | -47.9 | 170 | -78.3 | 3.2 | 0 | 0 | 0 | 110.5 | Y603 I728 Y734 T735 R736 S737 T739 R774 | Y603-D732 PolarHBondContact OH-OD1 3.01Å; Y603-D732 VanDerWaalsContact OH-OD1 3.05Å; I728-D732 WeakPolarHBondContact O-CB 3.38Å; I728-D732 PolarHBondContact O-N 3.16Å; D732-Y734 PolarHBondContact O-N 3.09Å; D732-T735 PolarHBondContact O-N 2.96Å; D732-T735 PolarHBondContact O-OG1 3.36Å; D732-R736 VanDerWaalsContact O-CA 3.29Å; D732-R736 WeakPolarHBondContact O-CA 3.47Å; D732-R736 PolarHBondContact O-N 3.31Å; D732-S737 VanDerWaalsContact CB-O 3.26Å; D732-S737 WeakPolarHBondContact CB-O 3.28Å; D732-S737 PolarHBondContact O-N 2.85Å; D732-T739 VanDerWaalsContact CG-OG1 3.28Å; D732-T739 WeakPolarHBondContact OD1-CB 3.26Å; D732-T739 WeakPolarHBondContact OD1-CG2 3.46Å; D732-T739 PolarHBondContact OD1-N 2.85Å; D732-T739 PolarHBondContact OD1-OG1 2.88Å; D732-T739 PolarHBondContact OD2-N 2.77Å; D732-T739 PolarHBondContact OD2-OG1 2.73Å; D732-T739 VanDerWaalsContact OD2-OG1 3.14Å; D732-R774 IonicContact OD2-CZ 3.6Å; D732-R774 VanDerWaalsContact OD2-CZ 3.29Å; D732-R774 IonicContact OD2-NE 3.5Å; D732-R774 PolarHBondContact OD2-NE 2.79Å; D732-R774 IonicContact OD2-NH2 2.7Å; D732-R774 PolarHBondContact OD2-NH2 3.2Å |
| 733 | A | 79.7 | Confident | 82.7 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 4% | 0.041 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.5 | -34.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P556 P557 S729 R730 L731 | P556-A733 HydrophobicContact CB-CB 4.04Å; P557-A733 WeakPolarHBondContact CD-O 3.38Å; P557-A733 VanDerWaalsContact CG-O 3.26Å; P557-A733 WeakPolarHBondContact CG-O 3.37Å; S729-A733 WeakPolarHBondContact O-CB 3.45Å; S729-A733 PolarHBondContact O-N 2.93Å; R730-A733 PolarHBondContact O-N 3.4Å; L731-A733 VanDerWaalsContact C-N 3.32Å; L731-A733 PolarHBondContact O-N 3.49Å |
| 734 | Y | 81.3 | Confident | 82.4 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -76.4 | -30.5 | 175.7 | -73.7 | -61.6 | 0 | 0 | 0 | 113.4 | K550 I551 F554 P556 R627 R730 L731 D732 | K550-Y734 HydrophobicContact CB-CD1 3.78Å; K550-Y734 HydrophobicContact CB-CE1 4.22Å; K550-Y734 HydrophobicContact CB-CG 4.35Å; K550-Y734 WeakPolarHBondContact CD-O 3.44Å; K550-Y734 PolarHBondContact NZ-O 3.49Å; K550-Y734 WeakPolarHBondContact O-CE1 3.24Å; I551-Y734 HydrophobicContact CB-CE2 4.35Å; I551-Y734 HydrophobicContact CD1-CD2 4.48Å; I551-Y734 HydrophobicContact CG1-CD2 3.58Å; I551-Y734 HydrophobicContact CG1-CE2 3.63Å; I551-Y734 HydrophobicContact CG1-CG 4.22Å; F554-Y734 HydrophobicContact CB-CE1 4.5Å; F554-Y734 PolarHBondContact O-OH 3.02Å; P556-Y734 HydrophobicContact CB-CE1 4.33Å; P556-Y734 HydrophobicContact CB-CE2 4.1Å; P556-Y734 WeakPolarHBondContact CD-OH 3.32Å; R627-Y734 PolarHBondContact NH2-OH 3.36Å; R730-Y734 HydrophobicContact CB-CE2 4.47Å; R730-Y734 WeakPolarHBondContact O-CD2 3.49Å; R730-Y734 PolarHBondContact O-N 2.99Å; L731-Y734 PolarHBondContact O-N 3.01Å; D732-Y734 PolarHBondContact O-N 3.09Å |
| 735 | T | 78 | Confident | 81.8 | Confident | 46 Ų | 46 | 23.1 Ų | 23.1 | 28% | 0.282 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -90.8 | -24.6 | -179.8 | 52.3 | 0 | 0 | 0 | 0 | 114 | L547 Y603 L731 D732 S737 | L547-T735 HydrophobicContact CD1-CG2 3.85Å; Y603-T735 HydrophobicContact CD1-CG2 4.28Å; Y603-T735 HydrophobicContact CE1-CG2 3.75Å; L731-T735 PolarHBondContact O-N 2.86Å; L731-T735 PolarHBondContact O-OG1 3.44Å; D732-T735 PolarHBondContact O-N 2.96Å; D732-T735 PolarHBondContact O-OG1 3.36Å; T735-S737 PolarHBondContact OG1-OG 3.44Å |
| 736 | R | 75.5 | Confident | 81 | Confident | 159 Ų | 159 | 23.5 Ų | 23.5 | 60% | 0.6 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 61.3 | -160.7 | -57.6 | -175.4 | 173.5 | 170.9 | -4.5 | 110.7 | L559 C567 P568 D732 | L559-R736 HydrophobicContact CD2-CG 4.32Å; C567-R736 PolarHBondContact SG-O 3.01Å; P568-R736 WeakPolarHBondContact CD-O 3.13Å; D732-R736 VanDerWaalsContact O-CA 3.29Å; D732-R736 WeakPolarHBondContact O-CA 3.47Å; D732-R736 PolarHBondContact O-N 3.31Å |
| 737 | S | 75.5 | Confident | 79.8 | Confident | 12 Ų | 12 | 18.8 Ų | 18.8 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | trans | -129.2 | 162.2 | 171.3 | 64 | 0 | 0 | 0 | 0 | 110.4 | Y603 D732 T735 | Y603-S737 PolarHBondContact OH-OG 2.96Å; D732-S737 VanDerWaalsContact CB-O 3.26Å; D732-S737 WeakPolarHBondContact CB-O 3.28Å; D732-S737 PolarHBondContact O-N 2.85Å; T735-S737 PolarHBondContact OG1-OG 3.44Å | ||
| 738 | Q | 78.2 | Confident | 78.5 | Confident | 30 Ų | 30 | 19.1 Ų | 19.1 | 14% | 0.14 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 101.7 | 170.3 | -170.9 | -171.3 | 43.4 | 0 | 0 | 108.1 | P464 L564 C567 P568 I569 S570 | P464-Q738 PolarHBondContact O-NE2 3.27Å; L564-Q738 HydrophobicContact CD2-CG 4.48Å; C567-Q738 HydrophobicContact CB-CB 4.35Å; P568-Q738 PolarHBondContact O-N 2.91Å; I569-Q738 WeakPolarHBondContact CA-O 3.3Å; I569-Q738 HydrophobicContact CG1-CB 4.37Å; S570-Q738 PolarHBondContact N-O 3.31Å |
| 739 | T | 83.4 | Confident | 77 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 146.6 | 172.5 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | S570 Y603 I728 D732 R774 | S570-T739 CarbonylContact O-C 3.44Å; S570-T739 WeakPolarHBondContact O-CA 3.25Å; S570-T739 VanDerWaalsContact OG-CG2 3.24Å; S570-T739 WeakPolarHBondContact OG-CG2 3.3Å; Y603-T739 HydrophobicContact CE2-CG2 4.03Å; Y603-T739 WeakPolarHBondContact OH-CG2 3.44Å; I728-T739 WeakPolarHBondContact CG2-OG1 3.24Å; D732-T739 VanDerWaalsContact CG-OG1 3.28Å; D732-T739 WeakPolarHBondContact OD1-CB 3.26Å; D732-T739 WeakPolarHBondContact OD1-CG2 3.46Å; D732-T739 PolarHBondContact OD1-N 2.85Å; D732-T739 PolarHBondContact OD1-OG1 2.88Å; D732-T739 PolarHBondContact OD2-N 2.77Å; D732-T739 PolarHBondContact OD2-OG1 2.73Å; D732-T739 VanDerWaalsContact OD2-OG1 3.14Å; T739-R774 WeakPolarHBondContact O-CD 3.43Å |
| 740 | R | 84.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137 | 174.1 | -62.5 | 179.4 | -176.2 | -153.4 | -8.4 | 109 | L461 A463 P464 L468 I569 S570 F571 L572 I776 | L461-R740 PolarHBondContact O-NH1 3.09Å; A463-R740 VanDerWaalsContact O-CZ 3.27Å; A463-R740 PolarHBondContact O-NH1 3.18Å; A463-R740 PolarHBondContact O-NH2 3.02Å; P464-R740 VanDerWaalsContact CA-NH2 3.35Å; P464-R740 PolarHBondContact O-NH2 3.46Å; L468-R740 HydrophobicContact CD1-CG 4.08Å; I569-R740 HydrophobicContact CG2-CG 4.29Å; S570-R740 PolarHBondContact O-N 2.77Å; F571-R740 WeakPolarHBondContact CA-O 3.45Å; F571-R740 HydrophobicContact CD1-CB 3.74Å; F571-R740 HydrophobicContact CE1-CB 3.88Å; F571-R740 HydrophobicContact CE1-CG 4.3Å; L572-R740 PolarHBondContact N-O 3.2Å; R740-I776 HydrophobicContact CB-CD1 4.15Å |
| 741 | L | 87.3 | Confident | 74.5 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 109.8 | -175.7 | -58.6 | -175.2 | 0 | 0 | 0 | 109.4 | L572 L595 L724 I728 R774 F775 I776 | L572-L741 HydrophobicContact CB-CD2 3.89Å; L572-L741 HydrophobicContact CD1-CD2 4Å; L572-L741 HydrophobicContact CG-CD2 4.38Å; L595-L741 HydrophobicContact CD2-CB 4.37Å; L595-L741 HydrophobicContact CD2-CD2 4.35Å; L724-L741 HydrophobicContact CD2-CD1 3.88Å; L724-L741 HydrophobicContact CG-CD1 4.32Å; I728-L741 HydrophobicContact CD1-CD1 3.71Å; I728-L741 HydrophobicContact CD1-CD2 3.94Å; I728-L741 HydrophobicContact CD1-CG 4.21Å; L741-R774 HydrophobicContact CG-CB 4.36Å; L741-R774 PolarHBondContact N-O 3.25Å; L741-F775 HydrophobicContact CB-CD1 3.74Å; L741-F775 HydrophobicContact CB-CE1 3.92Å; L741-F775 HydrophobicContact CD1-CD1 4.05Å; L741-F775 HydrophobicContact CD1-CE1 3.39Å; L741-F775 HydrophobicContact CD1-CZ 3.85Å; L741-F775 HydrophobicContact CG-CE1 4.28Å; L741-F775 WeakPolarHBondContact O-CA 3.48Å; L741-I776 PolarHBondContact O-N 3.4Å |
| 742 | V | 86.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.8 | -175.2 | -171.7 | 0 | 0 | 0 | 0 | 110 | L493 F571 L572 F573 A574 L744 I776 L778 | L493-V742 HydrophobicContact CD1-CG1 4.42Å; L493-V742 HydrophobicContact CD1-CG2 4.48Å; F571-V742 HydrophobicContact CB-CG2 4.11Å; F571-V742 HydrophobicContact CD1-CG2 3.59Å; F571-V742 HydrophobicContact CE1-CG2 4.5Å; F571-V742 HydrophobicContact CG-CG2 4.26Å; L572-V742 PolarHBondContact O-N 3.02Å; F573-V742 WeakPolarHBondContact CA-O 3.43Å; F573-V742 HydrophobicContact CD1-CB 3.6Å; F573-V742 HydrophobicContact CD1-CG1 3.81Å; F573-V742 HydrophobicContact CD1-CG2 4.19Å; F573-V742 HydrophobicContact CE1-CB 3.84Å; F573-V742 HydrophobicContact CE1-CG1 3.89Å; F573-V742 HydrophobicContact CE1-CG2 3.96Å; F573-V742 HydrophobicContact CG-CB 4.37Å; A574-V742 PolarHBondContact N-O 2.95Å; V742-L744 HydrophobicContact CG1-CD2 4.45Å; V742-L744 HydrophobicContact CG1-CG 4.35Å; V742-I776 CarbonylContact C-O 3.57Å; V742-I776 WeakPolarHBondContact CA-O 3.49Å; V742-I776 HydrophobicContact CG2-CB 4.44Å; V742-L778 HydrophobicContact CG1-CD1 3.81Å; V742-L778 HydrophobicContact CG1-CG 4.22Å |
| 743 | I | 82.8 | Confident | 72.2 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116.8 | 177.9 | -55.9 | 178 | 0 | 0 | 0 | 107.6 | I591 M745 F767 F775 I776 V777 L778 | I591-I743 HydrophobicContact CD1-CG2 4.25Å; I591-I743 HydrophobicContact CG2-CD1 4.17Å; I591-I743 HydrophobicContact CG2-CG1 4.37Å; I591-I743 HydrophobicContact CG2-CG2 4.21Å; I743-M745 HydrophobicContact CG2-CG 3.8Å; I743-M745 HydrophobicContact CG2-SD 4.16Å; I743-F767 HydrophobicContact CD1-CD1 3.6Å; I743-F767 HydrophobicContact CD1-CD2 3.71Å; I743-F767 HydrophobicContact CD1-CE1 3.55Å; I743-F767 HydrophobicContact CD1-CE2 3.67Å; I743-F767 HydrophobicContact CD1-CG 3.67Å; I743-F767 HydrophobicContact CD1-CZ 3.59Å; I743-F775 HydrophobicContact CD1-CD1 4Å; I743-I776 PolarHBondContact N-O 2.79Å; I743-V777 HydrophobicContact CB-CG1 4.47Å; I743-L778 PolarHBondContact O-N 3.25Å |
| 744 | L | 78.4 | Confident | 71.3 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 105.3 | -177.5 | -68 | 159.9 | 0 | 0 | 0 | 109.1 | L486 K490 F573 V742 L778 | L486-L744 HydrophobicContact CB-CD2 4.35Å; L486-L744 HydrophobicContact CD2-CD2 3.85Å; K490-L744 HydrophobicContact CB-CD1 4.12Å; K490-L744 HydrophobicContact CD-CD1 3.75Å; K490-L744 HydrophobicContact CG-CD1 4.18Å; F573-L744 HydrophobicContact CD1-CD1 4Å; V742-L744 HydrophobicContact CG1-CD2 4.45Å; V742-L744 HydrophobicContact CG1-CG 4.35Å; L744-L778 HydrophobicContact CD2-CB 4.22Å; L744-L778 HydrophobicContact CD2-CD1 3.8Å |
| 745 | M | 73.1 | Confident | 70.4 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 106 | -175.8 | -51.6 | -162.8 | 77.7 | 0 | 0 | 110.3 | L579 I591 I743 V763 V777 L778 I779 S780 | L579-M745 HydrophobicContact CD1-CE 3.49Å; L579-M745 VanDerWaalsContact CD1-CE 3.49Å; L579-M745 HydrophobicContact CD2-CE 3.74Å; L579-M745 HydrophobicContact CG-CE 4.28Å; I591-M745 HydrophobicContact CD1-CE 4.33Å; I743-M745 HydrophobicContact CG2-CG 3.8Å; I743-M745 HydrophobicContact CG2-SD 4.16Å; M745-V763 HydrophobicContact CE-CG2 3.63Å; M745-V763 HydrophobicContact SD-CB 4.45Å; M745-V763 HydrophobicContact SD-CG1 3.73Å; M745-V763 HydrophobicContact SD-CG2 3.84Å; M745-V777 HydrophobicContact CG-CG1 4.2Å; M745-V777 HydrophobicContact SD-CG1 3.79Å; M745-L778 PolarHBondContact N-O 3.32Å; M745-I779 HydrophobicContact CB-CB 4.43Å; M745-I779 HydrophobicContact CB-CG1 4.22Å; M745-I779 HydrophobicContact CB-CG2 4.2Å; M745-I779 HydrophobicContact CG-CG1 4.48Å; M745-I779 WeakPolarHBondContact O-CA 3.47Å; M745-I779 HydrophobicContact SD-CG1 4.46Å; M745-S780 PolarHBondContact O-N 3.36Å |
| 746 | D | 69.4 | Low | 69.8 | Low | 36 Ų | 36 | 36.4 Ų | 36.4 | 19% | 0.193 | 19% | 0.194 | C | C | . | . | trans | -114.3 | 153.7 | -177.5 | -170.7 | 8.3 | 0 | 0 | 0 | 110.1 | A483 L486 S780 | A483-D746 WeakPolarHBondContact CA-OD2 3.35Å; A483-D746 WeakPolarHBondContact CB-OD2 3.34Å; L486-D746 HydrophobicContact CD1-CB 3.77Å; D746-S780 PolarHBondContact OD1-OG 3.38Å | ||
| 747 | G | 59.4 | Low | 69.2 | Low | 22 Ų | 22 | 31.4 Ų | 31.4 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | trans | 86.3 | 21.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119 | D749 | G747-D749 PolarHBondContact O-N 3.2Š| ||
| 748 | L | 57.2 | Low | 68.7 | Low | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -61.9 | -10.4 | 172.4 | -77.1 | 176.4 | 0 | 0 | 0 | 114.3 | S750 C751 I756 L760 I779 V781 | L748-S750 PolarHBondContact O-N 3.26Å; L748-C751 PolarHBondContact O-N 2.59Å; L748-I756 HydrophobicContact CD1-CG2 4.26Å; L748-I756 HydrophobicContact CD2-CG1 4.3Å; L748-I756 HydrophobicContact CD2-CG2 4.11Å; L748-I756 WeakPolarHBondContact O-CD1 3.29Å; L748-L760 HydrophobicContact CD1-CD2 4.27Å; L748-I779 HydrophobicContact CD1-CG2 3.75Å; L748-V781 HydrophobicContact CD1-CG1 4.42Å; L748-V781 HydrophobicContact CD1-CG2 4.17Å |
| 749 | D | 55.5 | Low | 68.3 | Low | 82 Ų | 82 | 36.3 Ų | 36.3 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -58.2 | -13.3 | 178.9 | -67.3 | 9.4 | 0 | 0 | 0 | 115.6 | K482 G747 | K482-D749 WeakPolarHBondContact CD-OD2 3.41Å; K482-D749 IonicContact NZ-OD1 3.86Å; K482-D749 PolarHBondContact NZ-OD1 3.34Å; K482-D749 IonicContact NZ-OD2 2.7Å; K482-D749 PolarHBondContact NZ-OD2 3.32Å; G747-D749 PolarHBondContact O-N 3.2Å |
| 750 | S | 56.7 | Low | 67.7 | Low | 74 Ų | 74 | 39 Ų | 39 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -109 | -8.5 | -175.4 | 62 | 0 | 0 | 0 | 0 | 115.3 | N581 L748 | N581-S750 PolarHBondContact ND2-O 3.04Å; N581-S750 PolarHBondContact OD1-O 3.11Å; N581-S750 VanDerWaalsContact OD1-O 3.13Å; L748-S750 PolarHBondContact O-N 3.26Å |
| 751 | C | 56.7 | Low | 66.9 | Low | 18 Ų | 18 | 43 Ų | 43 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.3 | 146 | -170.8 | -74.8 | 0 | 0 | 0 | 0 | 113.5 | N581 L748 G753 I756 | N581-C751 PolarHBondContact OD1-SG 2.94Å; N581-C751 VanDerWaalsContact OD1-SG 3.37Å; L748-C751 PolarHBondContact O-N 2.59Å; C751-G753 PolarHBondContact O-N 2.84Å; C751-I756 HydrophobicContact CB-CD1 3.68Å; C751-I756 HydrophobicContact CB-CG1 3.28Å; C751-I756 WeakPolarHBondContact O-CD1 3.48Å |
| 752 | E | 59.8 | Low | 66.3 | Low | 105 Ų | 105 | 43.1 Ų | 43.1 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | trans | -60.5 | 131.1 | 168.6 | -62.4 | 178.2 | 143.6 | 0 | 0 | 110 | S754 R755 I756 | E752-S754 PolarHBondContact O-N 2.87Å; E752-R755 HydrophobicContact CB-CG 4.31Å; E752-R755 PolarHBondContact O-N 3.23Å; E752-R755 IonicContact OE2-CZ 3.87Å; E752-R755 IonicContact OE2-NE 2.66Å; E752-R755 PolarHBondContact OE2-NE 3Å; E752-R755 IonicContact OE2-NH2 2.79Å; E752-R755 PolarHBondContact OE2-NH2 3.32Å; E752-I756 PolarHBondContact O-N 3.38Å; E752-I756 VanDerWaalsContact O-N 3.15Å | ||
| 753 | G | 58.1 | Low | 65.8 | Low | 18 Ų | 18 | 43.1 Ų | 43.1 | 19% | 0.186 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -26.5 | -169 | 0 | 0 | 0 | 0 | 0 | 115.6 | C751 | C751-G753 PolarHBondContact O-N 2.84Å |
| 754 | S | 60.3 | Low | 65.4 | Low | 72 Ų | 72 | 48.8 Ų | 48.8 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.3 | -42.7 | 173 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | E752 I756 V757 Q758 | E752-S754 PolarHBondContact O-N 2.87Å; S754-I756 VanDerWaalsContact C-N 3.31Å; S754-I756 PolarHBondContact O-N 3.17Å; S754-V757 PolarHBondContact O-N 3.42Å; S754-Q758 PolarHBondContact O-N 3.31Å |
| 755 | R | 63.3 | Low | 65.2 | Low | 99 Ų | 99 | 49.9 Ų | 49.9 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 177.1 | -63.1 | -171.6 | -167.5 | -131.4 | -8.7 | 111.4 | N581 E752 V757 Q758 T759 | N581-R755 PolarHBondContact O-NH1 2.83Å; E752-R755 HydrophobicContact CB-CG 4.31Å; E752-R755 PolarHBondContact O-N 3.23Å; E752-R755 IonicContact OE2-CZ 3.87Å; E752-R755 IonicContact OE2-NE 2.66Å; E752-R755 PolarHBondContact OE2-NE 3Å; E752-R755 IonicContact OE2-NH2 2.79Å; E752-R755 PolarHBondContact OE2-NH2 3.32Å; R755-V757 VanDerWaalsContact C-N 3.31Å; R755-V757 PolarHBondContact O-N 3.39Å; R755-Q758 WeakPolarHBondContact O-CB 3.4Å; R755-Q758 PolarHBondContact O-N 3.32Å; R755-T759 WeakPolarHBondContact O-CG2 3.37Å; R755-T759 PolarHBondContact O-N 2.86Å |
| 756 | I | 64.3 | Low | 65.5 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.6 | -48 | 177.4 | -64.6 | 179 | 0 | 0 | 0 | 110.8 | L748 C751 E752 S754 Q758 T759 L760 V785 | L748-I756 HydrophobicContact CD1-CG2 4.26Å; L748-I756 HydrophobicContact CD2-CG1 4.3Å; L748-I756 HydrophobicContact CD2-CG2 4.11Å; L748-I756 WeakPolarHBondContact O-CD1 3.29Å; C751-I756 HydrophobicContact CB-CD1 3.68Å; C751-I756 HydrophobicContact CB-CG1 3.28Å; C751-I756 WeakPolarHBondContact O-CD1 3.48Å; E752-I756 PolarHBondContact O-N 3.38Å; E752-I756 VanDerWaalsContact O-N 3.15Å; S754-I756 VanDerWaalsContact C-N 3.31Å; S754-I756 PolarHBondContact O-N 3.17Å; I756-Q758 VanDerWaalsContact C-N 3.35Å; I756-Q758 PolarHBondContact O-N 3.28Å; I756-T759 PolarHBondContact O-N 3.36Å; I756-T759 VanDerWaalsContact O-N 3.12Å; I756-T759 PolarHBondContact O-OG1 2.93Å; I756-L760 HydrophobicContact CG2-CD1 3.85Å; I756-L760 HydrophobicContact CG2-CG 4.29Å; I756-L760 WeakPolarHBondContact O-CG 3.39Å; I756-L760 PolarHBondContact O-N 2.65Å; I756-V785 HydrophobicContact CB-CG1 4.43Å; I756-V785 HydrophobicContact CD1-CB 4.22Å; I756-V785 HydrophobicContact CD1-CG1 3.48Å; I756-V785 VanDerWaalsContact CD1-CG1 3.48Å; I756-V785 HydrophobicContact CD1-CG2 3.64Å; I756-V785 HydrophobicContact CG2-CG1 3.83Å |
| 757 | V | 63.4 | Low | 65.9 | Low | 54 Ų | 54 | 47.9 Ų | 47.9 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | S754 R755 T759 L760 D761 A789 | S754-V757 PolarHBondContact O-N 3.42Å; R755-V757 VanDerWaalsContact C-N 3.31Å; R755-V757 PolarHBondContact O-N 3.39Å; V757-T759 VanDerWaalsContact C-N 3.31Å; V757-T759 PolarHBondContact O-N 3.36Å; V757-L760 PolarHBondContact O-N 3.27Å; V757-L760 VanDerWaalsContact O-N 3.1Å; V757-D761 VanDerWaalsContact O-CG 3.3Å; V757-D761 PolarHBondContact O-N 3.12Å; V757-A789 HydrophobicContact CG2-CB 4.11Å |
| 758 | Q | 65.5 | Low | 66.3 | Low | 129 Ų | 129 | 48 Ų | 48 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.9 | -38 | 176.2 | -64.4 | 176.7 | -24.7 | 0 | 0 | 113.1 | S754 R755 I756 A762 | S754-Q758 PolarHBondContact O-N 3.31Å; R755-Q758 WeakPolarHBondContact O-CB 3.4Å; R755-Q758 PolarHBondContact O-N 3.32Å; I756-Q758 VanDerWaalsContact C-N 3.35Å; I756-Q758 PolarHBondContact O-N 3.28Å; Q758-A762 WeakPolarHBondContact O-CB 3.43Å; Q758-A762 PolarHBondContact O-N 3.09Å |
| 759 | T | 69 | Low | 66.5 | Low | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | 175.1 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | L579 C584 R755 I756 V757 A762 V763 | L579-T759 HydrophobicContact CD2-CG2 4.38Å; C584-T759 HydrophobicContact CB-CG2 4.05Å; R755-T759 WeakPolarHBondContact O-CG2 3.37Å; R755-T759 PolarHBondContact O-N 2.86Å; I756-T759 PolarHBondContact O-N 3.36Å; I756-T759 VanDerWaalsContact O-N 3.12Å; I756-T759 PolarHBondContact O-OG1 2.93Å; V757-T759 VanDerWaalsContact C-N 3.31Å; V757-T759 PolarHBondContact O-N 3.36Å; T759-A762 PolarHBondContact O-N 3.25Å; T759-V763 WeakPolarHBondContact O-CG2 3.23Å; T759-V763 PolarHBondContact O-N 3.43Å |
| 760 | L | 70.4 | Confident | 66.8 | Low | 59 Ų | 59 | 54.3 Ų | 54.3 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 177.5 | -68.7 | 172 | 0 | 0 | 0 | 111.1 | L748 I756 V757 A762 V763 Q764 I779 | L748-L760 HydrophobicContact CD1-CD2 4.27Å; I756-L760 HydrophobicContact CG2-CD1 3.85Å; I756-L760 HydrophobicContact CG2-CG 4.29Å; I756-L760 WeakPolarHBondContact O-CG 3.39Å; I756-L760 PolarHBondContact O-N 2.65Å; V757-L760 PolarHBondContact O-N 3.27Å; V757-L760 VanDerWaalsContact O-N 3.1Å; L760-A762 VanDerWaalsContact C-N 3.34Å; L760-A762 PolarHBondContact O-N 3.41Å; L760-V763 PolarHBondContact O-N 3.5Å; L760-Q764 WeakPolarHBondContact O-CB 3.38Å; L760-Q764 PolarHBondContact O-N 3.23Å; L760-I779 HydrophobicContact CD2-CD1 3.78Å |
| 761 | D | 68.7 | Low | 66.6 | Low | 84 Ų | 84 | 59.8 Ų | 59.8 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 173 | -69.1 | -27.6 | 0 | 0 | 0 | 111 | V757 V763 Q764 V765 | V757-D761 VanDerWaalsContact O-CG 3.3Å; V757-D761 PolarHBondContact O-N 3.12Å; D761-V763 PolarHBondContact O-N 3.01Å; D761-Q764 PolarHBondContact O-N 2.93Å; D761-V765 WeakPolarHBondContact O-CB 3.35Å; D761-V765 VanDerWaalsContact O-CG2 3.24Å; D761-V765 WeakPolarHBondContact O-CG2 3.31Å; D761-V765 PolarHBondContact O-N 2.92Å |
| 762 | A | 74.1 | Confident | 66.6 | Low | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L588 F710 M714 Q758 T759 L760 V765 L766 | L588-A762 HydrophobicContact CD1-CB 4Å; F710-A762 HydrophobicContact CZ-CB 4.04Å; M714-A762 HydrophobicContact CE-CB 3.73Å; M714-A762 WeakPolarHBondContact CE-O 3.32Å; Q758-A762 WeakPolarHBondContact O-CB 3.43Å; Q758-A762 PolarHBondContact O-N 3.09Å; T759-A762 PolarHBondContact O-N 3.25Å; L760-A762 VanDerWaalsContact C-N 3.34Å; L760-A762 PolarHBondContact O-N 3.41Å; A762-V765 PolarHBondContact O-N 3.18Å; A762-L766 PolarHBondContact O-N 3Å |
| 763 | V | 76.2 | Confident | 67 | Low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 175.8 | 175 | 0 | 0 | 0 | 0 | 110.7 | F471 L588 M745 T759 L760 D761 L766 F767 V777 | F471-V763 HydrophobicContact CE1-CG1 3.99Å; L588-V763 HydrophobicContact CD2-CG2 3.88Å; M745-V763 HydrophobicContact CE-CG2 3.63Å; M745-V763 HydrophobicContact SD-CB 4.45Å; M745-V763 HydrophobicContact SD-CG1 3.73Å; M745-V763 HydrophobicContact SD-CG2 3.84Å; T759-V763 WeakPolarHBondContact O-CG2 3.23Å; T759-V763 PolarHBondContact O-N 3.43Å; L760-V763 PolarHBondContact O-N 3.5Å; D761-V763 PolarHBondContact O-N 3.01Å; V763-L766 PolarHBondContact O-N 3.4Å; V763-F767 HydrophobicContact CB-CD2 4.48Å; V763-F767 HydrophobicContact CG1-CD2 3.81Å; V763-F767 HydrophobicContact CG1-CE2 4.38Å; V763-F767 WeakPolarHBondContact O-CD2 3.4Å; V763-F767 PolarHBondContact O-N 3.28Å; V763-V777 HydrophobicContact CG1-CG1 3.94Å |
| 764 | Q | 73.6 | Confident | 67.8 | Low | 120 Ų | 120 | 61.8 Ų | 61.8 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66 | -36.3 | 174.5 | -175.4 | 174 | -17.3 | 0 | 0 | 112.1 | L760 D761 G768 | L760-Q764 WeakPolarHBondContact O-CB 3.38Å; L760-Q764 PolarHBondContact O-N 3.23Å; D761-Q764 PolarHBondContact O-N 2.93Å; Q764-G768 WeakPolarHBondContact O-CA 3.38Å; Q764-G768 PolarHBondContact O-N 2.86Å |
| 765 | V | 75.4 | Confident | 68.9 | Low | 35 Ų | 35 | 58.4 Ų | 58.4 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 173.5 | 161 | 0 | 0 | 0 | 0 | 111.6 | M714 D761 A762 R769 | M714-V765 HydrophobicContact CE-CB 4.19Å; M714-V765 HydrophobicContact CE-CG1 3.81Å; D761-V765 WeakPolarHBondContact O-CB 3.35Å; D761-V765 VanDerWaalsContact O-CG2 3.24Å; D761-V765 WeakPolarHBondContact O-CG2 3.31Å; D761-V765 PolarHBondContact O-N 2.92Å; A762-V765 PolarHBondContact O-N 3.18Å; V765-R769 WeakPolarHBondContact O-CB 3.49Å; V765-R769 VanDerWaalsContact O-CD 3.29Å; V765-R769 WeakPolarHBondContact O-CD 3.4Å; V765-R769 VanDerWaalsContact O-CG 3.26Å; V765-R769 WeakPolarHBondContact O-CG 3.45Å |
| 766 | L | 78 | Confident | 69.7 | Low | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.4 | -46.8 | -176 | -74.9 | 164.8 | 0 | 0 | 0 | 113.1 | L588 M714 L717 V721 A762 V763 | L588-L766 HydrophobicContact CB-CD1 4.2Å; L588-L766 HydrophobicContact CD1-CD1 3.92Å; L588-L766 HydrophobicContact CD2-CD1 3.95Å; L588-L766 HydrophobicContact CG-CD1 4.24Å; M714-L766 HydrophobicContact CE-CD1 3.77Å; M714-L766 HydrophobicContact CE-CD2 4.36Å; M714-L766 HydrophobicContact CE-CG 3.7Å; M714-L766 HydrophobicContact SD-CD1 3.89Å; M714-L766 HydrophobicContact SD-CG 4.28Å; L717-L766 HydrophobicContact CB-CD2 3.63Å; L717-L766 HydrophobicContact CD1-CD1 4.23Å; V721-L766 HydrophobicContact CG2-CD2 4.39Å; A762-L766 PolarHBondContact O-N 3Å; V763-L766 PolarHBondContact O-N 3.4Å |
| 767 | F | 77.4 | Confident | 70.4 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -105.3 | -17.3 | -169.7 | -52.1 | -63.9 | 0 | 0 | 0 | 113.6 | P469 L588 I591 V721 I743 V763 F775 V777 | P469-F767 WeakPolarHBondContact CB-O 3.5Å; L588-F767 HydrophobicContact CD2-CE2 4.3Å; I591-F767 HydrophobicContact CG2-CZ 4.08Å; V721-F767 HydrophobicContact CG2-CE1 4.31Å; I743-F767 HydrophobicContact CD1-CD1 3.6Å; I743-F767 HydrophobicContact CD1-CD2 3.71Å; I743-F767 HydrophobicContact CD1-CE1 3.55Å; I743-F767 HydrophobicContact CD1-CE2 3.67Å; I743-F767 HydrophobicContact CD1-CG 3.67Å; I743-F767 HydrophobicContact CD1-CZ 3.59Å; V763-F767 HydrophobicContact CB-CD2 4.48Å; V763-F767 HydrophobicContact CG1-CD2 3.81Å; V763-F767 HydrophobicContact CG1-CE2 4.38Å; V763-F767 WeakPolarHBondContact O-CD2 3.4Å; V763-F767 PolarHBondContact O-N 3.28Å; F767-F775 HydrophobicContact CB-CB 4.06Å; F767-F775 HydrophobicContact CB-CD1 4.45Å; F767-F775 HydrophobicContact CB-CD2 4.11Å; F767-F775 HydrophobicContact CB-CG 3.95Å; F767-F775 AromaticContact CD1-CD1 3.64Å; F767-F775 HydrophobicContact CD1-CD1 3.64Å; F767-F775 HydrophobicContact CD1-CD2 4.09Å; F767-F775 AromaticContact CD1-CE1 3.6Å; F767-F775 HydrophobicContact CD1-CE1 3.6Å; F767-F775 HydrophobicContact CD1-CE2 4.08Å; F767-F775 AromaticContact CD1-CG 3.91Å; F767-F775 HydrophobicContact CD1-CG 3.91Å; F767-F775 AromaticContact CD1-CZ 3.87Å; F767-F775 HydrophobicContact CD1-CZ 3.87Å; F767-F775 HydrophobicContact CE1-CD1 4.34Å; F767-F775 AromaticContact CE1-CE1 3.99Å; F767-F775 HydrophobicContact CE1-CE1 3.99Å; F767-F775 HydrophobicContact CE1-CZ 4.35Å; F767-F775 HydrophobicContact CG-CD1 4.34Å; F767-F775 HydrophobicContact CG-CG 4.32Å; F767-V777 HydrophobicContact CB-CG2 4.18Å |
| 768 | G | 67.7 | Low | 70.9 | Confident | 26 Ų | 26 | 51 Ų | 51 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -90.6 | -20 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q764 | Q764-G768 WeakPolarHBondContact O-CA 3.38Å; Q764-G768 PolarHBondContact O-N 2.86Å |
| 769 | R | 63.2 | Low | 71.2 | Confident | 176 Ų | 176 | 45.4 Ų | 45.4 | 66% | 0.664 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -77 | -33.6 | -173.3 | -77.4 | -174.2 | 172.8 | 169.1 | -2 | 117.7 | V765 Q771 | V765-R769 WeakPolarHBondContact O-CB 3.49Å; V765-R769 VanDerWaalsContact O-CD 3.29Å; V765-R769 WeakPolarHBondContact O-CD 3.4Å; V765-R769 VanDerWaalsContact O-CG 3.26Å; V765-R769 WeakPolarHBondContact O-CG 3.45Å; R769-Q771 PolarHBondContact O-N 2.91Å |
| 770 | P | 60 | Low | 71.2 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 29% | 0.292 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -77.7 | 121.5 | -173.6 | -3.2 | 17.6 | 0 | 0 | 0 | 111.4 | N772 S773 | P770-N772 PolarHBondContact O-N 3.44Å; P770-S773 WeakPolarHBondContact O-CB 3.25Å; P770-S773 PolarHBondContact O-N 3.4Å |
| 771 | Q | 54.4 | Low | 70.8 | Confident | 189 Ų | 189 | 42.4 Ų | 42.4 | 88% | 0.883 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 126 | 169.5 | -65.9 | 179.3 | -5.3 | 0 | 0 | 109 | R769 | R769-Q771 PolarHBondContact O-N 2.91Š|
| 772 | N | 56.2 | Low | 70.3 | Confident | 148 Ų | 148 | 39.9 Ų | 39.9 | 79% | 0.791 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 31.1 | -170.8 | -56.1 | -24.9 | 0 | 0 | 0 | 115.6 | P770 | P770-N772 PolarHBondContact O-N 3.44Š|
| 773 | S | 66.9 | Low | 69.5 | Low | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | trans | -64.5 | 162.5 | 170.3 | 86.5 | 0 | 0 | 0 | 0 | 113 | L468 P469 P770 | L468-S773 CarbonylContact C-O 3.52Å; L468-S773 WeakPolarHBondContact CB-O 3.31Å; P469-S773 WeakPolarHBondContact CB-OG 3.4Å; P469-S773 WeakPolarHBondContact CD-OG 3.31Å; P770-S773 WeakPolarHBondContact O-CB 3.25Å; P770-S773 PolarHBondContact O-N 3.4Å | ||
| 774 | R | 76.6 | Confident | 68.6 | Low | 32 Ų | 32 | 48 Ų | 48 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | trans | -96.2 | 11 | 179.9 | -70.9 | 174.6 | 172.7 | 71.9 | -0.5 | 115.6 | D725 S729 D732 T739 L741 | D725-R774 WeakPolarHBondContact OD1-CG 3.07Å; D725-R774 IonicContact OD1-CZ 3.86Å; D725-R774 IonicContact OD1-NH1 2.79Å; D725-R774 PolarHBondContact OD1-NH1 2.97Å; D725-R774 IonicContact OD2-NH1 3.76Å; D725-R774 PolarHBondContact OD2-NH1 3.46Å; D725-R774 VanDerWaalsContact OD2-NH1 3.11Å; S729-R774 PolarHBondContact OG-NH1 3.41Å; S729-R774 PolarHBondContact OG-NH2 3.03Å; D732-R774 IonicContact OD2-CZ 3.6Å; D732-R774 VanDerWaalsContact OD2-CZ 3.29Å; D732-R774 IonicContact OD2-NE 3.5Å; D732-R774 PolarHBondContact OD2-NE 2.79Å; D732-R774 IonicContact OD2-NH2 2.7Å; D732-R774 PolarHBondContact OD2-NH2 3.2Å; T739-R774 WeakPolarHBondContact O-CD 3.43Å; L741-R774 HydrophobicContact CG-CB 4.36Å; L741-R774 PolarHBondContact N-O 3.25Å | ||
| 775 | F | 82.7 | Confident | 67.8 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134 | -167.4 | -62.2 | -73.1 | 0 | 0 | 0 | 114.2 | P469 I470 L595 V721 L741 I743 F767 | P469-F775 VanDerWaalsContact CA-O 3.25Å; P469-F775 WeakPolarHBondContact CA-O 3.39Å; P469-F775 HydrophobicContact CB-CB 4.33Å; I470-F775 PolarHBondContact N-O 3.02Å; L595-F775 HydrophobicContact CD1-CE1 4.36Å; V721-F775 HydrophobicContact CG1-CE2 3.84Å; V721-F775 HydrophobicContact CG1-CZ 3.76Å; L741-F775 HydrophobicContact CB-CD1 3.74Å; L741-F775 HydrophobicContact CB-CE1 3.92Å; L741-F775 HydrophobicContact CD1-CD1 4.05Å; L741-F775 HydrophobicContact CD1-CE1 3.39Å; L741-F775 HydrophobicContact CD1-CZ 3.85Å; L741-F775 HydrophobicContact CG-CE1 4.28Å; L741-F775 WeakPolarHBondContact O-CA 3.48Å; I743-F775 HydrophobicContact CD1-CD1 4Å; F767-F775 HydrophobicContact CB-CB 4.06Å; F767-F775 HydrophobicContact CB-CD1 4.45Å; F767-F775 HydrophobicContact CB-CD2 4.11Å; F767-F775 HydrophobicContact CB-CG 3.95Å; F767-F775 AromaticContact CD1-CD1 3.64Å; F767-F775 HydrophobicContact CD1-CD1 3.64Å; F767-F775 HydrophobicContact CD1-CD2 4.09Å; F767-F775 AromaticContact CD1-CE1 3.6Å; F767-F775 HydrophobicContact CD1-CE1 3.6Å; F767-F775 HydrophobicContact CD1-CE2 4.08Å; F767-F775 AromaticContact CD1-CG 3.91Å; F767-F775 HydrophobicContact CD1-CG 3.91Å; F767-F775 AromaticContact CD1-CZ 3.87Å; F767-F775 HydrophobicContact CD1-CZ 3.87Å; F767-F775 HydrophobicContact CE1-CD1 4.34Å; F767-F775 AromaticContact CE1-CE1 3.99Å; F767-F775 HydrophobicContact CE1-CE1 3.99Å; F767-F775 HydrophobicContact CE1-CZ 4.35Å; F767-F775 HydrophobicContact CG-CD1 4.34Å; F767-F775 HydrophobicContact CG-CG 4.32Å |
| 776 | I | 80.8 | Confident | 67 | Low | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.4 | 166.3 | -63.9 | 169.7 | 0 | 0 | 0 | 106.6 | L461 L468 F571 R740 L741 V742 I743 L778 | L461-I776 HydrophobicContact CD1-CG2 4.34Å; L461-I776 HydrophobicContact CD2-CD1 4.27Å; L461-I776 HydrophobicContact CD2-CG2 3.81Å; L468-I776 HydrophobicContact CD1-CG1 4.45Å; L468-I776 HydrophobicContact CD2-CD1 4.28Å; L468-I776 HydrophobicContact CD2-CG1 3.61Å; F571-I776 HydrophobicContact CE1-CD1 4.02Å; R740-I776 HydrophobicContact CB-CD1 4.15Å; L741-I776 PolarHBondContact O-N 3.4Å; V742-I776 CarbonylContact C-O 3.57Å; V742-I776 WeakPolarHBondContact CA-O 3.49Å; V742-I776 HydrophobicContact CG2-CB 4.44Å; I743-I776 PolarHBondContact N-O 2.79Å; I776-L778 HydrophobicContact CG2-CD2 3.69Å; I776-L778 HydrophobicContact CG2-CG 4.03Å |
| 777 | V | 77.8 | Confident | 65.9 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.3 | 178.7 | -167.7 | 0 | 0 | 0 | 0 | 108.7 | I470 F471 V472 I743 M745 V763 F767 I779 | I470-V777 PolarHBondContact O-N 3.07Å; F471-V777 CarbonylContact C-O 3.59Å; F471-V777 WeakPolarHBondContact CA-O 3.4Å; F471-V777 HydrophobicContact CD1-CB 3.78Å; F471-V777 HydrophobicContact CD1-CG1 4.14Å; F471-V777 HydrophobicContact CD1-CG2 4.09Å; F471-V777 HydrophobicContact CE1-CB 3.95Å; F471-V777 HydrophobicContact CE1-CG1 4.2Å; F471-V777 HydrophobicContact CE1-CG2 3.77Å; F471-V777 HydrophobicContact CE2-CG2 4.46Å; F471-V777 HydrophobicContact CG-CB 4.28Å; F471-V777 HydrophobicContact CZ-CG2 3.95Å; V472-V777 PolarHBondContact N-O 3.11Å; I743-V777 HydrophobicContact CB-CG1 4.47Å; M745-V777 HydrophobicContact CG-CG1 4.2Å; M745-V777 HydrophobicContact SD-CG1 3.79Å; V763-V777 HydrophobicContact CG1-CG1 3.94Å; F767-V777 HydrophobicContact CB-CG2 4.18Å; V777-I779 HydrophobicContact CG1-CD1 3.93Å; V777-I779 HydrophobicContact CG1-CG1 3.71Å |
| 778 | L | 75.3 | Confident | 64.9 | Low | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.9 | 178.9 | -54.7 | -178.8 | 0 | 0 | 0 | 108 | L461 V472 L486 V489 L493 V742 I743 L744 M745 I776 | L461-L778 HydrophobicContact CD1-CD1 4.48Å; L461-L778 HydrophobicContact CD1-CD2 3.88Å; V472-L778 HydrophobicContact CB-CD2 3.65Å; V472-L778 HydrophobicContact CG1-CD2 4.43Å; V472-L778 HydrophobicContact CG2-CD2 3.62Å; L486-L778 HydrophobicContact CD2-CB 3.72Å; V489-L778 HydrophobicContact CG1-CD1 3.69Å; L493-L778 HydrophobicContact CD1-CD1 4.41Å; V742-L778 HydrophobicContact CG1-CD1 3.81Å; V742-L778 HydrophobicContact CG1-CG 4.22Å; I743-L778 PolarHBondContact O-N 3.25Å; L744-L778 HydrophobicContact CD2-CB 4.22Å; L744-L778 HydrophobicContact CD2-CD1 3.8Å; M745-L778 PolarHBondContact N-O 3.32Å; I776-L778 HydrophobicContact CG2-CD2 3.69Å; I776-L778 HydrophobicContact CG2-CG 4.03Å |
| 779 | I | 71 | Confident | 64.3 | Low | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.9 | -172.5 | -45.4 | -178.5 | 0 | 0 | 0 | 109.3 | F471 V472 G473 L474 M745 L748 L760 V777 V781 | F471-I779 HydrophobicContact CD1-CD1 4.35Å; V472-I779 PolarHBondContact O-N 3.25Å; G473-I779 CarbonylContact C-O 3.56Å; G473-I779 WeakPolarHBondContact CA-O 3.42Å; L474-I779 PolarHBondContact N-O 3.42Å; M745-I779 HydrophobicContact CB-CB 4.43Å; M745-I779 HydrophobicContact CB-CG1 4.22Å; M745-I779 HydrophobicContact CB-CG2 4.2Å; M745-I779 HydrophobicContact CG-CG1 4.48Å; M745-I779 WeakPolarHBondContact O-CA 3.47Å; M745-I779 HydrophobicContact SD-CG1 4.46Å; L748-I779 HydrophobicContact CD1-CG2 3.75Å; L760-I779 HydrophobicContact CD2-CD1 3.78Å; V777-I779 HydrophobicContact CG1-CD1 3.93Å; V777-I779 HydrophobicContact CG1-CG1 3.71Å; I779-V781 HydrophobicContact CB-CG2 4.35Å; I779-V781 HydrophobicContact CG2-CG2 3.69Å |
| 780 | S | 68.5 | Low | 63.9 | Low | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.1 | 165.8 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | L474 M745 D746 | L474-S780 WeakPolarHBondContact O-CA 3.5Å; M745-S780 PolarHBondContact O-N 3.36Å; D746-S780 PolarHBondContact OD1-OG 3.38Å |
| 781 | V | 62.3 | Low | 63.5 | Low | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.4 | -176.7 | -162.5 | 0 | 0 | 0 | 0 | 109.6 | L474 Y475 L748 I779 V785 V786 | L474-V781 PolarHBondContact O-N 2.88Å; Y475-V781 HydrophobicContact CD1-CB 4.24Å; Y475-V781 HydrophobicContact CE1-CB 3.92Å; Y475-V781 HydrophobicContact CE1-CG2 4.36Å; L748-V781 HydrophobicContact CD1-CG1 4.42Å; L748-V781 HydrophobicContact CD1-CG2 4.17Å; I779-V781 HydrophobicContact CB-CG2 4.35Å; I779-V781 HydrophobicContact CG2-CG2 3.69Å; V781-V785 HydrophobicContact CG1-CB 4.14Å; V781-V785 HydrophobicContact CG1-CG1 3.85Å; V781-V786 HydrophobicContact CG1-CG2 3.96Å |
| 782 | D | 58.4 | Low | 63.6 | Low | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | trans | -73.3 | 134.9 | 169.1 | -160.4 | -75.8 | 0 | 0 | 0 | 111.4 | K482 H784 V785 V786 | K482-D782 IonicContact NZ-OD2 3.26Å; K482-D782 PolarHBondContact NZ-OD2 2.77Å; D782-H784 PolarHBondContact O-N 3.13Å; D782-H784 VanDerWaalsContact OD1-CB 3.25Å; D782-H784 WeakPolarHBondContact OD1-CB 3.29Å; D782-H784 IonicContact OD1-CD2 3.29Å; D782-H784 PolarHBondContact OD1-CD2 3.2Å; D782-H784 IonicContact OD1-CG 3.8Å; D782-H784 PolarHBondContact OD1-N 3.49Å; D782-V785 HydrophobicContact CB-CB 4.43Å; D782-V785 HydrophobicContact CB-CG2 4.19Å; D782-V785 WeakPolarHBondContact O-CB 3.45Å; D782-V785 PolarHBondContact O-N 3.05Å; D782-V786 PolarHBondContact O-N 3.04Å | ||
| 783 | P | 56.1 | Low | 63.5 | Low | 44 Ų | 44 | 46.6 Ų | 46.6 | 29% | 0.286 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.1 | -30 | 172.9 | 22.9 | -34.2 | 0 | 0 | 0 | 113.8 | V785 V786 L787 | P783-V785 VanDerWaalsContact C-N 3.34Å; P783-V785 PolarHBondContact O-N 3.45Å; P783-V786 PolarHBondContact O-N 3.43Å; P783-L787 WeakPolarHBondContact O-CB 3.46Å; P783-L787 VanDerWaalsContact O-CG 3.31Å; P783-L787 WeakPolarHBondContact O-CG 3.46Å; P783-L787 PolarHBondContact O-N 2.84Å |
| 784 | H | 57.9 | Low | 62.3 | Low | 132 Ų | 132 | 48.5 Ų | 48.5 | 61% | 0.611 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.4 | -33.1 | 174.8 | -69.2 | -75.2 | 0 | 0 | 0 | 113 | D782 L787 L788 | D782-H784 PolarHBondContact O-N 3.13Å; D782-H784 VanDerWaalsContact OD1-CB 3.25Å; D782-H784 WeakPolarHBondContact OD1-CB 3.29Å; D782-H784 IonicContact OD1-CD2 3.29Å; D782-H784 PolarHBondContact OD1-CD2 3.2Å; D782-H784 IonicContact OD1-CG 3.8Å; D782-H784 PolarHBondContact OD1-N 3.49Å; H784-L787 PolarHBondContact O-N 3.34Å; H784-L788 WeakPolarHBondContact O-CD1 3.33Å; H784-L788 PolarHBondContact O-N 2.86Å |
| 785 | V | 57.9 | Low | 61.1 | Low | 25 Ų | 25 | 54.2 Ų | 54.2 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 174.3 | 161.9 | 0 | 0 | 0 | 0 | 110.7 | I756 V781 D782 P783 L788 A789 | I756-V785 HydrophobicContact CB-CG1 4.43Å; I756-V785 HydrophobicContact CD1-CB 4.22Å; I756-V785 HydrophobicContact CD1-CG1 3.48Å; I756-V785 VanDerWaalsContact CD1-CG1 3.48Å; I756-V785 HydrophobicContact CD1-CG2 3.64Å; I756-V785 HydrophobicContact CG2-CG1 3.83Å; V781-V785 HydrophobicContact CG1-CB 4.14Å; V781-V785 HydrophobicContact CG1-CG1 3.85Å; D782-V785 HydrophobicContact CB-CB 4.43Å; D782-V785 HydrophobicContact CB-CG2 4.19Å; D782-V785 WeakPolarHBondContact O-CB 3.45Å; D782-V785 PolarHBondContact O-N 3.05Å; P783-V785 VanDerWaalsContact C-N 3.34Å; P783-V785 PolarHBondContact O-N 3.45Å; V785-L788 PolarHBondContact O-N 3.37Å; V785-A789 PolarHBondContact O-N 3.08Å |
| 786 | V | 57.6 | Low | 59.6 | Low | 52 Ų | 52 | 58.2 Ų | 58.2 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | Y475 V781 D782 P783 L788 A789 V790 | Y475-V786 HydrophobicContact CE1-CG2 3.74Å; V781-V786 HydrophobicContact CG1-CG2 3.96Å; D782-V786 PolarHBondContact O-N 3.04Å; P783-V786 PolarHBondContact O-N 3.43Å; V786-L788 VanDerWaalsContact C-N 3.31Å; V786-L788 PolarHBondContact O-N 2.91Å; V786-A789 PolarHBondContact O-N 3.23Å; V786-V790 HydrophobicContact CG1-CG2 4.23Å; V786-V790 WeakPolarHBondContact O-CB 3.35Å; V786-V790 WeakPolarHBondContact O-CG2 3.08Å; V786-V790 PolarHBondContact O-N 3.39Å |
| 787 | L | 55.3 | Low | 57.9 | Low | 82 Ų | 82 | 60.6 Ų | 60.6 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 175.9 | -73.8 | 164.9 | 0 | 0 | 0 | 112.6 | P783 H784 R791 | P783-L787 WeakPolarHBondContact O-CB 3.46Å; P783-L787 VanDerWaalsContact O-CG 3.31Å; P783-L787 WeakPolarHBondContact O-CG 3.46Å; P783-L787 PolarHBondContact O-N 2.84Å; H784-L787 PolarHBondContact O-N 3.34Å; L787-R791 WeakPolarHBondContact O-CB 3.42Å; L787-R791 PolarHBondContact O-N 3.39Å |
| 788 | L | 57.3 | Low | 56.3 | Low | 91 Ų | 91 | 67.5 Ų | 67.5 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.9 | -46.9 | 172.3 | -101.4 | 83.2 | 0 | 0 | 0 | 112.4 | H784 V785 V786 V790 R791 N792 | H784-L788 WeakPolarHBondContact O-CD1 3.33Å; H784-L788 PolarHBondContact O-N 2.86Å; V785-L788 PolarHBondContact O-N 3.37Å; V786-L788 VanDerWaalsContact C-N 3.31Å; V786-L788 PolarHBondContact O-N 2.91Å; L788-V790 VanDerWaalsContact C-N 3.35Å; L788-V790 PolarHBondContact O-N 2.69Å; L788-R791 PolarHBondContact O-N 3.21Å; L788-N792 PolarHBondContact O-N 2.83Å |
| 789 | A | 54.2 | Low | 55 | Low | 29 Ų | 29 | 74.7 Ų | 74.7 | 24% | 0.24 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V757 V785 V786 N792 N793 | V757-A789 HydrophobicContact CG2-CB 4.11Å; V785-A789 PolarHBondContact O-N 3.08Å; V786-A789 PolarHBondContact O-N 3.23Å; A789-N792 PolarHBondContact O-N 3.17Å; A789-N793 PolarHBondContact O-N 3Å |
| 790 | V | 54 | Low | 53.7 | Low | 50 Ų | 50 | 81.7 Ų | 81.7 | 30% | 0.303 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | V786 L788 N792 N793 L794 M811 | V786-V790 HydrophobicContact CG1-CG2 4.23Å; V786-V790 WeakPolarHBondContact O-CB 3.35Å; V786-V790 WeakPolarHBondContact O-CG2 3.08Å; V786-V790 PolarHBondContact O-N 3.39Å; L788-V790 VanDerWaalsContact C-N 3.35Å; L788-V790 PolarHBondContact O-N 2.69Å; V790-N792 VanDerWaalsContact C-N 3.32Å; V790-N792 PolarHBondContact O-N 3.46Å; V790-N793 PolarHBondContact O-N 3.49Å; V790-L794 HydrophobicContact CG1-CD1 3.85Å; V790-L794 HydrophobicContact CG1-CG 4.1Å; V790-L794 WeakPolarHBondContact O-CB 3.3Å; V790-L794 WeakPolarHBondContact O-CG 3.19Å; V790-L794 PolarHBondContact O-N 3.2Å; V790-M811 HydrophobicContact CG1-CE 3.9Å |
| 791 | R | 53.4 | Low | 52.7 | Low | 183 Ų | 183 | 86.8 Ų | 86.8 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -61.7 | -37.5 | 177.8 | -173.7 | 173.7 | -173.1 | 158 | 2.6 | 113 | L787 L788 L794 Q795 | L787-R791 WeakPolarHBondContact O-CB 3.42Å; L787-R791 PolarHBondContact O-N 3.39Å; L788-R791 PolarHBondContact O-N 3.21Å; R791-L794 PolarHBondContact O-N 2.86Å; R791-Q795 PolarHBondContact O-N 3.19Å |
| 792 | N | 54.9 | Low | 51.5 | Low | 84 Ų | 84 | 96 Ų | 96 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 175.5 | -70.6 | -5.6 | 0 | 0 | 0 | 111.6 | L788 A789 V790 Q795 | L788-N792 PolarHBondContact O-N 2.83Å; A789-N792 PolarHBondContact O-N 3.17Å; V790-N792 VanDerWaalsContact C-N 3.32Å; V790-N792 PolarHBondContact O-N 3.46Å; N792-Q795 PolarHBondContact O-N 3.49Å |
| 793 | N | 54.8 | Low | 51 | Low | 116 Ų | 116 | 98.7 Ų | 98.7 | 62% | 0.62 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.1 | -31.4 | 174.9 | -80.6 | -12.2 | 0 | 0 | 0 | 113.2 | A789 V790 Q795 S796 A797 | A789-N793 PolarHBondContact O-N 3Å; V790-N793 PolarHBondContact O-N 3.49Å; N793-Q795 PolarHBondContact O-N 3.37Å; N793-S796 PolarHBondContact O-N 3.36Å; N793-S796 VanDerWaalsContact O-N 3.14Å; N793-S796 PolarHBondContact O-OG 3.04Å; N793-A797 PolarHBondContact O-N 3.31Å |
| 794 | L | 42.7 | Very low | 50.2 | Low | 45 Ų | 45 | 99.4 Ų | 99.4 | 24% | 0.236 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -62 | -31.1 | 175.8 | -79.3 | 170.8 | 0 | 0 | 0 | 112.2 | V790 R791 S796 A797 F798 M811 | V790-L794 HydrophobicContact CG1-CD1 3.85Å; V790-L794 HydrophobicContact CG1-CG 4.1Å; V790-L794 WeakPolarHBondContact O-CB 3.3Å; V790-L794 WeakPolarHBondContact O-CG 3.19Å; V790-L794 PolarHBondContact O-N 3.2Å; R791-L794 PolarHBondContact O-N 2.86Å; L794-S796 PolarHBondContact O-N 2.97Å; L794-A797 PolarHBondContact O-N 2.99Å; L794-F798 HydrophobicContact CB-CD2 4.3Å; L794-F798 HydrophobicContact CB-CE2 4.16Å; L794-F798 HydrophobicContact CD2-CE2 4.27Å; L794-F798 VanDerWaalsContact O-CD2 3.22Å; L794-F798 WeakPolarHBondContact O-CD2 3.34Å; L794-F798 PolarHBondContact O-N 3.05Å; L794-F798 VanDerWaalsContact O-N 3.1Å; L794-M811 HydrophobicContact CD2-CE 4.27Å |
| 795 | Q | 49.6 | Very low | 48.9 | Very low | 152 Ų | 152 | 97.6 Ų | 97.6 | 71% | 0.71 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.2 | -20.9 | 176.5 | -70.1 | -168.4 | -62.9 | 0 | 0 | 114.1 | R791 N792 N793 | R791-Q795 PolarHBondContact O-N 3.19Å; N792-Q795 PolarHBondContact O-N 3.49Å; N793-Q795 PolarHBondContact O-N 3.37Å |
| 796 | S | 52.4 | Low | 47.9 | Very low | 83 Ų | 83 | 102.9 Ų | 102.9 | 58% | 0.58 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -89.8 | -29.2 | 169.9 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | N793 L794 | N793-S796 PolarHBondContact O-N 3.36Å; N793-S796 VanDerWaalsContact O-N 3.14Å; N793-S796 PolarHBondContact O-OG 3.04Å; L794-S796 PolarHBondContact O-N 2.97Å |
| 797 | A | 45.4 | Very low | 47.1 | Very low | 50 Ų | 50 | 103.6 Ų | 103.6 | 41% | 0.413 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.4 | -37.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N793 L794 L799 Q800 | N793-A797 PolarHBondContact O-N 3.31Å; L794-A797 PolarHBondContact O-N 2.99Å; A797-L799 PolarHBondContact O-N 3.36Å; A797-Q800 PolarHBondContact O-N 3.3Å; A797-Q800 VanDerWaalsContact O-N 3.16Å |
| 798 | F | 43 | Very low | 46.2 | Very low | 145 Ų | 145 | 105.8 Ų | 105.8 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -2.1 | -176.5 | -87.3 | -64.6 | 0 | 0 | 0 | 115.8 | L794 | L794-F798 HydrophobicContact CB-CD2 4.3Å; L794-F798 HydrophobicContact CB-CE2 4.16Å; L794-F798 HydrophobicContact CD2-CE2 4.27Å; L794-F798 VanDerWaalsContact O-CD2 3.22Å; L794-F798 WeakPolarHBondContact O-CD2 3.34Å; L794-F798 PolarHBondContact O-N 3.05Å; L794-F798 VanDerWaalsContact O-N 3.1Å |
| 799 | L | 48.3 | Very low | 45.1 | Very low | 152 Ų | 152 | 106.3 Ų | 106.3 | 80% | 0.796 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -6.9 | 175.2 | -79.8 | 161.1 | 0 | 0 | 0 | 114 | A797 | A797-L799 PolarHBondContact O-N 3.36Š|
| 800 | Q | 44.7 | Very low | 44.3 | Very low | 158 Ų | 158 | 109.7 Ų | 109.7 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -139 | 113.3 | -177.1 | -65.2 | -176.1 | -12.2 | 0 | 0 | 112.4 | A797 | A797-Q800 PolarHBondContact O-N 3.3Å; A797-Q800 VanDerWaalsContact O-N 3.16Å |
| 801 | S | 46.5 | Very low | 43.7 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 76% | 0.755 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 49.5 | 110.7 | 161.7 | 53.9 | 0 | 0 | 0 | 0 | 119.6 | V803 | S801-V803 PolarHBondContact O-N 3.32Š|
| 802 | E | 37.3 | Very low | 43 | Very low | 205 Ų | 205 | 108 Ų | 108 | 96% | 0.958 | 56% | 0.564 | S | S | * | * | trans | 33.6 | 78.3 | 144.8 | -64.5 | -179.2 | -158.7 | 0 | 0 | 118.1 | ||||
| 803 | V | 47.7 | Very low | 42.1 | Very low | 87 Ų | 87 | 109.5 Ų | 109.5 | 53% | 0.527 | 57% | 0.571 | S | S | . | * | trans | -92 | 126.9 | 162.3 | 179 | 0 | 0 | 0 | 0 | 108.8 | S801 D807 | S801-V803 PolarHBondContact O-N 3.32Å; V803-D807 HydrophobicContact CG1-CB 3.84Å | ||
| 804 | S | 39.4 | Very low | 41.2 | Very low | 58 Ų | 58 | 109.2 Ų | 109.2 | 41% | 0.406 | 57% | 0.566 | S | S | . | * | trans | -70.7 | 152.9 | -179.6 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | Y806 D807 Y808 | S804-Y806 PolarHBondContact O-N 2.9Å; S804-Y806 PolarHBondContact OG-N 3.5Å; S804-D807 WeakPolarHBondContact CB-OD2 3.45Å; S804-D807 PolarHBondContact N-OD2 2.81Å; S804-D807 VanDerWaalsContact N-OD2 3.09Å; S804-D807 PolarHBondContact O-N 3.06Å; S804-Y808 PolarHBondContact O-N 3.32Å | ||
| 805 | S | 31.1 | Very low | 40.8 | Very low | 95 Ų | 95 | 110.2 Ų | 110.2 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.4 | -22.4 | 166.7 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | L809 | S805-L809 PolarHBondContact O-N 3.47Å |
| 806 | Y | 36 | Very low | 39.8 | Very low | 135 Ų | 135 | 106 Ų | 106 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.3 | -46.9 | 169.8 | -176 | -104.7 | 0 | 0 | 0 | 112 | S804 Y808 L809 K810 | S804-Y806 PolarHBondContact O-N 2.9Å; S804-Y806 PolarHBondContact OG-N 3.5Å; Y806-Y808 VanDerWaalsContact C-N 3.34Å; Y806-Y808 PolarHBondContact O-N 2.93Å; Y806-L809 PolarHBondContact O-N 3.06Å; Y806-K810 HydrophobicContact CE1-CD 4.13Å; Y806-K810 WeakPolarHBondContact O-CB 3.46Å; Y806-K810 PolarHBondContact O-N 3.5Å |
| 807 | D | 41 | Very low | 39 | Very low | 68 Ų | 68 | 106.6 Ų | 106.6 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.8 | -37 | 177.8 | -56.5 | -50.5 | 0 | 0 | 0 | 111.7 | V803 S804 L809 K810 M811 | V803-D807 HydrophobicContact CG1-CB 3.84Å; S804-D807 WeakPolarHBondContact CB-OD2 3.45Å; S804-D807 PolarHBondContact N-OD2 2.81Å; S804-D807 VanDerWaalsContact N-OD2 3.09Å; S804-D807 PolarHBondContact O-N 3.06Å; D807-L809 VanDerWaalsContact C-N 3.3Å; D807-L809 PolarHBondContact O-N 3.46Å; D807-K810 PolarHBondContact O-N 2.68Å; D807-K810 VanDerWaalsContact O-N 3.13Å; D807-M811 PolarHBondContact O-N 3.15Å |
| 808 | Y | 37.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 115.8 Ų | 115.8 | 50% | 0.498 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -56 | -43.1 | 171.8 | -177.3 | -96.1 | 0 | 0 | 0 | 111.8 | S804 Y806 I812 | S804-Y808 PolarHBondContact O-N 3.32Å; Y806-Y808 VanDerWaalsContact C-N 3.34Å; Y806-Y808 PolarHBondContact O-N 2.93Å; Y808-I812 HydrophobicContact CD1-CD1 3.95Å; Y808-I812 HydrophobicContact CD2-CD1 4.48Å; Y808-I812 HydrophobicContact CE1-CD1 3.65Å; Y808-I812 HydrophobicContact CE2-CD1 4.23Å; Y808-I812 HydrophobicContact CG-CD1 4.36Å; Y808-I812 WeakPolarHBondContact O-CD1 3.37Å; Y808-I812 VanDerWaalsContact O-CG1 3.22Å; Y808-I812 WeakPolarHBondContact O-CG1 3.49Å |
| 809 | L | 33.7 | Very low | 38.1 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.7 | -40.3 | 173.1 | -76.9 | 164.6 | 0 | 0 | 0 | 112.3 | S805 Y806 D807 M811 I812 | S805-L809 PolarHBondContact O-N 3.47Å; Y806-L809 PolarHBondContact O-N 3.06Å; D807-L809 VanDerWaalsContact C-N 3.3Å; D807-L809 PolarHBondContact O-N 3.46Å; L809-M811 VanDerWaalsContact C-N 3.26Å; L809-M811 PolarHBondContact O-N 2.94Å; L809-I812 PolarHBondContact O-N 3.12Å; L809-I812 VanDerWaalsContact O-N 3.09Å |
| 810 | K | 37.5 | Very low | 37.2 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 44% | 0.435 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.5 | -33.8 | 179.6 | -156.5 | 158.4 | -169.5 | 154.8 | 0 | 112.1 | Y806 D807 D891 | Y806-K810 HydrophobicContact CE1-CD 4.13Å; Y806-K810 WeakPolarHBondContact O-CB 3.46Å; Y806-K810 PolarHBondContact O-N 3.5Å; D807-K810 PolarHBondContact O-N 2.68Å; D807-K810 VanDerWaalsContact O-N 3.13Å; K810-D891 IonicContact NZ-OD1 3.66Å; K810-D891 PolarHBondContact NZ-OD1 3.05Å; K810-D891 IonicContact NZ-OD2 3.16Å |
| 811 | M | 40.9 | Very low | 36.9 | Very low | 115 Ų | 115 | 111 Ų | 111 | 57% | 0.567 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.9 | -18.4 | 175 | -76.5 | -176.3 | 64.9 | 0 | 0 | 115.5 | V790 L794 D807 L809 | V790-M811 HydrophobicContact CG1-CE 3.9Å; L794-M811 HydrophobicContact CD2-CE 4.27Å; D807-M811 PolarHBondContact O-N 3.15Å; L809-M811 VanDerWaalsContact C-N 3.26Å; L809-M811 PolarHBondContact O-N 2.94Å |
| 812 | I | 38.4 | Very low | 36.6 | Very low | 81 Ų | 81 | 108.7 Ų | 108.7 | 42% | 0.415 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -100.3 | -24 | -166.5 | -68.4 | 172.1 | 0 | 0 | 0 | 113.8 | Y808 L809 | Y808-I812 HydrophobicContact CD1-CD1 3.95Å; Y808-I812 HydrophobicContact CD2-CD1 4.48Å; Y808-I812 HydrophobicContact CE1-CD1 3.65Å; Y808-I812 HydrophobicContact CE2-CD1 4.23Å; Y808-I812 HydrophobicContact CG-CD1 4.36Å; Y808-I812 WeakPolarHBondContact O-CD1 3.37Å; Y808-I812 VanDerWaalsContact O-CG1 3.22Å; Y808-I812 WeakPolarHBondContact O-CG1 3.49Å; L809-I812 PolarHBondContact O-N 3.12Å; L809-I812 VanDerWaalsContact O-N 3.09Å |
| 813 | I | 36 | Very low | 36.5 | Very low | 117 Ų | 117 | 103 Ų | 103 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -123.9 | -27.9 | -160.5 | -58.9 | -173.5 | 0 | 0 | 0 | 116.5 | ||
| 814 | H | 35.9 | Very low | 36 | Very low | 110 Ų | 110 | 103.8 Ų | 103.8 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | trans | -103 | 121.6 | -159.8 | -89.7 | -105.5 | 0 | 0 | 0 | 119.3 | S894 | H814-S894 PolarHBondContact CE1-O 3.39Å; H814-S894 PolarHBondContact ND1-O 2.94Å | ||
| 815 | M | 34.5 | Very low | 35.9 | Very low | 66 Ų | 66 | 105.2 Ų | 105.2 | 33% | 0.325 | 51% | 0.508 | S | S | . | . | trans | 76.4 | 125.7 | 147.7 | -144.8 | 60.5 | 72.7 | 0 | 0 | 121.4 | L817 F893 I896 L901 | M815-L817 PolarHBondContact O-N 3.49Å; M815-F893 WeakPolarHBondContact CE-O 3.47Å; M815-I896 WeakPolarHBondContact CE-O 3.48Å; M815-L901 HydrophobicContact SD-CD2 4.19Å | ||
| 816 | S | 30.1 | Very low | 36.5 | Very low | 64 Ų | 64 | 105.7 Ų | 105.7 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -93.6 | 57.2 | 178.3 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 817 | L | 33.8 | Very low | 36.6 | Very low | 94 Ų | 94 | 102.1 Ų | 102.1 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | trans | -164.7 | 105.4 | 159.9 | -138 | 87.2 | 0 | 0 | 0 | 110.6 | M815 L819 | M815-L817 PolarHBondContact O-N 3.49Å; L817-L819 HydrophobicContact CD2-CB 4.36Å; L817-L819 HydrophobicContact CD2-CD1 4.05Å; L817-L819 PolarHBondContact O-N 3.17Å | ||
| 818 | Y | 33.6 | Very low | 36.7 | Very low | 244 Ų | 244 | 100.1 Ų | 100.1 | 96% | 0.957 | 48% | 0.477 | S | S | * | . | trans | -93.8 | 77.6 | 178.1 | -157.5 | -90.1 | 0 | 0 | 0 | 110.7 | ||||
| 819 | L | 35.8 | Very low | 37 | Very low | 99 Ų | 99 | 98.7 Ų | 98.7 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | trans | -118 | 121.9 | -177 | -137.2 | 163.8 | 0 | 0 | 0 | 109.7 | L817 N821 | L817-L819 HydrophobicContact CD2-CB 4.36Å; L817-L819 HydrophobicContact CD2-CD1 4.05Å; L817-L819 PolarHBondContact O-N 3.17Å; L819-N821 VanDerWaalsContact C-N 3.34Å; L819-N821 PolarHBondContact O-N 3.33Å | ||
| 820 | R | 30.8 | Very low | 37.5 | Very low | 173 Ų | 173 | 98.8 Ų | 98.8 | 65% | 0.653 | 47% | 0.473 | S | S | * | . | trans | -78.2 | 74.6 | -166.1 | -156 | -175.4 | -152.9 | -149.1 | 13.8 | 112.3 | S822 E823 | R820-S822 PolarHBondContact O-N 2.93Å; R820-E823 HydrophobicContact CB-CG 4.4Å; R820-E823 HydrophobicContact CG-CG 4.27Å; R820-E823 IonicContact CZ-OE1 3.88Å; R820-E823 IonicContact NH1-OE1 2.74Å; R820-E823 PolarHBondContact NH1-OE1 3.47Å; R820-E823 PolarHBondContact O-N 3.06Å | ||
| 821 | N | 37 | Very low | 37.5 | Very low | 82 Ų | 82 | 94.4 Ų | 94.4 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -52 | -26.8 | -175.1 | -79.1 | -16.6 | 0 | 0 | 0 | 114.9 | L819 E823 F824 L825 | L819-N821 VanDerWaalsContact C-N 3.34Å; L819-N821 PolarHBondContact O-N 3.33Å; N821-E823 VanDerWaalsContact C-N 3.26Å; N821-E823 PolarHBondContact O-N 3.26Å; N821-F824 WeakPolarHBondContact O-CB 3.35Å; N821-F824 PolarHBondContact O-N 2.87Å; N821-F824 VanDerWaalsContact O-N 3.08Å; N821-L825 PolarHBondContact O-N 3.09Å |
| 822 | S | 40.1 | Very low | 37.7 | Very low | 59 Ų | 59 | 91.5 Ų | 91.5 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.7 | -22.6 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | R820 K826 | R820-S822 PolarHBondContact O-N 2.93Å; S822-K826 VanDerWaalsContact O-CD 3.29Å; S822-K826 WeakPolarHBondContact O-CD 3.47Å; S822-K826 VanDerWaalsContact O-CG 3.25Å; S822-K826 WeakPolarHBondContact O-CG 3.47Å |
| 823 | E | 36.6 | Very low | 38 | Very low | 86 Ų | 86 | 92.9 Ų | 92.9 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -78.5 | -39.5 | 168.8 | -54.1 | -59.3 | 164.4 | 0 | 0 | 111.1 | R820 N821 K826 L827 | R820-E823 HydrophobicContact CB-CG 4.4Å; R820-E823 HydrophobicContact CG-CG 4.27Å; R820-E823 IonicContact CZ-OE1 3.88Å; R820-E823 IonicContact NH1-OE1 2.74Å; R820-E823 PolarHBondContact NH1-OE1 3.47Å; R820-E823 PolarHBondContact O-N 3.06Å; N821-E823 VanDerWaalsContact C-N 3.26Å; N821-E823 PolarHBondContact O-N 3.26Å; E823-K826 PolarHBondContact O-N 3.47Å; E823-L827 WeakPolarHBondContact O-CB 3.23Å; E823-L827 PolarHBondContact O-N 2.96Å |
| 824 | F | 36.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 89.8 Ų | 89.8 | 46% | 0.456 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | -178.1 | -157.6 | -86.5 | 0 | 0 | 0 | 111.6 | N821 L827 H828 I860 | N821-F824 WeakPolarHBondContact O-CB 3.35Å; N821-F824 PolarHBondContact O-N 2.87Å; N821-F824 VanDerWaalsContact O-N 3.08Å; F824-L827 PolarHBondContact O-N 3.13Å; F824-H828 AromaticContact CE1-CD2 3.99Å; F824-H828 WeakPolarHBondContact O-CB 3.45Å; F824-H828 PolarHBondContact O-N 3.18Å; F824-I860 HydrophobicContact CE2-CD1 3.74Å; F824-I860 HydrophobicContact CE2-CG1 4.46Å; F824-I860 HydrophobicContact CZ-CD1 4.01Å; F824-I860 HydrophobicContact CZ-CG1 4.37Å |
| 825 | L | 37.8 | Very low | 38.3 | Very low | 87 Ų | 87 | 90.4 Ų | 90.4 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 175.9 | -105.4 | 148.7 | 0 | 0 | 0 | 112.6 | N821 L827 H828 Q829 | N821-L825 PolarHBondContact O-N 3.09Å; L825-L827 VanDerWaalsContact C-N 3.32Å; L825-L827 PolarHBondContact O-N 3.24Å; L825-H828 PolarHBondContact O-N 2.97Å; L825-H828 VanDerWaalsContact O-N 3.12Å; L825-Q829 PolarHBondContact O-N 2.85Å |
| 826 | K | 43.3 | Very low | 38.6 | Very low | 106 Ų | 106 | 91.2 Ų | 91.2 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 174 | -71.8 | 170.8 | -171.5 | 170.3 | 0 | 111.9 | S822 E823 H828 Q830 | S822-K826 VanDerWaalsContact O-CD 3.29Å; S822-K826 WeakPolarHBondContact O-CD 3.47Å; S822-K826 VanDerWaalsContact O-CG 3.25Å; S822-K826 WeakPolarHBondContact O-CG 3.47Å; E823-K826 PolarHBondContact O-N 3.47Å; K826-H828 VanDerWaalsContact C-N 3.33Å; K826-Q830 WeakPolarHBondContact O-CG 3.16Å; K826-Q830 PolarHBondContact O-N 3.48Å |
| 827 | L | 38.6 | Very low | 39 | Very low | 60 Ų | 60 | 95.9 Ų | 95.9 | 31% | 0.314 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 175.7 | -154.4 | 161.6 | 0 | 0 | 0 | 110.5 | E823 F824 L825 Q830 L831 I860 | E823-L827 WeakPolarHBondContact O-CB 3.23Å; E823-L827 PolarHBondContact O-N 2.96Å; F824-L827 PolarHBondContact O-N 3.13Å; L825-L827 VanDerWaalsContact C-N 3.32Å; L825-L827 PolarHBondContact O-N 3.24Å; L827-Q830 CarbonylContact O-C 3.59Å; L827-Q830 PolarHBondContact O-N 2.86Å; L827-L831 HydrophobicContact CD2-CD1 3.61Å; L827-L831 HydrophobicContact CD2-CG 4.09Å; L827-L831 WeakPolarHBondContact O-CG 3.47Å; L827-L831 PolarHBondContact O-N 3.38Å; L827-I860 HydrophobicContact CD2-CG2 4.35Å |
| 828 | H | 42.9 | Very low | 39 | Very low | 26 Ų | 26 | 97 Ų | 97 | 12% | 0.12 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -70 | -36.1 | 177.2 | -133.8 | -54.8 | 0 | 0 | 0 | 114.2 | F824 L825 K826 L831 A832 V925 | F824-H828 AromaticContact CE1-CD2 3.99Å; F824-H828 WeakPolarHBondContact O-CB 3.45Å; F824-H828 PolarHBondContact O-N 3.18Å; L825-H828 PolarHBondContact O-N 2.97Å; L825-H828 VanDerWaalsContact O-N 3.12Å; K826-H828 VanDerWaalsContact C-N 3.33Å; H828-L831 WeakPolarHBondContact O-CB 3.32Å; H828-L831 PolarHBondContact O-N 3.43Å; H828-A832 PolarHBondContact O-N 2.89Å; H828-A832 VanDerWaalsContact O-N 3.1Å; H828-V925 HydrophobicContact CB-CG2 4.18Å |
| 829 | Q | 43 | Very low | 38.9 | Very low | 96 Ų | 96 | 95.2 Ų | 95.2 | 45% | 0.449 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -43 | 169.6 | -73 | 173.6 | -39.4 | 0 | 0 | 110.8 | L825 L831 A832 I833 | L825-Q829 PolarHBondContact O-N 2.85Å; Q829-L831 VanDerWaalsContact C-N 3.28Å; Q829-L831 PolarHBondContact O-N 3.5Å; Q829-A832 PolarHBondContact O-N 3.1Å; Q829-I833 WeakPolarHBondContact O-CD1 3.48Å; Q829-I833 VanDerWaalsContact O-CG1 3.3Å; Q829-I833 WeakPolarHBondContact O-CG1 3.15Å; Q829-I833 PolarHBondContact O-N 2.84Å; Q829-I833 VanDerWaalsContact O-N 3.09Å |
| 830 | Q | 45.3 | Very low | 38.9 | Very low | 106 Ų | 106 | 95.7 Ų | 95.7 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -25.5 | 173.4 | -69.3 | -179.7 | 34.3 | 0 | 0 | 113.3 | K826 L827 S863 | K826-Q830 WeakPolarHBondContact O-CG 3.16Å; K826-Q830 PolarHBondContact O-N 3.48Å; L827-Q830 CarbonylContact O-C 3.59Å; L827-Q830 PolarHBondContact O-N 2.86Å; Q830-S863 PolarHBondContact O-OG 2.85Å |
| 831 | L | 37.7 | Very low | 39.4 | Very low | 8 Ų | 8 | 91.1 Ų | 91.1 | 4% | 0.042 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.3 | -56.6 | 169 | -83.5 | 153.7 | 0 | 0 | 0 | 110.8 | L827 H828 Q829 I833 R834 Q835 S863 | L827-L831 HydrophobicContact CD2-CD1 3.61Å; L827-L831 HydrophobicContact CD2-CG 4.09Å; L827-L831 WeakPolarHBondContact O-CG 3.47Å; L827-L831 PolarHBondContact O-N 3.38Å; H828-L831 WeakPolarHBondContact O-CB 3.32Å; H828-L831 PolarHBondContact O-N 3.43Å; Q829-L831 VanDerWaalsContact C-N 3.28Å; Q829-L831 PolarHBondContact O-N 3.5Å; L831-I833 PolarHBondContact O-N 2.95Å; L831-R834 PolarHBondContact O-N 3.08Å; L831-R834 VanDerWaalsContact O-N 3.11Å; L831-Q835 PolarHBondContact O-N 3.35Å; L831-S863 VanDerWaalsContact CA-CB 3.49Å |
| 832 | A | 43.5 | Very low | 39.3 | Very low | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H828 Q829 R834 Q835 A836 | H828-A832 PolarHBondContact O-N 2.89Å; H828-A832 VanDerWaalsContact O-N 3.1Å; Q829-A832 PolarHBondContact O-N 3.1Å; A832-R834 PolarHBondContact O-N 3.03Å; A832-R834 VanDerWaalsContact O-N 3.16Å; A832-Q835 PolarHBondContact O-N 3.34Å; A832-A836 PolarHBondContact O-N 3.36Å; A832-A836 VanDerWaalsContact O-N 3.15Å |
| 833 | I | 44.7 | Very low | 39.1 | Very low | 109 Ų | 109 | 98.7 Ų | 98.7 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -22.3 | -179.3 | -66.7 | 166.6 | 0 | 0 | 0 | 112.8 | Q829 L831 | Q829-I833 WeakPolarHBondContact O-CD1 3.48Å; Q829-I833 VanDerWaalsContact O-CG1 3.3Å; Q829-I833 WeakPolarHBondContact O-CG1 3.15Å; Q829-I833 PolarHBondContact O-N 2.84Å; Q829-I833 VanDerWaalsContact O-N 3.09Å; L831-I833 PolarHBondContact O-N 2.95Å |
| 834 | R | 40.5 | Very low | 39 | Very low | 53 Ų | 53 | 98.5 Ų | 98.5 | 20% | 0.2 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -89.3 | -40.4 | 171.8 | -71.3 | -155.3 | -177.8 | 91.6 | -2.3 | 113.3 | L831 A832 A836 K837 S863 G866 | L831-R834 PolarHBondContact O-N 3.08Å; L831-R834 VanDerWaalsContact O-N 3.11Å; A832-R834 PolarHBondContact O-N 3.03Å; A832-R834 VanDerWaalsContact O-N 3.16Å; R834-A836 VanDerWaalsContact C-N 3.25Å; R834-A836 PolarHBondContact O-N 2.74Å; R834-K837 PolarHBondContact O-N 3.18Å; R834-S863 WeakPolarHBondContact CB-OG 3.27Å; R834-S863 WeakPolarHBondContact CD-OG 3.46Å; R834-S863 VanDerWaalsContact CG-OG 3.23Å; R834-S863 WeakPolarHBondContact CG-OG 3.49Å; R834-S863 PolarHBondContact NH1-O 3.14Å; R834-S863 PolarHBondContact NH1-OG 2.97Å; R834-G866 PolarHBondContact NE-O 2.93Å; R834-G866 PolarHBondContact NH2-O 3.09Å |
| 835 | Q | 37.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 100.9 Ų | 100.9 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -37 | -179.8 | -73.8 | 176.9 | -52.7 | 0 | 0 | 111.8 | L831 A832 K837 | L831-Q835 PolarHBondContact O-N 3.35Å; A832-Q835 PolarHBondContact O-N 3.34Å; Q835-K837 PolarHBondContact O-N 3.21Å |
| 836 | A | 40.8 | Very low | 38.5 | Very low | 82 Ų | 82 | 101.7 Ų | 101.7 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A832 R834 | A832-A836 PolarHBondContact O-N 3.36Å; A832-A836 VanDerWaalsContact O-N 3.15Å; R834-A836 VanDerWaalsContact C-N 3.25Å; R834-A836 PolarHBondContact O-N 2.74Å |
| 837 | K | 38.8 | Very low | 37.9 | Very low | 163 Ų | 163 | 102.2 Ų | 102.2 | 71% | 0.709 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 3.2 | -172.1 | -65.2 | -174.6 | 178.7 | 179.1 | 0 | 115.7 | R834 Q835 | R834-K837 PolarHBondContact O-N 3.18Å; Q835-K837 PolarHBondContact O-N 3.21Å |
| 838 | T | 35.1 | Very low | 37.5 | Very low | 116 Ų | 116 | 102.8 Ų | 102.8 | 71% | 0.712 | 52% | 0.52 | S | S | * | . | trans | -140.6 | 97.6 | -178.6 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 839 | F | 30.8 | Very low | 36.8 | Very low | 208 Ų | 208 | 110.6 Ų | 110.6 | 91% | 0.912 | 55% | 0.548 | S | S | * | . | trans | -91.2 | 119.6 | 174.4 | -98.9 | -106.4 | 0 | 0 | 0 | 111.7 | ||||
| 840 | D | 36.3 | Very low | 36.2 | Very low | 108 Ų | 108 | 114 Ų | 114 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | trans | -162.7 | 108.7 | 145.9 | -167.6 | -2.7 | 0 | 0 | 0 | 110 | ||||
| 841 | S | 39.9 | Very low | 35.5 | Very low | 77 Ų | 77 | 115 Ų | 115 | 54% | 0.538 | 57% | 0.569 | S | S | . | * | trans | -92.8 | -4.3 | -157.4 | 63.7 | 0 | 0 | 0 | 0 | 116 | R845 | S841-R845 PolarHBondContact O-NH2 3.38Š| ||
| 842 | N | 35.6 | Very low | 35.1 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 54% | 0.535 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -102.8 | -34.1 | -171.5 | -73.2 | -35.7 | 0 | 0 | 0 | 114.4 | R845 | N842-R845 PolarHBondContact OD1-NH2 3.49Š|
| 843 | R | 35.2 | Very low | 34.4 | Very low | 201 Ų | 201 | 123.6 Ų | 123.6 | 76% | 0.758 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -72.1 | -33.6 | -176.9 | -88 | 179.5 | 159.9 | 167.3 | -4.6 | 114.4 | R845 | R843-R845 VanDerWaalsContact C-N 3.33Å; R843-R845 PolarHBondContact O-N 2.95Å |
| 844 | L | 34.7 | Very low | 33.6 | Very low | 82 Ų | 82 | 121 Ų | 121 | 43% | 0.429 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.5 | -38.8 | 176.4 | -91.7 | 156.1 | 0 | 0 | 0 | 112.4 | V846 L847 M848 | L844-V846 PolarHBondContact O-N 3.02Å; L844-L847 PolarHBondContact O-N 3.34Å; L844-L847 VanDerWaalsContact O-N 3.11Å; L844-M848 HydrophobicContact CD2-CG 4.35Å; L844-M848 WeakPolarHBondContact O-CG 3.34Å; L844-M848 PolarHBondContact O-N 2.82Å |
| 845 | R | 32.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 120 Ų | 120 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.7 | -18.6 | -173.2 | -125.7 | 178.4 | -64.1 | 149.4 | 8.7 | 114.9 | S841 N842 R843 | S841-R845 PolarHBondContact O-NH2 3.38Å; N842-R845 PolarHBondContact OD1-NH2 3.49Å; R843-R845 VanDerWaalsContact C-N 3.33Å; R843-R845 PolarHBondContact O-N 2.95Å |
| 846 | V | 31.4 | Very low | 32.5 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 63% | 0.63 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -90.5 | -44.5 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | L844 M848 R849 | L844-V846 PolarHBondContact O-N 3.02Å; V846-M848 VanDerWaalsContact C-N 3.34Å; V846-M848 PolarHBondContact O-N 2.84Å; V846-R849 WeakPolarHBondContact O-CB 3.48Å; V846-R849 PolarHBondContact O-N 3.05Å; V846-R849 VanDerWaalsContact O-N 3.11Å |
| 847 | L | 31.2 | Very low | 32 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62 | -41.5 | 177.3 | -69.4 | 172.8 | 0 | 0 | 0 | 111.9 | L844 R849 Q850 | L844-L847 PolarHBondContact O-N 3.34Å; L844-L847 VanDerWaalsContact O-N 3.11Å; L847-R849 PolarHBondContact O-N 3.15Å; L847-Q850 PolarHBondContact O-N 3.3Å |
| 848 | M | 29.8 | Very low | 31.4 | Very low | 72 Ų | 72 | 117.8 Ų | 117.8 | 36% | 0.355 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -5.6 | 177.4 | -61.7 | -150.1 | -55.5 | 0 | 0 | 114 | L844 V846 T852 W858 | L844-M848 HydrophobicContact CD2-CG 4.35Å; L844-M848 WeakPolarHBondContact O-CG 3.34Å; L844-M848 PolarHBondContact O-N 2.82Å; V846-M848 VanDerWaalsContact C-N 3.34Å; V846-M848 PolarHBondContact O-N 2.84Å; M848-T852 VanDerWaalsContact O-CG2 3.28Å; M848-T852 WeakPolarHBondContact O-CG2 3.25Å; M848-W858 HydrophobicContact CE-CH2 3.91Å; M848-W858 HydrophobicContact CE-CZ2 4.02Å; M848-W858 HydrophobicContact SD-CH2 3.37Å; M848-W858 WeakPolarHBondContact SD-CH2 3.39Å; M848-W858 HydrophobicContact SD-CZ2 3.45Å; M848-W858 WeakPolarHBondContact SD-CZ2 3.16Å; M848-W858 HydrophobicContact SD-CZ3 4.47Å |
| 849 | R | 29 | Very low | 31.2 | Very low | 191 Ų | 191 | 114.1 Ų | 114.1 | 72% | 0.721 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -10 | 177.6 | -111.6 | 177.8 | 179.1 | -169 | -2.8 | 114.6 | V846 L847 T852 | V846-R849 WeakPolarHBondContact O-CB 3.48Å; V846-R849 PolarHBondContact O-N 3.05Å; V846-R849 VanDerWaalsContact O-N 3.11Å; L847-R849 PolarHBondContact O-N 3.15Å; R849-T852 PolarHBondContact O-OG1 3.37Å |
| 850 | Q | 29.8 | Very low | 31 | Very low | 167 Ų | 167 | 106.3 Ų | 106.3 | 78% | 0.78 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -15.9 | -177.5 | -70.7 | -177.9 | -28.9 | 0 | 0 | 114.3 | L847 | L847-Q850 PolarHBondContact O-N 3.3Š|
| 851 | E | 30.7 | Very low | 30.8 | Very low | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -92.8 | -7.1 | 176.1 | -60.1 | -165.8 | 148.2 | 0 | 0 | 113.7 | V853 G854 | E851-V853 VanDerWaalsContact C-N 3.34Å; E851-V853 PolarHBondContact O-N 3.01Å; E851-G854 PolarHBondContact O-N 3Å |
| 852 | T | 29.6 | Very low | 30.4 | Very low | 97 Ų | 97 | 107 Ų | 107 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -61.7 | -28.3 | -171.4 | 35.9 | 0 | 0 | 0 | 0 | 116 | M848 R849 | M848-T852 VanDerWaalsContact O-CG2 3.28Å; M848-T852 WeakPolarHBondContact O-CG2 3.25Å; R849-T852 PolarHBondContact O-OG1 3.37Å |
| 853 | V | 28 | Very low | 30.2 | Very low | 146 Ų | 146 | 102.4 Ų | 102.4 | 89% | 0.885 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -86.4 | -8.4 | -171.9 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | E851 | E851-V853 VanDerWaalsContact C-N 3.34Å; E851-V853 PolarHBondContact O-N 3.01Å |
| 854 | G | 27.9 | Very low | 30 | Very low | 53 Ų | 53 | 97 Ų | 97 | 55% | 0.546 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -133.8 | 20.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E851 | E851-G854 PolarHBondContact O-N 3Š|
| 855 | G | 27.1 | Very low | 29.7 | Very low | 33 Ų | 33 | 97.3 Ų | 97.3 | 34% | 0.34 | 51% | 0.509 | S | S | . | . | trans | -118.2 | 95.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y857 | G855-Y857 PolarHBondContact O-N 3.28Š| ||
| 856 | S | 28.3 | Very low | 29.4 | Very low | 98 Ų | 98 | 91.8 Ų | 91.8 | 69% | 0.685 | 50% | 0.5 | S | S | * | . | trans | -71 | 31 | 147.1 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 857 | Y | 30.3 | Very low | 29.2 | Very low | 82 Ų | 82 | 92.2 Ų | 92.2 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | trans | -119.6 | 91.8 | -146.9 | -148 | -92.9 | 0 | 0 | 0 | 110.6 | P464 I565 G855 | P464-Y857 HydrophobicContact CG-CE2 3.73Å; I565-Y857 WeakPolarHBondContact CG2-OH 3.28Å; I565-Y857 PolarHBondContact O-OH 3.23Å; G855-Y857 PolarHBondContact O-N 3.28Å | ||
| 858 | W | 27.4 | Very low | 29 | Very low | 141 Ų | 141 | 91.8 Ų | 91.8 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | trans | -160.4 | 138.1 | -177.9 | -100.1 | 99 | 0 | 0 | 0 | 111.8 | M848 R916 | M848-W858 HydrophobicContact CE-CH2 3.91Å; M848-W858 HydrophobicContact CE-CZ2 4.02Å; M848-W858 HydrophobicContact SD-CH2 3.37Å; M848-W858 WeakPolarHBondContact SD-CH2 3.39Å; M848-W858 HydrophobicContact SD-CZ2 3.45Å; M848-W858 WeakPolarHBondContact SD-CZ2 3.16Å; M848-W858 HydrophobicContact SD-CZ3 4.47Å; W858-R916 VanDerWaalsContact CB-NH2 3.3Å | ||
| 859 | S | 30.2 | Very low | 28.9 | Very low | 39 Ų | 39 | 99.3 Ų | 99.3 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 57.3 | 56.7 | 162.4 | 69.6 | 0 | 0 | 0 | 0 | 120.2 | W924 | S859-W924 VanDerWaalsContact OG-CD1 3.31Š|
| 860 | I | 27.2 | Very low | 28.7 | Very low | 45 Ų | 45 | 94.9 Ų | 94.9 | 23% | 0.231 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -132.6 | -29.4 | 148.9 | -58.6 | 177.3 | 0 | 0 | 0 | 112 | N465 F824 L827 E862 | N465-I860 WeakPolarHBondContact ND2-CD1 3.45Å; F824-I860 HydrophobicContact CE2-CD1 3.74Å; F824-I860 HydrophobicContact CE2-CG1 4.46Å; F824-I860 HydrophobicContact CZ-CD1 4.01Å; F824-I860 HydrophobicContact CZ-CG1 4.37Å; L827-I860 HydrophobicContact CD2-CG2 4.35Å; I860-E862 PolarHBondContact O-N 3.27Å |
| 861 | S | 30.9 | Very low | 28.5 | Very low | 59 Ų | 59 | 92.3 Ų | 92.3 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -8 | -162.2 | 41.7 | 0 | 0 | 0 | 0 | 118 | ||
| 862 | E | 32 | Very low | 28.3 | Very low | 140 Ų | 140 | 95.1 Ų | 95.1 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -14.3 | -165 | -121.1 | 168.5 | -178 | 0 | 0 | 116.9 | I860 | I860-E862 PolarHBondContact O-N 3.27Š|
| 863 | S | 31.8 | Very low | 28.1 | Very low | 3 Ų | 3 | 96.8 Ų | 96.8 | 2% | 0.021 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -111.6 | 52.5 | 175.3 | -166.9 | 0 | 0 | 0 | 0 | 113.9 | Q830 L831 R834 | Q830-S863 PolarHBondContact O-OG 2.85Å; L831-S863 VanDerWaalsContact CA-CB 3.49Å; R834-S863 WeakPolarHBondContact CB-OG 3.27Å; R834-S863 WeakPolarHBondContact CD-OG 3.46Å; R834-S863 VanDerWaalsContact CG-OG 3.23Å; R834-S863 WeakPolarHBondContact CG-OG 3.49Å; R834-S863 PolarHBondContact NH1-O 3.14Å; R834-S863 PolarHBondContact NH1-OG 2.97Å |
| 864 | C | 30 | Very low | 28.1 | Very low | 89 Ų | 89 | 95.3 Ų | 95.3 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -122.4 | -0 | 162.3 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 865 | R | 28.1 | Very low | 28.1 | Very low | 87 Ų | 87 | 99 Ų | 99 | 33% | 0.328 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -136.2 | 66.6 | -174.6 | -70.1 | -174.3 | 177.6 | -170.6 | 5.7 | 113.2 | S560 E561 | S560-R865 VanDerWaalsContact CB-NH2 3.34Å; S560-R865 PolarHBondContact OG-NH1 3.17Å; S560-R865 PolarHBondContact OG-NH2 2.84Å; E561-R865 IonicContact OE2-CZ 3.37Å; E561-R865 IonicContact OE2-NE 3.26Å; E561-R865 PolarHBondContact OE2-NE 3.39Å; E561-R865 IonicContact OE2-NH2 2.66Å; E561-R865 PolarHBondContact OE2-NH2 3.18Å |
| 866 | G | 27.8 | Very low | 28.1 | Very low | 37 Ų | 37 | 100.7 Ų | 100.7 | 38% | 0.381 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -164.6 | 87.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R834 | R834-G866 PolarHBondContact NE-O 2.93Å; R834-G866 PolarHBondContact NH2-O 3.09Å |
| 867 | S | 26.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 102 Ų | 102 | 80% | 0.797 | 59% | 0.591 | S | S | * | * | trans | 35 | 101.1 | 168.8 | -163.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 868 | V | 27.6 | Very low | 27.8 | Very low | 108 Ų | 108 | 102 Ų | 102 | 66% | 0.655 | 61% | 0.608 | S | S | * | * | trans | -127.6 | 107.5 | 148 | 171.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 869 | R | 26.8 | Very low | 27.7 | Very low | 229 Ų | 229 | 103.1 Ų | 103.1 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 138.9 | 157.6 | -75.7 | 176.9 | 170.4 | 166.5 | -4.1 | 107.2 | P871 | R869-P871 WeakPolarHBondContact O-CD 3.43Š|
| 870 | S | 25.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 105.1 Ų | 105.1 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 123.8 | 178 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | K872 | S870-K872 PolarHBondContact O-N 3.24Š|
| 871 | P | 25 | Very low | 27.5 | Very low | 113 Ų | 113 | 109.7 Ų | 109.7 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 117.7 | 152.4 | -7.6 | 24.9 | 0 | 0 | 0 | 106.3 | R869 | R869-P871 WeakPolarHBondContact O-CD 3.43Š|
| 872 | K | 25.7 | Very low | 27.5 | Very low | 185 Ų | 185 | 111.4 Ų | 111.4 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.2 | 172.3 | -67.9 | 178.7 | 177.5 | 179.3 | 0 | 108.3 | S870 S874 | S870-K872 PolarHBondContact O-N 3.24Å; K872-S874 PolarHBondContact O-N 3.32Å; K872-S874 VanDerWaalsContact O-N 3.14Å |
| 873 | P | 27.1 | Very low | 27.2 | Very low | 133 Ų | 133 | 114.1 Ų | 114.1 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | -65.9 | 112.8 | 161.9 | 28 | -31.1 | 0 | 0 | 0 | 108 | ||||
| 874 | S | 27.4 | Very low | 26.9 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -73.3 | 134.1 | 173.2 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | K872 G876 | K872-S874 PolarHBondContact O-N 3.32Å; K872-S874 VanDerWaalsContact O-N 3.14Å; S874-G876 PolarHBondContact O-N 3.2Å | ||
| 875 | S | 27.2 | Very low | 26.9 | Very low | 130 Ų | 130 | 117.7 Ų | 117.7 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -65.6 | 123.9 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 876 | G | 28 | Very low | 27.1 | Very low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -156.4 | 124.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | S874 | S874-G876 PolarHBondContact O-N 3.2Š| ||
| 877 | P | 27.4 | Very low | 27.1 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -99.5 | 144 | -172.3 | 36 | -32.8 | 0 | 0 | 0 | 113.8 | ||||
| 878 | A | 24.1 | Very low | 27.5 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | trans | 57.8 | 150.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 879 | N | 25.4 | Very low | 28 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | trans | 69.9 | 140.4 | 171.5 | -49.6 | -27.8 | 0 | 0 | 0 | 115.5 | ||||
| 880 | A | 25.2 | Very low | 28.5 | Very low | 82 Ų | 82 | 120 Ų | 120 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | -167.2 | 172.1 | -18.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 881 | V | 27.8 | Very low | 29 | Very low | 141 Ų | 141 | 117.2 Ų | 117.2 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | trans | 75.6 | 142.7 | 153.7 | 152.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 882 | P | 32.2 | Very low | 29.7 | Very low | 94 Ų | 94 | 113.8 Ų | 113.8 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | -140.4 | -143 | -117.3 | 45.8 | -27.9 | 0 | 0 | 0 | 114.4 | |||||
| 883 | F | 24.5 | Very low | 30.3 | Very low | 197 Ų | 197 | 109.3 Ų | 109.3 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | trans | 81.4 | 123.6 | 179.8 | -57.1 | -73.8 | 0 | 0 | 0 | 115.4 | ||||
| 884 | G | 25.2 | Very low | 30.9 | Very low | 68 Ų | 68 | 104.2 Ų | 104.2 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | trans | -93.8 | -137.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 885 | P | 31 | Very low | 31.5 | Very low | 100 Ų | 100 | 104.6 Ų | 104.6 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | cis | -86.9 | 177.5 | 8.2 | 39.2 | -37.8 | 0 | 0 | 0 | 111.7 | I887 | P885-I887 HydrophobicContact CB-CD1 4.05Å; P885-I887 HydrophobicContact CB-CG1 4.14Å; P885-I887 HydrophobicContact CG-CD1 4.48Å | ||
| 886 | E | 31.4 | Very low | 32.5 | Very low | 183 Ų | 183 | 98.8 Ų | 98.8 | 86% | 0.855 | 58% | 0.581 | S | S | * | * | cis | 61 | 170.8 | 36.7 | -65.1 | -173.9 | 129.2 | 0 | 0 | 113.8 | ||||
| 887 | I | 28.5 | Very low | 33.2 | Very low | 145 Ų | 145 | 99.2 Ų | 99.2 | 74% | 0.744 | 57% | 0.566 | S | S | * | * | trans | 63.2 | 67.4 | 170.8 | -39.1 | 167.4 | 0 | 0 | 0 | 115.2 | P885 | P885-I887 HydrophobicContact CB-CD1 4.05Å; P885-I887 HydrophobicContact CB-CG1 4.14Å; P885-I887 HydrophobicContact CG-CD1 4.48Å | ||
| 888 | V | 34.8 | Very low | 34.1 | Very low | 47 Ų | 47 | 97.2 Ų | 97.2 | 29% | 0.285 | 55% | 0.553 | S | S | . | * | S | Bend | trans | 171.9 | 121.3 | 130.6 | 151.2 | 0 | 0 | 0 | 0 | 110.7 | S993 V995 | V888-S993 WeakPolarHBondContact CG1-OG 3.41Å; V888-V995 HydrophobicContact CG1-CG2 4.46Å |
| 889 | R | 38.1 | Very low | 35.3 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 29% | 0.294 | 56% | 0.556 | S | S | . | * | cis | -139.4 | 109.4 | -36.5 | -71.8 | -172 | -169.5 | 131.3 | 14 | 107.7 | D891 Y892 S989 | R889-D891 HydrophobicContact CB-CB 4.45Å; R889-D891 PolarHBondContact O-N 2.82Å; R889-Y892 PolarHBondContact O-N 2.87Å; R889-Y892 VanDerWaalsContact O-N 3.14Å; R889-S989 PolarHBondContact NH2-OG 2.75Å | ||
| 890 | D | 37.6 | Very low | 36.6 | Very low | 169 Ų | 169 | 96 Ų | 96 | 90% | 0.904 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -58.1 | -23.6 | 157.9 | -89.8 | -51.6 | 0 | 0 | 0 | 110.7 | Y892 | D890-Y892 VanDerWaalsContact C-N 3.29Å; D890-Y892 PolarHBondContact O-N 3.06Å |
| 891 | D | 35.9 | Very low | 37.8 | Very low | 42 Ų | 42 | 94.1 Ų | 94.1 | 23% | 0.225 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -76.5 | -1.5 | 176.3 | -60.6 | -64.9 | 0 | 0 | 0 | 115.4 | K810 R889 F893 S894 D895 | K810-D891 IonicContact NZ-OD1 3.66Å; K810-D891 PolarHBondContact NZ-OD1 3.05Å; K810-D891 IonicContact NZ-OD2 3.16Å; R889-D891 HydrophobicContact CB-CB 4.45Å; R889-D891 PolarHBondContact O-N 2.82Å; D891-F893 PolarHBondContact O-N 3.34Å; D891-F893 VanDerWaalsContact O-N 3.09Å; D891-S894 WeakPolarHBondContact CA-OG 3.37Å; D891-S894 WeakPolarHBondContact CB-OG 3.26Å; D891-S894 PolarHBondContact O-N 3.45Å; D891-S894 PolarHBondContact O-OG 3Å; D891-S894 VanDerWaalsContact O-OG 3.14Å; D891-S894 PolarHBondContact OD1-OG 3.3Å; D891-D895 PolarHBondContact O-N 2.76Å |
| 892 | Y | 39.8 | Very low | 39.1 | Very low | 41 Ų | 41 | 92.8 Ų | 92.8 | 16% | 0.161 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -55.2 | -36.5 | -178.6 | -173 | -82.2 | 0 | 0 | 0 | 112.5 | R889 D890 I896 S932 Q936 | R889-Y892 PolarHBondContact O-N 2.87Å; R889-Y892 VanDerWaalsContact O-N 3.14Å; D890-Y892 VanDerWaalsContact C-N 3.29Å; D890-Y892 PolarHBondContact O-N 3.06Å; Y892-I896 HydrophobicContact CD1-CD1 4.12Å; Y892-I896 HydrophobicContact CE1-CD1 3.63Å; Y892-I896 WeakPolarHBondContact O-CD1 3.33Å; Y892-I896 WeakPolarHBondContact O-CG1 3.5Å; Y892-S932 WeakPolarHBondContact CE2-OG 3.44Å; Y892-S932 VanDerWaalsContact OH-CA 3.25Å; Y892-S932 WeakPolarHBondContact OH-CA 3.36Å; Y892-S932 WeakPolarHBondContact OH-CB 3.33Å; Y892-S932 PolarHBondContact OH-OG 3.15Å; Y892-Q936 VanDerWaalsContact CZ-NE2 3.28Å; Y892-Q936 PolarHBondContact OH-NE2 2.97Å |
| 893 | F | 37.2 | Very low | 40.5 | Very low | 90 Ų | 90 | 95.8 Ų | 95.8 | 40% | 0.395 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -104.8 | 0.3 | 174.1 | -69.7 | -66.7 | 0 | 0 | 0 | 114.1 | M815 D891 I896 L901 | M815-F893 WeakPolarHBondContact CE-O 3.47Å; D891-F893 PolarHBondContact O-N 3.34Å; D891-F893 VanDerWaalsContact O-N 3.09Å; F893-I896 HydrophobicContact CD1-CD1 4.11Å; F893-I896 HydrophobicContact CE1-CD1 4.47Å; F893-L901 HydrophobicContact CD1-CD1 3.62Å; F893-L901 HydrophobicContact CE1-CD1 3.9Å |
| 894 | S | 40.5 | Very low | 42.3 | Very low | 27 Ų | 27 | 86.9 Ų | 86.9 | 19% | 0.189 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -54.8 | 174.9 | 74.8 | 0 | 0 | 0 | 0 | 109.9 | H814 D891 I896 | H814-S894 PolarHBondContact CE1-O 3.39Å; H814-S894 PolarHBondContact ND1-O 2.94Å; D891-S894 WeakPolarHBondContact CA-OG 3.37Å; D891-S894 WeakPolarHBondContact CB-OG 3.26Å; D891-S894 PolarHBondContact O-N 3.45Å; D891-S894 PolarHBondContact O-OG 3Å; D891-S894 VanDerWaalsContact O-OG 3.14Å; D891-S894 PolarHBondContact OD1-OG 3.3Å; S894-I896 PolarHBondContact O-N 3.04Å |
| 895 | D | 39.9 | Very low | 43.8 | Very low | 122 Ų | 122 | 86.9 Ų | 86.9 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -68.5 | -16.3 | -176.9 | -66.8 | -30.2 | 0 | 0 | 0 | 114.1 | D891 N897 | D891-D895 PolarHBondContact O-N 2.76Å; D895-N897 PolarHBondContact O-N 3.19Å |
| 896 | I | 47.4 | Very low | 45.3 | Very low | 8 Ų | 8 | 86.1 Ų | 86.1 | 4% | 0.041 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -75 | 98.4 | -175.9 | -66.6 | -175.3 | 0 | 0 | 0 | 110.4 | M815 Y892 F893 S894 L901 | M815-I896 WeakPolarHBondContact CE-O 3.48Å; Y892-I896 HydrophobicContact CD1-CD1 4.12Å; Y892-I896 HydrophobicContact CE1-CD1 3.63Å; Y892-I896 WeakPolarHBondContact O-CD1 3.33Å; Y892-I896 WeakPolarHBondContact O-CG1 3.5Å; F893-I896 HydrophobicContact CD1-CD1 4.11Å; F893-I896 HydrophobicContact CE1-CD1 4.47Å; S894-I896 PolarHBondContact O-N 3.04Å; I896-L901 HydrophobicContact CG2-CB 3.8Å; I896-L901 HydrophobicContact CG2-CD1 4.48Å |
| 897 | N | 44.3 | Very low | 46.8 | Very low | 79 Ų | 79 | 77.6 Ų | 77.6 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | trans | -36.1 | 134.5 | 165.9 | -179.8 | -45.5 | 0 | 0 | 0 | 111.4 | D895 R899 S900 L901 | D895-N897 PolarHBondContact O-N 3.19Å; N897-R899 CarbonylContact O-C 3.56Å; N897-R899 PolarHBondContact O-N 3.17Å; N897-R899 WeakPolarHBondContact OD1-CB 3.32Å; N897-R899 PolarHBondContact OD1-N 3.25Å; N897-S900 CarbonylContact O-C 3.16Å; N897-S900 WeakPolarHBondContact O-CA 3.27Å; N897-S900 WeakPolarHBondContact O-CB 3.49Å; N897-S900 PolarHBondContact O-N 2.9Å; N897-L901 PolarHBondContact O-N 2.89Å | ||
| 898 | P | 45.7 | Very low | 48.5 | Very low | 83 Ų | 83 | 72.6 Ų | 72.6 | 54% | 0.539 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57 | -21.7 | -176 | 20.2 | -33 | 0 | 0 | 0 | 114.7 | R902 | P898-R902 WeakPolarHBondContact O-CB 3.44Å; P898-R902 PolarHBondContact O-N 3.14Å |
| 899 | R | 49.7 | Very low | 49.7 | Very low | 198 Ų | 198 | 72.3 Ų | 72.3 | 75% | 0.747 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.9 | -44.2 | 168.4 | -66.2 | 177.9 | 174.6 | 160.1 | -1.4 | 112.3 | N897 R902 R903 | N897-R899 CarbonylContact O-C 3.56Å; N897-R899 PolarHBondContact O-N 3.17Å; N897-R899 WeakPolarHBondContact OD1-CB 3.32Å; N897-R899 PolarHBondContact OD1-N 3.25Å; R899-R902 PolarHBondContact O-N 3.38Å; R899-R903 WeakPolarHBondContact O-CG 3.44Å; R899-R903 PolarHBondContact O-N 3.05Å |
| 900 | S | 52.5 | Low | 51.1 | Low | 22 Ų | 22 | 72.5 Ų | 72.5 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.7 | -35.3 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | N897 R903 V904 | N897-S900 CarbonylContact O-C 3.16Å; N897-S900 WeakPolarHBondContact O-CA 3.27Å; N897-S900 WeakPolarHBondContact O-CB 3.49Å; N897-S900 PolarHBondContact O-N 2.9Å; S900-R903 WeakPolarHBondContact O-CB 3.37Å; S900-R903 PolarHBondContact O-N 3.2Å; S900-V904 WeakPolarHBondContact O-CG2 3.33Å; S900-V904 PolarHBondContact O-N 2.92Å |
| 901 | L | 51.1 | Low | 52.7 | Low | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 173 | -175.1 | 64.9 | 0 | 0 | 0 | 110.4 | M815 F893 I896 N897 R903 V904 V905 | M815-L901 HydrophobicContact SD-CD2 4.19Å; F893-L901 HydrophobicContact CD1-CD1 3.62Å; F893-L901 HydrophobicContact CE1-CD1 3.9Å; I896-L901 HydrophobicContact CG2-CB 3.8Å; I896-L901 HydrophobicContact CG2-CD1 4.48Å; N897-L901 PolarHBondContact O-N 2.89Å; L901-R903 VanDerWaalsContact C-N 3.28Å; L901-R903 PolarHBondContact O-N 2.94Å; L901-V904 PolarHBondContact O-N 3.02Å; L901-V905 HydrophobicContact CD1-CG2 4.37Å; L901-V905 HydrophobicContact CG-CG2 4.48Å; L901-V905 WeakPolarHBondContact O-CB 3.48Å; L901-V905 WeakPolarHBondContact O-CG2 3.41Å; L901-V905 PolarHBondContact O-N 2.67Å |
| 902 | R | 54.9 | Low | 53.8 | Low | 113 Ų | 113 | 62.6 Ų | 62.6 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -37.7 | 173.1 | -171.5 | -175.6 | -70.5 | -168.5 | -3.8 | 111.7 | M448 P898 R899 N906 | M448-R902 PolarHBondContact O-NH1 2.98Å; M448-R902 PolarHBondContact O-NH2 3.49Å; P898-R902 WeakPolarHBondContact O-CB 3.44Å; P898-R902 PolarHBondContact O-N 3.14Å; R899-R902 PolarHBondContact O-N 3.38Å; R902-N906 WeakPolarHBondContact O-CB 2.86Å; R902-N906 PolarHBondContact O-N 3.09Å; R902-N906 PolarHBondContact O-OD1 2.88Å |
| 903 | R | 60.7 | Low | 54.9 | Low | 157 Ų | 157 | 69.1 Ų | 69.1 | 59% | 0.592 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.7 | -50.7 | 173.9 | -74.6 | 176.6 | 178.9 | -176.9 | -1.3 | 112.5 | R899 S900 L901 V905 N906 A907 | R899-R903 WeakPolarHBondContact O-CG 3.44Å; R899-R903 PolarHBondContact O-N 3.05Å; S900-R903 WeakPolarHBondContact O-CB 3.37Å; S900-R903 PolarHBondContact O-N 3.2Å; L901-R903 VanDerWaalsContact C-N 3.28Å; L901-R903 PolarHBondContact O-N 2.94Å; R903-V905 PolarHBondContact O-N 3.49Å; R903-N906 PolarHBondContact O-N 3.43Å; R903-A907 VanDerWaalsContact O-CB 3.31Å; R903-A907 WeakPolarHBondContact O-CB 2.99Å; R903-A907 PolarHBondContact O-N 3.46Å |
| 904 | V | 62.4 | Low | 56.4 | Low | 10 Ų | 10 | 67.8 Ų | 67.8 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 179 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | S900 L901 A907 L908 I931 E935 | S900-V904 WeakPolarHBondContact O-CG2 3.33Å; S900-V904 PolarHBondContact O-N 2.92Å; L901-V904 PolarHBondContact O-N 3.02Å; V904-A907 PolarHBondContact O-N 3.29Å; V904-L908 WeakPolarHBondContact O-CB 3.46Å; V904-L908 PolarHBondContact O-N 3.26Å; V904-I931 HydrophobicContact CG1-CG2 4.42Å; V904-E935 HydrophobicContact CG2-CB 4.43Å; V904-E935 HydrophobicContact CG2-CG 3.74Å |
| 905 | V | 55.8 | Low | 57.6 | Low | 68 Ų | 68 | 66.5 Ų | 66.5 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | L901 R903 L908 S909 | L901-V905 HydrophobicContact CD1-CG2 4.37Å; L901-V905 HydrophobicContact CG-CG2 4.48Å; L901-V905 WeakPolarHBondContact O-CB 3.48Å; L901-V905 WeakPolarHBondContact O-CG2 3.41Å; L901-V905 PolarHBondContact O-N 2.67Å; R903-V905 PolarHBondContact O-N 3.49Å; V905-L908 PolarHBondContact O-N 2.86Å; V905-S909 WeakPolarHBondContact O-CB 3.39Å; V905-S909 PolarHBondContact O-N 2.82Å; V905-S909 PolarHBondContact O-OG 3.32Å |
| 906 | N | 62.6 | Low | 58.6 | Low | 83 Ų | 83 | 64.6 Ų | 64.6 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 175.9 | -75.7 | 7.5 | 0 | 0 | 0 | 111.2 | R902 R903 S909 L910 | R902-N906 WeakPolarHBondContact O-CB 2.86Å; R902-N906 PolarHBondContact O-N 3.09Å; R902-N906 PolarHBondContact O-OD1 2.88Å; R903-N906 PolarHBondContact O-N 3.43Å; N906-S909 PolarHBondContact O-N 2.77Å; N906-S909 PolarHBondContact O-OG 3.44Å; N906-L910 WeakPolarHBondContact O-CB 3.48Å; N906-L910 PolarHBondContact O-N 3.28Å |
| 907 | A | 64.5 | Low | 59.1 | Low | 5 Ų | 5 | 67.9 Ų | 67.9 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R903 V904 S909 L910 T911 I931 | R903-A907 VanDerWaalsContact O-CB 3.31Å; R903-A907 WeakPolarHBondContact O-CB 2.99Å; R903-A907 PolarHBondContact O-N 3.46Å; V904-A907 PolarHBondContact O-N 3.29Å; A907-S909 VanDerWaalsContact C-N 3.29Å; A907-S909 PolarHBondContact O-N 3.32Å; A907-L910 PolarHBondContact O-N 3.43Å; A907-T911 VanDerWaalsContact O-CG2 3.29Å; A907-T911 WeakPolarHBondContact O-CG2 3.26Å; A907-T911 PolarHBondContact O-N 2.98Å; A907-T911 PolarHBondContact O-OG1 3.26Å; A907-T911 VanDerWaalsContact O-OG1 3.06Å; A907-I931 HydrophobicContact CB-CG2 4.15Å |
| 908 | L | 63 | Low | 59.9 | Low | 39 Ų | 39 | 67.7 Ų | 67.7 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 175.6 | -178.2 | 63.3 | 0 | 0 | 0 | 112.3 | V904 V905 T911 G912 W924 L927 A928 I931 | V904-L908 WeakPolarHBondContact O-CB 3.46Å; V904-L908 PolarHBondContact O-N 3.26Å; V905-L908 PolarHBondContact O-N 2.86Å; L908-T911 PolarHBondContact O-OG1 2.86Å; L908-G912 PolarHBondContact O-N 2.9Å; L908-W924 HydrophobicContact CD1-CE3 3.93Å; L908-W924 HydrophobicContact CD1-CZ3 4.04Å; L908-W924 HydrophobicContact CG-CE3 4.13Å; L908-W924 HydrophobicContact CG-CZ3 3.97Å; L908-W924 WeakPolarHBondContact O-CZ3 3.36Å; L908-L927 HydrophobicContact CD1-CB 4.35Å; L908-L927 HydrophobicContact CD1-CD2 3.78Å; L908-L927 HydrophobicContact CD1-CG 3.77Å; L908-A928 HydrophobicContact CD1-CB 4.37Å; L908-I931 HydrophobicContact CB-CD1 4.04Å; L908-I931 HydrophobicContact CD1-CD1 3.96Å |
| 909 | S | 60.8 | Low | 60.7 | Low | 41 Ų | 41 | 69.2 Ų | 69.2 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.4 | -34.8 | 174.9 | 81.2 | 0 | 0 | 0 | 0 | 112.8 | V905 N906 A907 R913 | V905-S909 WeakPolarHBondContact O-CB 3.39Å; V905-S909 PolarHBondContact O-N 2.82Å; V905-S909 PolarHBondContact O-OG 3.32Å; N906-S909 PolarHBondContact O-N 2.77Å; N906-S909 PolarHBondContact O-OG 3.44Å; A907-S909 VanDerWaalsContact C-N 3.29Å; A907-S909 PolarHBondContact O-N 3.32Å; S909-R913 VanDerWaalsContact O-CB 3.23Å; S909-R913 WeakPolarHBondContact O-CB 3.43Å; S909-R913 VanDerWaalsContact O-CD 3.31Å; S909-R913 WeakPolarHBondContact O-CD 3.27Å; S909-R913 WeakPolarHBondContact O-CG 3.17Å; S909-R913 PolarHBondContact O-N 2.81Å |
| 910 | L | 67.4 | Low | 61.2 | Low | 82 Ų | 82 | 61.8 Ų | 61.8 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.2 | -52.2 | -177.3 | -173.5 | 112.5 | 0 | 0 | 0 | 111.3 | N906 A907 G912 R913 L914 | N906-L910 WeakPolarHBondContact O-CB 3.48Å; N906-L910 PolarHBondContact O-N 3.28Å; A907-L910 PolarHBondContact O-N 3.43Å; L910-G912 VanDerWaalsContact C-N 3.3Å; L910-G912 PolarHBondContact O-N 3.5Å; L910-R913 PolarHBondContact O-N 3.32Å; L910-R913 VanDerWaalsContact O-N 3.16Å; L910-L914 HydrophobicContact CD2-CD1 3.92Å; L910-L914 HydrophobicContact CG-CD1 4.22Å; L910-L914 WeakPolarHBondContact O-CG 3.29Å; L910-L914 PolarHBondContact O-N 2.94Å |
| 911 | T | 70.8 | Confident | 61.6 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.9 | 61.9 | 0 | 0 | 0 | 0 | 111 | A907 L908 L914 M915 I931 F1010 | A907-T911 VanDerWaalsContact O-CG2 3.29Å; A907-T911 WeakPolarHBondContact O-CG2 3.26Å; A907-T911 PolarHBondContact O-N 2.98Å; A907-T911 PolarHBondContact O-OG1 3.26Å; A907-T911 VanDerWaalsContact O-OG1 3.06Å; L908-T911 PolarHBondContact O-OG1 2.86Å; T911-L914 PolarHBondContact O-N 3.45Å; T911-M915 PolarHBondContact O-N 3.37Å; T911-I931 HydrophobicContact CG2-CD1 4.1Å; T911-I931 WeakPolarHBondContact OG1-CD1 3.45Å; T911-F1010 WeakPolarHBondContact CG2-O 3.33Å |
| 912 | G | 59.8 | Low | 62.2 | Low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.4 | -30.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L908 L910 R916 | L908-G912 PolarHBondContact O-N 2.9Å; L910-G912 VanDerWaalsContact C-N 3.3Å; L910-G912 PolarHBondContact O-N 3.5Å; G912-R916 WeakPolarHBondContact O-CB 3.37Å; G912-R916 VanDerWaalsContact O-CG 3.26Å; G912-R916 WeakPolarHBondContact O-CG 3.37Å; G912-R916 PolarHBondContact O-N 3.05Å |
| 913 | R | 61.8 | Low | 62.6 | Low | 178 Ų | 178 | 66 Ų | 66 | 67% | 0.672 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.3 | -41.9 | 169.6 | -80.4 | 168.5 | -175.3 | -160.1 | 1.6 | 111.6 | S909 L910 R916 A917 | S909-R913 VanDerWaalsContact O-CB 3.23Å; S909-R913 WeakPolarHBondContact O-CB 3.43Å; S909-R913 VanDerWaalsContact O-CD 3.31Å; S909-R913 WeakPolarHBondContact O-CD 3.27Å; S909-R913 WeakPolarHBondContact O-CG 3.17Å; S909-R913 PolarHBondContact O-N 2.81Å; L910-R913 PolarHBondContact O-N 3.32Å; L910-R913 VanDerWaalsContact O-N 3.16Å; R913-R916 PolarHBondContact O-N 3.4Å; R913-A917 WeakPolarHBondContact O-CB 3.34Å; R913-A917 PolarHBondContact O-N 3.02Å |
| 914 | L | 69.7 | Low | 62.6 | Low | 63 Ų | 63 | 61.4 Ų | 61.4 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 177.1 | -72.6 | 167.6 | 0 | 0 | 0 | 111.3 | L910 T911 R916 A917 F918 F1010 | L910-L914 HydrophobicContact CD2-CD1 3.92Å; L910-L914 HydrophobicContact CG-CD1 4.22Å; L910-L914 WeakPolarHBondContact O-CG 3.29Å; L910-L914 PolarHBondContact O-N 2.94Å; T911-L914 PolarHBondContact O-N 3.45Å; L914-R916 VanDerWaalsContact C-N 3.32Å; L914-R916 PolarHBondContact O-N 3Å; L914-A917 WeakPolarHBondContact O-CA 3.32Å; L914-A917 WeakPolarHBondContact O-CB 3.44Å; L914-A917 PolarHBondContact O-N 2.92Å; L914-F918 HydrophobicContact CD2-CE2 4.3Å; L914-F918 WeakPolarHBondContact O-CD2 3.29Å; L914-F918 PolarHBondContact O-N 3.28Å; L914-F1010 HydrophobicContact CB-CB 4.35Å; L914-F1010 HydrophobicContact CB-CD1 4.17Å |
| 915 | M | 65 | Low | 62.5 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 178 | -73 | -170.1 | -67.2 | 0 | 0 | 112.6 | T911 A917 F918 E919 I920 F922 L927 F1007 F1010 | T911-M915 PolarHBondContact O-N 3.37Å; M915-A917 PolarHBondContact O-N 3.25Å; M915-F918 PolarHBondContact O-N 2.95Å; M915-E919 PolarHBondContact O-N 2.89Å; M915-I920 HydrophobicContact CB-CB 4.19Å; M915-I920 HydrophobicContact CB-CG2 4.42Å; M915-I920 HydrophobicContact CG-CG2 4.39Å; M915-I920 PolarHBondContact O-N 3.37Å; M915-I920 HydrophobicContact SD-CG2 4.31Å; M915-F922 HydrophobicContact CB-CD1 3.63Å; M915-F922 HydrophobicContact CB-CE1 3.55Å; M915-F922 HydrophobicContact CB-CZ 4.46Å; M915-F922 HydrophobicContact CE-CB 3.97Å; M915-F922 HydrophobicContact CE-CD1 3.62Å; M915-F922 HydrophobicContact CE-CD2 3.65Å; M915-F922 HydrophobicContact CE-CE1 3.95Å; M915-F922 HydrophobicContact CE-CE2 3.97Å; M915-F922 HydrophobicContact CE-CG 3.46Å; M915-F922 VanDerWaalsContact CE-CG 3.46Å; M915-F922 HydrophobicContact CE-CZ 4.11Å; M915-F922 HydrophobicContact CG-CD1 4.42Å; M915-F922 HydrophobicContact SD-CB 4.18Å; M915-F922 HydrophobicContact SD-CD1 4Å; M915-F922 HydrophobicContact SD-CG 4.11Å; M915-L927 HydrophobicContact CE-CD1 3.58Å; M915-L927 HydrophobicContact CE-CD2 3.55Å; M915-L927 HydrophobicContact CE-CG 4.09Å; M915-F1007 HydrophobicContact CE-CD1 4.09Å; M915-F1007 HydrophobicContact CE-CE1 4.17Å; M915-F1007 HydrophobicContact SD-CD1 3.67Å; M915-F1007 HydrophobicContact SD-CE1 3.99Å; M915-F1010 HydrophobicContact CG-CB 4Å; M915-F1010 HydrophobicContact CG-CD1 4.44Å; M915-F1010 HydrophobicContact CG-CD2 3.43Å; M915-F1010 VanDerWaalsContact CG-CD2 3.43Å; M915-F1010 HydrophobicContact CG-CE2 4.09Å; M915-F1010 HydrophobicContact CG-CG 3.65Å; M915-F1010 HydrophobicContact SD-CD2 4Å |
| 916 | R | 60.1 | Low | 63.1 | Low | 81 Ų | 81 | 59.3 Ų | 59.3 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -40 | 171.2 | -74.4 | -179 | -165.9 | 179.6 | 9.2 | 112.5 | W858 G912 R913 L914 F918 E919 F922 | W858-R916 VanDerWaalsContact CB-NH2 3.3Å; G912-R916 WeakPolarHBondContact O-CB 3.37Å; G912-R916 VanDerWaalsContact O-CG 3.26Å; G912-R916 WeakPolarHBondContact O-CG 3.37Å; G912-R916 PolarHBondContact O-N 3.05Å; R913-R916 PolarHBondContact O-N 3.4Å; L914-R916 VanDerWaalsContact C-N 3.32Å; L914-R916 PolarHBondContact O-N 3Å; R916-F918 VanDerWaalsContact C-N 3.28Å; R916-F918 PolarHBondContact O-N 3.45Å; R916-E919 PolarHBondContact O-N 3.42Å; R916-F922 HydrophobicContact CG-CE1 4.11Å; R916-F922 HydrophobicContact CG-CZ 4.39Å |
| 917 | A | 59.3 | Low | 63.6 | Low | 78 Ų | 78 | 55.4 Ų | 55.4 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.5 | -27 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R913 L914 M915 | R913-A917 WeakPolarHBondContact O-CB 3.34Å; R913-A917 PolarHBondContact O-N 3.02Å; L914-A917 WeakPolarHBondContact O-CA 3.32Å; L914-A917 WeakPolarHBondContact O-CB 3.44Å; L914-A917 PolarHBondContact O-N 2.92Å; M915-A917 PolarHBondContact O-N 3.25Å |
| 918 | F | 61.3 | Low | 63.6 | Low | 74 Ų | 74 | 57 Ų | 57 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 10.7 | 174.7 | -65.6 | -64 | 0 | 0 | 0 | 114.3 | L914 M915 R916 I920 F1010 P1071 | L914-F918 HydrophobicContact CD2-CE2 4.3Å; L914-F918 WeakPolarHBondContact O-CD2 3.29Å; L914-F918 PolarHBondContact O-N 3.28Å; M915-F918 PolarHBondContact O-N 2.95Å; R916-F918 VanDerWaalsContact C-N 3.28Å; R916-F918 PolarHBondContact O-N 3.45Å; F918-I920 VanDerWaalsContact C-N 3.31Å; F918-I920 HydrophobicContact CB-CD1 4Å; F918-I920 HydrophobicContact CB-CG1 4.26Å; F918-I920 PolarHBondContact O-N 2.75Å; F918-F1010 AromaticContact CD2-CD1 3.86Å; F918-F1010 HydrophobicContact CD2-CD1 3.86Å; F918-F1010 AromaticContact CD2-CE1 3.34Å; F918-F1010 HydrophobicContact CD2-CE1 3.34Å; F918-F1010 HydrophobicContact CD2-CZ 4.27Å; F918-F1010 HydrophobicContact CE2-CD1 4.11Å; F918-F1010 AromaticContact CE2-CE1 3.77Å; F918-F1010 HydrophobicContact CE2-CE1 3.77Å; F918-F1010 HydrophobicContact CG-CE1 4.13Å; F918-P1071 HydrophobicContact CD1-CB 4.17Å; F918-P1071 HydrophobicContact CE1-CB 3.98Å; F918-P1071 HydrophobicContact CE1-CG 4.33Å |
| 919 | E | 61 | Low | 64.1 | Low | 115 Ų | 115 | 57 Ų | 57 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 34 | -178.1 | -56.8 | -177.9 | 133.9 | 0 | 0 | 114.3 | M915 R916 K1076 | M915-E919 PolarHBondContact O-N 2.89Å; R916-E919 PolarHBondContact O-N 3.42Å; E919-K1076 IonicContact OE2-NZ 3.92Å; E919-K1076 PolarHBondContact OE2-NZ 2.68Å |
| 920 | I | 61.8 | Low | 65 | Low | 43 Ų | 43 | 55 Ų | 55 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | trans | -96.5 | 130.3 | -179.5 | -65.6 | 170.5 | 0 | 0 | 0 | 110.6 | M915 F918 F922 T1006 F1010 | M915-I920 HydrophobicContact CB-CB 4.19Å; M915-I920 HydrophobicContact CB-CG2 4.42Å; M915-I920 HydrophobicContact CG-CG2 4.39Å; M915-I920 PolarHBondContact O-N 3.37Å; M915-I920 HydrophobicContact SD-CG2 4.31Å; F918-I920 VanDerWaalsContact C-N 3.31Å; F918-I920 HydrophobicContact CB-CD1 4Å; F918-I920 HydrophobicContact CB-CG1 4.26Å; F918-I920 PolarHBondContact O-N 2.75Å; I920-F922 WeakPolarHBondContact O-CD1 3.44Å; I920-T1006 HydrophobicContact CG2-CG2 3.95Å; I920-F1010 HydrophobicContact CD1-CD2 4.45Å; I920-F1010 HydrophobicContact CD1-CE1 4.25Å; I920-F1010 HydrophobicContact CD1-CE2 3.37Å; I920-F1010 HydrophobicContact CD1-CZ 3.24Å | ||
| 921 | E | 59.9 | Low | 65.4 | Low | 178 Ų | 178 | 51.4 Ų | 51.4 | 83% | 0.832 | 26% | 0.255 | S | S | * | . | trans | -82.4 | 134.6 | 176.3 | -62.8 | -175.9 | 179.7 | 0 | 0 | 111.1 | ||||
| 922 | F | 63.5 | Low | 65.6 | Low | 43 Ų | 43 | 51.6 Ų | 51.6 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | trans | -153.9 | 157.5 | 178.9 | 64.4 | -84.9 | 0 | 0 | 0 | 111.9 | M915 R916 I920 W924 L927 F1007 | M915-F922 HydrophobicContact CB-CD1 3.63Å; M915-F922 HydrophobicContact CB-CE1 3.55Å; M915-F922 HydrophobicContact CB-CZ 4.46Å; M915-F922 HydrophobicContact CE-CB 3.97Å; M915-F922 HydrophobicContact CE-CD1 3.62Å; M915-F922 HydrophobicContact CE-CD2 3.65Å; M915-F922 HydrophobicContact CE-CE1 3.95Å; M915-F922 HydrophobicContact CE-CE2 3.97Å; M915-F922 HydrophobicContact CE-CG 3.46Å; M915-F922 VanDerWaalsContact CE-CG 3.46Å; M915-F922 HydrophobicContact CE-CZ 4.11Å; M915-F922 HydrophobicContact CG-CD1 4.42Å; M915-F922 HydrophobicContact SD-CB 4.18Å; M915-F922 HydrophobicContact SD-CD1 4Å; M915-F922 HydrophobicContact SD-CG 4.11Å; R916-F922 HydrophobicContact CG-CE1 4.11Å; R916-F922 HydrophobicContact CG-CZ 4.39Å; I920-F922 WeakPolarHBondContact O-CD1 3.44Å; F922-W924 AromaticContact CE2-CD2 3.89Å; F922-W924 HydrophobicContact CE2-CD2 3.89Å; F922-W924 AromaticContact CE2-CE2 3.44Å; F922-W924 VanDerWaalsContact CE2-CE2 3.44Å; F922-W924 HydrophobicContact CE2-CE3 4.36Å; F922-W924 HydrophobicContact CE2-CG 4.34Å; F922-W924 HydrophobicContact CE2-CH2 4.05Å; F922-W924 AromaticContact CE2-CZ2 3.5Å; F922-W924 HydrophobicContact CE2-CZ2 3.5Å; F922-W924 VanDerWaalsContact CE2-CZ2 3.5Å; F922-W924 HydrophobicContact CE2-CZ3 4.45Å; F922-W924 AromaticContact CE2-NE1 3.76Å; F922-W924 AromaticContact CZ-CE2 3.8Å; F922-W924 HydrophobicContact CZ-CH2 4.07Å; F922-W924 AromaticContact CZ-CZ2 3.43Å; F922-W924 HydrophobicContact CZ-CZ2 3.43Å; F922-W924 VanDerWaalsContact CZ-CZ2 3.43Å; F922-L927 HydrophobicContact CD2-CB 4.18Å; F922-L927 HydrophobicContact CD2-CD2 3.75Å; F922-L927 HydrophobicContact CE2-CD2 3.5Å; F922-L927 VanDerWaalsContact CE2-CD2 3.5Å; F922-L927 HydrophobicContact CZ-CD2 4.35Å; F922-F1007 HydrophobicContact CB-CE1 3.9Å; F922-F1007 HydrophobicContact CB-CZ 4.49Å | ||
| 923 | S | 62.9 | Low | 66.5 | Low | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 26% | 0.257 | S | S | . | . | trans | -93 | 133.4 | 168.8 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | V925 T926 L927 | S923-V925 PolarHBondContact O-N 3.03Å; S923-V925 PolarHBondContact OG-N 3.46Å; S923-T926 WeakPolarHBondContact CB-OG1 3.48Å; S923-T926 PolarHBondContact O-N 2.79Å; S923-T926 PolarHBondContact O-OG1 3.11Å; S923-L927 WeakPolarHBondContact O-CB 3.45Å; S923-L927 PolarHBondContact O-N 3.18Å | ||
| 924 | W | 60.6 | Low | 67.4 | Low | 61 Ų | 61 | 43.4 Ų | 43.4 | 23% | 0.231 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -27.1 | 173.3 | -72.7 | 88.7 | 0 | 0 | 0 | 112.3 | S859 L908 F922 L927 A928 | S859-W924 VanDerWaalsContact OG-CD1 3.31Å; L908-W924 HydrophobicContact CD1-CE3 3.93Å; L908-W924 HydrophobicContact CD1-CZ3 4.04Å; L908-W924 HydrophobicContact CG-CE3 4.13Å; L908-W924 HydrophobicContact CG-CZ3 3.97Å; L908-W924 WeakPolarHBondContact O-CZ3 3.36Å; F922-W924 AromaticContact CE2-CD2 3.89Å; F922-W924 HydrophobicContact CE2-CD2 3.89Å; F922-W924 AromaticContact CE2-CE2 3.44Å; F922-W924 VanDerWaalsContact CE2-CE2 3.44Å; F922-W924 HydrophobicContact CE2-CE3 4.36Å; F922-W924 HydrophobicContact CE2-CG 4.34Å; F922-W924 HydrophobicContact CE2-CH2 4.05Å; F922-W924 AromaticContact CE2-CZ2 3.5Å; F922-W924 HydrophobicContact CE2-CZ2 3.5Å; F922-W924 VanDerWaalsContact CE2-CZ2 3.5Å; F922-W924 HydrophobicContact CE2-CZ3 4.45Å; F922-W924 AromaticContact CE2-NE1 3.76Å; F922-W924 AromaticContact CZ-CE2 3.8Å; F922-W924 HydrophobicContact CZ-CH2 4.07Å; F922-W924 AromaticContact CZ-CZ2 3.43Å; F922-W924 HydrophobicContact CZ-CZ2 3.43Å; F922-W924 VanDerWaalsContact CZ-CZ2 3.43Å; W924-L927 HydrophobicContact CZ3-CD2 4.42Å; W924-A928 WeakPolarHBondContact O-CB 3.37Å; W924-A928 PolarHBondContact O-N 3.47Å |
| 925 | V | 60.2 | Low | 67.7 | Low | 25 Ų | 25 | 41.4 Ų | 41.4 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.8 | -50.2 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 110.8 | H828 S923 L927 A928 H929 P997 | H828-V925 HydrophobicContact CB-CG2 4.18Å; S923-V925 PolarHBondContact O-N 3.03Å; S923-V925 PolarHBondContact OG-N 3.46Å; V925-L927 VanDerWaalsContact C-N 3.34Å; V925-L927 PolarHBondContact O-N 3.44Å; V925-A928 PolarHBondContact O-N 3.32Å; V925-H929 PolarHBondContact O-N 3.11Å; V925-H929 PolarHBondContact O-ND1 2.8Å; V925-P997 HydrophobicContact CB-CG 4.39Å; V925-P997 HydrophobicContact CG1-CG 3.78Å |
| 926 | T | 69.8 | Low | 68.1 | Low | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 178.3 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | S923 A928 H929 W930 P997 L999 | S923-T926 WeakPolarHBondContact CB-OG1 3.48Å; S923-T926 PolarHBondContact O-N 2.79Å; S923-T926 PolarHBondContact O-OG1 3.11Å; T926-A928 PolarHBondContact O-N 3.17Å; T926-H929 PolarHBondContact O-N 3.2Å; T926-W930 WeakPolarHBondContact O-CB 3.49Å; T926-W930 PolarHBondContact O-N 3.21Å; T926-P997 HydrophobicContact CG2-CB 3.87Å; T926-P997 HydrophobicContact CG2-CG 3.53Å; T926-L999 HydrophobicContact CG2-CD2 4.1Å |
| 927 | L | 72.8 | Confident | 69.2 | Low | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 173.6 | -176.9 | 61.4 | 0 | 0 | 0 | 112.6 | L908 M915 F922 S923 W924 V925 W930 I931 F1007 | L908-L927 HydrophobicContact CD1-CB 4.35Å; L908-L927 HydrophobicContact CD1-CD2 3.78Å; L908-L927 HydrophobicContact CD1-CG 3.77Å; M915-L927 HydrophobicContact CE-CD1 3.58Å; M915-L927 HydrophobicContact CE-CD2 3.55Å; M915-L927 HydrophobicContact CE-CG 4.09Å; F922-L927 HydrophobicContact CD2-CB 4.18Å; F922-L927 HydrophobicContact CD2-CD2 3.75Å; F922-L927 HydrophobicContact CE2-CD2 3.5Å; F922-L927 VanDerWaalsContact CE2-CD2 3.5Å; F922-L927 HydrophobicContact CZ-CD2 4.35Å; S923-L927 WeakPolarHBondContact O-CB 3.45Å; S923-L927 PolarHBondContact O-N 3.18Å; W924-L927 HydrophobicContact CZ3-CD2 4.42Å; V925-L927 VanDerWaalsContact C-N 3.34Å; V925-L927 PolarHBondContact O-N 3.44Å; L927-W930 PolarHBondContact O-N 3.49Å; L927-I931 HydrophobicContact CD1-CD1 3.89Å; L927-I931 HydrophobicContact CD1-CG1 4.28Å; L927-I931 HydrophobicContact CG-CD1 3.92Å; L927-I931 WeakPolarHBondContact O-CG1 3.4Å; L927-I931 PolarHBondContact O-N 3.01Å; L927-F1007 HydrophobicContact CD1-CD1 4.41Å; L927-F1007 HydrophobicContact CD1-CG 4.48Å |
| 928 | A | 64.4 | Low | 70.4 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 31% | 0.314 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L908 W924 V925 T926 W930 I931 S932 | L908-A928 HydrophobicContact CD1-CB 4.37Å; W924-A928 WeakPolarHBondContact O-CB 3.37Å; W924-A928 PolarHBondContact O-N 3.47Å; V925-A928 PolarHBondContact O-N 3.32Å; T926-A928 PolarHBondContact O-N 3.17Å; A928-W930 VanDerWaalsContact C-N 3.35Å; A928-I931 PolarHBondContact O-N 3.43Å; A928-S932 WeakPolarHBondContact O-CB 3.34Å; A928-S932 PolarHBondContact O-N 3.37Å |
| 929 | H | 72.8 | Confident | 71.5 | Confident | 39 Ų | 39 | 32.4 Ų | 32.4 | 18% | 0.181 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -35.3 | 174.6 | -72.3 | 78.7 | 0 | 0 | 0 | 112.1 | V925 T926 S932 L933 Y990 V995 L999 | V925-H929 PolarHBondContact O-N 3.11Å; V925-H929 PolarHBondContact O-ND1 2.8Å; T926-H929 PolarHBondContact O-N 3.2Å; H929-S932 WeakPolarHBondContact O-CB 3.23Å; H929-L933 WeakPolarHBondContact O-CG 3.19Å; H929-L933 PolarHBondContact O-N 3.35Å; H929-Y990 PolarHBondContact CD2-OH 2.99Å; H929-V995 WeakPolarHBondContact NE2-CG1 3.39Å; H929-L999 HydrophobicContact CB-CD1 4Å |
| 930 | W | 80.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 174.1 | 175.4 | -115.8 | 0 | 0 | 0 | 112.4 | T926 L927 A928 S932 L933 I934 M941 I945 L999 M1004 F1007 I1008 | T926-W930 WeakPolarHBondContact O-CB 3.49Å; T926-W930 PolarHBondContact O-N 3.21Å; L927-W930 PolarHBondContact O-N 3.49Å; A928-W930 VanDerWaalsContact C-N 3.35Å; W930-S932 VanDerWaalsContact C-N 3.29Å; W930-S932 PolarHBondContact O-N 3.24Å; W930-L933 PolarHBondContact O-N 3.02Å; W930-I934 HydrophobicContact CD2-CD1 4.1Å; W930-I934 HydrophobicContact CD2-CG1 4.45Å; W930-I934 VanDerWaalsContact CE2-CD1 3.45Å; W930-I934 HydrophobicContact CG-CD1 4.44Å; W930-I934 HydrophobicContact CH2-CD1 4.46Å; W930-I934 HydrophobicContact CZ2-CD1 3.69Å; W930-I934 HydrophobicContact CZ2-CG1 4.32Å; W930-I934 WeakPolarHBondContact O-CG1 3.37Å; W930-I934 PolarHBondContact O-N 3.35Å; W930-M941 HydrophobicContact CE3-CE 4.04Å; W930-M941 HydrophobicContact CH2-CE 4.05Å; W930-M941 HydrophobicContact CZ3-CE 3.34Å; W930-I945 HydrophobicContact CH2-CD1 4.17Å; W930-I945 HydrophobicContact CH2-CG1 4.47Å; W930-L999 HydrophobicContact CB-CD1 4.43Å; W930-M1004 HydrophobicContact CE3-CG 4.48Å; W930-M1004 HydrophobicContact CH2-CG 3.32Å; W930-M1004 HydrophobicContact CH2-SD 4.14Å; W930-M1004 HydrophobicContact CZ2-CG 4.21Å; W930-M1004 HydrophobicContact CZ3-CB 4.46Å; W930-M1004 HydrophobicContact CZ3-CG 3.48Å; W930-M1004 VanDerWaalsContact CZ3-CG 3.48Å; W930-M1004 HydrophobicContact CZ3-SD 4.21Å; W930-F1007 HydrophobicContact CB-CD2 3.69Å; W930-F1007 HydrophobicContact CB-CE2 4.13Å; W930-F1007 AromaticContact CD1-CD2 3.72Å; W930-F1007 AromaticContact CD1-CG 3.89Å; W930-F1007 HydrophobicContact CD2-CB 4.24Å; W930-F1007 HydrophobicContact CD2-CD2 4.15Å; W930-F1007 HydrophobicContact CG-CB 3.98Å; W930-F1007 AromaticContact CG-CD2 3.57Å; W930-F1007 HydrophobicContact CG-CD2 3.57Å; W930-F1007 HydrophobicContact CG-CE2 4.47Å; W930-F1007 HydrophobicContact CG-CG 4.19Å; W930-I1008 HydrophobicContact CH2-CG1 4.17Å; W930-I1008 HydrophobicContact CZ2-CG1 3.78Å |
| 931 | I | 76.5 | Confident | 73.8 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.2 | -34.1 | 178.3 | -66.6 | 170.2 | 0 | 0 | 0 | 110.9 | V904 A907 L908 T911 L927 A928 I934 E935 | V904-I931 HydrophobicContact CG1-CG2 4.42Å; A907-I931 HydrophobicContact CB-CG2 4.15Å; L908-I931 HydrophobicContact CB-CD1 4.04Å; L908-I931 HydrophobicContact CD1-CD1 3.96Å; T911-I931 HydrophobicContact CG2-CD1 4.1Å; T911-I931 WeakPolarHBondContact OG1-CD1 3.45Å; L927-I931 HydrophobicContact CD1-CD1 3.89Å; L927-I931 HydrophobicContact CD1-CG1 4.28Å; L927-I931 HydrophobicContact CG-CD1 3.92Å; L927-I931 WeakPolarHBondContact O-CG1 3.4Å; L927-I931 PolarHBondContact O-N 3.01Å; A928-I931 PolarHBondContact O-N 3.43Å; I931-I934 PolarHBondContact O-N 3.45Å; I931-E935 WeakPolarHBondContact O-CB 3.19Å; I931-E935 PolarHBondContact O-N 3.3Å |
| 932 | S | 73.7 | Confident | 75 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 5% | 0.049 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.1 | -52.9 | 169.2 | 163.2 | 0 | 0 | 0 | 0 | 112 | Y892 A928 H929 W930 I934 E935 Q936 | Y892-S932 WeakPolarHBondContact CE2-OG 3.44Å; Y892-S932 VanDerWaalsContact OH-CA 3.25Å; Y892-S932 WeakPolarHBondContact OH-CA 3.36Å; Y892-S932 WeakPolarHBondContact OH-CB 3.33Å; Y892-S932 PolarHBondContact OH-OG 3.15Å; A928-S932 WeakPolarHBondContact O-CB 3.34Å; A928-S932 PolarHBondContact O-N 3.37Å; H929-S932 WeakPolarHBondContact O-CB 3.23Å; W930-S932 VanDerWaalsContact C-N 3.29Å; W930-S932 PolarHBondContact O-N 3.24Å; S932-I934 PolarHBondContact O-N 3.38Å; S932-E935 PolarHBondContact O-N 3.18Å; S932-Q936 WeakPolarHBondContact O-CG 3.12Å; S932-Q936 PolarHBondContact O-N 3.39Å |
| 933 | L | 79 | Confident | 75.9 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 178.8 | -80.4 | 172.1 | 0 | 0 | 0 | 112.1 | H929 W930 Q936 W937 M941 L987 Y990 F991 L999 | H929-L933 WeakPolarHBondContact O-CG 3.19Å; H929-L933 PolarHBondContact O-N 3.35Å; W930-L933 PolarHBondContact O-N 3.02Å; L933-Q936 PolarHBondContact O-N 3.17Å; L933-W937 HydrophobicContact CD2-CE3 3.83Å; L933-W937 HydrophobicContact CD2-CZ3 4.01Å; L933-W937 PolarHBondContact O-N 3.48Å; L933-M941 HydrophobicContact CB-CE 3.93Å; L933-M941 HydrophobicContact CB-CG 4.16Å; L933-M941 HydrophobicContact CB-SD 3.89Å; L933-M941 HydrophobicContact CD1-CE 4Å; L933-M941 HydrophobicContact CD1-SD 4.14Å; L933-M941 HydrophobicContact CD2-SD 4.06Å; L933-M941 HydrophobicContact CG-CE 4.5Å; L933-M941 HydrophobicContact CG-SD 4.27Å; L933-L987 HydrophobicContact CD2-CD1 3.56Å; L933-Y990 HydrophobicContact CD1-CE1 4.25Å; L933-Y990 HydrophobicContact CD2-CD1 3.75Å; L933-Y990 HydrophobicContact CD2-CE1 3.45Å; L933-Y990 VanDerWaalsContact CD2-CE1 3.45Å; L933-Y990 HydrophobicContact CG-CE1 3.86Å; L933-F991 HydrophobicContact CD2-CZ 4.36Å; L933-L999 HydrophobicContact CD1-CD1 3.68Å |
| 934 | I | 81.4 | Confident | 77 | Confident | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 178.1 | -65.4 | 178.5 | 0 | 0 | 0 | 111.9 | W930 I931 S932 Q936 P938 N1013 L1014 | W930-I934 HydrophobicContact CD2-CD1 4.1Å; W930-I934 HydrophobicContact CD2-CG1 4.45Å; W930-I934 VanDerWaalsContact CE2-CD1 3.45Å; W930-I934 HydrophobicContact CG-CD1 4.44Å; W930-I934 HydrophobicContact CH2-CD1 4.46Å; W930-I934 HydrophobicContact CZ2-CD1 3.69Å; W930-I934 HydrophobicContact CZ2-CG1 4.32Å; W930-I934 WeakPolarHBondContact O-CG1 3.37Å; W930-I934 PolarHBondContact O-N 3.35Å; I931-I934 PolarHBondContact O-N 3.45Å; S932-I934 PolarHBondContact O-N 3.38Å; I934-Q936 VanDerWaalsContact C-N 3.33Å; I934-Q936 PolarHBondContact O-N 3.4Å; I934-P938 WeakPolarHBondContact O-CD 3.31Å; I934-N1013 HydrophobicContact CG2-CB 3.71Å; I934-L1014 HydrophobicContact CD1-CB 4.18Å; I934-L1014 HydrophobicContact CD1-CD1 4.13Å; I934-L1014 HydrophobicContact CG1-CD1 3.85Å; I934-L1014 HydrophobicContact CG2-CB 3.9Å; I934-L1014 HydrophobicContact CG2-CD1 4.23Å; I934-L1014 HydrophobicContact CG2-CG 4.47Å |
| 935 | E | 75.2 | Confident | 78.2 | Confident | 21 Ų | 21 | 11.9 Ų | 11.9 | 10% | 0.098 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -76.8 | -19.1 | -174.4 | -174.3 | 77.6 | -166.9 | 0 | 0 | 112.7 | V904 I931 S932 R982 N1013 | V904-E935 HydrophobicContact CG2-CB 4.43Å; V904-E935 HydrophobicContact CG2-CG 3.74Å; I931-E935 WeakPolarHBondContact O-CB 3.19Å; I931-E935 PolarHBondContact O-N 3.3Å; S932-E935 PolarHBondContact O-N 3.18Å; E935-R982 PolarHBondContact O-NE 3.49Å; E935-R982 PolarHBondContact O-NH2 3.39Å; E935-R982 IonicContact OE1-CZ 2.73Å; E935-R982 IonicContact OE1-NH1 2.66Å; E935-R982 IonicContact OE1-NH2 3.87Å; E935-R982 PolarHBondContact OE1-NH2 3.47Å; E935-N1013 PolarHBondContact OE2-ND2 2.96Å |
| 936 | Q | 74.5 | Confident | 79.1 | Confident | 13 Ų | 13 | 10.8 Ų | 10.8 | 6% | 0.061 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -103.6 | -34.8 | 177.9 | -64.2 | -159.7 | 10.9 | 0 | 0 | 114.5 | Y892 S932 L933 I934 D981 R982 | Y892-Q936 VanDerWaalsContact CZ-NE2 3.28Å; Y892-Q936 PolarHBondContact OH-NE2 2.97Å; S932-Q936 WeakPolarHBondContact O-CG 3.12Å; S932-Q936 PolarHBondContact O-N 3.39Å; L933-Q936 PolarHBondContact O-N 3.17Å; I934-Q936 VanDerWaalsContact C-N 3.33Å; I934-Q936 PolarHBondContact O-N 3.4Å; Q936-D981 CarbonylContact O-C 3.52Å; Q936-D981 WeakPolarHBondContact O-CA 3.45Å; Q936-R982 PolarHBondContact O-N 3Å |
| 937 | W | 82.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -134.1 | 53.7 | -175 | -58 | -77.2 | 0 | 0 | 0 | 114.1 | L933 Y939 R940 M941 D981 N983 L987 Y990 | L933-W937 HydrophobicContact CD2-CE3 3.83Å; L933-W937 HydrophobicContact CD2-CZ3 4.01Å; L933-W937 PolarHBondContact O-N 3.48Å; W937-Y939 PolarHBondContact O-N 3.5Å; W937-Y939 VanDerWaalsContact O-N 3.17Å; W937-R940 PolarHBondContact O-N 3.01Å; W937-M941 HydrophobicContact CB-CG 4.37Å; W937-M941 VanDerWaalsContact O-CB 3.23Å; W937-M941 WeakPolarHBondContact O-CB 3.33Å; W937-M941 WeakPolarHBondContact O-CG 3.27Å; W937-M941 PolarHBondContact O-N 3.45Å; W937-D981 WeakPolarHBondContact CA-OD1 3.39Å; W937-N983 PolarHBondContact NE1-O 2.98Å; W937-L987 HydrophobicContact CB-CD1 4.42Å; W937-L987 HydrophobicContact CB-CD2 4.24Å; W937-L987 HydrophobicContact CD2-CB 3.88Å; W937-L987 HydrophobicContact CD2-CD1 3.68Å; W937-L987 HydrophobicContact CD2-CG 4.29Å; W937-L987 HydrophobicContact CE3-CD1 3.53Å; W937-L987 HydrophobicContact CG-CB 3.89Å; W937-L987 HydrophobicContact CG-CD1 4.07Å; W937-L987 HydrophobicContact CG-CD2 4.3Å; W937-L987 HydrophobicContact CG-CG 4.31Å; W937-L987 HydrophobicContact CZ2-CB 4.44Å; W937-L987 HydrophobicContact CZ3-CD1 4.03Å; W937-Y990 AromaticContact CH2-CD2 3.9Å; W937-Y990 HydrophobicContact CH2-CD2 3.9Å; W937-Y990 AromaticContact CH2-CG 3.96Å; W937-Y990 HydrophobicContact CH2-CG 3.96Å; W937-Y990 HydrophobicContact CZ3-CD1 4.42Å; W937-Y990 AromaticContact CZ3-CD2 3.94Å; W937-Y990 HydrophobicContact CZ3-CD2 3.94Å; W937-Y990 HydrophobicContact CZ3-CE2 4.4Å; W937-Y990 AromaticContact CZ3-CG 3.94Å; W937-Y990 HydrophobicContact CZ3-CG 3.94Å | ||
| 938 | P | 85.2 | Confident | 79.8 | Confident | 22 Ų | 22 | 11.8 Ų | 11.8 | 14% | 0.143 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.2 | -27.4 | -175.5 | 26.8 | -36.7 | 0 | 0 | 0 | 114.4 | I934 S942 M980 D981 | I934-P938 WeakPolarHBondContact O-CD 3.31Å; P938-S942 WeakPolarHBondContact O-CB 3.33Å; P938-S942 PolarHBondContact O-N 2.99Å; P938-S942 VanDerWaalsContact O-N 3.15Å; P938-S942 PolarHBondContact O-OG 3.33Å; P938-M980 WeakPolarHBondContact CD-O 3.47Å; P938-M980 HydrophobicContact CG-CB 3.94Å; P938-M980 HydrophobicContact CG-CE 4.37Å; P938-M980 WeakPolarHBondContact CG-O 3.47Å; P938-D981 VanDerWaalsContact CD-OD1 3.3Å; P938-D981 WeakPolarHBondContact CD-OD1 3.49Å; P938-D981 VanDerWaalsContact N-OD1 3.14Å |
| 939 | Y | 83.6 | Confident | 80.4 | Confident | 9 Ų | 9 | 13.3 Ų | 13.3 | 4% | 0.035 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -77.2 | -56 | 178.7 | 178.6 | -120.1 | 0 | 0 | 0 | 111.8 | W937 M941 S942 W943 I970 P971 F977 V978 D981 V1018 | W937-Y939 PolarHBondContact O-N 3.5Å; W937-Y939 VanDerWaalsContact O-N 3.17Å; Y939-M941 VanDerWaalsContact C-N 3.27Å; Y939-M941 PolarHBondContact O-N 2.74Å; Y939-S942 WeakPolarHBondContact O-CB 3.42Å; Y939-S942 PolarHBondContact O-N 3.37Å; Y939-W943 AromaticContact CE1-NE1 3.89Å; Y939-W943 AromaticContact CE2-CD1 3.69Å; Y939-W943 AromaticContact CE2-NE1 3.42Å; Y939-W943 AromaticContact CZ-CD1 3.66Å; Y939-W943 AromaticContact CZ-NE1 3.18Å; Y939-W943 PolarHBondContact O-N 2.88Å; Y939-W943 VanDerWaalsContact O-N 3.12Å; Y939-W943 PolarHBondContact OH-NE1 2.95Å; Y939-I970 HydrophobicContact CE1-CG2 3.86Å; Y939-P971 PolarHBondContact OH-O 2.96Å; Y939-F977 WeakPolarHBondContact CB-O 3.3Å; Y939-F977 HydrophobicContact CD1-CB 4.49Å; Y939-F977 HydrophobicContact CD2-CB 3.64Å; Y939-F977 HydrophobicContact CD2-CG 4.43Å; Y939-F977 HydrophobicContact CE1-CB 4.45Å; Y939-F977 HydrophobicContact CE2-CB 3.58Å; Y939-F977 HydrophobicContact CE2-CG 4.2Å; Y939-F977 HydrophobicContact CG-CB 4.1Å; Y939-V978 HydrophobicContact CD1-CG2 4.37Å; Y939-V978 HydrophobicContact CE1-CG2 4.03Å; Y939-D981 WeakPolarHBondContact CB-OD1 3.36Å; Y939-D981 PolarHBondContact N-OD1 3.26Å; Y939-V1018 HydrophobicContact CD2-CG1 4.18Å |
| 940 | R | 84.6 | Confident | 80.3 | Confident | 40 Ų | 40 | 15.6 Ų | 15.6 | 15% | 0.151 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | 176.5 | -72.9 | 178.6 | -177.7 | -160.1 | 4.2 | 112.2 | W937 W943 L944 Y963 I970 D981 Q984 L987 D988 | W937-R940 PolarHBondContact O-N 3.01Å; R940-W943 PolarHBondContact O-N 3.23Å; R940-L944 PolarHBondContact O-N 3.11Å; R940-L944 VanDerWaalsContact O-N 3.15Å; R940-Y963 PolarHBondContact NH1-OH 2.92Å; R940-I970 HydrophobicContact CB-CD1 4.45Å; R940-I970 HydrophobicContact CG-CD1 4.04Å; R940-D981 VanDerWaalsContact CG-OD2 3.26Å; R940-D981 WeakPolarHBondContact CG-OD2 3.37Å; R940-D981 PolarHBondContact N-OD2 3.15Å; R940-Q984 PolarHBondContact NH1-O 2.89Å; R940-Q984 VanDerWaalsContact NH1-O 3.17Å; R940-Q984 PolarHBondContact NH2-O 2.96Å; R940-L987 HydrophobicContact CB-CD2 3.57Å; R940-L987 HydrophobicContact CG-CD2 4.23Å; R940-D988 IonicContact CZ-OD2 3.22Å; R940-D988 IonicContact NH1-OD1 3.78Å; R940-D988 IonicContact NH1-OD2 3.22Å; R940-D988 PolarHBondContact NH1-OD2 2.78Å |
| 941 | M | 87.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.4 | -34.6 | 174.2 | -68.8 | -60 | -61.8 | 0 | 0 | 113 | W930 L933 W937 Y939 L944 I945 L959 L1014 | W930-M941 HydrophobicContact CE3-CE 4.04Å; W930-M941 HydrophobicContact CH2-CE 4.05Å; W930-M941 HydrophobicContact CZ3-CE 3.34Å; L933-M941 HydrophobicContact CB-CE 3.93Å; L933-M941 HydrophobicContact CB-CG 4.16Å; L933-M941 HydrophobicContact CB-SD 3.89Å; L933-M941 HydrophobicContact CD1-CE 4Å; L933-M941 HydrophobicContact CD1-SD 4.14Å; L933-M941 HydrophobicContact CD2-SD 4.06Å; L933-M941 HydrophobicContact CG-CE 4.5Å; L933-M941 HydrophobicContact CG-SD 4.27Å; W937-M941 HydrophobicContact CB-CG 4.37Å; W937-M941 VanDerWaalsContact O-CB 3.23Å; W937-M941 WeakPolarHBondContact O-CB 3.33Å; W937-M941 WeakPolarHBondContact O-CG 3.27Å; W937-M941 PolarHBondContact O-N 3.45Å; Y939-M941 VanDerWaalsContact C-N 3.27Å; Y939-M941 PolarHBondContact O-N 2.74Å; M941-L944 PolarHBondContact O-N 2.81Å; M941-I945 VanDerWaalsContact O-CG1 3.27Å; M941-I945 WeakPolarHBondContact O-CG1 3.39Å; M941-I945 PolarHBondContact O-N 2.81Å; M941-I945 VanDerWaalsContact O-N 3.08Å; M941-L959 HydrophobicContact CE-CD2 3.74Å; M941-L959 HydrophobicContact SD-CD2 4.45Å; M941-L1014 HydrophobicContact CB-CD1 4.3Å |
| 942 | S | 85.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.8 | -37.8 | 175 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | P938 Y939 I945 E946 | P938-S942 WeakPolarHBondContact O-CB 3.33Å; P938-S942 PolarHBondContact O-N 2.99Å; P938-S942 VanDerWaalsContact O-N 3.15Å; P938-S942 PolarHBondContact O-OG 3.33Å; Y939-S942 WeakPolarHBondContact O-CB 3.42Å; Y939-S942 PolarHBondContact O-N 3.37Å; S942-I945 PolarHBondContact O-N 3.25Å; S942-E946 PolarHBondContact O-N 2.97Å; S942-E946 VanDerWaalsContact O-N 3.17Å |
| 943 | W | 82.6 | Confident | 79.5 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 172.8 | -92.4 | 100.9 | 0 | 0 | 0 | 112.7 | Y939 R940 I945 E946 Y947 I966 I970 P971 I1022 C1027 I1031 | Y939-W943 AromaticContact CE1-NE1 3.89Å; Y939-W943 AromaticContact CE2-CD1 3.69Å; Y939-W943 AromaticContact CE2-NE1 3.42Å; Y939-W943 AromaticContact CZ-CD1 3.66Å; Y939-W943 AromaticContact CZ-NE1 3.18Å; Y939-W943 PolarHBondContact O-N 2.88Å; Y939-W943 VanDerWaalsContact O-N 3.12Å; Y939-W943 PolarHBondContact OH-NE1 2.95Å; R940-W943 PolarHBondContact O-N 3.23Å; W943-I945 PolarHBondContact O-N 3.36Å; W943-E946 PolarHBondContact O-N 2.99Å; W943-Y947 WeakPolarHBondContact O-CB 3.32Å; W943-Y947 PolarHBondContact O-N 3.43Å; W943-I966 HydrophobicContact CB-CD1 4.33Å; W943-I970 HydrophobicContact CB-CD1 4.41Å; W943-I970 HydrophobicContact CG-CG1 4.36Å; W943-I970 HydrophobicContact CG-CG2 4.38Å; W943-P971 HydrophobicContact CH2-CG 4.23Å; W943-P971 HydrophobicContact CZ2-CG 3.81Å; W943-I1022 HydrophobicContact CB-CD1 4.44Å; W943-I1022 HydrophobicContact CD2-CD1 4.29Å; W943-I1022 HydrophobicContact CD2-CG1 4.38Å; W943-I1022 HydrophobicContact CD2-CG2 3.95Å; W943-I1022 HydrophobicContact CE3-CG2 3.95Å; W943-I1022 HydrophobicContact CG-CD1 3.89Å; W943-I1022 HydrophobicContact CG-CG1 4.45Å; W943-I1022 HydrophobicContact CH2-CG2 4.3Å; W943-I1022 HydrophobicContact CZ2-CG2 4.26Å; W943-I1022 HydrophobicContact CZ3-CG2 4.14Å; W943-C1027 HydrophobicContact CH2-CB 3.58Å; W943-C1027 HydrophobicContact CZ2-CB 3.85Å; W943-I1031 HydrophobicContact CZ3-CD1 4.02Å; W943-I1031 HydrophobicContact CZ3-CG1 4.04Å |
| 944 | L | 85.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 179.7 | -160.3 | 158.2 | 0 | 0 | 0 | 111.8 | R940 M941 S948 L959 V962 Y963 I966 L1001 M1004 | R940-L944 PolarHBondContact O-N 3.11Å; R940-L944 VanDerWaalsContact O-N 3.15Å; M941-L944 PolarHBondContact O-N 2.81Å; L944-S948 WeakPolarHBondContact O-CB 3.48Å; L944-S948 PolarHBondContact O-N 2.74Å; L944-L959 HydrophobicContact CD1-CD2 3.84Å; L944-L959 HydrophobicContact CD2-CD2 3.58Å; L944-L959 HydrophobicContact CD2-CG 4.09Å; L944-L959 HydrophobicContact CG-CD2 4.34Å; L944-V962 HydrophobicContact CD2-CB 4.24Å; L944-V962 HydrophobicContact CD2-CG1 3.79Å; L944-V962 HydrophobicContact CG-CB 4.42Å; L944-V962 HydrophobicContact CG-CG1 3.93Å; L944-Y963 HydrophobicContact CD1-CD2 4.32Å; L944-I966 HydrophobicContact CB-CD1 3.87Å; L944-I966 HydrophobicContact CG-CD1 4.16Å; L944-L1001 HydrophobicContact CD2-CD2 4.46Å; L944-M1004 HydrophobicContact CD2-CE 4.41Å; L944-M1004 HydrophobicContact CD2-SD 3.78Å |
| 945 | I | 85 | Confident | 79.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 173.8 | -68.5 | 165.8 | 0 | 0 | 0 | 110.8 | W930 M941 S942 W943 S948 N949 M1004 I1008 L1014 | W930-I945 HydrophobicContact CH2-CD1 4.17Å; W930-I945 HydrophobicContact CH2-CG1 4.47Å; M941-I945 VanDerWaalsContact O-CG1 3.27Å; M941-I945 WeakPolarHBondContact O-CG1 3.39Å; M941-I945 PolarHBondContact O-N 2.81Å; M941-I945 VanDerWaalsContact O-N 3.08Å; S942-I945 PolarHBondContact O-N 3.25Å; W943-I945 PolarHBondContact O-N 3.36Å; I945-S948 PolarHBondContact O-N 3.3Å; I945-S948 PolarHBondContact O-OG 3.32Å; I945-N949 VanDerWaalsContact O-CG 3.29Å; I945-N949 PolarHBondContact O-N 3.48Å; I945-N949 PolarHBondContact O-ND2 3.17Å; I945-M1004 HydrophobicContact CB-CE 4.41Å; I945-M1004 HydrophobicContact CG1-CE 4.02Å; I945-M1004 HydrophobicContact CG1-SD 3.86Å; I945-I1008 HydrophobicContact CD1-CD1 4.26Å; I945-I1008 HydrophobicContact CD1-CG1 4.31Å; I945-I1008 HydrophobicContact CG1-CD1 4.07Å; I945-I1008 HydrophobicContact CG2-CD1 3.97Å; I945-L1014 HydrophobicContact CD1-CD1 3.56Å; I945-L1014 HydrophobicContact CD1-CD2 3.86Å; I945-L1014 HydrophobicContact CD1-CG 4.38Å |
| 946 | E | 79.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.7 | -39.6 | -177.4 | -64.6 | -49.3 | 145.6 | 0 | 0 | 113.6 | S942 W943 S948 N949 H950 R1019 I1022 R1023 | S942-E946 PolarHBondContact O-N 2.97Å; S942-E946 VanDerWaalsContact O-N 3.17Å; W943-E946 PolarHBondContact O-N 2.99Å; E946-S948 VanDerWaalsContact C-N 3.29Å; E946-S948 PolarHBondContact O-N 2.91Å; E946-N949 WeakPolarHBondContact O-CB 3.42Å; E946-N949 PolarHBondContact O-N 3.38Å; E946-N949 VanDerWaalsContact O-N 3.1Å; E946-N949 PolarHBondContact OE2-ND2 2.75Å; E946-N949 VanDerWaalsContact OE2-ND2 3.17Å; E946-H950 PolarHBondContact O-CD2 3.43Å; E946-H950 PolarHBondContact O-N 2.94Å; E946-R1019 HydrophobicContact CG-CB 4.17Å; E946-R1019 HydrophobicContact CG-CG 4.11Å; E946-R1019 WeakPolarHBondContact OE1-CB 3.45Å; E946-R1019 VanDerWaalsContact OE1-CD 3.23Å; E946-R1019 WeakPolarHBondContact OE1-CD 3.31Å; E946-R1019 WeakPolarHBondContact OE1-CG 3.32Å; E946-I1022 HydrophobicContact CB-CG2 4.2Å; E946-I1022 HydrophobicContact CG-CG2 4.37Å; E946-R1023 HydrophobicContact CG-CG 4.49Å; E946-R1023 IonicContact OE1-CZ 3.28Å; E946-R1023 IonicContact OE1-NE 3.74Å; E946-R1023 IonicContact OE1-NH2 2.71Å; E946-R1023 PolarHBondContact OE1-NH2 3.04Å; E946-R1023 IonicContact OE2-CZ 2.72Å; E946-R1023 IonicContact OE2-NE 3.82Å; E946-R1023 PolarHBondContact OE2-NE 3.36Å; E946-R1023 IonicContact OE2-NH2 3.31Å; E946-R1023 PolarHBondContact OE2-NH2 2.66Å |
| 947 | Y | 79.2 | Confident | 79.7 | Confident | 30 Ų | 30 | 43 Ų | 43 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56 | -43.9 | 172 | -177.8 | -109.8 | 0 | 0 | 0 | 111.7 | W943 N949 H950 C951 L953 V962 D965 I966 | W943-Y947 WeakPolarHBondContact O-CB 3.32Å; W943-Y947 PolarHBondContact O-N 3.43Å; Y947-N949 VanDerWaalsContact C-N 3.29Å; Y947-N949 PolarHBondContact O-N 3.12Å; Y947-H950 PolarHBondContact O-N 3.32Å; Y947-C951 WeakPolarHBondContact CE2-SG 3.2Å; Y947-C951 WeakPolarHBondContact O-CB 3.45Å; Y947-C951 PolarHBondContact O-N 3.37Å; Y947-L953 HydrophobicContact CD1-CD1 4.12Å; Y947-L953 HydrophobicContact CE1-CD1 3.94Å; Y947-V962 HydrophobicContact CD1-CG1 3.73Å; Y947-V962 HydrophobicContact CE1-CG1 4.14Å; Y947-D965 HydrophobicContact CE1-CB 4.18Å; Y947-I966 HydrophobicContact CD1-CG2 3.38Å; Y947-I966 HydrophobicContact CD2-CG2 3.71Å; Y947-I966 HydrophobicContact CE1-CG2 3.66Å; Y947-I966 HydrophobicContact CE2-CG2 3.97Å; Y947-I966 HydrophobicContact CG-CG2 3.41Å; Y947-I966 VanDerWaalsContact CG-CG2 3.41Å |
| 948 | S | 79.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -28.6 | 177.8 | 82.3 | 0 | 0 | 0 | 0 | 114.4 | L944 I945 E946 M1004 | L944-S948 WeakPolarHBondContact O-CB 3.48Å; L944-S948 PolarHBondContact O-N 2.74Å; I945-S948 PolarHBondContact O-N 3.3Å; I945-S948 PolarHBondContact O-OG 3.32Å; E946-S948 VanDerWaalsContact C-N 3.29Å; E946-S948 PolarHBondContact O-N 2.91Å; S948-M1004 WeakPolarHBondContact OG-CE 3.14Å |
| 949 | N | 76.3 | Confident | 79.7 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -76.5 | -44.4 | 177.9 | -68 | -33.4 | 0 | 0 | 0 | 111.1 | I945 E946 Y947 | I945-N949 VanDerWaalsContact O-CG 3.29Å; I945-N949 PolarHBondContact O-N 3.48Å; I945-N949 PolarHBondContact O-ND2 3.17Å; E946-N949 WeakPolarHBondContact O-CB 3.42Å; E946-N949 PolarHBondContact O-N 3.38Å; E946-N949 VanDerWaalsContact O-N 3.1Å; E946-N949 PolarHBondContact OE2-ND2 2.75Å; E946-N949 VanDerWaalsContact OE2-ND2 3.17Å; Y947-N949 VanDerWaalsContact C-N 3.29Å; Y947-N949 PolarHBondContact O-N 3.12Å |
| 950 | H | 71.3 | Confident | 79.6 | Confident | 88 Ų | 88 | 46 Ų | 46 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71 | -45.1 | -179.7 | -80.6 | -85.9 | 0 | 0 | 0 | 112.2 | E946 Y947 K952 | E946-H950 PolarHBondContact O-CD2 3.43Å; E946-H950 PolarHBondContact O-N 2.94Å; Y947-H950 PolarHBondContact O-N 3.32Å; H950-K952 VanDerWaalsContact C-N 3.31Å; H950-K952 PolarHBondContact O-N 3.2Å |
| 951 | C | 68.5 | Low | 79.6 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.2 | -175.3 | -63.7 | 0 | 0 | 0 | 0 | 114.8 | Y947 L953 | Y947-C951 WeakPolarHBondContact CE2-SG 3.2Å; Y947-C951 WeakPolarHBondContact O-CB 3.45Å; Y947-C951 PolarHBondContact O-N 3.37Å; C951-L953 HydrophobicContact CB-CD1 4.47Å; C951-L953 HydrophobicContact CB-CD2 4.08Å; C951-L953 HydrophobicContact CB-CG 3.91Å; C951-L953 PolarHBondContact O-N 2.97Å; C951-L953 VanDerWaalsContact O-N 3.12Å |
| 952 | K | 69.6 | Low | 79.4 | Confident | 183 Ų | 183 | 48.6 Ų | 48.6 | 80% | 0.796 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 39.7 | 179.1 | -64.6 | 179.7 | -179.8 | 169.5 | 0 | 114.2 | H950 | H950-K952 VanDerWaalsContact C-N 3.31Å; H950-K952 PolarHBondContact O-N 3.2Å |
| 953 | L | 74 | Confident | 79.4 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | trans | -62.2 | 146.9 | -172.8 | -64.9 | 173.7 | 0 | 0 | 0 | 112.9 | Y947 C951 L957 V962 L1001 R1005 | Y947-L953 HydrophobicContact CD1-CD1 4.12Å; Y947-L953 HydrophobicContact CE1-CD1 3.94Å; C951-L953 HydrophobicContact CB-CD1 4.47Å; C951-L953 HydrophobicContact CB-CD2 4.08Å; C951-L953 HydrophobicContact CB-CG 3.91Å; C951-L953 PolarHBondContact O-N 2.97Å; C951-L953 VanDerWaalsContact O-N 3.12Å; L953-L957 HydrophobicContact CB-CD1 4.26Å; L953-V962 HydrophobicContact CD1-CG1 3.89Å; L953-V962 HydrophobicContact CD1-CG2 4.03Å; L953-L1001 HydrophobicContact CB-CD1 3.47Å; L953-L1001 VanDerWaalsContact CB-CD1 3.47Å; L953-L1001 HydrophobicContact CD1-CD1 4.11Å; L953-L1001 HydrophobicContact CG-CD1 4.44Å; L953-R1005 PolarHBondContact O-NH2 2.82Å | ||
| 954 | P | 79.4 | Confident | 79.4 | Confident | 82 Ų | 82 | 51.1 Ų | 51.1 | 53% | 0.532 | 25% | 0.254 | S | S | . | . | trans | -55.3 | 142.8 | 173.1 | -25.3 | 31.1 | 0 | 0 | 0 | 114.2 | E956 L957 | P954-E956 PolarHBondContact O-N 2.88Å; P954-E956 VanDerWaalsContact O-N 3.15Å; P954-L957 HydrophobicContact CB-CD1 4.09Å; P954-L957 HydrophobicContact CG-CD1 4.02Å; P954-L957 PolarHBondContact O-N 3.3Å | ||
| 955 | D | 74.8 | Confident | 79.2 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.8 | -178.2 | -81.3 | -69.2 | 0 | 0 | 0 | 115.5 | S1002 R1005 | D955-S1002 WeakPolarHBondContact O-CB 3.36Å; D955-S1002 PolarHBondContact O-N 3.14Å; D955-S1002 PolarHBondContact O-OG 3.25Å; D955-R1005 VanDerWaalsContact OD1-CD 3.32Å; D955-R1005 WeakPolarHBondContact OD1-CD 3.45Å; D955-R1005 IonicContact OD1-CZ 3.77Å; D955-R1005 IonicContact OD1-NE 3.29Å; D955-R1005 IonicContact OD1-NH1 2.74Å; D955-R1005 PolarHBondContact OD1-NH1 3.28Å; D955-R1005 IonicContact OD2-NH1 2.83Å; D955-R1005 PolarHBondContact OD2-NH1 3.48Å |
| 956 | E | 78.8 | Confident | 78.9 | Confident | 176 Ų | 176 | 54.9 Ų | 54.9 | 82% | 0.822 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -22.4 | -175.8 | -61.2 | -176.7 | 170.3 | 0 | 0 | 113.3 | P954 | P954-E956 PolarHBondContact O-N 2.88Å; P954-E956 VanDerWaalsContact O-N 3.15Å |
| 957 | L | 81.9 | Confident | 79 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | trans | -59 | 137.9 | 179 | -88.5 | 130.9 | 0 | 0 | 0 | 112 | L953 P954 E961 V962 C1000 L1001 | L953-L957 HydrophobicContact CB-CD1 4.26Å; P954-L957 HydrophobicContact CB-CD1 4.09Å; P954-L957 HydrophobicContact CG-CD1 4.02Å; P954-L957 PolarHBondContact O-N 3.3Å; L957-E961 HydrophobicContact CD2-CB 3.86Å; L957-V962 HydrophobicContact CB-CG2 4.07Å; L957-V962 HydrophobicContact CD2-CG2 4.38Å; L957-C1000 CarbonylContact O-C 3.54Å; L957-C1000 VanDerWaalsContact O-CA 3.26Å; L957-C1000 WeakPolarHBondContact O-CA 3.5Å; L957-L1001 HydrophobicContact CB-CD1 4.18Å; L957-L1001 HydrophobicContact CB-CG 4.47Å; L957-L1001 PolarHBondContact O-N 2.74Å | ||
| 958 | T | 83.6 | Confident | 78.9 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 148.6 | 173.8 | 71.7 | 0 | 0 | 0 | 0 | 110.4 | K960 E961 V962 L999 | T958-K960 PolarHBondContact O-N 3.1Å; T958-K960 VanDerWaalsContact O-N 3.08Å; T958-K960 PolarHBondContact OG1-N 3.02Å; T958-E961 WeakPolarHBondContact CA-OE2 3.39Å; T958-E961 VanDerWaalsContact CB-OE2 3.26Å; T958-E961 WeakPolarHBondContact CB-OE2 3.26Å; T958-E961 WeakPolarHBondContact CG2-OE2 3.2Å; T958-E961 PolarHBondContact N-OE2 3.19Å; T958-E961 PolarHBondContact O-N 3.39Å; T958-E961 VanDerWaalsContact OG1-CD 3.24Å; T958-E961 WeakPolarHBondContact OG1-CG 3.26Å; T958-E961 PolarHBondContact OG1-N 3.29Å; T958-E961 PolarHBondContact OG1-OE2 2.89Å; T958-V962 WeakPolarHBondContact O-CG2 3.43Å; T958-V962 PolarHBondContact O-N 2.89Å; T958-L999 WeakPolarHBondContact CA-O 3.36Å |
| 959 | L | 83 | Confident | 78.6 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.9 | -19.2 | 172.1 | -95.4 | 119.5 | 0 | 0 | 0 | 113 | M941 L944 Y963 F991 L999 M1004 | M941-L959 HydrophobicContact CE-CD2 3.74Å; M941-L959 HydrophobicContact SD-CD2 4.45Å; L944-L959 HydrophobicContact CD1-CD2 3.84Å; L944-L959 HydrophobicContact CD2-CD2 3.58Å; L944-L959 HydrophobicContact CD2-CG 4.09Å; L944-L959 HydrophobicContact CG-CD2 4.34Å; L959-Y963 WeakPolarHBondContact O-CB 3.32Å; L959-Y963 PolarHBondContact O-N 3.15Å; L959-F991 HydrophobicContact CB-CE1 4.09Å; L959-F991 HydrophobicContact CB-CZ 4.22Å; L959-L999 HydrophobicContact CD1-CB 3.48Å; L959-L999 VanDerWaalsContact CD1-CB 3.48Å; L959-L999 PolarHBondContact N-O 3.33Å; L959-M1004 HydrophobicContact CD1-CB 4.27Å; L959-M1004 HydrophobicContact CD2-SD 4Å; L959-M1004 HydrophobicContact CG-SD 4.45Å |
| 960 | K | 83.5 | Confident | 78.6 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74 | -41.5 | 177.1 | 176.5 | 171.1 | -179.7 | 162.4 | 0 | 112.3 | T958 N964 F991 | T958-K960 PolarHBondContact O-N 3.1Å; T958-K960 VanDerWaalsContact O-N 3.08Å; T958-K960 PolarHBondContact OG1-N 3.02Å; K960-N964 PolarHBondContact O-N 3.18Å; K960-N964 VanDerWaalsContact O-N 3.08Å; K960-N964 PolarHBondContact O-ND2 3.38Å; K960-N964 VanDerWaalsContact O-ND2 3.1Å; K960-F991 HydrophobicContact CB-CD1 4.03Å; K960-F991 VanDerWaalsContact CD-O 3.3Å; K960-F991 WeakPolarHBondContact CD-O 3.39Å; K960-F991 WeakPolarHBondContact CE-O 3.3Å; K960-F991 HydrophobicContact CG-CB 4.29Å; K960-F991 PolarHBondContact NZ-O 2.85Å |
| 961 | E | 83.4 | Confident | 78.6 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.8 | -53.5 | 175.9 | -69.3 | 151.5 | 140.8 | 0 | 0 | 109.9 | L957 T958 Y963 N964 D965 | L957-E961 HydrophobicContact CD2-CB 3.86Å; T958-E961 WeakPolarHBondContact CA-OE2 3.39Å; T958-E961 VanDerWaalsContact CB-OE2 3.26Å; T958-E961 WeakPolarHBondContact CB-OE2 3.26Å; T958-E961 WeakPolarHBondContact CG2-OE2 3.2Å; T958-E961 PolarHBondContact N-OE2 3.19Å; T958-E961 PolarHBondContact O-N 3.39Å; T958-E961 VanDerWaalsContact OG1-CD 3.24Å; T958-E961 WeakPolarHBondContact OG1-CG 3.26Å; T958-E961 PolarHBondContact OG1-N 3.29Å; T958-E961 PolarHBondContact OG1-OE2 2.89Å; E961-Y963 PolarHBondContact O-N 3.43Å; E961-Y963 VanDerWaalsContact O-N 3.15Å; E961-N964 WeakPolarHBondContact O-CB 3.01Å; E961-N964 PolarHBondContact O-N 3.09Å; E961-D965 PolarHBondContact O-N 3.36Å; E961-D965 VanDerWaalsContact O-N 3.13Å |
| 962 | V | 82.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58 | -32.9 | 178.1 | -172.6 | 0 | 0 | 0 | 0 | 112 | L944 Y947 L953 L957 T958 L1001 | L944-V962 HydrophobicContact CD2-CB 4.24Å; L944-V962 HydrophobicContact CD2-CG1 3.79Å; L944-V962 HydrophobicContact CG-CB 4.42Å; L944-V962 HydrophobicContact CG-CG1 3.93Å; Y947-V962 HydrophobicContact CD1-CG1 3.73Å; Y947-V962 HydrophobicContact CE1-CG1 4.14Å; L953-V962 HydrophobicContact CD1-CG1 3.89Å; L953-V962 HydrophobicContact CD1-CG2 4.03Å; L957-V962 HydrophobicContact CB-CG2 4.07Å; L957-V962 HydrophobicContact CD2-CG2 4.38Å; T958-V962 WeakPolarHBondContact O-CG2 3.43Å; T958-V962 PolarHBondContact O-N 2.89Å; V962-L1001 HydrophobicContact CG2-CD1 3.97Å; V962-L1001 HydrophobicContact CG2-CD2 4.23Å; V962-L1001 HydrophobicContact CG2-CG 4.12Å |
| 963 | Y | 85.2 | Confident | 78.5 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.1 | -42.6 | 173.5 | 179.2 | -107.5 | 0 | 0 | 0 | 113 | R940 L944 L959 E961 D965 I966 K967 I970 L987 D988 F991 | R940-Y963 PolarHBondContact NH1-OH 2.92Å; L944-Y963 HydrophobicContact CD1-CD2 4.32Å; L959-Y963 WeakPolarHBondContact O-CB 3.32Å; L959-Y963 PolarHBondContact O-N 3.15Å; E961-Y963 PolarHBondContact O-N 3.43Å; E961-Y963 VanDerWaalsContact O-N 3.15Å; Y963-D965 VanDerWaalsContact C-N 3.27Å; Y963-D965 PolarHBondContact O-N 3.41Å; Y963-I966 HydrophobicContact CD2-CG1 4.41Å; Y963-I966 WeakPolarHBondContact O-CG1 3.17Å; Y963-I966 PolarHBondContact O-N 3.4Å; Y963-K967 HydrophobicContact CE1-CB 4.1Å; Y963-K967 HydrophobicContact CE2-CB 4.32Å; Y963-K967 WeakPolarHBondContact O-CB 3.12Å; Y963-K967 PolarHBondContact O-N 2.87Å; Y963-I970 HydrophobicContact CE2-CD1 4.42Å; Y963-L987 HydrophobicContact CD2-CD2 4.04Å; Y963-L987 HydrophobicContact CE2-CD2 3.53Å; Y963-L987 HydrophobicContact CE2-CG 4.23Å; Y963-D988 VanDerWaalsContact CE1-OD1 3.32Å; Y963-D988 WeakPolarHBondContact CE1-OD1 3.21Å; Y963-D988 PolarHBondContact OH-OD1 3.02Å; Y963-F991 AromaticContact CD1-CD2 3.43Å; Y963-F991 HydrophobicContact CD1-CD2 3.43Å; Y963-F991 VanDerWaalsContact CD1-CD2 3.43Å; Y963-F991 AromaticContact CD1-CE2 3.86Å; Y963-F991 HydrophobicContact CD1-CE2 3.86Å; Y963-F991 HydrophobicContact CD1-CG 4.34Å; Y963-F991 HydrophobicContact CD2-CD2 4.39Å; Y963-F991 HydrophobicContact CD2-CE2 4.01Å; Y963-F991 AromaticContact CE1-CD2 3.96Å; Y963-F991 HydrophobicContact CE1-CD2 3.96Å; Y963-F991 AromaticContact CG-CD2 3.67Å; Y963-F991 HydrophobicContact CG-CD2 3.67Å; Y963-F991 AromaticContact CG-CE2 3.57Å; Y963-F991 HydrophobicContact CG-CE2 3.57Å |
| 964 | N | 83.4 | Confident | 77.9 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 177.8 | -80.1 | -44.9 | 0 | 0 | 0 | 112.4 | K960 E961 I966 | K960-N964 PolarHBondContact O-N 3.18Å; K960-N964 VanDerWaalsContact O-N 3.08Å; K960-N964 PolarHBondContact O-ND2 3.38Å; K960-N964 VanDerWaalsContact O-ND2 3.1Å; E961-N964 WeakPolarHBondContact O-CB 3.01Å; E961-N964 PolarHBondContact O-N 3.09Å; N964-I966 VanDerWaalsContact C-N 3.26Å; N964-I966 PolarHBondContact O-N 3.1Å |
| 965 | D | 79.9 | Confident | 77.1 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -25.1 | 177.7 | -65.2 | -27.9 | 0 | 0 | 0 | 113.4 | Y947 E961 Y963 R969 | Y947-D965 HydrophobicContact CE1-CB 4.18Å; E961-D965 PolarHBondContact O-N 3.36Å; E961-D965 VanDerWaalsContact O-N 3.13Å; Y963-D965 VanDerWaalsContact C-N 3.27Å; Y963-D965 PolarHBondContact O-N 3.41Å; D965-R969 PolarHBondContact O-NH1 3.37Å |
| 966 | I | 80.4 | Confident | 76.6 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -107 | -23.8 | -176.1 | 66.8 | 172.2 | 0 | 0 | 0 | 114.7 | W943 L944 Y947 Y963 N964 D968 R969 I970 | W943-I966 HydrophobicContact CB-CD1 4.33Å; L944-I966 HydrophobicContact CB-CD1 3.87Å; L944-I966 HydrophobicContact CG-CD1 4.16Å; Y947-I966 HydrophobicContact CD1-CG2 3.38Å; Y947-I966 HydrophobicContact CD2-CG2 3.71Å; Y947-I966 HydrophobicContact CE1-CG2 3.66Å; Y947-I966 HydrophobicContact CE2-CG2 3.97Å; Y947-I966 HydrophobicContact CG-CG2 3.41Å; Y947-I966 VanDerWaalsContact CG-CG2 3.41Å; Y963-I966 HydrophobicContact CD2-CG1 4.41Å; Y963-I966 WeakPolarHBondContact O-CG1 3.17Å; Y963-I966 PolarHBondContact O-N 3.4Å; N964-I966 VanDerWaalsContact C-N 3.26Å; N964-I966 PolarHBondContact O-N 3.1Å; I966-D968 VanDerWaalsContact C-N 3.27Å; I966-D968 PolarHBondContact O-N 3.43Å; I966-D968 VanDerWaalsContact O-N 3.08Å; I966-R969 WeakPolarHBondContact O-CA 3.09Å; I966-R969 WeakPolarHBondContact O-CB 3.49Å; I966-R969 PolarHBondContact O-N 3.22Å; I966-I970 HydrophobicContact CD1-CD1 4.12Å; I966-I970 HydrophobicContact CG1-CD1 4.21Å; I966-I970 HydrophobicContact CG1-CG1 4.49Å; I966-I970 PolarHBondContact O-N 3.07Å |
| 967 | K | 80.2 | Confident | 76.1 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -51.8 | -41.7 | -165.3 | 74.4 | -172.4 | -178.6 | -175.5 | 0 | 113.9 | Y963 R969 | Y963-K967 HydrophobicContact CE1-CB 4.1Å; Y963-K967 HydrophobicContact CE2-CB 4.32Å; Y963-K967 WeakPolarHBondContact O-CB 3.12Å; Y963-K967 PolarHBondContact O-N 2.87Å; K967-R969 PolarHBondContact O-N 3.03Å |
| 968 | D | 78.6 | Confident | 75.6 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 74% | 0.738 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -81.7 | -2.1 | -176 | -54.7 | -51.8 | 0 | 0 | 0 | 112.4 | I966 | I966-D968 VanDerWaalsContact C-N 3.27Å; I966-D968 PolarHBondContact O-N 3.43Å; I966-D968 VanDerWaalsContact O-N 3.08Å |
| 969 | R | 71.3 | Confident | 74.9 | Confident | 112 Ų | 112 | 67 Ų | 67 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -114.5 | -4.8 | -177.4 | -62.6 | 157.7 | 168.6 | 162.1 | -9.7 | 112.8 | D965 I966 K967 P971 V1034 | D965-R969 PolarHBondContact O-NH1 3.37Å; I966-R969 WeakPolarHBondContact O-CA 3.09Å; I966-R969 WeakPolarHBondContact O-CB 3.49Å; I966-R969 PolarHBondContact O-N 3.22Å; K967-R969 PolarHBondContact O-N 3.03Å; R969-P971 WeakPolarHBondContact O-CD 3.25Å; R969-V1034 HydrophobicContact CG-CG2 4.34Å; R969-V1034 VanDerWaalsContact CZ-CG1 3.41Å |
| 970 | I | 76.3 | Confident | 74.4 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -76 | 119.8 | 176.7 | -61.1 | 178.2 | 0 | 0 | 0 | 109 | Y939 R940 W943 Y963 I966 T972 | Y939-I970 HydrophobicContact CE1-CG2 3.86Å; R940-I970 HydrophobicContact CB-CD1 4.45Å; R940-I970 HydrophobicContact CG-CD1 4.04Å; W943-I970 HydrophobicContact CB-CD1 4.41Å; W943-I970 HydrophobicContact CG-CG1 4.36Å; W943-I970 HydrophobicContact CG-CG2 4.38Å; Y963-I970 HydrophobicContact CE2-CD1 4.42Å; I966-I970 HydrophobicContact CD1-CD1 4.12Å; I966-I970 HydrophobicContact CG1-CD1 4.21Å; I966-I970 HydrophobicContact CG1-CG1 4.49Å; I966-I970 PolarHBondContact O-N 3.07Å; I970-T972 PolarHBondContact O-N 3.38Å |
| 971 | P | 72.1 | Confident | 74 | Confident | 17 Ų | 17 | 67 Ų | 67 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | trans | -65.2 | 124.4 | -179 | -22.5 | 35.1 | 0 | 0 | 0 | 112.5 | Y939 W943 R969 I1030 | Y939-P971 PolarHBondContact OH-O 2.96Å; W943-P971 HydrophobicContact CH2-CG 4.23Å; W943-P971 HydrophobicContact CZ2-CG 3.81Å; R969-P971 WeakPolarHBondContact O-CD 3.25Å; P971-I1030 HydrophobicContact CG-CD1 3.8Å | ||
| 972 | T | 70.5 | Confident | 73.3 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | trans | -88.7 | -14.1 | 177.8 | 44.2 | 0 | 0 | 0 | 0 | 114 | I970 N974 | I970-T972 PolarHBondContact O-N 3.38Å; T972-N974 VanDerWaalsContact C-N 3.26Å; T972-N974 PolarHBondContact O-N 3.31Å | ||
| 973 | D | 64.7 | Low | 72.6 | Confident | 136 Ų | 136 | 72 Ų | 72 | 73% | 0.727 | 36% | 0.356 | S | S | * | . | trans | -72.8 | -18 | -166 | -40.6 | -42.3 | 0 | 0 | 0 | 113.6 | E975 | D973-E975 PolarHBondContact O-N 3.4Š| ||
| 974 | N | 63.3 | Low | 71.7 | Confident | 79 Ų | 79 | 76.2 Ų | 76.2 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | trans | -91.1 | 75.8 | 179.5 | -77.6 | -66.3 | 0 | 0 | 0 | 111.5 | T972 M976 F977 V978 | T972-N974 VanDerWaalsContact C-N 3.26Å; T972-N974 PolarHBondContact O-N 3.31Å; N974-M976 PolarHBondContact O-N 3.25Å; N974-F977 HydrophobicContact CB-CD2 3.83Å; N974-F977 PolarHBondContact O-N 2.98Å; N974-V978 PolarHBondContact O-N 3.37Å | ||
| 975 | E | 60.6 | Low | 70.9 | Confident | 149 Ų | 149 | 82.3 Ų | 82.3 | 70% | 0.696 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -37.4 | -50.2 | 178.4 | -63.3 | 177.9 | 140 | 0 | 0 | 112.9 | D973 F977 V978 E979 | D973-E975 PolarHBondContact O-N 3.4Å; E975-F977 VanDerWaalsContact C-N 3.25Å; E975-F977 PolarHBondContact O-N 3.32Å; E975-F977 VanDerWaalsContact O-N 3.11Å; E975-V978 CarbonylContact O-C 2.72Å; E975-V978 PolarHBondContact O-N 2.88Å; E975-E979 WeakPolarHBondContact O-CB 3.47Å; E975-E979 VanDerWaalsContact O-CG 3.31Å; E975-E979 WeakPolarHBondContact O-CG 3.37Å; E975-E979 PolarHBondContact O-N 3.02Å |
| 976 | M | 64.5 | Low | 70.4 | Confident | 72 Ų | 72 | 79 Ų | 79 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.1 | -28.4 | -177.1 | -165.4 | -171.1 | 77.2 | 0 | 0 | 115.2 | N974 R1263 | N974-M976 PolarHBondContact O-N 3.25Å; M976-R1263 PolarHBondContact SD-NE 3.35Å |
| 977 | F | 69.9 | Low | 70.2 | Confident | 31 Ų | 31 | 78.8 Ų | 78.8 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -93.4 | -33.4 | 175.7 | -62 | -54.7 | 0 | 0 | 0 | 111.7 | Y939 N974 E975 E979 M980 L1021 | Y939-F977 WeakPolarHBondContact CB-O 3.3Å; Y939-F977 HydrophobicContact CD1-CB 4.49Å; Y939-F977 HydrophobicContact CD2-CB 3.64Å; Y939-F977 HydrophobicContact CD2-CG 4.43Å; Y939-F977 HydrophobicContact CE1-CB 4.45Å; Y939-F977 HydrophobicContact CE2-CB 3.58Å; Y939-F977 HydrophobicContact CE2-CG 4.2Å; Y939-F977 HydrophobicContact CG-CB 4.1Å; N974-F977 HydrophobicContact CB-CD2 3.83Å; N974-F977 PolarHBondContact O-N 2.98Å; E975-F977 VanDerWaalsContact C-N 3.25Å; E975-F977 PolarHBondContact O-N 3.32Å; E975-F977 VanDerWaalsContact O-N 3.11Å; F977-E979 VanDerWaalsContact C-N 3.25Å; F977-E979 PolarHBondContact O-N 3.32Å; F977-M980 HydrophobicContact CD1-SD 4.11Å; F977-M980 VanDerWaalsContact O-CB 3.29Å; F977-M980 WeakPolarHBondContact O-CB 3.32Å; F977-M980 WeakPolarHBondContact O-CG 3.17Å; F977-M980 PolarHBondContact O-N 3.03Å; F977-M980 VanDerWaalsContact O-N 3.08Å; F977-L1021 HydrophobicContact CE1-CD1 3.75Å; F977-L1021 HydrophobicContact CE2-CD2 4.46Å; F977-L1021 HydrophobicContact CZ-CD1 3.54Å; F977-L1021 HydrophobicContact CZ-CD2 3.99Å; F977-L1021 HydrophobicContact CZ-CG 4.25Å |
| 978 | V | 70.8 | Confident | 70 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.8 | -23.6 | 175.9 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | Y939 N974 E975 M980 Q984 | Y939-V978 HydrophobicContact CD1-CG2 4.37Å; Y939-V978 HydrophobicContact CE1-CG2 4.03Å; N974-V978 PolarHBondContact O-N 3.37Å; E975-V978 CarbonylContact O-C 2.72Å; E975-V978 PolarHBondContact O-N 2.88Å; V978-M980 VanDerWaalsContact C-N 3.27Å; V978-M980 PolarHBondContact O-N 3.02Å; V978-Q984 HydrophobicContact CG1-CG 3.83Å |
| 979 | E | 69.1 | Low | 69.6 | Low | 141 Ų | 141 | 72.9 Ų | 72.9 | 66% | 0.659 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.1 | 167.4 | -80.2 | 178.2 | 165.1 | 0 | 0 | 114.1 | E975 F977 D981 | E975-E979 WeakPolarHBondContact O-CB 3.47Å; E975-E979 VanDerWaalsContact O-CG 3.31Å; E975-E979 WeakPolarHBondContact O-CG 3.37Å; E975-E979 PolarHBondContact O-N 3.02Å; F977-E979 VanDerWaalsContact C-N 3.25Å; F977-E979 PolarHBondContact O-N 3.32Å; E979-D981 VanDerWaalsContact C-N 3.29Å |
| 980 | M | 72.3 | Confident | 69.6 | Low | 71 Ų | 71 | 68.7 Ų | 68.7 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.7 | 177.7 | -60 | -175.5 | 60.5 | 0 | 0 | 112.6 | P938 F977 V978 V1018 | P938-M980 WeakPolarHBondContact CD-O 3.47Å; P938-M980 HydrophobicContact CG-CB 3.94Å; P938-M980 HydrophobicContact CG-CE 4.37Å; P938-M980 WeakPolarHBondContact CG-O 3.47Å; F977-M980 HydrophobicContact CD1-SD 4.11Å; F977-M980 VanDerWaalsContact O-CB 3.29Å; F977-M980 WeakPolarHBondContact O-CB 3.32Å; F977-M980 WeakPolarHBondContact O-CG 3.17Å; F977-M980 PolarHBondContact O-N 3.03Å; F977-M980 VanDerWaalsContact O-N 3.08Å; V978-M980 VanDerWaalsContact C-N 3.27Å; V978-M980 PolarHBondContact O-N 3.02Å; M980-V1018 HydrophobicContact CE-CG2 3.82Å; M980-V1018 HydrophobicContact SD-CG2 4.03Å |
| 981 | D | 76.1 | Confident | 69.5 | Low | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -86.4 | 114.8 | 179.1 | -77.7 | 9.3 | 0 | 0 | 0 | 110.1 | Q936 W937 P938 Y939 R940 E979 N983 | Q936-D981 CarbonylContact O-C 3.52Å; Q936-D981 WeakPolarHBondContact O-CA 3.45Å; W937-D981 WeakPolarHBondContact CA-OD1 3.39Å; P938-D981 VanDerWaalsContact CD-OD1 3.3Å; P938-D981 WeakPolarHBondContact CD-OD1 3.49Å; P938-D981 VanDerWaalsContact N-OD1 3.14Å; Y939-D981 WeakPolarHBondContact CB-OD1 3.36Å; Y939-D981 PolarHBondContact N-OD1 3.26Å; R940-D981 VanDerWaalsContact CG-OD2 3.26Å; R940-D981 WeakPolarHBondContact CG-OD2 3.37Å; R940-D981 PolarHBondContact N-OD2 3.15Å; E979-D981 VanDerWaalsContact C-N 3.29Å; D981-N983 PolarHBondContact O-N 3.33Å |
| 982 | R | 67.7 | Low | 69.3 | Low | 103 Ų | 103 | 74.4 Ų | 74.4 | 39% | 0.389 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -57.9 | -28.7 | -171.2 | -69.4 | -171.6 | 178.7 | 159.7 | 11.5 | 114.6 | E935 Q936 | E935-R982 PolarHBondContact O-NE 3.49Å; E935-R982 PolarHBondContact O-NH2 3.39Å; E935-R982 IonicContact OE1-CZ 2.73Å; E935-R982 IonicContact OE1-NH1 2.66Å; E935-R982 IonicContact OE1-NH2 3.87Å; E935-R982 PolarHBondContact OE1-NH2 3.47Å; Q936-R982 PolarHBondContact O-N 3Å |
| 983 | N | 67.3 | Low | 68.8 | Low | 94 Ų | 94 | 71.2 Ų | 71.2 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -145.5 | 91.5 | 178.7 | -90.6 | -44.7 | 0 | 0 | 0 | 107.9 | W937 D981 K985 G986 | W937-N983 PolarHBondContact NE1-O 2.98Å; D981-N983 PolarHBondContact O-N 3.33Å; N983-K985 PolarHBondContact O-N 3.32Å; N983-G986 WeakPolarHBondContact O-CA 3.31Å; N983-G986 PolarHBondContact O-N 2.77Å |
| 984 | Q | 67.2 | Low | 68.3 | Low | 94 Ų | 94 | 73.7 Ų | 73.7 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -51.8 | -174.6 | -61.7 | 170.3 | -0.2 | 0 | 0 | 112.7 | R940 V978 G986 | R940-Q984 PolarHBondContact NH1-O 2.89Å; R940-Q984 VanDerWaalsContact NH1-O 3.17Å; R940-Q984 PolarHBondContact NH2-O 2.96Å; V978-Q984 HydrophobicContact CG1-CG 3.83Å; Q984-G986 PolarHBondContact O-N 3.4Å |
| 985 | K | 65.9 | Low | 67.7 | Low | 189 Ų | 189 | 72.1 Ų | 72.1 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 2.7 | 177.2 | -58.6 | -176.9 | -179.2 | -179 | 0 | 114 | N983 | N983-K985 PolarHBondContact O-N 3.32Š|
| 986 | G | 70.5 | Confident | 67.4 | Low | 6 Ų | 6 | 71.7 Ų | 71.7 | 6% | 0.062 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -83.3 | -30 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N983 Q984 D988 S989 Y990 | N983-G986 WeakPolarHBondContact O-CA 3.31Å; N983-G986 PolarHBondContact O-N 2.77Å; Q984-G986 PolarHBondContact O-N 3.4Å; G986-D988 VanDerWaalsContact C-N 3.32Å; G986-D988 PolarHBondContact O-N 3.17Å; G986-S989 PolarHBondContact O-N 3.14Å; G986-S989 PolarHBondContact O-OG 3.33Å; G986-Y990 PolarHBondContact O-N 3.12Å |
| 987 | L | 76.2 | Confident | 66.9 | Low | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.4 | -36.1 | -177.1 | -173.4 | 60.4 | 0 | 0 | 0 | 111.4 | L933 W937 R940 Y963 Y990 F991 | L933-L987 HydrophobicContact CD2-CD1 3.56Å; W937-L987 HydrophobicContact CB-CD1 4.42Å; W937-L987 HydrophobicContact CB-CD2 4.24Å; W937-L987 HydrophobicContact CD2-CB 3.88Å; W937-L987 HydrophobicContact CD2-CD1 3.68Å; W937-L987 HydrophobicContact CD2-CG 4.29Å; W937-L987 HydrophobicContact CE3-CD1 3.53Å; W937-L987 HydrophobicContact CG-CB 3.89Å; W937-L987 HydrophobicContact CG-CD1 4.07Å; W937-L987 HydrophobicContact CG-CD2 4.3Å; W937-L987 HydrophobicContact CG-CG 4.31Å; W937-L987 HydrophobicContact CZ2-CB 4.44Å; W937-L987 HydrophobicContact CZ3-CD1 4.03Å; R940-L987 HydrophobicContact CB-CD2 3.57Å; R940-L987 HydrophobicContact CG-CD2 4.23Å; Y963-L987 HydrophobicContact CD2-CD2 4.04Å; Y963-L987 HydrophobicContact CE2-CD2 3.53Å; Y963-L987 HydrophobicContact CE2-CG 4.23Å; L987-Y990 HydrophobicContact CD1-CD1 4.43Å; L987-Y990 WeakPolarHBondContact O-CB 3.26Å; L987-Y990 PolarHBondContact O-N 2.8Å; L987-Y990 VanDerWaalsContact O-N 3.09Å; L987-F991 HydrophobicContact CD1-CD2 3.87Å; L987-F991 HydrophobicContact CD1-CE2 3.54Å; L987-F991 HydrophobicContact CD1-CZ 4.24Å; L987-F991 HydrophobicContact CD2-CE2 4.03Å; L987-F991 HydrophobicContact CG-CD2 3.82Å; L987-F991 HydrophobicContact CG-CE2 3.7Å; L987-F991 PolarHBondContact O-N 2.98Å |
| 988 | D | 74.9 | Confident | 66.7 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 175.1 | -49.6 | -68.4 | 0 | 0 | 0 | 110 | R940 Y963 G986 Y990 F991 H992 | R940-D988 IonicContact CZ-OD2 3.22Å; R940-D988 IonicContact NH1-OD1 3.78Å; R940-D988 IonicContact NH1-OD2 3.22Å; R940-D988 PolarHBondContact NH1-OD2 2.78Å; Y963-D988 VanDerWaalsContact CE1-OD1 3.32Å; Y963-D988 WeakPolarHBondContact CE1-OD1 3.21Å; Y963-D988 PolarHBondContact OH-OD1 3.02Å; G986-D988 VanDerWaalsContact C-N 3.32Å; G986-D988 PolarHBondContact O-N 3.17Å; D988-Y990 PolarHBondContact O-N 3.23Å; D988-F991 PolarHBondContact O-N 3.24Å; D988-H992 WeakPolarHBondContact O-CB 3.37Å; D988-H992 PolarHBondContact O-CD2 2.85Å; D988-H992 PolarHBondContact O-N 3.19Å |
| 989 | S | 71.2 | Confident | 67 | Low | 46 Ų | 46 | 74.4 Ų | 74.4 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -27.5 | 173.8 | 74.6 | 0 | 0 | 0 | 0 | 114 | R889 G986 S993 | R889-S989 PolarHBondContact NH2-OG 2.75Å; G986-S989 PolarHBondContact O-N 3.14Å; G986-S989 PolarHBondContact O-OG 3.33Å; S989-S993 PolarHBondContact O-N 2.93Å |
| 990 | Y | 70.2 | Confident | 67.7 | Low | 24 Ų | 24 | 68.8 Ų | 68.8 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -75.7 | -45.6 | 178.9 | -178 | -88.7 | 0 | 0 | 0 | 111.6 | H929 L933 W937 G986 L987 D988 S993 | H929-Y990 PolarHBondContact CD2-OH 2.99Å; L933-Y990 HydrophobicContact CD1-CE1 4.25Å; L933-Y990 HydrophobicContact CD2-CD1 3.75Å; L933-Y990 HydrophobicContact CD2-CE1 3.45Å; L933-Y990 VanDerWaalsContact CD2-CE1 3.45Å; L933-Y990 HydrophobicContact CG-CE1 3.86Å; W937-Y990 AromaticContact CH2-CD2 3.9Å; W937-Y990 HydrophobicContact CH2-CD2 3.9Å; W937-Y990 AromaticContact CH2-CG 3.96Å; W937-Y990 HydrophobicContact CH2-CG 3.96Å; W937-Y990 HydrophobicContact CZ3-CD1 4.42Å; W937-Y990 AromaticContact CZ3-CD2 3.94Å; W937-Y990 HydrophobicContact CZ3-CD2 3.94Å; W937-Y990 HydrophobicContact CZ3-CE2 4.4Å; W937-Y990 AromaticContact CZ3-CG 3.94Å; W937-Y990 HydrophobicContact CZ3-CG 3.94Å; G986-Y990 PolarHBondContact O-N 3.12Å; L987-Y990 HydrophobicContact CD1-CD1 4.43Å; L987-Y990 WeakPolarHBondContact O-CB 3.26Å; L987-Y990 PolarHBondContact O-N 2.8Å; L987-Y990 VanDerWaalsContact O-N 3.09Å; D988-Y990 PolarHBondContact O-N 3.23Å; Y990-S993 PolarHBondContact O-N 2.7Å |
| 991 | F | 74.5 | Confident | 68.2 | Low | 23 Ų | 23 | 65.4 Ų | 65.4 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.1 | -24.5 | 176.3 | -74.3 | -55.9 | 0 | 0 | 0 | 113.7 | L933 L959 K960 Y963 L987 D988 | L933-F991 HydrophobicContact CD2-CZ 4.36Å; L959-F991 HydrophobicContact CB-CE1 4.09Å; L959-F991 HydrophobicContact CB-CZ 4.22Å; K960-F991 HydrophobicContact CB-CD1 4.03Å; K960-F991 VanDerWaalsContact CD-O 3.3Å; K960-F991 WeakPolarHBondContact CD-O 3.39Å; K960-F991 WeakPolarHBondContact CE-O 3.3Å; K960-F991 HydrophobicContact CG-CB 4.29Å; K960-F991 PolarHBondContact NZ-O 2.85Å; Y963-F991 AromaticContact CD1-CD2 3.43Å; Y963-F991 HydrophobicContact CD1-CD2 3.43Å; Y963-F991 VanDerWaalsContact CD1-CD2 3.43Å; Y963-F991 AromaticContact CD1-CE2 3.86Å; Y963-F991 HydrophobicContact CD1-CE2 3.86Å; Y963-F991 HydrophobicContact CD1-CG 4.34Å; Y963-F991 HydrophobicContact CD2-CD2 4.39Å; Y963-F991 HydrophobicContact CD2-CE2 4.01Å; Y963-F991 AromaticContact CE1-CD2 3.96Å; Y963-F991 HydrophobicContact CE1-CD2 3.96Å; Y963-F991 AromaticContact CG-CD2 3.67Å; Y963-F991 HydrophobicContact CG-CD2 3.67Å; Y963-F991 AromaticContact CG-CE2 3.57Å; Y963-F991 HydrophobicContact CG-CE2 3.57Å; L987-F991 HydrophobicContact CD1-CD2 3.87Å; L987-F991 HydrophobicContact CD1-CE2 3.54Å; L987-F991 HydrophobicContact CD1-CZ 4.24Å; L987-F991 HydrophobicContact CD2-CE2 4.03Å; L987-F991 HydrophobicContact CG-CD2 3.82Å; L987-F991 HydrophobicContact CG-CE2 3.7Å; L987-F991 PolarHBondContact O-N 2.98Å; D988-F991 PolarHBondContact O-N 3.24Å |
| 992 | H | 67.7 | Low | 68.4 | Low | 132 Ų | 132 | 67.1 Ų | 67.1 | 61% | 0.611 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -73.4 | -26.1 | 171.8 | -85.6 | -72.5 | 0 | 0 | 0 | 113.3 | D988 | D988-H992 WeakPolarHBondContact O-CB 3.37Å; D988-H992 PolarHBondContact O-CD2 2.85Å; D988-H992 PolarHBondContact O-N 3.19Å |
| 993 | S | 59.5 | Low | 69.2 | Low | 35 Ų | 35 | 65.2 Ų | 65.2 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -68.8 | 141.6 | 171.8 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | V888 S989 Y990 V995 | V888-S993 WeakPolarHBondContact CG1-OG 3.41Å; S989-S993 PolarHBondContact O-N 2.93Å; Y990-S993 PolarHBondContact O-N 2.7Å; S993-V995 PolarHBondContact O-N 2.99Å; S993-V995 WeakPolarHBondContact OG-CG2 3.13Å |
| 994 | E | 54.1 | Low | 70 | Confident | 188 Ų | 188 | 60.8 Ų | 60.8 | 88% | 0.879 | 31% | 0.306 | S | S | * | . | trans | -81.8 | 53.1 | -176.1 | -60 | -168.7 | 144.7 | 0 | 0 | 112.4 | E996 | E994-E996 PolarHBondContact O-N 2.7Š| ||
| 995 | V | 51.4 | Low | 70.7 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | trans | -81.7 | 103.7 | -173.9 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | V888 H929 S993 | V888-V995 HydrophobicContact CG1-CG2 4.46Å; H929-V995 WeakPolarHBondContact NE2-CG1 3.39Å; S993-V995 PolarHBondContact O-N 2.99Å; S993-V995 WeakPolarHBondContact OG-CG2 3.13Å | ||
| 996 | E | 53.6 | Low | 71.5 | Confident | 140 Ų | 140 | 54.1 Ų | 54.1 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -75.1 | 140.6 | 159.1 | -67.4 | -168.7 | 149.9 | 0 | 0 | 110.9 | E994 | E994-E996 PolarHBondContact O-N 2.7Š|
| 997 | P | 54.9 | Low | 72.1 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 26% | 0.26 | 28% | 0.276 | S | S | . | . | S | Bend | cis | -84.4 | 134.9 | 1.6 | 32.8 | -33.7 | 0 | 0 | 0 | 112.6 | V925 T926 L999 | V925-P997 HydrophobicContact CB-CG 4.39Å; V925-P997 HydrophobicContact CG1-CG 3.78Å; T926-P997 HydrophobicContact CG2-CB 3.87Å; T926-P997 HydrophobicContact CG2-CG 3.53Å; P997-L999 PolarHBondContact O-N 3.36Å |
| 998 | Q | 65.9 | Low | 72.4 | Confident | 122 Ų | 122 | 55.7 Ų | 55.7 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 132.6 | 170.7 | -62 | -179.6 | 3.7 | 0 | 0 | 110 | ||
| 999 | L | 76.6 | Confident | 72.5 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 142.8 | 174 | -68.1 | 166.6 | 0 | 0 | 0 | 109.8 | T926 H929 W930 L933 T958 L959 P997 H1003 F1007 | T926-L999 HydrophobicContact CG2-CD2 4.1Å; H929-L999 HydrophobicContact CB-CD1 4Å; W930-L999 HydrophobicContact CB-CD1 4.43Å; L933-L999 HydrophobicContact CD1-CD1 3.68Å; T958-L999 WeakPolarHBondContact CA-O 3.36Å; L959-L999 HydrophobicContact CD1-CB 3.48Å; L959-L999 VanDerWaalsContact CD1-CB 3.48Å; L959-L999 PolarHBondContact N-O 3.33Å; P997-L999 PolarHBondContact O-N 3.36Å; L999-H1003 HydrophobicContact CD2-CB 4.16Å; L999-F1007 HydrophobicContact CD2-CE2 4.3Å |
| 1000 | C | 83.4 | Confident | 72.8 | Confident | 24 Ų | 24 | 57 Ų | 57 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -120.3 | 166.6 | -177.1 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | L957 S1002 H1003 M1004 | L957-C1000 CarbonylContact O-C 3.54Å; L957-C1000 VanDerWaalsContact O-CA 3.26Å; L957-C1000 WeakPolarHBondContact O-CA 3.5Å; C1000-S1002 VanDerWaalsContact C-N 3.26Å; C1000-S1002 WeakPolarHBondContact CB-OG 3.35Å; C1000-S1002 PolarHBondContact O-N 3.32Å; C1000-H1003 PolarHBondContact N-ND1 2.83Å; C1000-H1003 WeakPolarHBondContact O-CB 3.49Å; C1000-H1003 PolarHBondContact O-N 3.29Å; C1000-H1003 VanDerWaalsContact O-N 3.14Å; C1000-M1004 PolarHBondContact O-N 2.72Å |
| 1001 | L | 82.7 | Confident | 73 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 175.4 | -72.3 | -177.3 | 0 | 0 | 0 | 113 | L944 L953 L957 V962 M1004 R1005 | L944-L1001 HydrophobicContact CD2-CD2 4.46Å; L953-L1001 HydrophobicContact CB-CD1 3.47Å; L953-L1001 VanDerWaalsContact CB-CD1 3.47Å; L953-L1001 HydrophobicContact CD1-CD1 4.11Å; L953-L1001 HydrophobicContact CG-CD1 4.44Å; L957-L1001 HydrophobicContact CB-CD1 4.18Å; L957-L1001 HydrophobicContact CB-CG 4.47Å; L957-L1001 PolarHBondContact O-N 2.74Å; V962-L1001 HydrophobicContact CG2-CD1 3.97Å; V962-L1001 HydrophobicContact CG2-CD2 4.23Å; V962-L1001 HydrophobicContact CG2-CG 4.12Å; L1001-M1004 HydrophobicContact CD2-CE 3.68Å; L1001-M1004 HydrophobicContact CD2-SD 4.19Å; L1001-M1004 VanDerWaalsContact O-CB 3.3Å; L1001-M1004 WeakPolarHBondContact O-CB 3.25Å; L1001-M1004 PolarHBondContact O-N 3.29Å; L1001-R1005 WeakPolarHBondContact O-CG 3.43Å; L1001-R1005 PolarHBondContact O-N 3.37Å |
| 1002 | S | 81 | Confident | 72.7 | Confident | 42 Ų | 42 | 59 Ų | 59 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.5 | -52.2 | 168.3 | 41.4 | 0 | 0 | 0 | 0 | 113.5 | D955 C1000 M1004 R1005 T1006 | D955-S1002 WeakPolarHBondContact O-CB 3.36Å; D955-S1002 PolarHBondContact O-N 3.14Å; D955-S1002 PolarHBondContact O-OG 3.25Å; C1000-S1002 VanDerWaalsContact C-N 3.26Å; C1000-S1002 WeakPolarHBondContact CB-OG 3.35Å; C1000-S1002 PolarHBondContact O-N 3.32Å; S1002-M1004 VanDerWaalsContact C-N 3.27Å; S1002-M1004 PolarHBondContact O-N 3.07Å; S1002-R1005 PolarHBondContact O-N 2.98Å; S1002-T1006 WeakPolarHBondContact O-CB 3.32Å; S1002-T1006 PolarHBondContact O-N 2.93Å; S1002-T1006 PolarHBondContact O-OG1 2.85Å |
| 1003 | H | 83.9 | Confident | 72.6 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 30% | 0.296 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | 173.5 | -68.2 | 120.5 | 0 | 0 | 0 | 111.3 | L999 C1000 T1006 F1007 | L999-H1003 HydrophobicContact CD2-CB 4.16Å; C1000-H1003 PolarHBondContact N-ND1 2.83Å; C1000-H1003 WeakPolarHBondContact O-CB 3.49Å; C1000-H1003 PolarHBondContact O-N 3.29Å; C1000-H1003 VanDerWaalsContact O-N 3.14Å; H1003-T1006 PolarHBondContact O-N 3.07Å; H1003-F1007 HydrophobicContact CB-CE2 4.16Å; H1003-F1007 VanDerWaalsContact O-CD2 3.26Å; H1003-F1007 WeakPolarHBondContact O-CD2 3.45Å; H1003-F1007 VanDerWaalsContact O-CG 3.27Å; H1003-F1007 WeakPolarHBondContact O-CG 3.44Å; H1003-F1007 PolarHBondContact O-N 3.2Å |
| 1004 | M | 84 | Confident | 73.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61 | -52.8 | 179.2 | -155.7 | 179.8 | 71.5 | 0 | 0 | 112.1 | W930 L944 I945 S948 L959 C1000 L1001 S1002 T1006 F1007 I1008 | W930-M1004 HydrophobicContact CE3-CG 4.48Å; W930-M1004 HydrophobicContact CH2-CG 3.32Å; W930-M1004 HydrophobicContact CH2-SD 4.14Å; W930-M1004 HydrophobicContact CZ2-CG 4.21Å; W930-M1004 HydrophobicContact CZ3-CB 4.46Å; W930-M1004 HydrophobicContact CZ3-CG 3.48Å; W930-M1004 VanDerWaalsContact CZ3-CG 3.48Å; W930-M1004 HydrophobicContact CZ3-SD 4.21Å; L944-M1004 HydrophobicContact CD2-CE 4.41Å; L944-M1004 HydrophobicContact CD2-SD 3.78Å; I945-M1004 HydrophobicContact CB-CE 4.41Å; I945-M1004 HydrophobicContact CG1-CE 4.02Å; I945-M1004 HydrophobicContact CG1-SD 3.86Å; S948-M1004 WeakPolarHBondContact OG-CE 3.14Å; L959-M1004 HydrophobicContact CD1-CB 4.27Å; L959-M1004 HydrophobicContact CD2-SD 4Å; L959-M1004 HydrophobicContact CG-SD 4.45Å; C1000-M1004 PolarHBondContact O-N 2.72Å; L1001-M1004 HydrophobicContact CD2-CE 3.68Å; L1001-M1004 HydrophobicContact CD2-SD 4.19Å; L1001-M1004 VanDerWaalsContact O-CB 3.3Å; L1001-M1004 WeakPolarHBondContact O-CB 3.25Å; L1001-M1004 PolarHBondContact O-N 3.29Å; S1002-M1004 VanDerWaalsContact C-N 3.27Å; S1002-M1004 PolarHBondContact O-N 3.07Å; M1004-T1006 PolarHBondContact O-N 2.95Å; M1004-F1007 PolarHBondContact O-N 3.33Å; M1004-F1007 VanDerWaalsContact O-N 3.15Å; M1004-I1008 HydrophobicContact CE-CD1 4.18Å; M1004-I1008 HydrophobicContact CG-CD1 3.97Å; M1004-I1008 HydrophobicContact CG-CG1 4.45Å; M1004-I1008 WeakPolarHBondContact O-CD1 3.05Å; M1004-I1008 VanDerWaalsContact O-CG1 3.26Å; M1004-I1008 WeakPolarHBondContact O-CG1 3.42Å; M1004-I1008 PolarHBondContact O-N 3.2Å |
| 1005 | R | 82.6 | Confident | 73.8 | Confident | 87 Ų | 87 | 47.5 Ų | 47.5 | 33% | 0.328 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -33.2 | 178.3 | -71.3 | 173.8 | -177.6 | 163.5 | 3.3 | 112 | L953 D955 L1001 S1002 P1009 | L953-R1005 PolarHBondContact O-NH2 2.82Å; D955-R1005 VanDerWaalsContact OD1-CD 3.32Å; D955-R1005 WeakPolarHBondContact OD1-CD 3.45Å; D955-R1005 IonicContact OD1-CZ 3.77Å; D955-R1005 IonicContact OD1-NE 3.29Å; D955-R1005 IonicContact OD1-NH1 2.74Å; D955-R1005 PolarHBondContact OD1-NH1 3.28Å; D955-R1005 IonicContact OD2-NH1 2.83Å; D955-R1005 PolarHBondContact OD2-NH1 3.48Å; L1001-R1005 WeakPolarHBondContact O-CG 3.43Å; L1001-R1005 PolarHBondContact O-N 3.37Å; S1002-R1005 PolarHBondContact O-N 2.98Å; R1005-P1009 WeakPolarHBondContact O-CD 3.5Å |
| 1006 | T | 82.1 | Confident | 74.6 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 176 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | I920 S1002 H1003 M1004 F1010 | I920-T1006 HydrophobicContact CG2-CG2 3.95Å; S1002-T1006 WeakPolarHBondContact O-CB 3.32Å; S1002-T1006 PolarHBondContact O-N 2.93Å; S1002-T1006 PolarHBondContact O-OG1 2.85Å; H1003-T1006 PolarHBondContact O-N 3.07Å; M1004-T1006 PolarHBondContact O-N 2.95Å; T1006-F1010 VanDerWaalsContact O-CD2 3.28Å; T1006-F1010 WeakPolarHBondContact O-CD2 3.36Å; T1006-F1010 VanDerWaalsContact O-CE2 3.28Å; T1006-F1010 WeakPolarHBondContact O-CE2 3.48Å |
| 1007 | F | 84.8 | Confident | 75.4 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -91.7 | -23.9 | -173.4 | -58.2 | -30.4 | 0 | 0 | 0 | 115.2 | M915 F922 L927 W930 L999 H1003 M1004 F1010 S1011 | M915-F1007 HydrophobicContact CE-CD1 4.09Å; M915-F1007 HydrophobicContact CE-CE1 4.17Å; M915-F1007 HydrophobicContact SD-CD1 3.67Å; M915-F1007 HydrophobicContact SD-CE1 3.99Å; F922-F1007 HydrophobicContact CB-CE1 3.9Å; F922-F1007 HydrophobicContact CB-CZ 4.49Å; L927-F1007 HydrophobicContact CD1-CD1 4.41Å; L927-F1007 HydrophobicContact CD1-CG 4.48Å; W930-F1007 HydrophobicContact CB-CD2 3.69Å; W930-F1007 HydrophobicContact CB-CE2 4.13Å; W930-F1007 AromaticContact CD1-CD2 3.72Å; W930-F1007 AromaticContact CD1-CG 3.89Å; W930-F1007 HydrophobicContact CD2-CB 4.24Å; W930-F1007 HydrophobicContact CD2-CD2 4.15Å; W930-F1007 HydrophobicContact CG-CB 3.98Å; W930-F1007 AromaticContact CG-CD2 3.57Å; W930-F1007 HydrophobicContact CG-CD2 3.57Å; W930-F1007 HydrophobicContact CG-CE2 4.47Å; W930-F1007 HydrophobicContact CG-CG 4.19Å; L999-F1007 HydrophobicContact CD2-CE2 4.3Å; H1003-F1007 HydrophobicContact CB-CE2 4.16Å; H1003-F1007 VanDerWaalsContact O-CD2 3.26Å; H1003-F1007 WeakPolarHBondContact O-CD2 3.45Å; H1003-F1007 VanDerWaalsContact O-CG 3.27Å; H1003-F1007 WeakPolarHBondContact O-CG 3.44Å; H1003-F1007 PolarHBondContact O-N 3.2Å; M1004-F1007 PolarHBondContact O-N 3.33Å; M1004-F1007 VanDerWaalsContact O-N 3.15Å; F1007-F1010 PolarHBondContact O-N 3.23Å; F1007-S1011 PolarHBondContact O-N 2.76Å; F1007-S1011 VanDerWaalsContact O-N 3.17Å |
| 1008 | I | 82.4 | Confident | 76.2 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -53.4 | -45.6 | 179.7 | -75.1 | 161.9 | 0 | 0 | 0 | 113.7 | W930 I945 M1004 F1010 S1011 | W930-I1008 HydrophobicContact CH2-CG1 4.17Å; W930-I1008 HydrophobicContact CZ2-CG1 3.78Å; I945-I1008 HydrophobicContact CD1-CD1 4.26Å; I945-I1008 HydrophobicContact CD1-CG1 4.31Å; I945-I1008 HydrophobicContact CG1-CD1 4.07Å; I945-I1008 HydrophobicContact CG2-CD1 3.97Å; M1004-I1008 HydrophobicContact CE-CD1 4.18Å; M1004-I1008 HydrophobicContact CG-CD1 3.97Å; M1004-I1008 HydrophobicContact CG-CG1 4.45Å; M1004-I1008 WeakPolarHBondContact O-CD1 3.05Å; M1004-I1008 VanDerWaalsContact O-CG1 3.26Å; M1004-I1008 WeakPolarHBondContact O-CG1 3.42Å; M1004-I1008 PolarHBondContact O-N 3.2Å; I1008-F1010 PolarHBondContact O-N 3.05Å; I1008-F1010 VanDerWaalsContact O-N 3.15Å; I1008-S1011 PolarHBondContact O-N 3.27Å; I1008-S1011 PolarHBondContact O-OG 2.87Å |
| 1009 | P | 75.9 | Confident | 76.6 | Confident | 91 Ų | 91 | 39.8 Ų | 39.8 | 59% | 0.591 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -64.6 | -19.9 | -177.2 | -23.1 | 34.8 | 0 | 0 | 0 | 114.1 | R1005 | R1005-P1009 WeakPolarHBondContact O-CD 3.5Š|
| 1010 | F | 76.9 | Confident | 76.4 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -109.1 | -4.9 | -175.5 | -46.3 | -65.6 | 0 | 0 | 0 | 112.8 | T911 L914 M915 F918 I920 T1006 F1007 I1008 S1012 | T911-F1010 WeakPolarHBondContact CG2-O 3.33Å; L914-F1010 HydrophobicContact CB-CB 4.35Å; L914-F1010 HydrophobicContact CB-CD1 4.17Å; M915-F1010 HydrophobicContact CG-CB 4Å; M915-F1010 HydrophobicContact CG-CD1 4.44Å; M915-F1010 HydrophobicContact CG-CD2 3.43Å; M915-F1010 VanDerWaalsContact CG-CD2 3.43Å; M915-F1010 HydrophobicContact CG-CE2 4.09Å; M915-F1010 HydrophobicContact CG-CG 3.65Å; M915-F1010 HydrophobicContact SD-CD2 4Å; F918-F1010 AromaticContact CD2-CD1 3.86Å; F918-F1010 HydrophobicContact CD2-CD1 3.86Å; F918-F1010 AromaticContact CD2-CE1 3.34Å; F918-F1010 HydrophobicContact CD2-CE1 3.34Å; F918-F1010 HydrophobicContact CD2-CZ 4.27Å; F918-F1010 HydrophobicContact CE2-CD1 4.11Å; F918-F1010 AromaticContact CE2-CE1 3.77Å; F918-F1010 HydrophobicContact CE2-CE1 3.77Å; F918-F1010 HydrophobicContact CG-CE1 4.13Å; I920-F1010 HydrophobicContact CD1-CD2 4.45Å; I920-F1010 HydrophobicContact CD1-CE1 4.25Å; I920-F1010 HydrophobicContact CD1-CE2 3.37Å; I920-F1010 HydrophobicContact CD1-CZ 3.24Å; T1006-F1010 VanDerWaalsContact O-CD2 3.28Å; T1006-F1010 WeakPolarHBondContact O-CD2 3.36Å; T1006-F1010 VanDerWaalsContact O-CE2 3.28Å; T1006-F1010 WeakPolarHBondContact O-CE2 3.48Å; F1007-F1010 PolarHBondContact O-N 3.23Å; I1008-F1010 PolarHBondContact O-N 3.05Å; I1008-F1010 VanDerWaalsContact O-N 3.15Å; F1010-S1012 PolarHBondContact O-N 2.95Å |
| 1011 | S | 74.8 | Confident | 75.6 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | trans | -83.7 | 101.1 | -179.2 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | F1007 I1008 N1013 | F1007-S1011 PolarHBondContact O-N 2.76Å; F1007-S1011 VanDerWaalsContact O-N 3.17Å; I1008-S1011 PolarHBondContact O-N 3.27Å; I1008-S1011 PolarHBondContact O-OG 2.87Å; S1011-N1013 VanDerWaalsContact C-N 3.25Å; S1011-N1013 PolarHBondContact O-N 2.84Å | ||
| 1012 | S | 69.1 | Low | 75.1 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.4 | 176.5 | 51.5 | 0 | 0 | 0 | 0 | 115.2 | F1010 | F1010-S1012 PolarHBondContact O-N 2.95Š|
| 1013 | N | 65.1 | Low | 74.4 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -10.6 | -167.8 | -67.2 | 31.8 | 0 | 0 | 0 | 114.2 | I934 E935 S1011 | I934-N1013 HydrophobicContact CG2-CB 3.71Å; E935-N1013 PolarHBondContact OE2-ND2 2.96Å; S1011-N1013 VanDerWaalsContact C-N 3.25Å; S1011-N1013 PolarHBondContact O-N 2.84Å |
| 1014 | L | 71.6 | Confident | 73.1 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -104.8 | 97.9 | -174.2 | -162.9 | 145 | 0 | 0 | 0 | 112 | I934 M941 I945 P1016 R1019 | I934-L1014 HydrophobicContact CD1-CB 4.18Å; I934-L1014 HydrophobicContact CD1-CD1 4.13Å; I934-L1014 HydrophobicContact CG1-CD1 3.85Å; I934-L1014 HydrophobicContact CG2-CB 3.9Å; I934-L1014 HydrophobicContact CG2-CD1 4.23Å; I934-L1014 HydrophobicContact CG2-CG 4.47Å; M941-L1014 HydrophobicContact CB-CD1 4.3Å; I945-L1014 HydrophobicContact CD1-CD1 3.56Å; I945-L1014 HydrophobicContact CD1-CD2 3.86Å; I945-L1014 HydrophobicContact CD1-CG 4.38Å; L1014-P1016 WeakPolarHBondContact O-CD 3.47Å; L1014-R1019 HydrophobicContact CD2-CG 4.14Å; L1014-R1019 PolarHBondContact O-NH2 3.37Å |
| 1015 | D | 66.4 | Low | 71.8 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | trans | -54.8 | 117 | -172.4 | -171.6 | -11.9 | 0 | 0 | 0 | 113.2 | R407 Y1017 V1018 | R407-D1015 IonicContact CZ-OD2 3.43Å; R407-D1015 IonicContact NH1-OD1 2.85Å; R407-D1015 PolarHBondContact NH1-OD1 3.07Å; R407-D1015 IonicContact NH1-OD2 3.79Å; R407-D1015 PolarHBondContact NH1-OD2 3.32Å; D1015-Y1017 PolarHBondContact O-N 3.47Å; D1015-Y1017 WeakPolarHBondContact OD1-CB 3.46Å; D1015-Y1017 PolarHBondContact OD1-N 3.12Å; D1015-V1018 HydrophobicContact CB-CG2 4.14Å; D1015-V1018 PolarHBondContact O-N 3.36Å | ||
| 1016 | P | 70.2 | Confident | 70.3 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.1 | -8.1 | 175.9 | -22.4 | 34.3 | 0 | 0 | 0 | 115 | L1014 R1020 | L1014-P1016 WeakPolarHBondContact O-CD 3.47Å; P1016-R1020 WeakPolarHBondContact O-CG 3.49Å; P1016-R1020 PolarHBondContact O-N 2.88Å; P1016-R1020 PolarHBondContact O-NE 3.06Å |
| 1017 | Y | 69.1 | Low | 68.8 | Low | 68 Ų | 68 | 54 Ų | 54 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -79.4 | -39.7 | 174.3 | -176.7 | -117 | 0 | 0 | 0 | 112.5 | D1015 R1019 R1020 L1021 | D1015-Y1017 PolarHBondContact O-N 3.47Å; D1015-Y1017 WeakPolarHBondContact OD1-CB 3.46Å; D1015-Y1017 PolarHBondContact OD1-N 3.12Å; Y1017-R1019 VanDerWaalsContact C-N 3.33Å; Y1017-R1019 PolarHBondContact O-N 3.34Å; Y1017-R1020 PolarHBondContact O-N 2.93Å; Y1017-R1020 VanDerWaalsContact O-N 3.12Å; Y1017-L1021 HydrophobicContact CD1-CD1 3.68Å; Y1017-L1021 HydrophobicContact CE1-CD1 3.36Å; Y1017-L1021 HydrophobicContact CE2-CD1 4.27Å; Y1017-L1021 HydrophobicContact CG-CD1 4.24Å; Y1017-L1021 PolarHBondContact O-N 3.32Å |
| 1018 | V | 72.5 | Confident | 67.1 | Low | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | Y939 M980 D1015 R1020 L1021 I1022 | Y939-V1018 HydrophobicContact CD2-CG1 4.18Å; M980-V1018 HydrophobicContact CE-CG2 3.82Å; M980-V1018 HydrophobicContact SD-CG2 4.03Å; D1015-V1018 HydrophobicContact CB-CG2 4.14Å; D1015-V1018 PolarHBondContact O-N 3.36Å; V1018-R1020 PolarHBondContact O-N 3.43Å; V1018-L1021 WeakPolarHBondContact O-CB 3.28Å; V1018-L1021 PolarHBondContact O-N 3.37Å; V1018-I1022 HydrophobicContact CG1-CD1 4.27Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.38Å; V1018-I1022 PolarHBondContact O-N 3.42Å; V1018-I1022 VanDerWaalsContact O-N 3.08Å |
| 1019 | R | 74.2 | Confident | 65.5 | Low | 42 Ų | 42 | 57.9 Ų | 57.9 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.3 | -76.6 | -175.6 | -74.2 | 163.8 | -11.2 | 113.1 | E946 L1014 Y1017 I1022 R1023 | E946-R1019 HydrophobicContact CG-CB 4.17Å; E946-R1019 HydrophobicContact CG-CG 4.11Å; E946-R1019 WeakPolarHBondContact OE1-CB 3.45Å; E946-R1019 VanDerWaalsContact OE1-CD 3.23Å; E946-R1019 WeakPolarHBondContact OE1-CD 3.31Å; E946-R1019 WeakPolarHBondContact OE1-CG 3.32Å; L1014-R1019 HydrophobicContact CD2-CG 4.14Å; L1014-R1019 PolarHBondContact O-NH2 3.37Å; Y1017-R1019 VanDerWaalsContact C-N 3.33Å; Y1017-R1019 PolarHBondContact O-N 3.34Å; R1019-I1022 PolarHBondContact O-N 2.79Å; R1019-R1023 WeakPolarHBondContact O-CG 3.29Å; R1019-R1023 PolarHBondContact O-N 3.06Å |
| 1020 | R | 71.7 | Confident | 64.3 | Low | 113 Ų | 113 | 56.6 Ų | 56.6 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 174.2 | -86.1 | -179.5 | -79.4 | 164.9 | -14.1 | 113.3 | P1016 Y1017 V1018 R1023 G1024 | P1016-R1020 WeakPolarHBondContact O-CG 3.49Å; P1016-R1020 PolarHBondContact O-N 2.88Å; P1016-R1020 PolarHBondContact O-NE 3.06Å; Y1017-R1020 PolarHBondContact O-N 2.93Å; Y1017-R1020 VanDerWaalsContact O-N 3.12Å; V1018-R1020 PolarHBondContact O-N 3.43Å; R1020-R1023 CarbonylContact O-C 3.6Å; R1020-R1023 PolarHBondContact O-N 2.89Å; R1020-G1024 PolarHBondContact O-N 2.81Å |
| 1021 | L | 67.2 | Low | 63 | Low | 57 Ų | 57 | 56 Ų | 56 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 173.7 | -91.6 | 151 | 0 | 0 | 0 | 112.4 | F977 Y1017 V1018 R1023 G1024 G1025 | F977-L1021 HydrophobicContact CE1-CD1 3.75Å; F977-L1021 HydrophobicContact CE2-CD2 4.46Å; F977-L1021 HydrophobicContact CZ-CD1 3.54Å; F977-L1021 HydrophobicContact CZ-CD2 3.99Å; F977-L1021 HydrophobicContact CZ-CG 4.25Å; Y1017-L1021 HydrophobicContact CD1-CD1 3.68Å; Y1017-L1021 HydrophobicContact CE1-CD1 3.36Å; Y1017-L1021 HydrophobicContact CE2-CD1 4.27Å; Y1017-L1021 HydrophobicContact CG-CD1 4.24Å; Y1017-L1021 PolarHBondContact O-N 3.32Å; V1018-L1021 WeakPolarHBondContact O-CB 3.28Å; V1018-L1021 PolarHBondContact O-N 3.37Å; L1021-R1023 VanDerWaalsContact C-N 3.31Å; L1021-R1023 PolarHBondContact O-N 3.48Å; L1021-G1024 PolarHBondContact O-N 3.49Å; L1021-G1025 PolarHBondContact O-N 2.96Å |
| 1022 | I | 71.1 | Confident | 61.8 | Low | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 175 | -66.3 | 163.1 | 0 | 0 | 0 | 110.8 | W943 E946 V1018 R1019 G1024 C1027 | W943-I1022 HydrophobicContact CB-CD1 4.44Å; W943-I1022 HydrophobicContact CD2-CD1 4.29Å; W943-I1022 HydrophobicContact CD2-CG1 4.38Å; W943-I1022 HydrophobicContact CD2-CG2 3.95Å; W943-I1022 HydrophobicContact CE3-CG2 3.95Å; W943-I1022 HydrophobicContact CG-CD1 3.89Å; W943-I1022 HydrophobicContact CG-CG1 4.45Å; W943-I1022 HydrophobicContact CH2-CG2 4.3Å; W943-I1022 HydrophobicContact CZ2-CG2 4.26Å; W943-I1022 HydrophobicContact CZ3-CG2 4.14Å; E946-I1022 HydrophobicContact CB-CG2 4.2Å; E946-I1022 HydrophobicContact CG-CG2 4.37Å; V1018-I1022 HydrophobicContact CG1-CD1 4.27Å; V1018-I1022 WeakPolarHBondContact O-CG1 3.38Å; V1018-I1022 PolarHBondContact O-N 3.42Å; V1018-I1022 VanDerWaalsContact O-N 3.08Å; R1019-I1022 PolarHBondContact O-N 2.79Å; I1022-G1024 VanDerWaalsContact C-N 3.31Å; I1022-G1024 PolarHBondContact O-N 2.65Å; I1022-C1027 WeakPolarHBondContact O-CB 3.01Å |
| 1023 | R | 66.8 | Low | 60.7 | Low | 130 Ų | 130 | 66.6 Ų | 66.6 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.9 | 172.4 | -67 | -176.9 | -171.9 | -177.3 | 4.9 | 115.2 | E946 R1019 R1020 L1021 V1028 | E946-R1023 HydrophobicContact CG-CG 4.49Å; E946-R1023 IonicContact OE1-CZ 3.28Å; E946-R1023 IonicContact OE1-NE 3.74Å; E946-R1023 IonicContact OE1-NH2 2.71Å; E946-R1023 PolarHBondContact OE1-NH2 3.04Å; E946-R1023 IonicContact OE2-CZ 2.72Å; E946-R1023 IonicContact OE2-NE 3.82Å; E946-R1023 PolarHBondContact OE2-NE 3.36Å; E946-R1023 IonicContact OE2-NH2 3.31Å; E946-R1023 PolarHBondContact OE2-NH2 2.66Å; R1019-R1023 WeakPolarHBondContact O-CG 3.29Å; R1019-R1023 PolarHBondContact O-N 3.06Å; R1020-R1023 CarbonylContact O-C 3.6Å; R1020-R1023 PolarHBondContact O-N 2.89Å; L1021-R1023 VanDerWaalsContact C-N 3.31Å; L1021-R1023 PolarHBondContact O-N 3.48Å; R1023-V1028 WeakPolarHBondContact O-CG2 3.33Å |
| 1024 | G | 57.7 | Low | 59.9 | Low | 66 Ų | 66 | 66.1 Ų | 66.1 | 68% | 0.68 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -5.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1020 L1021 I1022 | R1020-G1024 PolarHBondContact O-N 2.81Å; L1021-G1024 PolarHBondContact O-N 3.49Å; I1022-G1024 VanDerWaalsContact C-N 3.31Å; I1022-G1024 PolarHBondContact O-N 2.65Å |
| 1025 | G | 56.6 | Low | 58.7 | Low | 33 Ų | 33 | 69 Ų | 69 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -105.6 | 179.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1021 C1027 V1028 | L1021-G1025 PolarHBondContact O-N 2.96Å; G1025-C1027 PolarHBondContact O-N 2.69Å; G1025-V1028 PolarHBondContact O-N 2.8Å |
| 1026 | Q | 49.3 | Very low | 57.2 | Low | 163 Ų | 163 | 70 Ų | 70 | 76% | 0.762 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -14.2 | 168.8 | -69.4 | 172.7 | -45.2 | 0 | 0 | 113.5 | V1028 I1029 I1030 | Q1026-V1028 PolarHBondContact O-N 3.45Å; Q1026-I1029 WeakPolarHBondContact O-CB 3.45Å; Q1026-I1029 PolarHBondContact O-N 3.5Å; Q1026-I1030 PolarHBondContact O-N 3.39Å |
| 1027 | C | 50.7 | Low | 55.7 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -47.9 | -33.7 | 165.4 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | W943 I1022 G1025 I1029 I1030 I1031 | W943-C1027 HydrophobicContact CH2-CB 3.58Å; W943-C1027 HydrophobicContact CZ2-CB 3.85Å; I1022-C1027 WeakPolarHBondContact O-CB 3.01Å; G1025-C1027 PolarHBondContact O-N 2.69Å; C1027-I1029 VanDerWaalsContact C-N 3.34Å; C1027-I1029 PolarHBondContact O-N 3.22Å; C1027-I1030 WeakPolarHBondContact O-CB 3.34Å; C1027-I1030 PolarHBondContact O-N 3.22Å; C1027-I1031 WeakPolarHBondContact O-CG1 3.33Å; C1027-I1031 PolarHBondContact O-N 2.98Å |
| 1028 | V | 49.9 | Very low | 54.3 | Low | 43 Ų | 43 | 78.9 Ų | 78.9 | 26% | 0.261 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | R1023 G1025 Q1026 I1030 I1031 Y1032 | R1023-V1028 WeakPolarHBondContact O-CG2 3.33Å; G1025-V1028 PolarHBondContact O-N 2.8Å; Q1026-V1028 PolarHBondContact O-N 3.45Å; V1028-I1030 VanDerWaalsContact C-N 3.26Å; V1028-I1030 PolarHBondContact O-N 3.42Å; V1028-I1031 PolarHBondContact O-N 2.78Å; V1028-I1031 VanDerWaalsContact O-N 3.13Å; V1028-Y1032 HydrophobicContact CG1-CD2 3.66Å; V1028-Y1032 HydrophobicContact CG1-CE2 3.69Å; V1028-Y1032 WeakPolarHBondContact O-CD2 3.12Å; V1028-Y1032 PolarHBondContact O-N 2.93Å |
| 1029 | I | 49.2 | Very low | 52.3 | Low | 78 Ų | 78 | 81.9 Ų | 81.9 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 176.7 | -56 | 169.1 | 0 | 0 | 0 | 110.4 | Q1026 C1027 R1033 | Q1026-I1029 WeakPolarHBondContact O-CB 3.45Å; Q1026-I1029 PolarHBondContact O-N 3.5Å; C1027-I1029 VanDerWaalsContact C-N 3.34Å; C1027-I1029 PolarHBondContact O-N 3.22Å; I1029-R1033 HydrophobicContact CG2-CG 4.22Å; I1029-R1033 VanDerWaalsContact O-CB 3.26Å; I1029-R1033 WeakPolarHBondContact O-CB 3.43Å; I1029-R1033 WeakPolarHBondContact O-CG 3.35Å; I1029-R1033 PolarHBondContact O-N 2.88Å |
| 1030 | I | 51.3 | Low | 50.4 | Low | 64 Ų | 64 | 84 Ų | 84 | 33% | 0.328 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 174.9 | -56.8 | 175.8 | 0 | 0 | 0 | 110.9 | P971 Q1026 C1027 V1028 V1034 | P971-I1030 HydrophobicContact CG-CD1 3.8Å; Q1026-I1030 PolarHBondContact O-N 3.39Å; C1027-I1030 WeakPolarHBondContact O-CB 3.34Å; C1027-I1030 PolarHBondContact O-N 3.22Å; V1028-I1030 VanDerWaalsContact C-N 3.26Å; V1028-I1030 PolarHBondContact O-N 3.42Å; I1030-V1034 WeakPolarHBondContact O-CB 3.47Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.26Å |
| 1031 | I | 49.4 | Very low | 48.7 | Very low | 17 Ų | 17 | 85.6 Ų | 85.6 | 9% | 0.087 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 174.6 | -64.7 | 166.4 | 0 | 0 | 0 | 110.4 | W943 C1027 V1028 V1034 T1035 | W943-I1031 HydrophobicContact CZ3-CD1 4.02Å; W943-I1031 HydrophobicContact CZ3-CG1 4.04Å; C1027-I1031 WeakPolarHBondContact O-CG1 3.33Å; C1027-I1031 PolarHBondContact O-N 2.98Å; V1028-I1031 PolarHBondContact O-N 2.78Å; V1028-I1031 VanDerWaalsContact O-N 3.13Å; I1031-V1034 WeakPolarHBondContact O-CB 3.39Å; I1031-V1034 PolarHBondContact O-N 2.95Å; I1031-T1035 PolarHBondContact O-N 3.19Å; I1031-T1035 PolarHBondContact O-OG1 2.99Å |
| 1032 | Y | 49 | Very low | 47.2 | Very low | 137 Ų | 137 | 90 Ų | 90 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | -178.5 | -88.2 | -110 | 0 | 0 | 0 | 113.3 | V1028 V1034 T1035 | V1028-Y1032 HydrophobicContact CG1-CD2 3.66Å; V1028-Y1032 HydrophobicContact CG1-CE2 3.69Å; V1028-Y1032 WeakPolarHBondContact O-CD2 3.12Å; V1028-Y1032 PolarHBondContact O-N 2.93Å; Y1032-V1034 PolarHBondContact O-N 3.19Å; Y1032-V1034 VanDerWaalsContact O-N 3.09Å; Y1032-T1035 PolarHBondContact O-N 3.27Å |
| 1033 | R | 46.6 | Very low | 45.4 | Very low | 174 Ų | 174 | 93 Ų | 93 | 66% | 0.657 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -11.7 | 173.3 | -79.5 | -176.7 | 174.5 | 176.8 | 0.6 | 113.8 | I1029 L1043 | I1029-R1033 HydrophobicContact CG2-CG 4.22Å; I1029-R1033 VanDerWaalsContact O-CB 3.26Å; I1029-R1033 WeakPolarHBondContact O-CB 3.43Å; I1029-R1033 WeakPolarHBondContact O-CG 3.35Å; I1029-R1033 PolarHBondContact O-N 2.88Å; R1033-L1043 HydrophobicContact CG-CD2 4.27Å |
| 1034 | V | 47.8 | Very low | 44.1 | Very low | 48 Ų | 48 | 94.9 Ų | 94.9 | 29% | 0.291 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -102 | -23.1 | -175.8 | 157.6 | 0 | 0 | 0 | 0 | 113.1 | R969 I1030 I1031 Y1032 | R969-V1034 HydrophobicContact CG-CG2 4.34Å; R969-V1034 VanDerWaalsContact CZ-CG1 3.41Å; I1030-V1034 WeakPolarHBondContact O-CB 3.47Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.26Å; I1031-V1034 WeakPolarHBondContact O-CB 3.39Å; I1031-V1034 PolarHBondContact O-N 2.95Å; Y1032-V1034 PolarHBondContact O-N 3.19Å; Y1032-V1034 VanDerWaalsContact O-N 3.09Å |
| 1035 | T | 45.3 | Very low | 43 | Very low | 66 Ų | 66 | 99 Ų | 99 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -104.2 | -14.9 | -168.3 | 52.9 | 0 | 0 | 0 | 0 | 116.1 | I1031 Y1032 | I1031-T1035 PolarHBondContact O-N 3.19Å; I1031-T1035 PolarHBondContact O-OG1 2.99Å; Y1032-T1035 PolarHBondContact O-N 3.27Å |
| 1036 | C | 35.6 | Very low | 41.9 | Very low | 70 Ų | 70 | 105.5 Ų | 105.5 | 47% | 0.473 | 54% | 0.536 | S | S | . | . | trans | -137.2 | 104.6 | -176.9 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | E1038 C1039 | C1036-E1038 PolarHBondContact O-N 3.4Å; C1036-C1039 HydrophobicContact CB-CB 3.84Å | ||
| 1037 | T | 39.6 | Very low | 40.9 | Very low | 145 Ų | 145 | 105 Ų | 105 | 89% | 0.89 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -3.7 | 166.3 | 45.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1038 | E | 38.7 | Very low | 39.8 | Very low | 181 Ų | 181 | 107.7 Ų | 107.7 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 13.5 | -172.6 | -59.8 | -178.1 | 140.7 | 0 | 0 | 113 | C1036 | C1036-E1038 PolarHBondContact O-N 3.4Š|
| 1039 | C | 30.1 | Very low | 38.6 | Very low | 68 Ų | 68 | 112 Ų | 112 | 46% | 0.459 | 59% | 0.586 | S | S | . | * | trans | -131.6 | 31.1 | -177.7 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | C1036 D1041 | C1036-C1039 HydrophobicContact CB-CB 3.84Å; C1039-D1041 VanDerWaalsContact C-N 3.27Å; C1039-D1041 PolarHBondContact O-N 3.47Å | ||
| 1040 | S | 35.1 | Very low | 37.5 | Very low | 86 Ų | 86 | 112.5 Ų | 112.5 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -60.6 | -37.1 | -178.9 | -159.8 | 0 | 0 | 0 | 0 | 112.5 | K1042 L1043 | S1040-K1042 PolarHBondContact O-N 3.2Å; S1040-K1042 VanDerWaalsContact O-N 3.09Å; S1040-L1043 PolarHBondContact O-N 3.09Å |
| 1041 | D | 35.9 | Very low | 36.2 | Very low | 147 Ų | 147 | 118.5 Ų | 118.5 | 79% | 0.786 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -71.5 | -6.9 | -169.4 | -48.3 | -12.2 | 0 | 0 | 0 | 114 | C1039 | C1039-D1041 VanDerWaalsContact C-N 3.27Å; C1039-D1041 PolarHBondContact O-N 3.47Å |
| 1042 | K | 35.9 | Very low | 35 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -105.1 | 3.7 | 176.7 | -69.6 | -161.8 | 171 | -163 | 0 | 114.6 | S1040 | S1040-K1042 PolarHBondContact O-N 3.2Å; S1040-K1042 VanDerWaalsContact O-N 3.09Å |
| 1043 | L | 34 | Very low | 33.9 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 36% | 0.356 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -81.8 | -31.3 | 172.7 | -97.6 | 68.8 | 0 | 0 | 0 | 112.4 | R1033 S1040 E1045 M1046 | R1033-L1043 HydrophobicContact CG-CD2 4.27Å; S1040-L1043 PolarHBondContact O-N 3.09Å; L1043-E1045 VanDerWaalsContact C-N 3.33Å; L1043-E1045 PolarHBondContact O-N 2.91Å; L1043-M1046 PolarHBondContact O-N 3.32Å |
| 1044 | E | 37.7 | Very low | 32.8 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -71.6 | -25.6 | -176.2 | -60.4 | -168.9 | 151 | 0 | 0 | 113 | M1046 | E1044-M1046 PolarHBondContact O-N 3.13Š|
| 1045 | E | 34.8 | Very low | 31.8 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -70.3 | -15 | 173.4 | -65.2 | -173.5 | 135.7 | 0 | 0 | 113.6 | L1043 | L1043-E1045 VanDerWaalsContact C-N 3.33Å; L1043-E1045 PolarHBondContact O-N 2.91Å |
| 1046 | M | 34.5 | Very low | 30.7 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 84% | 0.837 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -97.3 | -4.8 | -178.7 | -70.9 | -165.5 | 174.8 | 0 | 0 | 114.8 | L1043 E1044 | L1043-M1046 PolarHBondContact O-N 3.32Å; E1044-M1046 PolarHBondContact O-N 3.13Å |
| 1047 | E | 28.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -101.4 | 5.3 | -179.2 | -63.1 | -166.1 | 157.3 | 0 | 0 | 113.7 | ||
| 1048 | A | 26.1 | Very low | 29.4 | Very low | 74 Ų | 74 | 134 Ų | 134 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | trans | -97.3 | 134.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1049 | P | 26.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 133 Ų | 133 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -100.3 | 84.4 | -176 | 37.2 | -33.7 | 0 | 0 | 0 | 113.8 | ||||
| 1050 | A | 24.6 | Very low | 28.3 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | trans | -160.8 | 158.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1051 | E | 24.8 | Very low | 27.7 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | cis | -159.6 | -177.3 | -24 | -115.9 | 176.5 | -179.8 | 0 | 0 | 106.1 | ||||
| 1052 | E | 24 | Very low | 27.2 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -65.2 | 142.3 | 170.3 | -56.2 | 176.1 | 145.3 | 0 | 0 | 111.1 | ||||
| 1053 | H | 26.8 | Very low | 26.8 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -162.5 | 135.6 | 134.8 | -111.7 | 67.8 | 0 | 0 | 0 | 112.8 | ||||
| 1054 | N | 23.1 | Very low | 26.3 | Very low | 135 Ų | 135 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -79.8 | 153.8 | 168.1 | -60 | -74.5 | 0 | 0 | 0 | 110 | ||||
| 1055 | N | 25.6 | Very low | 25.6 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | 164.8 | 125.3 | 111.1 | -84.8 | -49.4 | 0 | 0 | 0 | 114.4 | |||||
| 1056 | N | 23.4 | Very low | 25.1 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | 49.3 | 124.5 | 129.6 | -59.6 | -23.4 | 0 | 0 | 0 | 122.7 | |||||
| 1057 | V | 23.5 | Very low | 24.8 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | 69.7 | 110.3 | 144.7 | -179.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1058 | G | 23.6 | Very low | 24.9 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 164.9 | 59.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1059 | I | 22.8 | Very low | 25.5 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 58.1 | 135.3 | 141.9 | -58.7 | 160.8 | 0 | 0 | 0 | 119.6 | ||||
| 1060 | S | 23 | Very low | 26.1 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 72.3 | 133.7 | 158.5 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1061 | E | 23.1 | Very low | 26.7 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | 64.3 | 68.4 | 146.6 | -66.5 | -173.9 | -150.4 | 0 | 0 | 121.9 | ||||
| 1062 | E | 25.5 | Very low | 27.2 | Very low | 206 Ų | 206 | 133.6 Ų | 133.6 | 96% | 0.963 | 74% | 0.737 | S | S | * | * | trans | -158.1 | 135.2 | 137.1 | -117 | 175.8 | -150.6 | 0 | 0 | 111 | ||||
| 1063 | G | 26.6 | Very low | 28 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | cis | -173.8 | 73 | -3.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1064 | K | 23.6 | Very low | 29.2 | Very low | 191 Ų | 191 | 119.6 Ų | 119.6 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | trans | 66.7 | 129.8 | 170 | -60.6 | 154.8 | -176.7 | 153.1 | 0 | 117 | C1066 | K1064-C1066 PolarHBondContact O-N 3.23Š| ||
| 1065 | P | 24.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 116.6 Ų | 116.6 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | trans | -65.7 | 134.9 | 165 | 28.9 | -33.4 | 0 | 0 | 0 | 110.3 | K1067 | P1065-K1067 PolarHBondContact O-N 3.17Š| ||
| 1066 | C | 24.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | trans | -60.2 | 135.8 | -179.6 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | K1064 D1068 | K1064-C1066 PolarHBondContact O-N 3.23Å; C1066-D1068 PolarHBondContact O-N 3.05Å | ||
| 1067 | K | 27.2 | Very low | 33.3 | Very low | 182 Ų | 182 | 114.2 Ų | 114.2 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -85.3 | 8.4 | -168.6 | -69.7 | -175.9 | 172.8 | -177.8 | 0 | 113.7 | P1065 | P1065-K1067 PolarHBondContact O-N 3.17Š|
| 1068 | D | 31.8 | Very low | 35 | Very low | 140 Ų | 140 | 108 Ų | 108 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | trans | -122.3 | 23.9 | -144 | -49.6 | -62.4 | 0 | 0 | 0 | 114 | C1066 | C1066-D1068 PolarHBondContact O-N 3.05Š| ||
| 1069 | T | 37.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -114.6 | -5.1 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1070 | V | 38.6 | Very low | 38.1 | Very low | 56 Ų | 56 | 109.2 Ų | 109.2 | 34% | 0.339 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -94.3 | 119.1 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | V1074 L1075 F1078 | V1070-V1074 HydrophobicContact CG1-CB 3.79Å; V1070-V1074 HydrophobicContact CG1-CG1 3.79Å; V1070-L1075 HydrophobicContact CB-CD2 4.01Å; V1070-L1075 HydrophobicContact CB-CG 4.15Å; V1070-L1075 HydrophobicContact CG1-CD2 3.75Å; V1070-L1075 HydrophobicContact CG1-CG 3.78Å; V1070-F1078 HydrophobicContact CG1-CE2 4.16Å |
| 1071 | P | 37.8 | Very low | 39.8 | Very low | 57 Ų | 57 | 108.7 Ų | 108.7 | 37% | 0.37 | 58% | 0.582 | S | S | . | * | trans | -57.7 | 144.3 | 176.7 | -24.9 | 33.9 | 0 | 0 | 0 | 112.3 | F918 G1073 V1074 L1075 | F918-P1071 HydrophobicContact CD1-CB 4.17Å; F918-P1071 HydrophobicContact CE1-CB 3.98Å; F918-P1071 HydrophobicContact CE1-CG 4.33Å; P1071-G1073 PolarHBondContact O-N 3.42Å; P1071-V1074 HydrophobicContact CB-CG2 4.14Å; P1071-V1074 HydrophobicContact CG-CG2 4.15Å; P1071-V1074 WeakPolarHBondContact O-CA 3.43Å; P1071-V1074 PolarHBondContact O-N 2.92Å; P1071-L1075 PolarHBondContact O-N 3.47Å | ||
| 1072 | L | 35.5 | Very low | 41.6 | Very low | 121 Ų | 121 | 102.3 Ų | 102.3 | 63% | 0.634 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -29.4 | 180 | -98.2 | 88.2 | 0 | 0 | 0 | 113.7 | ||
| 1073 | G | 41.6 | Very low | 43.4 | Very low | 36 Ų | 36 | 93.7 Ų | 93.7 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -38.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1071 K1076 | P1071-G1073 PolarHBondContact O-N 3.42Å; G1073-K1076 WeakPolarHBondContact O-CB 3.21Å; G1073-K1076 PolarHBondContact O-N 3.22Å |
| 1074 | V | 50.2 | Low | 45 | Very low | 34 Ų | 34 | 95 Ų | 95 | 21% | 0.206 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -73.8 | -35 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | V1070 P1071 K1076 L1077 F1078 | V1070-V1074 HydrophobicContact CG1-CB 3.79Å; V1070-V1074 HydrophobicContact CG1-CG1 3.79Å; P1071-V1074 HydrophobicContact CB-CG2 4.14Å; P1071-V1074 HydrophobicContact CG-CG2 4.15Å; P1071-V1074 WeakPolarHBondContact O-CA 3.43Å; P1071-V1074 PolarHBondContact O-N 2.92Å; V1074-K1076 PolarHBondContact O-N 3.14Å; V1074-L1077 WeakPolarHBondContact O-CB 3.22Å; V1074-L1077 PolarHBondContact O-N 2.86Å; V1074-F1078 HydrophobicContact CG1-CD2 4.38Å; V1074-F1078 HydrophobicContact CG1-CE2 3.67Å; V1074-F1078 HydrophobicContact CG1-CZ 4.12Å |
| 1075 | L | 51 | Low | 47 | Very low | 73 Ų | 73 | 92.8 Ų | 92.8 | 38% | 0.382 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -18.6 | 170.1 | -70.1 | 175.6 | 0 | 0 | 0 | 113.7 | V1070 P1071 R1079 | V1070-L1075 HydrophobicContact CB-CD2 4.01Å; V1070-L1075 HydrophobicContact CB-CG 4.15Å; V1070-L1075 HydrophobicContact CG1-CD2 3.75Å; V1070-L1075 HydrophobicContact CG1-CG 3.78Å; P1071-L1075 PolarHBondContact O-N 3.47Å; L1075-R1079 WeakPolarHBondContact O-CG 3.16Å; L1075-R1079 PolarHBondContact O-N 3.09Å |
| 1076 | K | 54.2 | Low | 49 | Very low | 121 Ų | 121 | 88.6 Ų | 88.6 | 53% | 0.526 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.8 | -30.6 | 173.7 | -64.5 | 173.8 | -175.4 | 177.7 | 0 | 112.8 | E919 G1073 V1074 R1079 | E919-K1076 IonicContact OE2-NZ 3.92Å; E919-K1076 PolarHBondContact OE2-NZ 2.68Å; G1073-K1076 WeakPolarHBondContact O-CB 3.21Å; G1073-K1076 PolarHBondContact O-N 3.22Å; V1074-K1076 PolarHBondContact O-N 3.14Å; K1076-R1079 PolarHBondContact O-N 3.18Å |
| 1077 | L | 54.6 | Low | 51.4 | Low | 95 Ų | 95 | 87.7 Ų | 87.7 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 173.8 | -70.3 | 164.2 | 0 | 0 | 0 | 110.8 | V1074 R1079 N1080 | V1074-L1077 WeakPolarHBondContact O-CB 3.22Å; V1074-L1077 PolarHBondContact O-N 2.86Å; L1077-R1079 VanDerWaalsContact C-N 3.26Å; L1077-R1079 PolarHBondContact O-N 3.31Å; L1077-N1080 PolarHBondContact O-N 3.06Å |
| 1078 | F | 57.5 | Low | 53.8 | Low | 22 Ų | 22 | 79.1 Ų | 79.1 | 10% | 0.096 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.4 | 179.4 | -57.3 | -45.5 | 0 | 0 | 0 | 114.6 | V1070 V1074 I1153 H1156 | V1070-F1078 HydrophobicContact CG1-CE2 4.16Å; V1074-F1078 HydrophobicContact CG1-CD2 4.38Å; V1074-F1078 HydrophobicContact CG1-CE2 3.67Å; V1074-F1078 HydrophobicContact CG1-CZ 4.12Å; F1078-I1153 HydrophobicContact CE1-CB 4.44Å; F1078-I1153 HydrophobicContact CE1-CG1 3.97Å; F1078-H1156 HydrophobicContact CD1-CB 3.93Å; F1078-H1156 AromaticContact CD1-CD2 3.49Å; F1078-H1156 VanDerWaalsContact CD1-CD2 3.49Å; F1078-H1156 WeakPolarHBondContact CD1-CD2 3.15Å; F1078-H1156 AromaticContact CD1-CG 3.53Å; F1078-H1156 AromaticContact CD2-ND1 3.75Å; F1078-H1156 HydrophobicContact CE1-CB 3.5Å; F1078-H1156 AromaticContact CE1-CG 3.65Å; F1078-H1156 HydrophobicContact CE2-CB 4.25Å; F1078-H1156 HydrophobicContact CG-CB 4.48Å; F1078-H1156 AromaticContact CG-CD2 3.76Å; F1078-H1156 AromaticContact CG-CE1 3.82Å; F1078-H1156 AromaticContact CG-CG 3.74Å; F1078-H1156 AromaticContact CG-ND1 3.77Å; F1078-H1156 AromaticContact CG-NE2 3.81Å; F1078-H1156 HydrophobicContact CZ-CB 3.68Å; F1078-H1156 AromaticContact CZ-CG 3.95Å |
| 1079 | R | 54 | Low | 56 | Low | 193 Ų | 193 | 74.2 Ų | 74.2 | 73% | 0.728 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -2.2 | 175.4 | -82.8 | -178.7 | 176.6 | -164.7 | 0.4 | 114.6 | L1075 K1076 L1077 Q1084 | L1075-R1079 WeakPolarHBondContact O-CG 3.16Å; L1075-R1079 PolarHBondContact O-N 3.09Å; K1076-R1079 PolarHBondContact O-N 3.18Å; L1077-R1079 VanDerWaalsContact C-N 3.26Å; L1077-R1079 PolarHBondContact O-N 3.31Å; R1079-Q1084 PolarHBondContact O-NE2 3.48Å |
| 1080 | N | 59 | Low | 58.1 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | trans | -65.9 | 125.6 | 176.6 | -178.1 | -13.9 | 0 | 0 | 0 | 110.7 | L1077 V1082 W1083 | L1077-N1080 PolarHBondContact O-N 3.06Å; N1080-V1082 PolarHBondContact O-N 2.77Å; N1080-V1082 VanDerWaalsContact O-N 3.11Å; N1080-V1082 WeakPolarHBondContact OD1-CB 3.11Å; N1080-V1082 WeakPolarHBondContact OD1-CG2 3.32Å; N1080-V1082 PolarHBondContact OD1-N 2.79Å; N1080-V1082 VanDerWaalsContact OD1-N 3.08Å; N1080-W1083 PolarHBondContact O-N 3.34Å | ||
| 1081 | P | 59.2 | Low | 60.2 | Low | 92 Ų | 92 | 71.5 Ų | 71.5 | 60% | 0.597 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.6 | -25.5 | -178.5 | 23.4 | -35 | 0 | 0 | 0 | 113.8 | W1083 Q1084 | P1081-W1083 PolarHBondContact O-N 2.84Å; P1081-W1083 VanDerWaalsContact O-N 3.15Å; P1081-Q1084 PolarHBondContact O-N 2.58Å |
| 1082 | V | 60 | Low | 62.6 | Low | 51 Ų | 51 | 72.3 Ų | 72.3 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.1 | -27.9 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | N1080 V1086 K1102 V1184 | N1080-V1082 PolarHBondContact O-N 2.77Å; N1080-V1082 VanDerWaalsContact O-N 3.11Å; N1080-V1082 WeakPolarHBondContact OD1-CB 3.11Å; N1080-V1082 WeakPolarHBondContact OD1-CG2 3.32Å; N1080-V1082 PolarHBondContact OD1-N 2.79Å; N1080-V1082 VanDerWaalsContact OD1-N 3.08Å; V1082-V1086 WeakPolarHBondContact O-CG2 3.49Å; V1082-K1102 HydrophobicContact CG1-CD 4.42Å; V1082-V1184 HydrophobicContact CG2-CG2 4.32Å |
| 1083 | W | 63.1 | Low | 65 | Low | 26 Ų | 26 | 68 Ų | 68 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -93.3 | -12.8 | 178.4 | -47.3 | 138.7 | 0 | 0 | 0 | 113.5 | N1080 P1081 N1085 F1099 K1102 L1103 R1160 | N1080-W1083 PolarHBondContact O-N 3.34Å; P1081-W1083 PolarHBondContact O-N 2.84Å; P1081-W1083 VanDerWaalsContact O-N 3.15Å; W1083-N1085 VanDerWaalsContact C-N 3.3Å; W1083-N1085 PolarHBondContact O-N 3.08Å; W1083-F1099 HydrophobicContact CE3-CD2 4.21Å; W1083-F1099 AromaticContact CE3-CE2 3.86Å; W1083-F1099 HydrophobicContact CE3-CE2 3.86Å; W1083-F1099 HydrophobicContact CH2-CD2 4.23Å; W1083-F1099 HydrophobicContact CH2-CE2 4.19Å; W1083-F1099 AromaticContact CZ3-CD2 3.54Å; W1083-F1099 HydrophobicContact CZ3-CD2 3.54Å; W1083-F1099 AromaticContact CZ3-CE2 3.55Å; W1083-F1099 HydrophobicContact CZ3-CE2 3.55Å; W1083-K1102 HydrophobicContact CH2-CB 3.78Å; W1083-L1103 HydrophobicContact CH2-CD2 4.07Å; W1083-L1103 HydrophobicContact CZ2-CD2 4.07Å; W1083-R1160 PolarHBondContact O-NH1 3.1Å |
| 1084 | Q | 60 | Low | 67 | Low | 91 Ų | 91 | 72.7 Ų | 72.7 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.3 | -18.4 | -173.7 | -67.5 | -177 | 2.9 | 0 | 0 | 113.4 | R1079 P1081 R1160 | R1079-Q1084 PolarHBondContact O-NE2 3.48Å; P1081-Q1084 PolarHBondContact O-N 2.58Å; Q1084-R1160 VanDerWaalsContact C-NH1 3.32Å; Q1084-R1160 PolarHBondContact O-NH1 3.29Å; Q1084-R1160 PolarHBondContact O-NH2 2.88Å |
| 1085 | N | 64.9 | Low | 68.6 | Low | 145 Ų | 145 | 75.3 Ų | 75.3 | 78% | 0.775 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 5.3 | -179.9 | -64.8 | -3.2 | 0 | 0 | 0 | 113.9 | W1083 | W1083-N1085 VanDerWaalsContact C-N 3.3Å; W1083-N1085 PolarHBondContact O-N 3.08Å |
| 1086 | V | 67.7 | Low | 70.1 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | trans | -85 | 119.6 | -179.4 | 180 | 0 | 0 | 0 | 0 | 110.8 | V1082 L1091 L1157 | V1082-V1086 WeakPolarHBondContact O-CG2 3.49Å; V1086-L1091 HydrophobicContact CG1-CD1 3.92Å; V1086-L1091 HydrophobicContact CG1-CD2 4.24Å; V1086-L1091 HydrophobicContact CG1-CG 4.33Å; V1086-L1157 HydrophobicContact CB-CD2 4.45Å; V1086-L1157 HydrophobicContact CG1-CD1 4.48Å | ||
| 1087 | R | 73.9 | Confident | 71.5 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -91.3 | 129.3 | 159.1 | -75.5 | -178.8 | 170.4 | 142.4 | -0 | 108.1 | V1090 K1169 | R1087-V1090 HydrophobicContact CB-CB 4.33Å; R1087-V1090 HydrophobicContact CB-CG2 3.8Å; R1087-K1169 PolarHBondContact NH2-O 2.96Å | ||
| 1088 | L | 78.1 | Confident | 72.9 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -71.1 | -41.7 | -174.7 | -170.8 | 64.3 | 0 | 0 | 0 | 110.4 | V1090 L1091 G1125 L1128 V1154 L1157 R1158 E1161 | L1088-V1090 PolarHBondContact O-N 3.01Å; L1088-V1090 VanDerWaalsContact O-N 3.12Å; L1088-L1091 HydrophobicContact CD1-CD1 4.23Å; L1088-L1091 PolarHBondContact O-N 2.85Å; L1088-G1125 CarbonylContact O-C 3.56Å; L1088-G1125 WeakPolarHBondContact O-CA 3.44Å; L1088-L1128 HydrophobicContact CD1-CB 4.02Å; L1088-L1128 HydrophobicContact CD2-CB 4.42Å; L1088-L1128 WeakPolarHBondContact CD2-O 3.41Å; L1088-L1128 HydrophobicContact CG-CB 4.29Å; L1088-V1154 HydrophobicContact CD2-CG1 4.24Å; L1088-L1157 HydrophobicContact CB-CB 4.32Å; L1088-L1157 HydrophobicContact CD1-CB 4.36Å; L1088-L1157 HydrophobicContact CD1-CD1 4.09Å; L1088-L1157 HydrophobicContact CD2-CB 4.19Å; L1088-R1158 HydrophobicContact CD2-CG 3.76Å; L1088-E1161 WeakPolarHBondContact CA-OE2 3.4Å; L1088-E1161 VanDerWaalsContact CB-OE2 3.31Å; L1088-E1161 WeakPolarHBondContact CB-OE2 3.38Å; L1088-E1161 PolarHBondContact N-OE2 3.18Å |
| 1089 | S | 78.1 | Confident | 74 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -59.4 | -19.1 | 177.5 | 54.1 | 0 | 0 | 0 | 0 | 116.1 | L1126 E1161 | S1089-L1126 WeakPolarHBondContact O-CG 3.36Å; S1089-E1161 WeakPolarHBondContact CB-OE1 3.49Å; S1089-E1161 PolarHBondContact N-OE2 2.81Å; S1089-E1161 VanDerWaalsContact N-OE2 3.1Å; S1089-E1161 PolarHBondContact OG-OE1 2.66Å |
| 1090 | V | 81.3 | Confident | 75.3 | Confident | 101 Ų | 101 | 55.7 Ų | 55.7 | 61% | 0.612 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -93.8 | -18 | -172.7 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | R1087 L1088 T1092 | R1087-V1090 HydrophobicContact CB-CB 4.33Å; R1087-V1090 HydrophobicContact CB-CG2 3.8Å; L1088-V1090 PolarHBondContact O-N 3.01Å; L1088-V1090 VanDerWaalsContact O-N 3.12Å; V1090-T1092 PolarHBondContact O-N 3.36Å |
| 1091 | L | 82.6 | Confident | 76.3 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | trans | -68.4 | 125.6 | -171.2 | -63 | 167.9 | 0 | 0 | 0 | 113 | V1086 L1088 E1095 V1096 G1125 | V1086-L1091 HydrophobicContact CG1-CD1 3.92Å; V1086-L1091 HydrophobicContact CG1-CD2 4.24Å; V1086-L1091 HydrophobicContact CG1-CG 4.33Å; L1088-L1091 HydrophobicContact CD1-CD1 4.23Å; L1088-L1091 PolarHBondContact O-N 2.85Å; L1091-E1095 HydrophobicContact CB-CB 4.38Å; L1091-E1095 HydrophobicContact CD2-CB 3.86Å; L1091-V1096 HydrophobicContact CB-CG2 4Å; L1091-G1125 WeakPolarHBondContact O-CA 3.38Å; L1091-G1125 PolarHBondContact O-N 3.04Å | ||
| 1092 | T | 88.1 | Confident | 77.1 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | trans | -68.6 | 162 | 165.2 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | V1090 Q1094 E1095 V1096 | V1090-T1092 PolarHBondContact O-N 3.36Å; T1092-Q1094 PolarHBondContact O-N 3.14Å; T1092-E1095 WeakPolarHBondContact CB-OE2 3.39Å; T1092-E1095 WeakPolarHBondContact CG2-OE2 3.33Å; T1092-E1095 PolarHBondContact N-OE2 3.17Å; T1092-E1095 PolarHBondContact O-N 2.97Å; T1092-E1095 VanDerWaalsContact O-N 3.08Å; T1092-E1095 WeakPolarHBondContact OG1-CG 3.46Å; T1092-E1095 PolarHBondContact OG1-N 3.09Å; T1092-E1095 PolarHBondContact OG1-OE2 3.37Å; T1092-V1096 WeakPolarHBondContact O-CG2 3.16Å; T1092-V1096 PolarHBondContact O-N 2.74Å | ||
| 1093 | T | 86.2 | Confident | 77.7 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.6 | -34.6 | 176.5 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | V1096 V1097 N1122 | T1093-V1096 PolarHBondContact O-N 3.43Å; T1093-V1097 WeakPolarHBondContact O-CG2 3.37Å; T1093-V1097 PolarHBondContact O-N 3.11Å; T1093-N1122 WeakPolarHBondContact CG2-OD1 3.26Å |
| 1094 | Q | 84.2 | Confident | 77.9 | Confident | 134 Ų | 134 | 63.4 Ų | 63.4 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -73.3 | -30.3 | 178.7 | -163.6 | 151.1 | -11.8 | 0 | 0 | 112.2 | T1092 N1098 | T1092-Q1094 PolarHBondContact O-N 3.14Å; Q1094-N1098 WeakPolarHBondContact O-CB 3.34Å; Q1094-N1098 VanDerWaalsContact O-CG 3.29Å; Q1094-N1098 PolarHBondContact O-N 3.36Å; Q1094-N1098 PolarHBondContact O-ND2 3.01Å |
| 1095 | E | 83.1 | Confident | 78.4 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.4 | -35.2 | 169.9 | -68.7 | 163.7 | 125.4 | 0 | 0 | 112.2 | L1091 T1092 N1098 F1099 | L1091-E1095 HydrophobicContact CB-CB 4.38Å; L1091-E1095 HydrophobicContact CD2-CB 3.86Å; T1092-E1095 WeakPolarHBondContact CB-OE2 3.39Å; T1092-E1095 WeakPolarHBondContact CG2-OE2 3.33Å; T1092-E1095 PolarHBondContact N-OE2 3.17Å; T1092-E1095 PolarHBondContact O-N 2.97Å; T1092-E1095 VanDerWaalsContact O-N 3.08Å; T1092-E1095 WeakPolarHBondContact OG1-CG 3.46Å; T1092-E1095 PolarHBondContact OG1-N 3.09Å; T1092-E1095 PolarHBondContact OG1-OE2 3.37Å; E1095-N1098 CarbonylContact O-C 3.6Å; E1095-N1098 PolarHBondContact O-N 3.37Å; E1095-F1099 VanDerWaalsContact O-CB 3.26Å; E1095-F1099 WeakPolarHBondContact O-CB 3.24Å; E1095-F1099 PolarHBondContact O-N 3.36Å |
| 1096 | V | 82.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 170.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | L1091 T1092 T1093 F1099 L1100 L1128 | L1091-V1096 HydrophobicContact CB-CG2 4Å; T1092-V1096 WeakPolarHBondContact O-CG2 3.16Å; T1092-V1096 PolarHBondContact O-N 2.74Å; T1093-V1096 PolarHBondContact O-N 3.43Å; V1096-F1099 WeakPolarHBondContact O-CB 3.13Å; V1096-F1099 PolarHBondContact O-N 3.43Å; V1096-L1100 PolarHBondContact O-N 3.24Å; V1096-L1128 HydrophobicContact CG1-CD1 3.83Å; V1096-L1128 HydrophobicContact CG2-CD1 4.05Å |
| 1097 | V | 84.4 | Confident | 78.7 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 172.4 | 166.7 | 0 | 0 | 0 | 0 | 111.7 | T1093 F1099 L1100 R1101 A1115 C1118 | T1093-V1097 WeakPolarHBondContact O-CG2 3.37Å; T1093-V1097 PolarHBondContact O-N 3.11Å; V1097-F1099 VanDerWaalsContact C-N 3.28Å; V1097-F1099 PolarHBondContact O-N 2.97Å; V1097-L1100 PolarHBondContact O-N 2.83Å; V1097-R1101 WeakPolarHBondContact O-CG 3.28Å; V1097-R1101 PolarHBondContact O-N 3.43Å; V1097-R1101 VanDerWaalsContact O-N 3.15Å; V1097-A1115 HydrophobicContact CG1-CB 3.81Å; V1097-A1115 HydrophobicContact CG2-CB 4.41Å; V1097-C1118 HydrophobicContact CG2-CB 4.05Å |
| 1098 | N | 82.3 | Confident | 78.7 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.1 | -20.6 | 175.6 | -72.1 | -24.2 | 0 | 0 | 0 | 113.5 | Q1094 E1095 R1101 K1102 | Q1094-N1098 WeakPolarHBondContact O-CB 3.34Å; Q1094-N1098 VanDerWaalsContact O-CG 3.29Å; Q1094-N1098 PolarHBondContact O-N 3.36Å; Q1094-N1098 PolarHBondContact O-ND2 3.01Å; E1095-N1098 CarbonylContact O-C 3.6Å; E1095-N1098 PolarHBondContact O-N 3.37Å; N1098-R1101 PolarHBondContact OD1-NH1 3.31Å; N1098-K1102 WeakPolarHBondContact O-CD 3.37Å; N1098-K1102 WeakPolarHBondContact O-CG 3.48Å |
| 1099 | F | 80.9 | Confident | 78.6 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 5% | 0.053 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.2 | -47.7 | 171.1 | 174.5 | -88.8 | 0 | 0 | 0 | 110.5 | W1083 E1095 V1096 V1097 R1101 K1102 L1103 I1153 L1157 | W1083-F1099 HydrophobicContact CE3-CD2 4.21Å; W1083-F1099 AromaticContact CE3-CE2 3.86Å; W1083-F1099 HydrophobicContact CE3-CE2 3.86Å; W1083-F1099 HydrophobicContact CH2-CD2 4.23Å; W1083-F1099 HydrophobicContact CH2-CE2 4.19Å; W1083-F1099 AromaticContact CZ3-CD2 3.54Å; W1083-F1099 HydrophobicContact CZ3-CD2 3.54Å; W1083-F1099 AromaticContact CZ3-CE2 3.55Å; W1083-F1099 HydrophobicContact CZ3-CE2 3.55Å; E1095-F1099 VanDerWaalsContact O-CB 3.26Å; E1095-F1099 WeakPolarHBondContact O-CB 3.24Å; E1095-F1099 PolarHBondContact O-N 3.36Å; V1096-F1099 WeakPolarHBondContact O-CB 3.13Å; V1096-F1099 PolarHBondContact O-N 3.43Å; V1097-F1099 VanDerWaalsContact C-N 3.28Å; V1097-F1099 PolarHBondContact O-N 2.97Å; F1099-R1101 VanDerWaalsContact C-N 3.29Å; F1099-R1101 PolarHBondContact O-N 2.8Å; F1099-K1102 WeakPolarHBondContact O-CB 3.45Å; F1099-K1102 PolarHBondContact O-N 2.86Å; F1099-L1103 HydrophobicContact CE1-CD1 4.21Å; F1099-L1103 HydrophobicContact CE1-CD2 4.28Å; F1099-L1103 HydrophobicContact CZ-CD2 4.44Å; F1099-I1153 HydrophobicContact CE2-CG2 4.46Å; F1099-I1153 HydrophobicContact CZ-CG2 3.7Å; F1099-L1157 HydrophobicContact CE2-CD1 3.88Å; F1099-L1157 HydrophobicContact CZ-CD1 3.84Å |
| 1100 | L | 80.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.3 | -42.6 | 173.2 | -77.1 | 177.1 | 0 | 0 | 0 | 112.5 | V1096 V1097 K1102 L1103 C1118 M1142 F1150 | V1096-L1100 PolarHBondContact O-N 3.24Å; V1097-L1100 PolarHBondContact O-N 2.83Å; L1100-K1102 PolarHBondContact O-N 3.49Å; L1100-K1102 VanDerWaalsContact O-N 3.14Å; L1100-L1103 HydrophobicContact CD2-CD1 4.11Å; L1100-L1103 PolarHBondContact O-N 3.45Å; L1100-L1103 VanDerWaalsContact O-N 3.11Å; L1100-C1118 HydrophobicContact CD1-CB 4.38Å; L1100-C1118 VanDerWaalsContact CD1-SG 3.51Å; L1100-M1142 HydrophobicContact CD2-CE 3.86Å; L1100-F1150 HydrophobicContact CD2-CD2 3.57Å; L1100-F1150 HydrophobicContact CD2-CE2 3.61Å; L1100-F1150 HydrophobicContact CG-CE2 4.48Å |
| 1101 | R | 81.2 | Confident | 78.3 | Confident | 153 Ų | 153 | 60.5 Ų | 60.5 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.1 | 175.6 | -72.9 | 172.6 | 175 | 152 | -3.2 | 114.6 | V1097 N1098 F1099 | V1097-R1101 WeakPolarHBondContact O-CG 3.28Å; V1097-R1101 PolarHBondContact O-N 3.43Å; V1097-R1101 VanDerWaalsContact O-N 3.15Å; N1098-R1101 PolarHBondContact OD1-NH1 3.31Å; F1099-R1101 VanDerWaalsContact C-N 3.29Å; F1099-R1101 PolarHBondContact O-N 2.8Å |
| 1102 | K | 74.9 | Confident | 78.3 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -1.3 | 177.8 | -69.1 | 170.4 | -177.4 | 178.3 | 0 | 113.2 | V1082 W1083 N1098 F1099 L1100 | V1082-K1102 HydrophobicContact CG1-CD 4.42Å; W1083-K1102 HydrophobicContact CH2-CB 3.78Å; N1098-K1102 WeakPolarHBondContact O-CD 3.37Å; N1098-K1102 WeakPolarHBondContact O-CG 3.48Å; F1099-K1102 WeakPolarHBondContact O-CB 3.45Å; F1099-K1102 PolarHBondContact O-N 2.86Å; L1100-K1102 PolarHBondContact O-N 3.49Å; L1100-K1102 VanDerWaalsContact O-N 3.14Å |
| 1103 | L | 72.9 | Confident | 78.2 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -85.9 | 146.2 | 178.6 | -61.7 | -170.9 | 0 | 0 | 0 | 111.6 | W1083 F1099 L1100 L1105 F1150 I1153 | W1083-L1103 HydrophobicContact CH2-CD2 4.07Å; W1083-L1103 HydrophobicContact CZ2-CD2 4.07Å; F1099-L1103 HydrophobicContact CE1-CD1 4.21Å; F1099-L1103 HydrophobicContact CE1-CD2 4.28Å; F1099-L1103 HydrophobicContact CZ-CD2 4.44Å; L1100-L1103 HydrophobicContact CD2-CD1 4.11Å; L1100-L1103 PolarHBondContact O-N 3.45Å; L1100-L1103 VanDerWaalsContact O-N 3.11Å; L1103-L1105 HydrophobicContact CB-CD1 3.93Å; L1103-L1105 HydrophobicContact CB-CD2 4.18Å; L1103-L1105 HydrophobicContact CB-CG 3.7Å; L1103-L1105 PolarHBondContact O-N 3.3Å; L1103-F1150 HydrophobicContact CD1-CD2 4.02Å; L1103-I1153 HydrophobicContact CD1-CD1 4.49Å; L1103-I1153 HydrophobicContact CD2-CD1 3.53Å |
| 1104 | P | 67.2 | Low | 78.2 | Confident | 87 Ų | 87 | 68.3 Ų | 68.3 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | trans | -77.9 | 68.3 | 177.4 | 34 | -36 | 0 | 0 | 0 | 111 | ||||
| 1105 | L | 71.4 | Confident | 78.2 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | trans | -89.7 | 159.9 | -175.8 | -62 | 173.1 | 0 | 0 | 0 | 112.2 | L1103 S1107 T1111 Y1114 D1146 I1149 | L1103-L1105 HydrophobicContact CB-CD1 3.93Å; L1103-L1105 HydrophobicContact CB-CD2 4.18Å; L1103-L1105 HydrophobicContact CB-CG 3.7Å; L1103-L1105 PolarHBondContact O-N 3.3Å; L1105-S1107 PolarHBondContact O-N 3.45Å; L1105-T1111 HydrophobicContact CB-CG2 3.75Å; L1105-T1111 HydrophobicContact CD1-CG2 3.72Å; L1105-T1111 HydrophobicContact CG-CG2 4.33Å; L1105-Y1114 HydrophobicContact CD1-CD2 4.31Å; L1105-D1146 HydrophobicContact CD2-CB 3.82Å; L1105-I1149 HydrophobicContact CD2-CG2 4.49Å | ||
| 1106 | S | 66.8 | Low | 78.3 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -65.5 | -26.5 | -163.9 | 61.5 | 0 | 0 | 0 | 0 | 116.4 | D1146 | S1106-D1146 VanDerWaalsContact CB-OD1 3.32Å; S1106-D1146 WeakPolarHBondContact CB-OD1 3.44Å; S1106-D1146 PolarHBondContact N-OD1 2.93Å; S1106-D1146 PolarHBondContact OG-OD1 2.88Å; S1106-D1146 PolarHBondContact OG-OD2 3.41Å |
| 1107 | S | 71.1 | Confident | 78.4 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | trans | -161.3 | 150.9 | 176.5 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | L1105 E1109 A1110 T1111 | L1105-S1107 PolarHBondContact O-N 3.45Å; S1107-E1109 VanDerWaalsContact C-N 3.33Å; S1107-E1109 PolarHBondContact O-N 3.05Å; S1107-A1110 WeakPolarHBondContact O-CB 3.32Å; S1107-A1110 PolarHBondContact O-N 2.87Å; S1107-A1110 VanDerWaalsContact O-N 3.13Å; S1107-A1110 VanDerWaalsContact OG-CB 3.25Å; S1107-A1110 WeakPolarHBondContact OG-CB 3.45Å; S1107-A1110 PolarHBondContact OG-N 3.44Å; S1107-T1111 PolarHBondContact O-N 3.15Å | ||
| 1108 | V | 75.3 | Confident | 78.4 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | A1110 T1111 E1112 | V1108-A1110 PolarHBondContact O-N 3.15Å; V1108-T1111 PolarHBondContact O-N 2.91Å; V1108-T1111 PolarHBondContact O-OG1 3.31Å; V1108-E1112 PolarHBondContact O-N 3.48Å |
| 1109 | E | 74.2 | Confident | 78.5 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 59% | 0.593 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.4 | -31.7 | 175.5 | -66.6 | -175.3 | -148.4 | 0 | 0 | 113.2 | S1107 R1113 | S1107-E1109 VanDerWaalsContact C-N 3.33Å; S1107-E1109 PolarHBondContact O-N 3.05Å; E1109-R1113 WeakPolarHBondContact O-CD 3.26Å; E1109-R1113 VanDerWaalsContact O-CG 3.24Å; E1109-R1113 WeakPolarHBondContact O-CG 3.29Å; E1109-R1113 PolarHBondContact O-N 3.08Å; E1109-R1113 PolarHBondContact O-NE 3.43Å; E1109-R1113 IonicContact OE2-CZ 2.92Å; E1109-R1113 IonicContact OE2-NH2 2.7Å; E1109-R1113 PolarHBondContact OE2-NH2 2.99Å |
| 1110 | A | 75.3 | Confident | 78.7 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -73.5 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1107 V1108 E1112 R1113 Y1114 | S1107-A1110 WeakPolarHBondContact O-CB 3.32Å; S1107-A1110 PolarHBondContact O-N 2.87Å; S1107-A1110 VanDerWaalsContact O-N 3.13Å; S1107-A1110 VanDerWaalsContact OG-CB 3.25Å; S1107-A1110 WeakPolarHBondContact OG-CB 3.45Å; S1107-A1110 PolarHBondContact OG-N 3.44Å; V1108-A1110 PolarHBondContact O-N 3.15Å; A1110-E1112 VanDerWaalsContact C-N 3.32Å; A1110-E1112 PolarHBondContact O-N 3.45Å; A1110-R1113 PolarHBondContact O-N 3.44Å; A1110-R1113 VanDerWaalsContact O-N 3.17Å; A1110-Y1114 HydrophobicContact CB-CD2 4.5Å; A1110-Y1114 HydrophobicContact CB-CE2 3.79Å; A1110-Y1114 WeakPolarHBondContact O-CD2 3.44Å; A1110-Y1114 PolarHBondContact O-N 3.46Å |
| 1111 | T | 79.2 | Confident | 78.9 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66 | -33.4 | 179.3 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | L1105 S1107 V1108 A1115 | L1105-T1111 HydrophobicContact CB-CG2 3.75Å; L1105-T1111 HydrophobicContact CD1-CG2 3.72Å; L1105-T1111 HydrophobicContact CG-CG2 4.33Å; S1107-T1111 PolarHBondContact O-N 3.15Å; V1108-T1111 PolarHBondContact O-N 2.91Å; V1108-T1111 PolarHBondContact O-OG1 3.31Å; T1111-A1115 VanDerWaalsContact O-CB 3.22Å; T1111-A1115 WeakPolarHBondContact O-CB 3.13Å; T1111-A1115 PolarHBondContact O-N 2.96Å |
| 1112 | E | 82.9 | Confident | 79.1 | Confident | 125 Ų | 125 | 71.5 Ų | 71.5 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.2 | -40.4 | 171.3 | -67.1 | -163.4 | 146.8 | 0 | 0 | 112.6 | V1108 A1110 A1115 N1116 | V1108-E1112 PolarHBondContact O-N 3.48Å; A1110-E1112 VanDerWaalsContact C-N 3.32Å; A1110-E1112 PolarHBondContact O-N 3.45Å; E1112-A1115 PolarHBondContact O-N 2.65Å; E1112-N1116 WeakPolarHBondContact O-CB 3.33Å; E1112-N1116 VanDerWaalsContact O-CG 3.23Å; E1112-N1116 PolarHBondContact O-N 3.18Å; E1112-N1116 PolarHBondContact O-ND2 3.22Å |
| 1113 | R | 84.1 | Confident | 79.5 | Confident | 152 Ų | 152 | 65.5 Ų | 65.5 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 175.1 | -66.5 | 168 | -153.8 | -169.5 | 7.1 | 111.2 | E1109 A1110 N1116 S1117 | E1109-R1113 WeakPolarHBondContact O-CD 3.26Å; E1109-R1113 VanDerWaalsContact O-CG 3.24Å; E1109-R1113 WeakPolarHBondContact O-CG 3.29Å; E1109-R1113 PolarHBondContact O-N 3.08Å; E1109-R1113 PolarHBondContact O-NE 3.43Å; E1109-R1113 IonicContact OE2-CZ 2.92Å; E1109-R1113 IonicContact OE2-NH2 2.7Å; E1109-R1113 PolarHBondContact OE2-NH2 2.99Å; A1110-R1113 PolarHBondContact O-N 3.44Å; A1110-R1113 VanDerWaalsContact O-N 3.17Å; R1113-N1116 PolarHBondContact O-N 2.93Å; R1113-S1117 PolarHBondContact O-N 2.94Å; R1113-S1117 PolarHBondContact O-OG 2.88Å |
| 1114 | Y | 86.5 | Confident | 80.1 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 7% | 0.071 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 178 | -52.5 | -30.3 | 0 | 0 | 0 | 112.2 | L1105 A1110 N1116 S1117 C1118 M1142 S1143 D1146 | L1105-Y1114 HydrophobicContact CD1-CD2 4.31Å; A1110-Y1114 HydrophobicContact CB-CD2 4.5Å; A1110-Y1114 HydrophobicContact CB-CE2 3.79Å; A1110-Y1114 WeakPolarHBondContact O-CD2 3.44Å; A1110-Y1114 PolarHBondContact O-N 3.46Å; Y1114-N1116 VanDerWaalsContact C-N 3.35Å; Y1114-S1117 PolarHBondContact O-N 3.43Å; Y1114-C1118 PolarHBondContact O-N 2.86Å; Y1114-M1142 HydrophobicContact CD1-CE 4.43Å; Y1114-M1142 HydrophobicContact CD1-CG 3.73Å; Y1114-M1142 HydrophobicContact CD2-CE 3.94Å; Y1114-M1142 HydrophobicContact CD2-CG 4.08Å; Y1114-M1142 HydrophobicContact CE1-CB 4.11Å; Y1114-M1142 HydrophobicContact CE1-CG 3.62Å; Y1114-M1142 HydrophobicContact CE2-CG 3.96Å; Y1114-M1142 HydrophobicContact CG-CE 3.85Å; Y1114-M1142 HydrophobicContact CG-CG 3.98Å; Y1114-S1143 PolarHBondContact OH-N 3.06Å; Y1114-D1146 HydrophobicContact CE2-CB 3.93Å; Y1114-D1146 PolarHBondContact OH-OD2 3.28Å |
| 1115 | A | 85 | Confident | 80.8 | Confident | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1097 T1111 E1112 C1118 H1119 | V1097-A1115 HydrophobicContact CG1-CB 3.81Å; V1097-A1115 HydrophobicContact CG2-CB 4.41Å; T1111-A1115 VanDerWaalsContact O-CB 3.22Å; T1111-A1115 WeakPolarHBondContact O-CB 3.13Å; T1111-A1115 PolarHBondContact O-N 2.96Å; E1112-A1115 PolarHBondContact O-N 2.65Å; A1115-C1118 PolarHBondContact O-N 3.49Å; A1115-H1119 PolarHBondContact O-N 3.36Å |
| 1116 | N | 84.5 | Confident | 81.4 | Confident | 114 Ų | 114 | 65.6 Ų | 65.6 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 175.6 | -69.4 | -22.1 | 0 | 0 | 0 | 111.4 | E1112 R1113 Y1114 H1119 S1120 | E1112-N1116 WeakPolarHBondContact O-CB 3.33Å; E1112-N1116 VanDerWaalsContact O-CG 3.23Å; E1112-N1116 PolarHBondContact O-N 3.18Å; E1112-N1116 PolarHBondContact O-ND2 3.22Å; R1113-N1116 PolarHBondContact O-N 2.93Å; Y1114-N1116 VanDerWaalsContact C-N 3.35Å; N1116-H1119 PolarHBondContact O-N 3.19Å; N1116-S1120 PolarHBondContact O-N 2.91Å; N1116-S1120 PolarHBondContact O-OG 3.31Å |
| 1117 | S | 85 | Confident | 82.2 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 173.4 | -69.2 | 0 | 0 | 0 | 0 | 112.9 | R1113 Y1114 H1119 S1120 A1121 | R1113-S1117 PolarHBondContact O-N 2.94Å; R1113-S1117 PolarHBondContact O-OG 2.88Å; Y1114-S1117 PolarHBondContact O-N 3.43Å; S1117-H1119 VanDerWaalsContact C-N 3.28Å; S1117-H1119 PolarHBondContact O-N 3.29Å; S1117-S1120 WeakPolarHBondContact CA-OG 3.35Å; S1117-S1120 PolarHBondContact O-N 3.37Å; S1117-S1120 PolarHBondContact O-OG 3.1Å; S1117-S1120 VanDerWaalsContact O-OG 3.08Å; S1117-A1121 WeakPolarHBondContact O-CB 3.46Å; S1117-A1121 PolarHBondContact O-N 3.31Å |
| 1118 | C | 84.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 175.1 | -83.2 | 0 | 0 | 0 | 0 | 113 | V1097 L1100 Y1114 A1115 N1122 I1123 | V1097-C1118 HydrophobicContact CG2-CB 4.05Å; L1100-C1118 HydrophobicContact CD1-CB 4.38Å; L1100-C1118 VanDerWaalsContact CD1-SG 3.51Å; Y1114-C1118 PolarHBondContact O-N 2.86Å; A1115-C1118 PolarHBondContact O-N 3.49Å; C1118-N1122 PolarHBondContact O-N 3.4Å; C1118-I1123 HydrophobicContact CB-CB 4.48Å; C1118-I1123 PolarHBondContact O-N 3.32Å |
| 1119 | H | 85.1 | Confident | 83.3 | Confident | 128 Ų | 128 | 57.6 Ų | 57.6 | 59% | 0.593 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -73.1 | -43.5 | 177.9 | -161.3 | 66.2 | 0 | 0 | 0 | 111.7 | A1115 N1116 S1117 A1121 N1122 | A1115-H1119 PolarHBondContact O-N 3.36Å; N1116-H1119 PolarHBondContact O-N 3.19Å; S1117-H1119 VanDerWaalsContact C-N 3.28Å; S1117-H1119 PolarHBondContact O-N 3.29Å; H1119-A1121 PolarHBondContact O-N 3.03Å; H1119-N1122 PolarHBondContact O-N 2.87Å |
| 1120 | S | 85.9 | Confident | 83.6 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.1 | -33.8 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | N1116 S1117 | N1116-S1120 PolarHBondContact O-N 2.91Å; N1116-S1120 PolarHBondContact O-OG 3.31Å; S1117-S1120 WeakPolarHBondContact CA-OG 3.35Å; S1117-S1120 PolarHBondContact O-N 3.37Å; S1117-S1120 PolarHBondContact O-OG 3.1Å; S1117-S1120 VanDerWaalsContact O-OG 3.08Å |
| 1121 | A | 83.4 | Confident | 83.9 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 31% | 0.314 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1117 H1119 I1123 E1139 | S1117-A1121 WeakPolarHBondContact O-CB 3.46Å; S1117-A1121 PolarHBondContact O-N 3.31Å; H1119-A1121 PolarHBondContact O-N 3.03Å; A1121-I1123 VanDerWaalsContact C-N 3.26Å; A1121-I1123 HydrophobicContact CB-CD1 3.9Å; A1121-I1123 HydrophobicContact CB-CG1 3.83Å; A1121-I1123 PolarHBondContact O-N 3.38Å; A1121-E1139 HydrophobicContact CB-CG 4.01Å |
| 1122 | N | 85.5 | Confident | 84 | Confident | 116 Ų | 116 | 63 Ų | 63 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.2 | 177.5 | -164.7 | 33.6 | 0 | 0 | 0 | 114.2 | T1093 C1118 H1119 S1124 | T1093-N1122 WeakPolarHBondContact CG2-OD1 3.26Å; C1118-N1122 PolarHBondContact O-N 3.4Å; H1119-N1122 PolarHBondContact O-N 2.87Å; N1122-S1124 PolarHBondContact O-N 3.02Å; N1122-S1124 VanDerWaalsContact O-N 3.1Å |
| 1123 | I | 84.6 | Confident | 83.9 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | trans | -75.9 | 102.9 | -170.7 | -61.9 | 173.4 | 0 | 0 | 0 | 110.2 | C1118 A1121 V1127 L1128 L1136 L1140 | C1118-I1123 HydrophobicContact CB-CB 4.48Å; C1118-I1123 PolarHBondContact O-N 3.32Å; A1121-I1123 VanDerWaalsContact C-N 3.26Å; A1121-I1123 HydrophobicContact CB-CD1 3.9Å; A1121-I1123 HydrophobicContact CB-CG1 3.83Å; A1121-I1123 PolarHBondContact O-N 3.38Å; I1123-V1127 HydrophobicContact CG2-CG1 4.42Å; I1123-L1128 HydrophobicContact CG2-CD1 4.44Å; I1123-L1128 HydrophobicContact CG2-CD2 3.76Å; I1123-L1128 HydrophobicContact CG2-CG 3.91Å; I1123-L1136 HydrophobicContact CD1-CD1 3.94Å; I1123-L1136 HydrophobicContact CG1-CD1 4.45Å; I1123-L1136 HydrophobicContact CG2-CD1 4.39Å; I1123-L1140 HydrophobicContact CD1-CD2 3.74Å; I1123-L1140 HydrophobicContact CD1-CG 4.18Å | ||
| 1124 | S | 85.3 | Confident | 83.5 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | trans | -97.4 | 171.5 | 177 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | N1122 L1126 V1127 L1128 | N1122-S1124 PolarHBondContact O-N 3.02Å; N1122-S1124 VanDerWaalsContact O-N 3.1Å; S1124-L1126 VanDerWaalsContact C-N 3.29Å; S1124-L1126 PolarHBondContact O-N 3.4Å; S1124-V1127 WeakPolarHBondContact O-CB 3.46Å; S1124-V1127 PolarHBondContact O-N 3.15Å; S1124-L1128 PolarHBondContact O-N 2.86Å | ||
| 1125 | G | 81.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.4 | -37 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1088 L1091 V1127 L1128 S1129 | L1088-G1125 CarbonylContact O-C 3.56Å; L1088-G1125 WeakPolarHBondContact O-CA 3.44Å; L1091-G1125 WeakPolarHBondContact O-CA 3.38Å; L1091-G1125 PolarHBondContact O-N 3.04Å; G1125-V1127 VanDerWaalsContact C-N 3.34Å; G1125-V1127 PolarHBondContact O-N 2.98Å; G1125-L1128 CarbonylContact O-C 3.55Å; G1125-L1128 PolarHBondContact O-N 2.89Å; G1125-L1128 VanDerWaalsContact O-N 3.14Å; G1125-S1129 PolarHBondContact O-N 3.18Å; G1125-S1129 PolarHBondContact O-OG 3.28Å |
| 1126 | L | 83 | Confident | 83 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 172.4 | -81.7 | 161.6 | 0 | 0 | 0 | 112.9 | S1089 S1124 S1129 L1130 | S1089-L1126 WeakPolarHBondContact O-CG 3.36Å; S1124-L1126 VanDerWaalsContact C-N 3.29Å; S1124-L1126 PolarHBondContact O-N 3.4Å; L1126-S1129 PolarHBondContact O-OG 3.06Å; L1126-S1129 VanDerWaalsContact O-OG 3.11Å; L1126-L1130 PolarHBondContact O-N 3.4Å |
| 1127 | V | 84.2 | Confident | 82.8 | Confident | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | I1123 S1124 G1125 S1129 L1130 C1131 L1136 | I1123-V1127 HydrophobicContact CG2-CG1 4.42Å; S1124-V1127 WeakPolarHBondContact O-CB 3.46Å; S1124-V1127 PolarHBondContact O-N 3.15Å; G1125-V1127 VanDerWaalsContact C-N 3.34Å; G1125-V1127 PolarHBondContact O-N 2.98Å; V1127-S1129 VanDerWaalsContact C-N 3.33Å; V1127-S1129 PolarHBondContact O-N 3.11Å; V1127-L1130 PolarHBondContact O-N 3.31Å; V1127-C1131 HydrophobicContact CG1-CB 4.06Å; V1127-C1131 WeakPolarHBondContact O-CB 3.35Å; V1127-C1131 PolarHBondContact O-N 3.2Å; V1127-L1136 HydrophobicContact CG1-CD1 4.48Å |
| 1128 | L | 85.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.5 | -18.6 | 179.6 | -65.3 | -177.9 | 0 | 0 | 0 | 114.6 | L1088 V1096 I1123 S1124 G1125 L1136 F1150 V1154 R1158 | L1088-L1128 HydrophobicContact CD1-CB 4.02Å; L1088-L1128 HydrophobicContact CD2-CB 4.42Å; L1088-L1128 WeakPolarHBondContact CD2-O 3.41Å; L1088-L1128 HydrophobicContact CG-CB 4.29Å; V1096-L1128 HydrophobicContact CG1-CD1 3.83Å; V1096-L1128 HydrophobicContact CG2-CD1 4.05Å; I1123-L1128 HydrophobicContact CG2-CD1 4.44Å; I1123-L1128 HydrophobicContact CG2-CD2 3.76Å; I1123-L1128 HydrophobicContact CG2-CG 3.91Å; S1124-L1128 PolarHBondContact O-N 2.86Å; G1125-L1128 CarbonylContact O-C 3.55Å; G1125-L1128 PolarHBondContact O-N 2.89Å; G1125-L1128 VanDerWaalsContact O-N 3.14Å; L1128-L1136 HydrophobicContact CD2-CD1 4.47Å; L1128-L1136 HydrophobicContact CD2-CD2 3.6Å; L1128-F1150 HydrophobicContact CD1-CZ 4.11Å; L1128-F1150 HydrophobicContact CD2-CE1 4.25Å; L1128-F1150 HydrophobicContact CD2-CZ 3.83Å; L1128-V1154 HydrophobicContact CB-CG1 4.5Å; L1128-V1154 WeakPolarHBondContact O-CG1 3.42Å; L1128-R1158 VanDerWaalsContact O-CZ 3.24Å; L1128-R1158 PolarHBondContact O-NE 3.2Å; L1128-R1158 PolarHBondContact O-NH2 3.34Å |
| 1129 | S | 83.6 | Confident | 82.3 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 21% | 0.21 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -83.7 | -36.3 | 171.2 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | G1125 L1126 V1127 R1158 | G1125-S1129 PolarHBondContact O-N 3.18Å; G1125-S1129 PolarHBondContact O-OG 3.28Å; L1126-S1129 PolarHBondContact O-OG 3.06Å; L1126-S1129 VanDerWaalsContact O-OG 3.11Å; V1127-S1129 VanDerWaalsContact C-N 3.33Å; V1127-S1129 PolarHBondContact O-N 3.11Å; S1129-R1158 PolarHBondContact O-NE 2.64Å |
| 1130 | L | 81.3 | Confident | 82 | Confident | 147 Ų | 147 | 62.1 Ų | 62.1 | 77% | 0.77 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -100.8 | -28.7 | -171.5 | -63.2 | 174.1 | 0 | 0 | 0 | 115.7 | L1126 V1127 | L1126-L1130 PolarHBondContact O-N 3.4Å; V1127-L1130 PolarHBondContact O-N 3.31Å |
| 1131 | C | 81.9 | Confident | 81.8 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -70.4 | 151.8 | -171.8 | -168 | 0 | 0 | 0 | 0 | 112.9 | V1127 T1135 R1158 | V1127-C1131 HydrophobicContact CG1-CB 4.06Å; V1127-C1131 WeakPolarHBondContact O-CB 3.35Å; V1127-C1131 PolarHBondContact O-N 3.2Å; C1131-T1135 PolarHBondContact SG-OG1 3.22Å; C1131-T1135 VanDerWaalsContact SG-OG1 3.4Å; C1131-R1158 PolarHBondContact O-NH1 2.84Å; C1131-R1158 PolarHBondContact O-NH2 3.18Å |
| 1132 | N | 80.5 | Confident | 81.7 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | trans | -71.4 | 132.4 | 163.2 | -171.7 | 10 | 0 | 0 | 0 | 109.3 | D1134 T1135 L1136 | N1132-D1134 PolarHBondContact ND2-OD2 2.99Å; N1132-D1134 PolarHBondContact O-N 3.34Å; N1132-D1134 PolarHBondContact OD1-N 3.37Å; N1132-D1134 PolarHBondContact OD1-OD2 3.38Å; N1132-T1135 PolarHBondContact O-N 3.29Å; N1132-T1135 PolarHBondContact O-OG1 3.22Å; N1132-L1136 PolarHBondContact O-N 3.1Å | ||
| 1133 | L | 81 | Confident | 81.4 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -30.4 | 178.5 | -68.9 | 174.3 | 0 | 0 | 0 | 111.7 | T1135 L1136 K1137 W1147 A1151 V1154 N1155 | L1133-T1135 VanDerWaalsContact C-N 3.3Å; L1133-T1135 PolarHBondContact O-N 3.38Å; L1133-L1136 HydrophobicContact CD2-CD2 4.25Å; L1133-L1136 WeakPolarHBondContact O-CB 3.17Å; L1133-L1136 PolarHBondContact O-N 3.22Å; L1133-K1137 PolarHBondContact O-N 3.24Å; L1133-W1147 HydrophobicContact CB-CH2 4.12Å; L1133-W1147 HydrophobicContact CB-CZ2 3.93Å; L1133-W1147 HydrophobicContact CD2-CH2 4.45Å; L1133-W1147 WeakPolarHBondContact O-CH2 3.33Å; L1133-W1147 VanDerWaalsContact O-CZ2 3.32Å; L1133-W1147 WeakPolarHBondContact O-CZ2 3.46Å; L1133-A1151 HydrophobicContact CD1-CB 4.17Å; L1133-V1154 HydrophobicContact CD2-CB 4.38Å; L1133-V1154 HydrophobicContact CD2-CG1 4Å; L1133-N1155 WeakPolarHBondContact CD1-OD1 3.21Å |
| 1134 | D | 76.1 | Confident | 81.1 | Confident | 102 Ų | 102 | 68.2 Ų | 68.2 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -31.9 | -179.6 | -56.1 | -48.8 | 0 | 0 | 0 | 113.7 | N1132 K1137 | N1132-D1134 PolarHBondContact ND2-OD2 2.99Å; N1132-D1134 PolarHBondContact O-N 3.34Å; N1132-D1134 PolarHBondContact OD1-N 3.37Å; N1132-D1134 PolarHBondContact OD1-OD2 3.38Å; D1134-K1137 WeakPolarHBondContact O-CB 3.48Å |
| 1135 | T | 78.6 | Confident | 80.5 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -76.9 | -41.2 | 175.3 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | C1131 N1132 L1133 K1137 Q1138 | C1131-T1135 PolarHBondContact SG-OG1 3.22Å; C1131-T1135 VanDerWaalsContact SG-OG1 3.4Å; N1132-T1135 PolarHBondContact O-N 3.29Å; N1132-T1135 PolarHBondContact O-OG1 3.22Å; L1133-T1135 VanDerWaalsContact C-N 3.3Å; L1133-T1135 PolarHBondContact O-N 3.38Å; T1135-K1137 PolarHBondContact O-N 3.1Å; T1135-Q1138 PolarHBondContact O-N 3.46Å; T1135-Q1138 VanDerWaalsContact O-N 3.12Å |
| 1136 | L | 81.8 | Confident | 80.5 | Confident | 10 Ų | 10 | 69 Ų | 69 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.9 | -30.4 | 176 | -156.9 | 85.8 | 0 | 0 | 0 | 112.7 | I1123 V1127 L1128 N1132 L1133 Q1138 E1139 L1140 W1147 F1150 | I1123-L1136 HydrophobicContact CD1-CD1 3.94Å; I1123-L1136 HydrophobicContact CG1-CD1 4.45Å; I1123-L1136 HydrophobicContact CG2-CD1 4.39Å; V1127-L1136 HydrophobicContact CG1-CD1 4.48Å; L1128-L1136 HydrophobicContact CD2-CD1 4.47Å; L1128-L1136 HydrophobicContact CD2-CD2 3.6Å; N1132-L1136 PolarHBondContact O-N 3.1Å; L1133-L1136 HydrophobicContact CD2-CD2 4.25Å; L1133-L1136 WeakPolarHBondContact O-CB 3.17Å; L1133-L1136 PolarHBondContact O-N 3.22Å; L1136-Q1138 VanDerWaalsContact C-N 3.3Å; L1136-Q1138 PolarHBondContact O-N 3.29Å; L1136-E1139 PolarHBondContact O-N 3.48Å; L1136-L1140 HydrophobicContact CD2-CD1 3.67Å; L1136-L1140 HydrophobicContact CG-CD1 3.78Å; L1136-L1140 HydrophobicContact CG-CG 4.3Å; L1136-L1140 PolarHBondContact O-N 3.48Å; L1136-W1147 HydrophobicContact CB-CH2 4.25Å; L1136-W1147 HydrophobicContact CD2-CH2 4.47Å; L1136-F1150 HydrophobicContact CD2-CE1 3.7Å; L1136-F1150 HydrophobicContact CD2-CZ 4.32Å |
| 1137 | K | 81.6 | Confident | 80.6 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.5 | -36.2 | 176.4 | -163.9 | 167.9 | -169.6 | 156.3 | 0 | 112.9 | L1133 D1134 T1135 R1141 W1147 E1148 | L1133-K1137 PolarHBondContact O-N 3.24Å; D1134-K1137 WeakPolarHBondContact O-CB 3.48Å; T1135-K1137 PolarHBondContact O-N 3.1Å; K1137-R1141 PolarHBondContact O-N 3.25Å; K1137-W1147 HydrophobicContact CB-CD2 4.28Å; K1137-W1147 HydrophobicContact CB-CE3 4.27Å; K1137-W1147 HydrophobicContact CB-CH2 3.76Å; K1137-W1147 HydrophobicContact CB-CZ2 3.75Å; K1137-W1147 HydrophobicContact CB-CZ3 4.02Å; K1137-W1147 HydrophobicContact CD-CD2 4.04Å; K1137-W1147 HydrophobicContact CD-CG 4.29Å; K1137-W1147 HydrophobicContact CD-CZ2 4.03Å; K1137-W1147 VanDerWaalsContact CE-CD1 3.42Å; K1137-W1147 HydrophobicContact CG-CD2 3.77Å; K1137-W1147 HydrophobicContact CG-CE3 4.09Å; K1137-W1147 HydrophobicContact CG-CG 4.29Å; K1137-W1147 HydrophobicContact CG-CH2 4.33Å; K1137-W1147 HydrophobicContact CG-CZ2 4.01Å; K1137-W1147 HydrophobicContact CG-CZ3 4.36Å; K1137-W1147 VanDerWaalsContact NZ-NE1 3.19Å; K1137-E1148 IonicContact NZ-OE1 2.78Å; K1137-E1148 PolarHBondContact NZ-OE1 3.45Å |
| 1138 | Q | 79.5 | Confident | 80.4 | Confident | 150 Ų | 150 | 64.3 Ų | 64.3 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -72.1 | -36.2 | 179.9 | -56.4 | -172.3 | 9 | 0 | 0 | 112 | T1135 L1136 R1141 | T1135-Q1138 PolarHBondContact O-N 3.46Å; T1135-Q1138 VanDerWaalsContact O-N 3.12Å; L1136-Q1138 VanDerWaalsContact C-N 3.3Å; L1136-Q1138 PolarHBondContact O-N 3.29Å; Q1138-R1141 VanDerWaalsContact O-CG 3.24Å; Q1138-R1141 WeakPolarHBondContact O-CG 3.38Å |
| 1139 | E | 78.6 | Confident | 80.1 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -80.5 | -41.1 | -176 | -153.7 | 64.3 | -170 | 0 | 0 | 112.4 | A1121 L1136 | A1121-E1139 HydrophobicContact CB-CG 4.01Å; L1136-E1139 PolarHBondContact O-N 3.48Å |
| 1140 | L | 79.3 | Confident | 80.1 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -78.9 | -23 | -178.8 | -70.5 | 176.5 | 0 | 0 | 0 | 114.2 | I1123 L1136 M1142 W1147 F1150 | I1123-L1140 HydrophobicContact CD1-CD2 3.74Å; I1123-L1140 HydrophobicContact CD1-CG 4.18Å; L1136-L1140 HydrophobicContact CD2-CD1 3.67Å; L1136-L1140 HydrophobicContact CG-CD1 3.78Å; L1136-L1140 HydrophobicContact CG-CG 4.3Å; L1136-L1140 PolarHBondContact O-N 3.48Å; L1140-M1142 HydrophobicContact CB-CE 4.35Å; L1140-M1142 HydrophobicContact CB-CG 4.13Å; L1140-M1142 HydrophobicContact CB-SD 4.34Å; L1140-M1142 HydrophobicContact CD1-CE 3.96Å; L1140-M1142 HydrophobicContact CD1-SD 4.28Å; L1140-M1142 PolarHBondContact O-N 2.97Å; L1140-M1142 VanDerWaalsContact O-N 3.09Å; L1140-W1147 HydrophobicContact CD1-CZ3 4.31Å; L1140-F1150 HydrophobicContact CD1-CE1 4.14Å; L1140-F1150 HydrophobicContact CD1-CZ 4.42Å |
| 1141 | R | 80.8 | Confident | 80.2 | Confident | 208 Ų | 208 | 58.8 Ų | 58.8 | 79% | 0.785 | 30% | 0.298 | S | S | * | . | trans | 49.6 | 36.3 | 177.1 | -57 | -175.3 | 179.9 | -175.7 | 1.1 | 114.2 | K1137 Q1138 | K1137-R1141 PolarHBondContact O-N 3.25Å; Q1138-R1141 VanDerWaalsContact O-CG 3.24Å; Q1138-R1141 WeakPolarHBondContact O-CG 3.38Å | ||
| 1142 | M | 81.1 | Confident | 80.1 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | trans | -66.9 | 151.6 | -179.7 | -74.9 | 173.6 | 172.6 | 0 | 0 | 112.6 | L1100 Y1114 L1140 D1146 W1147 F1150 | L1100-M1142 HydrophobicContact CD2-CE 3.86Å; Y1114-M1142 HydrophobicContact CD1-CE 4.43Å; Y1114-M1142 HydrophobicContact CD1-CG 3.73Å; Y1114-M1142 HydrophobicContact CD2-CE 3.94Å; Y1114-M1142 HydrophobicContact CD2-CG 4.08Å; Y1114-M1142 HydrophobicContact CE1-CB 4.11Å; Y1114-M1142 HydrophobicContact CE1-CG 3.62Å; Y1114-M1142 HydrophobicContact CE2-CG 3.96Å; Y1114-M1142 HydrophobicContact CG-CE 3.85Å; Y1114-M1142 HydrophobicContact CG-CG 3.98Å; L1140-M1142 HydrophobicContact CB-CE 4.35Å; L1140-M1142 HydrophobicContact CB-CG 4.13Å; L1140-M1142 HydrophobicContact CB-SD 4.34Å; L1140-M1142 HydrophobicContact CD1-CE 3.96Å; L1140-M1142 HydrophobicContact CD1-SD 4.28Å; L1140-M1142 PolarHBondContact O-N 2.97Å; L1140-M1142 VanDerWaalsContact O-N 3.09Å; M1142-D1146 HydrophobicContact CB-CB 4.3Å; M1142-W1147 HydrophobicContact CB-CB 3.96Å; M1142-W1147 HydrophobicContact CB-CE3 4.39Å; M1142-W1147 HydrophobicContact SD-CE3 3.99Å; M1142-F1150 HydrophobicContact CE-CD2 4.36Å; M1142-F1150 HydrophobicContact CE-CG 4.35Å; M1142-F1150 HydrophobicContact SD-CB 4.13Å; M1142-F1150 HydrophobicContact SD-CD1 4.44Å; M1142-F1150 HydrophobicContact SD-CG 4.21Å | ||
| 1143 | S | 80.9 | Confident | 80.1 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | trans | -64.1 | 153.6 | 166.4 | 87.9 | 0 | 0 | 0 | 0 | 110.3 | Y1114 G1145 D1146 W1147 | Y1114-S1143 PolarHBondContact OH-N 3.06Å; S1143-G1145 VanDerWaalsContact C-N 3.33Å; S1143-G1145 PolarHBondContact O-N 2.9Å; S1143-D1146 WeakPolarHBondContact CB-OD2 3.46Å; S1143-D1146 PolarHBondContact O-N 2.9Å; S1143-D1146 VanDerWaalsContact O-N 3.14Å; S1143-D1146 PolarHBondContact OG-N 3.2Å; S1143-D1146 PolarHBondContact OG-OD2 3.47Å; S1143-W1147 WeakPolarHBondContact O-CB 3.37Å; S1143-W1147 PolarHBondContact O-N 3.32Å | ||
| 1144 | F | 77.4 | Confident | 80.2 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.2 | -46.8 | -176.5 | 175.1 | -108.1 | 0 | 0 | 0 | 112.9 | W1147 E1148 | F1144-W1147 PolarHBondContact O-N 3.24Å; F1144-E1148 HydrophobicContact CD2-CG 4.12Å; F1144-E1148 HydrophobicContact CE1-CG 4.47Å; F1144-E1148 HydrophobicContact CE2-CG 3.66Å; F1144-E1148 VanDerWaalsContact CE2-OE1 3.3Å; F1144-E1148 WeakPolarHBondContact CE2-OE1 3.21Å; F1144-E1148 HydrophobicContact CZ-CG 3.85Å; F1144-E1148 WeakPolarHBondContact O-CG 3.3Å; F1144-E1148 PolarHBondContact O-N 2.81Å |
| 1145 | G | 73 | Confident | 80.5 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1143 W1147 I1149 | S1143-G1145 VanDerWaalsContact C-N 3.33Å; S1143-G1145 PolarHBondContact O-N 2.9Å; G1145-W1147 VanDerWaalsContact C-N 3.32Å; G1145-I1149 WeakPolarHBondContact O-CD1 3.33Å; G1145-I1149 VanDerWaalsContact O-CG1 3.25Å; G1145-I1149 WeakPolarHBondContact O-CG1 3.21Å; G1145-I1149 PolarHBondContact O-N 3.23Å |
| 1146 | D | 80.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 175 | -63.3 | -40.5 | 0 | 0 | 0 | 111.1 | L1105 S1106 Y1114 M1142 S1143 F1150 | L1105-D1146 HydrophobicContact CD2-CB 3.82Å; S1106-D1146 VanDerWaalsContact CB-OD1 3.32Å; S1106-D1146 WeakPolarHBondContact CB-OD1 3.44Å; S1106-D1146 PolarHBondContact N-OD1 2.93Å; S1106-D1146 PolarHBondContact OG-OD1 2.88Å; S1106-D1146 PolarHBondContact OG-OD2 3.41Å; Y1114-D1146 HydrophobicContact CE2-CB 3.93Å; Y1114-D1146 PolarHBondContact OH-OD2 3.28Å; M1142-D1146 HydrophobicContact CB-CB 4.3Å; S1143-D1146 WeakPolarHBondContact CB-OD2 3.46Å; S1143-D1146 PolarHBondContact O-N 2.9Å; S1143-D1146 VanDerWaalsContact O-N 3.14Å; S1143-D1146 PolarHBondContact OG-N 3.2Å; S1143-D1146 PolarHBondContact OG-OD2 3.47Å; D1146-F1150 WeakPolarHBondContact O-CB 3.46Å; D1146-F1150 PolarHBondContact O-N 3.21Å |
| 1147 | W | 84.8 | Confident | 80.4 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -50 | -179 | 174.4 | -94.5 | 0 | 0 | 0 | 112.4 | L1133 L1136 K1137 L1140 M1142 S1143 F1144 G1145 I1149 F1150 A1151 | L1133-W1147 HydrophobicContact CB-CH2 4.12Å; L1133-W1147 HydrophobicContact CB-CZ2 3.93Å; L1133-W1147 HydrophobicContact CD2-CH2 4.45Å; L1133-W1147 WeakPolarHBondContact O-CH2 3.33Å; L1133-W1147 VanDerWaalsContact O-CZ2 3.32Å; L1133-W1147 WeakPolarHBondContact O-CZ2 3.46Å; L1136-W1147 HydrophobicContact CB-CH2 4.25Å; L1136-W1147 HydrophobicContact CD2-CH2 4.47Å; K1137-W1147 HydrophobicContact CB-CD2 4.28Å; K1137-W1147 HydrophobicContact CB-CE3 4.27Å; K1137-W1147 HydrophobicContact CB-CH2 3.76Å; K1137-W1147 HydrophobicContact CB-CZ2 3.75Å; K1137-W1147 HydrophobicContact CB-CZ3 4.02Å; K1137-W1147 HydrophobicContact CD-CD2 4.04Å; K1137-W1147 HydrophobicContact CD-CG 4.29Å; K1137-W1147 HydrophobicContact CD-CZ2 4.03Å; K1137-W1147 VanDerWaalsContact CE-CD1 3.42Å; K1137-W1147 HydrophobicContact CG-CD2 3.77Å; K1137-W1147 HydrophobicContact CG-CE3 4.09Å; K1137-W1147 HydrophobicContact CG-CG 4.29Å; K1137-W1147 HydrophobicContact CG-CH2 4.33Å; K1137-W1147 HydrophobicContact CG-CZ2 4.01Å; K1137-W1147 HydrophobicContact CG-CZ3 4.36Å; K1137-W1147 VanDerWaalsContact NZ-NE1 3.19Å; L1140-W1147 HydrophobicContact CD1-CZ3 4.31Å; M1142-W1147 HydrophobicContact CB-CB 3.96Å; M1142-W1147 HydrophobicContact CB-CE3 4.39Å; M1142-W1147 HydrophobicContact SD-CE3 3.99Å; S1143-W1147 WeakPolarHBondContact O-CB 3.37Å; S1143-W1147 PolarHBondContact O-N 3.32Å; F1144-W1147 PolarHBondContact O-N 3.24Å; G1145-W1147 VanDerWaalsContact C-N 3.32Å; W1147-I1149 VanDerWaalsContact C-N 3.3Å; W1147-I1149 PolarHBondContact O-N 3.1Å; W1147-F1150 HydrophobicContact CE3-CD1 4.49Å; W1147-F1150 HydrophobicContact CZ3-CD1 4.14Å; W1147-F1150 PolarHBondContact O-N 2.96Å; W1147-F1150 VanDerWaalsContact O-N 3.13Å; W1147-A1151 HydrophobicContact CZ2-CB 4.35Å; W1147-A1151 WeakPolarHBondContact O-CB 3.41Å; W1147-A1151 PolarHBondContact O-N 2.9Å |
| 1148 | E | 79.8 | Confident | 80.6 | Confident | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.229 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.9 | -33 | -178.9 | -57.7 | -48.5 | 151 | 0 | 0 | 111.6 | K1137 F1144 L1152 | K1137-E1148 IonicContact NZ-OE1 2.78Å; K1137-E1148 PolarHBondContact NZ-OE1 3.45Å; F1144-E1148 HydrophobicContact CD2-CG 4.12Å; F1144-E1148 HydrophobicContact CE1-CG 4.47Å; F1144-E1148 HydrophobicContact CE2-CG 3.66Å; F1144-E1148 VanDerWaalsContact CE2-OE1 3.3Å; F1144-E1148 WeakPolarHBondContact CE2-OE1 3.21Å; F1144-E1148 HydrophobicContact CZ-CG 3.85Å; F1144-E1148 WeakPolarHBondContact O-CG 3.3Å; F1144-E1148 PolarHBondContact O-N 2.81Å; E1148-L1152 VanDerWaalsContact O-CB 3.26Å; E1148-L1152 WeakPolarHBondContact O-CB 3.38Å; E1148-L1152 WeakPolarHBondContact O-CD1 3.07Å; E1148-L1152 WeakPolarHBondContact O-CG 3.47Å; E1148-L1152 PolarHBondContact O-N 2.76Å |
| 1149 | I | 79.3 | Confident | 80.4 | Confident | 54 Ų | 54 | 50 Ų | 50 | 28% | 0.277 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 170.4 | -68.8 | 168.9 | 0 | 0 | 0 | 110.9 | L1105 G1145 W1147 I1153 | L1105-I1149 HydrophobicContact CD2-CG2 4.49Å; G1145-I1149 WeakPolarHBondContact O-CD1 3.33Å; G1145-I1149 VanDerWaalsContact O-CG1 3.25Å; G1145-I1149 WeakPolarHBondContact O-CG1 3.21Å; G1145-I1149 PolarHBondContact O-N 3.23Å; W1147-I1149 VanDerWaalsContact C-N 3.3Å; W1147-I1149 PolarHBondContact O-N 3.1Å; I1149-I1153 HydrophobicContact CG2-CD1 4.03Å; I1149-I1153 WeakPolarHBondContact O-CD1 3.46Å; I1149-I1153 VanDerWaalsContact O-CG1 3.26Å; I1149-I1153 WeakPolarHBondContact O-CG1 3.29Å; I1149-I1153 PolarHBondContact O-N 3.08Å |
| 1150 | F | 84 | Confident | 80.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 178.4 | -179 | -98.2 | 0 | 0 | 0 | 112.1 | L1100 L1103 L1128 L1136 L1140 M1142 D1146 W1147 L1152 I1153 V1154 | L1100-F1150 HydrophobicContact CD2-CD2 3.57Å; L1100-F1150 HydrophobicContact CD2-CE2 3.61Å; L1100-F1150 HydrophobicContact CG-CE2 4.48Å; L1103-F1150 HydrophobicContact CD1-CD2 4.02Å; L1128-F1150 HydrophobicContact CD1-CZ 4.11Å; L1128-F1150 HydrophobicContact CD2-CE1 4.25Å; L1128-F1150 HydrophobicContact CD2-CZ 3.83Å; L1136-F1150 HydrophobicContact CD2-CE1 3.7Å; L1136-F1150 HydrophobicContact CD2-CZ 4.32Å; L1140-F1150 HydrophobicContact CD1-CE1 4.14Å; L1140-F1150 HydrophobicContact CD1-CZ 4.42Å; M1142-F1150 HydrophobicContact CE-CD2 4.36Å; M1142-F1150 HydrophobicContact CE-CG 4.35Å; M1142-F1150 HydrophobicContact SD-CB 4.13Å; M1142-F1150 HydrophobicContact SD-CD1 4.44Å; M1142-F1150 HydrophobicContact SD-CG 4.21Å; D1146-F1150 WeakPolarHBondContact O-CB 3.46Å; D1146-F1150 PolarHBondContact O-N 3.21Å; W1147-F1150 HydrophobicContact CE3-CD1 4.49Å; W1147-F1150 HydrophobicContact CZ3-CD1 4.14Å; W1147-F1150 PolarHBondContact O-N 2.96Å; W1147-F1150 VanDerWaalsContact O-N 3.13Å; F1150-L1152 PolarHBondContact O-N 2.99Å; F1150-I1153 PolarHBondContact O-N 3.13Å; F1150-V1154 HydrophobicContact CD1-CG2 4.25Å; F1150-V1154 HydrophobicContact CE1-CG2 3.81Å; F1150-V1154 HydrophobicContact CE2-CG2 4.16Å; F1150-V1154 HydrophobicContact CZ-CG2 3.76Å; F1150-V1154 WeakPolarHBondContact O-CG2 3.25Å; F1150-V1154 PolarHBondContact O-N 3.14Å |
| 1151 | A | 83.6 | Confident | 80 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1133 W1147 I1153 V1154 N1155 | L1133-A1151 HydrophobicContact CD1-CB 4.17Å; W1147-A1151 HydrophobicContact CZ2-CB 4.35Å; W1147-A1151 WeakPolarHBondContact O-CB 3.41Å; W1147-A1151 PolarHBondContact O-N 2.9Å; A1151-I1153 VanDerWaalsContact C-N 3.3Å; A1151-I1153 PolarHBondContact O-N 3.08Å; A1151-V1154 PolarHBondContact O-N 2.91Å; A1151-N1155 WeakPolarHBondContact O-CB 3.39Å; A1151-N1155 PolarHBondContact O-N 3Å; A1151-N1155 PolarHBondContact O-ND2 3.08Å |
| 1152 | L | 79.9 | Confident | 79.6 | Confident | 91 Ų | 91 | 41.5 Ų | 41.5 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.7 | -41.2 | 174.9 | -80.6 | 168.8 | 0 | 0 | 0 | 112.3 | E1148 F1150 H1156 | E1148-L1152 VanDerWaalsContact O-CB 3.26Å; E1148-L1152 WeakPolarHBondContact O-CB 3.38Å; E1148-L1152 WeakPolarHBondContact O-CD1 3.07Å; E1148-L1152 WeakPolarHBondContact O-CG 3.47Å; E1148-L1152 PolarHBondContact O-N 2.76Å; F1150-L1152 PolarHBondContact O-N 2.99Å; L1152-H1156 WeakPolarHBondContact O-CB 3.26Å; L1152-H1156 PolarHBondContact O-N 2.94Å |
| 1153 | I | 79.3 | Confident | 78.9 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -77.6 | -39.7 | -177.5 | -57.1 | 165.3 | 0 | 0 | 0 | 111.3 | F1078 F1099 L1103 I1149 F1150 A1151 H1156 L1157 | F1078-I1153 HydrophobicContact CE1-CB 4.44Å; F1078-I1153 HydrophobicContact CE1-CG1 3.97Å; F1099-I1153 HydrophobicContact CE2-CG2 4.46Å; F1099-I1153 HydrophobicContact CZ-CG2 3.7Å; L1103-I1153 HydrophobicContact CD1-CD1 4.49Å; L1103-I1153 HydrophobicContact CD2-CD1 3.53Å; I1149-I1153 HydrophobicContact CG2-CD1 4.03Å; I1149-I1153 WeakPolarHBondContact O-CD1 3.46Å; I1149-I1153 VanDerWaalsContact O-CG1 3.26Å; I1149-I1153 WeakPolarHBondContact O-CG1 3.29Å; I1149-I1153 PolarHBondContact O-N 3.08Å; F1150-I1153 PolarHBondContact O-N 3.13Å; A1151-I1153 VanDerWaalsContact C-N 3.3Å; A1151-I1153 PolarHBondContact O-N 3.08Å; I1153-H1156 PolarHBondContact O-N 3.24Å; I1153-L1157 HydrophobicContact CG2-CD1 4.22Å; I1153-L1157 WeakPolarHBondContact O-CG 3.44Å; I1153-L1157 PolarHBondContact O-N 3.21Å |
| 1154 | V | 84 | Confident | 78.2 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L1088 L1128 L1133 F1150 A1151 H1156 L1157 R1158 | L1088-V1154 HydrophobicContact CD2-CG1 4.24Å; L1128-V1154 HydrophobicContact CB-CG1 4.5Å; L1128-V1154 WeakPolarHBondContact O-CG1 3.42Å; L1133-V1154 HydrophobicContact CD2-CB 4.38Å; L1133-V1154 HydrophobicContact CD2-CG1 4Å; F1150-V1154 HydrophobicContact CD1-CG2 4.25Å; F1150-V1154 HydrophobicContact CE1-CG2 3.81Å; F1150-V1154 HydrophobicContact CE2-CG2 4.16Å; F1150-V1154 HydrophobicContact CZ-CG2 3.76Å; F1150-V1154 WeakPolarHBondContact O-CG2 3.25Å; F1150-V1154 PolarHBondContact O-N 3.14Å; A1151-V1154 PolarHBondContact O-N 2.91Å; V1154-H1156 PolarHBondContact O-N 2.74Å; V1154-L1157 PolarHBondContact O-N 3.31Å; V1154-R1158 HydrophobicContact CG1-CG 4.49Å; V1154-R1158 WeakPolarHBondContact O-CG 3.42Å; V1154-R1158 PolarHBondContact O-N 3.41Å |
| 1155 | N | 82.8 | Confident | 77.3 | Confident | 81 Ų | 81 | 44 Ų | 44 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -38 | 176.4 | -76.8 | -29.8 | 0 | 0 | 0 | 112.7 | L1133 A1151 R1158 A1159 | L1133-N1155 WeakPolarHBondContact CD1-OD1 3.21Å; A1151-N1155 WeakPolarHBondContact O-CB 3.39Å; A1151-N1155 PolarHBondContact O-N 3Å; A1151-N1155 PolarHBondContact O-ND2 3.08Å; N1155-R1158 PolarHBondContact O-N 2.81Å; N1155-A1159 WeakPolarHBondContact O-CB 3.34Å; N1155-A1159 PolarHBondContact O-N 2.97Å |
| 1156 | H | 77.7 | Confident | 76.4 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 29% | 0.292 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.2 | -177 | 74.4 | 0 | 0 | 0 | 112.2 | F1078 L1152 I1153 V1154 R1160 | F1078-H1156 HydrophobicContact CD1-CB 3.93Å; F1078-H1156 AromaticContact CD1-CD2 3.49Å; F1078-H1156 VanDerWaalsContact CD1-CD2 3.49Å; F1078-H1156 WeakPolarHBondContact CD1-CD2 3.15Å; F1078-H1156 AromaticContact CD1-CG 3.53Å; F1078-H1156 AromaticContact CD2-ND1 3.75Å; F1078-H1156 HydrophobicContact CE1-CB 3.5Å; F1078-H1156 AromaticContact CE1-CG 3.65Å; F1078-H1156 HydrophobicContact CE2-CB 4.25Å; F1078-H1156 HydrophobicContact CG-CB 4.48Å; F1078-H1156 AromaticContact CG-CD2 3.76Å; F1078-H1156 AromaticContact CG-CE1 3.82Å; F1078-H1156 AromaticContact CG-CG 3.74Å; F1078-H1156 AromaticContact CG-ND1 3.77Å; F1078-H1156 AromaticContact CG-NE2 3.81Å; F1078-H1156 HydrophobicContact CZ-CB 3.68Å; F1078-H1156 AromaticContact CZ-CG 3.95Å; L1152-H1156 WeakPolarHBondContact O-CB 3.26Å; L1152-H1156 PolarHBondContact O-N 2.94Å; I1153-H1156 PolarHBondContact O-N 3.24Å; V1154-H1156 PolarHBondContact O-N 2.74Å; H1156-R1160 VanDerWaalsContact O-CB 3.28Å; H1156-R1160 WeakPolarHBondContact O-CB 3.48Å; H1156-R1160 PolarHBondContact O-N 2.61Å |
| 1157 | L | 80 | Confident | 74.6 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | 177.1 | -70 | 172.5 | 0 | 0 | 0 | 112.2 | V1086 L1088 F1099 I1153 V1154 R1160 E1161 | V1086-L1157 HydrophobicContact CB-CD2 4.45Å; V1086-L1157 HydrophobicContact CG1-CD1 4.48Å; L1088-L1157 HydrophobicContact CB-CB 4.32Å; L1088-L1157 HydrophobicContact CD1-CB 4.36Å; L1088-L1157 HydrophobicContact CD1-CD1 4.09Å; L1088-L1157 HydrophobicContact CD2-CB 4.19Å; F1099-L1157 HydrophobicContact CE2-CD1 3.88Å; F1099-L1157 HydrophobicContact CZ-CD1 3.84Å; I1153-L1157 HydrophobicContact CG2-CD1 4.22Å; I1153-L1157 WeakPolarHBondContact O-CG 3.44Å; I1153-L1157 PolarHBondContact O-N 3.21Å; V1154-L1157 PolarHBondContact O-N 3.31Å; L1157-R1160 PolarHBondContact O-N 2.98Å; L1157-E1161 WeakPolarHBondContact O-CB 3.47Å; L1157-E1161 PolarHBondContact O-N 2.88Å |
| 1158 | R | 85.6 | Confident | 72.6 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 23% | 0.226 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -52.6 | 172.9 | -73 | 177.4 | -175.3 | -162.7 | -1.2 | 112.2 | L1088 L1128 S1129 C1131 V1154 N1155 R1160 E1161 A1162 | L1088-R1158 HydrophobicContact CD2-CG 3.76Å; L1128-R1158 VanDerWaalsContact O-CZ 3.24Å; L1128-R1158 PolarHBondContact O-NE 3.2Å; L1128-R1158 PolarHBondContact O-NH2 3.34Å; S1129-R1158 PolarHBondContact O-NE 2.64Å; C1131-R1158 PolarHBondContact O-NH1 2.84Å; C1131-R1158 PolarHBondContact O-NH2 3.18Å; V1154-R1158 HydrophobicContact CG1-CG 4.49Å; V1154-R1158 WeakPolarHBondContact O-CG 3.42Å; V1154-R1158 PolarHBondContact O-N 3.41Å; N1155-R1158 PolarHBondContact O-N 2.81Å; R1158-R1160 PolarHBondContact O-N 3.42Å; R1158-E1161 PolarHBondContact O-N 3.48Å; R1158-A1162 PolarHBondContact O-N 3.32Å |
| 1159 | A | 75.6 | Confident | 70.7 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1155 S1163 | N1155-A1159 WeakPolarHBondContact O-CB 3.34Å; N1155-A1159 PolarHBondContact O-N 2.97Å; A1159-S1163 PolarHBondContact O-N 3.12Å |
| 1160 | R | 72.3 | Confident | 68.5 | Low | 76 Ų | 76 | 64.5 Ų | 64.5 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 175.4 | -173.3 | 169.9 | -177.8 | -110.3 | -6.7 | 112.9 | W1083 Q1084 H1156 L1157 R1158 S1163 L1164 | W1083-R1160 PolarHBondContact O-NH1 3.1Å; Q1084-R1160 VanDerWaalsContact C-NH1 3.32Å; Q1084-R1160 PolarHBondContact O-NH1 3.29Å; Q1084-R1160 PolarHBondContact O-NH2 2.88Å; H1156-R1160 VanDerWaalsContact O-CB 3.28Å; H1156-R1160 WeakPolarHBondContact O-CB 3.48Å; H1156-R1160 PolarHBondContact O-N 2.61Å; L1157-R1160 PolarHBondContact O-N 2.98Å; R1158-R1160 PolarHBondContact O-N 3.42Å; R1160-S1163 WeakPolarHBondContact CA-OG 3.12Å; R1160-S1163 PolarHBondContact O-N 3.03Å; R1160-S1163 PolarHBondContact O-OG 3.39Å; R1160-L1164 WeakPolarHBondContact O-CG 3.38Å; R1160-L1164 PolarHBondContact O-N 2.89Å; R1160-L1164 VanDerWaalsContact O-N 3.17Å |
| 1161 | E | 77.3 | Confident | 65.9 | Low | 27 Ų | 27 | 69.3 Ų | 69.3 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 177.9 | -169.4 | 162.6 | 159.3 | 0 | 0 | 111.8 | L1088 S1089 L1157 R1158 S1163 L1164 Q1165 | L1088-E1161 WeakPolarHBondContact CA-OE2 3.4Å; L1088-E1161 VanDerWaalsContact CB-OE2 3.31Å; L1088-E1161 WeakPolarHBondContact CB-OE2 3.38Å; L1088-E1161 PolarHBondContact N-OE2 3.18Å; S1089-E1161 WeakPolarHBondContact CB-OE1 3.49Å; S1089-E1161 PolarHBondContact N-OE2 2.81Å; S1089-E1161 VanDerWaalsContact N-OE2 3.1Å; S1089-E1161 PolarHBondContact OG-OE1 2.66Å; L1157-E1161 WeakPolarHBondContact O-CB 3.47Å; L1157-E1161 PolarHBondContact O-N 2.88Å; R1158-E1161 PolarHBondContact O-N 3.48Å; E1161-S1163 PolarHBondContact O-N 3.37Å; E1161-L1164 PolarHBondContact O-N 2.68Å; E1161-L1164 VanDerWaalsContact O-N 3.11Å; E1161-Q1165 PolarHBondContact O-N 3.09Å |
| 1162 | A | 72.6 | Confident | 63.5 | Low | 47 Ų | 47 | 77 Ų | 77 | 39% | 0.388 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1158 L1164 Q1165 D1166 | R1158-A1162 PolarHBondContact O-N 3.32Å; A1162-L1164 PolarHBondContact O-N 3.35Å; A1162-L1164 VanDerWaalsContact O-N 3.07Å; A1162-Q1165 WeakPolarHBondContact O-CB 3.23Å; A1162-Q1165 PolarHBondContact O-N 3.01Å; A1162-D1166 PolarHBondContact O-N 3.11Å; A1162-D1166 VanDerWaalsContact O-N 3.17Å |
| 1163 | S | 66.5 | Low | 61 | Low | 58 Ų | 58 | 77.9 Ų | 77.9 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.4 | -16.5 | 177.4 | 72.1 | 0 | 0 | 0 | 0 | 114.8 | A1159 R1160 E1161 E1167 | A1159-S1163 PolarHBondContact O-N 3.12Å; R1160-S1163 WeakPolarHBondContact CA-OG 3.12Å; R1160-S1163 PolarHBondContact O-N 3.03Å; R1160-S1163 PolarHBondContact O-OG 3.39Å; E1161-S1163 PolarHBondContact O-N 3.37Å; S1163-E1167 VanDerWaalsContact O-CG 3.27Å; S1163-E1167 WeakPolarHBondContact O-CG 3.3Å |
| 1164 | L | 65.5 | Low | 58.5 | Low | 50 Ų | 50 | 83.1 Ų | 83.1 | 26% | 0.262 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -89.7 | -18 | 173.5 | -70.1 | 169.6 | 0 | 0 | 0 | 113 | R1160 E1161 A1162 | R1160-L1164 WeakPolarHBondContact O-CG 3.38Å; R1160-L1164 PolarHBondContact O-N 2.89Å; R1160-L1164 VanDerWaalsContact O-N 3.17Å; E1161-L1164 PolarHBondContact O-N 2.68Å; E1161-L1164 VanDerWaalsContact O-N 3.11Å; A1162-L1164 PolarHBondContact O-N 3.35Å; A1162-L1164 VanDerWaalsContact O-N 3.07Å |
| 1165 | Q | 59.8 | Low | 55.7 | Low | 125 Ų | 125 | 89.5 Ų | 89.5 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -78.3 | -45.9 | 171.7 | -66.8 | 172.9 | -1.1 | 0 | 0 | 110.2 | E1161 A1162 E1167 G1168 | E1161-Q1165 PolarHBondContact O-N 3.09Å; A1162-Q1165 WeakPolarHBondContact O-CB 3.23Å; A1162-Q1165 PolarHBondContact O-N 3.01Å; Q1165-E1167 VanDerWaalsContact C-N 3.25Å; Q1165-E1167 PolarHBondContact O-N 3.15Å; Q1165-G1168 PolarHBondContact O-N 3.19Å |
| 1166 | D | 53.3 | Low | 53 | Low | 148 Ų | 148 | 89.5 Ų | 89.5 | 79% | 0.791 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -34.4 | 176 | -66.4 | -30.6 | 0 | 0 | 0 | 113 | A1162 G1168 | A1162-D1166 PolarHBondContact O-N 3.11Å; A1162-D1166 VanDerWaalsContact O-N 3.17Å; D1166-G1168 VanDerWaalsContact C-N 3.27Å; D1166-G1168 PolarHBondContact O-N 3.16Å |
| 1167 | E | 44.2 | Very low | 50.6 | Low | 117 Ų | 117 | 94.2 Ų | 94.2 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1 | -178.3 | -80.6 | -96.3 | 137.5 | 0 | 0 | 114.4 | S1163 Q1165 K1169 | S1163-E1167 VanDerWaalsContact O-CG 3.27Å; S1163-E1167 WeakPolarHBondContact O-CG 3.3Å; Q1165-E1167 VanDerWaalsContact C-N 3.25Å; Q1165-E1167 PolarHBondContact O-N 3.15Å; E1167-K1169 HydrophobicContact CB-CD 4.29Å; E1167-K1169 WeakPolarHBondContact O-CG 3.42Å; E1167-K1169 PolarHBondContact O-N 2.83Å; E1167-K1169 VanDerWaalsContact O-N 3.1Å; E1167-K1169 IonicContact OE2-NZ 2.7Å; E1167-K1169 PolarHBondContact OE2-NZ 2.66Å |
| 1168 | G | 41.8 | Very low | 48 | Very low | 68 Ų | 68 | 99.9 Ų | 99.9 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | 8.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1165 D1166 L1170 | Q1165-G1168 PolarHBondContact O-N 3.19Å; D1166-G1168 VanDerWaalsContact C-N 3.27Å; D1166-G1168 PolarHBondContact O-N 3.16Å; G1168-L1170 PolarHBondContact O-N 3.26Å |
| 1169 | K | 39.3 | Very low | 45.2 | Very low | 133 Ų | 133 | 104.5 Ų | 104.5 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | trans | -95.1 | 65.5 | -169 | -74.5 | 158.8 | -166.5 | 167.4 | 0 | 113 | R1087 E1167 | R1087-K1169 PolarHBondContact NH2-O 2.96Å; E1167-K1169 HydrophobicContact CB-CD 4.29Å; E1167-K1169 WeakPolarHBondContact O-CG 3.42Å; E1167-K1169 PolarHBondContact O-N 2.83Å; E1167-K1169 VanDerWaalsContact O-N 3.1Å; E1167-K1169 IonicContact OE2-NZ 2.7Å; E1167-K1169 PolarHBondContact OE2-NZ 2.66Å | ||
| 1170 | L | 32.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 110 Ų | 110 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | trans | -120.3 | 82.4 | 168.2 | -86.8 | 93.5 | 0 | 0 | 0 | 112.2 | G1168 | G1168-L1170 PolarHBondContact O-N 3.26Š| ||
| 1171 | S | 29.5 | Very low | 40.6 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | -121.7 | 134 | 162.7 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1172 | E | 33.2 | Very low | 38.2 | Very low | 168 Ų | 168 | 115.4 Ų | 115.4 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | 68.7 | 137.3 | 170.5 | -54.7 | -169.4 | 163 | 0 | 0 | 118.8 | ||||
| 1173 | P | 27.5 | Very low | 36 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | trans | -93.8 | 110.3 | 173 | 34.9 | -29.3 | 0 | 0 | 0 | 111.3 | T1175 | P1173-T1175 VanDerWaalsContact C-N 3.35Å; P1173-T1175 PolarHBondContact O-N 2.81Å | ||
| 1174 | V | 27.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 75% | 0.745 | 67% | 0.674 | S | S | * | * | trans | -78.8 | 82.4 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | S1176 | V1174-S1176 PolarHBondContact O-N 3.07Š| ||
| 1175 | T | 25.4 | Very low | 32.3 | Very low | 135 Ų | 135 | 121.1 Ų | 121.1 | 83% | 0.828 | 69% | 0.685 | S | S | * | * | trans | -79.8 | 65.7 | 170.7 | 53 | 0 | 0 | 0 | 0 | 111.4 | P1173 | P1173-T1175 VanDerWaalsContact C-N 3.35Å; P1173-T1175 PolarHBondContact O-N 2.81Å | ||
| 1176 | S | 24.6 | Very low | 30.8 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 57% | 0.573 | 69% | 0.688 | S | S | * | * | trans | -158.5 | 118.4 | 169.8 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | V1174 | V1174-S1176 PolarHBondContact O-N 3.07Š| ||
| 1177 | L | 28.1 | Very low | 29.6 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | -166.7 | 69.2 | 146.8 | -107.2 | 162.8 | 0 | 0 | 0 | 108.6 | ||||
| 1178 | T | 25.9 | Very low | 28.8 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 69% | 0.688 | S | S | * | * | trans | -57.4 | 163.5 | 161.1 | 41.9 | 0 | 0 | 0 | 0 | 111.1 | E1180 | T1178-E1180 PolarHBondContact O-N 3.32Å; T1178-E1180 VanDerWaalsContact O-N 3.12Å | ||
| 1179 | N | 25.8 | Very low | 28.2 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 84% | 0.84 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -40.1 | 112.2 | 176.3 | -56.6 | -31.3 | 0 | 0 | 0 | 113.9 | ||
| 1180 | E | 24.4 | Very low | 27.8 | Very low | 180 Ų | 180 | 123.1 Ų | 123.1 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | -174.3 | 166.6 | 144.1 | -103.4 | 151.6 | -152 | 0 | 0 | 110.6 | T1178 | T1178-E1180 PolarHBondContact O-N 3.32Å; T1178-E1180 VanDerWaalsContact O-N 3.12Å | ||
| 1181 | D | 26.7 | Very low | 27.7 | Very low | 148 Ų | 148 | 123.4 Ų | 123.4 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | 47.5 | 86.4 | 174.4 | -67.7 | -14.9 | 0 | 0 | 0 | 118.6 | ||||
| 1182 | C | 27.9 | Very low | 27.8 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 47% | 0.466 | 68% | 0.678 | S | S | . | * | cis | 76.3 | 43.6 | 43.1 | -150.8 | 0 | 0 | 0 | 0 | 116.7 | R1186 | C1182-R1186 PolarHBondContact O-NH1 2.96Š| ||
| 1183 | V | 26.2 | Very low | 27.4 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | trans | -120.2 | -46.3 | 167.7 | -175.6 | 0 | 0 | 0 | 0 | 113.8 | T1185 | V1183-T1185 PolarHBondContact O-N 2.95Š| ||
| 1184 | V | 26.5 | Very low | 27.3 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 50% | 0.497 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -72.5 | -32.7 | -165.9 | -177.5 | 0 | 0 | 0 | 0 | 113.8 | V1082 Y1187 | V1082-V1184 HydrophobicContact CG2-CG2 4.32Å; V1184-Y1187 PolarHBondContact O-N 2.88Å |
| 1185 | T | 27.9 | Very low | 27.3 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 51% | 0.509 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -64.5 | -40.9 | -179.9 | 43.2 | 0 | 0 | 0 | 0 | 112.9 | V1183 Y1187 L1188 D1189 | V1183-T1185 PolarHBondContact O-N 2.95Å; T1185-Y1187 PolarHBondContact O-N 3.4Å; T1185-L1188 PolarHBondContact O-N 3.32Å; T1185-D1189 PolarHBondContact O-N 3.3Å |
| 1186 | R | 27.6 | Very low | 27.2 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -60.5 | -19.3 | 179.3 | -72.4 | -176.7 | 175.8 | 134.1 | -5.4 | 114.2 | C1182 S1190 | C1182-R1186 PolarHBondContact O-NH1 2.96Å; R1186-S1190 WeakPolarHBondContact O-CB 3.43Å; R1186-S1190 PolarHBondContact O-OG 3.14Å |
| 1187 | Y | 28.6 | Very low | 27.3 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -91.9 | -3.8 | 179.2 | -120.4 | -79.7 | 0 | 0 | 0 | 114.3 | V1184 T1185 | V1184-Y1187 PolarHBondContact O-N 2.88Å; T1185-Y1187 PolarHBondContact O-N 3.4Å |
| 1188 | L | 28.5 | Very low | 27.1 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 60% | 0.597 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | -42.2 | 173.6 | -65.8 | 172.5 | 0 | 0 | 0 | 110.8 | T1185 S1190 I1191 | T1185-L1188 PolarHBondContact O-N 3.32Å; L1188-S1190 PolarHBondContact O-N 3.19Å; L1188-I1191 HydrophobicContact CD2-CD1 4.49Å; L1188-I1191 PolarHBondContact O-N 3.25Å |
| 1189 | D | 27.5 | Very low | 27.2 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 44% | 0.439 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -19.4 | 172.6 | -90.8 | -63.9 | 0 | 0 | 0 | 114.1 | T1185 R1193 | T1185-D1189 PolarHBondContact O-N 3.3Å; D1189-R1193 IonicContact OD1-CZ 2.73Å; D1189-R1193 IonicContact OD1-NH1 3.62Å; D1189-R1193 PolarHBondContact OD1-NH1 3.1Å |
| 1190 | S | 30.8 | Very low | 27.1 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -0.5 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | R1186 L1188 | R1186-S1190 WeakPolarHBondContact O-CB 3.43Å; R1186-S1190 PolarHBondContact O-OG 3.14Å; L1188-S1190 PolarHBondContact O-N 3.19Å |
| 1191 | I | 32.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 127 Ų | 127 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -31.9 | 174.6 | -59.9 | 179 | 0 | 0 | 0 | 110.6 | L1188 | L1188-I1191 HydrophobicContact CD2-CD1 4.49Å; L1188-I1191 PolarHBondContact O-N 3.25Å |
| 1192 | D | 30 | Very low | 27.5 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -91.6 | 4.1 | -178.4 | -68.8 | -32.2 | 0 | 0 | 0 | 114.5 | ||
| 1193 | R | 25.2 | Very low | 27.6 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 64% | 0.638 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -142.4 | 74.7 | -178.7 | -65.4 | -168.5 | -171.6 | 85.3 | -2.9 | 114.7 | D1189 | D1189-R1193 IonicContact OD1-CZ 2.73Å; D1189-R1193 IonicContact OD1-NH1 3.62Å; D1189-R1193 PolarHBondContact OD1-NH1 3.1Å |
| 1194 | E | 26.6 | Very low | 27.7 | Very low | 189 Ų | 189 | 126.1 Ų | 126.1 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -162.1 | 138.7 | 139.6 | -112.3 | 162.5 | -149.7 | 0 | 0 | 111.3 | ||
| 1195 | D | 27.3 | Very low | 27.7 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 83% | 0.834 | 67% | 0.67 | S | S | * | * | trans | 47 | 80.9 | 176.3 | -72.3 | 1.9 | 0 | 0 | 0 | 119.1 | V1197 | D1195-V1197 PolarHBondContact O-N 3.16Š| ||
| 1196 | A | 23.6 | Very low | 27.7 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -60.7 | 122.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1197 | V | 27 | Very low | 27.7 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | trans | -128.4 | 113.8 | 162.2 | 180 | 0 | 0 | 0 | 0 | 108.6 | D1195 I1199 | D1195-V1197 PolarHBondContact O-N 3.16Å; V1197-I1199 PolarHBondContact O-N 2.9Å; V1197-I1199 VanDerWaalsContact O-N 3.08Å | ||
| 1198 | E | 23.7 | Very low | 27.5 | Very low | 189 Ų | 189 | 124.8 Ų | 124.8 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | trans | -63.5 | 107.2 | -176.1 | -59.1 | 177.2 | 141.7 | 0 | 0 | 111.8 | ||||
| 1199 | I | 26.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 124 Ų | 124 | 72% | 0.718 | 69% | 0.686 | S | S | * | * | trans | -98.6 | 114.9 | 164.7 | -59.5 | -179.2 | 0 | 0 | 0 | 107.1 | V1197 | V1197-I1199 PolarHBondContact O-N 2.9Å; V1197-I1199 VanDerWaalsContact O-N 3.08Å | ||
| 1200 | P | 24.5 | Very low | 27.2 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 49% | 0.494 | 70% | 0.697 | S | S | . | * | trans | -58.6 | 146.8 | -172.2 | -28.2 | 35.6 | 0 | 0 | 0 | 114.1 | S1202 | P1200-S1202 PolarHBondContact O-N 3.4Å; P1200-S1202 PolarHBondContact O-OG 3.09Å | ||
| 1201 | S | 26.9 | Very low | 26.9 | Very low | 127 Ų | 127 | 128 Ų | 128 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 18.7 | 177.8 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1202 | S | 32.9 | Very low | 26.5 | Very low | 32 Ų | 32 | 127.2 Ų | 127.2 | 22% | 0.224 | 71% | 0.714 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | -26.1 | -179 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | R532 P1200 | R532-S1202 PolarHBondContact NH1-O 3.44Å; P1200-S1202 PolarHBondContact O-N 3.4Å; P1200-S1202 PolarHBondContact O-OG 3.09Å |
| 1203 | Y | 29.2 | Very low | 26.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 57% | 0.569 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -84.3 | -18.5 | -161.3 | -107.3 | -94.3 | 0 | 0 | 0 | 116.2 | ||
| 1204 | V | 28.9 | Very low | 26.2 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -86.1 | -20 | -171 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | S1206 | V1204-S1206 PolarHBondContact O-N 3.25Š|
| 1205 | S | 27 | Very low | 26.1 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -90.3 | 6.7 | -163.7 | 101.9 | 0 | 0 | 0 | 0 | 116.9 | R532 | R532-S1205 PolarHBondContact NH1-OG 2.61Š|
| 1206 | S | 27.4 | Very low | 26.1 | Very low | 69 Ų | 69 | 126 Ų | 126 | 48% | 0.483 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -134.1 | 2.3 | -159.1 | 60.6 | 0 | 0 | 0 | 0 | 117.6 | V1204 | V1204-S1206 PolarHBondContact O-N 3.25Š|
| 1207 | R | 27.7 | Very low | 26.3 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -137.7 | 12.2 | -175.9 | -74.9 | -167 | 170.9 | -165.6 | -3.6 | 117 | ||
| 1208 | C | 25.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 90% | 0.899 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -114.7 | 20.3 | 179.2 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1209 | S | 24.4 | Very low | 26.6 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -124.6 | 27.9 | -172 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1210 | S | 24.7 | Very low | 26.7 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -142.4 | 35.7 | -172.5 | 67.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1211 | V | 24.5 | Very low | 26.8 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | trans | -138.8 | 54.2 | 160.2 | -164.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1212 | T | 23.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | -101.3 | 141.4 | 170.8 | 40.7 | 0 | 0 | 0 | 0 | 109.6 | E1214 | T1212-E1214 PolarHBondContact O-N 3.35Å; T1212-E1214 VanDerWaalsContact O-N 3.14Å | ||
| 1213 | F | 23.5 | Very low | 26.5 | Very low | 202 Ų | 202 | 139 Ų | 139 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | trans | -65.5 | 109.6 | 174.9 | -79.6 | -112 | 0 | 0 | 0 | 110.2 | ||||
| 1214 | E | 25.1 | Very low | 26.4 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -82.3 | 121.3 | 166.7 | -75.1 | -176.9 | 160.6 | 0 | 0 | 110.2 | T1212 | T1212-E1214 PolarHBondContact O-N 3.35Å; T1212-E1214 VanDerWaalsContact O-N 3.14Å | ||
| 1215 | H | 25.7 | Very low | 26.3 | Very low | 150 Ų | 150 | 136 Ų | 136 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -94.2 | 123.3 | 166.8 | -85.6 | -84.6 | 0 | 0 | 0 | 108.9 | ||||
| 1216 | A | 26.7 | Very low | 26.2 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 12.7 | 119.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1217 | E | 27.2 | Very low | 26.1 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | trans | -99.1 | 128.2 | 141.6 | -72.9 | -175.3 | 152.9 | 0 | 0 | 109.2 | ||||
| 1218 | L | 25.4 | Very low | 25.9 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -100.1 | 121.4 | 161 | -93.6 | 160.2 | 0 | 0 | 0 | 105.7 | ||||
| 1219 | D | 31.6 | Very low | 25.9 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -151.3 | 153.9 | 154.1 | -113.8 | -30.2 | 0 | 0 | 0 | 110 | ||||
| 1220 | G | 29.3 | Very low | 26 | Very low | 55 Ų | 55 | 139.4 Ų | 139.4 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | trans | -156.8 | 158.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1221 | N | 26.5 | Very low | 25.9 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 61.4 | 106.1 | 175.5 | -62.9 | -25.7 | 0 | 0 | 0 | 113.4 | ||||
| 1222 | K | 28.4 | Very low | 26.1 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | cis | -174.2 | 157.2 | 50 | -109.2 | 158.5 | 168.8 | -107.1 | 0 | 113.8 | ||||
| 1223 | E | 24.9 | Very low | 26.2 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | trans | 56.9 | 132.4 | 140.5 | -68.8 | 161.1 | -140.9 | 0 | 0 | 122.3 | ||||
| 1224 | A | 26.3 | Very low | 26.1 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 86.4 | 109.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1225 | V | 26.6 | Very low | 26.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | 70.8 | 96.7 | 126.3 | -176.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 1226 | N | 25.7 | Very low | 26.1 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 69.5 | 144.1 | 133.8 | -60.7 | -5.1 | 0 | 0 | 0 | 122.8 | ||||
| 1227 | S | 25.6 | Very low | 26 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 64.4 | 108.7 | 145.8 | 49.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1228 | E | 24.3 | Very low | 25.8 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | 76.9 | 119.6 | 129.2 | -61.5 | -169.5 | 164.9 | 0 | 0 | 121.7 | |||||
| 1229 | L | 24.8 | Very low | 26.1 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | 45.4 | 118.9 | 141.6 | -76.6 | 77.4 | 0 | 0 | 0 | 120.2 | ||||
| 1230 | G | 25.5 | Very low | 25.7 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | 140.5 | 102.2 | 144.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1231 | A | 23.9 | Very low | 25.5 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -81.3 | 141.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1232 | P | 27.4 | Very low | 25.4 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -104.2 | 174.5 | 159.6 | 35.9 | -28.5 | 0 | 0 | 0 | 112.8 | ||||
| 1233 | H | 24.9 | Very low | 25.2 | Very low | 189 Ų | 189 | 132.5 Ų | 132.5 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | -95.2 | 167 | -171.9 | -82.5 | -106.5 | 0 | 0 | 0 | 114.5 | ||||
| 1234 | L | 23.4 | Very low | 25.3 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -58.1 | 150 | 169.9 | -72.3 | 71.7 | 0 | 0 | 0 | 113.3 | ||||
| 1235 | S | 25.3 | Very low | 25.2 | Very low | 123 Ų | 123 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -137.4 | 148.4 | 139.9 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1236 | V | 23.9 | Very low | 25.1 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -107.8 | 139.6 | -168.4 | 173 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1237 | C | 24.6 | Very low | 25.1 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -157.2 | 134.5 | 152.5 | -125.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1238 | F | 24.3 | Very low | 25.2 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 80% | 0.803 | 80% | 0.803 | S | S | * | * | trans | -97.3 | 169.6 | 168.4 | -86.4 | -74.5 | 0 | 0 | 0 | 108.6 | ||||
| 1239 | P | 30.1 | Very low | 25.1 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -157.5 | -175.9 | 44.6 | 43.9 | -21 | 0 | 0 | 0 | 121 | ||||
| 1240 | S | 24.9 | Very low | 25.2 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | 78 | 128.7 | 146.1 | 59.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1241 | N | 23.8 | Very low | 25 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 53.5 | 132.9 | 158.3 | -55 | 5.9 | 0 | 0 | 0 | 117.5 | ||||
| 1242 | D | 24.6 | Very low | 25 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | cis | -161.1 | 159.5 | 31 | -152.6 | 24.4 | 0 | 0 | 0 | 111.5 | ||||
| 1243 | K | 24.3 | Very low | 24.9 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 70% | 0.704 | 78% | 0.775 | S | S | * | * | trans | 49.6 | 108.8 | 162 | -63.9 | 163.5 | -177.9 | 119.6 | 0 | 119.8 | ||||
| 1244 | Y | 27 | Very low | 24.9 | Very low | 232 Ų | 232 | 148.4 Ų | 148.4 | 91% | 0.91 | 78% | 0.775 | S | S | * | * | 179 | 129.2 | 112.9 | -103.7 | -71.7 | 0 | 0 | 0 | 110.6 | |||||
| 1245 | H | 25.3 | Very low | 25 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | -70.5 | 133.7 | 174.8 | -87.7 | -111.5 | 0 | 0 | 0 | 111.2 | ||||
| 1246 | R | 24.7 | Very low | 25 | Very low | 214 Ų | 214 | 148.5 Ų | 148.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -124.4 | 87.2 | 174.7 | -142.3 | -177.3 | -168.3 | -179.7 | 3.7 | 108.8 | ||||
| 1247 | E | 25 | Very low | 25.1 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 157.8 | 171.5 | -68.9 | -158.4 | 121.9 | 0 | 0 | 111.5 | ||
| 1248 | K | 27.1 | Very low | 25.2 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -94 | 139.1 | -166.1 | -70.7 | 174.8 | 178.6 | 171.7 | 0 | 111.9 | ||
| 1249 | I | 23.2 | Very low | 25.2 | Very low | 163 Ų | 163 | 138 Ų | 138 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 120.6 | 164.2 | -61.8 | 164 | 0 | 0 | 0 | 108.3 | ||
| 1250 | S | 25.8 | Very low | 25.2 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | trans | -135.8 | 120.5 | 161 | 50.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1251 | C | 22.4 | Very low | 25.4 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | trans | -90.6 | 129.5 | -168.4 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1252 | E | 23.9 | Very low | 25.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 71% | 0.71 | 66% | 0.661 | S | S | * | * | trans | -138.1 | 139.1 | 152.7 | -108.4 | 172.8 | -146.2 | 0 | 0 | 109.2 | ||||
| 1253 | T | 23.9 | Very low | 25.7 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | -121.5 | 94.9 | -162.9 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1254 | T | 24.9 | Very low | 26 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | trans | -95 | 86.7 | 171.6 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | S1256 | T1254-S1256 PolarHBondContact O-N 2.71Å; T1254-S1256 VanDerWaalsContact O-N 3.13Å | ||
| 1255 | Y | 25.4 | Very low | 26.1 | Very low | 169 Ų | 169 | 122.2 Ų | 122.2 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | trans | -80.3 | 90.7 | 173.2 | -104 | -82.8 | 0 | 0 | 0 | 111.3 | P403 | P403-Y1255 WeakPolarHBondContact CA-OH 3.49Å; P403-Y1255 HydrophobicContact CB-CE1 4.22Å; P403-Y1255 WeakPolarHBondContact CB-OH 3.3Å | ||
| 1256 | S | 25.8 | Very low | 26.2 | Very low | 114 Ų | 114 | 117.7 Ų | 117.7 | 80% | 0.797 | 61% | 0.605 | S | S | * | * | trans | -80.5 | 168 | 161.1 | -165.6 | 0 | 0 | 0 | 0 | 111.1 | T1254 | T1254-S1256 PolarHBondContact O-N 2.71Å; T1254-S1256 VanDerWaalsContact O-N 3.13Å | ||
| 1257 | A | 26 | Very low | 26.5 | Very low | 56 Ų | 56 | 113 Ų | 113 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | trans | -99.6 | 135.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1258 | K | 27.1 | Very low | 26.7 | Very low | 121 Ų | 121 | 108.7 Ų | 108.7 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | trans | -167.7 | 119.9 | 137.2 | -108.5 | 171.4 | -176.9 | -178.1 | 0 | 110.5 | N372 | N372-K1258 PolarHBondContact OD1-O 3.33Š| ||
| 1259 | V | 24.5 | Very low | 26.8 | Very low | 27 Ų | 27 | 103 Ų | 103 | 16% | 0.164 | 57% | 0.57 | C | S | . | * | trans | -147.4 | 118.7 | 163.7 | 173.1 | 0 | 0 | 0 | 0 | 106.1 | D405 | D405-V1259 HydrophobicContact CB-CG2 4.34Š| ||
| 1260 | D | 28.9 | Very low | 27.2 | Very low | 98 Ų | 98 | 100.6 Ų | 100.6 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | trans | -128.7 | 153.1 | -174.4 | -90.9 | -53.5 | 0 | 0 | 0 | 112 | Q411 | Q411-D1260 PolarHBondContact NE2-O 3.33Å; Q411-D1260 VanDerWaalsContact NE2-O 3.11Å | ||
| 1261 | A | 29.6 | Very low | 27.4 | Very low | 34 Ų | 34 | 100.6 Ų | 100.6 | 28% | 0.281 | 56% | 0.559 | S | S | . | * | trans | 64.7 | 106.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | T376 Q411 | T376-A1261 WeakPolarHBondContact CG2-O 3.32Å; Q411-A1261 PolarHBondContact NE2-O 3.14Å | ||
| 1262 | N | 29.9 | Very low | 27.9 | Very low | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.444 | 57% | 0.565 | S | S | . | * | trans | 67.8 | 153.3 | 144.5 | -54.4 | -54.7 | 0 | 0 | 0 | 119.2 | Q411 P412 | Q411-N1262 WeakPolarHBondContact CG-O 3.48Å; Q411-N1262 PolarHBondContact NE2-O 3.43Å; P412-N1262 CarbonylContact O-C 3.56Å | ||
| 1263 | R | 25.6 | Very low | 28.3 | Very low | 130 Ų | 130 | 104.5 Ų | 104.5 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | cis | 122.9 | 110.2 | -23.8 | -146.1 | -177.9 | -174.5 | -140.7 | -0.9 | 122.8 | P412 N413 M976 | P412-R1263 VanDerWaalsContact C-N 3.26Å; P412-R1263 VanDerWaalsContact CD-CA 3.49Å; P412-R1263 HydrophobicContact CG-CG 4.3Å; P412-R1263 PolarHBondContact O-N 3.29Å; N413-R1263 CarbonylContact O-C 3.21Å; M976-R1263 PolarHBondContact SD-NE 3.35Å | ||
| 1264 | K | 30 | Very low | 28.8 | Very low | 97 Ų | 97 | 107 Ų | 107 | 42% | 0.422 | 58% | 0.575 | S | S | . | * | trans | 178.8 | -153.1 | -143.7 | -49.5 | 135.5 | -133.3 | 146.1 | 0 | 114.1 | P412 N413 R414 K416 E417 | P412-K1264 VanDerWaalsContact CB-C 3.49Å; P412-K1264 VanDerWaalsContact CB-CA 3.46Å; P412-K1264 VanDerWaalsContact CB-N 3.28Å; N413-K1264 WeakPolarHBondContact O-CA 3.39Å; N413-K1264 WeakPolarHBondContact O-CB 3.48Å; N413-K1264 PolarHBondContact O-N 3.39Å; R414-K1264 WeakPolarHBondContact O-CD 3.32Å; K416-K1264 HydrophobicContact CB-CB 3.76Å; K416-K1264 HydrophobicContact CB-CG 4.21Å; K416-K1264 HydrophobicContact CD-CG 4.31Å; K416-K1264 HydrophobicContact CG-CB 4.2Å; K416-K1264 HydrophobicContact CG-CG 4.22Å; E417-K1264 CarbonylContact O-C 3.49Å | ||
| 1265 | L | 30 | Very low | 29.1 | Very low | 94 Ų | 94 | 104.1 Ų | 104.1 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | trans | -154.8 | -78.8 | -170.6 | -128 | -165.1 | 0 | 0 | 0 | 124 | K416 E417 T418 S421 | K416-L1265 VanDerWaalsContact C-N 3.32Å; K416-L1265 HydrophobicContact CB-CB 3.49Å; K416-L1265 VanDerWaalsContact CB-CB 3.49Å; K416-L1265 CarbonylContact O-C 3.57Å; E417-L1265 VanDerWaalsContact C-N 3.32Å; E417-L1265 PolarHBondContact O-N 2.73Å; T418-L1265 WeakPolarHBondContact CG2-O 3.22Å; S421-L1265 WeakPolarHBondContact CB-O 3.49Å; S421-L1265 PolarHBondContact OG-O 3.28Å | ||
| 1266 | L | 27 | Very low | 29.5 | Very low | 93 Ų | 93 | 102.1 Ų | 102.1 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | trans | -145.8 | 155 | -152.5 | -103.7 | 62.6 | 0 | 0 | 0 | 118.3 | K416 E417 | K416-L1266 VanDerWaalsContact C-N 3.3Å; K416-L1266 CarbonylContact O-C 3.57Å; K416-L1266 WeakPolarHBondContact O-CA 3.42Å; K416-L1266 PolarHBondContact O-N 3.42Å; E417-L1266 VanDerWaalsContact CA-N 3.28Å; E417-L1266 WeakPolarHBondContact CG-O 3.12Å | ||
| 1267 | N | 30.7 | Very low | 29.7 | Very low | 115 Ų | 115 | 105 Ų | 105 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | 163.2 | 138.4 | 109.5 | -96.3 | -28.2 | 0 | 0 | 0 | 116.6 | A425 | A425-N1267 WeakPolarHBondContact CB-O 3.35Š| |||
| 1268 | S | 28.9 | Very low | 29.9 | Very low | 91 Ų | 91 | 109.5 Ų | 109.5 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | trans | -83.5 | 176.8 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1269 | S | 29.3 | Very low | 29.9 | Very low | 75 Ų | 75 | 109 Ų | 109 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | cis | -143.1 | -138.9 | -0.2 | 34.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1270 | D | 32.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 113.5 Ų | 113.5 | 61% | 0.61 | 62% | 0.617 | S | S | * | * | cis | -160.3 | 172.6 | -4.1 | -136 | -49.4 | 0 | 0 | 0 | 112 | N427 | N427-D1270 VanDerWaalsContact ND2-C 3.28Å; N427-D1270 PolarHBondContact ND2-O 3.14Å | ||
| 1271 | S | 29.7 | Very low | 30.2 | Very low | 79 Ų | 79 | 116.3 Ų | 116.3 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | trans | 49.2 | 176.4 | 159.1 | 68.5 | 0 | 0 | 0 | 0 | 119.6 | N427 | N427-S1271 PolarHBondContact ND2-O 3.31Š| ||
| 1272 | E | 32.7 | Very low | 30 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 84% | 0.841 | 64% | 0.644 | S | S | * | * | cis | -132 | -166 | -5.5 | -61.8 | 172.5 | 150.3 | 0 | 0 | 107.8 | ||||
| 1273 | D | 32.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | -144.3 | -152.3 | -97.5 | -156.8 | -93.1 | 0 | 0 | 0 | 109.4 | |||||
| 1274 | E | 32.6 | Very low | 30 | Very low | 174 Ų | 174 | 124.8 Ų | 124.8 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | trans | 66.9 | 141.6 | -178.4 | -70.8 | -158.3 | -167.5 | 0 | 0 | 118.4 | ||||
| 1275 | S | 32.9 | Very low | 29.9 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | cis | -162.3 | 169.4 | -18.3 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1276 | T | 32.5 | Very low | 30.1 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | 71.5 | 147.6 | 173.5 | 74.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1277 | Q | 30.3 | Very low | 30.2 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | cis | -164.2 | 174.9 | -46.1 | -121.9 | 178.2 | 24.6 | 0 | 0 | 110.2 | ||||
| 1278 | L | 30.5 | Very low | 30 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 81.1 | 90.4 | -176.8 | -54.3 | 169.6 | 0 | 0 | 0 | 114.5 | ||||
| 1279 | T | 27.5 | Very low | 30.5 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | 56 | 131.8 | 69.4 | 77.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 1280 | V | 32.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | cis | -141.8 | 126.6 | 38.4 | 175.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1281 | Q | 27.2 | Very low | 30 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 57.2 | 144 | 83.6 | -79.5 | -164 | 5.8 | 0 | 0 | 114 | |||||
| 1282 | L | 25.6 | Very low | 30.2 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | -150.7 | 137 | -5.5 | -93.8 | 156.8 | 0 | 0 | 0 | 106 | ||||
| 1283 | K | 25.2 | Very low | 30 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | 78.2 | 159.8 | 89 | -150.2 | 175.8 | 179.9 | 177.5 | 0 | 114.7 | |||||
| 1284 | T | 29.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 56.3 | 105.7 | 173.4 | 53.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1285 | A | 27.7 | Very low | 29.2 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | 49 | 151.8 | 58 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1286 | P | 35.5 | Very low | 28.8 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -139.2 | 148.3 | -40.9 | 36.7 | -20.9 | 0 | 0 | 0 | 113.9 | ||||
| 1287 | S | 29.4 | Very low | 28.4 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -148.3 | 102.6 | 171.7 | 61.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1288 | R | 25.3 | Very low | 28.3 | Very low | 216 Ų | 216 | 142.2 Ų | 142.2 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | trans | -57.9 | 171.5 | 148.6 | -83.4 | -173.1 | -176.8 | 159.2 | 4.3 | 110.9 | ||||
| 1289 | P | 39.7 | Very low | 28.3 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | cis | -137 | -145.8 | -46.2 | 41 | -22.3 | 0 | 0 | 0 | 108.4 | ||||
| 1290 | S | 23.7 | Very low | 28.3 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 62 | 131.8 | 153 | 63.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1291 | I | 28.4 | Very low | 28.2 | Very low | 163 Ų | 163 | 145 Ų | 145 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | -173.1 | 100.9 | 118.9 | -93.6 | 154.1 | 0 | 0 | 0 | 108 | |||||
| 1292 | L | 32.7 | Very low | 28.7 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -59.8 | 155.9 | 150.5 | -77.7 | 160.6 | 0 | 0 | 0 | 107.6 | ||||
| 1293 | P | 29.5 | Very low | 29 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 58% | 0.584 | 77% | 0.768 | S | S | * | * | cis | -163.1 | -159.7 | 49.9 | 42.3 | -18.6 | 0 | 0 | 0 | 116.6 | ||||
| 1294 | R | 24.3 | Very low | 29.7 | Very low | 209 Ų | 209 | 142.8 Ų | 142.8 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | 71.1 | 157.1 | 147.3 | -77 | 173.7 | -160 | 174.7 | 3.7 | 117.5 | ||||
| 1295 | R | 23.7 | Very low | 29.7 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | cis | -168.9 | 158 | -30.5 | -124 | -178 | -174.3 | 162.4 | -3.6 | 108 | ||||
| 1296 | K | 25.2 | Very low | 29.6 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 73.3 | 119.8 | 152.7 | -74 | 179.6 | 172.4 | -168.7 | 0 | 120.5 | ||||
| 1297 | M | 24.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 102.9 | 110.4 | 123.1 | -78.1 | 166.9 | 139.8 | 0 | 0 | 121 | |||||
| 1298 | T | 28 | Very low | 29 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 60.6 | 112.5 | 146 | 57.4 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1299 | R | 29.2 | Very low | 29.2 | Very low | 242 Ų | 242 | 140.6 Ų | 140.6 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | S | Bend | cis | -147.5 | 149 | 8.6 | -53.6 | 175.9 | -175.9 | 128.5 | -2.9 | 108.3 | ||
| 1300 | A | 28 | Very low | 28.7 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | cis | -163.5 | 166.6 | -17.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1301 | S | 30.4 | Very low | 28.8 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -137.6 | -154.2 | 8 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | E1303 | S1301-E1303 PolarHBondContact O-N 3.42Š| ||
| 1302 | S | 38.3 | Very low | 29 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | 17.5 | 90 | 150.9 | 54.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1303 | E | 31.7 | Very low | 28.9 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | 64.4 | 122 | 124.4 | -65.5 | 175.3 | -179.5 | 0 | 0 | 122.7 | S1301 | S1301-E1303 PolarHBondContact O-N 3.42Š| |||
| 1304 | P | 38.7 | Very low | 28.8 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -122.9 | 148.4 | 156.8 | 37.9 | -26.7 | 0 | 0 | 0 | 114.5 | ||||
| 1305 | G | 29.3 | Very low | 29 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -156.2 | 129.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1306 | I | 26.5 | Very low | 29.3 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | 89.9 | 118.3 | 65 | -72.3 | 163.4 | 0 | 0 | 0 | 112.7 | |||||
| 1307 | G | 26.7 | Very low | 29.3 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 98.3 | 152.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1308 | F | 25.9 | Very low | 29.5 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | cis | -150.3 | 154.5 | -0.4 | -112 | -95.4 | 0 | 0 | 0 | 109.8 | ||||
| 1309 | E | 28.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | trans | 47.3 | 133.3 | 155.4 | -72.6 | 166 | 165 | 0 | 0 | 121.3 | ||||
| 1310 | K | 29.2 | Very low | 29.6 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | 84.4 | 146.4 | 49.8 | -84.9 | -172.1 | -178.6 | 168.4 | 0 | 115.2 | ||||
| 1311 | L | 27.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | 70.8 | 141.2 | -177.5 | -52.8 | 129.8 | 0 | 0 | 0 | 110.7 | ||||
| 1312 | V | 31.2 | Very low | 29.7 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | cis | -136.3 | 125.5 | 22.6 | 162.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1313 | I | 31.2 | Very low | 29.1 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 68% | 0.677 | 81% | 0.807 | S | S | * | * | 51 | 108 | 113.2 | -52.2 | 167.4 | 0 | 0 | 0 | 112.3 | |||||
| 1314 | E | 27.5 | Very low | 28.9 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | 65.9 | 148.4 | 78.4 | -82 | -176.1 | 152.1 | 0 | 0 | 114.5 | |||||
| 1315 | D | 27.9 | Very low | 28.2 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | 61.2 | 140.8 | -152.8 | -66.1 | -36.4 | 0 | 0 | 0 | 113.7 | ||||
| 1316 | V | 30.9 | Very low | 28.2 | Very low | 129 Ų | 129 | 158.7 Ų | 158.7 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | cis | -124.9 | 126.7 | 11.2 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1317 | Q | 24.4 | Very low | 28.3 | Very low | 193 Ų | 193 | 158 Ų | 158 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -124.1 | 105 | 164.1 | -133.2 | -174.8 | 21.1 | 0 | 0 | 110.1 | ||||
| 1318 | K | 29 | Very low | 28.4 | Very low | 271 Ų | 271 | 166.5 Ų | 166.5 | 100% | 1.178 | 82% | 0.815 | S | S | * | * | trans | -155.6 | 0 | 174.5 | -104.3 | 170.9 | -172.9 | 161.5 | 0 | 110.2 |
Retrieved 1,318 of 1,318 residues in 4445.1 ms
(Link to these results)