| 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 | 40.8 | Very low | 60.6 | Low | 213 Ų | 213 | 79.3 Ų | 79.3 | 100% | 1.049 | 42% | 0.418 | S | S | * | . | 0 | -37.1 | 0 | -82.9 | 174.5 | 177.2 | 0 | 0 | 113.3 | N3 W4 L5 | M1-N3 PolarHBondContact O-N 3.04Å; M1-W4 PolarHBondContact O-N 3.26Å; M1-W4 VanDerWaalsContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 3.02Å | |||
| 2 | G | 45.1 | Very low | 62.5 | Low | 50 Ų | 50 | 76.6 Ų | 76.6 | 52% | 0.515 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -52.5 | -46.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | W4 L5 A6 | G2-W4 VanDerWaalsContact C-N 3.26Å; G2-W4 PolarHBondContact O-N 3.08Å; G2-L5 PolarHBondContact O-N 3.41Å; G2-A6 PolarHBondContact O-N 3.32Å; G2-A6 VanDerWaalsContact O-N 3.07Å |
| 3 | N | 53.4 | Low | 64.4 | Low | 41 Ų | 41 | 77.7 Ų | 77.7 | 22% | 0.219 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.4 | -22.3 | 179.2 | -72.3 | -0.7 | 0 | 0 | 0 | 114.5 | M1 N7 S549 | M1-N3 PolarHBondContact O-N 3.04Å; N3-N7 PolarHBondContact O-ND2 3.06Å; N3-S549 PolarHBondContact ND2-O 3.02Å |
| 4 | W | 58.8 | Low | 66.1 | Low | 123 Ų | 123 | 78.7 Ų | 78.7 | 47% | 0.466 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -78.4 | -46 | 177.9 | -178.1 | 82.3 | 0 | 0 | 0 | 110.7 | M1 G2 N7 H8 V12 | M1-W4 PolarHBondContact O-N 3.26Å; M1-W4 VanDerWaalsContact O-N 3.1Å; G2-W4 VanDerWaalsContact C-N 3.26Å; G2-W4 PolarHBondContact O-N 3.08Å; W4-N7 PolarHBondContact O-N 3.42Å; W4-H8 AromaticContact CD1-CE1 3.92Å; W4-H8 AromaticContact CD1-ND1 3.75Å; W4-H8 AromaticContact NE1-CE1 3.93Å; W4-H8 AromaticContact NE1-ND1 3.76Å; W4-H8 PolarHBondContact O-N 3.09Å; W4-H8 VanDerWaalsContact O-N 3.12Å; W4-H8 PolarHBondContact O-ND1 2.85Å; W4-V12 HydrophobicContact CH2-CG2 3.8Å; W4-V12 HydrophobicContact CZ3-CG2 4.06Å |
| 5 | L | 58.7 | Low | 67.7 | Low | 100 Ų | 100 | 77.3 Ų | 77.3 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 177.3 | -126 | 101.7 | 0 | 0 | 0 | 110.5 | M1 G2 N7 H8 W9 | M1-L5 PolarHBondContact O-N 3.02Å; G2-L5 PolarHBondContact O-N 3.41Å; L5-N7 PolarHBondContact O-N 3.29Å; L5-H8 PolarHBondContact O-N 3.34Å; L5-H8 VanDerWaalsContact O-N 3.1Å; L5-W9 WeakPolarHBondContact O-CA 3.39Å; L5-W9 WeakPolarHBondContact O-CB 3.27Å; L5-W9 PolarHBondContact O-N 3.03Å |
| 6 | A | 58.6 | Low | 69.2 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.9 | -28.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G2 | G2-A6 PolarHBondContact O-N 3.32Å; G2-A6 VanDerWaalsContact O-N 3.07Å |
| 7 | N | 58.5 | Low | 70.6 | Confident | 43 Ų | 43 | 77.2 Ų | 77.2 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -93.4 | -17.5 | -179.2 | -77.7 | -44.3 | 0 | 0 | 0 | 114.8 | N3 W4 L5 Y558 | N3-N7 PolarHBondContact O-ND2 3.06Å; W4-N7 PolarHBondContact O-N 3.42Å; L5-N7 PolarHBondContact O-N 3.29Å; N7-Y558 VanDerWaalsContact OD1-CE1 3.3Å; N7-Y558 WeakPolarHBondContact OD1-CE1 3.32Å |
| 8 | H | 67.1 | Low | 72 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 27% | 0.269 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -127.8 | 4.5 | -174.3 | -58.9 | 81.1 | 0 | 0 | 0 | 113.5 | W4 L5 L10 S11 V12 | W4-H8 AromaticContact CD1-CE1 3.92Å; W4-H8 AromaticContact CD1-ND1 3.75Å; W4-H8 AromaticContact NE1-CE1 3.93Å; W4-H8 AromaticContact NE1-ND1 3.76Å; W4-H8 PolarHBondContact O-N 3.09Å; W4-H8 VanDerWaalsContact O-N 3.12Å; W4-H8 PolarHBondContact O-ND1 2.85Å; L5-H8 PolarHBondContact O-N 3.34Å; L5-H8 VanDerWaalsContact O-N 3.1Å; H8-L10 PolarHBondContact O-N 3.45Å; H8-L10 VanDerWaalsContact O-N 3.11Å; H8-S11 PolarHBondContact O-N 3.22Å; H8-V12 HydrophobicContact CB-CG2 4.5Å; H8-V12 WeakPolarHBondContact O-CG2 3.35Å; H8-V12 PolarHBondContact O-N 3Å |
| 9 | W | 73.6 | Confident | 73.2 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 47% | 0.47 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.4 | -34.7 | -172.9 | 71.2 | -87.8 | 0 | 0 | 0 | 112.4 | L5 V12 L13 T89 | L5-W9 WeakPolarHBondContact O-CA 3.39Å; L5-W9 WeakPolarHBondContact O-CB 3.27Å; L5-W9 PolarHBondContact O-N 3.03Å; W9-V12 PolarHBondContact O-N 3.33Å; W9-L13 HydrophobicContact CE3-CD2 4.35Å; W9-L13 HydrophobicContact CZ3-CD2 3.87Å; W9-L13 VanDerWaalsContact O-CB 3.23Å; W9-L13 WeakPolarHBondContact O-CB 3.13Å; W9-L13 PolarHBondContact O-N 3.32Å; W9-T89 HydrophobicContact CZ2-CG2 4.42Å |
| 10 | L | 74.6 | Confident | 74.4 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -72.8 | -38.9 | -179.9 | -160.9 | 131.9 | 0 | 0 | 0 | 112 | H8 V12 L13 F14 T89 L90 P93 | H8-L10 PolarHBondContact O-N 3.45Å; H8-L10 VanDerWaalsContact O-N 3.11Å; L10-V12 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.16Å; L10-F14 WeakPolarHBondContact O-CB 3.49Å; L10-F14 PolarHBondContact O-N 3.13Å; L10-T89 HydrophobicContact CB-CG2 4.04Å; L10-T89 HydrophobicContact CD1-CG2 4.37Å; L10-L90 HydrophobicContact CD1-CD2 3.9Å; L10-L90 HydrophobicContact CD1-CG 4.38Å; L10-L90 HydrophobicContact CD2-CD2 3.8Å; L10-P93 HydrophobicContact CD2-CG 3.45Å; L10-P93 VanDerWaalsContact CD2-CG 3.45Å |
| 11 | S | 77.8 | Confident | 75.5 | Confident | 19 Ų | 19 | 72 Ų | 72 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 170.8 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | H8 L15 | H8-S11 PolarHBondContact O-N 3.22Å; S11-L15 WeakPolarHBondContact O-CG 3.42Å; S11-L15 PolarHBondContact O-N 2.91Å; S11-L15 VanDerWaalsContact O-N 3.08Å |
| 12 | V | 83.3 | Confident | 78.2 | Confident | 47 Ų | 47 | 62 Ų | 62 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | W4 H8 W9 L10 F14 L15 V16 | W4-V12 HydrophobicContact CH2-CG2 3.8Å; W4-V12 HydrophobicContact CZ3-CG2 4.06Å; H8-V12 HydrophobicContact CB-CG2 4.5Å; H8-V12 WeakPolarHBondContact O-CG2 3.35Å; H8-V12 PolarHBondContact O-N 3Å; W9-V12 PolarHBondContact O-N 3.33Å; L10-V12 VanDerWaalsContact C-N 3.34Å; V12-F14 VanDerWaalsContact C-N 3.33Å; V12-F14 PolarHBondContact O-N 3.28Å; V12-L15 PolarHBondContact O-N 3.08Å; V12-V16 HydrophobicContact CG1-CG2 4.13Å; V12-V16 WeakPolarHBondContact O-CB 3.15Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 3.49Å |
| 13 | L | 87.3 | Confident | 80.7 | Confident | 91 Ų | 91 | 65 Ų | 65 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.3 | 179.1 | 65.3 | 0 | 0 | 0 | 111.1 | W9 L10 V16 S17 | W9-L13 HydrophobicContact CE3-CD2 4.35Å; W9-L13 HydrophobicContact CZ3-CD2 3.87Å; W9-L13 VanDerWaalsContact O-CB 3.23Å; W9-L13 WeakPolarHBondContact O-CB 3.13Å; W9-L13 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 3.16Å; L13-V16 PolarHBondContact O-N 3.08Å; L13-S17 VanDerWaalsContact O-CB 3.29Å; L13-S17 WeakPolarHBondContact O-CB 3.4Å; L13-S17 PolarHBondContact O-N 2.9Å; L13-S17 PolarHBondContact O-OG 2.98Å |
| 14 | F | 87.8 | Confident | 82.8 | Confident | 92 Ų | 92 | 69 Ų | 69 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175 | 176.9 | -98.2 | 0 | 0 | 0 | 111.8 | L10 V12 S17 W18 F100 | L10-F14 WeakPolarHBondContact O-CB 3.49Å; L10-F14 PolarHBondContact O-N 3.13Å; V12-F14 VanDerWaalsContact C-N 3.33Å; V12-F14 PolarHBondContact O-N 3.28Å; F14-S17 PolarHBondContact O-N 3.3Å; F14-W18 PolarHBondContact O-N 3.49Å; F14-F100 HydrophobicContact CE1-CD1 4.11Å; F14-F100 AromaticContact CE1-CD2 3.8Å; F14-F100 HydrophobicContact CE1-CD2 3.8Å; F14-F100 AromaticContact CE1-CE1 3.94Å; F14-F100 HydrophobicContact CE1-CE1 3.94Å; F14-F100 AromaticContact CE1-CE2 3.6Å; F14-F100 HydrophobicContact CE1-CE2 3.6Å; F14-F100 HydrophobicContact CE1-CG 4.06Å; F14-F100 AromaticContact CE1-CZ 3.68Å; F14-F100 HydrophobicContact CE1-CZ 3.68Å; F14-F100 HydrophobicContact CZ-CD1 4.42Å; F14-F100 AromaticContact CZ-CE1 3.92Å; F14-F100 HydrophobicContact CZ-CE1 3.92Å; F14-F100 HydrophobicContact CZ-CE2 4.2Å; F14-F100 AromaticContact CZ-CZ 3.8Å; F14-F100 HydrophobicContact CZ-CZ 3.8Å |
| 15 | L | 89.9 | Confident | 84.6 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 178.3 | -73.3 | 172.5 | 0 | 0 | 0 | 112.5 | S11 V12 S17 W18 L19 F100 L103 | S11-L15 WeakPolarHBondContact O-CG 3.42Å; S11-L15 PolarHBondContact O-N 2.91Å; S11-L15 VanDerWaalsContact O-N 3.08Å; V12-L15 PolarHBondContact O-N 3.08Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.4Å; L15-W18 PolarHBondContact O-N 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 WeakPolarHBondContact O-CG 2.97Å; L15-L19 PolarHBondContact O-N 2.58Å; L15-F100 HydrophobicContact CD2-CD2 3.98Å; L15-F100 HydrophobicContact CD2-CE2 4.43Å; L15-L103 HydrophobicContact CD2-CD1 3.78Å |
| 16 | V | 91.9 | Very high | 86.5 | Confident | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.527 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.6 | 170 | 0 | 0 | 0 | 0 | 110.5 | V12 L13 L19 G20 | V12-V16 HydrophobicContact CG1-CG2 4.13Å; V12-V16 WeakPolarHBondContact O-CB 3.15Å; V12-V16 VanDerWaalsContact O-CG2 3.29Å; V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 3.49Å; L13-V16 PolarHBondContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 2.78Å; V16-G20 PolarHBondContact O-N 3.47Å |
| 17 | S | 93.1 | Very high | 88.4 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | L13 F14 L15 G20 L21 | L13-S17 VanDerWaalsContact O-CB 3.29Å; L13-S17 WeakPolarHBondContact O-CB 3.4Å; L13-S17 PolarHBondContact O-N 2.9Å; L13-S17 PolarHBondContact O-OG 2.98Å; F14-S17 PolarHBondContact O-N 3.3Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.4Å; S17-G20 PolarHBondContact O-N 3.18Å; S17-L21 WeakPolarHBondContact O-CB 3.43Å; S17-L21 PolarHBondContact O-N 2.89Å |
| 18 | W | 95.5 | Very high | 90.2 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 175.3 | 166.5 | 75.4 | 0 | 0 | 0 | 112.5 | F14 L15 N22 F62 N63 F100 L103 V104 M107 | F14-W18 PolarHBondContact O-N 3.49Å; L15-W18 PolarHBondContact O-N 3.24Å; W18-N22 PolarHBondContact NE1-ND2 3.37Å; W18-N22 PolarHBondContact O-N 2.61Å; W18-N22 VanDerWaalsContact O-N 3.08Å; W18-N22 PolarHBondContact O-ND2 3.07Å; W18-F62 AromaticContact CD1-CE1 3.6Å; W18-F62 AromaticContact CD1-CZ 3.92Å; W18-F62 AromaticContact NE1-CE1 3.84Å; W18-N63 WeakPolarHBondContact CZ2-OD1 3.38Å; W18-N63 PolarHBondContact NE1-OD1 2.79Å; W18-N63 VanDerWaalsContact NE1-OD1 3.09Å; W18-F100 HydrophobicContact CB-CE2 4.42Å; W18-F100 AromaticContact CD1-CZ 3.99Å; W18-F100 AromaticContact CD2-CE2 3.83Å; W18-F100 HydrophobicContact CD2-CE2 3.83Å; W18-F100 HydrophobicContact CD2-CZ 4.41Å; W18-F100 HydrophobicContact CE3-CE2 4.23Å; W18-F100 AromaticContact CG-CE2 3.88Å; W18-F100 HydrophobicContact CG-CE2 3.88Å; W18-F100 HydrophobicContact CG-CZ 4.12Å; W18-L103 HydrophobicContact CH2-CB 4.31Å; W18-L103 HydrophobicContact CZ3-CB 4.47Å; W18-V104 HydrophobicContact CZ2-CG2 4.03Å; W18-M107 HydrophobicContact CH2-CB 4Å; W18-M107 HydrophobicContact CH2-CE 3.64Å; W18-M107 HydrophobicContact CH2-CG 4.29Å; W18-M107 HydrophobicContact CZ2-CB 3.82Å; W18-M107 HydrophobicContact CZ2-CE 4.17Å; W18-M107 HydrophobicContact CZ2-CG 4Å; W18-M107 HydrophobicContact CZ3-CE 4.26Å |
| 19 | L | 95.9 | Very high | 91.6 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 174.7 | -75 | 172.7 | 0 | 0 | 0 | 111.8 | L15 V16 L21 N22 I23 M107 | L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 WeakPolarHBondContact O-CG 2.97Å; L15-L19 PolarHBondContact O-N 2.58Å; V16-L19 PolarHBondContact O-N 2.78Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.11Å; L19-N22 WeakPolarHBondContact O-CB 3.48Å; L19-N22 PolarHBondContact O-N 3.28Å; L19-I23 WeakPolarHBondContact O-CG1 3.36Å; L19-I23 PolarHBondContact O-N 2.63Å; L19-M107 HydrophobicContact CD2-CE 3.66Å |
| 20 | G | 96.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V16 S17 I23 F24 | V16-G20 PolarHBondContact O-N 3.47Å; S17-G20 PolarHBondContact O-N 3.18Å; G20-I23 PolarHBondContact O-N 2.86Å; G20-F24 VanDerWaalsContact O-CB 3.31Å; G20-F24 WeakPolarHBondContact O-CB 3.31Å; G20-F24 PolarHBondContact O-N 3.37Å |
| 21 | L | 96.5 | Very high | 93.9 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 37% | 0.366 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 175.8 | -174.3 | 57.8 | 0 | 0 | 0 | 111.9 | S17 L19 I23 F24 L25 F62 | S17-L21 WeakPolarHBondContact O-CB 3.43Å; S17-L21 PolarHBondContact O-N 2.89Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.11Å; L21-I23 PolarHBondContact O-N 3.05Å; L21-F24 HydrophobicContact CD1-CD1 4.17Å; L21-F24 PolarHBondContact O-N 3.47Å; L21-L25 HydrophobicContact CD1-CD1 4.27Å; L21-L25 HydrophobicContact CD1-CD2 4.38Å; L21-L25 HydrophobicContact CD1-CG 4Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 HydrophobicContact CG-CG 4.26Å; L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.07Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 3.27Å; L21-F62 HydrophobicContact CB-CZ 4.48Å; L21-F62 HydrophobicContact CD2-CD2 4.34Å; L21-F62 HydrophobicContact CD2-CE1 4.16Å; L21-F62 HydrophobicContact CD2-CE2 3.5Å; L21-F62 HydrophobicContact CD2-CZ 3.4Å; L21-F62 VanDerWaalsContact CD2-CZ 3.4Å; L21-F62 HydrophobicContact CG-CE1 4.3Å; L21-F62 HydrophobicContact CG-CE2 4.33Å; L21-F62 HydrophobicContact CG-CZ 4.03Å |
| 22 | N | 97.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 173.8 | -88 | -79 | 0 | 0 | 0 | 112.4 | W18 L19 L25 F26 C59 F62 N63 | W18-N22 PolarHBondContact NE1-ND2 3.37Å; W18-N22 PolarHBondContact O-N 2.61Å; W18-N22 VanDerWaalsContact O-N 3.08Å; W18-N22 PolarHBondContact O-ND2 3.07Å; L19-N22 WeakPolarHBondContact O-CB 3.48Å; L19-N22 PolarHBondContact O-N 3.28Å; N22-L25 PolarHBondContact O-N 3.41Å; N22-F26 WeakPolarHBondContact O-CB 3.41Å; N22-F26 PolarHBondContact O-N 3.07Å; N22-C59 PolarHBondContact O-SG 2.97Å; N22-F62 WeakPolarHBondContact ND2-CE1 3.26Å; N22-N63 PolarHBondContact OD1-ND2 3.49Å |
| 23 | I | 97.6 | Very high | 95.3 | Very high | 113 Ų | 113 | 61.1 Ų | 61.1 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 178.4 | -66.3 | 167.7 | 0 | 0 | 0 | 110.2 | L19 G20 L21 L25 F26 V27 | L19-I23 WeakPolarHBondContact O-CG1 3.36Å; L19-I23 PolarHBondContact O-N 2.63Å; G20-I23 PolarHBondContact O-N 2.86Å; L21-I23 PolarHBondContact O-N 3.05Å; I23-L25 PolarHBondContact O-N 2.81Å; I23-F26 PolarHBondContact O-N 3.29Å; I23-V27 HydrophobicContact CG2-CG2 4.33Å; I23-V27 WeakPolarHBondContact O-CG2 3.05Å; I23-V27 PolarHBondContact O-N 2.99Å |
| 24 | F | 97.9 | Very high | 95.7 | Very high | 124 Ų | 124 | 59.5 Ų | 59.5 | 54% | 0.544 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 177.7 | 170.8 | -99.5 | 0 | 0 | 0 | 111.3 | G20 L21 F26 V27 Y28 | G20-F24 VanDerWaalsContact O-CB 3.31Å; G20-F24 WeakPolarHBondContact O-CB 3.31Å; G20-F24 PolarHBondContact O-N 3.37Å; L21-F24 HydrophobicContact CD1-CD1 4.17Å; L21-F24 PolarHBondContact O-N 3.47Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.44Å; F24-V27 PolarHBondContact O-N 3.33Å; F24-Y28 WeakPolarHBondContact O-CB 3.25Å; F24-Y28 PolarHBondContact O-N 3.14Å |
| 25 | L | 97.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 179.2 | -71.8 | -178 | 0 | 0 | 0 | 112 | L21 N22 I23 A29 F58 F62 | L21-L25 HydrophobicContact CD1-CD1 4.27Å; L21-L25 HydrophobicContact CD1-CD2 4.38Å; L21-L25 HydrophobicContact CD1-CG 4Å; L21-L25 HydrophobicContact CG-CD1 4.1Å; L21-L25 HydrophobicContact CG-CG 4.26Å; L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.07Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 3.27Å; N22-L25 PolarHBondContact O-N 3.41Å; I23-L25 PolarHBondContact O-N 2.81Å; L25-A29 VanDerWaalsContact O-CB 3.27Å; L25-A29 WeakPolarHBondContact O-CB 3.33Å; L25-A29 PolarHBondContact O-N 3Å; L25-F58 HydrophobicContact CB-CD1 3.98Å; L25-F58 HydrophobicContact CB-CE1 4.43Å; L25-F58 HydrophobicContact CD1-CD1 4.06Å; L25-F58 HydrophobicContact CD1-CE1 4.07Å; L25-F58 HydrophobicContact CD2-CD1 3.93Å; L25-F58 HydrophobicContact CD2-CE1 3.49Å; L25-F58 VanDerWaalsContact CD2-CE1 3.49Å; L25-F58 HydrophobicContact CG-CD1 4.19Å; L25-F58 HydrophobicContact CG-CE1 4.18Å; L25-F62 HydrophobicContact CD1-CB 3.76Å; L25-F62 HydrophobicContact CD1-CD1 4.13Å; L25-F62 HydrophobicContact CD1-CD2 4.12Å; L25-F62 HydrophobicContact CD1-CG 3.72Å |
| 26 | F | 98.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -52.9 | 175.7 | -171.5 | -86.3 | 0 | 0 | 0 | 110.8 | N22 I23 F24 A29 F30 F52 A55 F111 | N22-F26 WeakPolarHBondContact O-CB 3.41Å; N22-F26 PolarHBondContact O-N 3.07Å; I23-F26 PolarHBondContact O-N 3.29Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.44Å; F26-A29 PolarHBondContact O-N 3.14Å; F26-F30 HydrophobicContact CE1-CB 4.49Å; F26-F30 HydrophobicContact CE1-CD2 4.29Å; F26-F30 WeakPolarHBondContact O-CB 3.26Å; F26-F30 PolarHBondContact O-N 2.65Å; F26-F52 AromaticContact CZ-CD1 3.89Å; F26-F52 HydrophobicContact CZ-CD1 3.89Å; F26-F52 HydrophobicContact CZ-CE1 4.12Å; F26-A55 HydrophobicContact CD1-CB 4.2Å; F26-A55 HydrophobicContact CD2-CB 3.65Å; F26-A55 HydrophobicContact CE1-CB 4.15Å; F26-A55 HydrophobicContact CE2-CB 3.61Å; F26-A55 HydrophobicContact CG-CB 3.96Å; F26-A55 HydrophobicContact CZ-CB 3.87Å; F26-A55 WeakPolarHBondContact O-CB 3.22Å; F26-F111 HydrophobicContact CD2-CD1 4.3Å; F26-F111 AromaticContact CD2-CE1 3.63Å; F26-F111 HydrophobicContact CD2-CE1 3.63Å; F26-F111 HydrophobicContact CD2-CZ 4.46Å; F26-F111 HydrophobicContact CE2-CD1 4.46Å; F26-F111 HydrophobicContact CE2-CE1 4.07Å |
| 27 | V | 98.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | -178.4 | 173.2 | 0 | 0 | 0 | 0 | 111 | I23 F24 F30 L31 | I23-V27 HydrophobicContact CG2-CG2 4.33Å; I23-V27 WeakPolarHBondContact O-CG2 3.05Å; I23-V27 PolarHBondContact O-N 2.99Å; F24-V27 PolarHBondContact O-N 3.33Å; V27-F30 PolarHBondContact O-N 3.17Å; V27-L31 HydrophobicContact CG1-CD1 3.77Å; V27-L31 HydrophobicContact CG1-CG 4.19Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 VanDerWaalsContact O-CG 3.25Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 2.92Å |
| 28 | Y | 97.4 | Very high | 96.3 | Very high | 128 Ų | 128 | 60 Ų | 60 | 50% | 0.502 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.3 | -53.7 | 176.9 | 172.1 | -99.6 | 0 | 0 | 0 | 111.3 | F24 F30 L31 N32 | F24-Y28 WeakPolarHBondContact O-CB 3.25Å; F24-Y28 PolarHBondContact O-N 3.14Å; Y28-F30 PolarHBondContact O-N 3.06Å; Y28-L31 PolarHBondContact O-N 3.36Å; Y28-N32 WeakPolarHBondContact O-CB 3.22Å; Y28-N32 PolarHBondContact O-N 3.49Å |
| 29 | A | 96.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L25 F26 N32 Y33 A55 F58 | L25-A29 VanDerWaalsContact O-CB 3.27Å; L25-A29 WeakPolarHBondContact O-CB 3.33Å; L25-A29 PolarHBondContact O-N 3Å; F26-A29 PolarHBondContact O-N 3.14Å; A29-N32 PolarHBondContact O-N 2.99Å; A29-Y33 VanDerWaalsContact O-CD2 3.3Å; A29-Y33 WeakPolarHBondContact O-CD2 3.5Å; A29-Y33 PolarHBondContact O-N 3.3Å; A29-A55 HydrophobicContact CB-CB 4.27Å; A29-F58 HydrophobicContact CB-CB 4.03Å; A29-F58 HydrophobicContact CB-CG 4.34Å |
| 30 | F | 98.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57 | -53.6 | 176.3 | -174.6 | -85.7 | 0 | 0 | 0 | 111.1 | F26 V27 Y28 N32 Y33 E34 A51 F52 A55 | F26-F30 HydrophobicContact CE1-CB 4.49Å; F26-F30 HydrophobicContact CE1-CD2 4.29Å; F26-F30 WeakPolarHBondContact O-CB 3.26Å; F26-F30 PolarHBondContact O-N 2.65Å; V27-F30 PolarHBondContact O-N 3.17Å; Y28-F30 PolarHBondContact O-N 3.06Å; F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.81Å; F30-Y33 PolarHBondContact O-N 2.98Å; F30-E34 HydrophobicContact CD1-CB 4.34Å; F30-E34 HydrophobicContact CE1-CB 4.16Å; F30-E34 HydrophobicContact CE1-CG 4.14Å; F30-E34 WeakPolarHBondContact O-CB 3.2Å; F30-E34 PolarHBondContact O-N 3.14Å; F30-A51 HydrophobicContact CD2-CB 3.67Å; F30-A51 HydrophobicContact CE2-CB 3.69Å; F30-A51 HydrophobicContact CG-CB 4.13Å; F30-A51 HydrophobicContact CZ-CB 4.16Å; F30-F52 HydrophobicContact CE2-CD1 4.26Å; F30-F52 AromaticContact CE2-CD2 3.74Å; F30-F52 HydrophobicContact CE2-CD2 3.74Å; F30-F52 HydrophobicContact CE2-CE1 4.15Å; F30-F52 AromaticContact CE2-CE2 3.62Å; F30-F52 HydrophobicContact CE2-CE2 3.62Å; F30-F52 HydrophobicContact CE2-CG 4.05Å; F30-F52 AromaticContact CE2-CZ 3.82Å; F30-F52 HydrophobicContact CE2-CZ 3.82Å; F30-F52 HydrophobicContact CZ-CE2 4.16Å; F30-F52 HydrophobicContact CZ-CZ 4.42Å; F30-A55 HydrophobicContact CB-CB 3.95Å; F30-A55 HydrophobicContact CD2-CB 4.49Å |
| 31 | L | 97.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 180 | -69.6 | 176.3 | 0 | 0 | 0 | 112.2 | V27 Y28 E34 K35 | V27-L31 HydrophobicContact CG1-CD1 3.77Å; V27-L31 HydrophobicContact CG1-CG 4.19Å; V27-L31 WeakPolarHBondContact O-CB 3.49Å; V27-L31 VanDerWaalsContact O-CG 3.25Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 2.92Å; Y28-L31 PolarHBondContact O-N 3.36Å; L31-E34 PolarHBondContact O-N 3.06Å; L31-K35 HydrophobicContact CD2-CD 4.3Å; L31-K35 VanDerWaalsContact O-CB 3.31Å; L31-K35 WeakPolarHBondContact O-CB 3.31Å; L31-K35 PolarHBondContact O-N 3.09Å |
| 32 | N | 95.4 | Very high | 96 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 176.9 | -172.3 | 59.9 | 0 | 0 | 0 | 111.6 | Y28 A29 F30 S36 | Y28-N32 WeakPolarHBondContact O-CB 3.22Å; Y28-N32 PolarHBondContact O-N 3.49Å; A29-N32 PolarHBondContact O-N 2.99Å; F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.81Å; N32-S36 WeakPolarHBondContact O-CB 3.41Å; N32-S36 PolarHBondContact O-N 3.48Å |
| 33 | Y | 95.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -78.3 | -24.5 | 179.9 | -78.6 | -84.9 | 0 | 0 | 0 | 113.6 | A29 F30 Y39 R43 L50 R54 V227 H265 | A29-Y33 VanDerWaalsContact O-CD2 3.3Å; A29-Y33 WeakPolarHBondContact O-CD2 3.5Å; A29-Y33 PolarHBondContact O-N 3.3Å; F30-Y33 PolarHBondContact O-N 2.98Å; Y33-Y39 HydrophobicContact CD1-CD1 4.14Å; Y33-Y39 AromaticContact CD1-CD2 3.59Å; Y33-Y39 HydrophobicContact CD1-CD2 3.59Å; Y33-Y39 HydrophobicContact CD1-CE1 4.11Å; Y33-Y39 AromaticContact CD1-CE2 3.54Å; Y33-Y39 HydrophobicContact CD1-CE2 3.54Å; Y33-Y39 AromaticContact CD1-CG 3.89Å; Y33-Y39 HydrophobicContact CD1-CG 3.89Å; Y33-Y39 AromaticContact CD1-CZ 3.82Å; Y33-Y39 HydrophobicContact CE1-CD1 4.14Å; Y33-Y39 AromaticContact CE1-CD2 3.92Å; Y33-Y39 HydrophobicContact CE1-CD2 3.92Å; Y33-Y39 AromaticContact CE1-CE1 3.65Å; Y33-Y39 HydrophobicContact CE1-CE1 3.65Å; Y33-Y39 AromaticContact CE1-CE2 3.37Å; Y33-Y39 HydrophobicContact CE1-CE2 3.37Å; Y33-Y39 HydrophobicContact CE1-CG 4.27Å; Y33-Y39 AromaticContact CE1-CZ 3.23Å; Y33-Y39 HydrophobicContact CG-CD2 4.36Å; Y33-Y39 HydrophobicContact CG-CE2 4.36Å; Y33-Y39 AromaticContact CZ-CZ 3.98Å; Y33-R43 WeakPolarHBondContact O-CD 3.39Å; Y33-R43 PolarHBondContact O-NH1 2.74Å; Y33-L50 HydrophobicContact CD1-CD1 4.4Å; Y33-L50 HydrophobicContact CD1-CD2 4.44Å; Y33-L50 HydrophobicContact CD1-CG 4.29Å; Y33-R54 HydrophobicContact CD1-CB 4.15Å; Y33-R54 HydrophobicContact CD1-CG 3.74Å; Y33-R54 HydrophobicContact CD2-CB 3.4Å; Y33-R54 HydrophobicContact CD2-CG 3.94Å; Y33-R54 HydrophobicContact CE1-CB 4.21Å; Y33-R54 HydrophobicContact CE1-CG 3.66Å; Y33-R54 HydrophobicContact CE2-CB 3.48Å; Y33-R54 VanDerWaalsContact CE2-CB 3.48Å; Y33-R54 HydrophobicContact CE2-CG 3.88Å; Y33-R54 HydrophobicContact CG-CB 3.75Å; Y33-R54 HydrophobicContact CG-CG 3.87Å; Y33-R54 PolarHBondContact OH-NE 3.48Å; Y33-R54 VanDerWaalsContact OH-NE 3.11Å; Y33-R54 PolarHBondContact OH-NH2 2.96Å; Y33-R54 VanDerWaalsContact OH-NH2 3.09Å; Y33-V227 HydrophobicContact CE1-CG1 4.34Å; Y33-H265 PolarHBondContact OH-CD2 3.36Å; Y33-H265 VanDerWaalsContact OH-CD2 3.31Å |
| 34 | E | 96.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -79.8 | -37.7 | 177.6 | -171.5 | 63.6 | -163.9 | 0 | 0 | 112.4 | F30 L31 R43 T48 A51 | F30-E34 HydrophobicContact CD1-CB 4.34Å; F30-E34 HydrophobicContact CE1-CB 4.16Å; F30-E34 HydrophobicContact CE1-CG 4.14Å; F30-E34 WeakPolarHBondContact O-CB 3.2Å; F30-E34 PolarHBondContact O-N 3.14Å; L31-E34 PolarHBondContact O-N 3.06Å; E34-R43 VanDerWaalsContact O-CD 3.32Å; E34-R43 WeakPolarHBondContact O-CD 3.36Å; E34-R43 VanDerWaalsContact O-CZ 3.22Å; E34-R43 PolarHBondContact O-NE 2.93Å; E34-R43 VanDerWaalsContact O-NE 3.13Å; E34-R43 PolarHBondContact O-NH1 3.36Å; E34-T48 WeakPolarHBondContact OE1-CG2 3.48Å; E34-A51 HydrophobicContact CB-CB 4.13Å |
| 35 | K | 94.8 | Very high | 95.5 | Very high | 149 Ų | 149 | 49.1 Ų | 49.1 | 65% | 0.648 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -109.4 | -20.5 | -171.1 | -61.8 | -173.6 | 174.6 | -176.1 | 0 | 115.4 | L31 D37 | L31-K35 HydrophobicContact CD2-CD 4.3Å; L31-K35 VanDerWaalsContact O-CB 3.31Å; L31-K35 WeakPolarHBondContact O-CB 3.31Å; L31-K35 PolarHBondContact O-N 3.09Å; K35-D37 PolarHBondContact O-N 3.22Å |
| 36 | S | 93.9 | Very high | 95.5 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -68.5 | 132.9 | -177.2 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | N32 K38 Y39 R43 | N32-S36 WeakPolarHBondContact O-CB 3.41Å; N32-S36 PolarHBondContact O-N 3.48Å; S36-K38 PolarHBondContact O-N 2.97Å; S36-K38 WeakPolarHBondContact OG-CB 3.34Å; S36-K38 PolarHBondContact OG-N 2.92Å; S36-Y39 PolarHBondContact O-N 2.91Å; S36-R43 VanDerWaalsContact O-CZ 3.26Å; S36-R43 PolarHBondContact O-NH1 2.98Å; S36-R43 PolarHBondContact O-NH2 3.43Å | ||
| 37 | D | 93.4 | Very high | 95.3 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -61.5 | -29 | 179.1 | -60.3 | -35.2 | 0 | 0 | 0 | 112.6 | K35 Y39 Y40 H239 | K35-D37 PolarHBondContact O-N 3.22Å; D37-Y39 PolarHBondContact O-N 2.77Å; D37-Y40 WeakPolarHBondContact O-CB 3.32Å; D37-Y40 PolarHBondContact O-N 3.23Å; D37-H239 IonicContact OD2-CE1 3.51Å; D37-H239 IonicContact OD2-NE2 2.75Å |
| 38 | K | 93.4 | Very high | 95.2 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 23% | 0.226 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -50.5 | -34 | 174.7 | -177.2 | 167.8 | -162.8 | 143.5 | 0 | 114.7 | S36 G229 Q230 E232 M235 | S36-K38 PolarHBondContact O-N 2.97Å; S36-K38 WeakPolarHBondContact OG-CB 3.34Å; S36-K38 PolarHBondContact OG-N 2.92Å; K38-G229 CarbonylContact O-C 3.52Å; K38-G229 WeakPolarHBondContact O-CA 3.49Å; K38-Q230 PolarHBondContact O-N 2.7Å; K38-E232 IonicContact NZ-OE1 3.59Å; K38-E232 PolarHBondContact NZ-OE1 3.17Å; K38-M235 VanDerWaalsContact CA-SD 3.55Å; K38-M235 HydrophobicContact CB-CE 4.16Å; K38-M235 HydrophobicContact CB-SD 4.07Å; K38-M235 HydrophobicContact CG-CE 4.34Å |
| 39 | Y | 94.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -105.9 | 13.4 | -178.2 | -60.3 | -69.8 | 0 | 0 | 0 | 112.7 | Y33 S36 D37 T42 R43 | Y33-Y39 HydrophobicContact CD1-CD1 4.14Å; Y33-Y39 AromaticContact CD1-CD2 3.59Å; Y33-Y39 HydrophobicContact CD1-CD2 3.59Å; Y33-Y39 HydrophobicContact CD1-CE1 4.11Å; Y33-Y39 AromaticContact CD1-CE2 3.54Å; Y33-Y39 HydrophobicContact CD1-CE2 3.54Å; Y33-Y39 AromaticContact CD1-CG 3.89Å; Y33-Y39 HydrophobicContact CD1-CG 3.89Å; Y33-Y39 AromaticContact CD1-CZ 3.82Å; Y33-Y39 HydrophobicContact CE1-CD1 4.14Å; Y33-Y39 AromaticContact CE1-CD2 3.92Å; Y33-Y39 HydrophobicContact CE1-CD2 3.92Å; Y33-Y39 AromaticContact CE1-CE1 3.65Å; Y33-Y39 HydrophobicContact CE1-CE1 3.65Å; Y33-Y39 AromaticContact CE1-CE2 3.37Å; Y33-Y39 HydrophobicContact CE1-CE2 3.37Å; Y33-Y39 HydrophobicContact CE1-CG 4.27Å; Y33-Y39 AromaticContact CE1-CZ 3.23Å; Y33-Y39 HydrophobicContact CG-CD2 4.36Å; Y33-Y39 HydrophobicContact CG-CE2 4.36Å; Y33-Y39 AromaticContact CZ-CZ 3.98Å; S36-Y39 PolarHBondContact O-N 2.91Å; D37-Y39 PolarHBondContact O-N 2.77Å; Y39-T42 PolarHBondContact O-N 2.97Å; Y39-R43 WeakPolarHBondContact O-CB 3.44Å; Y39-R43 WeakPolarHBondContact O-CG 3.47Å; Y39-R43 PolarHBondContact O-N 3.08Å |
| 40 | Y | 94.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52.9 | -59.4 | -179.1 | -176 | -81.3 | 0 | 0 | 0 | 111.5 | D37 T42 R43 E44 P240 | D37-Y40 WeakPolarHBondContact O-CB 3.32Å; D37-Y40 PolarHBondContact O-N 3.23Å; Y40-T42 VanDerWaalsContact C-N 3.29Å; Y40-T42 PolarHBondContact O-N 3.21Å; Y40-R43 WeakPolarHBondContact O-CA 3.39Å; Y40-R43 WeakPolarHBondContact O-CB 3.45Å; Y40-R43 PolarHBondContact O-N 2.84Å; Y40-E44 HydrophobicContact CD1-CG 4.2Å; Y40-E44 HydrophobicContact CE1-CG 3.84Å; Y40-E44 WeakPolarHBondContact CE1-OE1 3.36Å; Y40-E44 VanDerWaalsContact CZ-OE1 3.26Å; Y40-E44 PolarHBondContact O-N 3.13Å; Y40-E44 PolarHBondContact OH-OE1 2.85Å; Y40-E44 VanDerWaalsContact OH-OE1 3.06Å; Y40-P240 HydrophobicContact CD1-CB 3.71Å; Y40-P240 HydrophobicContact CD2-CB 4.24Å; Y40-P240 HydrophobicContact CE1-CB 4.49Å; Y40-P240 HydrophobicContact CG-CB 3.6Å; Y40-P240 HydrophobicContact CG-CG 4.41Å |
| 41 | Y | 93.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -34.2 | 180 | -64.3 | -60.3 | 0 | 0 | 0 | 113 | R43 E44 L137 L141 P240 W250 P260 F262 | Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.15Å; Y41-E44 WeakPolarHBondContact O-CB 3.49Å; Y41-E44 PolarHBondContact O-N 3.34Å; Y41-L137 HydrophobicContact CD1-CD1 4.49Å; Y41-L137 HydrophobicContact CD1-CD2 4.39Å; Y41-L137 HydrophobicContact CE1-CD1 4.38Å; Y41-L137 HydrophobicContact CE1-CD2 4.41Å; Y41-L141 HydrophobicContact CD1-CD1 3.86Å; Y41-L141 HydrophobicContact CD1-CD2 4.11Å; Y41-L141 HydrophobicContact CG-CD1 4.28Å; Y41-L141 HydrophobicContact CG-CD2 4.21Å; Y41-P240 HydrophobicContact CD2-CG 4.37Å; Y41-P240 HydrophobicContact CE2-CB 4.03Å; Y41-P240 HydrophobicContact CE2-CG 3.87Å; Y41-W250 AromaticContact CE1-CH2 3.91Å; Y41-W250 HydrophobicContact CE1-CH2 3.91Å; Y41-W250 AromaticContact CE1-CZ2 4Å; Y41-W250 HydrophobicContact CE1-CZ2 4Å; Y41-W250 AromaticContact CZ-CZ2 3.99Å; Y41-P260 HydrophobicContact CD2-CB 3.93Å; Y41-P260 HydrophobicContact CD2-CG 4.03Å; Y41-P260 HydrophobicContact CE2-CB 3.71Å; Y41-P260 HydrophobicContact CE2-CG 3.88Å; Y41-F262 HydrophobicContact CD2-CE1 4.07Å; Y41-F262 HydrophobicContact CD2-CZ 4.06Å; Y41-F262 HydrophobicContact CG-CE1 4.35Å; Y41-F262 HydrophobicContact CG-CZ 4.17Å |
| 42 | T | 94.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 174 | -38.2 | 0 | 0 | 0 | 0 | 111.5 | Y39 Y40 I45 L46 L50 L155 R228 | Y39-T42 PolarHBondContact O-N 2.97Å; Y40-T42 VanDerWaalsContact C-N 3.29Å; Y40-T42 PolarHBondContact O-N 3.21Å; T42-I45 PolarHBondContact O-N 3.21Å; T42-L46 HydrophobicContact CG2-CD1 4.07Å; T42-L46 HydrophobicContact CG2-CG 4.48Å; T42-L46 WeakPolarHBondContact O-CB 3.33Å; T42-L46 PolarHBondContact O-N 2.94Å; T42-L50 HydrophobicContact CG2-CD2 3.77Å; T42-L155 HydrophobicContact CG2-CD1 4.17Å; T42-R228 WeakPolarHBondContact CG2-O 3.49Å; T42-R228 PolarHBondContact OG1-O 3.04Å |
| 43 | R | 95.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 14% | 0.136 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.5 | -27.1 | 175.4 | -74.4 | -171.1 | -60.2 | -89.3 | 1.4 | 112.9 | Y33 E34 S36 Y39 Y40 Y41 I45 G47 L50 | Y33-R43 WeakPolarHBondContact O-CD 3.39Å; Y33-R43 PolarHBondContact O-NH1 2.74Å; E34-R43 VanDerWaalsContact O-CD 3.32Å; E34-R43 WeakPolarHBondContact O-CD 3.36Å; E34-R43 VanDerWaalsContact O-CZ 3.22Å; E34-R43 PolarHBondContact O-NE 2.93Å; E34-R43 VanDerWaalsContact O-NE 3.13Å; E34-R43 PolarHBondContact O-NH1 3.36Å; S36-R43 VanDerWaalsContact O-CZ 3.26Å; S36-R43 PolarHBondContact O-NH1 2.98Å; S36-R43 PolarHBondContact O-NH2 3.43Å; Y39-R43 WeakPolarHBondContact O-CB 3.44Å; Y39-R43 WeakPolarHBondContact O-CG 3.47Å; Y39-R43 PolarHBondContact O-N 3.08Å; Y40-R43 WeakPolarHBondContact O-CA 3.39Å; Y40-R43 WeakPolarHBondContact O-CB 3.45Å; Y40-R43 PolarHBondContact O-N 2.84Å; Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.15Å; R43-I45 PolarHBondContact O-N 3.49Å; R43-G47 WeakPolarHBondContact O-CA 3.46Å; R43-G47 PolarHBondContact O-N 3.29Å; R43-L50 HydrophobicContact CG-CD2 4.07Å |
| 44 | E | 94.1 | Very high | 95.2 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 39% | 0.393 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.9 | -35.2 | 172.4 | -68.7 | -61 | 151.5 | 0 | 0 | 111.5 | Y40 Y41 L137 L141 | Y40-E44 HydrophobicContact CD1-CG 4.2Å; Y40-E44 HydrophobicContact CE1-CG 3.84Å; Y40-E44 WeakPolarHBondContact CE1-OE1 3.36Å; Y40-E44 VanDerWaalsContact CZ-OE1 3.26Å; Y40-E44 PolarHBondContact O-N 3.13Å; Y40-E44 PolarHBondContact OH-OE1 2.85Å; Y40-E44 VanDerWaalsContact OH-OE1 3.06Å; Y41-E44 WeakPolarHBondContact O-CB 3.49Å; Y41-E44 PolarHBondContact O-N 3.34Å; E44-L137 HydrophobicContact CG-CD2 3.92Å; E44-L141 HydrophobicContact CB-CD1 4.41Å |
| 45 | I | 94.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -84.6 | -52.2 | 174.8 | -56.9 | 173.7 | 0 | 0 | 0 | 111.1 | T42 R43 Y126 S129 A138 L141 L155 | T42-I45 PolarHBondContact O-N 3.21Å; R43-I45 PolarHBondContact O-N 3.49Å; I45-Y126 HydrophobicContact CG2-CD1 3.66Å; I45-Y126 HydrophobicContact CG2-CE1 4.01Å; I45-S129 WeakPolarHBondContact CG2-OG 3.26Å; I45-A138 HydrophobicContact CG1-CB 4.14Å; I45-L141 HydrophobicContact CD1-CB 4.03Å; I45-L155 HydrophobicContact CD1-CD2 3.81Å; I45-L155 HydrophobicContact CD1-CG 4.13Å |
| 46 | L | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -92.4 | -15.2 | -167.4 | -65.5 | -169.6 | 0 | 0 | 0 | 114.6 | T42 T49 L50 N122 R125 Y126 | T42-L46 HydrophobicContact CG2-CD1 4.07Å; T42-L46 HydrophobicContact CG2-CG 4.48Å; T42-L46 WeakPolarHBondContact O-CB 3.33Å; T42-L46 PolarHBondContact O-N 2.94Å; L46-T49 PolarHBondContact O-OG1 3.5Å; L46-L50 HydrophobicContact CB-CB 3.94Å; L46-L50 HydrophobicContact CD1-CB 4.1Å; L46-L50 HydrophobicContact CD1-CD1 4.05Å; L46-L50 HydrophobicContact CD1-CG 4.5Å; L46-N122 HydrophobicContact CD1-CB 4.26Å; L46-N122 HydrophobicContact CD2-CB 3.76Å; L46-N122 WeakPolarHBondContact CD2-O 3.49Å; L46-R125 HydrophobicContact CD2-CB 4.19Å; L46-R125 WeakPolarHBondContact O-CD 3.36Å; L46-R125 PolarHBondContact O-NH1 2.8Å; L46-Y126 HydrophobicContact CD1-CE1 4.33Å; L46-Y126 HydrophobicContact CD1-CE2 4.03Å; L46-Y126 WeakPolarHBondContact CD1-OH 3.28Å; L46-Y126 HydrophobicContact CD2-CD1 3.91Å; L46-Y126 HydrophobicContact CD2-CD2 3.88Å; L46-Y126 HydrophobicContact CD2-CE1 3.71Å; L46-Y126 HydrophobicContact CD2-CE2 3.73Å; L46-Y126 HydrophobicContact CD2-CG 3.98Å; L46-Y126 HydrophobicContact CG-CE1 3.99Å; L46-Y126 HydrophobicContact CG-CE2 4.31Å |
| 47 | G | 94.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 24% | 0.237 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -150.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R43 T49 L50 | R43-G47 WeakPolarHBondContact O-CA 3.46Å; R43-G47 PolarHBondContact O-N 3.29Å; G47-T49 PolarHBondContact O-N 2.85Å; G47-T49 VanDerWaalsContact O-N 3.15Å; G47-L50 WeakPolarHBondContact O-CB 3.34Å; G47-L50 PolarHBondContact O-N 3.38Å |
| 48 | T | 95.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 27.5 Ų | 27.5 | 39% | 0.387 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18 | -177.6 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | E34 L50 A51 F52 | E34-T48 WeakPolarHBondContact OE1-CG2 3.48Å; T48-L50 PolarHBondContact O-N 3.03Å; T48-A51 WeakPolarHBondContact O-CB 3.43Å; T48-A51 PolarHBondContact O-N 2.98Å; T48-A51 VanDerWaalsContact O-N 3.09Å; T48-F52 WeakPolarHBondContact O-CD2 3.34Å; T48-F52 PolarHBondContact O-N 3.41Å |
| 49 | T | 96.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 25 Ų | 25 | 9% | 0.092 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70 | -21.4 | -179.5 | 52.2 | 0 | 0 | 0 | 0 | 112 | L46 G47 A53 F121 N122 R125 | L46-T49 PolarHBondContact O-OG1 3.5Å; G47-T49 PolarHBondContact O-N 2.85Å; G47-T49 VanDerWaalsContact O-N 3.15Å; T49-A53 WeakPolarHBondContact O-CB 3.38Å; T49-A53 PolarHBondContact O-N 3.47Å; T49-F121 HydrophobicContact CG2-CB 3.92Å; T49-F121 HydrophobicContact CG2-CG 4.4Å; T49-N122 VanDerWaalsContact CB-OD1 3.25Å; T49-N122 WeakPolarHBondContact CB-OD1 3.39Å; T49-N122 PolarHBondContact O-ND2 3.05Å; T49-N122 PolarHBondContact OG1-OD1 3.07Å; T49-R125 PolarHBondContact OG1-NH1 2.66Å; T49-R125 VanDerWaalsContact OG1-NH1 3.1Å |
| 50 | L | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.4 | -50.8 | 166.2 | 173.4 | 60.7 | 0 | 0 | 0 | 111 | Y33 T42 R43 L46 G47 T48 F52 A53 R54 N122 V227 | Y33-L50 HydrophobicContact CD1-CD1 4.4Å; Y33-L50 HydrophobicContact CD1-CD2 4.44Å; Y33-L50 HydrophobicContact CD1-CG 4.29Å; T42-L50 HydrophobicContact CG2-CD2 3.77Å; R43-L50 HydrophobicContact CG-CD2 4.07Å; L46-L50 HydrophobicContact CB-CB 3.94Å; L46-L50 HydrophobicContact CD1-CB 4.1Å; L46-L50 HydrophobicContact CD1-CD1 4.05Å; L46-L50 HydrophobicContact CD1-CG 4.5Å; G47-L50 WeakPolarHBondContact O-CB 3.34Å; G47-L50 PolarHBondContact O-N 3.38Å; T48-L50 PolarHBondContact O-N 3.03Å; L50-F52 PolarHBondContact O-N 3.44Å; L50-A53 PolarHBondContact O-N 3.4Å; L50-R54 HydrophobicContact CD1-CG 3.93Å; L50-R54 WeakPolarHBondContact O-CG 3.47Å; L50-R54 PolarHBondContact O-N 3.26Å; L50-N122 PolarHBondContact N-OD1 2.87Å; L50-V227 HydrophobicContact CD1-CG1 3.6Å; L50-V227 HydrophobicContact CD1-CG2 4.36Å |
| 51 | A | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F30 E34 T48 R54 A55 | F30-A51 HydrophobicContact CD2-CB 3.67Å; F30-A51 HydrophobicContact CE2-CB 3.69Å; F30-A51 HydrophobicContact CG-CB 4.13Å; F30-A51 HydrophobicContact CZ-CB 4.16Å; E34-A51 HydrophobicContact CB-CB 4.13Å; T48-A51 WeakPolarHBondContact O-CB 3.43Å; T48-A51 PolarHBondContact O-N 2.98Å; T48-A51 VanDerWaalsContact O-N 3.09Å; A51-R54 PolarHBondContact O-N 2.91Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 3.07Å |
| 52 | F | 97.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 23.3 Ų | 23.3 | 37% | 0.368 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 174.3 | -82.1 | -75.1 | 0 | 0 | 0 | 113.3 | F26 F30 T48 L50 R54 S56 I114 A118 | F26-F52 AromaticContact CZ-CD1 3.89Å; F26-F52 HydrophobicContact CZ-CD1 3.89Å; F26-F52 HydrophobicContact CZ-CE1 4.12Å; F30-F52 HydrophobicContact CE2-CD1 4.26Å; F30-F52 AromaticContact CE2-CD2 3.74Å; F30-F52 HydrophobicContact CE2-CD2 3.74Å; F30-F52 HydrophobicContact CE2-CE1 4.15Å; F30-F52 AromaticContact CE2-CE2 3.62Å; F30-F52 HydrophobicContact CE2-CE2 3.62Å; F30-F52 HydrophobicContact CE2-CG 4.05Å; F30-F52 AromaticContact CE2-CZ 3.82Å; F30-F52 HydrophobicContact CE2-CZ 3.82Å; F30-F52 HydrophobicContact CZ-CE2 4.16Å; F30-F52 HydrophobicContact CZ-CZ 4.42Å; T48-F52 WeakPolarHBondContact O-CD2 3.34Å; T48-F52 PolarHBondContact O-N 3.41Å; L50-F52 PolarHBondContact O-N 3.44Å; F52-R54 VanDerWaalsContact C-N 3.34Å; F52-R54 PolarHBondContact O-N 3.05Å; F52-S56 WeakPolarHBondContact O-CB 3.26Å; F52-S56 PolarHBondContact O-N 3.39Å; F52-S56 VanDerWaalsContact O-N 3.1Å; F52-S56 PolarHBondContact O-OG 2.93Å; F52-I114 HydrophobicContact CD1-CG2 4.48Å; F52-A118 HydrophobicContact CB-CB 4.04Å |
| 53 | A | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T49 L50 S56 A57 H115 A118 | T49-A53 WeakPolarHBondContact O-CB 3.38Å; T49-A53 PolarHBondContact O-N 3.47Å; L50-A53 PolarHBondContact O-N 3.4Å; A53-S56 PolarHBondContact O-OG 3.45Å; A53-A57 WeakPolarHBondContact O-CB 3.4Å; A53-A57 PolarHBondContact O-N 3.14Å; A53-A57 VanDerWaalsContact O-N 3.11Å; A53-H115 PolarHBondContact O-ND1 3.46Å; A53-A118 HydrophobicContact CB-CB 3.75Å |
| 54 | R | 95.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 21.7 Ų | 21.7 | 20% | 0.2 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -78.8 | -37.8 | -178.2 | -61.9 | -57.8 | -63 | -179.9 | -5.3 | 113.4 | Y33 L50 A51 F52 A57 F58 | Y33-R54 HydrophobicContact CD1-CB 4.15Å; Y33-R54 HydrophobicContact CD1-CG 3.74Å; Y33-R54 HydrophobicContact CD2-CB 3.4Å; Y33-R54 HydrophobicContact CD2-CG 3.94Å; Y33-R54 HydrophobicContact CE1-CB 4.21Å; Y33-R54 HydrophobicContact CE1-CG 3.66Å; Y33-R54 HydrophobicContact CE2-CB 3.48Å; Y33-R54 VanDerWaalsContact CE2-CB 3.48Å; Y33-R54 HydrophobicContact CE2-CG 3.88Å; Y33-R54 HydrophobicContact CG-CB 3.75Å; Y33-R54 HydrophobicContact CG-CG 3.87Å; Y33-R54 PolarHBondContact OH-NE 3.48Å; Y33-R54 VanDerWaalsContact OH-NE 3.11Å; Y33-R54 PolarHBondContact OH-NH2 2.96Å; Y33-R54 VanDerWaalsContact OH-NH2 3.09Å; L50-R54 HydrophobicContact CD1-CG 3.93Å; L50-R54 WeakPolarHBondContact O-CG 3.47Å; L50-R54 PolarHBondContact O-N 3.26Å; A51-R54 PolarHBondContact O-N 2.91Å; F52-R54 VanDerWaalsContact C-N 3.34Å; F52-R54 PolarHBondContact O-N 3.05Å; R54-A57 PolarHBondContact O-N 3.39Å; R54-F58 PolarHBondContact O-N 3.43Å |
| 55 | A | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F26 A29 F30 A51 A57 F58 C59 | F26-A55 HydrophobicContact CD1-CB 4.2Å; F26-A55 HydrophobicContact CD2-CB 3.65Å; F26-A55 HydrophobicContact CE1-CB 4.15Å; F26-A55 HydrophobicContact CE2-CB 3.61Å; F26-A55 HydrophobicContact CG-CB 3.96Å; F26-A55 HydrophobicContact CZ-CB 3.87Å; F26-A55 WeakPolarHBondContact O-CB 3.22Å; A29-A55 HydrophobicContact CB-CB 4.27Å; F30-A55 HydrophobicContact CB-CB 3.95Å; F30-A55 HydrophobicContact CD2-CB 4.49Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 3.07Å; A55-A57 PolarHBondContact O-N 2.85Å; A55-F58 PolarHBondContact O-N 3.49Å; A55-C59 PolarHBondContact O-N 2.9Å; A55-C59 PolarHBondContact O-SG 2.82Å; A55-C59 VanDerWaalsContact O-SG 3.42Å |
| 56 | S | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 176 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | F52 A53 F58 C59 L60 H115 | F52-S56 WeakPolarHBondContact O-CB 3.26Å; F52-S56 PolarHBondContact O-N 3.39Å; F52-S56 VanDerWaalsContact O-N 3.1Å; F52-S56 PolarHBondContact O-OG 2.93Å; A53-S56 PolarHBondContact O-OG 3.45Å; S56-F58 VanDerWaalsContact C-N 3.35Å; S56-F58 PolarHBondContact O-N 3.26Å; S56-C59 PolarHBondContact O-N 3.31Å; S56-L60 WeakPolarHBondContact O-CB 3.44Å; S56-L60 VanDerWaalsContact O-CG 3.31Å; S56-L60 WeakPolarHBondContact O-CG 3.34Å; S56-L60 PolarHBondContact O-N 2.96Å; S56-H115 VanDerWaalsContact OG-CA 3.28Å; S56-H115 WeakPolarHBondContact OG-CA 3.05Å; S56-H115 WeakPolarHBondContact OG-CB 3.4Å |
| 57 | A | 95.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 22.1 Ų | 22.1 | 12% | 0.116 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | A53 R54 A55 L60 N61 | A53-A57 WeakPolarHBondContact O-CB 3.4Å; A53-A57 PolarHBondContact O-N 3.14Å; A53-A57 VanDerWaalsContact O-N 3.11Å; R54-A57 PolarHBondContact O-N 3.39Å; A55-A57 PolarHBondContact O-N 2.85Å; A57-L60 WeakPolarHBondContact O-CB 3.23Å; A57-L60 PolarHBondContact O-N 2.85Å; A57-N61 PolarHBondContact O-N 3.29Å |
| 58 | F | 95.6 | Very high | 96.1 | Very high | 63 Ų | 63 | 21.7 Ų | 21.7 | 28% | 0.276 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 177.9 | -152 | -81.6 | 0 | 0 | 0 | 111.5 | L25 A29 R54 A55 S56 L60 N61 F62 W272 | L25-F58 HydrophobicContact CB-CD1 3.98Å; L25-F58 HydrophobicContact CB-CE1 4.43Å; L25-F58 HydrophobicContact CD1-CD1 4.06Å; L25-F58 HydrophobicContact CD1-CE1 4.07Å; L25-F58 HydrophobicContact CD2-CD1 3.93Å; L25-F58 HydrophobicContact CD2-CE1 3.49Å; L25-F58 VanDerWaalsContact CD2-CE1 3.49Å; L25-F58 HydrophobicContact CG-CD1 4.19Å; L25-F58 HydrophobicContact CG-CE1 4.18Å; A29-F58 HydrophobicContact CB-CB 4.03Å; A29-F58 HydrophobicContact CB-CG 4.34Å; R54-F58 PolarHBondContact O-N 3.43Å; A55-F58 PolarHBondContact O-N 3.49Å; S56-F58 VanDerWaalsContact C-N 3.35Å; S56-F58 PolarHBondContact O-N 3.26Å; F58-L60 VanDerWaalsContact C-N 3.35Å; F58-N61 PolarHBondContact O-N 3.13Å; F58-F62 PolarHBondContact O-N 2.92Å; F58-W272 HydrophobicContact CD1-CZ2 4.45Å; F58-W272 AromaticContact CE1-CH2 3.77Å; F58-W272 HydrophobicContact CE1-CH2 3.77Å; F58-W272 AromaticContact CE1-CZ2 3.66Å; F58-W272 HydrophobicContact CE1-CZ2 3.66Å; F58-W272 HydrophobicContact CE2-CZ2 4.24Å; F58-W272 HydrophobicContact CZ-CH2 4.07Å; F58-W272 AromaticContact CZ-CZ2 3.57Å; F58-W272 HydrophobicContact CZ-CZ2 3.57Å |
| 59 | C | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 173.7 | -62.2 | 0 | 0 | 0 | 0 | 112.4 | N22 A55 S56 F62 N63 F111 | N22-C59 PolarHBondContact O-SG 2.97Å; A55-C59 PolarHBondContact O-N 2.9Å; A55-C59 PolarHBondContact O-SG 2.82Å; A55-C59 VanDerWaalsContact O-SG 3.42Å; S56-C59 PolarHBondContact O-N 3.31Å; C59-F62 PolarHBondContact O-N 2.81Å; C59-N63 PolarHBondContact O-N 2.74Å; C59-N63 PolarHBondContact O-ND2 2.79Å; C59-F111 HydrophobicContact CB-CD1 3.94Å; C59-F111 HydrophobicContact CB-CD2 3.47Å; C59-F111 VanDerWaalsContact CB-CD2 3.47Å; C59-F111 HydrophobicContact CB-CE1 3.88Å; C59-F111 HydrophobicContact CB-CE2 3.39Å; C59-F111 HydrophobicContact CB-CG 3.76Å; C59-F111 HydrophobicContact CB-CZ 3.61Å |
| 60 | L | 97 | Very high | 95.6 | Very high | 13 Ų | 13 | 21 Ų | 21 | 7% | 0.068 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 173.4 | -78.3 | 168.5 | 0 | 0 | 0 | 111.3 | S56 A57 F58 F62 N63 N64 I108 F111 T112 H115 | S56-L60 WeakPolarHBondContact O-CB 3.44Å; S56-L60 VanDerWaalsContact O-CG 3.31Å; S56-L60 WeakPolarHBondContact O-CG 3.34Å; S56-L60 PolarHBondContact O-N 2.96Å; A57-L60 WeakPolarHBondContact O-CB 3.23Å; A57-L60 PolarHBondContact O-N 2.85Å; F58-L60 VanDerWaalsContact C-N 3.35Å; L60-F62 VanDerWaalsContact C-N 3.34Å; L60-F62 PolarHBondContact O-N 2.61Å; L60-N63 PolarHBondContact O-N 2.64Å; L60-N64 VanDerWaalsContact O-CB 3.26Å; L60-N64 WeakPolarHBondContact O-CB 3.39Å; L60-N64 PolarHBondContact O-N 3.36Å; L60-N64 PolarHBondContact O-ND2 3.33Å; L60-I108 HydrophobicContact CD2-CB 4.42Å; L60-I108 HydrophobicContact CD2-CG2 3.95Å; L60-I108 WeakPolarHBondContact CD2-O 3.35Å; L60-F111 HydrophobicContact CD1-CB 4.49Å; L60-F111 HydrophobicContact CD2-CB 3.87Å; L60-F111 HydrophobicContact CG-CB 3.76Å; L60-T112 WeakPolarHBondContact CD2-OG1 3.41Å; L60-H115 HydrophobicContact CD1-CB 3.92Å |
| 61 | N | 95.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 7% | 0.07 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.4 | -46 | 176.8 | -77.6 | -19.9 | 0 | 0 | 0 | 111.8 | A57 F58 N64 M65 S269 W272 | A57-N61 PolarHBondContact O-N 3.29Å; F58-N61 PolarHBondContact O-N 3.13Å; N61-N64 PolarHBondContact O-N 3.48Å; N61-M65 PolarHBondContact O-N 2.99Å; N61-S269 PolarHBondContact ND2-OG 3.36Å; N61-S269 WeakPolarHBondContact OD1-CB 3.29Å; N61-S269 PolarHBondContact OD1-OG 2.95Å; N61-W272 HydrophobicContact CB-CB 4.17Å; N61-W272 HydrophobicContact CB-CD2 3.88Å; N61-W272 HydrophobicContact CB-CG 3.65Å |
| 62 | F | 96.6 | Very high | 94.9 | Very high | 14 Ų | 14 | 23 Ų | 23 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 177 | 172.9 | -112.9 | 0 | 0 | 0 | 112.9 | W18 L21 N22 L25 F58 C59 L60 M65 M66 W272 | W18-F62 AromaticContact CD1-CE1 3.6Å; W18-F62 AromaticContact CD1-CZ 3.92Å; W18-F62 AromaticContact NE1-CE1 3.84Å; L21-F62 HydrophobicContact CB-CZ 4.48Å; L21-F62 HydrophobicContact CD2-CD2 4.34Å; L21-F62 HydrophobicContact CD2-CE1 4.16Å; L21-F62 HydrophobicContact CD2-CE2 3.5Å; L21-F62 HydrophobicContact CD2-CZ 3.4Å; L21-F62 VanDerWaalsContact CD2-CZ 3.4Å; L21-F62 HydrophobicContact CG-CE1 4.3Å; L21-F62 HydrophobicContact CG-CE2 4.33Å; L21-F62 HydrophobicContact CG-CZ 4.03Å; N22-F62 WeakPolarHBondContact ND2-CE1 3.26Å; L25-F62 HydrophobicContact CD1-CB 3.76Å; L25-F62 HydrophobicContact CD1-CD1 4.13Å; L25-F62 HydrophobicContact CD1-CD2 4.12Å; L25-F62 HydrophobicContact CD1-CG 3.72Å; F58-F62 PolarHBondContact O-N 2.92Å; C59-F62 PolarHBondContact O-N 2.81Å; L60-F62 VanDerWaalsContact C-N 3.34Å; L60-F62 PolarHBondContact O-N 2.61Å; F62-M65 HydrophobicContact CD2-CE 3.85Å; F62-M65 HydrophobicContact CE2-CE 3.99Å; F62-M65 WeakPolarHBondContact O-CB 3.5Å; F62-M65 PolarHBondContact O-N 3.36Å; F62-M66 HydrophobicContact CE2-CG 4.18Å; F62-M66 HydrophobicContact CZ-CG 4.25Å; F62-M66 WeakPolarHBondContact O-CG 3.26Å; F62-M66 PolarHBondContact O-N 2.95Å; F62-W272 HydrophobicContact CB-CZ3 4.18Å; F62-W272 HydrophobicContact CD2-CZ3 4.19Å |
| 63 | N | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.7 | -35.1 | -179.3 | -72.5 | -69.6 | 0 | 0 | 0 | 112.4 | W18 N22 C59 L60 M65 M66 I67 V104 I108 | W18-N63 WeakPolarHBondContact CZ2-OD1 3.38Å; W18-N63 PolarHBondContact NE1-OD1 2.79Å; W18-N63 VanDerWaalsContact NE1-OD1 3.09Å; N22-N63 PolarHBondContact OD1-ND2 3.49Å; C59-N63 PolarHBondContact O-N 2.74Å; C59-N63 PolarHBondContact O-ND2 2.79Å; L60-N63 PolarHBondContact O-N 2.64Å; N63-M65 VanDerWaalsContact C-N 3.31Å; N63-M65 PolarHBondContact O-N 2.58Å; N63-M66 PolarHBondContact O-N 2.72Å; N63-M66 VanDerWaalsContact O-N 3.09Å; N63-I67 PolarHBondContact O-N 3.46Å; N63-V104 HydrophobicContact CB-CG1 3.87Å; N63-V104 VanDerWaalsContact O-CG1 3.24Å; N63-V104 WeakPolarHBondContact O-CG1 3.37Å; N63-I108 HydrophobicContact CB-CD1 4.24Å; N63-I108 HydrophobicContact CB-CG1 3.64Å |
| 64 | N | 95.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.1 | -29.4 | 174.1 | -79.7 | -58.9 | 0 | 0 | 0 | 112.9 | L60 N61 M66 I67 I108 Y214 L218 | L60-N64 VanDerWaalsContact O-CB 3.26Å; L60-N64 WeakPolarHBondContact O-CB 3.39Å; L60-N64 PolarHBondContact O-N 3.36Å; L60-N64 PolarHBondContact O-ND2 3.33Å; N61-N64 PolarHBondContact O-N 3.48Å; N64-M66 PolarHBondContact O-N 2.8Å; N64-I67 WeakPolarHBondContact O-CG2 3.2Å; N64-I108 WeakPolarHBondContact OD1-CD1 3.37Å; N64-Y214 PolarHBondContact ND2-OH 3.22Å; N64-Y214 VanDerWaalsContact OD1-CE1 3.23Å; N64-Y214 WeakPolarHBondContact OD1-CE1 2.93Å; N64-Y214 PolarHBondContact OD1-OH 3.44Å; N64-L218 HydrophobicContact CB-CD2 3.69Å |
| 65 | M | 95.2 | Very high | 92.9 | Very high | 52 Ų | 52 | 23.3 Ų | 23.3 | 26% | 0.256 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -62 | -37.6 | 169 | 179.4 | -178.3 | 72.8 | 0 | 0 | 111.3 | N61 F62 N63 W272 P276 | N61-M65 PolarHBondContact O-N 2.99Å; F62-M65 HydrophobicContact CD2-CE 3.85Å; F62-M65 HydrophobicContact CE2-CE 3.99Å; F62-M65 WeakPolarHBondContact O-CB 3.5Å; F62-M65 PolarHBondContact O-N 3.36Å; N63-M65 VanDerWaalsContact C-N 3.31Å; N63-M65 PolarHBondContact O-N 2.58Å; M65-W272 HydrophobicContact CB-CB 4.42Å; M65-W272 HydrophobicContact CB-CE3 4.28Å; M65-W272 WeakPolarHBondContact CB-O 3.03Å; M65-W272 HydrophobicContact CE-CE3 4.24Å; M65-W272 HydrophobicContact CE-CZ3 4.2Å; M65-W272 VanDerWaalsContact CG-O 3.28Å; M65-W272 WeakPolarHBondContact CG-O 3.31Å; M65-W272 HydrophobicContact SD-CE3 3.81Å; M65-W272 HydrophobicContact SD-CZ3 4.26Å; M65-P276 HydrophobicContact CG-CG 4.2Å; M65-P276 WeakPolarHBondContact O-CB 3.05Å; M65-P276 WeakPolarHBondContact O-CG 3.16Å |
| 66 | M | 93.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 24.3 Ų | 24.3 | 17% | 0.167 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -85.4 | -20.5 | -174.5 | -64.3 | -62.3 | -68.1 | 0 | 0 | 114.2 | F62 N63 N64 L68 I69 P70 F100 V104 | F62-M66 HydrophobicContact CE2-CG 4.18Å; F62-M66 HydrophobicContact CZ-CG 4.25Å; F62-M66 WeakPolarHBondContact O-CG 3.26Å; F62-M66 PolarHBondContact O-N 2.95Å; N63-M66 PolarHBondContact O-N 2.72Å; N63-M66 VanDerWaalsContact O-N 3.09Å; N64-M66 PolarHBondContact O-N 2.8Å; M66-L68 VanDerWaalsContact C-N 3.35Å; M66-L68 PolarHBondContact O-N 2.77Å; M66-I69 HydrophobicContact CE-CD1 4.38Å; M66-I69 PolarHBondContact O-N 2.56Å; M66-I69 HydrophobicContact SD-CD1 3.92Å; M66-P70 WeakPolarHBondContact O-CD 3.4Å; M66-F100 HydrophobicContact CE-CE1 4.17Å; M66-F100 HydrophobicContact CE-CZ 4.34Å; M66-V104 HydrophobicContact CB-CG1 4.49Å |
| 67 | I | 95.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -66.9 | -30 | -167.4 | -166.2 | 62.8 | 0 | 0 | 0 | 114.5 | N63 N64 P70 H101 V104 A105 I108 | N63-I67 PolarHBondContact O-N 3.46Å; N64-I67 WeakPolarHBondContact O-CG2 3.2Å; I67-P70 WeakPolarHBondContact O-CD 3.3Å; I67-H101 WeakPolarHBondContact CD1-ND1 3.26Å; I67-H101 VanDerWaalsContact CD1-O 3.29Å; I67-H101 WeakPolarHBondContact CD1-O 3.48Å; I67-H101 PolarHBondContact O-ND1 2.84Å; I67-V104 HydrophobicContact CB-CG1 4.13Å; I67-V104 HydrophobicContact CD1-CB 3.89Å; I67-V104 HydrophobicContact CD1-CG1 3.76Å; I67-A105 HydrophobicContact CD1-CB 4.15Å; I67-I108 HydrophobicContact CB-CD1 4.19Å; I67-I108 HydrophobicContact CD1-CD1 4.32Å; I67-I108 HydrophobicContact CG1-CD1 4.23Å |
| 68 | L | 93.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -84.2 | -26 | -178.4 | -64.5 | -179.7 | 0 | 0 | 0 | 113.2 | M66 V71 C72 F211 P276 I277 | M66-L68 VanDerWaalsContact C-N 3.35Å; M66-L68 PolarHBondContact O-N 2.77Å; L68-V71 WeakPolarHBondContact O-CG2 3.26Å; L68-V71 PolarHBondContact O-N 3.41Å; L68-C72 PolarHBondContact O-N 2.79Å; L68-C72 PolarHBondContact O-SG 2.77Å; L68-F211 HydrophobicContact CD2-CD2 4.47Å; L68-F211 HydrophobicContact CD2-CE2 4.49Å; L68-P276 HydrophobicContact CB-CB 4.35Å; L68-P276 HydrophobicContact CD1-CB 4.46Å; L68-I277 HydrophobicContact CD1-CG1 4.19Å |
| 69 | I | 90.8 | Very high | 89.2 | Confident | 58 Ų | 58 | 32.2 Ų | 32.2 | 30% | 0.297 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -59.5 | -46.4 | -176.7 | -59.2 | 172.9 | 0 | 0 | 0 | 111.9 | M66 V71 C72 L75 | M66-I69 HydrophobicContact CE-CD1 4.38Å; M66-I69 PolarHBondContact O-N 2.56Å; M66-I69 HydrophobicContact SD-CD1 3.92Å; I69-V71 PolarHBondContact O-N 3.22Å; I69-V71 VanDerWaalsContact O-N 3.16Å; I69-C72 PolarHBondContact O-N 3.16Å; I69-L75 HydrophobicContact CG2-CD2 4.32Å |
| 70 | P | 90.4 | Very high | 87.8 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -70.5 | -12.9 | -176.4 | -17.3 | 30.9 | 0 | 0 | 0 | 113.9 | M66 I67 L76 N97 F100 H101 | M66-P70 WeakPolarHBondContact O-CD 3.4Å; I67-P70 WeakPolarHBondContact O-CD 3.3Å; P70-L76 VanDerWaalsContact O-CD1 3.27Å; P70-L76 WeakPolarHBondContact O-CD1 3.42Å; P70-N97 HydrophobicContact CB-CB 3.94Å; P70-N97 VanDerWaalsContact CB-O 3.25Å; P70-N97 WeakPolarHBondContact CB-O 3.41Å; P70-N97 WeakPolarHBondContact O-CB 3.42Å; P70-N97 PolarHBondContact O-ND2 3.46Å; P70-F100 HydrophobicContact CB-CD1 4.49Å; P70-F100 HydrophobicContact CG-CD1 3.65Å; P70-F100 HydrophobicContact CG-CE1 4.16Å; P70-H101 HydrophobicContact CB-CB 4.11Å; P70-H101 HydrophobicContact CG-CB 4.41Å |
| 71 | V | 89.8 | Confident | 86.2 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 26% | 0.261 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -97.5 | -5.9 | 177.2 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | L68 I69 R73 L98 | L68-V71 WeakPolarHBondContact O-CG2 3.26Å; L68-V71 PolarHBondContact O-N 3.41Å; I69-V71 PolarHBondContact O-N 3.22Å; I69-V71 VanDerWaalsContact O-N 3.16Å; V71-R73 PolarHBondContact O-N 2.82Å; V71-L98 HydrophobicContact CG1-CD2 4.33Å |
| 72 | C | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -79.6 | 81.9 | 174.4 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | L68 I69 N74 L75 L76 L279 E283 | L68-C72 PolarHBondContact O-N 2.79Å; L68-C72 PolarHBondContact O-SG 2.77Å; I69-C72 PolarHBondContact O-N 3.16Å; C72-N74 PolarHBondContact O-N 3.1Å; C72-L75 HydrophobicContact CB-CB 3.94Å; C72-L75 HydrophobicContact CB-CD2 4.44Å; C72-L75 WeakPolarHBondContact O-CB 3.44Å; C72-L75 PolarHBondContact O-N 3.06Å; C72-L76 WeakPolarHBondContact O-CG 3.44Å; C72-L76 PolarHBondContact O-N 3.16Å; C72-L279 HydrophobicContact CB-CD2 3.82Å; C72-L279 WeakPolarHBondContact SG-CD2 3.31Å; C72-E283 VanDerWaalsContact CA-CD 3.5Å; C72-E283 HydrophobicContact CB-CG 4.16Å | ||
| 73 | R | 81.8 | Confident | 82.6 | Confident | 75 Ų | 75 | 39.1 Ų | 39.1 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.8 | -31.5 | -174 | -47.7 | -179.4 | 173.4 | 134.2 | -8.2 | 113.8 | V71 L76 S77 E283 R287 F385 | V71-R73 PolarHBondContact O-N 2.82Å; R73-L76 PolarHBondContact O-N 3.14Å; R73-S77 VanDerWaalsContact O-CB 3.3Å; R73-S77 WeakPolarHBondContact O-CB 3.46Å; R73-S77 PolarHBondContact O-N 2.8Å; R73-S77 PolarHBondContact O-OG 3.44Å; R73-E283 PolarHBondContact N-OE1 2.8Å; R73-R287 VanDerWaalsContact CB-NH2 3.25Å; R73-F385 HydrophobicContact CB-CD1 3.98Å; R73-F385 HydrophobicContact CB-CE1 3.98Å |
| 74 | N | 82.7 | Confident | 80.2 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.3 | -42 | 176.1 | -62.3 | -51.2 | 0 | 0 | 0 | 110.4 | C72 L76 S77 F78 E283 R287 F385 | C72-N74 PolarHBondContact O-N 3.1Å; N74-L76 VanDerWaalsContact C-N 3.35Å; N74-L76 PolarHBondContact O-N 2.75Å; N74-S77 PolarHBondContact O-N 3.47Å; N74-F78 WeakPolarHBondContact O-CB 3.33Å; N74-F78 PolarHBondContact O-N 2.76Å; N74-E283 WeakPolarHBondContact CA-OE2 3.45Å; N74-E283 VanDerWaalsContact CB-OE2 3.22Å; N74-E283 WeakPolarHBondContact CB-OE2 3.49Å; N74-E283 VanDerWaalsContact N-CD 3.34Å; N74-E283 PolarHBondContact N-OE1 3.18Å; N74-E283 PolarHBondContact N-OE2 2.77Å; N74-E283 PolarHBondContact ND2-OE1 2.64Å; N74-R287 WeakPolarHBondContact ND2-CG 3.24Å; N74-F385 VanDerWaalsContact OD1-CE1 3.3Å; N74-F385 WeakPolarHBondContact OD1-CE1 3.45Å |
| 75 | L | 83.3 | Confident | 77.7 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -48 | 171.6 | 177.7 | 68.8 | 0 | 0 | 0 | 111.2 | I69 C72 S77 F78 L79 L279 E283 | I69-L75 HydrophobicContact CG2-CD2 4.32Å; C72-L75 HydrophobicContact CB-CB 3.94Å; C72-L75 HydrophobicContact CB-CD2 4.44Å; C72-L75 WeakPolarHBondContact O-CB 3.44Å; C72-L75 PolarHBondContact O-N 3.06Å; L75-S77 PolarHBondContact O-N 3.18Å; L75-F78 PolarHBondContact O-N 3.4Å; L75-L79 HydrophobicContact CD1-CD1 4.27Å; L75-L79 HydrophobicContact CD1-CG 4.32Å; L75-L79 HydrophobicContact CG-CD1 4Å; L75-L79 HydrophobicContact CG-CG 4.43Å; L75-L79 WeakPolarHBondContact O-CB 3.12Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 3.12Å; L75-L279 HydrophobicContact CD2-CD1 3.85Å; L75-L279 HydrophobicContact CD2-CD2 3.82Å; L75-L279 HydrophobicContact CD2-CG 4.43Å; L75-E283 PolarHBondContact N-OE2 3.24Å; L75-E283 VanDerWaalsContact N-OE2 3.16Å |
| 76 | L | 81.3 | Confident | 75.4 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 179.9 | -68.3 | 170.6 | 0 | 0 | 0 | 112.4 | P70 C72 R73 N74 L79 R80 L94 N97 | P70-L76 VanDerWaalsContact O-CD1 3.27Å; P70-L76 WeakPolarHBondContact O-CD1 3.42Å; C72-L76 WeakPolarHBondContact O-CG 3.44Å; C72-L76 PolarHBondContact O-N 3.16Å; R73-L76 PolarHBondContact O-N 3.14Å; N74-L76 VanDerWaalsContact C-N 3.35Å; N74-L76 PolarHBondContact O-N 2.75Å; L76-L79 PolarHBondContact O-N 2.96Å; L76-R80 VanDerWaalsContact O-CB 3.26Å; L76-R80 WeakPolarHBondContact O-CB 3.35Å; L76-R80 PolarHBondContact O-N 3.33Å; L76-L94 HydrophobicContact CD2-CD2 3.95Å; L76-N97 HydrophobicContact CD1-CB 3.7Å; L76-N97 WeakPolarHBondContact CD1-ND2 3.17Å |
| 77 | S | 74.5 | Confident | 73.5 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | R73 N74 L75 R80 G81 | R73-S77 VanDerWaalsContact O-CB 3.3Å; R73-S77 WeakPolarHBondContact O-CB 3.46Å; R73-S77 PolarHBondContact O-N 2.8Å; R73-S77 PolarHBondContact O-OG 3.44Å; N74-S77 PolarHBondContact O-N 3.47Å; L75-S77 PolarHBondContact O-N 3.18Å; S77-R80 WeakPolarHBondContact O-CB 3.49Å; S77-R80 PolarHBondContact O-N 3.37Å; S77-G81 PolarHBondContact O-N 3.47Å |
| 78 | F | 77.4 | Confident | 71.7 | Confident | 135 Ų | 135 | 61.5 Ų | 61.5 | 59% | 0.592 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -48.9 | 175.1 | 173.7 | -100.8 | 0 | 0 | 0 | 111.4 | N74 L75 R80 G81 T82 | N74-F78 WeakPolarHBondContact O-CB 3.33Å; N74-F78 PolarHBondContact O-N 2.76Å; L75-F78 PolarHBondContact O-N 3.4Å; F78-R80 VanDerWaalsContact C-N 3.26Å; F78-R80 PolarHBondContact O-N 2.91Å; F78-G81 PolarHBondContact O-N 2.79Å; F78-G81 VanDerWaalsContact O-N 3.12Å; F78-T82 WeakPolarHBondContact CZ-OG1 3.41Å; F78-T82 PolarHBondContact O-N 3.11Å; F78-T82 PolarHBondContact O-OG1 3.41Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å |
| 79 | L | 74.4 | Confident | 70 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 177 | -70.9 | 172.4 | 0 | 0 | 0 | 111.8 | L75 L76 C83 L94 | L75-L79 HydrophobicContact CD1-CD1 4.27Å; L75-L79 HydrophobicContact CD1-CG 4.32Å; L75-L79 HydrophobicContact CG-CD1 4Å; L75-L79 HydrophobicContact CG-CG 4.43Å; L75-L79 WeakPolarHBondContact O-CB 3.12Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 3.12Å; L76-L79 PolarHBondContact O-N 2.96Å; L79-C83 WeakPolarHBondContact O-CB 3.32Å; L79-C83 PolarHBondContact O-N 3.43Å; L79-C83 PolarHBondContact O-SG 3.46Å; L79-L94 HydrophobicContact CB-CD1 4.18Å |
| 80 | R | 69 | Low | 68.5 | Low | 15 Ų | 15 | 63.8 Ų | 63.8 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.1 | -178.1 | 179.9 | 167 | 125.5 | 6.2 | 112.4 | L76 S77 F78 R91 D95 T387 E390 | L76-R80 VanDerWaalsContact O-CB 3.26Å; L76-R80 WeakPolarHBondContact O-CB 3.35Å; L76-R80 PolarHBondContact O-N 3.33Å; S77-R80 WeakPolarHBondContact O-CB 3.49Å; S77-R80 PolarHBondContact O-N 3.37Å; F78-R80 VanDerWaalsContact C-N 3.26Å; F78-R80 PolarHBondContact O-N 2.91Å; R80-R91 HydrophobicContact CG-CG 4.49Å; R80-D95 IonicContact NH1-OD1 2.71Å; R80-D95 PolarHBondContact NH1-OD1 3.27Å; R80-D95 IonicContact NH1-OD2 3.07Å; R80-T387 PolarHBondContact NH2-O 2.87Å; R80-E390 IonicContact CZ-OE2 3.51Å; R80-E390 VanDerWaalsContact CZ-OE2 3.32Å; R80-E390 IonicContact NE-OE2 3.88Å; R80-E390 PolarHBondContact NE-OE2 3.42Å; R80-E390 VanDerWaalsContact NE-OE2 3.09Å; R80-E390 IonicContact NH2-OE2 3.92Å; R80-E390 PolarHBondContact NH2-OE2 3.09Å |
| 81 | G | 62.6 | Low | 67.3 | Low | 47 Ų | 47 | 64.9 Ų | 64.9 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.8 | -45.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S77 F78 C83 S84 | S77-G81 PolarHBondContact O-N 3.47Å; F78-G81 PolarHBondContact O-N 2.79Å; F78-G81 VanDerWaalsContact O-N 3.12Å; G81-C83 VanDerWaalsContact C-N 3.27Å; G81-C83 PolarHBondContact O-N 3.27Å; G81-S84 VanDerWaalsContact O-CB 3.22Å; G81-S84 WeakPolarHBondContact O-CB 3.17Å; G81-S84 PolarHBondContact O-N 3.41Å |
| 82 | T | 63.3 | Low | 66.2 | Low | 92 Ų | 92 | 64.9 Ų | 64.9 | 56% | 0.564 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.5 | -32 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | F78 S84 | F78-T82 WeakPolarHBondContact CZ-OG1 3.41Å; F78-T82 PolarHBondContact O-N 3.11Å; F78-T82 PolarHBondContact O-OG1 3.41Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; T82-S84 PolarHBondContact O-N 3.39Å; T82-S84 VanDerWaalsContact O-N 3.15Å |
| 83 | C | 53.6 | Low | 65.2 | Low | 32 Ų | 32 | 66.2 Ų | 66.2 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -76.3 | 16 | 171.8 | -70.4 | 0 | 0 | 0 | 0 | 114.1 | L79 G81 F85 C86 | L79-C83 WeakPolarHBondContact O-CB 3.32Å; L79-C83 PolarHBondContact O-N 3.43Å; L79-C83 PolarHBondContact O-SG 3.46Å; G81-C83 VanDerWaalsContact C-N 3.27Å; G81-C83 PolarHBondContact O-N 3.27Å; C83-F85 PolarHBondContact O-N 3.32Å; C83-C86 HydrophobicContact CB-CB 3.93Å; C83-C86 WeakPolarHBondContact O-CA 3.44Å; C83-C86 WeakPolarHBondContact O-CB 3.22Å; C83-C86 PolarHBondContact O-N 2.91Å |
| 84 | S | 48.2 | Very low | 64.7 | Low | 88 Ų | 88 | 64.6 Ų | 64.6 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -61.5 | -25.4 | 173.1 | -161.3 | 0 | 0 | 0 | 0 | 113.4 | G81 T82 C86 R91 | G81-S84 VanDerWaalsContact O-CB 3.22Å; G81-S84 WeakPolarHBondContact O-CB 3.17Å; G81-S84 PolarHBondContact O-N 3.41Å; T82-S84 PolarHBondContact O-N 3.39Å; T82-S84 VanDerWaalsContact O-N 3.15Å; S84-C86 VanDerWaalsContact C-N 3.34Å; S84-R91 VanDerWaalsContact CA-NH2 3.33Å; S84-R91 PolarHBondContact OG-NH2 3.22Å |
| 85 | F | 42.1 | Very low | 64.1 | Low | 209 Ų | 209 | 65.9 Ų | 65.9 | 92% | 0.917 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -82 | -13.1 | 171.8 | -161.7 | -102.9 | 0 | 0 | 0 | 113.4 | C83 | C83-F85 PolarHBondContact O-N 3.32Š|
| 86 | C | 47.2 | Very low | 63.7 | Low | 53 Ų | 53 | 67.7 Ų | 67.7 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -93.5 | 136.7 | -178.3 | -75.5 | 0 | 0 | 0 | 0 | 111.1 | C83 S84 L90 | C83-C86 HydrophobicContact CB-CB 3.93Å; C83-C86 WeakPolarHBondContact O-CA 3.44Å; C83-C86 WeakPolarHBondContact O-CB 3.22Å; C83-C86 PolarHBondContact O-N 2.91Å; S84-C86 VanDerWaalsContact C-N 3.34Å; C86-L90 HydrophobicContact CB-CB 4.31Å; C86-L90 HydrophobicContact CB-CD1 3.59Å |
| 87 | N | 53.7 | Low | 63.9 | Low | 133 Ų | 133 | 68.1 Ų | 68.1 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | trans | -48.8 | 149.8 | -179.2 | -94.1 | -33.4 | 0 | 0 | 0 | 113.7 | T89 L90 | N87-T89 PolarHBondContact O-N 3.46Å; N87-L90 PolarHBondContact O-N 3.23Å | ||
| 88 | R | 58.2 | Low | 64.4 | Low | 94 Ų | 94 | 69.8 Ų | 69.8 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40 | -26.8 | 176.6 | -64.5 | 177.6 | -179.9 | 171.7 | 2.2 | 115.2 | Q394 | R88-Q394 PolarHBondContact NH2-O 3.24Š|
| 89 | T | 56.4 | Low | 64.9 | Low | 49 Ų | 49 | 67.9 Ų | 67.9 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.9 | 179.4 | -37 | 0 | 0 | 0 | 0 | 113.9 | W9 L10 N87 P93 | W9-T89 HydrophobicContact CZ2-CG2 4.42Å; L10-T89 HydrophobicContact CB-CG2 4.04Å; L10-T89 HydrophobicContact CD1-CG2 4.37Å; N87-T89 PolarHBondContact O-N 3.46Å; T89-P93 WeakPolarHBondContact O-CD 3.19Å |
| 90 | L | 59.5 | Low | 65.7 | Low | 72 Ų | 72 | 65.6 Ų | 65.6 | 38% | 0.377 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -20.5 | -175.6 | -80 | 161.9 | 0 | 0 | 0 | 114.1 | L10 C86 N87 P93 | L10-L90 HydrophobicContact CD1-CD2 3.9Å; L10-L90 HydrophobicContact CD1-CG 4.38Å; L10-L90 HydrophobicContact CD2-CD2 3.8Å; C86-L90 HydrophobicContact CB-CB 4.31Å; C86-L90 HydrophobicContact CB-CD1 3.59Å; N87-L90 PolarHBondContact O-N 3.23Å; L90-P93 WeakPolarHBondContact O-CD 3.25Å |
| 91 | R | 66.4 | Low | 66.9 | Low | 29 Ų | 29 | 66.4 Ų | 66.4 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.9 | -39.2 | 177.1 | -71.4 | -176.8 | 177.2 | 173.5 | -1.1 | 113.1 | R80 S84 P93 L94 D95 D391 | R80-R91 HydrophobicContact CG-CG 4.49Å; S84-R91 VanDerWaalsContact CA-NH2 3.33Å; S84-R91 PolarHBondContact OG-NH2 3.22Å; R91-P93 VanDerWaalsContact C-CD 3.48Å; R91-L94 WeakPolarHBondContact O-CB 3.42Å; R91-L94 PolarHBondContact O-N 2.99Å; R91-D95 PolarHBondContact O-N 3.22Å; R91-D391 IonicContact NH1-OD1 3.05Å; R91-D391 PolarHBondContact NH1-OD1 3.02Å; R91-D391 VanDerWaalsContact NH1-OD1 3.13Å |
| 92 | K | 65.8 | Low | 68.4 | Low | 43 Ų | 43 | 68.2 Ų | 68.2 | 19% | 0.187 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.4 | -38.8 | -175.3 | -70 | -177.1 | 178.4 | 180 | 0 | 115.7 | L94 D95 H96 | K92-L94 VanDerWaalsContact C-N 3.33Å; K92-D95 PolarHBondContact O-N 3.16Å; K92-H96 PolarHBondContact O-ND1 3.39Å |
| 93 | P | 68.2 | Low | 69.9 | Low | 28 Ų | 28 | 67 Ų | 67 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 174.6 | -17.2 | 25.7 | 0 | 0 | 0 | 113 | L10 T89 L90 R91 D95 H96 | L10-P93 HydrophobicContact CD2-CG 3.45Å; L10-P93 VanDerWaalsContact CD2-CG 3.45Å; T89-P93 WeakPolarHBondContact O-CD 3.19Å; L90-P93 WeakPolarHBondContact O-CD 3.25Å; R91-P93 VanDerWaalsContact C-CD 3.48Å; P93-D95 VanDerWaalsContact C-N 3.26Å; P93-D95 PolarHBondContact O-N 2.85Å; P93-H96 PolarHBondContact O-N 3.36Å |
| 94 | L | 71.6 | Confident | 72 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 179.6 | -61.5 | 175 | 0 | 0 | 0 | 111.4 | L76 L79 R91 K92 H96 N97 | L76-L94 HydrophobicContact CD2-CD2 3.95Å; L79-L94 HydrophobicContact CB-CD1 4.18Å; R91-L94 WeakPolarHBondContact O-CB 3.42Å; R91-L94 PolarHBondContact O-N 2.99Å; K92-L94 VanDerWaalsContact C-N 3.33Å; L94-H96 PolarHBondContact O-N 3.31Å; L94-N97 VanDerWaalsContact O-CB 3.27Å; L94-N97 WeakPolarHBondContact O-CB 3.43Å; L94-N97 PolarHBondContact O-N 2.85Å |
| 95 | D | 69.1 | Low | 74.3 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.6 | 176.4 | -58.5 | -34 | 0 | 0 | 0 | 113.2 | R80 R91 K92 P93 V388 | R80-D95 IonicContact NH1-OD1 2.71Å; R80-D95 PolarHBondContact NH1-OD1 3.27Å; R80-D95 IonicContact NH1-OD2 3.07Å; R91-D95 PolarHBondContact O-N 3.22Å; K92-D95 PolarHBondContact O-N 3.16Å; P93-D95 VanDerWaalsContact C-N 3.26Å; P93-D95 PolarHBondContact O-N 2.85Å; D95-V388 HydrophobicContact CB-CG2 4.27Å |
| 96 | H | 76.2 | Confident | 76.9 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 39% | 0.389 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 14.4 | 175.5 | -68.2 | 71.6 | 0 | 0 | 0 | 112.7 | K92 P93 L94 L98 I99 F100 | K92-H96 PolarHBondContact O-ND1 3.39Å; P93-H96 PolarHBondContact O-N 3.36Å; L94-H96 PolarHBondContact O-N 3.31Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 2.67Å; H96-I99 HydrophobicContact CB-CD1 4.46Å; H96-I99 WeakPolarHBondContact O-CB 3.49Å; H96-I99 PolarHBondContact O-N 3.36Å; H96-F100 PolarHBondContact O-N 3.37Å |
| 97 | N | 84.3 | Confident | 79.3 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -47.7 | -47.2 | 179.5 | 64 | -26.7 | 0 | 0 | 0 | 114 | P70 L76 L94 I99 F100 H101 | P70-N97 HydrophobicContact CB-CB 3.94Å; P70-N97 VanDerWaalsContact CB-O 3.25Å; P70-N97 WeakPolarHBondContact CB-O 3.41Å; P70-N97 WeakPolarHBondContact O-CB 3.42Å; P70-N97 PolarHBondContact O-ND2 3.46Å; L76-N97 HydrophobicContact CD1-CB 3.7Å; L76-N97 WeakPolarHBondContact CD1-ND2 3.17Å; L94-N97 VanDerWaalsContact O-CB 3.27Å; L94-N97 WeakPolarHBondContact O-CB 3.43Å; L94-N97 PolarHBondContact O-N 2.85Å; N97-I99 VanDerWaalsContact C-N 3.31Å; N97-I99 PolarHBondContact O-N 3.46Å; N97-F100 PolarHBondContact O-N 2.86Å; N97-H101 PolarHBondContact O-N 2.91Å |
| 98 | L | 86.1 | Confident | 81.4 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 40% | 0.398 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.9 | -25.2 | -178.4 | -65.9 | -178.8 | 0 | 0 | 0 | 112.9 | V71 H96 K102 | V71-L98 HydrophobicContact CG1-CD2 4.33Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-L98 PolarHBondContact O-N 2.67Å; L98-K102 WeakPolarHBondContact O-CG 3.41Å; L98-K102 PolarHBondContact O-N 2.99Å |
| 99 | I | 87.9 | Confident | 83.3 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 48% | 0.482 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.8 | -44.3 | 171.6 | -67 | 163.7 | 0 | 0 | 0 | 108.8 | H96 N97 K102 L103 | H96-I99 HydrophobicContact CB-CD1 4.46Å; H96-I99 WeakPolarHBondContact O-CB 3.49Å; H96-I99 PolarHBondContact O-N 3.36Å; N97-I99 VanDerWaalsContact C-N 3.31Å; N97-I99 PolarHBondContact O-N 3.46Å; I99-K102 PolarHBondContact O-N 2.77Å; I99-L103 HydrophobicContact CG2-CD1 4.36Å; I99-L103 WeakPolarHBondContact O-CG 3.01Å; I99-L103 PolarHBondContact O-N 2.83Å |
| 100 | F | 91.2 | Very high | 85.3 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.9 | -177.8 | -117.2 | 0 | 0 | 0 | 112.2 | F14 L15 W18 M66 P70 H96 N97 K102 L103 V104 | F14-F100 HydrophobicContact CE1-CD1 4.11Å; F14-F100 AromaticContact CE1-CD2 3.8Å; F14-F100 HydrophobicContact CE1-CD2 3.8Å; F14-F100 AromaticContact CE1-CE1 3.94Å; F14-F100 HydrophobicContact CE1-CE1 3.94Å; F14-F100 AromaticContact CE1-CE2 3.6Å; F14-F100 HydrophobicContact CE1-CE2 3.6Å; F14-F100 HydrophobicContact CE1-CG 4.06Å; F14-F100 AromaticContact CE1-CZ 3.68Å; F14-F100 HydrophobicContact CE1-CZ 3.68Å; F14-F100 HydrophobicContact CZ-CD1 4.42Å; F14-F100 AromaticContact CZ-CE1 3.92Å; F14-F100 HydrophobicContact CZ-CE1 3.92Å; F14-F100 HydrophobicContact CZ-CE2 4.2Å; F14-F100 AromaticContact CZ-CZ 3.8Å; F14-F100 HydrophobicContact CZ-CZ 3.8Å; L15-F100 HydrophobicContact CD2-CD2 3.98Å; L15-F100 HydrophobicContact CD2-CE2 4.43Å; W18-F100 HydrophobicContact CB-CE2 4.42Å; W18-F100 AromaticContact CD1-CZ 3.99Å; W18-F100 AromaticContact CD2-CE2 3.83Å; W18-F100 HydrophobicContact CD2-CE2 3.83Å; W18-F100 HydrophobicContact CD2-CZ 4.41Å; W18-F100 HydrophobicContact CE3-CE2 4.23Å; W18-F100 AromaticContact CG-CE2 3.88Å; W18-F100 HydrophobicContact CG-CE2 3.88Å; W18-F100 HydrophobicContact CG-CZ 4.12Å; M66-F100 HydrophobicContact CE-CE1 4.17Å; M66-F100 HydrophobicContact CE-CZ 4.34Å; P70-F100 HydrophobicContact CB-CD1 4.49Å; P70-F100 HydrophobicContact CG-CD1 3.65Å; P70-F100 HydrophobicContact CG-CE1 4.16Å; H96-F100 PolarHBondContact O-N 3.37Å; N97-F100 PolarHBondContact O-N 2.86Å; F100-K102 VanDerWaalsContact C-N 3.27Å; F100-K102 PolarHBondContact O-N 3.44Å; F100-L103 PolarHBondContact O-N 3.13Å; F100-L103 VanDerWaalsContact O-N 3.07Å; F100-V104 HydrophobicContact CD1-CG2 4.23Å; F100-V104 HydrophobicContact CD2-CG2 4.15Å; F100-V104 HydrophobicContact CE1-CG2 3.8Å; F100-V104 HydrophobicContact CE2-CG2 3.71Å; F100-V104 HydrophobicContact CG-CG2 4.39Å; F100-V104 HydrophobicContact CZ-CG2 3.52Å; F100-V104 WeakPolarHBondContact O-CG2 3.48Å; F100-V104 PolarHBondContact O-N 2.84Å |
| 101 | H | 94.1 | Very high | 87.2 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.2 | -44.4 | 172.9 | 176.6 | 84 | 0 | 0 | 0 | 112.4 | I67 P70 N97 V104 A105 H208 | I67-H101 WeakPolarHBondContact CD1-ND1 3.26Å; I67-H101 VanDerWaalsContact CD1-O 3.29Å; I67-H101 WeakPolarHBondContact CD1-O 3.48Å; I67-H101 PolarHBondContact O-ND1 2.84Å; P70-H101 HydrophobicContact CB-CB 4.11Å; P70-H101 HydrophobicContact CG-CB 4.41Å; N97-H101 PolarHBondContact O-N 2.91Å; H101-V104 PolarHBondContact O-N 3.38Å; H101-A105 WeakPolarHBondContact O-CB 3.26Å; H101-A105 PolarHBondContact O-N 2.94Å; H101-H208 AromaticContact NE2-NE2 3.99Å |
| 102 | K | 94.4 | Very high | 88.7 | Confident | 86 Ų | 86 | 48.3 Ų | 48.3 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 177.1 | -68.2 | 170.2 | -174 | 177.8 | 0 | 112.6 | L98 I99 F100 A105 Y106 | L98-K102 WeakPolarHBondContact O-CG 3.41Å; L98-K102 PolarHBondContact O-N 2.99Å; I99-K102 PolarHBondContact O-N 2.77Å; F100-K102 VanDerWaalsContact C-N 3.27Å; F100-K102 PolarHBondContact O-N 3.44Å; K102-A105 PolarHBondContact O-N 2.98Å; K102-Y106 HydrophobicContact CB-CE2 4.29Å; K102-Y106 WeakPolarHBondContact O-CD2 3.37Å; K102-Y106 VanDerWaalsContact O-CG 3.32Å; K102-Y106 PolarHBondContact O-N 3.25Å |
| 103 | L | 94.7 | Very high | 90.2 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.7 | -68.7 | 173.8 | 0 | 0 | 0 | 111.5 | L15 W18 I99 F100 Y106 M107 | L15-L103 HydrophobicContact CD2-CD1 3.78Å; W18-L103 HydrophobicContact CH2-CB 4.31Å; W18-L103 HydrophobicContact CZ3-CB 4.47Å; I99-L103 HydrophobicContact CG2-CD1 4.36Å; I99-L103 WeakPolarHBondContact O-CG 3.01Å; I99-L103 PolarHBondContact O-N 2.83Å; F100-L103 PolarHBondContact O-N 3.13Å; F100-L103 VanDerWaalsContact O-N 3.07Å; L103-Y106 PolarHBondContact O-N 3.1Å; L103-M107 PolarHBondContact O-N 3.35Å |
| 104 | V | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.4 | 178 | 0 | 0 | 0 | 0 | 110.6 | W18 N63 M66 I67 F100 H101 Y106 M107 I108 | W18-V104 HydrophobicContact CZ2-CG2 4.03Å; N63-V104 HydrophobicContact CB-CG1 3.87Å; N63-V104 VanDerWaalsContact O-CG1 3.24Å; N63-V104 WeakPolarHBondContact O-CG1 3.37Å; M66-V104 HydrophobicContact CB-CG1 4.49Å; I67-V104 HydrophobicContact CB-CG1 4.13Å; I67-V104 HydrophobicContact CD1-CB 3.89Å; I67-V104 HydrophobicContact CD1-CG1 3.76Å; F100-V104 HydrophobicContact CD1-CG2 4.23Å; F100-V104 HydrophobicContact CD2-CG2 4.15Å; F100-V104 HydrophobicContact CE1-CG2 3.8Å; F100-V104 HydrophobicContact CE2-CG2 3.71Å; F100-V104 HydrophobicContact CG-CG2 4.39Å; F100-V104 HydrophobicContact CZ-CG2 3.52Å; F100-V104 WeakPolarHBondContact O-CG2 3.48Å; F100-V104 PolarHBondContact O-N 2.84Å; H101-V104 PolarHBondContact O-N 3.38Å; V104-Y106 PolarHBondContact O-N 3.07Å; V104-M107 WeakPolarHBondContact O-CB 3.23Å; V104-M107 PolarHBondContact O-N 3.43Å; V104-I108 HydrophobicContact CG1-CD1 4.11Å; V104-I108 WeakPolarHBondContact O-CG1 3.29Å; V104-I108 PolarHBondContact O-N 3.09Å |
| 105 | A | 97 | Very high | 92.9 | Very high | 28 Ų | 28 | 49 Ų | 49 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I67 H101 K102 M107 I108 C109 | I67-A105 HydrophobicContact CD1-CB 4.15Å; H101-A105 WeakPolarHBondContact O-CB 3.26Å; H101-A105 PolarHBondContact O-N 2.94Å; K102-A105 PolarHBondContact O-N 2.98Å; A105-M107 VanDerWaalsContact C-N 3.31Å; A105-M107 PolarHBondContact O-N 3.02Å; A105-I108 WeakPolarHBondContact O-CB 3.48Å; A105-I108 PolarHBondContact O-N 3.12Å; A105-C109 PolarHBondContact O-N 2.95Å; A105-C109 PolarHBondContact O-SG 3.09Å |
| 106 | Y | 96.6 | Very high | 94.2 | Very high | 142 Ų | 142 | 49.2 Ų | 49.2 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 175 | -63.7 | -41.4 | 0 | 0 | 0 | 112.3 | K102 L103 V104 I108 C109 V110 | K102-Y106 HydrophobicContact CB-CE2 4.29Å; K102-Y106 WeakPolarHBondContact O-CD2 3.37Å; K102-Y106 VanDerWaalsContact O-CG 3.32Å; K102-Y106 PolarHBondContact O-N 3.25Å; L103-Y106 PolarHBondContact O-N 3.1Å; V104-Y106 PolarHBondContact O-N 3.07Å; Y106-I108 VanDerWaalsContact C-N 3.34Å; Y106-C109 WeakPolarHBondContact O-CB 3.44Å; Y106-C109 PolarHBondContact O-N 2.77Å; Y106-V110 WeakPolarHBondContact O-CG2 3.46Å; Y106-V110 PolarHBondContact O-N 3.3Å |
| 107 | M | 97.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 175.6 | -165.7 | 62.1 | 74.1 | 0 | 0 | 111.8 | W18 L19 L103 V104 A105 C109 V110 F111 | W18-M107 HydrophobicContact CH2-CB 4Å; W18-M107 HydrophobicContact CH2-CE 3.64Å; W18-M107 HydrophobicContact CH2-CG 4.29Å; W18-M107 HydrophobicContact CZ2-CB 3.82Å; W18-M107 HydrophobicContact CZ2-CE 4.17Å; W18-M107 HydrophobicContact CZ2-CG 4Å; W18-M107 HydrophobicContact CZ3-CE 4.26Å; L19-M107 HydrophobicContact CD2-CE 3.66Å; L103-M107 PolarHBondContact O-N 3.35Å; V104-M107 WeakPolarHBondContact O-CB 3.23Å; V104-M107 PolarHBondContact O-N 3.43Å; A105-M107 VanDerWaalsContact C-N 3.31Å; A105-M107 PolarHBondContact O-N 3.02Å; M107-C109 VanDerWaalsContact C-N 3.34Å; M107-C109 PolarHBondContact O-N 2.76Å; M107-V110 PolarHBondContact O-N 3.1Å; M107-F111 HydrophobicContact CG-CD2 3.69Å; M107-F111 HydrophobicContact CG-CE2 3.48Å; M107-F111 VanDerWaalsContact CG-CE2 3.48Å; M107-F111 WeakPolarHBondContact O-CD2 3.44Å; M107-F111 PolarHBondContact O-N 3.14Å; M107-F111 HydrophobicContact SD-CD2 3.93Å; M107-F111 HydrophobicContact SD-CE2 3.37Å; M107-F111 WeakPolarHBondContact SD-CE2 3.38Å; M107-F111 HydrophobicContact SD-CZ 4.06Å |
| 108 | I | 98.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 172.6 | -68.8 | 164.7 | 0 | 0 | 0 | 110.3 | L60 N63 N64 I67 V104 A105 Y106 V110 T112 L185 | L60-I108 HydrophobicContact CD2-CB 4.42Å; L60-I108 HydrophobicContact CD2-CG2 3.95Å; L60-I108 WeakPolarHBondContact CD2-O 3.35Å; N63-I108 HydrophobicContact CB-CD1 4.24Å; N63-I108 HydrophobicContact CB-CG1 3.64Å; N64-I108 WeakPolarHBondContact OD1-CD1 3.37Å; I67-I108 HydrophobicContact CB-CD1 4.19Å; I67-I108 HydrophobicContact CD1-CD1 4.32Å; I67-I108 HydrophobicContact CG1-CD1 4.23Å; V104-I108 HydrophobicContact CG1-CD1 4.11Å; V104-I108 WeakPolarHBondContact O-CG1 3.29Å; V104-I108 PolarHBondContact O-N 3.09Å; A105-I108 WeakPolarHBondContact O-CB 3.48Å; A105-I108 PolarHBondContact O-N 3.12Å; Y106-I108 VanDerWaalsContact C-N 3.34Å; I108-V110 PolarHBondContact O-N 3.06Å; I108-T112 VanDerWaalsContact O-CB 3.23Å; I108-T112 WeakPolarHBondContact O-CB 3.44Å; I108-T112 PolarHBondContact O-N 2.88Å; I108-T112 PolarHBondContact O-OG1 3.29Å; I108-L185 HydrophobicContact CG2-CD1 4.36Å; I108-L185 HydrophobicContact CG2-CD2 4.2Å |
| 109 | C | 98 | Very high | 96.2 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 177.2 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | A105 Y106 M107 T112 A113 | A105-C109 PolarHBondContact O-N 2.95Å; A105-C109 PolarHBondContact O-SG 3.09Å; Y106-C109 WeakPolarHBondContact O-CB 3.44Å; Y106-C109 PolarHBondContact O-N 2.77Å; M107-C109 VanDerWaalsContact C-N 3.34Å; M107-C109 PolarHBondContact O-N 2.76Å; C109-T112 PolarHBondContact O-N 3.38Å; C109-A113 PolarHBondContact O-N 2.88Å |
| 110 | V | 97.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -51.6 | 179.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | Y106 M107 I108 T112 A113 I114 | Y106-V110 WeakPolarHBondContact O-CG2 3.46Å; Y106-V110 PolarHBondContact O-N 3.3Å; M107-V110 PolarHBondContact O-N 3.1Å; I108-V110 PolarHBondContact O-N 3.06Å; V110-T112 VanDerWaalsContact C-N 3.31Å; V110-T112 PolarHBondContact O-N 3.26Å; V110-A113 PolarHBondContact O-N 3.05Å; V110-I114 HydrophobicContact CG1-CD1 4.04Å; V110-I114 WeakPolarHBondContact O-CG1 3.35Å; V110-I114 PolarHBondContact O-N 3.35Å; V110-I114 VanDerWaalsContact O-N 3.08Å |
| 111 | F | 98.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.9 | -29.7 | 179.1 | -71.4 | -58.2 | 0 | 0 | 0 | 112.8 | F26 C59 L60 M107 I114 H115 | F26-F111 HydrophobicContact CD2-CD1 4.3Å; F26-F111 AromaticContact CD2-CE1 3.63Å; F26-F111 HydrophobicContact CD2-CE1 3.63Å; F26-F111 HydrophobicContact CD2-CZ 4.46Å; F26-F111 HydrophobicContact CE2-CD1 4.46Å; F26-F111 HydrophobicContact CE2-CE1 4.07Å; C59-F111 HydrophobicContact CB-CD1 3.94Å; C59-F111 HydrophobicContact CB-CD2 3.47Å; C59-F111 VanDerWaalsContact CB-CD2 3.47Å; C59-F111 HydrophobicContact CB-CE1 3.88Å; C59-F111 HydrophobicContact CB-CE2 3.39Å; C59-F111 HydrophobicContact CB-CG 3.76Å; C59-F111 HydrophobicContact CB-CZ 3.61Å; L60-F111 HydrophobicContact CD1-CB 4.49Å; L60-F111 HydrophobicContact CD2-CB 3.87Å; L60-F111 HydrophobicContact CG-CB 3.76Å; M107-F111 HydrophobicContact CG-CD2 3.69Å; M107-F111 HydrophobicContact CG-CE2 3.48Å; M107-F111 VanDerWaalsContact CG-CE2 3.48Å; M107-F111 WeakPolarHBondContact O-CD2 3.44Å; M107-F111 PolarHBondContact O-N 3.14Å; M107-F111 HydrophobicContact SD-CD2 3.93Å; M107-F111 HydrophobicContact SD-CE2 3.37Å; M107-F111 WeakPolarHBondContact SD-CE2 3.38Å; M107-F111 HydrophobicContact SD-CZ 4.06Å; F111-I114 HydrophobicContact CD1-CD1 4.11Å; F111-I114 HydrophobicContact CE1-CD1 4.5Å; F111-I114 PolarHBondContact O-N 3.16Å; F111-H115 WeakPolarHBondContact O-CB 3.18Å; F111-H115 PolarHBondContact O-N 2.96Å |
| 112 | T | 98.2 | Very high | 96.8 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 172.2 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | L60 I108 C109 V110 H115 V116 L185 | L60-T112 WeakPolarHBondContact CD2-OG1 3.41Å; I108-T112 VanDerWaalsContact O-CB 3.23Å; I108-T112 WeakPolarHBondContact O-CB 3.44Å; I108-T112 PolarHBondContact O-N 2.88Å; I108-T112 PolarHBondContact O-OG1 3.29Å; C109-T112 PolarHBondContact O-N 3.38Å; V110-T112 VanDerWaalsContact C-N 3.31Å; V110-T112 PolarHBondContact O-N 3.26Å; T112-H115 PolarHBondContact O-N 3.44Å; T112-V116 HydrophobicContact CG2-CG2 4.19Å; T112-V116 WeakPolarHBondContact O-CB 3.45Å; T112-V116 VanDerWaalsContact O-CG2 3.29Å; T112-V116 WeakPolarHBondContact O-CG2 3.12Å; T112-V116 PolarHBondContact O-N 2.85Å; T112-L185 HydrophobicContact CG2-CD2 4Å |
| 113 | A | 98 | Very high | 96.8 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C109 V110 H115 V116 I117 | C109-A113 PolarHBondContact O-N 2.88Å; V110-A113 PolarHBondContact O-N 3.05Å; A113-H115 VanDerWaalsContact C-N 3.31Å; A113-H115 PolarHBondContact O-N 3.11Å; A113-V116 PolarHBondContact O-N 3.18Å; A113-I117 WeakPolarHBondContact O-CB 3.45Å; A113-I117 WeakPolarHBondContact O-CD1 3.33Å; A113-I117 WeakPolarHBondContact O-CG1 3.5Å; A113-I117 PolarHBondContact O-N 3.42Å |
| 114 | I | 98.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.8 | -64 | 167.7 | 0 | 0 | 0 | 110.6 | F52 V110 F111 A118 | F52-I114 HydrophobicContact CD1-CG2 4.48Å; V110-I114 HydrophobicContact CG1-CD1 4.04Å; V110-I114 WeakPolarHBondContact O-CG1 3.35Å; V110-I114 PolarHBondContact O-N 3.35Å; V110-I114 VanDerWaalsContact O-N 3.08Å; F111-I114 HydrophobicContact CD1-CD1 4.11Å; F111-I114 HydrophobicContact CE1-CD1 4.5Å; F111-I114 PolarHBondContact O-N 3.16Å; I114-A118 VanDerWaalsContact O-CB 3.28Å; I114-A118 WeakPolarHBondContact O-CB 3.21Å; I114-A118 PolarHBondContact O-N 3.18Å |
| 115 | H | 97.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | -179.3 | -176.7 | 74.1 | 0 | 0 | 0 | 112.3 | A53 S56 L60 F111 T112 A113 A118 H119 H221 | A53-H115 PolarHBondContact O-ND1 3.46Å; S56-H115 VanDerWaalsContact OG-CA 3.28Å; S56-H115 WeakPolarHBondContact OG-CA 3.05Å; S56-H115 WeakPolarHBondContact OG-CB 3.4Å; L60-H115 HydrophobicContact CD1-CB 3.92Å; F111-H115 WeakPolarHBondContact O-CB 3.18Å; F111-H115 PolarHBondContact O-N 2.96Å; T112-H115 PolarHBondContact O-N 3.44Å; A113-H115 VanDerWaalsContact C-N 3.31Å; A113-H115 PolarHBondContact O-N 3.11Å; H115-A118 PolarHBondContact O-N 2.91Å; H115-H119 AromaticContact CD2-CD2 3.76Å; H115-H119 AromaticContact CE1-CD2 3.22Å; H115-H119 PolarHBondContact CE1-CD2 3.38Å; H115-H119 AromaticContact CE1-NE2 3.05Å; H115-H119 PolarHBondContact CE1-NE2 3.06Å; H115-H119 AromaticContact CG-CD2 3.97Å; H115-H119 AromaticContact ND1-CD2 3.65Å; H115-H119 AromaticContact ND1-NE2 3.76Å; H115-H119 AromaticContact NE2-CD2 3.29Å; H115-H119 PolarHBondContact NE2-CD2 2.89Å; H115-H119 VanDerWaalsContact NE2-CD2 3.29Å; H115-H119 AromaticContact NE2-NE2 3.47Å; H115-H119 PolarHBondContact NE2-NE2 3.11Å; H115-H119 PolarHBondContact O-CD2 2.75Å; H115-H119 PolarHBondContact O-N 2.86Å; H115-H221 AromaticContact NE2-NE2 3.7Å |
| 116 | V | 96.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 178.7 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | T112 A113 A118 H119 L120 | T112-V116 HydrophobicContact CG2-CG2 4.19Å; T112-V116 WeakPolarHBondContact O-CB 3.45Å; T112-V116 VanDerWaalsContact O-CG2 3.29Å; T112-V116 WeakPolarHBondContact O-CG2 3.12Å; T112-V116 PolarHBondContact O-N 2.85Å; A113-V116 PolarHBondContact O-N 3.18Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 2.76Å; V116-H119 PolarHBondContact O-N 2.77Å; V116-L120 HydrophobicContact CG1-CD1 4.23Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CG 3.21Å; V116-L120 PolarHBondContact O-N 2.85Å |
| 117 | I | 96.9 | Very high | 96.5 | Very high | 92 Ų | 92 | 44 Ų | 44 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 178.8 | -68.8 | 167.3 | 0 | 0 | 0 | 110.6 | A113 H119 L120 F121 | A113-I117 WeakPolarHBondContact O-CB 3.45Å; A113-I117 WeakPolarHBondContact O-CD1 3.33Å; A113-I117 WeakPolarHBondContact O-CG1 3.5Å; A113-I117 PolarHBondContact O-N 3.42Å; I117-H119 VanDerWaalsContact C-N 3.32Å; I117-H119 PolarHBondContact O-N 2.8Å; I117-L120 PolarHBondContact O-N 3.02Å; I117-F121 HydrophobicContact CG2-CD2 3.91Å; I117-F121 HydrophobicContact CG2-CE2 3.61Å; I117-F121 WeakPolarHBondContact O-CD2 3.34Å; I117-F121 PolarHBondContact O-N 2.8Å; I117-F121 VanDerWaalsContact O-N 3.15Å |
| 118 | A | 97.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F52 A53 I114 H115 V116 F121 N122 | F52-A118 HydrophobicContact CB-CB 4.04Å; A53-A118 HydrophobicContact CB-CB 3.75Å; I114-A118 VanDerWaalsContact O-CB 3.28Å; I114-A118 WeakPolarHBondContact O-CB 3.21Å; I114-A118 PolarHBondContact O-N 3.18Å; H115-A118 PolarHBondContact O-N 2.91Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-A118 PolarHBondContact O-N 2.76Å; A118-F121 PolarHBondContact O-N 2.79Å; A118-N122 PolarHBondContact O-N 2.98Å; A118-N122 PolarHBondContact O-ND2 2.83Å |
| 119 | H | 95 | Very high | 96 | Very high | 39 Ų | 39 | 50 Ų | 50 | 18% | 0.181 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 175.3 | -86.9 | -66.7 | 0 | 0 | 0 | 113.5 | H115 V116 I117 F121 N122 F123 | H115-H119 AromaticContact CD2-CD2 3.76Å; H115-H119 AromaticContact CE1-CD2 3.22Å; H115-H119 PolarHBondContact CE1-CD2 3.38Å; H115-H119 AromaticContact CE1-NE2 3.05Å; H115-H119 PolarHBondContact CE1-NE2 3.06Å; H115-H119 AromaticContact CG-CD2 3.97Å; H115-H119 AromaticContact ND1-CD2 3.65Å; H115-H119 AromaticContact ND1-NE2 3.76Å; H115-H119 AromaticContact NE2-CD2 3.29Å; H115-H119 PolarHBondContact NE2-CD2 2.89Å; H115-H119 VanDerWaalsContact NE2-CD2 3.29Å; H115-H119 AromaticContact NE2-NE2 3.47Å; H115-H119 PolarHBondContact NE2-NE2 3.11Å; H115-H119 PolarHBondContact O-CD2 2.75Å; H115-H119 PolarHBondContact O-N 2.86Å; V116-H119 PolarHBondContact O-N 2.77Å; I117-H119 VanDerWaalsContact C-N 3.32Å; I117-H119 PolarHBondContact O-N 2.8Å; H119-F121 VanDerWaalsContact C-N 3.32Å; H119-F121 PolarHBondContact O-N 2.99Å; H119-N122 PolarHBondContact O-N 2.87Å; H119-N122 VanDerWaalsContact O-N 3.12Å; H119-F123 WeakPolarHBondContact O-CD2 3.48Å; H119-F123 PolarHBondContact O-N 3.38Å |
| 120 | L | 94.3 | Very high | 95.8 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 173.5 | -69.5 | 173.7 | 0 | 0 | 0 | 111.1 | V116 I117 N122 E124 | V116-L120 HydrophobicContact CG1-CD1 4.23Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CG 3.21Å; V116-L120 PolarHBondContact O-N 2.85Å; I117-L120 PolarHBondContact O-N 3.02Å; L120-N122 VanDerWaalsContact C-N 3.35Å; L120-N122 PolarHBondContact O-N 2.85Å; L120-E124 WeakPolarHBondContact O-CB 3.45Å; L120-E124 PolarHBondContact O-N 3.46Å; L120-E124 VanDerWaalsContact O-N 3.09Å |
| 121 | F | 96.1 | Very high | 95.5 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 50% | 0.504 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 173.1 | -74.9 | -66.8 | 0 | 0 | 0 | 112.7 | T49 I117 A118 H119 E124 R125 | T49-F121 HydrophobicContact CG2-CB 3.92Å; T49-F121 HydrophobicContact CG2-CG 4.4Å; I117-F121 HydrophobicContact CG2-CD2 3.91Å; I117-F121 HydrophobicContact CG2-CE2 3.61Å; I117-F121 WeakPolarHBondContact O-CD2 3.34Å; I117-F121 PolarHBondContact O-N 2.8Å; I117-F121 VanDerWaalsContact O-N 3.15Å; A118-F121 PolarHBondContact O-N 2.79Å; H119-F121 VanDerWaalsContact C-N 3.32Å; H119-F121 PolarHBondContact O-N 2.99Å; F121-E124 PolarHBondContact O-N 3.15Å; F121-R125 WeakPolarHBondContact O-CB 3.3Å; F121-R125 WeakPolarHBondContact O-CG 3.22Å; F121-R125 PolarHBondContact O-N 3.42Å |
| 122 | N | 95.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 178.5 | -69.3 | -24.2 | 0 | 0 | 0 | 112.1 | L46 T49 L50 A118 H119 L120 E124 R125 Y126 | L46-N122 HydrophobicContact CD1-CB 4.26Å; L46-N122 HydrophobicContact CD2-CB 3.76Å; L46-N122 WeakPolarHBondContact CD2-O 3.49Å; T49-N122 VanDerWaalsContact CB-OD1 3.25Å; T49-N122 WeakPolarHBondContact CB-OD1 3.39Å; T49-N122 PolarHBondContact O-ND2 3.05Å; T49-N122 PolarHBondContact OG1-OD1 3.07Å; L50-N122 PolarHBondContact N-OD1 2.87Å; A118-N122 PolarHBondContact O-N 2.98Å; A118-N122 PolarHBondContact O-ND2 2.83Å; H119-N122 PolarHBondContact O-N 2.87Å; H119-N122 VanDerWaalsContact O-N 3.12Å; L120-N122 VanDerWaalsContact C-N 3.35Å; L120-N122 PolarHBondContact O-N 2.85Å; N122-E124 VanDerWaalsContact C-N 3.34Å; N122-E124 PolarHBondContact O-N 3.44Å; N122-R125 PolarHBondContact O-N 3.03Å; N122-Y126 WeakPolarHBondContact O-CB 3.37Å; N122-Y126 VanDerWaalsContact O-CD2 3.26Å; N122-Y126 WeakPolarHBondContact O-CD2 3.27Å; N122-Y126 PolarHBondContact O-N 3.4Å |
| 123 | F | 93.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 176.7 | -88.4 | -82 | 0 | 0 | 0 | 112.3 | H119 Y126 S127 I158 V165 A168 I226 | H119-F123 WeakPolarHBondContact O-CD2 3.48Å; H119-F123 PolarHBondContact O-N 3.38Å; F123-Y126 PolarHBondContact O-N 3Å; F123-S127 PolarHBondContact O-N 3.46Å; F123-I158 HydrophobicContact CD1-CD1 4.46Å; F123-V165 HydrophobicContact CB-CG1 3.88Å; F123-A168 HydrophobicContact CD1-CB 4.25Å; F123-A168 HydrophobicContact CE1-CB 4.09Å; F123-I226 HydrophobicContact CZ-CD1 4.39Å |
| 124 | E | 94.5 | Very high | 94 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 173.4 | -179.7 | 66.3 | -172.5 | 0 | 0 | 111.5 | L120 F121 N122 S127 R128 | L120-E124 WeakPolarHBondContact O-CB 3.45Å; L120-E124 PolarHBondContact O-N 3.46Å; L120-E124 VanDerWaalsContact O-N 3.09Å; F121-E124 PolarHBondContact O-N 3.15Å; N122-E124 VanDerWaalsContact C-N 3.34Å; N122-E124 PolarHBondContact O-N 3.44Å; E124-S127 PolarHBondContact O-N 2.54Å; E124-R128 WeakPolarHBondContact O-CG 3.18Å; E124-R128 PolarHBondContact O-N 2.7Å; E124-R128 IonicContact OE1-CZ 3.98Å; E124-R128 IonicContact OE1-NE 3.43Å; E124-R128 PolarHBondContact OE1-NE 2.99Å; E124-R128 IonicContact OE1-NH2 3.4Å; E124-R128 PolarHBondContact OE1-NH2 3.37Å |
| 125 | R | 95.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.6 | -76.5 | 178.2 | 176.2 | -178 | -6 | 112.1 | L46 T49 F121 N122 S127 R128 S129 | L46-R125 HydrophobicContact CD2-CB 4.19Å; L46-R125 WeakPolarHBondContact O-CD 3.36Å; L46-R125 PolarHBondContact O-NH1 2.8Å; T49-R125 PolarHBondContact OG1-NH1 2.66Å; T49-R125 VanDerWaalsContact OG1-NH1 3.1Å; F121-R125 WeakPolarHBondContact O-CB 3.3Å; F121-R125 WeakPolarHBondContact O-CG 3.22Å; F121-R125 PolarHBondContact O-N 3.42Å; N122-R125 PolarHBondContact O-N 3.03Å; R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.21Å; R125-R128 PolarHBondContact O-N 3.18Å; R125-S129 PolarHBondContact O-N 3.2Å; R125-S129 PolarHBondContact O-OG 3.21Å |
| 126 | Y | 94.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 172.4 | -79.4 | -44.8 | 0 | 0 | 0 | 112.6 | I45 L46 N122 F123 S129 Q130 N156 P157 I226 | I45-Y126 HydrophobicContact CG2-CD1 3.66Å; I45-Y126 HydrophobicContact CG2-CE1 4.01Å; L46-Y126 HydrophobicContact CD1-CE1 4.33Å; L46-Y126 HydrophobicContact CD1-CE2 4.03Å; L46-Y126 WeakPolarHBondContact CD1-OH 3.28Å; L46-Y126 HydrophobicContact CD2-CD1 3.91Å; L46-Y126 HydrophobicContact CD2-CD2 3.88Å; L46-Y126 HydrophobicContact CD2-CE1 3.71Å; L46-Y126 HydrophobicContact CD2-CE2 3.73Å; L46-Y126 HydrophobicContact CD2-CG 3.98Å; L46-Y126 HydrophobicContact CG-CE1 3.99Å; L46-Y126 HydrophobicContact CG-CE2 4.31Å; N122-Y126 WeakPolarHBondContact O-CB 3.37Å; N122-Y126 VanDerWaalsContact O-CD2 3.26Å; N122-Y126 WeakPolarHBondContact O-CD2 3.27Å; N122-Y126 PolarHBondContact O-N 3.4Å; F123-Y126 PolarHBondContact O-N 3Å; Y126-S129 PolarHBondContact O-OG 3.5Å; Y126-S129 VanDerWaalsContact O-OG 3.13Å; Y126-Q130 WeakPolarHBondContact O-CB 3.38Å; Y126-Q130 PolarHBondContact O-N 3.48Å; Y126-Q130 VanDerWaalsContact O-N 3.13Å; Y126-N156 WeakPolarHBondContact CB-OD1 3.08Å; Y126-N156 HydrophobicContact CD1-CB 4.13Å; Y126-N156 WeakPolarHBondContact CD1-OD1 3.48Å; Y126-N156 PolarHBondContact O-ND2 3.44Å; Y126-P157 HydrophobicContact CD2-CG 3.8Å; Y126-P157 HydrophobicContact CE2-CG 3.85Å; Y126-P157 HydrophobicContact CG-CG 4.24Å; Y126-I226 HydrophobicContact CE2-CG2 4.47Å |
| 127 | S | 94.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | F123 E124 R125 Q130 Q131 | F123-S127 PolarHBondContact O-N 3.46Å; E124-S127 PolarHBondContact O-N 2.54Å; R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.21Å; S127-Q130 PolarHBondContact O-N 3.46Å; S127-Q131 WeakPolarHBondContact O-CG 3.44Å; S127-Q131 PolarHBondContact O-N 3.32Å |
| 128 | R | 93.7 | Very high | 92.6 | Very high | 158 Ų | 158 | 56.3 Ų | 56.3 | 60% | 0.596 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67 | -43.1 | 179.7 | -71.9 | 177.2 | -171 | -171.7 | 2.9 | 112.3 | E124 R125 Q130 Q131 A132 | E124-R128 WeakPolarHBondContact O-CG 3.18Å; E124-R128 PolarHBondContact O-N 2.7Å; E124-R128 IonicContact OE1-CZ 3.98Å; E124-R128 IonicContact OE1-NE 3.43Å; E124-R128 PolarHBondContact OE1-NE 2.99Å; E124-R128 IonicContact OE1-NH2 3.4Å; E124-R128 PolarHBondContact OE1-NH2 3.37Å; R125-R128 PolarHBondContact O-N 3.18Å; R128-Q130 VanDerWaalsContact C-N 3.31Å; R128-Q130 PolarHBondContact O-N 3.16Å; R128-Q131 PolarHBondContact O-N 2.9Å; R128-A132 PolarHBondContact O-N 3.16Å; R128-A132 VanDerWaalsContact O-N 3.09Å |
| 129 | S | 93.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 178.5 | 67.7 | 0 | 0 | 0 | 0 | 112 | I45 R125 Y126 Q131 A132 S142 N156 | I45-S129 WeakPolarHBondContact CG2-OG 3.26Å; R125-S129 PolarHBondContact O-N 3.2Å; R125-S129 PolarHBondContact O-OG 3.21Å; Y126-S129 PolarHBondContact O-OG 3.5Å; Y126-S129 VanDerWaalsContact O-OG 3.13Å; S129-Q131 VanDerWaalsContact C-N 3.35Å; S129-A132 PolarHBondContact O-N 3.27Å; S129-S142 VanDerWaalsContact CB-OG 3.26Å; S129-S142 WeakPolarHBondContact CB-OG 3.23Å; S129-S142 PolarHBondContact OG-OG 3.37Å; S129-N156 PolarHBondContact OG-ND2 2.86Å |
| 130 | Q | 92.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 56.8 Ų | 56.8 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.9 | -29.7 | 174.7 | -169.1 | 63.5 | 3.6 | 0 | 0 | 113.4 | Y126 S127 R128 S142 I158 Q159 | Y126-Q130 WeakPolarHBondContact O-CB 3.38Å; Y126-Q130 PolarHBondContact O-N 3.48Å; Y126-Q130 VanDerWaalsContact O-N 3.13Å; S127-Q130 PolarHBondContact O-N 3.46Å; R128-Q130 VanDerWaalsContact C-N 3.31Å; R128-Q130 PolarHBondContact O-N 3.16Å; Q130-S142 PolarHBondContact OE1-O 3.45Å; Q130-I158 HydrophobicContact CB-CG2 4.49Å; Q130-I158 HydrophobicContact CG-CG2 4.35Å; Q130-I158 VanDerWaalsContact CG-O 3.31Å; Q130-I158 WeakPolarHBondContact CG-O 3.23Å; Q130-I158 PolarHBondContact OE1-O 2.98Å; Q130-Q159 PolarHBondContact NE2-O 3.38Å |
| 131 | Q | 91.8 | Very high | 91.9 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -85.9 | -14.2 | 178.2 | -71.2 | 171.5 | 6.2 | 0 | 0 | 113.1 | S127 R128 S129 M133 P161 | S127-Q131 WeakPolarHBondContact O-CG 3.44Å; S127-Q131 PolarHBondContact O-N 3.32Å; R128-Q131 PolarHBondContact O-N 2.9Å; S129-Q131 VanDerWaalsContact C-N 3.35Å; Q131-M133 PolarHBondContact O-N 3.42Å; Q131-P161 HydrophobicContact CG-CB 4.18Å; Q131-P161 PolarHBondContact NE2-O 3.25Å |
| 132 | A | 91 | Very high | 91.6 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | trans | -69.9 | 127.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R128 S129 S139 | R128-A132 PolarHBondContact O-N 3.16Å; R128-A132 VanDerWaalsContact O-N 3.09Å; S129-A132 PolarHBondContact O-N 3.27Å; A132-S139 PolarHBondContact O-OG 3.43Å | ||
| 133 | M | 85.6 | Confident | 91.2 | Very high | 177 Ų | 177 | 49.9 Ų | 49.9 | 87% | 0.872 | 27% | 0.265 | S | S | * | . | trans | -106.4 | 15.7 | 177.1 | -65.1 | -79.2 | -175.7 | 0 | 0 | 111.9 | Q131 G135 | Q131-M133 PolarHBondContact O-N 3.42Å; M133-G135 VanDerWaalsContact C-N 3.3Å; M133-G135 PolarHBondContact O-N 3.02Å | ||
| 134 | D | 86.6 | Confident | 90.7 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 60% | 0.599 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -82.9 | -4.6 | -171.6 | 61.5 | -0.6 | 0 | 0 | 0 | 113.8 | S136 S139 | D134-S136 PolarHBondContact O-N 2.88Å; D134-S136 WeakPolarHBondContact OD1-CB 3.27Å; D134-S136 PolarHBondContact OD1-N 2.96Å; D134-S136 PolarHBondContact OD1-OG 2.84Å; D134-S136 PolarHBondContact OD2-OG 2.88Å; D134-S139 WeakPolarHBondContact OD1-CB 3.46Å |
| 135 | G | 85.2 | Confident | 89.6 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | trans | 64.8 | 16.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M133 F247 | M133-G135 VanDerWaalsContact C-N 3.3Å; M133-G135 PolarHBondContact O-N 3.02Å; G135-F247 WeakPolarHBondContact O-CE2 3.44Å | ||
| 136 | S | 91.9 | Very high | 88.1 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | trans | -62.2 | 157.4 | 174.1 | 62.7 | 0 | 0 | 0 | 0 | 111 | D134 A138 S139 V140 | D134-S136 PolarHBondContact O-N 2.88Å; D134-S136 WeakPolarHBondContact OD1-CB 3.27Å; D134-S136 PolarHBondContact OD1-N 2.96Å; D134-S136 PolarHBondContact OD1-OG 2.84Å; D134-S136 PolarHBondContact OD2-OG 2.88Å; S136-A138 PolarHBondContact O-N 3.17Å; S136-S139 WeakPolarHBondContact O-CB 3.33Å; S136-S139 PolarHBondContact O-N 2.85Å; S136-S139 WeakPolarHBondContact OG-CB 3.44Å; S136-S139 PolarHBondContact OG-N 3.04Å; S136-V140 WeakPolarHBondContact O-CG2 3.31Å; S136-V140 PolarHBondContact O-N 3.38Å | ||
| 137 | L | 91.1 | Very high | 86 | Confident | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52.6 | -41.4 | 175.5 | 177.2 | 60.5 | 0 | 0 | 0 | 111.6 | Y41 E44 S139 V140 L141 F247 W250 | Y41-L137 HydrophobicContact CD1-CD1 4.49Å; Y41-L137 HydrophobicContact CD1-CD2 4.39Å; Y41-L137 HydrophobicContact CE1-CD1 4.38Å; Y41-L137 HydrophobicContact CE1-CD2 4.41Å; E44-L137 HydrophobicContact CG-CD2 3.92Å; L137-S139 PolarHBondContact O-N 2.84Å; L137-V140 PolarHBondContact O-N 2.68Å; L137-L141 HydrophobicContact CD1-CD1 3.93Å; L137-L141 HydrophobicContact CD1-CG 4.01Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 HydrophobicContact CG-CG 4.35Å; L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CD1 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.47Å; L137-L141 PolarHBondContact O-N 3.08Å; L137-F247 HydrophobicContact CB-CD1 4.44Å; L137-F247 HydrophobicContact CB-CE1 4.42Å; L137-F247 HydrophobicContact CB-CG 4.48Å; L137-F247 HydrophobicContact CB-CZ 4.46Å; L137-F247 HydrophobicContact CD1-CB 3.7Å; L137-F247 HydrophobicContact CD1-CD1 4.32Å; L137-F247 HydrophobicContact CD1-CD2 4.13Å; L137-F247 HydrophobicContact CD1-CG 3.79Å; L137-W250 HydrophobicContact CD1-CH2 3.87Å; L137-W250 HydrophobicContact CD1-CZ2 4.46Å |
| 138 | A | 91.9 | Very high | 84.1 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I45 S136 S142 | I45-A138 HydrophobicContact CG1-CB 4.14Å; S136-A138 PolarHBondContact O-N 3.17Å; A138-S142 WeakPolarHBondContact O-CB 3.46Å; A138-S142 PolarHBondContact O-N 3.39Å; A138-S142 VanDerWaalsContact O-N 3.11Å; A138-S142 PolarHBondContact O-OG 2.92Å |
| 139 | S | 91.1 | Very high | 81.9 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 174.1 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | A132 D134 S136 L137 L141 S142 S143 | A132-S139 PolarHBondContact O-OG 3.43Å; D134-S139 WeakPolarHBondContact OD1-CB 3.46Å; S136-S139 WeakPolarHBondContact O-CB 3.33Å; S136-S139 PolarHBondContact O-N 2.85Å; S136-S139 WeakPolarHBondContact OG-CB 3.44Å; S136-S139 PolarHBondContact OG-N 3.04Å; L137-S139 PolarHBondContact O-N 2.84Å; S139-L141 PolarHBondContact O-N 3.05Å; S139-S142 PolarHBondContact O-N 2.78Å; S139-S142 VanDerWaalsContact O-N 3.16Å; S139-S143 PolarHBondContact O-N 3.49Å; S139-S143 VanDerWaalsContact O-N 3.08Å |
| 140 | V | 89.9 | Confident | 79.9 | Confident | 36 Ų | 36 | 68.8 Ų | 68.8 | 22% | 0.218 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.9 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | S136 L137 S142 S143 F247 | S136-V140 WeakPolarHBondContact O-CG2 3.31Å; S136-V140 PolarHBondContact O-N 3.38Å; L137-V140 PolarHBondContact O-N 2.68Å; V140-S142 VanDerWaalsContact C-N 3.25Å; V140-S142 PolarHBondContact O-N 2.96Å; V140-S143 PolarHBondContact O-N 2.77Å; V140-S143 PolarHBondContact O-OG 2.94Å; V140-F247 HydrophobicContact CB-CD2 4.36Å; V140-F247 HydrophobicContact CG2-CD2 4.09Å; V140-F247 HydrophobicContact CG2-CE2 3.96Å |
| 141 | L | 90.1 | Very high | 78 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -29.5 | 176.6 | -71.4 | 167.3 | 0 | 0 | 0 | 113 | Y41 E44 I45 L137 S139 L144 L155 W250 P260 F262 | Y41-L141 HydrophobicContact CD1-CD1 3.86Å; Y41-L141 HydrophobicContact CD1-CD2 4.11Å; Y41-L141 HydrophobicContact CG-CD1 4.28Å; Y41-L141 HydrophobicContact CG-CD2 4.21Å; E44-L141 HydrophobicContact CB-CD1 4.41Å; I45-L141 HydrophobicContact CD1-CB 4.03Å; L137-L141 HydrophobicContact CD1-CD1 3.93Å; L137-L141 HydrophobicContact CD1-CG 4.01Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 HydrophobicContact CG-CG 4.35Å; L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CD1 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.47Å; L137-L141 PolarHBondContact O-N 3.08Å; S139-L141 PolarHBondContact O-N 3.05Å; L141-L144 HydrophobicContact CD2-CD1 4.23Å; L141-L155 HydrophobicContact CB-CD2 4.24Å; L141-L155 HydrophobicContact CD1-CD2 4.37Å; L141-L155 HydrophobicContact CD2-CD2 4.4Å; L141-W250 HydrophobicContact CD2-CH2 4.15Å; L141-W250 HydrophobicContact CD2-CZ3 4.22Å; L141-P260 HydrophobicContact CD2-CG 4.19Å; L141-F262 HydrophobicContact CD2-CE2 4.28Å; L141-F262 HydrophobicContact CD2-CZ 3.98Å |
| 142 | S | 90.8 | Very high | 76.4 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -77.5 | -29.9 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | S129 Q130 A138 S139 V140 L144 N156 | S129-S142 VanDerWaalsContact CB-OG 3.26Å; S129-S142 WeakPolarHBondContact CB-OG 3.23Å; S129-S142 PolarHBondContact OG-OG 3.37Å; Q130-S142 PolarHBondContact OE1-O 3.45Å; A138-S142 WeakPolarHBondContact O-CB 3.46Å; A138-S142 PolarHBondContact O-N 3.39Å; A138-S142 VanDerWaalsContact O-N 3.11Å; A138-S142 PolarHBondContact O-OG 2.92Å; S139-S142 PolarHBondContact O-N 2.78Å; S139-S142 VanDerWaalsContact O-N 3.16Å; V140-S142 VanDerWaalsContact C-N 3.25Å; V140-S142 PolarHBondContact O-N 2.96Å; S142-L144 PolarHBondContact O-N 2.99Å; S142-N156 WeakPolarHBondContact CB-ND2 3.38Å; S142-N156 PolarHBondContact OG-ND2 3.19Å |
| 143 | S | 87.1 | Confident | 75.5 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 54% | 0.538 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -76.8 | -5.2 | 178.4 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | S139 V140 S145 | S139-S143 PolarHBondContact O-N 3.49Å; S139-S143 VanDerWaalsContact O-N 3.08Å; V140-S143 PolarHBondContact O-N 2.77Å; V140-S143 PolarHBondContact O-OG 2.94Å; S143-S145 PolarHBondContact O-N 2.8Å |
| 144 | L | 83.7 | Confident | 75.5 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | trans | -61.7 | 119.6 | 174 | -63.4 | 175.2 | 0 | 0 | 0 | 110.8 | L141 S142 Q159 F262 | L141-L144 HydrophobicContact CD2-CD1 4.23Å; S142-L144 PolarHBondContact O-N 2.99Å; L144-Q159 PolarHBondContact O-NE2 2.75Å; L144-Q159 PolarHBondContact O-OE1 2.86Å; L144-F262 HydrophobicContact CD1-CD2 4.45Å; L144-F262 HydrophobicContact CD1-CE2 3.81Å | ||
| 145 | S | 71.1 | Confident | 75.7 | Confident | 44 Ų | 44 | 56 Ų | 56 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | trans | -97.9 | 148 | -171.9 | 177.4 | 0 | 0 | 0 | 0 | 112.8 | S143 H147 | S143-S145 PolarHBondContact O-N 2.8Å; S145-H147 PolarHBondContact O-N 3.16Å; S145-H147 VanDerWaalsContact O-N 3.13Å; S145-H147 PolarHBondContact OG-N 2.89Å | ||
| 146 | H | 63.4 | Low | 76 | Confident | 76 Ų | 76 | 54.3 Ų | 54.3 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.2 | 173.1 | -68.7 | -95.6 | 0 | 0 | 0 | 114.8 | W154 | H146-W154 AromaticContact CE1-CD1 3.15Å; H146-W154 AromaticContact CE1-CD2 3.38Å; H146-W154 AromaticContact CE1-CE2 3.13Å; H146-W154 AromaticContact CE1-CG 3.33Å; H146-W154 AromaticContact CE1-CZ2 3.81Å; H146-W154 AromaticContact CE1-NE1 3Å; H146-W154 PolarHBondContact CE1-NE1 3.27Å; H146-W154 AromaticContact CG-CD1 3.81Å; H146-W154 AromaticContact ND1-CD1 3.03Å; H146-W154 AromaticContact ND1-CE2 3.81Å; H146-W154 AromaticContact ND1-CG 3.58Å; H146-W154 AromaticContact ND1-NE1 3.17Å; H146-W154 PolarHBondContact ND1-NE1 3.36Å; H146-W154 VanDerWaalsContact ND1-NE1 3.17Å; H146-W154 AromaticContact NE2-CD1 3.92Å; H146-W154 AromaticContact NE2-CD2 3.75Å; H146-W154 AromaticContact NE2-CE2 3.94Å; H146-W154 AromaticContact NE2-CG 3.69Å |
| 147 | H | 50.8 | Low | 75.9 | Confident | 175 Ų | 175 | 54.2 Ų | 54.2 | 81% | 0.81 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 5.8 | -168.1 | -79.9 | -68.2 | 0 | 0 | 0 | 115.2 | S145 | S145-H147 PolarHBondContact O-N 3.16Å; S145-H147 VanDerWaalsContact O-N 3.13Å; S145-H147 PolarHBondContact OG-N 2.89Å |
| 148 | E | 54.8 | Low | 75.9 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -67.3 | 142 | 169.3 | -76.5 | -178.3 | 157 | 0 | 0 | 109.8 | E150 R259 | E148-E150 PolarHBondContact O-N 2.99Å; E148-R259 IonicContact OE1-NH1 3.06Å; E148-R259 PolarHBondContact OE1-NH1 3.46Å; E148-R259 IonicContact OE2-NH1 3.61Å |
| 149 | K | 45.9 | Very low | 75.6 | Confident | 221 Ų | 221 | 55.2 Ų | 55.2 | 96% | 0.961 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -61.3 | -4 | -166.4 | -75.3 | 176.1 | 175.2 | 175.2 | 0 | 115.2 | ||
| 150 | E | 51.8 | Low | 75.4 | Confident | 137 Ų | 137 | 56.5 Ų | 56.5 | 64% | 0.64 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -120.4 | 117 | 176.6 | -71.5 | 173.1 | 173.9 | 0 | 0 | 107.7 | E148 | E148-E150 PolarHBondContact O-N 2.99Š|
| 151 | G | 52.8 | Low | 75.1 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 141.2 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S153 | G151-S153 PolarHBondContact O-N 3.29Š|
| 152 | D | 58.2 | Low | 75 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 33.5 | 151.1 | -110.5 | 27.4 | 0 | 0 | 0 | 118 | W154 R228 | D152-W154 PolarHBondContact O-N 3.41Å; D152-W154 PolarHBondContact OD1-NE1 3.12Å; D152-R228 PolarHBondContact O-NH2 3.39Å; D152-R228 IonicContact OD2-CZ 3.97Å; D152-R228 IonicContact OD2-NH1 3.35Å; D152-R228 IonicContact OD2-NH2 3.09Å; D152-R228 PolarHBondContact OD2-NH2 3.31Å |
| 153 | S | 71.4 | Confident | 74.9 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | trans | -74.5 | 5.3 | 176.8 | 61.8 | 0 | 0 | 0 | 0 | 116.1 | G151 F262 | G151-S153 PolarHBondContact O-N 3.29Å; S153-F262 WeakPolarHBondContact O-CD2 3.48Å | ||
| 154 | W | 86.7 | Confident | 75 | Confident | 20 Ų | 20 | 66 Ų | 66 | 8% | 0.076 | 36% | 0.356 | C | S | . | . | trans | -76.4 | 148.7 | -179.3 | 68.8 | -82.4 | 0 | 0 | 0 | 112.1 | H146 D152 P157 R228 | H146-W154 AromaticContact CE1-CD1 3.15Å; H146-W154 AromaticContact CE1-CD2 3.38Å; H146-W154 AromaticContact CE1-CE2 3.13Å; H146-W154 AromaticContact CE1-CG 3.33Å; H146-W154 AromaticContact CE1-CZ2 3.81Å; H146-W154 AromaticContact CE1-NE1 3Å; H146-W154 PolarHBondContact CE1-NE1 3.27Å; H146-W154 AromaticContact CG-CD1 3.81Å; H146-W154 AromaticContact ND1-CD1 3.03Å; H146-W154 AromaticContact ND1-CE2 3.81Å; H146-W154 AromaticContact ND1-CG 3.58Å; H146-W154 AromaticContact ND1-NE1 3.17Å; H146-W154 PolarHBondContact ND1-NE1 3.36Å; H146-W154 VanDerWaalsContact ND1-NE1 3.17Å; H146-W154 AromaticContact NE2-CD1 3.92Å; H146-W154 AromaticContact NE2-CD2 3.75Å; H146-W154 AromaticContact NE2-CE2 3.94Å; H146-W154 AromaticContact NE2-CG 3.69Å; D152-W154 PolarHBondContact O-N 3.41Å; D152-W154 PolarHBondContact OD1-NE1 3.12Å; W154-P157 HydrophobicContact CH2-CB 4.29Å; W154-P157 VanDerWaalsContact CZ3-CA 3.49Å; W154-P157 HydrophobicContact CZ3-CB 3.79Å; W154-R228 VanDerWaalsContact CE2-CZ 3.41Å; W154-R228 HydrophobicContact CH2-CG 4.46Å; W154-R228 HydrophobicContact CZ3-CG 4.46Å; W154-R228 WeakPolarHBondContact O-CD 3.44Å; W154-R228 PolarHBondContact O-NE 3.09Å | ||
| 155 | L | 89.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | trans | -117.9 | -38 | 173.3 | -174.1 | 58.6 | 0 | 0 | 0 | 112.4 | T42 I45 L141 R228 F262 | T42-L155 HydrophobicContact CG2-CD1 4.17Å; I45-L155 HydrophobicContact CD1-CD2 3.81Å; I45-L155 HydrophobicContact CD1-CG 4.13Å; L141-L155 HydrophobicContact CB-CD2 4.24Å; L141-L155 HydrophobicContact CD1-CD2 4.37Å; L141-L155 HydrophobicContact CD2-CD2 4.4Å; L155-R228 HydrophobicContact CD1-CB 4.05Å; L155-F262 HydrophobicContact CB-CD2 3.94Å; L155-F262 HydrophobicContact CB-CE2 3.97Å; L155-F262 HydrophobicContact CB-CG 4.31Å; L155-F262 HydrophobicContact CB-CZ 4.39Å; L155-F262 HydrophobicContact CD1-CD1 3.78Å; L155-F262 HydrophobicContact CD1-CD2 4.46Å; L155-F262 HydrophobicContact CD1-CE1 4.03Å; L155-F262 HydrophobicContact CD1-CG 4.02Å; L155-F262 HydrophobicContact CD1-CZ 4.47Å; L155-F262 HydrophobicContact CD2-CE1 4Å; L155-F262 HydrophobicContact CD2-CE2 4.23Å; L155-F262 HydrophobicContact CD2-CZ 3.82Å; L155-F262 HydrophobicContact CG-CE1 4.48Å; L155-F262 HydrophobicContact CG-CZ 4.46Å | ||
| 156 | N | 91.9 | Very high | 76.3 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -91.7 | 121.5 | 178.9 | -168.9 | -20.5 | 0 | 0 | 0 | 111 | Y126 S129 S142 I158 Q159 | Y126-N156 WeakPolarHBondContact CB-OD1 3.08Å; Y126-N156 HydrophobicContact CD1-CB 4.13Å; Y126-N156 WeakPolarHBondContact CD1-OD1 3.48Å; Y126-N156 PolarHBondContact O-ND2 3.44Å; S129-N156 PolarHBondContact OG-ND2 2.86Å; S142-N156 WeakPolarHBondContact CB-ND2 3.38Å; S142-N156 PolarHBondContact OG-ND2 3.19Å; N156-I158 PolarHBondContact O-N 3.43Å; N156-I158 WeakPolarHBondContact OD1-CB 3.49Å; N156-I158 PolarHBondContact OD1-N 3.2Å; N156-I158 PolarHBondContact OD1-O 3.37Å; N156-Q159 PolarHBondContact O-NE2 3.2Å | ||
| 157 | P | 89.6 | Confident | 77.6 | Confident | 35 Ų | 35 | 74 Ų | 74 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -67.7 | -16.9 | 176.7 | 30.1 | -38.1 | 0 | 0 | 0 | 113.3 | Y126 W154 I226 | Y126-P157 HydrophobicContact CD2-CG 3.8Å; Y126-P157 HydrophobicContact CE2-CG 3.85Å; Y126-P157 HydrophobicContact CG-CG 4.24Å; W154-P157 HydrophobicContact CH2-CB 4.29Å; W154-P157 VanDerWaalsContact CZ3-CA 3.49Å; W154-P157 HydrophobicContact CZ3-CB 3.79Å; P157-I226 HydrophobicContact CB-CG2 4.05Å; P157-I226 HydrophobicContact CG-CG2 3.77Å |
| 158 | I | 90.5 | Very high | 79.4 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | trans | -94.5 | 104.6 | 177.2 | -57 | -178.6 | 0 | 0 | 0 | 108.1 | F123 Q130 N156 T163 A168 | F123-I158 HydrophobicContact CD1-CD1 4.46Å; Q130-I158 HydrophobicContact CB-CG2 4.49Å; Q130-I158 HydrophobicContact CG-CG2 4.35Å; Q130-I158 VanDerWaalsContact CG-O 3.31Å; Q130-I158 WeakPolarHBondContact CG-O 3.23Å; Q130-I158 PolarHBondContact OE1-O 2.98Å; N156-I158 PolarHBondContact O-N 3.43Å; N156-I158 WeakPolarHBondContact OD1-CB 3.49Å; N156-I158 PolarHBondContact OD1-N 3.2Å; N156-I158 PolarHBondContact OD1-O 3.37Å; I158-T163 HydrophobicContact CG2-CG2 4.06Å; I158-A168 HydrophobicContact CD1-CB 4.13Å; I158-A168 HydrophobicContact CG1-CB 3.96Å | ||
| 159 | Q | 86 | Confident | 81.1 | Confident | 60 Ų | 60 | 63 Ų | 63 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | trans | -94.9 | -10.4 | -171.1 | -69.1 | -76.6 | -49.1 | 0 | 0 | 114 | Q130 L144 N156 | Q130-Q159 PolarHBondContact NE2-O 3.38Å; L144-Q159 PolarHBondContact O-NE2 2.75Å; L144-Q159 PolarHBondContact O-OE1 2.86Å; N156-Q159 PolarHBondContact O-NE2 3.2Å | ||
| 160 | S | 86.6 | Confident | 83.3 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | trans | -126.9 | 136.7 | 178.7 | 175 | 0 | 0 | 0 | 0 | 110.8 | N162 T163 | S160-N162 PolarHBondContact O-N 3.02Å; S160-N162 PolarHBondContact OG-N 3.03Å; S160-T163 WeakPolarHBondContact O-CB 3.47Å; S160-T163 PolarHBondContact O-N 3.45Å; S160-T163 VanDerWaalsContact O-N 3.07Å | ||
| 161 | P | 84.8 | Confident | 85.1 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.7 | 177.9 | 26.5 | -34.9 | 0 | 0 | 0 | 112.7 | Q131 | Q131-P161 HydrophobicContact CG-CB 4.18Å; Q131-P161 PolarHBondContact NE2-O 3.25Å |
| 162 | N | 87.3 | Confident | 87 | Confident | 145 Ų | 145 | 52.5 Ų | 52.5 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.3 | 178.5 | -66.2 | -15.5 | 0 | 0 | 0 | 113.2 | S160 T164 | S160-N162 PolarHBondContact O-N 3.02Å; S160-N162 PolarHBondContact OG-N 3.03Å; N162-T164 PolarHBondContact O-N 3.23Å |
| 163 | T | 88.4 | Confident | 88.6 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -74.2 | 123.1 | 179.1 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | I158 S160 Y167 A168 | I158-T163 HydrophobicContact CG2-CG2 4.06Å; S160-T163 WeakPolarHBondContact O-CB 3.47Å; S160-T163 PolarHBondContact O-N 3.45Å; S160-T163 VanDerWaalsContact O-N 3.07Å; T163-Y167 HydrophobicContact CG2-CD1 3.85Å; T163-A168 HydrophobicContact CG2-CB 4.24Å | ||
| 164 | T | 90.8 | Very high | 89.5 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | trans | -77.7 | 149.8 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | N162 L166 Y167 A168 | N162-T164 PolarHBondContact O-N 3.23Å; T164-L166 PolarHBondContact O-N 3.46Å; T164-Y167 PolarHBondContact O-N 3.1Å; T164-Y167 VanDerWaalsContact O-N 3.09Å; T164-Y167 WeakPolarHBondContact OG1-CB 3.42Å; T164-Y167 PolarHBondContact OG1-N 3.41Å; T164-A168 PolarHBondContact O-N 2.7Å | ||
| 165 | V | 90.7 | Very high | 89.8 | Confident | 34 Ų | 34 | 52 Ų | 52 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.4 | -39.3 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | F123 A168 T169 | F123-V165 HydrophobicContact CB-CG1 3.88Å; V165-A168 PolarHBondContact O-N 2.85Å; V165-T169 WeakPolarHBondContact O-CB 3.46Å; V165-T169 PolarHBondContact O-N 3.43Å; V165-T169 PolarHBondContact O-OG1 3.43Å |
| 166 | L | 90.8 | Very high | 90.1 | Very high | 117 Ų | 117 | 55.7 Ų | 55.7 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 177.7 | -175 | 68.8 | 0 | 0 | 0 | 111.4 | T164 A168 T169 F170 | T164-L166 PolarHBondContact O-N 3.46Å; L166-A168 PolarHBondContact O-N 3.5Å; L166-T169 PolarHBondContact O-N 3.21Å; L166-F170 HydrophobicContact CD1-CD2 3.76Å; L166-F170 HydrophobicContact CD1-CE2 3.53Å; L166-F170 HydrophobicContact CG-CD2 4.21Å; L166-F170 HydrophobicContact CG-CE2 4.44Å; L166-F170 WeakPolarHBondContact O-CD2 3.45Å; L166-F170 PolarHBondContact O-N 2.82Å; L166-F170 VanDerWaalsContact O-N 3.1Å |
| 167 | Y | 91.3 | Very high | 90.2 | Very high | 146 Ų | 146 | 56.5 Ų | 56.5 | 57% | 0.573 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.3 | -46.4 | 178.6 | -177.7 | -92.2 | 0 | 0 | 0 | 111.2 | T163 T164 T169 F170 T171 | T163-Y167 HydrophobicContact CG2-CD1 3.85Å; T164-Y167 PolarHBondContact O-N 3.1Å; T164-Y167 VanDerWaalsContact O-N 3.09Å; T164-Y167 WeakPolarHBondContact OG1-CB 3.42Å; T164-Y167 PolarHBondContact OG1-N 3.41Å; Y167-T169 VanDerWaalsContact C-N 3.27Å; Y167-T169 PolarHBondContact O-N 3.08Å; Y167-F170 PolarHBondContact O-N 3Å; Y167-T171 HydrophobicContact CD1-CG2 4.08Å; Y167-T171 HydrophobicContact CD2-CG2 4.12Å; Y167-T171 HydrophobicContact CE1-CG2 3.75Å; Y167-T171 HydrophobicContact CE2-CG2 3.78Å; Y167-T171 HydrophobicContact CG-CG2 4.27Å; Y167-T171 WeakPolarHBondContact O-CB 3.3Å; Y167-T171 WeakPolarHBondContact O-CG2 3.21Å; Y167-T171 PolarHBondContact O-N 2.94Å; Y167-T171 PolarHBondContact O-OG1 3.2Å |
| 168 | A | 88.3 | Confident | 90.5 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F123 I158 T163 T164 V165 L166 S172 | F123-A168 HydrophobicContact CD1-CB 4.25Å; F123-A168 HydrophobicContact CE1-CB 4.09Å; I158-A168 HydrophobicContact CD1-CB 4.13Å; I158-A168 HydrophobicContact CG1-CB 3.96Å; T163-A168 HydrophobicContact CG2-CB 4.24Å; T164-A168 PolarHBondContact O-N 2.7Å; V165-A168 PolarHBondContact O-N 2.85Å; L166-A168 PolarHBondContact O-N 3.5Å; A168-S172 VanDerWaalsContact O-CB 3.22Å; A168-S172 WeakPolarHBondContact O-CB 3.49Å; A168-S172 PolarHBondContact O-N 3.32Å; A168-S172 VanDerWaalsContact O-N 3.12Å; A168-S172 PolarHBondContact O-OG 3.38Å |
| 169 | T | 89.4 | Confident | 90.8 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | V165 L166 Y167 S172 G175 L176 V179 | V165-T169 WeakPolarHBondContact O-CB 3.46Å; V165-T169 PolarHBondContact O-N 3.43Å; V165-T169 PolarHBondContact O-OG1 3.43Å; L166-T169 PolarHBondContact O-N 3.21Å; Y167-T169 VanDerWaalsContact C-N 3.27Å; Y167-T169 PolarHBondContact O-N 3.08Å; T169-S172 PolarHBondContact O-OG 2.89Å; T169-G175 CarbonylContact O-C 3.2Å; T169-G175 WeakPolarHBondContact O-CA 3.25Å; T169-L176 PolarHBondContact O-N 3.27Å; T169-V179 HydrophobicContact CG2-CG2 4.42Å |
| 170 | F | 92.3 | Very high | 91.3 | Very high | 102 Ų | 102 | 58 Ų | 58 | 45% | 0.447 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -84.3 | -14.3 | -175.7 | -78.5 | -78.5 | 0 | 0 | 0 | 115 | L166 Y167 L176 V179 | L166-F170 HydrophobicContact CD1-CD2 3.76Å; L166-F170 HydrophobicContact CD1-CE2 3.53Å; L166-F170 HydrophobicContact CG-CD2 4.21Å; L166-F170 HydrophobicContact CG-CE2 4.44Å; L166-F170 WeakPolarHBondContact O-CD2 3.45Å; L166-F170 PolarHBondContact O-N 2.82Å; L166-F170 VanDerWaalsContact O-N 3.1Å; Y167-F170 PolarHBondContact O-N 3Å; F170-L176 HydrophobicContact CD1-CD1 4.15Å; F170-V179 HydrophobicContact CE1-CB 4.43Å; F170-V179 HydrophobicContact CE1-CG1 4.05Å; F170-V179 HydrophobicContact CE1-CG2 4.3Å; F170-V179 HydrophobicContact CZ-CG1 4.27Å; F170-V179 HydrophobicContact CZ-CG2 4.28Å |
| 171 | T | 90.9 | Very high | 91.8 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -96.1 | -24.1 | 176.2 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | Y167 | Y167-T171 HydrophobicContact CD1-CG2 4.08Å; Y167-T171 HydrophobicContact CD2-CG2 4.12Å; Y167-T171 HydrophobicContact CE1-CG2 3.75Å; Y167-T171 HydrophobicContact CE2-CG2 3.78Å; Y167-T171 HydrophobicContact CG-CG2 4.27Å; Y167-T171 WeakPolarHBondContact O-CB 3.3Å; Y167-T171 WeakPolarHBondContact O-CG2 3.21Å; Y167-T171 PolarHBondContact O-N 2.94Å; Y167-T171 PolarHBondContact O-OG1 3.2Å |
| 172 | S | 91 | Very high | 92.4 | Very high | 22 Ų | 22 | 56 Ų | 56 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -76.6 | 141.9 | 174.9 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | A168 T169 A174 G175 L176 | A168-S172 VanDerWaalsContact O-CB 3.22Å; A168-S172 WeakPolarHBondContact O-CB 3.49Å; A168-S172 PolarHBondContact O-N 3.32Å; A168-S172 VanDerWaalsContact O-N 3.12Å; A168-S172 PolarHBondContact O-OG 3.38Å; T169-S172 PolarHBondContact O-OG 2.89Å; S172-A174 VanDerWaalsContact C-N 3.28Å; S172-A174 PolarHBondContact O-N 2.9Å; S172-G175 PolarHBondContact O-N 2.9Å; S172-G175 PolarHBondContact OG-N 2.91Å; S172-G175 VanDerWaalsContact OG-N 3.12Å; S172-L176 PolarHBondContact O-N 3.37Å |
| 173 | V | 92.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 53.7 Ų | 53.7 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.5 | -44.8 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | T177 L223 | V173-T177 HydrophobicContact CG1-CG2 4.34Å; V173-T177 WeakPolarHBondContact O-CB 3.14Å; V173-T177 VanDerWaalsContact O-CG2 3.25Å; V173-T177 WeakPolarHBondContact O-CG2 3.49Å; V173-T177 PolarHBondContact O-N 2.93Å; V173-T177 VanDerWaalsContact O-N 3.1Å; V173-T177 PolarHBondContact O-OG1 3.44Å; V173-L223 HydrophobicContact CG1-CB 4.38Å |
| 174 | A | 91.6 | Very high | 93.4 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S172 T177 G178 H221 I226 | S172-A174 VanDerWaalsContact C-N 3.28Å; S172-A174 PolarHBondContact O-N 2.9Å; A174-T177 PolarHBondContact O-OG1 3.43Å; A174-G178 PolarHBondContact O-N 2.85Å; A174-H221 WeakPolarHBondContact CA-O 3.46Å; A174-H221 WeakPolarHBondContact CB-O 3.38Å; A174-H221 PolarHBondContact O-CE1 3.07Å; A174-H221 PolarHBondContact O-ND1 3.32Å; A174-I226 HydrophobicContact CB-CD1 3.57Å; A174-I226 HydrophobicContact CB-CG1 4.35Å |
| 175 | G | 92.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -46.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T169 S172 G178 V179 | T169-G175 CarbonylContact O-C 3.2Å; T169-G175 WeakPolarHBondContact O-CA 3.25Å; S172-G175 PolarHBondContact O-N 2.9Å; S172-G175 PolarHBondContact OG-N 2.91Å; S172-G175 VanDerWaalsContact OG-N 3.12Å; G175-G178 PolarHBondContact O-N 3.23Å; G175-V179 WeakPolarHBondContact O-CG2 3.32Å; G175-V179 PolarHBondContact O-N 2.88Å |
| 176 | L | 94.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 40% | 0.398 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 179.2 | -178 | 63 | 0 | 0 | 0 | 112.2 | T169 F170 S172 G178 V179 I180 | T169-L176 PolarHBondContact O-N 3.27Å; F170-L176 HydrophobicContact CD1-CD1 4.15Å; S172-L176 PolarHBondContact O-N 3.37Å; L176-G178 VanDerWaalsContact C-N 3.29Å; L176-G178 PolarHBondContact O-N 3.01Å; L176-V179 PolarHBondContact O-N 3.25Å; L176-I180 HydrophobicContact CD1-CD1 4.1Å; L176-I180 HydrophobicContact CG-CD1 4Å; L176-I180 WeakPolarHBondContact O-CG1 3.33Å; L176-I180 PolarHBondContact O-N 3.29Å |
| 177 | T | 95.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 10% | 0.104 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 177.8 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | V173 A174 A181 H221 | V173-T177 HydrophobicContact CG1-CG2 4.34Å; V173-T177 WeakPolarHBondContact O-CB 3.14Å; V173-T177 VanDerWaalsContact O-CG2 3.25Å; V173-T177 WeakPolarHBondContact O-CG2 3.49Å; V173-T177 PolarHBondContact O-N 2.93Å; V173-T177 VanDerWaalsContact O-N 3.1Å; V173-T177 PolarHBondContact O-OG1 3.44Å; A174-T177 PolarHBondContact O-OG1 3.43Å; T177-A181 WeakPolarHBondContact O-CB 3.3Å; T177-A181 PolarHBondContact O-N 2.98Å; T177-H221 WeakPolarHBondContact OG1-CA 3.27Å; T177-H221 PolarHBondContact OG1-ND1 3.34Å |
| 178 | G | 95.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A174 G175 L176 T182 H221 | A174-G178 PolarHBondContact O-N 2.85Å; G175-G178 PolarHBondContact O-N 3.23Å; L176-G178 VanDerWaalsContact C-N 3.29Å; L176-G178 PolarHBondContact O-N 3.01Å; G178-T182 WeakPolarHBondContact O-CB 3.39Å; G178-T182 PolarHBondContact O-N 2.87Å; G178-T182 PolarHBondContact O-OG1 3.16Å; G178-H221 PolarHBondContact N-ND1 2.91Å |
| 179 | V | 96.1 | Very high | 95 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 26% | 0.261 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -48.9 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111 | T169 F170 G175 L176 A181 T182 I183 | T169-V179 HydrophobicContact CG2-CG2 4.42Å; F170-V179 HydrophobicContact CE1-CB 4.43Å; F170-V179 HydrophobicContact CE1-CG1 4.05Å; F170-V179 HydrophobicContact CE1-CG2 4.3Å; F170-V179 HydrophobicContact CZ-CG1 4.27Å; F170-V179 HydrophobicContact CZ-CG2 4.28Å; G175-V179 WeakPolarHBondContact O-CG2 3.32Å; G175-V179 PolarHBondContact O-N 2.88Å; L176-V179 PolarHBondContact O-N 3.25Å; V179-A181 PolarHBondContact O-N 2.83Å; V179-T182 PolarHBondContact O-N 2.99Å; V179-I183 HydrophobicContact CG1-CD1 3.86Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.01Å |
| 180 | I | 97.5 | Very high | 95.3 | Very high | 70 Ų | 70 | 47 Ų | 47 | 36% | 0.359 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 178.9 | -65.2 | 168.3 | 0 | 0 | 0 | 110.7 | L176 T182 I183 A184 V213 | L176-I180 HydrophobicContact CD1-CD1 4.1Å; L176-I180 HydrophobicContact CG-CD1 4Å; L176-I180 WeakPolarHBondContact O-CG1 3.33Å; L176-I180 PolarHBondContact O-N 3.29Å; I180-T182 VanDerWaalsContact C-N 3.33Å; I180-T182 PolarHBondContact O-N 3.44Å; I180-I183 PolarHBondContact O-N 3.07Å; I180-A184 WeakPolarHBondContact O-CB 3.31Å; I180-A184 PolarHBondContact O-N 3.48Å; I180-V213 HydrophobicContact CG2-CG1 3.92Å |
| 181 | A | 97.3 | Very high | 95.5 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T177 V179 A184 L185 Y214 C217 | T177-A181 WeakPolarHBondContact O-CB 3.3Å; T177-A181 PolarHBondContact O-N 2.98Å; V179-A181 PolarHBondContact O-N 2.83Å; A181-A184 PolarHBondContact O-N 2.98Å; A181-L185 WeakPolarHBondContact O-CB 3.3Å; A181-L185 PolarHBondContact O-N 3.26Å; A181-Y214 HydrophobicContact CB-CD2 4.06Å; A181-Y214 HydrophobicContact CB-CE2 4.38Å; A181-Y214 WeakPolarHBondContact O-CD2 3.31Å; A181-C217 HydrophobicContact CB-CB 3.8Å |
| 182 | T | 97.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 40 Ų | 40 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | G178 V179 I180 A184 L185 V186 | G178-T182 WeakPolarHBondContact O-CB 3.39Å; G178-T182 PolarHBondContact O-N 2.87Å; G178-T182 PolarHBondContact O-OG1 3.16Å; V179-T182 PolarHBondContact O-N 2.99Å; I180-T182 VanDerWaalsContact C-N 3.33Å; I180-T182 PolarHBondContact O-N 3.44Å; T182-A184 PolarHBondContact O-N 3.19Å; T182-L185 PolarHBondContact O-N 3.05Å; T182-V186 WeakPolarHBondContact O-CG2 3.35Å; T182-V186 PolarHBondContact O-N 3.37Å |
| 183 | I | 97.8 | Very high | 95.7 | Very high | 98 Ų | 98 | 42.5 Ų | 42.5 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.1 | -67.7 | 168.1 | 0 | 0 | 0 | 110.4 | V179 I180 L185 V186 L187 | V179-I183 HydrophobicContact CG1-CD1 3.86Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.01Å; I180-I183 PolarHBondContact O-N 3.07Å; I183-L185 VanDerWaalsContact C-N 3.31Å; I183-L185 PolarHBondContact O-N 3.09Å; I183-V186 PolarHBondContact O-N 3.45Å; I183-L187 HydrophobicContact CG2-CD1 4.08Å; I183-L187 HydrophobicContact CG2-CG 4.5Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 3.17Å |
| 184 | A | 98.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I180 A181 T182 L187 M188 L210 | I180-A184 WeakPolarHBondContact O-CB 3.31Å; I180-A184 PolarHBondContact O-N 3.48Å; A181-A184 PolarHBondContact O-N 2.98Å; T182-A184 PolarHBondContact O-N 3.19Å; A184-L187 PolarHBondContact O-N 2.82Å; A184-M188 VanDerWaalsContact O-CG 3.3Å; A184-M188 WeakPolarHBondContact O-CG 3.5Å; A184-M188 PolarHBondContact O-N 3.18Å; A184-L210 HydrophobicContact CB-CB 4.3Å |
| 185 | L | 97.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 177.7 | -177.2 | 64.3 | 0 | 0 | 0 | 112.2 | I108 T112 A181 T182 I183 L187 M188 V189 Y214 | I108-L185 HydrophobicContact CG2-CD1 4.36Å; I108-L185 HydrophobicContact CG2-CD2 4.2Å; T112-L185 HydrophobicContact CG2-CD2 4Å; A181-L185 WeakPolarHBondContact O-CB 3.3Å; A181-L185 PolarHBondContact O-N 3.26Å; T182-L185 PolarHBondContact O-N 3.05Å; I183-L185 VanDerWaalsContact C-N 3.31Å; I183-L185 PolarHBondContact O-N 3.09Å; L185-L187 PolarHBondContact O-N 3.11Å; L185-M188 HydrophobicContact CD1-CE 4.29Å; L185-M188 PolarHBondContact O-N 3.49Å; L185-V189 HydrophobicContact CD1-CG2 3.93Å; L185-V189 HydrophobicContact CG-CG2 4.29Å; L185-V189 WeakPolarHBondContact O-CB 3.39Å; L185-V189 VanDerWaalsContact O-CG2 3.24Å; L185-V189 WeakPolarHBondContact O-CG2 3.3Å; L185-V189 PolarHBondContact O-N 3.43Å; L185-Y214 HydrophobicContact CB-CD2 4.18Å; L185-Y214 HydrophobicContact CB-CE2 4.22Å; L185-Y214 HydrophobicContact CD1-CE2 4.45Å; L185-Y214 HydrophobicContact CD2-CE2 4.4Å |
| 186 | V | 97.7 | Very high | 95.1 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | T182 I183 M188 V189 T190 | T182-V186 WeakPolarHBondContact O-CG2 3.35Å; T182-V186 PolarHBondContact O-N 3.37Å; I183-V186 PolarHBondContact O-N 3.45Å; V186-M188 PolarHBondContact O-N 2.98Å; V186-V189 PolarHBondContact O-N 3.01Å; V186-T190 HydrophobicContact CG1-CG2 4.08Å; V186-T190 WeakPolarHBondContact O-CB 3.35Å; V186-T190 WeakPolarHBondContact O-CG2 3.42Å; V186-T190 PolarHBondContact O-N 3.36Å; V186-T190 PolarHBondContact O-OG1 3.17Å |
| 187 | L | 97.4 | Very high | 94.7 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 42% | 0.424 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.8 | -68.6 | 174.8 | 0 | 0 | 0 | 111.8 | I183 A184 L185 T190 S191 L210 | I183-L187 HydrophobicContact CG2-CD1 4.08Å; I183-L187 HydrophobicContact CG2-CG 4.5Å; I183-L187 WeakPolarHBondContact O-CG 3.43Å; I183-L187 PolarHBondContact O-N 3.17Å; A184-L187 PolarHBondContact O-N 2.82Å; L185-L187 PolarHBondContact O-N 3.11Å; L187-T190 PolarHBondContact O-OG1 3.38Å; L187-T190 VanDerWaalsContact O-OG1 3.08Å; L187-S191 WeakPolarHBondContact O-CB 3.3Å; L187-S191 PolarHBondContact O-N 2.97Å; L187-S191 PolarHBondContact O-OG 3.04Å; L187-L210 HydrophobicContact CB-CD1 3.82Å; L187-L210 HydrophobicContact CD1-CD1 3.84Å |
| 188 | M | 97.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 177.2 | -74.3 | -168.4 | -71.1 | 0 | 0 | 113.2 | A184 L185 V186 S191 A192 T207 L210 F211 Y214 | A184-M188 VanDerWaalsContact O-CG 3.3Å; A184-M188 WeakPolarHBondContact O-CG 3.5Å; A184-M188 PolarHBondContact O-N 3.18Å; L185-M188 HydrophobicContact CD1-CE 4.29Å; L185-M188 PolarHBondContact O-N 3.49Å; V186-M188 PolarHBondContact O-N 2.98Å; M188-S191 PolarHBondContact O-OG 2.87Å; M188-A192 WeakPolarHBondContact O-CB 3.41Å; M188-A192 PolarHBondContact O-N 3.45Å; M188-A192 VanDerWaalsContact O-N 3.15Å; M188-T207 WeakPolarHBondContact CG-O 3.22Å; M188-L210 HydrophobicContact CG-CB 3.92Å; M188-L210 HydrophobicContact SD-CB 4.29Å; M188-F211 HydrophobicContact CE-CB 4.44Å; M188-F211 WeakPolarHBondContact SD-CA 3.32Å; M188-F211 HydrophobicContact SD-CB 3.69Å; M188-F211 PolarHBondContact SD-N 2.8Å; M188-Y214 HydrophobicContact CE-CD2 4.43Å; M188-Y214 HydrophobicContact CE-CG 4.09Å |
| 189 | V | 96.2 | Very high | 93.1 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 29% | 0.291 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.2 | -40.9 | -175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L185 V186 A192 M193 | L185-V189 HydrophobicContact CD1-CG2 3.93Å; L185-V189 HydrophobicContact CG-CG2 4.29Å; L185-V189 WeakPolarHBondContact O-CB 3.39Å; L185-V189 VanDerWaalsContact O-CG2 3.24Å; L185-V189 WeakPolarHBondContact O-CG2 3.3Å; L185-V189 PolarHBondContact O-N 3.43Å; V186-V189 PolarHBondContact O-N 3.01Å; V189-A192 PolarHBondContact O-N 3.36Å; V189-M193 WeakPolarHBondContact O-CG 3.4Å; V189-M193 PolarHBondContact O-N 3.46Å |
| 190 | T | 95.8 | Very high | 92.4 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -49.3 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | V186 L187 A192 M193 I196 | V186-T190 HydrophobicContact CG1-CG2 4.08Å; V186-T190 WeakPolarHBondContact O-CB 3.35Å; V186-T190 WeakPolarHBondContact O-CG2 3.42Å; V186-T190 PolarHBondContact O-N 3.36Å; V186-T190 PolarHBondContact O-OG1 3.17Å; L187-T190 PolarHBondContact O-OG1 3.38Å; L187-T190 VanDerWaalsContact O-OG1 3.08Å; T190-A192 VanDerWaalsContact C-N 3.28Å; T190-A192 PolarHBondContact O-N 2.92Å; T190-M193 HydrophobicContact CG2-CE 4.24Å; T190-M193 VanDerWaalsContact O-CB 3.29Å; T190-M193 WeakPolarHBondContact O-CB 3.46Å; T190-M193 VanDerWaalsContact O-CE 3.3Å; T190-M193 WeakPolarHBondContact O-CE 3.13Å; T190-M193 VanDerWaalsContact O-CG 3.28Å; T190-M193 WeakPolarHBondContact O-CG 3.48Å; T190-M193 PolarHBondContact O-N 2.92Å; T190-I196 WeakPolarHBondContact O-CD1 3.42Å |
| 191 | S | 95.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.028 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -30.3 | 177.5 | 72.3 | 0 | 0 | 0 | 0 | 113.3 | L187 M188 M193 T207 | L187-S191 WeakPolarHBondContact O-CB 3.3Å; L187-S191 PolarHBondContact O-N 2.97Å; L187-S191 PolarHBondContact O-OG 3.04Å; M188-S191 PolarHBondContact O-OG 2.87Å; S191-M193 VanDerWaalsContact C-N 3.26Å; S191-M193 PolarHBondContact O-N 3.14Å; S191-T207 WeakPolarHBondContact CB-OG1 3.45Å; S191-T207 PolarHBondContact OG-OG1 2.89Å |
| 192 | A | 94.4 | Very high | 90.8 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M188 V189 T190 F204 | M188-A192 WeakPolarHBondContact O-CB 3.41Å; M188-A192 PolarHBondContact O-N 3.45Å; M188-A192 VanDerWaalsContact O-N 3.15Å; V189-A192 PolarHBondContact O-N 3.36Å; T190-A192 VanDerWaalsContact C-N 3.28Å; T190-A192 PolarHBondContact O-N 2.92Å; A192-F204 HydrophobicContact CB-CD2 3.92Å; A192-F204 HydrophobicContact CB-CE2 3.94Å |
| 193 | M | 92.4 | Very high | 90.3 | Very high | 74 Ų | 74 | 69.3 Ų | 69.3 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -57.7 | 142.9 | 176.1 | -67.6 | -168 | -73.1 | 0 | 0 | 111.2 | V189 T190 S191 F195 I196 R197 | V189-M193 WeakPolarHBondContact O-CG 3.4Å; V189-M193 PolarHBondContact O-N 3.46Å; T190-M193 HydrophobicContact CG2-CE 4.24Å; T190-M193 VanDerWaalsContact O-CB 3.29Å; T190-M193 WeakPolarHBondContact O-CB 3.46Å; T190-M193 VanDerWaalsContact O-CE 3.3Å; T190-M193 WeakPolarHBondContact O-CE 3.13Å; T190-M193 VanDerWaalsContact O-CG 3.28Å; T190-M193 WeakPolarHBondContact O-CG 3.48Å; T190-M193 PolarHBondContact O-N 2.92Å; S191-M193 VanDerWaalsContact C-N 3.26Å; S191-M193 PolarHBondContact O-N 3.14Å; M193-F195 HydrophobicContact CB-CD1 3.8Å; M193-F195 HydrophobicContact CB-CE1 3.67Å; M193-F195 HydrophobicContact CE-CE1 3.32Å; M193-F195 HydrophobicContact CE-CZ 3.49Å; M193-F195 VanDerWaalsContact CE-CZ 3.49Å; M193-F195 HydrophobicContact CG-CE1 4.26Å; M193-F195 PolarHBondContact O-N 2.74Å; M193-F195 VanDerWaalsContact O-N 3.13Å; M193-F195 HydrophobicContact SD-CD1 4.48Å; M193-F195 HydrophobicContact SD-CE1 3.62Å; M193-F195 HydrophobicContact SD-CZ 4.4Å; M193-I196 HydrophobicContact CE-CD1 4.18Å; M193-I196 PolarHBondContact O-N 3.39Å; M193-I196 VanDerWaalsContact O-N 3.08Å; M193-R197 WeakPolarHBondContact O-CB 3.36Å; M193-R197 PolarHBondContact O-N 3.06Å |
| 194 | E | 87.6 | Confident | 89.9 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -32.3 | -170.4 | -177.2 | 166.3 | 143.5 | 0 | 0 | 113.3 | R198 R534 | E194-R198 HydrophobicContact CG-CG 4.33Å; E194-R198 VanDerWaalsContact O-CB 3.31Å; E194-R198 WeakPolarHBondContact O-CB 3.32Å; E194-R198 WeakPolarHBondContact O-CD 3.41Å; E194-R198 WeakPolarHBondContact O-CG 3.38Å; E194-R198 PolarHBondContact O-N 3.09Å; E194-R198 IonicContact OE1-CZ 3.99Å; E194-R198 IonicContact OE1-NE 3.6Å; E194-R198 PolarHBondContact OE1-NE 3.33Å; E194-R198 IonicContact OE1-NH2 2.94Å; E194-R198 PolarHBondContact OE1-NH2 3.11Å; E194-R534 IonicContact OE1-CZ 3.72Å; E194-R534 IonicContact OE1-NH1 2.68Å; E194-R534 PolarHBondContact OE1-NH1 2.9Å; E194-R534 IonicContact OE1-NH2 2.79Å; E194-R534 IonicContact OE2-CZ 3.23Å; E194-R534 IonicContact OE2-NH1 2.96Å; E194-R534 PolarHBondContact OE2-NH1 2.94Å; E194-R534 IonicContact OE2-NH2 2.78Å; E194-R534 PolarHBondContact OE2-NH2 3.38Å; E194-R534 VanDerWaalsContact OE2-NH2 3.07Å |
| 195 | F | 87.9 | Confident | 89.3 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 55% | 0.553 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -73.1 | -37.2 | 178.2 | 77.4 | -92.4 | 0 | 0 | 0 | 112.8 | M193 N199 | M193-F195 HydrophobicContact CB-CD1 3.8Å; M193-F195 HydrophobicContact CB-CE1 3.67Å; M193-F195 HydrophobicContact CE-CE1 3.32Å; M193-F195 HydrophobicContact CE-CZ 3.49Å; M193-F195 VanDerWaalsContact CE-CZ 3.49Å; M193-F195 HydrophobicContact CG-CE1 4.26Å; M193-F195 PolarHBondContact O-N 2.74Å; M193-F195 VanDerWaalsContact O-N 3.13Å; M193-F195 HydrophobicContact SD-CD1 4.48Å; M193-F195 HydrophobicContact SD-CE1 3.62Å; M193-F195 HydrophobicContact SD-CZ 4.4Å; F195-N199 PolarHBondContact O-ND2 2.8Å |
| 196 | I | 87.9 | Confident | 88.9 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.8 | -56.5 | 177.9 | -58 | -166.8 | 0 | 0 | 0 | 109.1 | T190 M193 R198 N199 Y200 L203 | T190-I196 WeakPolarHBondContact O-CD1 3.42Å; M193-I196 HydrophobicContact CE-CD1 4.18Å; M193-I196 PolarHBondContact O-N 3.39Å; M193-I196 VanDerWaalsContact O-N 3.08Å; I196-R198 PolarHBondContact O-N 2.85Å; I196-N199 PolarHBondContact O-N 2.82Å; I196-Y200 HydrophobicContact CG2-CD2 4.49Å; I196-Y200 PolarHBondContact O-N 3.2Å; I196-L203 HydrophobicContact CG2-CD2 4.03Å |
| 197 | R | 87 | Confident | 88.7 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57 | -30.1 | -175 | -173.8 | -175.4 | 64.1 | 70.9 | 11.9 | 114 | M193 F201 F204 | M193-R197 WeakPolarHBondContact O-CB 3.36Å; M193-R197 PolarHBondContact O-N 3.06Å; R197-F201 HydrophobicContact CG-CD2 4.12Å; R197-F204 HydrophobicContact CB-CB 4.16Å; R197-F204 HydrophobicContact CB-CG 4.26Å; R197-F204 HydrophobicContact CG-CB 3.9Å; R197-F204 HydrophobicContact CG-CD1 3.66Å; R197-F204 HydrophobicContact CG-CD2 4.13Å; R197-F204 HydrophobicContact CG-CE1 4.21Å; R197-F204 HydrophobicContact CG-CG 3.6Å |
| 198 | R | 76.5 | Confident | 88.6 | Confident | 143 Ų | 143 | 70 Ų | 70 | 54% | 0.54 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.1 | -29.4 | 178 | -79.6 | 178 | 176.4 | -148.7 | 5.8 | 113.7 | E194 I196 | E194-R198 HydrophobicContact CG-CG 4.33Å; E194-R198 VanDerWaalsContact O-CB 3.31Å; E194-R198 WeakPolarHBondContact O-CB 3.32Å; E194-R198 WeakPolarHBondContact O-CD 3.41Å; E194-R198 WeakPolarHBondContact O-CG 3.38Å; E194-R198 PolarHBondContact O-N 3.09Å; E194-R198 IonicContact OE1-CZ 3.99Å; E194-R198 IonicContact OE1-NE 3.6Å; E194-R198 PolarHBondContact OE1-NE 3.33Å; E194-R198 IonicContact OE1-NH2 2.94Å; E194-R198 PolarHBondContact OE1-NH2 3.11Å; I196-R198 PolarHBondContact O-N 2.85Å |
| 199 | N | 79.2 | Confident | 88.5 | Confident | 120 Ų | 120 | 72 Ų | 72 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -102.1 | -29.4 | -177 | -63.7 | -55.5 | 0 | 0 | 0 | 112.1 | F195 I196 | F195-N199 PolarHBondContact O-ND2 2.8Å; I196-N199 PolarHBondContact O-N 2.82Å |
| 200 | Y | 82.7 | Confident | 88.5 | Confident | 154 Ų | 154 | 72.1 Ų | 72.1 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | trans | -133.1 | 70.2 | -175.9 | -56.1 | -76.8 | 0 | 0 | 0 | 109.9 | I196 E202 L203 F204 | I196-Y200 HydrophobicContact CG2-CD2 4.49Å; I196-Y200 PolarHBondContact O-N 3.2Å; Y200-E202 PolarHBondContact O-N 3.43Å; Y200-L203 PolarHBondContact O-N 2.79Å; Y200-F204 PolarHBondContact O-N 2.84Å | ||
| 201 | F | 78.1 | Confident | 88.5 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 40% | 0.404 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | -176.9 | -174.5 | -96.9 | 0 | 0 | 0 | 112.4 | R197 L203 F204 W205 | R197-F201 HydrophobicContact CG-CD2 4.12Å; F201-L203 PolarHBondContact O-N 2.8Å; F201-F204 AromaticContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CE1 4.44Å; F201-F204 AromaticContact CE2-CD1 3.77Å; F201-F204 HydrophobicContact CE2-CD1 3.77Å; F201-F204 AromaticContact CE2-CE1 3.81Å; F201-F204 HydrophobicContact CE2-CE1 3.81Å; F201-F204 HydrophobicContact CZ-CD1 4.24Å; F201-F204 HydrophobicContact CZ-CE1 4.15Å; F201-F204 VanDerWaalsContact O-CB 3.32Å; F201-F204 WeakPolarHBondContact O-CB 3.43Å; F201-F204 PolarHBondContact O-N 3.34Å; F201-W205 PolarHBondContact O-N 2.85Å |
| 202 | E | 81.5 | Confident | 88.5 | Confident | 46 Ų | 46 | 75.7 Ų | 75.7 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 177.3 | -66.8 | -50.8 | 117.5 | 0 | 0 | 112.2 | Y200 F204 W205 Y206 | Y200-E202 PolarHBondContact O-N 3.43Å; E202-F204 VanDerWaalsContact C-N 3.29Å; E202-F204 PolarHBondContact O-N 2.96Å; E202-W205 PolarHBondContact O-N 3.29Å; E202-Y206 HydrophobicContact CB-CD2 4.37Å; E202-Y206 HydrophobicContact CB-CE2 4.23Å; E202-Y206 WeakPolarHBondContact O-CD2 3.33Å; E202-Y206 PolarHBondContact O-N 2.96Å; E202-Y206 WeakPolarHBondContact OE2-CE2 3.5Å |
| 203 | L | 87.9 | Confident | 88.6 | Confident | 89 Ų | 89 | 77 Ų | 77 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.7 | -46 | 176.3 | 176.7 | 63.3 | 0 | 0 | 0 | 111 | I196 Y200 F201 T207 | I196-L203 HydrophobicContact CG2-CD2 4.03Å; Y200-L203 PolarHBondContact O-N 2.79Å; F201-L203 PolarHBondContact O-N 2.8Å; L203-T207 HydrophobicContact CD1-CG2 3.82Å; L203-T207 HydrophobicContact CG-CG2 4.5Å; L203-T207 WeakPolarHBondContact O-CB 3.19Å; L203-T207 VanDerWaalsContact O-CG2 3.3Å; L203-T207 WeakPolarHBondContact O-CG2 3.29Å; L203-T207 PolarHBondContact O-N 3.23Å; L203-T207 VanDerWaalsContact O-N 3.11Å; L203-T207 PolarHBondContact O-OG1 3.36Å |
| 204 | F | 89.2 | Confident | 88.8 | Confident | 33 Ų | 33 | 74.3 Ų | 74.3 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.7 | -52.7 | 172.6 | 154.5 | -104.5 | 0 | 0 | 0 | 110.6 | A192 R197 Y200 F201 E202 Y206 T207 H208 | A192-F204 HydrophobicContact CB-CD2 3.92Å; A192-F204 HydrophobicContact CB-CE2 3.94Å; R197-F204 HydrophobicContact CB-CB 4.16Å; R197-F204 HydrophobicContact CB-CG 4.26Å; R197-F204 HydrophobicContact CG-CB 3.9Å; R197-F204 HydrophobicContact CG-CD1 3.66Å; R197-F204 HydrophobicContact CG-CD2 4.13Å; R197-F204 HydrophobicContact CG-CE1 4.21Å; R197-F204 HydrophobicContact CG-CG 3.6Å; Y200-F204 PolarHBondContact O-N 2.84Å; F201-F204 AromaticContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CD1 3.95Å; F201-F204 HydrophobicContact CD2-CE1 4.44Å; F201-F204 AromaticContact CE2-CD1 3.77Å; F201-F204 HydrophobicContact CE2-CD1 3.77Å; F201-F204 AromaticContact CE2-CE1 3.81Å; F201-F204 HydrophobicContact CE2-CE1 3.81Å; F201-F204 HydrophobicContact CZ-CD1 4.24Å; F201-F204 HydrophobicContact CZ-CE1 4.15Å; F201-F204 VanDerWaalsContact O-CB 3.32Å; F201-F204 WeakPolarHBondContact O-CB 3.43Å; F201-F204 PolarHBondContact O-N 3.34Å; E202-F204 VanDerWaalsContact C-N 3.29Å; E202-F204 PolarHBondContact O-N 2.96Å; F204-Y206 PolarHBondContact O-N 3.48Å; F204-T207 PolarHBondContact O-N 3.29Å; F204-T207 PolarHBondContact O-OG1 2.9Å; F204-T207 VanDerWaalsContact O-OG1 3.14Å; F204-H208 HydrophobicContact CD2-CB 4.45Å; F204-H208 HydrophobicContact CE2-CB 4.18Å; F204-H208 AromaticContact CE2-CE1 3.98Å; F204-H208 AromaticContact CE2-CG 3.75Å; F204-H208 AromaticContact CE2-ND1 3.67Å; F204-H208 VanDerWaalsContact O-CB 3.28Å; F204-H208 WeakPolarHBondContact O-CB 3.28Å; F204-H208 PolarHBondContact O-N 3.44Å |
| 205 | W | 85.6 | Confident | 89.2 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.3 | -49.9 | -174.2 | -168.5 | 98.7 | 0 | 0 | 0 | 112.4 | F201 E202 H208 H209 L335 | F201-W205 PolarHBondContact O-N 2.85Å; E202-W205 PolarHBondContact O-N 3.29Å; W205-H208 PolarHBondContact O-N 3.39Å; W205-H209 AromaticContact CD2-CE1 3.61Å; W205-H209 AromaticContact CE2-CE1 3.46Å; W205-H209 VanDerWaalsContact CE2-CE1 3.46Å; W205-H209 AromaticContact CE3-CE1 3.68Å; W205-H209 AromaticContact CE3-ND1 3.79Å; W205-H209 AromaticContact CH2-CE1 3.46Å; W205-H209 VanDerWaalsContact CH2-CE1 3.46Å; W205-H209 WeakPolarHBondContact CH2-CE1 3.23Å; W205-H209 AromaticContact CH2-NE2 3.93Å; W205-H209 AromaticContact CZ2-CE1 3.4Å; W205-H209 VanDerWaalsContact CZ2-CE1 3.4Å; W205-H209 WeakPolarHBondContact CZ2-CE1 3.38Å; W205-H209 AromaticContact CZ2-NE2 3.93Å; W205-H209 AromaticContact CZ3-CE1 3.59Å; W205-H209 AromaticContact CZ3-ND1 3.85Å; W205-H209 PolarHBondContact O-ND1 2.79Å; W205-L335 HydrophobicContact CH2-CB 4.17Å |
| 206 | Y | 89 | Confident | 89.5 | Confident | 117 Ų | 117 | 70.2 Ų | 70.2 | 46% | 0.459 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | -179.2 | -72.3 | -68.9 | 0 | 0 | 0 | 112.3 | E202 F204 H208 H209 | E202-Y206 HydrophobicContact CB-CD2 4.37Å; E202-Y206 HydrophobicContact CB-CE2 4.23Å; E202-Y206 WeakPolarHBondContact O-CD2 3.33Å; E202-Y206 PolarHBondContact O-N 2.96Å; E202-Y206 WeakPolarHBondContact OE2-CE2 3.5Å; F204-Y206 PolarHBondContact O-N 3.48Å; Y206-H208 VanDerWaalsContact C-N 3.3Å; Y206-H208 PolarHBondContact O-N 3.42Å; Y206-H209 PolarHBondContact O-N 2.86Å |
| 207 | T | 94.4 | Very high | 89.9 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 17% | 0.166 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.3 | -30.1 | -179.8 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | M188 S191 L203 F204 H209 L210 | M188-T207 WeakPolarHBondContact CG-O 3.22Å; S191-T207 WeakPolarHBondContact CB-OG1 3.45Å; S191-T207 PolarHBondContact OG-OG1 2.89Å; L203-T207 HydrophobicContact CD1-CG2 3.82Å; L203-T207 HydrophobicContact CG-CG2 4.5Å; L203-T207 WeakPolarHBondContact O-CB 3.19Å; L203-T207 VanDerWaalsContact O-CG2 3.3Å; L203-T207 WeakPolarHBondContact O-CG2 3.29Å; L203-T207 PolarHBondContact O-N 3.23Å; L203-T207 VanDerWaalsContact O-N 3.11Å; L203-T207 PolarHBondContact O-OG1 3.36Å; F204-T207 PolarHBondContact O-N 3.29Å; F204-T207 PolarHBondContact O-OG1 2.9Å; F204-T207 VanDerWaalsContact O-OG1 3.14Å; T207-H209 PolarHBondContact O-N 2.87Å; T207-L210 WeakPolarHBondContact O-CB 3.43Å; T207-L210 VanDerWaalsContact O-CG 3.22Å; T207-L210 WeakPolarHBondContact O-CG 3.32Å; T207-L210 PolarHBondContact O-N 3.43Å; T207-L210 VanDerWaalsContact O-N 3.09Å |
| 208 | H | 95 | Very high | 90.2 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -25.4 | 177.5 | -137.6 | 61.6 | 0 | 0 | 0 | 112.6 | H101 F204 W205 Y206 L210 F211 | H101-H208 AromaticContact NE2-NE2 3.99Å; F204-H208 HydrophobicContact CD2-CB 4.45Å; F204-H208 HydrophobicContact CE2-CB 4.18Å; F204-H208 AromaticContact CE2-CE1 3.98Å; F204-H208 AromaticContact CE2-CG 3.75Å; F204-H208 AromaticContact CE2-ND1 3.67Å; F204-H208 VanDerWaalsContact O-CB 3.28Å; F204-H208 WeakPolarHBondContact O-CB 3.28Å; F204-H208 PolarHBondContact O-N 3.44Å; W205-H208 PolarHBondContact O-N 3.39Å; Y206-H208 VanDerWaalsContact C-N 3.3Å; Y206-H208 PolarHBondContact O-N 3.42Å; H208-L210 PolarHBondContact O-N 2.88Å; H208-F211 VanDerWaalsContact O-CD1 3.3Å; H208-F211 WeakPolarHBondContact O-CD1 3.42Å; H208-F211 PolarHBondContact O-N 3.37Å |
| 209 | H | 94.1 | Very high | 91 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.2 | 175.1 | -74 | 82.1 | 0 | 0 | 0 | 113.8 | W205 Y206 T207 F211 I212 | W205-H209 AromaticContact CD2-CE1 3.61Å; W205-H209 AromaticContact CE2-CE1 3.46Å; W205-H209 VanDerWaalsContact CE2-CE1 3.46Å; W205-H209 AromaticContact CE3-CE1 3.68Å; W205-H209 AromaticContact CE3-ND1 3.79Å; W205-H209 AromaticContact CH2-CE1 3.46Å; W205-H209 VanDerWaalsContact CH2-CE1 3.46Å; W205-H209 WeakPolarHBondContact CH2-CE1 3.23Å; W205-H209 AromaticContact CH2-NE2 3.93Å; W205-H209 AromaticContact CZ2-CE1 3.4Å; W205-H209 VanDerWaalsContact CZ2-CE1 3.4Å; W205-H209 WeakPolarHBondContact CZ2-CE1 3.38Å; W205-H209 AromaticContact CZ2-NE2 3.93Å; W205-H209 AromaticContact CZ3-CE1 3.59Å; W205-H209 AromaticContact CZ3-ND1 3.85Å; W205-H209 PolarHBondContact O-ND1 2.79Å; Y206-H209 PolarHBondContact O-N 2.86Å; T207-H209 PolarHBondContact O-N 2.87Å; H209-F211 PolarHBondContact O-N 3.41Å; H209-I212 WeakPolarHBondContact O-CG1 3.46Å; H209-I212 PolarHBondContact O-N 3.43Å; H209-I212 VanDerWaalsContact O-N 3.09Å |
| 210 | L | 96.8 | Very high | 91.7 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -8.5 | 169.2 | -64.5 | 174.1 | 0 | 0 | 0 | 112.8 | A184 L187 M188 T207 H208 I212 V213 Y214 | A184-L210 HydrophobicContact CB-CB 4.3Å; L187-L210 HydrophobicContact CB-CD1 3.82Å; L187-L210 HydrophobicContact CD1-CD1 3.84Å; M188-L210 HydrophobicContact CG-CB 3.92Å; M188-L210 HydrophobicContact SD-CB 4.29Å; T207-L210 WeakPolarHBondContact O-CB 3.43Å; T207-L210 VanDerWaalsContact O-CG 3.22Å; T207-L210 WeakPolarHBondContact O-CG 3.32Å; T207-L210 PolarHBondContact O-N 3.43Å; T207-L210 VanDerWaalsContact O-N 3.09Å; H208-L210 PolarHBondContact O-N 2.88Å; L210-I212 PolarHBondContact O-N 2.93Å; L210-V213 HydrophobicContact CD2-CG2 4.44Å; L210-V213 PolarHBondContact O-N 3.38Å; L210-V213 VanDerWaalsContact O-N 3.09Å; L210-Y214 PolarHBondContact O-N 3.04Å |
| 211 | F | 95.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 19% | 0.193 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.2 | -29.8 | 170.1 | 85.9 | -93.3 | 0 | 0 | 0 | 111.8 | L68 M188 H208 H209 Y214 I215 Y280 | L68-F211 HydrophobicContact CD2-CD2 4.47Å; L68-F211 HydrophobicContact CD2-CE2 4.49Å; M188-F211 HydrophobicContact CE-CB 4.44Å; M188-F211 WeakPolarHBondContact SD-CA 3.32Å; M188-F211 HydrophobicContact SD-CB 3.69Å; M188-F211 PolarHBondContact SD-N 2.8Å; H208-F211 VanDerWaalsContact O-CD1 3.3Å; H208-F211 WeakPolarHBondContact O-CD1 3.42Å; H208-F211 PolarHBondContact O-N 3.37Å; H209-F211 PolarHBondContact O-N 3.41Å; F211-Y214 PolarHBondContact O-N 3.23Å; F211-I215 HydrophobicContact CD2-CG1 4.41Å; F211-I215 WeakPolarHBondContact O-CB 3.49Å; F211-I215 WeakPolarHBondContact O-CG1 3.31Å; F211-I215 PolarHBondContact O-N 3.07Å; F211-Y280 HydrophobicContact CE2-CE1 4.13Å; F211-Y280 AromaticContact CZ-CE1 3.76Å; F211-Y280 HydrophobicContact CZ-CE1 3.76Å |
| 212 | I | 95.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 46% | 0.456 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 176.6 | -60.2 | 171.8 | 0 | 0 | 0 | 109.9 | H209 L210 I215 I216 | H209-I212 WeakPolarHBondContact O-CG1 3.46Å; H209-I212 PolarHBondContact O-N 3.43Å; H209-I212 VanDerWaalsContact O-N 3.09Å; L210-I212 PolarHBondContact O-N 2.93Å; I212-I215 PolarHBondContact O-N 3.18Å; I212-I216 HydrophobicContact CG2-CD1 3.98Å; I212-I216 VanDerWaalsContact O-CG1 3.31Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 2.85Å |
| 213 | V | 96.9 | Very high | 93.1 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | I180 L210 I215 I216 C217 | I180-V213 HydrophobicContact CG2-CG1 3.92Å; L210-V213 HydrophobicContact CD2-CG2 4.44Å; L210-V213 PolarHBondContact O-N 3.38Å; L210-V213 VanDerWaalsContact O-N 3.09Å; V213-I215 PolarHBondContact O-N 2.88Å; V213-I216 PolarHBondContact O-N 3.21Å; V213-C217 WeakPolarHBondContact O-CB 3.48Å; V213-C217 PolarHBondContact O-N 2.9Å; V213-C217 PolarHBondContact O-SG 3.08Å; V213-C217 VanDerWaalsContact O-SG 3.36Å |
| 214 | Y | 97.1 | Very high | 92.9 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -46.8 | 177.9 | 174 | -91.4 | 0 | 0 | 0 | 112.6 | N64 A181 L185 M188 L210 F211 C217 L218 | N64-Y214 PolarHBondContact ND2-OH 3.22Å; N64-Y214 VanDerWaalsContact OD1-CE1 3.23Å; N64-Y214 WeakPolarHBondContact OD1-CE1 2.93Å; N64-Y214 PolarHBondContact OD1-OH 3.44Å; A181-Y214 HydrophobicContact CB-CD2 4.06Å; A181-Y214 HydrophobicContact CB-CE2 4.38Å; A181-Y214 WeakPolarHBondContact O-CD2 3.31Å; L185-Y214 HydrophobicContact CB-CD2 4.18Å; L185-Y214 HydrophobicContact CB-CE2 4.22Å; L185-Y214 HydrophobicContact CD1-CE2 4.45Å; L185-Y214 HydrophobicContact CD2-CE2 4.4Å; M188-Y214 HydrophobicContact CE-CD2 4.43Å; M188-Y214 HydrophobicContact CE-CG 4.09Å; L210-Y214 PolarHBondContact O-N 3.04Å; F211-Y214 PolarHBondContact O-N 3.23Å; Y214-C217 PolarHBondContact O-N 3.35Å; Y214-L218 HydrophobicContact CE1-CD2 4.17Å; Y214-L218 WeakPolarHBondContact O-CB 3.09Å; Y214-L218 PolarHBondContact O-N 3.23Å |
| 215 | I | 95.1 | Very high | 92.8 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -39.9 | -179.1 | -72.8 | -66.6 | 0 | 0 | 0 | 111.8 | F211 I212 V213 L218 G219 I273 I277 | F211-I215 HydrophobicContact CD2-CG1 4.41Å; F211-I215 WeakPolarHBondContact O-CB 3.49Å; F211-I215 WeakPolarHBondContact O-CG1 3.31Å; F211-I215 PolarHBondContact O-N 3.07Å; I212-I215 PolarHBondContact O-N 3.18Å; V213-I215 PolarHBondContact O-N 2.88Å; I215-L218 HydrophobicContact CD1-CD2 4.46Å; I215-L218 PolarHBondContact O-N 2.86Å; I215-G219 PolarHBondContact O-N 2.82Å; I215-I273 HydrophobicContact CD1-CG2 4.44Å; I215-I273 HydrophobicContact CG2-CD1 4.07Å; I215-I277 HydrophobicContact CG2-CD1 3.38Å; I215-I277 HydrophobicContact CG2-CG1 4.15Å |
| 216 | I | 94.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 54% | 0.538 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.7 | -69.2 | 167.5 | 0 | 0 | 0 | 110.3 | I212 V213 L218 G219 T220 | I212-I216 HydrophobicContact CG2-CD1 3.98Å; I212-I216 VanDerWaalsContact O-CG1 3.31Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 2.85Å; V213-I216 PolarHBondContact O-N 3.21Å; I216-L218 PolarHBondContact O-N 3.3Å; I216-G219 PolarHBondContact O-N 3.43Å; I216-T220 PolarHBondContact O-N 3.15Å; I216-T220 VanDerWaalsContact O-N 3.14Å; I216-T220 PolarHBondContact O-OG1 3.09Å |
| 217 | C | 95.8 | Very high | 93 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 8% | 0.081 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 176.1 | -69.6 | 0 | 0 | 0 | 0 | 111.3 | A181 V213 Y214 G219 T220 H221 | A181-C217 HydrophobicContact CB-CB 3.8Å; V213-C217 WeakPolarHBondContact O-CB 3.48Å; V213-C217 PolarHBondContact O-N 2.9Å; V213-C217 PolarHBondContact O-SG 3.08Å; V213-C217 VanDerWaalsContact O-SG 3.36Å; Y214-C217 PolarHBondContact O-N 3.35Å; C217-G219 VanDerWaalsContact C-N 3.33Å; C217-G219 PolarHBondContact O-N 2.9Å; C217-T220 PolarHBondContact O-N 3.26Å; C217-T220 PolarHBondContact O-OG1 2.72Å; C217-H221 WeakPolarHBondContact O-CA 3.33Å; C217-H221 WeakPolarHBondContact O-CB 3.3Å; C217-H221 PolarHBondContact O-N 3.12Å |
| 218 | L | 94.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 177.4 | -178.6 | 64.7 | 0 | 0 | 0 | 112.2 | N64 Y214 I215 I216 T220 S269 I273 | N64-L218 HydrophobicContact CB-CD2 3.69Å; Y214-L218 HydrophobicContact CE1-CD2 4.17Å; Y214-L218 WeakPolarHBondContact O-CB 3.09Å; Y214-L218 PolarHBondContact O-N 3.23Å; I215-L218 HydrophobicContact CD1-CD2 4.46Å; I215-L218 PolarHBondContact O-N 2.86Å; I216-L218 PolarHBondContact O-N 3.3Å; L218-T220 VanDerWaalsContact C-N 3.35Å; L218-S269 WeakPolarHBondContact O-CB 3.49Å; L218-I273 HydrophobicContact CD2-CG2 3.98Å |
| 219 | G | 93.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I215 I216 C217 | I215-G219 PolarHBondContact O-N 2.82Å; I216-G219 PolarHBondContact O-N 3.43Å; C217-G219 VanDerWaalsContact C-N 3.33Å; C217-G219 PolarHBondContact O-N 2.9Å |
| 220 | T | 93.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 30% | 0.301 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -93.1 | -16.1 | -178.4 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | I216 C217 L218 G222 L223 | I216-T220 PolarHBondContact O-N 3.15Å; I216-T220 VanDerWaalsContact O-N 3.14Å; I216-T220 PolarHBondContact O-OG1 3.09Å; C217-T220 PolarHBondContact O-N 3.26Å; C217-T220 PolarHBondContact O-OG1 2.72Å; L218-T220 VanDerWaalsContact C-N 3.35Å; T220-G222 VanDerWaalsContact C-N 3.26Å; T220-G222 PolarHBondContact O-N 3.26Å; T220-G222 VanDerWaalsContact O-N 3.17Å; T220-L223 HydrophobicContact CG2-CD1 3.91Å; T220-L223 VanDerWaalsContact O-CB 3.27Å; T220-L223 WeakPolarHBondContact O-CB 3.41Å; T220-L223 WeakPolarHBondContact O-CG 3.39Å; T220-L223 PolarHBondContact O-N 3.21Å |
| 221 | H | 93.3 | Very high | 92.3 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.7 | -38.1 | -174.1 | -177 | 68.9 | 0 | 0 | 0 | 113.7 | H115 A174 T177 G178 C217 L223 | H115-H221 AromaticContact NE2-NE2 3.7Å; A174-H221 WeakPolarHBondContact CA-O 3.46Å; A174-H221 WeakPolarHBondContact CB-O 3.38Å; A174-H221 PolarHBondContact O-CE1 3.07Å; A174-H221 PolarHBondContact O-ND1 3.32Å; T177-H221 WeakPolarHBondContact OG1-CA 3.27Å; T177-H221 PolarHBondContact OG1-ND1 3.34Å; G178-H221 PolarHBondContact N-ND1 2.91Å; C217-H221 WeakPolarHBondContact O-CA 3.33Å; C217-H221 WeakPolarHBondContact O-CB 3.3Å; C217-H221 PolarHBondContact O-N 3.12Å; H221-L223 VanDerWaalsContact C-N 3.34Å; H221-L223 PolarHBondContact O-N 3.11Å |
| 222 | G | 89.3 | Confident | 92.1 | Very high | 25 Ų | 25 | 38 Ų | 38 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -78.5 | -8.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T220 G224 G225 | T220-G222 VanDerWaalsContact C-N 3.26Å; T220-G222 PolarHBondContact O-N 3.26Å; T220-G222 VanDerWaalsContact O-N 3.17Å; G222-G224 PolarHBondContact O-N 2.84Å; G222-G225 PolarHBondContact O-N 3.05Å |
| 223 | L | 89.6 | Confident | 91.8 | Very high | 107 Ų | 107 | 40.9 Ų | 40.9 | 56% | 0.56 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -63.9 | -26.3 | -173.2 | -72.1 | 169.6 | 0 | 0 | 0 | 113.3 | V173 T220 H221 G225 P267 | V173-L223 HydrophobicContact CG1-CB 4.38Å; T220-L223 HydrophobicContact CG2-CD1 3.91Å; T220-L223 VanDerWaalsContact O-CB 3.27Å; T220-L223 WeakPolarHBondContact O-CB 3.41Å; T220-L223 WeakPolarHBondContact O-CG 3.39Å; T220-L223 PolarHBondContact O-N 3.21Å; H221-L223 VanDerWaalsContact C-N 3.34Å; H221-L223 PolarHBondContact O-N 3.11Å; L223-G225 PolarHBondContact O-N 3.21Å; L223-P267 HydrophobicContact CD2-CB 4.28Å; L223-P267 HydrophobicContact CD2-CG 3.85Å |
| 224 | G | 83.9 | Confident | 91.3 | Very high | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -70.1 | -12.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G222 I226 | G222-G224 PolarHBondContact O-N 2.84Å; G224-I226 PolarHBondContact O-N 3.36Å |
| 225 | G | 87.1 | Confident | 91 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | trans | 56.8 | 23.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G222 L223 V227 R228 G264 | G222-G225 PolarHBondContact O-N 3.05Å; L223-G225 PolarHBondContact O-N 3.21Å; G225-V227 PolarHBondContact O-N 3.41Å; G225-R228 WeakPolarHBondContact O-CG 3.32Å; G225-G264 WeakPolarHBondContact O-CA 3.36Å | ||
| 226 | I | 87.7 | Confident | 90.7 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | trans | -62.4 | -29.5 | -169.4 | -61.4 | -178.2 | 0 | 0 | 0 | 112.8 | F123 Y126 P157 A174 G224 R228 | F123-I226 HydrophobicContact CZ-CD1 4.39Å; Y126-I226 HydrophobicContact CE2-CG2 4.47Å; P157-I226 HydrophobicContact CB-CG2 4.05Å; P157-I226 HydrophobicContact CG-CG2 3.77Å; A174-I226 HydrophobicContact CB-CD1 3.57Å; A174-I226 HydrophobicContact CB-CG1 4.35Å; G224-I226 PolarHBondContact O-N 3.36Å; I226-R228 PolarHBondContact O-N 3.44Å | ||
| 227 | V | 89.8 | Confident | 90.3 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -87.3 | 105.9 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 108 | Y33 L50 G225 H265 | Y33-V227 HydrophobicContact CE1-CG1 4.34Å; L50-V227 HydrophobicContact CD1-CG1 3.6Å; L50-V227 HydrophobicContact CD1-CG2 4.36Å; G225-V227 PolarHBondContact O-N 3.41Å; V227-H265 WeakPolarHBondContact O-CB 3.25Å; V227-H265 PolarHBondContact O-N 3.03Å |
| 228 | R | 91.7 | Very high | 89.8 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 3% | 0.034 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 152.1 | -178.9 | -48.9 | -179.4 | 75.4 | 97.3 | -5.4 | 110.6 | T42 D152 W154 L155 G225 I226 F262 V263 | T42-R228 WeakPolarHBondContact CG2-O 3.49Å; T42-R228 PolarHBondContact OG1-O 3.04Å; D152-R228 PolarHBondContact O-NH2 3.39Å; D152-R228 IonicContact OD2-CZ 3.97Å; D152-R228 IonicContact OD2-NH1 3.35Å; D152-R228 IonicContact OD2-NH2 3.09Å; D152-R228 PolarHBondContact OD2-NH2 3.31Å; W154-R228 VanDerWaalsContact CE2-CZ 3.41Å; W154-R228 HydrophobicContact CH2-CG 4.46Å; W154-R228 HydrophobicContact CZ3-CG 4.46Å; W154-R228 WeakPolarHBondContact O-CD 3.44Å; W154-R228 PolarHBondContact O-NE 3.09Å; L155-R228 HydrophobicContact CD1-CB 4.05Å; G225-R228 WeakPolarHBondContact O-CG 3.32Å; I226-R228 PolarHBondContact O-N 3.44Å; R228-F262 HydrophobicContact CB-CB 4.12Å; R228-F262 PolarHBondContact NH2-O 3.46Å; R228-F262 VanDerWaalsContact NH2-O 3.12Å; R228-V263 VanDerWaalsContact CA-O 3.26Å; R228-V263 WeakPolarHBondContact CA-O 3.4Å; R228-V263 WeakPolarHBondContact CB-O 3.38Å |
| 229 | G | 91.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 162.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | K38 F262 V263 | K38-G229 CarbonylContact O-C 3.52Å; K38-G229 WeakPolarHBondContact O-CA 3.49Å; G229-F262 WeakPolarHBondContact O-CA 3.21Å; G229-V263 PolarHBondContact N-O 2.97Å; G229-V263 VanDerWaalsContact N-O 3.1Å; G229-V263 PolarHBondContact O-N 3Å |
| 230 | Q | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 141.8 | 179.5 | -165.4 | 176.5 | 1.8 | 0 | 0 | 110.2 | K38 S234 M235 S238 P260 H261 F262 | K38-Q230 PolarHBondContact O-N 2.7Å; Q230-S234 VanDerWaalsContact CG-OG 3.24Å; Q230-S234 WeakPolarHBondContact CG-OG 3.43Å; Q230-S234 PolarHBondContact NE2-O 3.25Å; Q230-S234 VanDerWaalsContact NE2-O 3.17Å; Q230-S234 PolarHBondContact NE2-OG 3.4Å; Q230-M235 HydrophobicContact CB-CG 3.85Å; Q230-M235 HydrophobicContact CB-SD 4.37Å; Q230-M235 VanDerWaalsContact CD-CG 3.42Å; Q230-M235 HydrophobicContact CG-CG 3.67Å; Q230-S238 PolarHBondContact NE2-O 3.07Å; Q230-P260 HydrophobicContact CG-CB 4.15Å; Q230-H261 WeakPolarHBondContact CA-O 3.35Å; Q230-F262 HydrophobicContact CB-CD1 4.39Å; Q230-F262 HydrophobicContact CB-CE1 4.3Å |
| 231 | T | 91.2 | Very high | 89.3 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -69.5 | 152.8 | 175.6 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | E233 S234 M235 H261 V263 | T231-E233 VanDerWaalsContact C-N 3.26Å; T231-E233 PolarHBondContact O-N 2.99Å; T231-S234 PolarHBondContact O-N 3.23Å; T231-S234 WeakPolarHBondContact OG1-CB 3.48Å; T231-S234 PolarHBondContact OG1-N 2.91Å; T231-M235 WeakPolarHBondContact O-CG 3.31Å; T231-M235 PolarHBondContact O-N 2.79Å; T231-H261 PolarHBondContact N-O 3.19Å; T231-V263 HydrophobicContact CG2-CB 3.85Å; T231-V263 HydrophobicContact CG2-CG1 3.87Å | ||
| 232 | E | 90.3 | Very high | 89 | Confident | 122 Ų | 122 | 52.5 Ų | 52.5 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 179.3 | -56.5 | -61.6 | 142.9 | 0 | 0 | 111.7 | K38 M235 G236 | K38-E232 IonicContact NZ-OE1 3.59Å; K38-E232 PolarHBondContact NZ-OE1 3.17Å; E232-M235 HydrophobicContact CG-CE 4.37Å; E232-M235 PolarHBondContact O-N 3.45Å; E232-M235 WeakPolarHBondContact OE1-CE 3.4Å; E232-M235 WeakPolarHBondContact OE2-CE 3.43Å; E232-G236 PolarHBondContact O-N 2.92Å |
| 233 | E | 88.6 | Confident | 89 | Confident | 149 Ų | 149 | 51.5 Ų | 51.5 | 70% | 0.696 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62 | -50.7 | 174.4 | -175.4 | 172.3 | -155.9 | 0 | 0 | 111.3 | T231 M235 G236 E237 | T231-E233 VanDerWaalsContact C-N 3.26Å; T231-E233 PolarHBondContact O-N 2.99Å; E233-M235 VanDerWaalsContact C-N 3.3Å; E233-M235 PolarHBondContact O-N 3Å; E233-G236 WeakPolarHBondContact O-CA 3.33Å; E233-G236 PolarHBondContact O-N 3.3Å; E233-E237 PolarHBondContact O-N 2.82Å; E233-E237 VanDerWaalsContact O-N 3.09Å |
| 234 | S | 88.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 176 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | Q230 T231 G236 S238 P260 H261 | Q230-S234 VanDerWaalsContact CG-OG 3.24Å; Q230-S234 WeakPolarHBondContact CG-OG 3.43Å; Q230-S234 PolarHBondContact NE2-O 3.25Å; Q230-S234 VanDerWaalsContact NE2-O 3.17Å; Q230-S234 PolarHBondContact NE2-OG 3.4Å; T231-S234 PolarHBondContact O-N 3.23Å; T231-S234 WeakPolarHBondContact OG1-CB 3.48Å; T231-S234 PolarHBondContact OG1-N 2.91Å; S234-G236 VanDerWaalsContact C-N 3.35Å; S234-S238 CarbonylContact O-C 3.53Å; S234-S238 WeakPolarHBondContact O-CA 3.41Å; S234-S238 PolarHBondContact O-N 3.44Å; S234-P260 WeakPolarHBondContact OG-CA 3.39Å; S234-H261 PolarHBondContact OG-N 3.18Å |
| 235 | M | 90.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.7 | -31.1 | 173.9 | -75.2 | -172.1 | -65.1 | 0 | 0 | 112.8 | K38 Q230 T231 E232 E233 H239 | K38-M235 VanDerWaalsContact CA-SD 3.55Å; K38-M235 HydrophobicContact CB-CE 4.16Å; K38-M235 HydrophobicContact CB-SD 4.07Å; K38-M235 HydrophobicContact CG-CE 4.34Å; Q230-M235 HydrophobicContact CB-CG 3.85Å; Q230-M235 HydrophobicContact CB-SD 4.37Å; Q230-M235 VanDerWaalsContact CD-CG 3.42Å; Q230-M235 HydrophobicContact CG-CG 3.67Å; T231-M235 WeakPolarHBondContact O-CG 3.31Å; T231-M235 PolarHBondContact O-N 2.79Å; E232-M235 HydrophobicContact CG-CE 4.37Å; E232-M235 PolarHBondContact O-N 3.45Å; E232-M235 WeakPolarHBondContact OE1-CE 3.4Å; E232-M235 WeakPolarHBondContact OE2-CE 3.43Å; E233-M235 VanDerWaalsContact C-N 3.3Å; E233-M235 PolarHBondContact O-N 3Å; M235-H239 WeakPolarHBondContact O-CA 3.32Å; M235-H239 PolarHBondContact O-N 3.09Å |
| 236 | G | 87.8 | Confident | 89.1 | Confident | 71 Ų | 71 | 52 Ų | 52 | 73% | 0.732 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.4 | -37.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E232 E233 S234 | E232-G236 PolarHBondContact O-N 2.92Å; E233-G236 WeakPolarHBondContact O-CA 3.33Å; E233-G236 PolarHBondContact O-N 3.3Å; S234-G236 VanDerWaalsContact C-N 3.35Å |
| 237 | E | 87 | Confident | 89 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 60% | 0.598 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -82.2 | -46.9 | 176.4 | -64.9 | 179.9 | 174.5 | 0 | 0 | 112.3 | E233 | E233-E237 PolarHBondContact O-N 2.82Å; E233-E237 VanDerWaalsContact O-N 3.09Å |
| 238 | S | 85.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -132.5 | 74.9 | -168.9 | -70.6 | 0 | 0 | 0 | 0 | 111.3 | Q230 S234 T258 | Q230-S238 PolarHBondContact NE2-O 3.07Å; S234-S238 CarbonylContact O-C 3.53Å; S234-S238 WeakPolarHBondContact O-CA 3.41Å; S234-S238 PolarHBondContact O-N 3.44Å; S238-T258 WeakPolarHBondContact CB-O 3.35Å; S238-T258 PolarHBondContact OG-N 2.93Å; S238-T258 PolarHBondContact OG-O 3.48Å; S238-T258 VanDerWaalsContact OG-O 3.12Å; S238-T258 PolarHBondContact OG-OG1 3.04Å |
| 239 | H | 90.4 | Very high | 88.4 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | trans | -65.8 | 132.7 | -178.4 | -164.8 | -86.1 | 0 | 0 | 0 | 112.2 | D37 M235 Y241 N242 C243 | D37-H239 IonicContact OD2-CE1 3.51Å; D37-H239 IonicContact OD2-NE2 2.75Å; M235-H239 WeakPolarHBondContact O-CA 3.32Å; M235-H239 PolarHBondContact O-N 3.09Å; H239-Y241 VanDerWaalsContact C-N 3.3Å; H239-Y241 PolarHBondContact ND1-N 2.92Å; H239-Y241 PolarHBondContact O-N 3.47Å; H239-Y241 VanDerWaalsContact O-N 3.14Å; H239-N242 PolarHBondContact O-N 2.75Å; H239-N242 VanDerWaalsContact O-N 3.08Å; H239-C243 WeakPolarHBondContact O-CB 3.49Å; H239-C243 PolarHBondContact O-N 2.85Å | ||
| 240 | P | 90.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -52.4 | -41.7 | -175.2 | -28.4 | 31.7 | 0 | 0 | 0 | 115.2 | Y40 Y41 N242 C243 S244 | Y40-P240 HydrophobicContact CD1-CB 3.71Å; Y40-P240 HydrophobicContact CD2-CB 4.24Å; Y40-P240 HydrophobicContact CE1-CB 4.49Å; Y40-P240 HydrophobicContact CG-CB 3.6Å; Y40-P240 HydrophobicContact CG-CG 4.41Å; Y41-P240 HydrophobicContact CD2-CG 4.37Å; Y41-P240 HydrophobicContact CE2-CB 4.03Å; Y41-P240 HydrophobicContact CE2-CG 3.87Å; P240-N242 VanDerWaalsContact C-N 3.26Å; P240-N242 PolarHBondContact O-N 3.3Å; P240-C243 PolarHBondContact O-N 3.12Å; P240-S244 WeakPolarHBondContact O-CB 3.48Å; P240-S244 PolarHBondContact O-N 2.83Å; P240-S244 PolarHBondContact O-OG 3.43Å |
| 241 | Y | 87.9 | Confident | 87.8 | Confident | 187 Ų | 187 | 67.1 Ų | 67.1 | 73% | 0.733 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.4 | -34.4 | -177.7 | -172.2 | -102.8 | 0 | 0 | 0 | 113.2 | H239 | H239-Y241 VanDerWaalsContact C-N 3.3Å; H239-Y241 PolarHBondContact ND1-N 2.92Å; H239-Y241 PolarHBondContact O-N 3.47Å; H239-Y241 VanDerWaalsContact O-N 3.14Å |
| 242 | N | 87.7 | Confident | 87.4 | Confident | 107 Ų | 107 | 72 Ų | 72 | 57% | 0.572 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -93.9 | -34.9 | -177.8 | -63.4 | -12.1 | 0 | 0 | 0 | 111.6 | H239 P240 | H239-N242 PolarHBondContact O-N 2.75Å; H239-N242 VanDerWaalsContact O-N 3.08Å; P240-N242 VanDerWaalsContact C-N 3.26Å; P240-N242 PolarHBondContact O-N 3.3Å |
| 243 | C | 88.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -97.4 | -16.1 | -168.2 | -65 | 0 | 0 | 0 | 0 | 114.1 | H239 P240 W250 C257 | H239-C243 WeakPolarHBondContact O-CB 3.49Å; H239-C243 PolarHBondContact O-N 2.85Å; P240-C243 PolarHBondContact O-N 3.12Å; C243-W250 PolarHBondContact O-NE1 3.2Å; C243-C257 WeakPolarHBondContact CA-SG 3.5Å; C243-C257 HydrophobicContact CB-CB 3.48Å; C243-C257 VanDerWaalsContact CB-CB 3.48Å; C243-C257 WeakPolarHBondContact CB-SG 3.43Å; C243-C257 WeakPolarHBondContact SG-CB 3.4Å; C243-C257 CovalentContact SG-SG 2.03Å; C243-C257 PolarHBondContact SG-SG 3.38Å |
| 244 | S | 88.4 | Confident | 86 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 12% | 0.119 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -68.7 | -29.9 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | P240 F247 | P240-S244 WeakPolarHBondContact O-CB 3.48Å; P240-S244 PolarHBondContact O-N 2.83Å; P240-S244 PolarHBondContact O-OG 3.43Å; S244-F247 WeakPolarHBondContact O-CD1 3.4Å |
| 245 | S | 87.3 | Confident | 85.2 | Confident | 91 Ų | 91 | 84.9 Ų | 84.9 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -28.8 | 179.2 | 54 | 0 | 0 | 0 | 0 | 113.3 | ||
| 246 | S | 87.1 | Confident | 84.6 | Confident | 52 Ų | 52 | 85.1 Ų | 85.1 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 29.8 | -177.5 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | L248 E249 | S246-L248 PolarHBondContact O-N 3.24Å; S246-L248 VanDerWaalsContact O-N 3.17Å; S246-E249 PolarHBondContact O-N 3.4Å |
| 247 | F | 87 | Confident | 84.5 | Confident | 41 Ų | 41 | 83.3 Ų | 83.3 | 18% | 0.18 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -62.1 | -24.1 | -173.4 | 69.7 | -83.8 | 0 | 0 | 0 | 114.9 | G135 L137 V140 S244 E249 W250 | G135-F247 WeakPolarHBondContact O-CE2 3.44Å; L137-F247 HydrophobicContact CB-CD1 4.44Å; L137-F247 HydrophobicContact CB-CE1 4.42Å; L137-F247 HydrophobicContact CB-CG 4.48Å; L137-F247 HydrophobicContact CB-CZ 4.46Å; L137-F247 HydrophobicContact CD1-CB 3.7Å; L137-F247 HydrophobicContact CD1-CD1 4.32Å; L137-F247 HydrophobicContact CD1-CD2 4.13Å; L137-F247 HydrophobicContact CD1-CG 3.79Å; V140-F247 HydrophobicContact CB-CD2 4.36Å; V140-F247 HydrophobicContact CG2-CD2 4.09Å; V140-F247 HydrophobicContact CG2-CE2 3.96Å; S244-F247 WeakPolarHBondContact O-CD1 3.4Å; F247-E249 PolarHBondContact O-N 3.1Å; F247-W250 VanDerWaalsContact CA-CE2 3.5Å; F247-W250 HydrophobicContact CB-CD2 4.13Å; F247-W250 HydrophobicContact CB-CE3 4.33Å; F247-W250 HydrophobicContact CB-CH2 3.92Å; F247-W250 HydrophobicContact CB-CZ2 3.65Å; F247-W250 HydrophobicContact CB-CZ3 4.24Å |
| 248 | L | 84.9 | Confident | 84.5 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 59% | 0.592 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -73.6 | -14.4 | 173.9 | -65.5 | 175.3 | 0 | 0 | 0 | 112.8 | S246 K252 | S246-L248 PolarHBondContact O-N 3.24Å; S246-L248 VanDerWaalsContact O-N 3.17Å; L248-K252 WeakPolarHBondContact O-CE 3.29Å; L248-K252 PolarHBondContact O-NZ 3.43Å |
| 249 | E | 84.4 | Confident | 84.6 | Confident | 110 Ų | 110 | 83.9 Ų | 83.9 | 51% | 0.514 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -104.4 | 4 | -177.7 | -60.8 | -173.5 | 168 | 0 | 0 | 113.4 | S246 F247 D251 K252 S256 | S246-E249 PolarHBondContact O-N 3.4Å; F247-E249 PolarHBondContact O-N 3.1Å; E249-D251 PolarHBondContact O-N 3.06Å; E249-K252 WeakPolarHBondContact O-CB 3.37Å; E249-K252 PolarHBondContact O-N 2.93Å; E249-S256 WeakPolarHBondContact O-CB 3.31Å; E249-S256 PolarHBondContact O-OG 3.47Å |
| 250 | W | 87.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 80.8 Ų | 80.8 | 5% | 0.053 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.8 | 178.8 | -67.9 | -16.6 | 0 | 0 | 0 | 112.1 | Y41 L137 L141 C243 F247 K252 C257 R259 P260 | Y41-W250 AromaticContact CE1-CH2 3.91Å; Y41-W250 HydrophobicContact CE1-CH2 3.91Å; Y41-W250 AromaticContact CE1-CZ2 4Å; Y41-W250 HydrophobicContact CE1-CZ2 4Å; Y41-W250 AromaticContact CZ-CZ2 3.99Å; L137-W250 HydrophobicContact CD1-CH2 3.87Å; L137-W250 HydrophobicContact CD1-CZ2 4.46Å; L141-W250 HydrophobicContact CD2-CH2 4.15Å; L141-W250 HydrophobicContact CD2-CZ3 4.22Å; C243-W250 PolarHBondContact O-NE1 3.2Å; F247-W250 VanDerWaalsContact CA-CE2 3.5Å; F247-W250 HydrophobicContact CB-CD2 4.13Å; F247-W250 HydrophobicContact CB-CE3 4.33Å; F247-W250 HydrophobicContact CB-CH2 3.92Å; F247-W250 HydrophobicContact CB-CZ2 3.65Å; F247-W250 HydrophobicContact CB-CZ3 4.24Å; W250-K252 PolarHBondContact O-N 3.21Å; W250-K252 VanDerWaalsContact O-N 3.15Å; W250-C257 VanDerWaalsContact CA-O 3.25Å; W250-C257 WeakPolarHBondContact CA-O 3.48Å; W250-R259 HydrophobicContact CB-CG 3.96Å; W250-R259 HydrophobicContact CD2-CG 4.37Å; W250-R259 HydrophobicContact CE3-CG 3.85Å; W250-R259 HydrophobicContact CG-CG 4.5Å; W250-P260 HydrophobicContact CH2-CG 3.82Å; W250-P260 HydrophobicContact CZ2-CG 4.45Å; W250-P260 VanDerWaalsContact CZ3-CD 3.47Å; W250-P260 HydrophobicContact CZ3-CG 4.01Å |
| 251 | D | 83.1 | Confident | 84.4 | Confident | 83 Ų | 83 | 83.5 Ų | 83.5 | 44% | 0.444 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 14.3 | -179.4 | -39.2 | -47.2 | 0 | 0 | 0 | 115.7 | E249 C257 T258 R259 | E249-D251 PolarHBondContact O-N 3.06Å; D251-C257 PolarHBondContact N-O 3.44Å; D251-C257 VanDerWaalsContact N-O 3.17Å; D251-T258 VanDerWaalsContact OD1-CA 3.3Å; D251-T258 WeakPolarHBondContact OD1-CA 3.2Å; D251-R259 PolarHBondContact OD1-N 2.9Å; D251-R259 WeakPolarHBondContact OD2-CD 3.35Å; D251-R259 WeakPolarHBondContact OD2-CG 3.31Å; D251-R259 IonicContact OD2-CZ 2.76Å; D251-R259 IonicContact OD2-NE 2.74Å; D251-R259 PolarHBondContact OD2-NE 3.01Å; D251-R259 IonicContact OD2-NH2 3.21Å |
| 252 | K | 82.4 | Confident | 84.5 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -82.5 | -31.4 | -178.7 | -69 | -169.6 | -179.1 | 161.8 | 0 | 113.6 | L248 E249 W250 S256 | L248-K252 WeakPolarHBondContact O-CE 3.29Å; L248-K252 PolarHBondContact O-NZ 3.43Å; E249-K252 WeakPolarHBondContact O-CB 3.37Å; E249-K252 PolarHBondContact O-N 2.93Å; W250-K252 PolarHBondContact O-N 3.21Å; W250-K252 VanDerWaalsContact O-N 3.15Å; K252-S256 PolarHBondContact N-OG 2.92Å |
| 253 | H | 78.9 | Confident | 84.6 | Confident | 126 Ų | 126 | 73.2 Ų | 73.2 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -138.3 | 154.6 | -175.6 | -60.5 | 67.4 | 0 | 0 | 0 | 110.5 | W255 S256 | H253-W255 PolarHBondContact O-N 3.04Å; H253-W255 VanDerWaalsContact O-N 3.15Å; H253-S256 PolarHBondContact N-OG 2.8Å; H253-S256 WeakPolarHBondContact O-CB 3.48Å; H253-S256 PolarHBondContact O-N 3.25Å; H253-S256 PolarHBondContact O-OG 3.34Å |
| 254 | E | 71.3 | Confident | 84.5 | Confident | 184 Ų | 184 | 73.8 Ų | 73.8 | 86% | 0.86 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.7 | 177.8 | -78.9 | -177.6 | 157.3 | 0 | 0 | 113.8 | ||
| 255 | W | 71.6 | Confident | 84.2 | Confident | 233 Ų | 233 | 75.2 Ų | 75.2 | 88% | 0.883 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 2.4 | 176.9 | -49.8 | -68.5 | 0 | 0 | 0 | 114 | H253 | H253-W255 PolarHBondContact O-N 3.04Å; H253-W255 VanDerWaalsContact O-N 3.15Å |
| 256 | S | 77.8 | Confident | 84.1 | Confident | 26 Ų | 26 | 74.4 Ų | 74.4 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -84.3 | 153.1 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 110.8 | E249 K252 H253 T258 | E249-S256 WeakPolarHBondContact O-CB 3.31Å; E249-S256 PolarHBondContact O-OG 3.47Å; K252-S256 PolarHBondContact N-OG 2.92Å; H253-S256 PolarHBondContact N-OG 2.8Å; H253-S256 WeakPolarHBondContact O-CB 3.48Å; H253-S256 PolarHBondContact O-N 3.25Å; H253-S256 PolarHBondContact O-OG 3.34Å; S256-T258 PolarHBondContact O-N 3.31Å |
| 257 | C | 85.8 | Confident | 84.1 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 141.2 | 174.2 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | C243 W250 D251 | C243-C257 WeakPolarHBondContact CA-SG 3.5Å; C243-C257 HydrophobicContact CB-CB 3.48Å; C243-C257 VanDerWaalsContact CB-CB 3.48Å; C243-C257 WeakPolarHBondContact CB-SG 3.43Å; C243-C257 WeakPolarHBondContact SG-CB 3.4Å; C243-C257 CovalentContact SG-SG 2.03Å; C243-C257 PolarHBondContact SG-SG 3.38Å; W250-C257 VanDerWaalsContact CA-O 3.25Å; W250-C257 WeakPolarHBondContact CA-O 3.48Å; D251-C257 PolarHBondContact N-O 3.44Å; D251-C257 VanDerWaalsContact N-O 3.17Å |
| 258 | T | 86.5 | Confident | 84.2 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 30% | 0.301 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 155.2 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | S238 D251 S256 | S238-T258 WeakPolarHBondContact CB-O 3.35Å; S238-T258 PolarHBondContact OG-N 2.93Å; S238-T258 PolarHBondContact OG-O 3.48Å; S238-T258 VanDerWaalsContact OG-O 3.12Å; S238-T258 PolarHBondContact OG-OG1 3.04Å; D251-T258 VanDerWaalsContact OD1-CA 3.3Å; D251-T258 WeakPolarHBondContact OD1-CA 3.2Å; S256-T258 PolarHBondContact O-N 3.31Å |
| 259 | R | 86.4 | Confident | 84.5 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 139.7 | 172.6 | -82.9 | 174.5 | -154.6 | -174.9 | 2.6 | 111.7 | E148 W250 D251 H261 | E148-R259 IonicContact OE1-NH1 3.06Å; E148-R259 PolarHBondContact OE1-NH1 3.46Å; E148-R259 IonicContact OE2-NH1 3.61Å; W250-R259 HydrophobicContact CB-CG 3.96Å; W250-R259 HydrophobicContact CD2-CG 4.37Å; W250-R259 HydrophobicContact CE3-CG 3.85Å; W250-R259 HydrophobicContact CG-CG 4.5Å; D251-R259 PolarHBondContact OD1-N 2.9Å; D251-R259 WeakPolarHBondContact OD2-CD 3.35Å; D251-R259 WeakPolarHBondContact OD2-CG 3.31Å; D251-R259 IonicContact OD2-CZ 2.76Å; D251-R259 IonicContact OD2-NE 2.74Å; D251-R259 PolarHBondContact OD2-NE 3.01Å; D251-R259 IonicContact OD2-NH2 3.21Å; R259-H261 PolarHBondContact O-CD2 3.47Å; R259-H261 PolarHBondContact O-N 3.28Å |
| 260 | P | 88.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 125.9 | 179.5 | 28.1 | -33.7 | 0 | 0 | 0 | 111.5 | Y41 L141 Q230 S234 W250 F262 | Y41-P260 HydrophobicContact CD2-CB 3.93Å; Y41-P260 HydrophobicContact CD2-CG 4.03Å; Y41-P260 HydrophobicContact CE2-CB 3.71Å; Y41-P260 HydrophobicContact CE2-CG 3.88Å; L141-P260 HydrophobicContact CD2-CG 4.19Å; Q230-P260 HydrophobicContact CG-CB 4.15Å; S234-P260 WeakPolarHBondContact OG-CA 3.39Å; W250-P260 HydrophobicContact CH2-CG 3.82Å; W250-P260 HydrophobicContact CZ2-CG 4.45Å; W250-P260 VanDerWaalsContact CZ3-CD 3.47Å; W250-P260 HydrophobicContact CZ3-CG 4.01Å; P260-F262 HydrophobicContact CB-CE1 4.3Å; P260-F262 HydrophobicContact CB-CE2 4.11Å; P260-F262 HydrophobicContact CB-CZ 3.72Å; P260-F262 HydrophobicContact CG-CE2 3.86Å; P260-F262 HydrophobicContact CG-CZ 3.59Å; P260-F262 WeakPolarHBondContact O-CD2 3.43Å; P260-F262 WeakPolarHBondContact O-CE2 3.46Å |
| 261 | H | 88.8 | Confident | 85 | Confident | 58 Ų | 58 | 74.4 Ų | 74.4 | 27% | 0.269 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 140.2 | 168.3 | -62.9 | -93.2 | 0 | 0 | 0 | 112.1 | Q230 T231 S234 R259 | Q230-H261 WeakPolarHBondContact CA-O 3.35Å; T231-H261 PolarHBondContact N-O 3.19Å; S234-H261 PolarHBondContact OG-N 3.18Å; R259-H261 PolarHBondContact O-CD2 3.47Å; R259-H261 PolarHBondContact O-N 3.28Å |
| 262 | F | 90.2 | Very high | 85.5 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.8 | -174.7 | -60.5 | -75.4 | 0 | 0 | 0 | 112.4 | Y41 L141 L144 S153 L155 R228 G229 Q230 P260 | Y41-F262 HydrophobicContact CD2-CE1 4.07Å; Y41-F262 HydrophobicContact CD2-CZ 4.06Å; Y41-F262 HydrophobicContact CG-CE1 4.35Å; Y41-F262 HydrophobicContact CG-CZ 4.17Å; L141-F262 HydrophobicContact CD2-CE2 4.28Å; L141-F262 HydrophobicContact CD2-CZ 3.98Å; L144-F262 HydrophobicContact CD1-CD2 4.45Å; L144-F262 HydrophobicContact CD1-CE2 3.81Å; S153-F262 WeakPolarHBondContact O-CD2 3.48Å; L155-F262 HydrophobicContact CB-CD2 3.94Å; L155-F262 HydrophobicContact CB-CE2 3.97Å; L155-F262 HydrophobicContact CB-CG 4.31Å; L155-F262 HydrophobicContact CB-CZ 4.39Å; L155-F262 HydrophobicContact CD1-CD1 3.78Å; L155-F262 HydrophobicContact CD1-CD2 4.46Å; L155-F262 HydrophobicContact CD1-CE1 4.03Å; L155-F262 HydrophobicContact CD1-CG 4.02Å; L155-F262 HydrophobicContact CD1-CZ 4.47Å; L155-F262 HydrophobicContact CD2-CE1 4Å; L155-F262 HydrophobicContact CD2-CE2 4.23Å; L155-F262 HydrophobicContact CD2-CZ 3.82Å; L155-F262 HydrophobicContact CG-CE1 4.48Å; L155-F262 HydrophobicContact CG-CZ 4.46Å; R228-F262 HydrophobicContact CB-CB 4.12Å; R228-F262 PolarHBondContact NH2-O 3.46Å; R228-F262 VanDerWaalsContact NH2-O 3.12Å; G229-F262 WeakPolarHBondContact O-CA 3.21Å; Q230-F262 HydrophobicContact CB-CD1 4.39Å; Q230-F262 HydrophobicContact CB-CE1 4.3Å; P260-F262 HydrophobicContact CB-CE1 4.3Å; P260-F262 HydrophobicContact CB-CE2 4.11Å; P260-F262 HydrophobicContact CB-CZ 3.72Å; P260-F262 HydrophobicContact CG-CE2 3.86Å; P260-F262 HydrophobicContact CG-CZ 3.59Å; P260-F262 WeakPolarHBondContact O-CD2 3.43Å; P260-F262 WeakPolarHBondContact O-CE2 3.46Å |
| 263 | V | 89.9 | Confident | 86 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.8 | 173.7 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | R228 G229 T231 | R228-V263 VanDerWaalsContact CA-O 3.26Å; R228-V263 WeakPolarHBondContact CA-O 3.4Å; R228-V263 WeakPolarHBondContact CB-O 3.38Å; G229-V263 PolarHBondContact N-O 2.97Å; G229-V263 VanDerWaalsContact N-O 3.1Å; G229-V263 PolarHBondContact O-N 3Å; T231-V263 HydrophobicContact CG2-CB 3.85Å; T231-V263 HydrophobicContact CG2-CG1 3.87Å |
| 264 | G | 87.2 | Confident | 86.7 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 136.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G225 | G225-G264 WeakPolarHBondContact O-CA 3.36Å |
| 265 | H | 82.5 | Confident | 87.7 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 129.4 | 173.1 | -168.3 | -70.6 | 0 | 0 | 0 | 109.6 | Y33 V227 | Y33-H265 PolarHBondContact OH-CD2 3.36Å; Y33-H265 VanDerWaalsContact OH-CD2 3.31Å; V227-H265 WeakPolarHBondContact O-CB 3.25Å; V227-H265 PolarHBondContact O-N 3.03Å |
| 266 | P | 85.1 | Confident | 88.7 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 153.4 | 179.6 | 25.2 | -34 | 0 | 0 | 0 | 111.4 | E268 | P266-E268 PolarHBondContact O-N 2.95Š|
| 267 | P | 87.2 | Confident | 89.4 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 119.4 | 173.4 | 29.8 | -37.2 | 0 | 0 | 0 | 109.7 | L223 W270 | L223-P267 HydrophobicContact CD2-CB 4.28Å; L223-P267 HydrophobicContact CD2-CG 3.85Å; P267-W270 PolarHBondContact O-NE1 3.49Å |
| 268 | E | 88.6 | Confident | 89.8 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | trans | -105.1 | -22 | 179.1 | -68.3 | -63.8 | 128.1 | 0 | 0 | 112.8 | P266 W270 K271 | P266-E268 PolarHBondContact O-N 2.95Å; E268-W270 PolarHBondContact O-N 2.94Å; E268-W270 VanDerWaalsContact O-N 3.14Å; E268-K271 WeakPolarHBondContact O-CB 3.15Å; E268-K271 PolarHBondContact O-N 3.43Å; E268-K271 IonicContact OE1-NZ 3.91Å; E268-K271 PolarHBondContact OE1-NZ 3.04Å; E268-K271 VanDerWaalsContact OE2-CD 3.24Å; E268-K271 WeakPolarHBondContact OE2-CD 3.35Å; E268-K271 VanDerWaalsContact OE2-CE 3.24Å; E268-K271 WeakPolarHBondContact OE2-CE 3.28Å; E268-K271 IonicContact OE2-NZ 3.55Å; E268-K271 PolarHBondContact OE2-NZ 3.37Å | ||
| 269 | S | 91.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 11% | 0.105 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.4 | -34.2 | -172.3 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | N61 L218 K271 W272 I273 | N61-S269 PolarHBondContact ND2-OG 3.36Å; N61-S269 WeakPolarHBondContact OD1-CB 3.29Å; N61-S269 PolarHBondContact OD1-OG 2.95Å; L218-S269 WeakPolarHBondContact O-CB 3.49Å; S269-K271 PolarHBondContact O-N 2.74Å; S269-W272 PolarHBondContact O-N 2.79Å; S269-I273 WeakPolarHBondContact O-CG1 3.24Å; S269-I273 PolarHBondContact O-N 3.4Å |
| 270 | W | 89.7 | Confident | 90.3 | Very high | 123 Ų | 123 | 50.9 Ų | 50.9 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.6 | -33.3 | 176.5 | 70.3 | -92.6 | 0 | 0 | 0 | 112.8 | P267 E268 W272 I273 L274 | P267-W270 PolarHBondContact O-NE1 3.49Å; E268-W270 PolarHBondContact O-N 2.94Å; E268-W270 VanDerWaalsContact O-N 3.14Å; W270-W272 VanDerWaalsContact C-N 3.32Å; W270-W272 PolarHBondContact O-N 2.78Å; W270-I273 PolarHBondContact O-N 3.49Å; W270-L274 HydrophobicContact CZ3-CD2 4.27Å; W270-L274 VanDerWaalsContact O-CB 3.32Å; W270-L274 WeakPolarHBondContact O-CB 3.48Å; W270-L274 PolarHBondContact O-N 3.44Å |
| 271 | K | 92.6 | Very high | 90.5 | Very high | 101 Ų | 101 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -36.9 | 179.1 | -57.4 | -176 | -168.1 | 166.4 | 0 | 111.6 | E268 S269 | E268-K271 WeakPolarHBondContact O-CB 3.15Å; E268-K271 PolarHBondContact O-N 3.43Å; E268-K271 IonicContact OE1-NZ 3.91Å; E268-K271 PolarHBondContact OE1-NZ 3.04Å; E268-K271 VanDerWaalsContact OE2-CD 3.24Å; E268-K271 WeakPolarHBondContact OE2-CD 3.35Å; E268-K271 VanDerWaalsContact OE2-CE 3.24Å; E268-K271 WeakPolarHBondContact OE2-CE 3.28Å; E268-K271 IonicContact OE2-NZ 3.55Å; E268-K271 PolarHBondContact OE2-NZ 3.37Å; S269-K271 PolarHBondContact O-N 2.74Å |
| 272 | W | 93.7 | Very high | 90.7 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.4 | -34.5 | 179.9 | -66.1 | 88.1 | 0 | 0 | 0 | 112.7 | F58 N61 F62 M65 S269 W270 P276 | F58-W272 HydrophobicContact CD1-CZ2 4.45Å; F58-W272 AromaticContact CE1-CH2 3.77Å; F58-W272 HydrophobicContact CE1-CH2 3.77Å; F58-W272 AromaticContact CE1-CZ2 3.66Å; F58-W272 HydrophobicContact CE1-CZ2 3.66Å; F58-W272 HydrophobicContact CE2-CZ2 4.24Å; F58-W272 HydrophobicContact CZ-CH2 4.07Å; F58-W272 AromaticContact CZ-CZ2 3.57Å; F58-W272 HydrophobicContact CZ-CZ2 3.57Å; N61-W272 HydrophobicContact CB-CB 4.17Å; N61-W272 HydrophobicContact CB-CD2 3.88Å; N61-W272 HydrophobicContact CB-CG 3.65Å; F62-W272 HydrophobicContact CB-CZ3 4.18Å; F62-W272 HydrophobicContact CD2-CZ3 4.19Å; M65-W272 HydrophobicContact CB-CB 4.42Å; M65-W272 HydrophobicContact CB-CE3 4.28Å; M65-W272 WeakPolarHBondContact CB-O 3.03Å; M65-W272 HydrophobicContact CE-CE3 4.24Å; M65-W272 HydrophobicContact CE-CZ3 4.2Å; M65-W272 VanDerWaalsContact CG-O 3.28Å; M65-W272 WeakPolarHBondContact CG-O 3.31Å; M65-W272 HydrophobicContact SD-CE3 3.81Å; M65-W272 HydrophobicContact SD-CZ3 4.26Å; S269-W272 PolarHBondContact O-N 2.79Å; W270-W272 VanDerWaalsContact C-N 3.32Å; W270-W272 PolarHBondContact O-N 2.78Å; W272-P276 WeakPolarHBondContact O-CD 3.28Å; W272-P276 WeakPolarHBondContact O-CG 3.36Å |
| 273 | I | 93.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -92.7 | -17.9 | -175.8 | 65.6 | 178.6 | 0 | 0 | 0 | 113.5 | I215 L218 S269 W270 P276 I277 | I215-I273 HydrophobicContact CD1-CG2 4.44Å; I215-I273 HydrophobicContact CG2-CD1 4.07Å; L218-I273 HydrophobicContact CD2-CG2 3.98Å; S269-I273 WeakPolarHBondContact O-CG1 3.24Å; S269-I273 PolarHBondContact O-N 3.4Å; W270-I273 PolarHBondContact O-N 3.49Å; I273-P276 VanDerWaalsContact O-CD 3.28Å; I273-P276 WeakPolarHBondContact O-CD 3.39Å; I273-P276 VanDerWaalsContact O-CG 3.31Å; I273-P276 WeakPolarHBondContact O-CG 3.45Å; I273-I277 HydrophobicContact CB-CD1 3.77Å; I273-I277 HydrophobicContact CB-CG1 4.41Å; I273-I277 HydrophobicContact CD1-CD1 3.94Å; I273-I277 HydrophobicContact CG1-CD1 3.79Å; I273-I277 VanDerWaalsContact O-CB 3.28Å; I273-I277 WeakPolarHBondContact O-CB 3.35Å; I273-I277 VanDerWaalsContact O-CD1 3.3Å; I273-I277 WeakPolarHBondContact O-CD1 3.02Å; I273-I277 WeakPolarHBondContact O-CG1 3.47Å; I273-I277 PolarHBondContact O-N 3.05Å |
| 274 | L | 92.7 | Very high | 90.8 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.7 | -58.9 | -175.7 | 179.3 | 62.5 | 0 | 0 | 0 | 112.4 | W270 I277 T278 | W270-L274 HydrophobicContact CZ3-CD2 4.27Å; W270-L274 VanDerWaalsContact O-CB 3.32Å; W270-L274 WeakPolarHBondContact O-CB 3.48Å; W270-L274 PolarHBondContact O-N 3.44Å; L274-I277 PolarHBondContact O-N 2.78Å; L274-T278 PolarHBondContact O-N 2.95Å; L274-T278 PolarHBondContact O-OG1 2.95Å |
| 275 | A | 92.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.3 | -50.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I277 T278 L279 | A275-I277 VanDerWaalsContact C-N 3.35Å; A275-I277 PolarHBondContact O-N 3.35Å; A275-T278 PolarHBondContact O-N 3.35Å; A275-L279 WeakPolarHBondContact O-CB 3.28Å; A275-L279 PolarHBondContact O-N 3.3Å |
| 276 | P | 92.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -32 | 179.2 | 24.5 | -33.7 | 0 | 0 | 0 | 113.3 | M65 L68 W272 I273 Y280 | M65-P276 HydrophobicContact CG-CG 4.2Å; M65-P276 WeakPolarHBondContact O-CB 3.05Å; M65-P276 WeakPolarHBondContact O-CG 3.16Å; L68-P276 HydrophobicContact CB-CB 4.35Å; L68-P276 HydrophobicContact CD1-CB 4.46Å; W272-P276 WeakPolarHBondContact O-CD 3.28Å; W272-P276 WeakPolarHBondContact O-CG 3.36Å; I273-P276 VanDerWaalsContact O-CD 3.28Å; I273-P276 WeakPolarHBondContact O-CD 3.39Å; I273-P276 VanDerWaalsContact O-CG 3.31Å; I273-P276 WeakPolarHBondContact O-CG 3.45Å; P276-Y280 VanDerWaalsContact O-CB 3.3Å; P276-Y280 WeakPolarHBondContact O-CB 3.34Å; P276-Y280 PolarHBondContact O-N 2.92Å |
| 277 | I | 93.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 23% | 0.226 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -47.9 | 173.5 | -70.4 | 166.8 | 0 | 0 | 0 | 110.5 | L68 I215 I273 L274 A275 L279 Y280 I281 | L68-I277 HydrophobicContact CD1-CG1 4.19Å; I215-I277 HydrophobicContact CG2-CD1 3.38Å; I215-I277 HydrophobicContact CG2-CG1 4.15Å; I273-I277 HydrophobicContact CB-CD1 3.77Å; I273-I277 HydrophobicContact CB-CG1 4.41Å; I273-I277 HydrophobicContact CD1-CD1 3.94Å; I273-I277 HydrophobicContact CG1-CD1 3.79Å; I273-I277 VanDerWaalsContact O-CB 3.28Å; I273-I277 WeakPolarHBondContact O-CB 3.35Å; I273-I277 VanDerWaalsContact O-CD1 3.3Å; I273-I277 WeakPolarHBondContact O-CD1 3.02Å; I273-I277 WeakPolarHBondContact O-CG1 3.47Å; I273-I277 PolarHBondContact O-N 3.05Å; L274-I277 PolarHBondContact O-N 2.78Å; A275-I277 VanDerWaalsContact C-N 3.35Å; A275-I277 PolarHBondContact O-N 3.35Å; I277-L279 VanDerWaalsContact C-N 3.27Å; I277-L279 PolarHBondContact O-N 3.07Å; I277-Y280 PolarHBondContact O-N 3.45Å; I277-Y280 VanDerWaalsContact O-N 3.14Å; I277-I281 HydrophobicContact CG2-CD1 3.67Å; I277-I281 HydrophobicContact CG2-CG1 4.25Å; I277-I281 WeakPolarHBondContact O-CG1 3.3Å; I277-I281 PolarHBondContact O-N 3.46Å |
| 278 | T | 93.1 | Very high | 91.3 | Very high | 81 Ų | 81 | 69.1 Ų | 69.1 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 177.6 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | L274 A275 I281 F282 | L274-T278 PolarHBondContact O-N 2.95Å; L274-T278 PolarHBondContact O-OG1 2.95Å; A275-T278 PolarHBondContact O-N 3.35Å; T278-I281 PolarHBondContact O-N 2.9Å; T278-F282 WeakPolarHBondContact O-CB 3.1Å; T278-F282 PolarHBondContact O-N 3.45Å |
| 279 | L | 92.4 | Very high | 91.2 | Very high | 60 Ų | 60 | 75.2 Ų | 75.2 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.8 | -172.6 | 141 | 0 | 0 | 0 | 111.9 | C72 L75 A275 I277 F282 E283 | C72-L279 HydrophobicContact CB-CD2 3.82Å; C72-L279 WeakPolarHBondContact SG-CD2 3.31Å; L75-L279 HydrophobicContact CD2-CD1 3.85Å; L75-L279 HydrophobicContact CD2-CD2 3.82Å; L75-L279 HydrophobicContact CD2-CG 4.43Å; A275-L279 WeakPolarHBondContact O-CB 3.28Å; A275-L279 PolarHBondContact O-N 3.3Å; I277-L279 VanDerWaalsContact C-N 3.27Å; I277-L279 PolarHBondContact O-N 3.07Å; L279-F282 PolarHBondContact O-N 2.97Å; L279-E283 WeakPolarHBondContact O-CB 3.05Å; L279-E283 PolarHBondContact O-N 2.88Å |
| 280 | Y | 92.3 | Very high | 90.9 | Very high | 40 Ų | 40 | 77.5 Ų | 77.5 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 177.3 | 179.6 | -104.2 | 0 | 0 | 0 | 112.4 | F211 P276 I277 E283 R284 | F211-Y280 HydrophobicContact CE2-CE1 4.13Å; F211-Y280 AromaticContact CZ-CE1 3.76Å; F211-Y280 HydrophobicContact CZ-CE1 3.76Å; P276-Y280 VanDerWaalsContact O-CB 3.3Å; P276-Y280 WeakPolarHBondContact O-CB 3.34Å; P276-Y280 PolarHBondContact O-N 2.92Å; I277-Y280 PolarHBondContact O-N 3.45Å; I277-Y280 VanDerWaalsContact O-N 3.14Å; Y280-E283 WeakPolarHBondContact O-CB 3.33Å; Y280-E283 PolarHBondContact O-N 3.48Å; Y280-R284 HydrophobicContact CD1-CG 4.28Å; Y280-R284 HydrophobicContact CE1-CG 3.89Å; Y280-R284 HydrophobicContact CE2-CG 4.28Å; Y280-R284 WeakPolarHBondContact O-CG 3.46Å; Y280-R284 PolarHBondContact O-N 2.85Å; Y280-R284 PolarHBondContact OH-NE 3.41Å; Y280-R284 PolarHBondContact OH-NH2 3.14Å |
| 281 | I | 92.6 | Very high | 90.5 | Very high | 88 Ų | 88 | 72 Ų | 72 | 45% | 0.451 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.6 | -70.1 | 169.7 | 0 | 0 | 0 | 109.8 | I277 T278 E283 R284 M285 | I277-I281 HydrophobicContact CG2-CD1 3.67Å; I277-I281 HydrophobicContact CG2-CG1 4.25Å; I277-I281 WeakPolarHBondContact O-CG1 3.3Å; I277-I281 PolarHBondContact O-N 3.46Å; T278-I281 PolarHBondContact O-N 2.9Å; I281-E283 PolarHBondContact O-N 2.71Å; I281-R284 WeakPolarHBondContact O-CB 3.3Å; I281-R284 PolarHBondContact O-N 2.95Å; I281-R284 VanDerWaalsContact O-N 3.11Å; I281-M285 HydrophobicContact CG2-CG 4.31Å; I281-M285 HydrophobicContact CG2-SD 4.08Å; I281-M285 WeakPolarHBondContact O-CG 3.21Å; I281-M285 PolarHBondContact O-N 3.27Å |
| 282 | F | 92.9 | Very high | 90.1 | Very high | 127 Ų | 127 | 71.5 Ų | 71.5 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 176.3 | -178.8 | -105.6 | 0 | 0 | 0 | 112.1 | T278 L279 R284 M285 L286 | T278-F282 WeakPolarHBondContact O-CB 3.1Å; T278-F282 PolarHBondContact O-N 3.45Å; L279-F282 PolarHBondContact O-N 2.97Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 3.28Å; F282-M285 PolarHBondContact O-N 2.97Å; F282-L286 HydrophobicContact CD1-CD1 3.87Å; F282-L286 HydrophobicContact CD1-CG 4.37Å; F282-L286 HydrophobicContact CE1-CD1 3.37Å; F282-L286 HydrophobicContact CE1-CG 4.02Å; F282-L286 HydrophobicContact CE2-CD2 4.46Å; F282-L286 HydrophobicContact CE2-CG 4.37Å; F282-L286 HydrophobicContact CZ-CD1 3.76Å; F282-L286 HydrophobicContact CZ-CD2 4.11Å; F282-L286 HydrophobicContact CZ-CG 4.01Å; F282-L286 WeakPolarHBondContact O-CG 3.37Å; F282-L286 PolarHBondContact O-N 3.17Å |
| 283 | E | 90.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.028 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.5 | -42.5 | 172.5 | 167.7 | 89.8 | -166.1 | 0 | 0 | 111.7 | C72 R73 N74 L75 L279 Y280 I281 R287 | C72-E283 VanDerWaalsContact CA-CD 3.5Å; C72-E283 HydrophobicContact CB-CG 4.16Å; R73-E283 PolarHBondContact N-OE1 2.8Å; N74-E283 WeakPolarHBondContact CA-OE2 3.45Å; N74-E283 VanDerWaalsContact CB-OE2 3.22Å; N74-E283 WeakPolarHBondContact CB-OE2 3.49Å; N74-E283 VanDerWaalsContact N-CD 3.34Å; N74-E283 PolarHBondContact N-OE1 3.18Å; N74-E283 PolarHBondContact N-OE2 2.77Å; N74-E283 PolarHBondContact ND2-OE1 2.64Å; L75-E283 PolarHBondContact N-OE2 3.24Å; L75-E283 VanDerWaalsContact N-OE2 3.16Å; L279-E283 WeakPolarHBondContact O-CB 3.05Å; L279-E283 PolarHBondContact O-N 2.88Å; Y280-E283 WeakPolarHBondContact O-CB 3.33Å; Y280-E283 PolarHBondContact O-N 3.48Å; I281-E283 PolarHBondContact O-N 2.71Å; E283-R287 VanDerWaalsContact O-CG 3.31Å; E283-R287 WeakPolarHBondContact O-CG 3.37Å; E283-R287 PolarHBondContact O-N 2.73Å; E283-R287 IonicContact OE1-CZ 3.09Å; E283-R287 IonicContact OE1-NE 3.75Å; E283-R287 PolarHBondContact OE1-NE 3.48Å; E283-R287 VanDerWaalsContact OE1-NE 3.09Å; E283-R287 IonicContact OE1-NH2 3.21Å; E283-R287 PolarHBondContact OE1-NH2 2.85Å |
| 284 | R | 89.8 | Confident | 89.1 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 177.5 | -71.4 | -59.3 | -135 | 172.4 | 7.3 | 112.7 | Y280 I281 F282 L286 R287 F288 | Y280-R284 HydrophobicContact CD1-CG 4.28Å; Y280-R284 HydrophobicContact CE1-CG 3.89Å; Y280-R284 HydrophobicContact CE2-CG 4.28Å; Y280-R284 WeakPolarHBondContact O-CG 3.46Å; Y280-R284 PolarHBondContact O-N 2.85Å; Y280-R284 PolarHBondContact OH-NE 3.41Å; Y280-R284 PolarHBondContact OH-NH2 3.14Å; I281-R284 WeakPolarHBondContact O-CB 3.3Å; I281-R284 PolarHBondContact O-N 2.95Å; I281-R284 VanDerWaalsContact O-N 3.11Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 3.28Å; R284-L286 VanDerWaalsContact C-N 3.34Å; R284-L286 PolarHBondContact O-N 2.78Å; R284-R287 PolarHBondContact O-N 3.38Å; R284-F288 PolarHBondContact O-N 2.84Å |
| 285 | M | 90.8 | Very high | 88.9 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 176.3 | -69.3 | -178.6 | 95.2 | 0 | 0 | 111.3 | I281 F282 R287 F288 Y289 | I281-M285 HydrophobicContact CG2-CG 4.31Å; I281-M285 HydrophobicContact CG2-SD 4.08Å; I281-M285 WeakPolarHBondContact O-CG 3.21Å; I281-M285 PolarHBondContact O-N 3.27Å; F282-M285 PolarHBondContact O-N 2.97Å; M285-R287 PolarHBondContact O-N 2.89Å; M285-F288 PolarHBondContact O-N 2.93Å; M285-Y289 WeakPolarHBondContact O-CB 3.41Å; M285-Y289 PolarHBondContact O-N 2.96Å |
| 286 | L | 88.3 | Confident | 88.9 | Confident | 66 Ų | 66 | 77.9 Ų | 77.9 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.2 | -74.1 | 179.2 | 0 | 0 | 0 | 112.6 | F282 R284 Y289 R290 | F282-L286 HydrophobicContact CD1-CD1 3.87Å; F282-L286 HydrophobicContact CD1-CG 4.37Å; F282-L286 HydrophobicContact CE1-CD1 3.37Å; F282-L286 HydrophobicContact CE1-CG 4.02Å; F282-L286 HydrophobicContact CE2-CD2 4.46Å; F282-L286 HydrophobicContact CE2-CG 4.37Å; F282-L286 HydrophobicContact CZ-CD1 3.76Å; F282-L286 HydrophobicContact CZ-CD2 4.11Å; F282-L286 HydrophobicContact CZ-CG 4.01Å; F282-L286 WeakPolarHBondContact O-CG 3.37Å; F282-L286 PolarHBondContact O-N 3.17Å; R284-L286 VanDerWaalsContact C-N 3.34Å; R284-L286 PolarHBondContact O-N 2.78Å; L286-Y289 PolarHBondContact O-N 3.22Å; L286-R290 WeakPolarHBondContact O-CB 3.44Å; L286-R290 PolarHBondContact O-N 3.48Å |
| 287 | R | 87.3 | Confident | 88.8 | Confident | 26 Ų | 26 | 79.1 Ų | 79.1 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | 176.5 | -71.6 | 170.1 | -179.1 | -92.3 | 1.9 | 111.8 | R73 N74 E283 R284 M285 R290 S291 D382 | R73-R287 VanDerWaalsContact CB-NH2 3.25Å; N74-R287 WeakPolarHBondContact ND2-CG 3.24Å; E283-R287 VanDerWaalsContact O-CG 3.31Å; E283-R287 WeakPolarHBondContact O-CG 3.37Å; E283-R287 PolarHBondContact O-N 2.73Å; E283-R287 IonicContact OE1-CZ 3.09Å; E283-R287 IonicContact OE1-NE 3.75Å; E283-R287 PolarHBondContact OE1-NE 3.48Å; E283-R287 VanDerWaalsContact OE1-NE 3.09Å; E283-R287 IonicContact OE1-NH2 3.21Å; E283-R287 PolarHBondContact OE1-NH2 2.85Å; R284-R287 PolarHBondContact O-N 3.38Å; M285-R287 PolarHBondContact O-N 2.89Å; R287-R290 PolarHBondContact O-N 3.44Å; R287-S291 WeakPolarHBondContact O-CB 3.41Å; R287-S291 PolarHBondContact O-N 3.37Å; R287-D382 IonicContact NH1-OD2 2.61Å; R287-D382 PolarHBondContact NH1-OD2 3.25Å |
| 288 | F | 86.8 | Confident | 88.7 | Confident | 138 Ų | 138 | 80.8 Ų | 80.8 | 61% | 0.605 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 177.3 | -178.5 | -98.1 | 0 | 0 | 0 | 111.5 | R284 M285 R290 S291 Q292 | R284-F288 PolarHBondContact O-N 2.84Å; M285-F288 PolarHBondContact O-N 2.93Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-R290 PolarHBondContact O-N 3.36Å; F288-S291 PolarHBondContact O-N 2.93Å; F288-S291 PolarHBondContact O-OG 3.42Å; F288-Q292 HydrophobicContact CE1-CG 4.4Å; F288-Q292 WeakPolarHBondContact O-CG 3.38Å; F288-Q292 PolarHBondContact O-N 2.91Å |
| 289 | Y | 87.3 | Confident | 88.7 | Confident | 185 Ų | 185 | 82.3 Ų | 82.3 | 73% | 0.725 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 175.1 | 178.4 | -99.5 | 0 | 0 | 0 | 111.9 | M285 L286 Q292 | M285-Y289 WeakPolarHBondContact O-CB 3.41Å; M285-Y289 PolarHBondContact O-N 2.96Å; L286-Y289 PolarHBondContact O-N 3.22Å; Y289-Q292 PolarHBondContact O-N 3.37Å |
| 290 | R | 83.8 | Confident | 88.7 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 24% | 0.238 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 175.8 | -84.2 | 166.6 | 39.5 | 149.9 | -16.5 | 113.1 | L286 R287 F288 Q292 Q293 D382 G383 | L286-R290 WeakPolarHBondContact O-CB 3.44Å; L286-R290 PolarHBondContact O-N 3.48Å; R287-R290 PolarHBondContact O-N 3.44Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-R290 PolarHBondContact O-N 3.36Å; R290-Q292 PolarHBondContact O-N 3.48Å; R290-Q293 WeakPolarHBondContact O-CB 3.25Å; R290-Q293 WeakPolarHBondContact O-CG 3.4Å; R290-Q293 PolarHBondContact O-N 3.18Å; R290-Q293 VanDerWaalsContact O-N 3.12Å; R290-Q293 PolarHBondContact O-NE2 2.86Å; R290-Q293 VanDerWaalsContact O-NE2 3.16Å; R290-D382 IonicContact CZ-OD1 2.73Å; R290-D382 VanDerWaalsContact CZ-OD1 3.23Å; R290-D382 IonicContact NE-OD1 3.97Å; R290-D382 PolarHBondContact NE-OD1 3.09Å; R290-D382 IonicContact NH2-OD1 3.17Å; R290-D382 PolarHBondContact NH2-OD1 2.98Å; R290-G383 PolarHBondContact NH1-O 2.79Å; R290-G383 PolarHBondContact NH2-O 2.93Å |
| 291 | S | 82.4 | Confident | 88.6 | Confident | 6 Ų | 6 | 81.6 Ų | 81.6 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.9 | -25.2 | -178.8 | 71.3 | 0 | 0 | 0 | 0 | 113 | R287 F288 Q293 W337 | R287-S291 WeakPolarHBondContact O-CB 3.41Å; R287-S291 PolarHBondContact O-N 3.37Å; F288-S291 PolarHBondContact O-N 2.93Å; F288-S291 PolarHBondContact O-OG 3.42Å; S291-Q293 PolarHBondContact O-N 2.89Å; S291-W337 VanDerWaalsContact CB-CH2 3.43Å |
| 292 | Q | 83 | Confident | 88.4 | Confident | 91 Ų | 91 | 80.9 Ų | 80.9 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.6 | 175.5 | -62.1 | -53.5 | -47.1 | 0 | 0 | 114 | F288 Y289 R290 K294 | F288-Q292 HydrophobicContact CE1-CG 4.4Å; F288-Q292 WeakPolarHBondContact O-CG 3.38Å; F288-Q292 PolarHBondContact O-N 2.91Å; Y289-Q292 PolarHBondContact O-N 3.37Å; R290-Q292 PolarHBondContact O-N 3.48Å; Q292-K294 PolarHBondContact O-N 3.43Å |
| 293 | Q | 82.9 | Confident | 88 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -61.1 | 134.8 | 175.5 | 72.8 | -173.1 | -57.5 | 0 | 0 | 111.3 | R290 S291 V295 V381 | R290-Q293 WeakPolarHBondContact O-CB 3.25Å; R290-Q293 WeakPolarHBondContact O-CG 3.4Å; R290-Q293 PolarHBondContact O-N 3.18Å; R290-Q293 VanDerWaalsContact O-N 3.12Å; R290-Q293 PolarHBondContact O-NE2 2.86Å; R290-Q293 VanDerWaalsContact O-NE2 3.16Å; S291-Q293 PolarHBondContact O-N 2.89Å; Q293-V295 HydrophobicContact CG-CG2 4.09Å; Q293-V295 PolarHBondContact O-N 3.47Å; Q293-V381 PolarHBondContact NE2-O 2.96Å |
| 294 | K | 84.2 | Confident | 87.6 | Confident | 199 Ų | 199 | 79.6 Ų | 79.6 | 87% | 0.865 | 38% | 0.381 | S | S | * | . | trans | -76.6 | 106.9 | 176.8 | -69.2 | -173.4 | 179.5 | -178 | 0 | 109.7 | Q292 | Q292-K294 PolarHBondContact O-N 3.43Š| ||
| 295 | V | 88.7 | Confident | 87.1 | Confident | 27 Ų | 27 | 76 Ų | 76 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | trans | -90 | 126.2 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | Q293 M312 F351 V381 | Q293-V295 HydrophobicContact CG-CG2 4.09Å; Q293-V295 PolarHBondContact O-N 3.47Å; V295-M312 HydrophobicContact CG1-CB 3.84Å; V295-M312 HydrophobicContact CG1-CG 3.62Å; V295-M312 HydrophobicContact CG1-SD 3.66Å; V295-F351 HydrophobicContact CG1-CZ 4.26Å; V295-V381 HydrophobicContact CG1-CG2 4.33Å; V295-V381 HydrophobicContact CG2-CB 3.9Å; V295-V381 HydrophobicContact CG2-CG2 3.76Å | ||
| 296 | V | 90.7 | Very high | 86.8 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | trans | -106.8 | 117.3 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | M312 R313 | V296-M312 CarbonylContact O-C 3.58Å; V296-M312 WeakPolarHBondContact O-CA 3.16Å; V296-R313 HydrophobicContact CB-CB 4.31Å; V296-R313 PolarHBondContact O-N 3.48Å | ||
| 297 | I | 92 | Very high | 86.8 | Confident | 34 Ų | 34 | 73.3 Ų | 73.3 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 121.9 | 174.5 | -57 | 173.8 | 0 | 0 | 0 | 107.7 | V300 Q311 M312 F369 M376 I379 | I297-V300 HydrophobicContact CG2-CG2 3.62Å; I297-Q311 CarbonylContact C-O 3.55Å; I297-Q311 WeakPolarHBondContact CA-O 3.35Å; I297-M312 HydrophobicContact CG1-CG 4.42Å; I297-F369 HydrophobicContact CD1-CE1 3.77Å; I297-F369 HydrophobicContact CD1-CZ 3.73Å; I297-M376 HydrophobicContact CB-SD 4.1Å; I297-M376 HydrophobicContact CD1-CG 4.34Å; I297-M376 HydrophobicContact CD1-SD 3.84Å; I297-M376 HydrophobicContact CG2-SD 4.02Å; I297-I379 HydrophobicContact CD1-CG1 3.89Å |
| 298 | T | 91.4 | Very high | 87 | Confident | 78 Ų | 78 | 72 Ų | 72 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -35.9 | -179.8 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | Q311 R313 | T298-Q311 PolarHBondContact N-O 2.85Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.28Å; T298-Q311 PolarHBondContact OG1-O 2.81Å; T298-Q311 VanDerWaalsContact OG1-O 3.13Å; T298-R313 HydrophobicContact CG2-CB 3.99Å |
| 299 | K | 91.9 | Very high | 87.2 | Confident | 114 Ų | 114 | 66.5 Ų | 66.5 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 141.6 | -177.4 | -165.7 | -179.4 | -178.8 | -177.3 | 0 | 110.8 | V301 Q311 | K299-V301 HydrophobicContact CD-CG2 4.02Å; K299-V301 HydrophobicContact CG-CG2 4Å; K299-Q311 HydrophobicContact CB-CB 3.96Å; K299-Q311 HydrophobicContact CB-CG 4.12Å; K299-Q311 PolarHBondContact N-O 3.1Å; K299-Q311 PolarHBondContact O-N 3.31Å |
| 300 | V | 92.2 | Very high | 87.6 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.5 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | I297 L308 E309 L310 F369 M376 | I297-V300 HydrophobicContact CG2-CG2 3.62Å; V300-L308 HydrophobicContact CG1-CD1 3.61Å; V300-E309 WeakPolarHBondContact CA-O 3.39Å; V300-L310 HydrophobicContact CB-CD2 4.44Å; V300-L310 HydrophobicContact CG1-CD2 4.06Å; V300-L310 HydrophobicContact CG2-CD2 3.89Å; V300-F369 HydrophobicContact CG1-CB 4.23Å; V300-F369 HydrophobicContact CG1-CD1 4Å; V300-F369 HydrophobicContact CG1-CG 4.4Å; V300-F369 HydrophobicContact CG2-CD1 3.95Å; V300-F369 HydrophobicContact CG2-CE1 4.12Å; V300-M376 HydrophobicContact CG2-CE 4.17Å; V300-M376 HydrophobicContact CG2-SD 4.22Å |
| 301 | V | 90.1 | Very high | 88.1 | Confident | 39 Ų | 39 | 56 Ų | 56 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.9 | 177.8 | -173 | 0 | 0 | 0 | 0 | 109.2 | K299 E309 | K299-V301 HydrophobicContact CD-CG2 4.02Å; K299-V301 HydrophobicContact CG-CG2 4Å; V301-E309 HydrophobicContact CB-CB 4.15Å; V301-E309 PolarHBondContact N-O 3.03Å; V301-E309 PolarHBondContact O-N 3.29Å |
| 302 | I | 88.4 | Confident | 88.6 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.2 | 174 | -61.5 | 160.4 | 0 | 0 | 0 | 107.8 | L308 E370 | I302-L308 HydrophobicContact CG1-CD1 4.23Å; I302-E370 HydrophobicContact CD1-CB 4.28Å; I302-E370 HydrophobicContact CD1-CG 3.43Å; I302-E370 VanDerWaalsContact CD1-CG 3.43Å; I302-E370 HydrophobicContact CG1-CG 4.47Å |
| 303 | H | 86 | Confident | 89 | Confident | 34 Ų | 34 | 59 Ų | 59 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 160.6 | 179.5 | -66.8 | -76.8 | 0 | 0 | 0 | 111.4 | V307 E309 H354 W447 | H303-V307 HydrophobicContact CB-CB 4.14Å; H303-V307 PolarHBondContact N-O 3.06Å; H303-V307 PolarHBondContact O-N 3.48Å; H303-E309 IonicContact CD2-OE2 3.7Å; H303-E309 IonicContact CE1-OE2 3.87Å; H303-E309 IonicContact NE2-OE2 3.81Å; H303-E309 PolarHBondContact NE2-OE2 3.38Å; H303-H354 AromaticContact NE2-NE2 3.83Å; H303-W447 HydrophobicContact CB-CB 3.88Å; H303-W447 VanDerWaalsContact CG-CB 3.47Å; H303-W447 VanDerWaalsContact ND1-CB 3.35Å; H303-W447 WeakPolarHBondContact ND1-CB 3.47Å |
| 304 | P | 82.1 | Confident | 89.3 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 157.9 | 170.1 | -26.3 | 35.9 | 0 | 0 | 0 | 112.9 | K306 A446 | P304-K306 VanDerWaalsContact C-N 3.3Å; P304-K306 PolarHBondContact O-N 3.39Å; P304-A446 HydrophobicContact CB-CB 4.16Å; P304-A446 HydrophobicContact CG-CB 3.78Å |
| 305 | S | 78.6 | Confident | 89.2 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 30.1 | -174.5 | -68.7 | 0 | 0 | 0 | 0 | 114.8 | E441 | S305-E441 PolarHBondContact OG-OE2 2.6Š|
| 306 | K | 83.9 | Confident | 88.7 | Confident | 132 Ų | 132 | 62.5 Ų | 62.5 | 57% | 0.574 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 54.8 | 175.8 | -61.1 | -174.9 | 177.2 | -175.6 | 0 | 112.6 | P304 A357 | P304-K306 VanDerWaalsContact C-N 3.3Å; P304-K306 PolarHBondContact O-N 3.39Å; K306-A357 HydrophobicContact CB-CB 4.02Å; K306-A357 HydrophobicContact CD-CB 4.38Å; K306-A357 PolarHBondContact O-N 2.96Å |
| 307 | V | 88.3 | Confident | 88.3 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.1 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | H303 H354 I355 R356 I405 | H303-V307 HydrophobicContact CB-CB 4.14Å; H303-V307 PolarHBondContact N-O 3.06Å; H303-V307 PolarHBondContact O-N 3.48Å; V307-H354 HydrophobicContact CG1-CB 4.07Å; V307-I355 CarbonylContact C-O 3.54Å; V307-I355 WeakPolarHBondContact CA-O 3.37Å; V307-R356 HydrophobicContact CG2-CB 4.2Å; V307-R356 HydrophobicContact CG2-CG 4.2Å; V307-I405 HydrophobicContact CG1-CD1 4.39Å |
| 308 | L | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.2 | 175.1 | 172.1 | 70.2 | 0 | 0 | 0 | 109.7 | V300 I302 L310 H354 I355 L365 I366 F369 | V300-L308 HydrophobicContact CG1-CD1 3.61Å; I302-L308 HydrophobicContact CG1-CD1 4.23Å; L308-L310 HydrophobicContact CD1-CD2 3.99Å; L308-L310 HydrophobicContact CD2-CD1 4.18Å; L308-L310 HydrophobicContact CD2-CD2 4.06Å; L308-L310 HydrophobicContact CD2-CG 4.05Å; L308-L310 HydrophobicContact CG-CD2 4.02Å; L308-L310 HydrophobicContact CG-CG 4.02Å; L308-H354 CarbonylContact O-C 3.27Å; L308-H354 WeakPolarHBondContact O-CA 3.16Å; L308-I355 HydrophobicContact CB-CB 4.43Å; L308-I355 PolarHBondContact N-O 2.74Å; L308-I355 PolarHBondContact O-N 3.35Å; L308-L365 HydrophobicContact CD2-CD2 4.24Å; L308-L365 HydrophobicContact CD2-CG 4.24Å; L308-I366 HydrophobicContact CB-CG1 3.84Å; L308-I366 HydrophobicContact CD2-CG1 4.3Å; L308-F369 HydrophobicContact CD1-CB 4Å; L308-F369 HydrophobicContact CD1-CG 4.41Å; L308-F369 HydrophobicContact CD2-CB 4.26Å; L308-F369 HydrophobicContact CD2-CD2 3.82Å; L308-F369 HydrophobicContact CD2-CG 4.22Å |
| 309 | E | 92.6 | Very high | 87.8 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.6 | 167.8 | 177.6 | -174.3 | 176.9 | 0 | 0 | 109.4 | V300 V301 H303 Q311 I353 H354 | V300-E309 WeakPolarHBondContact CA-O 3.39Å; V301-E309 HydrophobicContact CB-CB 4.15Å; V301-E309 PolarHBondContact N-O 3.03Å; V301-E309 PolarHBondContact O-N 3.29Å; H303-E309 IonicContact CD2-OE2 3.7Å; H303-E309 IonicContact CE1-OE2 3.87Å; H303-E309 IonicContact NE2-OE2 3.81Å; H303-E309 PolarHBondContact NE2-OE2 3.38Å; E309-Q311 HydrophobicContact CG-CG 4.34Å; E309-Q311 PolarHBondContact OE1-NE2 3.28Å; E309-I353 WeakPolarHBondContact CA-O 3.4Å; E309-H354 IonicContact OE2-NE2 2.72Å |
| 310 | L | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.2 | 171.8 | -62.9 | 178.8 | 0 | 0 | 0 | 109 | V300 L308 M312 S352 I353 I355 F369 | V300-L310 HydrophobicContact CB-CD2 4.44Å; V300-L310 HydrophobicContact CG1-CD2 4.06Å; V300-L310 HydrophobicContact CG2-CD2 3.89Å; L308-L310 HydrophobicContact CD1-CD2 3.99Å; L308-L310 HydrophobicContact CD2-CD1 4.18Å; L308-L310 HydrophobicContact CD2-CD2 4.06Å; L308-L310 HydrophobicContact CD2-CG 4.05Å; L308-L310 HydrophobicContact CG-CD2 4.02Å; L308-L310 HydrophobicContact CG-CG 4.02Å; L310-M312 HydrophobicContact CB-CE 4.29Å; L310-S352 WeakPolarHBondContact O-CA 2.92Å; L310-S352 WeakPolarHBondContact O-CB 3.3Å; L310-I353 HydrophobicContact CB-CG1 4.04Å; L310-I353 HydrophobicContact CD1-CD1 4.42Å; L310-I353 PolarHBondContact N-O 2.85Å; L310-I353 PolarHBondContact O-N 3.31Å; L310-I353 VanDerWaalsContact O-N 3.08Å; L310-I355 HydrophobicContact CD1-CD1 4.17Å; L310-F369 HydrophobicContact CD1-CE2 4.29Å; L310-F369 HydrophobicContact CD1-CZ 4.43Å; L310-F369 HydrophobicContact CD2-CD1 4.18Å; L310-F369 HydrophobicContact CD2-CD2 4.46Å; L310-F369 HydrophobicContact CD2-CE1 4.02Å; L310-F369 HydrophobicContact CD2-CE2 4.33Å; L310-F369 HydrophobicContact CD2-CG 4.4Å; L310-F369 HydrophobicContact CD2-CZ 4.12Å |
| 311 | Q | 94.4 | Very high | 87.2 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.4 | 170.1 | -55.9 | -171.5 | -11.5 | 0 | 0 | 109.5 | I297 T298 K299 E309 F350 | I297-Q311 CarbonylContact C-O 3.55Å; I297-Q311 WeakPolarHBondContact CA-O 3.35Å; T298-Q311 PolarHBondContact N-O 2.85Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.28Å; T298-Q311 PolarHBondContact OG1-O 2.81Å; T298-Q311 VanDerWaalsContact OG1-O 3.13Å; K299-Q311 HydrophobicContact CB-CB 3.96Å; K299-Q311 HydrophobicContact CB-CG 4.12Å; K299-Q311 PolarHBondContact N-O 3.1Å; K299-Q311 PolarHBondContact O-N 3.31Å; E309-Q311 HydrophobicContact CG-CG 4.34Å; E309-Q311 PolarHBondContact OE1-NE2 3.28Å; Q311-F350 HydrophobicContact CB-CD2 3.99Å; Q311-F350 HydrophobicContact CB-CE2 4.5Å; Q311-F350 HydrophobicContact CG-CD2 4.04Å; Q311-F350 HydrophobicContact CG-CE2 4.05Å |
| 312 | M | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.9 | -173.7 | -67.1 | 159.5 | -77.7 | 0 | 0 | 110.2 | V295 V296 I297 L310 K314 F350 F351 I353 I379 V381 | V295-M312 HydrophobicContact CG1-CB 3.84Å; V295-M312 HydrophobicContact CG1-CG 3.62Å; V295-M312 HydrophobicContact CG1-SD 3.66Å; V296-M312 CarbonylContact O-C 3.58Å; V296-M312 WeakPolarHBondContact O-CA 3.16Å; I297-M312 HydrophobicContact CG1-CG 4.42Å; L310-M312 HydrophobicContact CB-CE 4.29Å; M312-K314 PolarHBondContact O-N 3.18Å; M312-F350 CarbonylContact O-C 3.6Å; M312-F350 VanDerWaalsContact O-CA 3.26Å; M312-F350 WeakPolarHBondContact O-CA 3.31Å; M312-F350 VanDerWaalsContact O-CB 3.31Å; M312-F350 WeakPolarHBondContact O-CB 3.25Å; M312-F351 HydrophobicContact CB-CD1 4.2Å; M312-F351 HydrophobicContact CB-CD2 4.16Å; M312-F351 HydrophobicContact CB-CE1 3.72Å; M312-F351 HydrophobicContact CB-CE2 3.68Å; M312-F351 HydrophobicContact CB-CG 4.4Å; M312-F351 HydrophobicContact CB-CZ 3.44Å; M312-F351 VanDerWaalsContact CB-CZ 3.44Å; M312-F351 HydrophobicContact CE-CD2 3.7Å; M312-F351 HydrophobicContact CE-CE2 3.41Å; M312-F351 VanDerWaalsContact CE-CE2 3.41Å; M312-F351 HydrophobicContact CE-CZ 4.33Å; M312-F351 HydrophobicContact CG-CE2 4.23Å; M312-F351 HydrophobicContact CG-CZ 4.26Å; M312-F351 PolarHBondContact N-O 3.4Å; M312-F351 WeakPolarHBondContact O-CD1 3.14Å; M312-F351 PolarHBondContact O-N 3.4Å; M312-F351 HydrophobicContact SD-CD2 4.37Å; M312-F351 HydrophobicContact SD-CE2 3.53Å; M312-F351 VanDerWaalsContact SD-CE2 3.53Å; M312-F351 HydrophobicContact SD-CZ 3.93Å; M312-I353 HydrophobicContact CE-CD1 4.02Å; M312-I353 HydrophobicContact CE-CG1 3.88Å; M312-I353 HydrophobicContact CE-CG2 4.42Å; M312-I379 HydrophobicContact SD-CG2 4.46Å; M312-V381 HydrophobicContact SD-CG2 4.22Å |
| 313 | R | 92.3 | Very high | 86.8 | Confident | 159 Ų | 159 | 51.4 Ų | 51.4 | 60% | 0.6 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.1 | -177.1 | -169.8 | 173.1 | -175 | 172.9 | 3.2 | 111.5 | V296 T298 R315 F351 | V296-R313 HydrophobicContact CB-CB 4.31Å; V296-R313 PolarHBondContact O-N 3.48Å; T298-R313 HydrophobicContact CG2-CB 3.99Å; R313-R315 PolarHBondContact O-N 2.84Å; R313-R315 VanDerWaalsContact O-N 3.13Å; R313-F351 WeakPolarHBondContact O-CE1 3.47Å |
| 314 | K | 87.6 | Confident | 86.9 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | trans | -84.9 | 76.7 | 178.5 | -168 | 178 | 177.9 | 175 | 0 | 111.3 | M312 F317 P346 E349 F351 | M312-K314 PolarHBondContact O-N 3.18Å; K314-F317 WeakPolarHBondContact CE-O 3.45Å; K314-F317 HydrophobicContact CG-CB 4.15Å; K314-F317 HydrophobicContact CG-CD1 4.26Å; K314-F317 WeakPolarHBondContact CG-O 3.36Å; K314-P346 PolarHBondContact NZ-O 3.01Å; K314-E349 WeakPolarHBondContact CB-O 3.43Å; K314-E349 PolarHBondContact N-O 3.42Å; K314-F351 HydrophobicContact CB-CD1 4.22Å | ||
| 315 | R | 82.1 | Confident | 87.4 | Confident | 219 Ų | 219 | 48 Ų | 48 | 83% | 0.826 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -102.4 | 105.5 | 175.8 | -169 | 178.9 | -177.1 | 176.5 | 1.1 | 110.6 | R313 F317 | R313-R315 PolarHBondContact O-N 2.84Å; R313-R315 VanDerWaalsContact O-N 3.13Å; R315-F317 PolarHBondContact O-N 3.43Å |
| 316 | G | 79.2 | Confident | 88 | Confident | 90 Ų | 90 | 47 Ų | 47 | 93% | 0.928 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 70.9 | 10.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 317 | F | 82.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | trans | -100.6 | 116.3 | 177.3 | -177.2 | -100.9 | 0 | 0 | 0 | 109.1 | K314 R315 M319 I325 L342 F351 P384 | K314-F317 WeakPolarHBondContact CE-O 3.45Å; K314-F317 HydrophobicContact CG-CB 4.15Å; K314-F317 HydrophobicContact CG-CD1 4.26Å; K314-F317 WeakPolarHBondContact CG-O 3.36Å; R315-F317 PolarHBondContact O-N 3.43Å; F317-M319 HydrophobicContact CD1-CB 4.36Å; F317-M319 HydrophobicContact CD1-CG 4.45Å; F317-M319 HydrophobicContact CE1-CB 3.75Å; F317-M319 HydrophobicContact CE1-CG 4.1Å; F317-M319 HydrophobicContact CE1-SD 4.16Å; F317-M319 HydrophobicContact CZ-CB 4.41Å; F317-I325 HydrophobicContact CE2-CG2 4.36Å; F317-I325 HydrophobicContact CZ-CG2 3.76Å; F317-L342 HydrophobicContact CE1-CD1 4.14Å; F317-L342 HydrophobicContact CZ-CD1 4.16Å; F317-F351 HydrophobicContact CD1-CB 4.36Å; F317-F351 AromaticContact CD1-CD1 3.75Å; F317-F351 HydrophobicContact CD1-CD1 3.75Å; F317-F351 HydrophobicContact CD1-CE1 4.17Å; F317-F351 HydrophobicContact CD1-CG 4.03Å; F317-F351 HydrophobicContact CE1-CB 4.15Å; F317-F351 HydrophobicContact CE1-CD1 4.11Å; F317-F351 HydrophobicContact CE1-CD2 4.27Å; F317-F351 AromaticContact CE1-CG 3.93Å; F317-F351 HydrophobicContact CE1-CG 3.93Å; F317-F351 HydrophobicContact CG-CD1 4.37Å; F317-F351 HydrophobicContact CG-CE1 4.37Å; F317-P384 HydrophobicContact CE2-CB 4.47Å; F317-P384 HydrophobicContact CE2-CG 4.4Å; F317-P384 HydrophobicContact CZ-CB 4Å; F317-P384 HydrophobicContact CZ-CG 4.21Å | ||
| 318 | S | 84.2 | Confident | 88.6 | Confident | 91 Ų | 91 | 40.5 Ų | 40.5 | 64% | 0.636 | 21% | 0.205 | S | C | * | . | trans | -103.1 | 137.5 | 171.9 | -170.1 | 0 | 0 | 0 | 0 | 109 | P384 | S318-P384 WeakPolarHBondContact O-CD 3.37Å; S318-P384 WeakPolarHBondContact O-CG 3.27Å | ||
| 319 | M | 87.2 | Confident | 88.6 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -140 | 150.5 | -179.2 | 56.7 | 172.7 | -81.9 | 0 | 0 | 110.5 | F317 L342 S344 P346 F351 P384 | F317-M319 HydrophobicContact CD1-CB 4.36Å; F317-M319 HydrophobicContact CD1-CG 4.45Å; F317-M319 HydrophobicContact CE1-CB 3.75Å; F317-M319 HydrophobicContact CE1-CG 4.1Å; F317-M319 HydrophobicContact CE1-SD 4.16Å; F317-M319 HydrophobicContact CZ-CB 4.41Å; M319-L342 HydrophobicContact CB-CD1 3.69Å; M319-L342 HydrophobicContact CE-CB 3.73Å; M319-L342 HydrophobicContact CE-CD1 3.84Å; M319-L342 HydrophobicContact CE-CG 4.33Å; M319-L342 HydrophobicContact CG-CD1 4.34Å; M319-L342 HydrophobicContact SD-CB 4.46Å; M319-L342 HydrophobicContact SD-CD1 3.82Å; M319-S344 WeakPolarHBondContact CE-O 3.39Å; M319-P346 VanDerWaalsContact O-CB 3.29Å; M319-P346 WeakPolarHBondContact O-CB 3.43Å; M319-P346 WeakPolarHBondContact O-CG 3.49Å; M319-F351 HydrophobicContact SD-CB 3.7Å; M319-P384 HydrophobicContact CB-CG 4.48Å | ||
| 320 | E | 85.9 | Confident | 88.5 | Confident | 104 Ų | 104 | 40.7 Ų | 40.7 | 49% | 0.486 | 21% | 0.208 | S | C | . | . | trans | -107.8 | 166.3 | 171 | -65.5 | -64.4 | 154.6 | 0 | 0 | 111 | Q323 E390 | E320-Q323 HydrophobicContact CB-CG 3.93Å; E320-Q323 WeakPolarHBondContact O-CB 3.24Å; E320-Q323 WeakPolarHBondContact O-CG 3.43Å; E320-Q323 PolarHBondContact O-N 3.17Å; E320-E390 HydrophobicContact CB-CG 4.47Å | ||
| 321 | V | 87.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 138.4 | -179 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | Q323 P346 F393 I413 | V321-Q323 PolarHBondContact O-N 3.03Å; V321-Q323 VanDerWaalsContact O-N 3.11Å; V321-P346 HydrophobicContact CG1-CG 3.86Å; V321-F393 HydrophobicContact CB-CE2 4.32Å; V321-F393 HydrophobicContact CG1-CE2 3.97Å; V321-F393 HydrophobicContact CG1-CZ 4.14Å; V321-F393 HydrophobicContact CG2-CD2 4.18Å; V321-F393 HydrophobicContact CG2-CE2 3.43Å; V321-F393 VanDerWaalsContact CG2-CE2 3.43Å; V321-F393 HydrophobicContact CG2-CZ 4Å; V321-I413 HydrophobicContact CB-CG1 4Å; V321-I413 HydrophobicContact CG2-CG1 4.18Å |
| 322 | G | 82.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 1.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | T387 | G322-T387 VanDerWaalsContact C-OG1 3.23Å; G322-T387 WeakPolarHBondContact O-CB 3.35Å; G322-T387 WeakPolarHBondContact O-CG2 3.23Å; G322-T387 PolarHBondContact O-OG1 3.13Å |
| 323 | Q | 87.2 | Confident | 87.5 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | trans | -64.4 | 162.1 | 172.4 | -69.5 | -167.4 | -35.2 | 0 | 0 | 111.7 | E320 V321 L342 P384 F385 E390 | E320-Q323 HydrophobicContact CB-CG 3.93Å; E320-Q323 WeakPolarHBondContact O-CB 3.24Å; E320-Q323 WeakPolarHBondContact O-CG 3.43Å; E320-Q323 PolarHBondContact O-N 3.17Å; V321-Q323 PolarHBondContact O-N 3.03Å; V321-Q323 VanDerWaalsContact O-N 3.11Å; Q323-L342 HydrophobicContact CB-CD1 4.19Å; Q323-L342 WeakPolarHBondContact O-CB 3.34Å; Q323-L342 PolarHBondContact O-N 2.85Å; Q323-P384 HydrophobicContact CB-CB 4.11Å; Q323-P384 VanDerWaalsContact OE1-CG 3.24Å; Q323-F385 WeakPolarHBondContact CA-O 3.47Å; Q323-F385 WeakPolarHBondContact CB-O 3.37Å; Q323-E390 HydrophobicContact CG-CG 4.38Å; Q323-E390 VanDerWaalsContact CG-OE1 3.29Å; Q323-E390 WeakPolarHBondContact CG-OE1 3.49Å; Q323-E390 PolarHBondContact NE2-OE1 2.92Å | ||
| 324 | Y | 88.2 | Confident | 87.2 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 161.7 | 177.8 | 72.4 | -75.7 | 0 | 0 | 0 | 111.5 | F326 P339 F340 F385 T387 F564 | Y324-F326 HydrophobicContact CD2-CE2 4.17Å; Y324-F326 HydrophobicContact CE2-CD2 4.17Å; Y324-F326 AromaticContact CE2-CE2 3.4Å; Y324-F326 HydrophobicContact CE2-CE2 3.4Å; Y324-F326 AromaticContact CE2-CZ 3.87Å; Y324-F326 HydrophobicContact CE2-CZ 3.87Å; Y324-P339 HydrophobicContact CD2-CB 3.8Å; Y324-P339 HydrophobicContact CE2-CB 4.03Å; Y324-F340 CarbonylContact C-O 3.52Å; Y324-F340 VanDerWaalsContact CA-O 3.3Å; Y324-F340 WeakPolarHBondContact CA-O 3.21Å; Y324-F340 VanDerWaalsContact CB-O 3.31Å; Y324-F340 WeakPolarHBondContact CB-O 3.4Å; Y324-F385 HydrophobicContact CD1-CB 3.98Å; Y324-F385 WeakPolarHBondContact CD1-O 3.37Å; Y324-F385 HydrophobicContact CE1-CB 3.49Å; Y324-F385 VanDerWaalsContact CE1-CB 3.49Å; Y324-F385 HydrophobicContact CE2-CB 4.17Å; Y324-F385 HydrophobicContact CE2-CD2 4.37Å; Y324-F385 HydrophobicContact CG-CB 4.49Å; Y324-F385 PolarHBondContact N-O 3.44Å; Y324-F385 PolarHBondContact O-N 3.06Å; Y324-T387 HydrophobicContact CD1-CG2 3.43Å; Y324-T387 VanDerWaalsContact CD1-CG2 3.43Å; Y324-T387 HydrophobicContact CE1-CG2 3.9Å; Y324-F564 HydrophobicContact CD1-CE1 4.36Å; Y324-F564 HydrophobicContact CG-CE1 4.35Å |
| 325 | I | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.5 | 177.4 | 60.5 | 171.4 | 0 | 0 | 0 | 109.6 | F317 V327 P339 F340 L342 F351 I353 V381 P384 | F317-I325 HydrophobicContact CE2-CG2 4.36Å; F317-I325 HydrophobicContact CZ-CG2 3.76Å; I325-V327 HydrophobicContact CD1-CG2 3.83Å; I325-V327 HydrophobicContact CG1-CG2 3.96Å; I325-P339 CarbonylContact O-C 3.58Å; I325-P339 VanDerWaalsContact O-CA 3.32Å; I325-P339 WeakPolarHBondContact O-CA 3.48Å; I325-F340 PolarHBondContact N-O 3.32Å; I325-F340 PolarHBondContact O-N 3.11Å; I325-L342 HydrophobicContact CD1-CD2 3.99Å; I325-L342 HydrophobicContact CG1-CD2 4.12Å; I325-L342 HydrophobicContact CG2-CD1 4.01Å; I325-L342 HydrophobicContact CG2-CD2 3.8Å; I325-L342 HydrophobicContact CG2-CG 4.01Å; I325-F351 HydrophobicContact CD1-CD2 4.29Å; I325-F351 HydrophobicContact CD1-CE2 3.98Å; I325-I353 HydrophobicContact CD1-CG2 3.77Å; I325-I353 HydrophobicContact CG1-CG2 4.02Å; I325-V381 HydrophobicContact CB-CG1 4.05Å; I325-V381 HydrophobicContact CD1-CG1 3.83Å; I325-V381 HydrophobicContact CD1-CG2 4.13Å; I325-V381 HydrophobicContact CG2-CG1 4.21Å; I325-P384 HydrophobicContact CG2-CB 4.47Å |
| 326 | F | 91.1 | Very high | 87 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 136.9 | 163.9 | -77.8 | -92.8 | 0 | 0 | 0 | 109.4 | Y324 W337 H338 P339 V381 D382 F385 | Y324-F326 HydrophobicContact CD2-CE2 4.17Å; Y324-F326 HydrophobicContact CE2-CD2 4.17Å; Y324-F326 AromaticContact CE2-CE2 3.4Å; Y324-F326 HydrophobicContact CE2-CE2 3.4Å; Y324-F326 AromaticContact CE2-CZ 3.87Å; Y324-F326 HydrophobicContact CE2-CZ 3.87Å; F326-W337 HydrophobicContact CB-CB 4.34Å; F326-W337 HydrophobicContact CB-CE3 3.91Å; F326-W337 HydrophobicContact CD1-CB 4Å; F326-H338 WeakPolarHBondContact CA-O 3.29Å; F326-P339 HydrophobicContact CD1-CB 4.18Å; F326-P339 HydrophobicContact CE1-CB 3.72Å; F326-P339 HydrophobicContact CE1-CG 3.99Å; F326-P339 HydrophobicContact CE2-CB 4.36Å; F326-P339 HydrophobicContact CZ-CB 3.77Å; F326-P339 HydrophobicContact CZ-CG 4.31Å; F326-V381 WeakPolarHBondContact O-CA 3.31Å; F326-D382 HydrophobicContact CB-CB 4.16Å; F326-D382 PolarHBondContact N-O 3.18Å; F326-D382 PolarHBondContact O-N 3.09Å; F326-F385 AromaticContact CD2-CD2 3.76Å; F326-F385 HydrophobicContact CD2-CD2 3.76Å; F326-F385 AromaticContact CD2-CE2 3.52Å; F326-F385 HydrophobicContact CD2-CE2 3.52Å; F326-F385 HydrophobicContact CD2-CZ 4.48Å; F326-F385 HydrophobicContact CE2-CD2 4.02Å; F326-F385 HydrophobicContact CE2-CE2 4.06Å |
| 327 | V | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.7 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | I325 H338 F340 I353 W361 I379 E380 | I325-V327 HydrophobicContact CD1-CG2 3.83Å; I325-V327 HydrophobicContact CG1-CG2 3.96Å; V327-H338 PolarHBondContact N-O 3.44Å; V327-H338 PolarHBondContact O-N 3.02Å; V327-F340 HydrophobicContact CB-CD2 3.88Å; V327-F340 HydrophobicContact CB-CE2 4.12Å; V327-F340 HydrophobicContact CG2-CD2 3.75Å; V327-F340 HydrophobicContact CG2-CE2 4.47Å; V327-I353 HydrophobicContact CG2-CD1 3.7Å; V327-W361 HydrophobicContact CG1-CH2 4.23Å; V327-I379 HydrophobicContact CG1-CD1 4.35Å; V327-I379 HydrophobicContact CG1-CG2 3.63Å; V327-E380 WeakPolarHBondContact CA-O 3.37Å |
| 328 | N | 92.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.5 | 169 | 174.7 | -85.6 | 0 | 0 | 0 | 109.6 | P330 S333 E336 W337 E380 | N328-P330 VanDerWaalsContact OD1-CD 3.25Å; N328-P330 WeakPolarHBondContact OD1-CD 3.47Å; N328-P330 WeakPolarHBondContact OD1-CG 3.26Å; N328-S333 PolarHBondContact ND2-O 3.23Å; N328-E336 PolarHBondContact ND2-O 3.09Å; N328-W337 HydrophobicContact CB-CD2 3.57Å; N328-W337 HydrophobicContact CB-CE3 3.6Å; N328-W337 HydrophobicContact CB-CG 4.23Å; N328-W337 HydrophobicContact CB-CH2 3.6Å; N328-W337 HydrophobicContact CB-CZ2 3.58Å; N328-W337 HydrophobicContact CB-CZ3 3.63Å; N328-E380 HydrophobicContact CB-CB 4.33Å; N328-E380 PolarHBondContact N-O 2.87Å; N328-E380 PolarHBondContact O-N 3.4Å |
| 329 | C | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 98.5 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | S331 I332 S333 W361 L365 I379 | C329-S331 PolarHBondContact O-N 3.02Å; C329-S331 VanDerWaalsContact O-N 3.1Å; C329-S331 PolarHBondContact SG-OG 3.02Å; C329-I332 HydrophobicContact CB-CD1 3.94Å; C329-I332 HydrophobicContact CB-CG1 4.28Å; C329-I332 PolarHBondContact O-N 3.21Å; C329-S333 PolarHBondContact O-N 2.61Å; C329-W361 HydrophobicContact CB-CZ2 3.93Å; C329-L365 HydrophobicContact CB-CD1 3.76Å; C329-I379 HydrophobicContact CB-CD1 3.87Å |
| 330 | P | 90 | Very high | 88 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 17% | 0.169 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.6 | -174.5 | -27.3 | 35.5 | 0 | 0 | 0 | 114.5 | N328 I332 F334 R378 E380 | N328-P330 VanDerWaalsContact OD1-CD 3.25Å; N328-P330 WeakPolarHBondContact OD1-CD 3.47Å; N328-P330 WeakPolarHBondContact OD1-CG 3.26Å; P330-I332 PolarHBondContact O-N 3.4Å; P330-F334 HydrophobicContact CB-CD1 3.97Å; P330-F334 HydrophobicContact CB-CE1 3.93Å; P330-R378 WeakPolarHBondContact CD-O 3.46Å; P330-E380 HydrophobicContact CG-CG 4.19Å |
| 331 | S | 88.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 35 Ų | 35 | 57% | 0.573 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -13.8 | 175.1 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | C329 | C329-S331 PolarHBondContact O-N 3.02Å; C329-S331 VanDerWaalsContact O-N 3.1Å; C329-S331 PolarHBondContact SG-OG 3.02Å |
| 332 | I | 87.4 | Confident | 88.5 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -53.7 | 177.5 | -56.9 | 171.2 | 0 | 0 | 0 | 109.4 | C329 P330 W361 N364 L365 | C329-I332 HydrophobicContact CB-CD1 3.94Å; C329-I332 HydrophobicContact CB-CG1 4.28Å; C329-I332 PolarHBondContact O-N 3.21Å; P330-I332 PolarHBondContact O-N 3.4Å; I332-W361 HydrophobicContact CG2-CG 4.32Å; I332-N364 HydrophobicContact CD1-CB 4.45Å; I332-N364 HydrophobicContact CG2-CB 4.08Å; I332-L365 HydrophobicContact CD1-CB 3.58Å; I332-L365 HydrophobicContact CD1-CD1 3.52Å; I332-L365 HydrophobicContact CD1-CG 4.18Å |
| 333 | S | 86.9 | Confident | 88.9 | Confident | 17 Ų | 17 | 35 Ų | 35 | 12% | 0.119 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 130.4 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 110 | N328 C329 E336 | N328-S333 PolarHBondContact ND2-O 3.23Å; C329-S333 PolarHBondContact O-N 2.61Å; S333-E336 VanDerWaalsContact CB-OE1 3.31Å; S333-E336 WeakPolarHBondContact CB-OE1 3.24Å; S333-E336 WeakPolarHBondContact OG-CB 3.39Å; S333-E336 VanDerWaalsContact OG-CD 3.3Å; S333-E336 WeakPolarHBondContact OG-CG 3.4Å; S333-E336 PolarHBondContact OG-N 3.11Å; S333-E336 PolarHBondContact OG-OE1 3.31Å |
| 334 | F | 84.8 | Confident | 89.1 | Confident | 163 Ų | 163 | 34 Ų | 34 | 72% | 0.715 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -23.7 | -179.7 | -70.6 | -80.7 | 0 | 0 | 0 | 113.5 | P330 | P330-F334 HydrophobicContact CB-CD1 3.97Å; P330-F334 HydrophobicContact CB-CE1 3.93Å |
| 335 | L | 81.3 | Confident | 89.3 | Confident | 101 Ų | 101 | 32.4 Ų | 32.4 | 53% | 0.529 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -17.6 | -169.7 | -63.3 | 179.4 | 0 | 0 | 0 | 113.4 | W205 | W205-L335 HydrophobicContact CH2-CB 4.17Å |
| 336 | E | 84.2 | Confident | 89.2 | Confident | 30 Ų | 30 | 33.6 Ų | 33.6 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.9 | -175.9 | -75.9 | 169.1 | -122.4 | 0 | 0 | 112.6 | N328 S333 H338 | N328-E336 PolarHBondContact ND2-O 3.09Å; S333-E336 VanDerWaalsContact CB-OE1 3.31Å; S333-E336 WeakPolarHBondContact CB-OE1 3.24Å; S333-E336 WeakPolarHBondContact OG-CB 3.39Å; S333-E336 VanDerWaalsContact OG-CD 3.3Å; S333-E336 WeakPolarHBondContact OG-CG 3.4Å; S333-E336 PolarHBondContact OG-N 3.11Å; S333-E336 PolarHBondContact OG-OE1 3.31Å; E336-H338 IonicContact OE2-CE1 3.95Å; E336-H338 IonicContact OE2-NE2 3.59Å; E336-H338 PolarHBondContact OE2-NE2 3.35Å |
| 337 | W | 87.7 | Confident | 89.1 | Confident | 77 Ų | 77 | 34.9 Ų | 34.9 | 29% | 0.292 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.7 | 175.7 | -70.9 | 81.6 | 0 | 0 | 0 | 109.3 | S291 F326 N328 E380 D382 | S291-W337 VanDerWaalsContact CB-CH2 3.43Å; F326-W337 HydrophobicContact CB-CB 4.34Å; F326-W337 HydrophobicContact CB-CE3 3.91Å; F326-W337 HydrophobicContact CD1-CB 4Å; N328-W337 HydrophobicContact CB-CD2 3.57Å; N328-W337 HydrophobicContact CB-CE3 3.6Å; N328-W337 HydrophobicContact CB-CG 4.23Å; N328-W337 HydrophobicContact CB-CH2 3.6Å; N328-W337 HydrophobicContact CB-CZ2 3.58Å; N328-W337 HydrophobicContact CB-CZ3 3.63Å; W337-E380 HydrophobicContact CH2-CB 3.63Å; W337-E380 HydrophobicContact CZ2-CB 4.48Å; W337-E380 HydrophobicContact CZ3-CB 4.23Å; W337-D382 HydrophobicContact CE3-CB 4.21Å; W337-D382 HydrophobicContact CZ3-CB 3.95Å |
| 338 | H | 87.7 | Confident | 89 | Confident | 35 Ų | 35 | 36 Ų | 36 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.4 | -175.5 | -68.5 | -87.8 | 0 | 0 | 0 | 111.3 | F326 V327 E336 F340 W361 | F326-H338 WeakPolarHBondContact CA-O 3.29Å; V327-H338 PolarHBondContact N-O 3.44Å; V327-H338 PolarHBondContact O-N 3.02Å; E336-H338 IonicContact OE2-CE1 3.95Å; E336-H338 IonicContact OE2-NE2 3.59Å; E336-H338 PolarHBondContact OE2-NE2 3.35Å; H338-F340 HydrophobicContact CB-CE2 3.62Å; H338-F340 HydrophobicContact CB-CZ 3.91Å; H338-F340 WeakPolarHBondContact O-CD2 3.46Å; H338-W361 HydrophobicContact CB-CE3 4.14Å; H338-W361 HydrophobicContact CB-CH2 4.26Å; H338-W361 HydrophobicContact CB-CZ3 3.95Å; H338-W361 AromaticContact CD2-CD1 3.82Å; H338-W361 AromaticContact CD2-CD2 3.17Å; H338-W361 AromaticContact CD2-CE2 3.39Å; H338-W361 AromaticContact CD2-CE3 3.48Å; H338-W361 VanDerWaalsContact CD2-CE3 3.48Å; H338-W361 AromaticContact CD2-CG 3.5Å; H338-W361 VanDerWaalsContact CD2-CG 3.5Å; H338-W361 AromaticContact CD2-CZ2 3.9Å; H338-W361 AromaticContact CD2-CZ3 3.98Å; H338-W361 AromaticContact CD2-NE1 3.76Å; H338-W361 AromaticContact CG-CD2 3.92Å; H338-W361 AromaticContact CG-CE3 3.74Å; H338-W361 WeakPolarHBondContact NE2-CB 3.32Å; H338-W361 AromaticContact NE2-CD1 3.52Å; H338-W361 AromaticContact NE2-CD2 3.42Å; H338-W361 AromaticContact NE2-CE2 3.92Å; H338-W361 AromaticContact NE2-CE3 3.96Å; H338-W361 AromaticContact NE2-CG 3.17Å; H338-W361 AromaticContact NE2-NE1 3.93Å |
| 339 | P | 89.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.7 | -178.8 | 30.4 | -31.6 | 0 | 0 | 0 | 112.3 | Y324 I325 F326 | Y324-P339 HydrophobicContact CD2-CB 3.8Å; Y324-P339 HydrophobicContact CE2-CB 4.03Å; I325-P339 CarbonylContact O-C 3.58Å; I325-P339 VanDerWaalsContact O-CA 3.32Å; I325-P339 WeakPolarHBondContact O-CA 3.48Å; F326-P339 HydrophobicContact CD1-CB 4.18Å; F326-P339 HydrophobicContact CE1-CB 3.72Å; F326-P339 HydrophobicContact CE1-CG 3.99Å; F326-P339 HydrophobicContact CE2-CB 4.36Å; F326-P339 HydrophobicContact CZ-CB 3.77Å; F326-P339 HydrophobicContact CZ-CG 4.31Å |
| 340 | F | 91.3 | Very high | 89 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 11% | 0.114 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.5 | 173.8 | -62.4 | -72.6 | 0 | 0 | 0 | 111.6 | Y324 I325 V327 H338 I353 I355 W361 T362 | Y324-F340 CarbonylContact C-O 3.52Å; Y324-F340 VanDerWaalsContact CA-O 3.3Å; Y324-F340 WeakPolarHBondContact CA-O 3.21Å; Y324-F340 VanDerWaalsContact CB-O 3.31Å; Y324-F340 WeakPolarHBondContact CB-O 3.4Å; I325-F340 PolarHBondContact N-O 3.32Å; I325-F340 PolarHBondContact O-N 3.11Å; V327-F340 HydrophobicContact CB-CD2 3.88Å; V327-F340 HydrophobicContact CB-CE2 4.12Å; V327-F340 HydrophobicContact CG2-CD2 3.75Å; V327-F340 HydrophobicContact CG2-CE2 4.47Å; H338-F340 HydrophobicContact CB-CE2 3.62Å; H338-F340 HydrophobicContact CB-CZ 3.91Å; H338-F340 WeakPolarHBondContact O-CD2 3.46Å; F340-I353 HydrophobicContact CB-CB 4.08Å; F340-I353 HydrophobicContact CB-CD1 4.28Å; F340-I353 HydrophobicContact CB-CG2 4Å; F340-I353 HydrophobicContact CD2-CD1 4.31Å; F340-I353 HydrophobicContact CG-CD1 4.42Å; F340-I355 HydrophobicContact CD1-CB 4.48Å; F340-I355 HydrophobicContact CD1-CG1 3.81Å; F340-I355 HydrophobicContact CD2-CD1 4.3Å; F340-I355 HydrophobicContact CD2-CG1 4.38Å; F340-I355 HydrophobicContact CE1-CB 4.12Å; F340-I355 HydrophobicContact CE1-CD1 4.37Å; F340-I355 HydrophobicContact CE1-CG1 3.79Å; F340-I355 HydrophobicContact CE1-CG2 3.69Å; F340-I355 HydrophobicContact CE2-CD1 4.08Å; F340-I355 HydrophobicContact CE2-CG1 4.33Å; F340-I355 HydrophobicContact CG-CG1 4.13Å; F340-I355 HydrophobicContact CZ-CD1 4.13Å; F340-I355 HydrophobicContact CZ-CG1 4.05Å; F340-I355 HydrophobicContact CZ-CG2 3.84Å; F340-W361 HydrophobicContact CE2-CH2 4.03Å; F340-W361 AromaticContact CE2-CZ3 3.67Å; F340-W361 HydrophobicContact CE2-CZ3 3.67Å; F340-W361 HydrophobicContact CZ-CE3 4.49Å; F340-W361 AromaticContact CZ-CZ3 3.7Å; F340-W361 HydrophobicContact CZ-CZ3 3.7Å; F340-T362 HydrophobicContact CZ-CG2 4.19Å |
| 341 | T | 90.9 | Very high | 89.2 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.1 | 175.2 | -44.9 | 0 | 0 | 0 | 0 | 110.8 | T343 P409 F564 | T341-T343 PolarHBondContact O-N 3.34Å; T341-P409 HydrophobicContact CG2-CB 3.78Å; T341-P409 HydrophobicContact CG2-CG 4.44Å; T341-F564 HydrophobicContact CG2-CZ 4.3Å; T341-F564 VanDerWaalsContact OG1-CE1 3.32Å; T341-F564 WeakPolarHBondContact OG1-CE1 3.47Å; T341-F564 VanDerWaalsContact OG1-CZ 3.25Å; T341-F564 WeakPolarHBondContact OG1-CZ 3.43Å |
| 342 | L | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -70.4 | 120.9 | 172.2 | -64.5 | 169.9 | 0 | 0 | 0 | 108.9 | F317 M319 Q323 I325 F351 S352 I353 P384 S412 | F317-L342 HydrophobicContact CE1-CD1 4.14Å; F317-L342 HydrophobicContact CZ-CD1 4.16Å; M319-L342 HydrophobicContact CB-CD1 3.69Å; M319-L342 HydrophobicContact CE-CB 3.73Å; M319-L342 HydrophobicContact CE-CD1 3.84Å; M319-L342 HydrophobicContact CE-CG 4.33Å; M319-L342 HydrophobicContact CG-CD1 4.34Å; M319-L342 HydrophobicContact SD-CB 4.46Å; M319-L342 HydrophobicContact SD-CD1 3.82Å; Q323-L342 HydrophobicContact CB-CD1 4.19Å; Q323-L342 WeakPolarHBondContact O-CB 3.34Å; Q323-L342 PolarHBondContact O-N 2.85Å; I325-L342 HydrophobicContact CD1-CD2 3.99Å; I325-L342 HydrophobicContact CG1-CD2 4.12Å; I325-L342 HydrophobicContact CG2-CD1 4.01Å; I325-L342 HydrophobicContact CG2-CD2 3.8Å; I325-L342 HydrophobicContact CG2-CG 4.01Å; L342-F351 HydrophobicContact CD2-CB 4.2Å; L342-F351 HydrophobicContact CD2-CD2 3.86Å; L342-F351 HydrophobicContact CD2-CG 4.45Å; L342-S352 WeakPolarHBondContact CA-O 3.48Å; L342-I353 HydrophobicContact CD2-CG2 4.11Å; L342-P384 HydrophobicContact CD1-CB 4.24Å; L342-S412 WeakPolarHBondContact O-CB 3.46Å |
| 343 | T | 91.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | trans | -93.9 | -18.9 | -179.8 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | T341 S352 H354 T408 A411 S412 W447 | T341-T343 PolarHBondContact O-N 3.34Å; T343-S352 PolarHBondContact N-O 2.96Å; T343-S352 VanDerWaalsContact OG1-C 3.3Å; T343-S352 PolarHBondContact OG1-O 2.83Å; T343-S352 VanDerWaalsContact OG1-O 3.04Å; T343-S352 PolarHBondContact OG1-OG 2.65Å; T343-H354 WeakPolarHBondContact CB-ND1 3.5Å; T343-H354 HydrophobicContact CG2-CB 4.13Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.31Å; T343-H354 PolarHBondContact OG1-CE1 3.23Å; T343-H354 PolarHBondContact OG1-ND1 3.47Å; T343-T408 HydrophobicContact CG2-CG2 3.69Å; T343-A411 HydrophobicContact CG2-CB 4.47Å; T343-S412 PolarHBondContact O-N 2.88Å; T343-W447 HydrophobicContact CG2-CH2 4.4Å | ||
| 344 | S | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -72.9 | 158 | 173.8 | 52 | 0 | 0 | 0 | 0 | 112.1 | M319 E348 F351 S352 S412 | M319-S344 WeakPolarHBondContact CE-O 3.39Å; S344-E348 WeakPolarHBondContact CA-OE2 3.37Å; S344-E348 WeakPolarHBondContact CB-OE2 3.29Å; S344-F351 WeakPolarHBondContact OG-CA 3.36Å; S344-S352 PolarHBondContact N-OG 3.31Å; S344-S352 PolarHBondContact OG-N 2.91Å; S344-S412 WeakPolarHBondContact O-CB 3.32Å; S344-S412 PolarHBondContact O-OG 3.13Å |
| 345 | A | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -84 | 151.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E347 E348 K415 Y419 | A345-E347 VanDerWaalsContact CB-OE2 3.31Å; A345-E347 WeakPolarHBondContact CB-OE2 3.36Å; A345-E347 PolarHBondContact O-N 3.31Å; A345-E347 VanDerWaalsContact O-N 3.14Å; A345-E348 HydrophobicContact CB-CG 4.22Å; A345-E348 PolarHBondContact N-OE2 3.47Å; A345-E348 PolarHBondContact O-N 3.33Å; A345-E348 VanDerWaalsContact O-N 3.14Å; A345-K415 HydrophobicContact CB-CB 3.7Å; A345-Y419 HydrophobicContact CB-CD2 3.92Å; A345-Y419 HydrophobicContact CB-CE2 3.88Å | ||
| 346 | P | 89.8 | Confident | 90.6 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 17% | 0.169 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -27.2 | 170.2 | -29.7 | 38.5 | 0 | 0 | 0 | 114.4 | K314 M319 V321 E348 | K314-P346 PolarHBondContact NZ-O 3.01Å; M319-P346 VanDerWaalsContact O-CB 3.29Å; M319-P346 WeakPolarHBondContact O-CB 3.43Å; M319-P346 WeakPolarHBondContact O-CG 3.49Å; V321-P346 HydrophobicContact CG1-CG 3.86Å; P346-E348 VanDerWaalsContact C-N 3.35Å |
| 347 | E | 89.5 | Confident | 90.7 | Very high | 43 Ų | 43 | 30.6 Ų | 30.6 | 20% | 0.201 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -13.6 | -178.1 | -58.7 | 84.3 | 173.7 | 0 | 0 | 113.6 | A345 S416 Y419 | A345-E347 VanDerWaalsContact CB-OE2 3.31Å; A345-E347 WeakPolarHBondContact CB-OE2 3.36Å; A345-E347 PolarHBondContact O-N 3.31Å; A345-E347 VanDerWaalsContact O-N 3.14Å; E347-S416 PolarHBondContact OE1-OG 2.95Å; E347-S416 WeakPolarHBondContact OE2-CA 3.29Å; E347-S416 WeakPolarHBondContact OE2-CB 3.45Å; E347-S416 PolarHBondContact OE2-OG 3.39Å; E347-Y419 HydrophobicContact CB-CD1 4.12Å; E347-Y419 HydrophobicContact CB-CD2 3.64Å; E347-Y419 HydrophobicContact CB-CE1 4.49Å; E347-Y419 HydrophobicContact CB-CE2 4.09Å; E347-Y419 HydrophobicContact CB-CG 3.66Å; E347-Y419 HydrophobicContact CG-CD2 4.2Å; E347-Y419 HydrophobicContact CG-CG 4.03Å |
| 348 | E | 90.3 | Very high | 90.4 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -78.1 | 149.1 | 177.4 | -67.7 | 174.7 | 150.8 | 0 | 0 | 111.9 | S344 A345 P346 F350 K415 Y419 | S344-E348 WeakPolarHBondContact CA-OE2 3.37Å; S344-E348 WeakPolarHBondContact CB-OE2 3.29Å; A345-E348 HydrophobicContact CB-CG 4.22Å; A345-E348 PolarHBondContact N-OE2 3.47Å; A345-E348 PolarHBondContact O-N 3.33Å; A345-E348 VanDerWaalsContact O-N 3.14Å; P346-E348 VanDerWaalsContact C-N 3.35Å; E348-F350 HydrophobicContact CB-CD1 4.41Å; E348-F350 HydrophobicContact CB-CE1 4.26Å; E348-F350 HydrophobicContact CG-CE1 4.49Å; E348-F350 PolarHBondContact O-N 3.34Å; E348-K415 IonicContact OE1-NZ 3.13Å; E348-K415 PolarHBondContact OE1-NZ 3.05Å; E348-K415 IonicContact OE2-NZ 2.82Å; E348-K415 PolarHBondContact OE2-NZ 3.22Å; E348-Y419 HydrophobicContact CG-CE2 3.84Å; E348-Y419 WeakPolarHBondContact CG-OH 3.36Å |
| 349 | E | 90.6 | Very high | 90.2 | Very high | 179 Ų | 179 | 31 Ų | 31 | 84% | 0.836 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -76.6 | -8.6 | 178.5 | -62.7 | -169.3 | 167.7 | 0 | 0 | 114.1 | K314 | K314-E349 WeakPolarHBondContact CB-O 3.43Å; K314-E349 PolarHBondContact N-O 3.42Å |
| 350 | F | 93 | Very high | 89.9 | Confident | 48 Ų | 48 | 33.7 Ų | 33.7 | 21% | 0.211 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 160.5 | 175 | 64.2 | -89.2 | 0 | 0 | 0 | 109.1 | Q311 M312 E348 | Q311-F350 HydrophobicContact CB-CD2 3.99Å; Q311-F350 HydrophobicContact CB-CE2 4.5Å; Q311-F350 HydrophobicContact CG-CD2 4.04Å; Q311-F350 HydrophobicContact CG-CE2 4.05Å; M312-F350 CarbonylContact O-C 3.6Å; M312-F350 VanDerWaalsContact O-CA 3.26Å; M312-F350 WeakPolarHBondContact O-CA 3.31Å; M312-F350 VanDerWaalsContact O-CB 3.31Å; M312-F350 WeakPolarHBondContact O-CB 3.25Å; E348-F350 HydrophobicContact CB-CD1 4.41Å; E348-F350 HydrophobicContact CB-CE1 4.26Å; E348-F350 HydrophobicContact CG-CE1 4.49Å; E348-F350 PolarHBondContact O-N 3.34Å |
| 351 | F | 93.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143 | 164.1 | 67.2 | -86.3 | 0 | 0 | 0 | 109.9 | V295 M312 R313 K314 F317 M319 I325 L342 S344 V381 | V295-F351 HydrophobicContact CG1-CZ 4.26Å; M312-F351 HydrophobicContact CB-CD1 4.2Å; M312-F351 HydrophobicContact CB-CD2 4.16Å; M312-F351 HydrophobicContact CB-CE1 3.72Å; M312-F351 HydrophobicContact CB-CE2 3.68Å; M312-F351 HydrophobicContact CB-CG 4.4Å; M312-F351 HydrophobicContact CB-CZ 3.44Å; M312-F351 VanDerWaalsContact CB-CZ 3.44Å; M312-F351 HydrophobicContact CE-CD2 3.7Å; M312-F351 HydrophobicContact CE-CE2 3.41Å; M312-F351 VanDerWaalsContact CE-CE2 3.41Å; M312-F351 HydrophobicContact CE-CZ 4.33Å; M312-F351 HydrophobicContact CG-CE2 4.23Å; M312-F351 HydrophobicContact CG-CZ 4.26Å; M312-F351 PolarHBondContact N-O 3.4Å; M312-F351 WeakPolarHBondContact O-CD1 3.14Å; M312-F351 PolarHBondContact O-N 3.4Å; M312-F351 HydrophobicContact SD-CD2 4.37Å; M312-F351 HydrophobicContact SD-CE2 3.53Å; M312-F351 VanDerWaalsContact SD-CE2 3.53Å; M312-F351 HydrophobicContact SD-CZ 3.93Å; R313-F351 WeakPolarHBondContact O-CE1 3.47Å; K314-F351 HydrophobicContact CB-CD1 4.22Å; F317-F351 HydrophobicContact CD1-CB 4.36Å; F317-F351 AromaticContact CD1-CD1 3.75Å; F317-F351 HydrophobicContact CD1-CD1 3.75Å; F317-F351 HydrophobicContact CD1-CE1 4.17Å; F317-F351 HydrophobicContact CD1-CG 4.03Å; F317-F351 HydrophobicContact CE1-CB 4.15Å; F317-F351 HydrophobicContact CE1-CD1 4.11Å; F317-F351 HydrophobicContact CE1-CD2 4.27Å; F317-F351 AromaticContact CE1-CG 3.93Å; F317-F351 HydrophobicContact CE1-CG 3.93Å; F317-F351 HydrophobicContact CG-CD1 4.37Å; F317-F351 HydrophobicContact CG-CE1 4.37Å; M319-F351 HydrophobicContact SD-CB 3.7Å; I325-F351 HydrophobicContact CD1-CD2 4.29Å; I325-F351 HydrophobicContact CD1-CE2 3.98Å; L342-F351 HydrophobicContact CD2-CB 4.2Å; L342-F351 HydrophobicContact CD2-CD2 3.86Å; L342-F351 HydrophobicContact CD2-CG 4.45Å; S344-F351 WeakPolarHBondContact OG-CA 3.36Å; F351-V381 HydrophobicContact CE2-CG2 4.35Å; F351-V381 HydrophobicContact CZ-CG2 4.48Å |
| 352 | S | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 153 | -177.3 | 70 | 0 | 0 | 0 | 0 | 113.1 | L310 L342 T343 S344 | L310-S352 WeakPolarHBondContact O-CA 2.92Å; L310-S352 WeakPolarHBondContact O-CB 3.3Å; L342-S352 WeakPolarHBondContact CA-O 3.48Å; T343-S352 PolarHBondContact N-O 2.96Å; T343-S352 VanDerWaalsContact OG1-C 3.3Å; T343-S352 PolarHBondContact OG1-O 2.83Å; T343-S352 VanDerWaalsContact OG1-O 3.04Å; T343-S352 PolarHBondContact OG1-OG 2.65Å; S344-S352 PolarHBondContact N-OG 3.31Å; S344-S352 PolarHBondContact OG-N 2.91Å |
| 353 | I | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.5 | 174 | 60.1 | -179.6 | 0 | 0 | 0 | 109.8 | E309 L310 M312 I325 V327 F340 L342 I355 | E309-I353 WeakPolarHBondContact CA-O 3.4Å; L310-I353 HydrophobicContact CB-CG1 4.04Å; L310-I353 HydrophobicContact CD1-CD1 4.42Å; L310-I353 PolarHBondContact N-O 2.85Å; L310-I353 PolarHBondContact O-N 3.31Å; L310-I353 VanDerWaalsContact O-N 3.08Å; M312-I353 HydrophobicContact CE-CD1 4.02Å; M312-I353 HydrophobicContact CE-CG1 3.88Å; M312-I353 HydrophobicContact CE-CG2 4.42Å; I325-I353 HydrophobicContact CD1-CG2 3.77Å; I325-I353 HydrophobicContact CG1-CG2 4.02Å; V327-I353 HydrophobicContact CG2-CD1 3.7Å; F340-I353 HydrophobicContact CB-CB 4.08Å; F340-I353 HydrophobicContact CB-CD1 4.28Å; F340-I353 HydrophobicContact CB-CG2 4Å; F340-I353 HydrophobicContact CD2-CD1 4.31Å; F340-I353 HydrophobicContact CG-CD1 4.42Å; L342-I353 HydrophobicContact CD2-CG2 4.11Å; I353-I355 HydrophobicContact CD1-CD1 3.82Å; I353-I355 HydrophobicContact CD1-CG1 4.19Å; I353-I355 HydrophobicContact CG1-CD1 4.32Å; I353-I355 HydrophobicContact CG1-CG1 4.29Å |
| 354 | H | 91.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.7 | 174 | -72.3 | 67 | 0 | 0 | 0 | 109.5 | H303 V307 L308 E309 T343 T408 W447 | H303-H354 AromaticContact NE2-NE2 3.83Å; V307-H354 HydrophobicContact CG1-CB 4.07Å; L308-H354 CarbonylContact O-C 3.27Å; L308-H354 WeakPolarHBondContact O-CA 3.16Å; E309-H354 IonicContact OE2-NE2 2.72Å; T343-H354 WeakPolarHBondContact CB-ND1 3.5Å; T343-H354 HydrophobicContact CG2-CB 4.13Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.31Å; T343-H354 PolarHBondContact OG1-CE1 3.23Å; T343-H354 PolarHBondContact OG1-ND1 3.47Å; H354-T408 HydrophobicContact CB-CG2 4.1Å; H354-W447 AromaticContact CD2-CD2 3.69Å; H354-W447 AromaticContact CD2-CE3 3.36Å; H354-W447 AromaticContact CD2-CZ3 3.6Å; H354-W447 AromaticContact CE1-CE3 3.95Å; H354-W447 AromaticContact CE1-CZ3 3.75Å; H354-W447 AromaticContact CG-CZ3 3.89Å; H354-W447 AromaticContact ND1-CZ3 3.98Å; H354-W447 AromaticContact NE2-CE3 3.25Å; H354-W447 AromaticContact NE2-CZ3 3.52Å |
| 355 | I | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.6 | -173.3 | -55.2 | 178.2 | 0 | 0 | 0 | 108.3 | V307 L308 L310 F340 I353 T362 L365 | V307-I355 CarbonylContact C-O 3.54Å; V307-I355 WeakPolarHBondContact CA-O 3.37Å; L308-I355 HydrophobicContact CB-CB 4.43Å; L308-I355 PolarHBondContact N-O 2.74Å; L308-I355 PolarHBondContact O-N 3.35Å; L310-I355 HydrophobicContact CD1-CD1 4.17Å; F340-I355 HydrophobicContact CD1-CB 4.48Å; F340-I355 HydrophobicContact CD1-CG1 3.81Å; F340-I355 HydrophobicContact CD2-CD1 4.3Å; F340-I355 HydrophobicContact CD2-CG1 4.38Å; F340-I355 HydrophobicContact CE1-CB 4.12Å; F340-I355 HydrophobicContact CE1-CD1 4.37Å; F340-I355 HydrophobicContact CE1-CG1 3.79Å; F340-I355 HydrophobicContact CE1-CG2 3.69Å; F340-I355 HydrophobicContact CE2-CD1 4.08Å; F340-I355 HydrophobicContact CE2-CG1 4.33Å; F340-I355 HydrophobicContact CG-CG1 4.13Å; F340-I355 HydrophobicContact CZ-CD1 4.13Å; F340-I355 HydrophobicContact CZ-CG1 4.05Å; F340-I355 HydrophobicContact CZ-CG2 3.84Å; I353-I355 HydrophobicContact CD1-CD1 3.82Å; I353-I355 HydrophobicContact CD1-CG1 4.19Å; I353-I355 HydrophobicContact CG1-CD1 4.32Å; I353-I355 HydrophobicContact CG1-CG1 4.29Å; I355-T362 HydrophobicContact CG2-CG2 4.01Å; I355-L365 HydrophobicContact CD1-CD2 3.43Å; I355-L365 VanDerWaalsContact CD1-CD2 3.43Å; I355-L365 HydrophobicContact CG2-CD2 4.48Å |
| 356 | R | 88.8 | Confident | 89.7 | Confident | 83 Ų | 83 | 39.8 Ų | 39.8 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 141.6 | 172.2 | -173.7 | -178.7 | -175.6 | -169.3 | 4.5 | 109.9 | V307 A358 I405 E441 | V307-R356 HydrophobicContact CG2-CB 4.2Å; V307-R356 HydrophobicContact CG2-CG 4.2Å; R356-A358 PolarHBondContact O-N 3.33Å; R356-A358 VanDerWaalsContact O-N 3.09Å; R356-I405 HydrophobicContact CB-CB 4.36Å; R356-I405 HydrophobicContact CB-CD1 4.18Å; R356-I405 HydrophobicContact CB-CG1 4.04Å; R356-E441 IonicContact NH2-OE1 2.83Å; R356-E441 PolarHBondContact NH2-OE1 3.03Å; R356-E441 IonicContact NH2-OE2 2.78Å; R356-E441 PolarHBondContact NH2-OE2 3.11Å |
| 357 | A | 85.8 | Confident | 89.8 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | trans | -58.8 | 110.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K306 E363 I366 | K306-A357 HydrophobicContact CB-CB 4.02Å; K306-A357 HydrophobicContact CD-CB 4.38Å; K306-A357 PolarHBondContact O-N 2.96Å; A357-E363 HydrophobicContact CB-CG 3.99Å; A357-I366 HydrophobicContact CB-CD1 3.72Å | ||
| 358 | A | 81.2 | Confident | 89.8 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 75% | 0.752 | 23% | 0.234 | S | C | * | . | trans | -136.2 | -12 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R356 T362 | R356-A358 PolarHBondContact O-N 3.33Å; R356-A358 VanDerWaalsContact O-N 3.09Å; A358-T362 PolarHBondContact N-OG1 3.08Å | ||
| 359 | G | 82.6 | Confident | 89.8 | Confident | 29 Ų | 29 | 43 Ų | 43 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -166.3 | 175 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | W361 T362 E363 | G359-W361 PolarHBondContact O-N 3.35Å; G359-T362 PolarHBondContact N-OG1 2.97Å; G359-T362 PolarHBondContact O-N 3.22Å; G359-T362 PolarHBondContact O-OG1 3.4Å; G359-E363 WeakPolarHBondContact O-CB 3.36Å; G359-E363 WeakPolarHBondContact O-CG 3.45Å; G359-E363 PolarHBondContact O-N 3.06Å |
| 360 | D | 84.6 | Confident | 89.6 | Confident | 102 Ų | 102 | 38.5 Ų | 38.5 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -50.3 | -50.8 | -178.7 | 55.5 | -13.3 | 0 | 0 | 0 | 113.5 | T362 E363 N364 | D360-T362 PolarHBondContact O-N 3.21Å; D360-E363 PolarHBondContact O-N 3.46Å; D360-N364 WeakPolarHBondContact O-CB 3.14Å; D360-N364 PolarHBondContact O-N 3.23Å; D360-N364 PolarHBondContact O-ND2 3.49Å |
| 361 | W | 88.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 179.3 | -174.5 | 95.1 | 0 | 0 | 0 | 112.1 | V327 C329 I332 H338 F340 G359 E363 N364 L365 | V327-W361 HydrophobicContact CG1-CH2 4.23Å; C329-W361 HydrophobicContact CB-CZ2 3.93Å; I332-W361 HydrophobicContact CG2-CG 4.32Å; H338-W361 HydrophobicContact CB-CE3 4.14Å; H338-W361 HydrophobicContact CB-CH2 4.26Å; H338-W361 HydrophobicContact CB-CZ3 3.95Å; H338-W361 AromaticContact CD2-CD1 3.82Å; H338-W361 AromaticContact CD2-CD2 3.17Å; H338-W361 AromaticContact CD2-CE2 3.39Å; H338-W361 AromaticContact CD2-CE3 3.48Å; H338-W361 VanDerWaalsContact CD2-CE3 3.48Å; H338-W361 AromaticContact CD2-CG 3.5Å; H338-W361 VanDerWaalsContact CD2-CG 3.5Å; H338-W361 AromaticContact CD2-CZ2 3.9Å; H338-W361 AromaticContact CD2-CZ3 3.98Å; H338-W361 AromaticContact CD2-NE1 3.76Å; H338-W361 AromaticContact CG-CD2 3.92Å; H338-W361 AromaticContact CG-CE3 3.74Å; H338-W361 WeakPolarHBondContact NE2-CB 3.32Å; H338-W361 AromaticContact NE2-CD1 3.52Å; H338-W361 AromaticContact NE2-CD2 3.42Å; H338-W361 AromaticContact NE2-CE2 3.92Å; H338-W361 AromaticContact NE2-CE3 3.96Å; H338-W361 AromaticContact NE2-CG 3.17Å; H338-W361 AromaticContact NE2-NE1 3.93Å; F340-W361 HydrophobicContact CE2-CH2 4.03Å; F340-W361 AromaticContact CE2-CZ3 3.67Å; F340-W361 HydrophobicContact CE2-CZ3 3.67Å; F340-W361 HydrophobicContact CZ-CE3 4.49Å; F340-W361 AromaticContact CZ-CZ3 3.7Å; F340-W361 HydrophobicContact CZ-CZ3 3.7Å; G359-W361 PolarHBondContact O-N 3.35Å; W361-E363 VanDerWaalsContact C-N 3.34Å; W361-E363 PolarHBondContact O-N 3.02Å; W361-N364 PolarHBondContact O-N 2.84Å; W361-L365 HydrophobicContact CH2-CD1 4.46Å; W361-L365 HydrophobicContact CH2-CD2 3.69Å; W361-L365 HydrophobicContact CZ3-CB 4.46Å; W361-L365 HydrophobicContact CZ3-CD2 3.67Å; W361-L365 WeakPolarHBondContact O-CB 3.48Å; W361-L365 PolarHBondContact O-N 3.41Å |
| 362 | T | 90.5 | Very high | 88 | Confident | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.08 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -36.4 | -179.7 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | F340 I355 A358 G359 D360 L365 I366 | F340-T362 HydrophobicContact CZ-CG2 4.19Å; I355-T362 HydrophobicContact CG2-CG2 4.01Å; A358-T362 PolarHBondContact N-OG1 3.08Å; G359-T362 PolarHBondContact N-OG1 2.97Å; G359-T362 PolarHBondContact O-N 3.22Å; G359-T362 PolarHBondContact O-OG1 3.4Å; D360-T362 PolarHBondContact O-N 3.21Å; T362-L365 PolarHBondContact O-N 3.15Å; T362-I366 WeakPolarHBondContact O-CD1 3.31Å; T362-I366 WeakPolarHBondContact O-CG1 3.34Å; T362-I366 PolarHBondContact O-N 2.89Å |
| 363 | E | 90.4 | Very high | 86.8 | Confident | 71 Ų | 71 | 56.2 Ų | 56.2 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 176.4 | -77.7 | -170 | -159.8 | 0 | 0 | 111.6 | A357 G359 D360 W361 L365 I366 R367 | A357-E363 HydrophobicContact CB-CG 3.99Å; G359-E363 WeakPolarHBondContact O-CB 3.36Å; G359-E363 WeakPolarHBondContact O-CG 3.45Å; G359-E363 PolarHBondContact O-N 3.06Å; D360-E363 PolarHBondContact O-N 3.46Å; W361-E363 VanDerWaalsContact C-N 3.34Å; W361-E363 PolarHBondContact O-N 3.02Å; E363-L365 VanDerWaalsContact C-N 3.27Å; E363-L365 PolarHBondContact O-N 3.46Å; E363-I366 PolarHBondContact O-N 3.3Å; E363-R367 VanDerWaalsContact O-CG 3.29Å; E363-R367 WeakPolarHBondContact O-CG 3.46Å; E363-R367 PolarHBondContact O-N 3.46Å; E363-R367 IonicContact OE2-NH2 2.83Å; E363-R367 PolarHBondContact OE2-NH2 2.88Å |
| 364 | N | 89.9 | Confident | 85.5 | Confident | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 177 | -70.3 | -25.3 | 0 | 0 | 0 | 111.5 | I332 D360 W361 R367 A368 | I332-N364 HydrophobicContact CD1-CB 4.45Å; I332-N364 HydrophobicContact CG2-CB 4.08Å; D360-N364 WeakPolarHBondContact O-CB 3.14Å; D360-N364 PolarHBondContact O-N 3.23Å; D360-N364 PolarHBondContact O-ND2 3.49Å; W361-N364 PolarHBondContact O-N 2.84Å; N364-R367 PolarHBondContact O-N 3.14Å; N364-A368 WeakPolarHBondContact O-CB 3.48Å; N364-A368 PolarHBondContact O-N 3.14Å |
| 365 | L | 91.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 174.3 | -172.6 | 74.9 | 0 | 0 | 0 | 111.7 | L308 C329 I332 I355 W361 T362 E363 R367 A368 F369 I379 | L308-L365 HydrophobicContact CD2-CD2 4.24Å; L308-L365 HydrophobicContact CD2-CG 4.24Å; C329-L365 HydrophobicContact CB-CD1 3.76Å; I332-L365 HydrophobicContact CD1-CB 3.58Å; I332-L365 HydrophobicContact CD1-CD1 3.52Å; I332-L365 HydrophobicContact CD1-CG 4.18Å; I355-L365 HydrophobicContact CD1-CD2 3.43Å; I355-L365 VanDerWaalsContact CD1-CD2 3.43Å; I355-L365 HydrophobicContact CG2-CD2 4.48Å; W361-L365 HydrophobicContact CH2-CD1 4.46Å; W361-L365 HydrophobicContact CH2-CD2 3.69Å; W361-L365 HydrophobicContact CZ3-CB 4.46Å; W361-L365 HydrophobicContact CZ3-CD2 3.67Å; W361-L365 WeakPolarHBondContact O-CB 3.48Å; W361-L365 PolarHBondContact O-N 3.41Å; T362-L365 PolarHBondContact O-N 3.15Å; E363-L365 VanDerWaalsContact C-N 3.27Å; E363-L365 PolarHBondContact O-N 3.46Å; L365-R367 VanDerWaalsContact C-N 3.32Å; L365-R367 PolarHBondContact O-N 3.25Å; L365-A368 PolarHBondContact O-N 3.45Å; L365-F369 HydrophobicContact CD1-CD2 4.1Å; L365-F369 HydrophobicContact CD1-CE2 3.72Å; L365-F369 HydrophobicContact CG-CD2 4.14Å; L365-F369 HydrophobicContact CG-CE2 4.19Å; L365-F369 WeakPolarHBondContact O-CD2 3.19Å; L365-F369 PolarHBondContact O-N 3.21Å; L365-F369 VanDerWaalsContact O-N 3.12Å; L365-I379 HydrophobicContact CD1-CD1 4.06Å |
| 366 | I | 92 | Very high | 84.2 | Confident | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 178.5 | -67.8 | 164.7 | 0 | 0 | 0 | 110.1 | L308 A357 T362 E363 A368 F369 E370 | L308-I366 HydrophobicContact CB-CG1 3.84Å; L308-I366 HydrophobicContact CD2-CG1 4.3Å; A357-I366 HydrophobicContact CB-CD1 3.72Å; T362-I366 WeakPolarHBondContact O-CD1 3.31Å; T362-I366 WeakPolarHBondContact O-CG1 3.34Å; T362-I366 PolarHBondContact O-N 2.89Å; E363-I366 PolarHBondContact O-N 3.3Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 3.33Å; I366-F369 PolarHBondContact O-N 3.49Å; I366-E370 HydrophobicContact CG2-CG 4.21Å; I366-E370 WeakPolarHBondContact CG2-OE1 3.38Å; I366-E370 WeakPolarHBondContact O-CB 3.4Å; I366-E370 WeakPolarHBondContact O-CG 3.47Å; I366-E370 PolarHBondContact O-N 3.48Å |
| 367 | R | 90.7 | Very high | 84.2 | Confident | 124 Ų | 124 | 69 Ų | 69 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.5 | -70.4 | 176.9 | -161.2 | -173 | 9.6 | 112.4 | E363 N364 L365 F369 E370 Q371 | E363-R367 VanDerWaalsContact O-CG 3.29Å; E363-R367 WeakPolarHBondContact O-CG 3.46Å; E363-R367 PolarHBondContact O-N 3.46Å; E363-R367 IonicContact OE2-NH2 2.83Å; E363-R367 PolarHBondContact OE2-NH2 2.88Å; N364-R367 PolarHBondContact O-N 3.14Å; L365-R367 VanDerWaalsContact C-N 3.32Å; L365-R367 PolarHBondContact O-N 3.25Å; R367-F369 VanDerWaalsContact C-N 3.31Å; R367-F369 PolarHBondContact O-N 3.33Å; R367-E370 PolarHBondContact O-N 3.41Å; R367-Q371 VanDerWaalsContact O-CG 3.28Å; R367-Q371 WeakPolarHBondContact O-CG 3.48Å; R367-Q371 PolarHBondContact O-N 3.02Å |
| 368 | A | 89.9 | Confident | 84.4 | Confident | 28 Ų | 28 | 74 Ų | 74 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N364 L365 I366 P377 | N364-A368 WeakPolarHBondContact O-CB 3.48Å; N364-A368 PolarHBondContact O-N 3.14Å; L365-A368 PolarHBondContact O-N 3.45Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 3.33Å; A368-P377 HydrophobicContact CB-CG 4.01Å |
| 369 | F | 90 | Very high | 84.9 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -80.5 | -28.3 | 175.7 | -79.6 | -79.1 | 0 | 0 | 0 | 113.5 | I297 V300 L308 L310 L365 I366 R367 M376 P377 I379 | I297-F369 HydrophobicContact CD1-CE1 3.77Å; I297-F369 HydrophobicContact CD1-CZ 3.73Å; V300-F369 HydrophobicContact CG1-CB 4.23Å; V300-F369 HydrophobicContact CG1-CD1 4Å; V300-F369 HydrophobicContact CG1-CG 4.4Å; V300-F369 HydrophobicContact CG2-CD1 3.95Å; V300-F369 HydrophobicContact CG2-CE1 4.12Å; L308-F369 HydrophobicContact CD1-CB 4Å; L308-F369 HydrophobicContact CD1-CG 4.41Å; L308-F369 HydrophobicContact CD2-CB 4.26Å; L308-F369 HydrophobicContact CD2-CD2 3.82Å; L308-F369 HydrophobicContact CD2-CG 4.22Å; L310-F369 HydrophobicContact CD1-CE2 4.29Å; L310-F369 HydrophobicContact CD1-CZ 4.43Å; L310-F369 HydrophobicContact CD2-CD1 4.18Å; L310-F369 HydrophobicContact CD2-CD2 4.46Å; L310-F369 HydrophobicContact CD2-CE1 4.02Å; L310-F369 HydrophobicContact CD2-CE2 4.33Å; L310-F369 HydrophobicContact CD2-CG 4.4Å; L310-F369 HydrophobicContact CD2-CZ 4.12Å; L365-F369 HydrophobicContact CD1-CD2 4.1Å; L365-F369 HydrophobicContact CD1-CE2 3.72Å; L365-F369 HydrophobicContact CG-CD2 4.14Å; L365-F369 HydrophobicContact CG-CE2 4.19Å; L365-F369 WeakPolarHBondContact O-CD2 3.19Å; L365-F369 PolarHBondContact O-N 3.21Å; L365-F369 VanDerWaalsContact O-N 3.12Å; I366-F369 PolarHBondContact O-N 3.49Å; R367-F369 VanDerWaalsContact C-N 3.31Å; R367-F369 PolarHBondContact O-N 3.33Å; F369-M376 HydrophobicContact CD1-CG 4.29Å; F369-M376 HydrophobicContact CE1-CG 3.64Å; F369-M376 HydrophobicContact CE1-SD 3.87Å; F369-M376 HydrophobicContact CZ-CG 4.47Å; F369-P377 HydrophobicContact CE2-CB 4.24Å; F369-P377 HydrophobicContact CE2-CG 4.38Å; F369-P377 HydrophobicContact CZ-CB 4.1Å; F369-P377 HydrophobicContact CZ-CG 4.34Å; F369-I379 HydrophobicContact CE2-CD1 4.16Å; F369-I379 HydrophobicContact CE2-CG1 4.49Å; F369-I379 HydrophobicContact CZ-CD1 4.24Å; F369-I379 HydrophobicContact CZ-CG1 4.08Å |
| 370 | E | 87.4 | Confident | 85.4 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 172.9 | -86.5 | 172.8 | 175.3 | 0 | 0 | 112.2 | I302 I366 R367 Q372 | I302-E370 HydrophobicContact CD1-CB 4.28Å; I302-E370 HydrophobicContact CD1-CG 3.43Å; I302-E370 VanDerWaalsContact CD1-CG 3.43Å; I302-E370 HydrophobicContact CG1-CG 4.47Å; I366-E370 HydrophobicContact CG2-CG 4.21Å; I366-E370 WeakPolarHBondContact CG2-OE1 3.38Å; I366-E370 WeakPolarHBondContact O-CB 3.4Å; I366-E370 WeakPolarHBondContact O-CG 3.47Å; I366-E370 PolarHBondContact O-N 3.48Å; R367-E370 PolarHBondContact O-N 3.41Å; E370-Q372 PolarHBondContact O-N 2.96Å |
| 371 | Q | 83.1 | Confident | 85.7 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.7 | -176.2 | -69.2 | 176.4 | 1.9 | 0 | 0 | 113.7 | R367 H373 | R367-Q371 VanDerWaalsContact O-CG 3.28Å; R367-Q371 WeakPolarHBondContact O-CG 3.48Å; R367-Q371 PolarHBondContact O-N 3.02Å; Q371-H373 WeakPolarHBondContact CB-ND1 3.23Å; Q371-H373 PolarHBondContact O-N 3.05Å; Q371-H373 PolarHBondContact O-ND1 3.33Å |
| 372 | Q | 69.6 | Low | 85.7 | Confident | 169 Ų | 169 | 65 Ų | 65 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | trans | 47.8 | 25.2 | 175.7 | -63.3 | -175 | 6.5 | 0 | 0 | 115.8 | E370 S374 | E370-Q372 PolarHBondContact O-N 2.96Å; Q372-S374 PolarHBondContact O-N 2.94Å | ||
| 373 | H | 69.5 | Low | 85.5 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 61% | 0.611 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 135.1 | 177.7 | -70.5 | 102.2 | 0 | 0 | 0 | 110.5 | Q371 P375 | Q371-H373 WeakPolarHBondContact CB-ND1 3.23Å; Q371-H373 PolarHBondContact O-N 3.05Å; Q371-H373 PolarHBondContact O-ND1 3.33Å; H373-P375 CarbonylContact O-C 3.53Å; H373-P375 VanDerWaalsContact O-C 3.27Å |
| 374 | S | 64.9 | Low | 85.3 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 85% | 0.853 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -86.5 | 129.9 | 169.1 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | Q372 | Q372-S374 PolarHBondContact O-N 2.94Š|
| 375 | P | 75.1 | Confident | 84.9 | Confident | 119 Ų | 119 | 59.2 Ų | 59.2 | 77% | 0.773 | 30% | 0.301 | S | S | * | . | S | Bend | cis | -82.1 | 147.4 | 4.8 | 32.2 | -34.2 | 0 | 0 | 0 | 113.8 | H373 | H373-P375 CarbonylContact O-C 3.53Å; H373-P375 VanDerWaalsContact O-C 3.27Å |
| 376 | M | 82.3 | Confident | 84 | Confident | 107 Ų | 107 | 60.1 Ų | 60.1 | 53% | 0.527 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -60 | 141.3 | 176 | -173.4 | 173.9 | -72.1 | 0 | 0 | 111.4 | I297 V300 F369 R378 | I297-M376 HydrophobicContact CB-SD 4.1Å; I297-M376 HydrophobicContact CD1-CG 4.34Å; I297-M376 HydrophobicContact CD1-SD 3.84Å; I297-M376 HydrophobicContact CG2-SD 4.02Å; V300-M376 HydrophobicContact CG2-CE 4.17Å; V300-M376 HydrophobicContact CG2-SD 4.22Å; F369-M376 HydrophobicContact CD1-CG 4.29Å; F369-M376 HydrophobicContact CE1-CG 3.64Å; F369-M376 HydrophobicContact CE1-SD 3.87Å; F369-M376 HydrophobicContact CZ-CG 4.47Å; M376-R378 PolarHBondContact O-N 3.4Å |
| 377 | P | 88.6 | Confident | 83 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -55 | 132.1 | 177.1 | -26.1 | 34.4 | 0 | 0 | 0 | 112.1 | A368 F369 | A368-P377 HydrophobicContact CB-CG 4.01Å; F369-P377 HydrophobicContact CE2-CB 4.24Å; F369-P377 HydrophobicContact CE2-CG 4.38Å; F369-P377 HydrophobicContact CZ-CB 4.1Å; F369-P377 HydrophobicContact CZ-CG 4.34Å |
| 378 | R | 89.9 | Confident | 81.8 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 136.4 | 174.1 | -179.8 | 178.7 | 170.6 | -166.3 | -7.7 | 109.6 | P330 M376 E380 | P330-R378 WeakPolarHBondContact CD-O 3.46Å; M376-R378 PolarHBondContact O-N 3.4Å; R378-E380 IonicContact CZ-OE1 2.85Å; R378-E380 IonicContact NE-OE1 3.61Å; R378-E380 IonicContact NH2-OE1 3.06Å; R378-E380 PolarHBondContact NH2-OE1 3.42Å |
| 379 | I | 91.9 | Very high | 80.9 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -112.2 | 134.7 | 174.3 | -63.9 | -63.2 | 0 | 0 | 0 | 109.9 | I297 M312 V327 C329 L365 F369 V381 | I297-I379 HydrophobicContact CD1-CG1 3.89Å; M312-I379 HydrophobicContact SD-CG2 4.46Å; V327-I379 HydrophobicContact CG1-CD1 4.35Å; V327-I379 HydrophobicContact CG1-CG2 3.63Å; C329-I379 HydrophobicContact CB-CD1 3.87Å; L365-I379 HydrophobicContact CD1-CD1 4.06Å; F369-I379 HydrophobicContact CE2-CD1 4.16Å; F369-I379 HydrophobicContact CE2-CG1 4.49Å; F369-I379 HydrophobicContact CZ-CD1 4.24Å; F369-I379 HydrophobicContact CZ-CG1 4.08Å; I379-V381 HydrophobicContact CG2-CG2 4.14Å | ||
| 380 | E | 92.6 | Very high | 80 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 11% | 0.107 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.5 | 171 | -54.8 | -169 | 162.7 | 0 | 0 | 109.8 | V327 N328 P330 W337 R378 | V327-E380 WeakPolarHBondContact CA-O 3.37Å; N328-E380 HydrophobicContact CB-CB 4.33Å; N328-E380 PolarHBondContact N-O 2.87Å; N328-E380 PolarHBondContact O-N 3.4Å; P330-E380 HydrophobicContact CG-CG 4.19Å; W337-E380 HydrophobicContact CH2-CB 3.63Å; W337-E380 HydrophobicContact CZ2-CB 4.48Å; W337-E380 HydrophobicContact CZ3-CB 4.23Å; R378-E380 IonicContact CZ-OE1 2.85Å; R378-E380 IonicContact NE-OE1 3.61Å; R378-E380 IonicContact NH2-OE1 3.06Å; R378-E380 PolarHBondContact NH2-OE1 3.42Å |
| 381 | V | 91 | Very high | 79.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.2 | -174.4 | 171.8 | 0 | 0 | 0 | 0 | 110 | Q293 V295 M312 I325 F326 F351 I379 | Q293-V381 PolarHBondContact NE2-O 2.96Å; V295-V381 HydrophobicContact CG1-CG2 4.33Å; V295-V381 HydrophobicContact CG2-CB 3.9Å; V295-V381 HydrophobicContact CG2-CG2 3.76Å; M312-V381 HydrophobicContact SD-CG2 4.22Å; I325-V381 HydrophobicContact CB-CG1 4.05Å; I325-V381 HydrophobicContact CD1-CG1 3.83Å; I325-V381 HydrophobicContact CD1-CG2 4.13Å; I325-V381 HydrophobicContact CG2-CG1 4.21Å; F326-V381 WeakPolarHBondContact O-CA 3.31Å; F351-V381 HydrophobicContact CE2-CG2 4.35Å; F351-V381 HydrophobicContact CZ-CG2 4.48Å; I379-V381 HydrophobicContact CG2-CG2 4.14Å |
| 382 | D | 89.3 | Confident | 79.4 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 112.3 | 167.2 | 176.9 | 31.7 | 0 | 0 | 0 | 108.3 | R287 R290 F326 W337 F385 | R287-D382 IonicContact NH1-OD2 2.61Å; R287-D382 PolarHBondContact NH1-OD2 3.25Å; R290-D382 IonicContact CZ-OD1 2.73Å; R290-D382 VanDerWaalsContact CZ-OD1 3.23Å; R290-D382 IonicContact NE-OD1 3.97Å; R290-D382 PolarHBondContact NE-OD1 3.09Å; R290-D382 IonicContact NH2-OD1 3.17Å; R290-D382 PolarHBondContact NH2-OD1 2.98Å; F326-D382 HydrophobicContact CB-CB 4.16Å; F326-D382 PolarHBondContact N-O 3.18Å; F326-D382 PolarHBondContact O-N 3.09Å; W337-D382 HydrophobicContact CE3-CB 4.21Å; W337-D382 HydrophobicContact CZ3-CB 3.95Å; D382-F385 VanDerWaalsContact O-CE2 3.3Å; D382-F385 WeakPolarHBondContact O-CE2 3.14Å; D382-F385 WeakPolarHBondContact OD2-CZ 3.42Å |
| 383 | G | 86.1 | Confident | 80 | Confident | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R290 | R290-G383 PolarHBondContact NH1-O 2.79Å; R290-G383 PolarHBondContact NH2-O 2.93Å |
| 384 | P | 86.6 | Confident | 80.6 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -86.1 | 164.3 | -0.6 | 36.1 | -36.1 | 0 | 0 | 0 | 113.2 | F317 S318 M319 Q323 I325 L342 | F317-P384 HydrophobicContact CE2-CB 4.47Å; F317-P384 HydrophobicContact CE2-CG 4.4Å; F317-P384 HydrophobicContact CZ-CB 4Å; F317-P384 HydrophobicContact CZ-CG 4.21Å; S318-P384 WeakPolarHBondContact O-CD 3.37Å; S318-P384 WeakPolarHBondContact O-CG 3.27Å; M319-P384 HydrophobicContact CB-CG 4.48Å; Q323-P384 HydrophobicContact CB-CB 4.11Å; Q323-P384 VanDerWaalsContact OE1-CG 3.24Å; I325-P384 HydrophobicContact CG2-CB 4.47Å; L342-P384 HydrophobicContact CD1-CB 4.24Å |
| 385 | F | 81.6 | Confident | 81.6 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.1 | 174.7 | -63.8 | -75.8 | 0 | 0 | 0 | 110.4 | R73 N74 Q323 Y324 F326 D382 | R73-F385 HydrophobicContact CB-CD1 3.98Å; R73-F385 HydrophobicContact CB-CE1 3.98Å; N74-F385 VanDerWaalsContact OD1-CE1 3.3Å; N74-F385 WeakPolarHBondContact OD1-CE1 3.45Å; Q323-F385 WeakPolarHBondContact CA-O 3.47Å; Q323-F385 WeakPolarHBondContact CB-O 3.37Å; Y324-F385 HydrophobicContact CD1-CB 3.98Å; Y324-F385 WeakPolarHBondContact CD1-O 3.37Å; Y324-F385 HydrophobicContact CE1-CB 3.49Å; Y324-F385 VanDerWaalsContact CE1-CB 3.49Å; Y324-F385 HydrophobicContact CE2-CB 4.17Å; Y324-F385 HydrophobicContact CE2-CD2 4.37Å; Y324-F385 HydrophobicContact CG-CB 4.49Å; Y324-F385 PolarHBondContact N-O 3.44Å; Y324-F385 PolarHBondContact O-N 3.06Å; F326-F385 AromaticContact CD2-CD2 3.76Å; F326-F385 HydrophobicContact CD2-CD2 3.76Å; F326-F385 AromaticContact CD2-CE2 3.52Å; F326-F385 HydrophobicContact CD2-CE2 3.52Å; F326-F385 HydrophobicContact CD2-CZ 4.48Å; F326-F385 HydrophobicContact CE2-CD2 4.02Å; F326-F385 HydrophobicContact CE2-CE2 4.06Å; D382-F385 VanDerWaalsContact O-CE2 3.3Å; D382-F385 WeakPolarHBondContact O-CE2 3.14Å; D382-F385 WeakPolarHBondContact OD2-CZ 3.42Å |
| 386 | G | 72.4 | Confident | 82.2 | Confident | 19 Ų | 19 | 28 Ų | 28 | 20% | 0.196 | 14% | 0.14 | C | C | . | . | trans | -70.8 | 151.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E390 | G386-E390 WeakPolarHBondContact CA-OE1 3.3Š| ||
| 387 | T | 70.1 | Confident | 82.7 | Confident | 8 Ų | 8 | 23 Ų | 23 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | trans | -135.3 | 161.3 | 179.2 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | R80 G322 Y324 S389 E390 E562 F564 | R80-T387 PolarHBondContact NH2-O 2.87Å; G322-T387 VanDerWaalsContact C-OG1 3.23Å; G322-T387 WeakPolarHBondContact O-CB 3.35Å; G322-T387 WeakPolarHBondContact O-CG2 3.23Å; G322-T387 PolarHBondContact O-OG1 3.13Å; Y324-T387 HydrophobicContact CD1-CG2 3.43Å; Y324-T387 VanDerWaalsContact CD1-CG2 3.43Å; Y324-T387 HydrophobicContact CE1-CG2 3.9Å; T387-S389 PolarHBondContact O-N 3.39Å; T387-S389 VanDerWaalsContact O-N 3.14Å; T387-E390 PolarHBondContact N-OE1 3.05Å; T387-E390 WeakPolarHBondContact O-CB 3.37Å; T387-E390 WeakPolarHBondContact O-CG 3.33Å; T387-E390 PolarHBondContact O-N 3Å; T387-E390 VanDerWaalsContact O-N 3.16Å; T387-E562 WeakPolarHBondContact CB-OE2 3.38Å; T387-F564 HydrophobicContact CG2-CE1 4.25Å | ||
| 388 | V | 65.1 | Low | 83 | Confident | 21 Ų | 21 | 22 Ų | 22 | 13% | 0.127 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -62.2 | -24.8 | -179.7 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | D95 E390 D391 N560 | D95-V388 HydrophobicContact CB-CG2 4.27Å; V388-E390 PolarHBondContact O-N 3.08Å; V388-D391 PolarHBondContact O-N 3.21Å; V388-N560 HydrophobicContact CG1-CB 3.69Å |
| 389 | S | 70.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -59.4 | -20.7 | 175.8 | -75.6 | 0 | 0 | 0 | 0 | 114.7 | T387 D391 V392 E562 | T387-S389 PolarHBondContact O-N 3.39Å; T387-S389 VanDerWaalsContact O-N 3.14Å; S389-D391 PolarHBondContact O-N 3.23Å; S389-V392 WeakPolarHBondContact O-CB 3.3Å; S389-V392 WeakPolarHBondContact O-CG2 3.28Å; S389-V392 PolarHBondContact O-N 2.82Å; S389-E562 WeakPolarHBondContact CA-OE1 3.16Å; S389-E562 VanDerWaalsContact CB-OE1 3.25Å; S389-E562 WeakPolarHBondContact CB-OE1 3.46Å; S389-E562 PolarHBondContact N-OE1 3.14Å; S389-E562 PolarHBondContact OG-OE1 3.41Å |
| 390 | E | 71.7 | Confident | 83.3 | Confident | 38 Ų | 38 | 15.7 Ų | 15.7 | 18% | 0.178 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -59.8 | -28.7 | 172 | -65.9 | 171.7 | 179.3 | 0 | 0 | 112.4 | R80 E320 Q323 G386 T387 V388 V392 | R80-E390 IonicContact CZ-OE2 3.51Å; R80-E390 VanDerWaalsContact CZ-OE2 3.32Å; R80-E390 IonicContact NE-OE2 3.88Å; R80-E390 PolarHBondContact NE-OE2 3.42Å; R80-E390 VanDerWaalsContact NE-OE2 3.09Å; R80-E390 IonicContact NH2-OE2 3.92Å; R80-E390 PolarHBondContact NH2-OE2 3.09Å; E320-E390 HydrophobicContact CB-CG 4.47Å; Q323-E390 HydrophobicContact CG-CG 4.38Å; Q323-E390 VanDerWaalsContact CG-OE1 3.29Å; Q323-E390 WeakPolarHBondContact CG-OE1 3.49Å; Q323-E390 PolarHBondContact NE2-OE1 2.92Å; G386-E390 WeakPolarHBondContact CA-OE1 3.3Å; T387-E390 PolarHBondContact N-OE1 3.05Å; T387-E390 WeakPolarHBondContact O-CB 3.37Å; T387-E390 WeakPolarHBondContact O-CG 3.33Å; T387-E390 PolarHBondContact O-N 3Å; T387-E390 VanDerWaalsContact O-N 3.16Å; V388-E390 PolarHBondContact O-N 3.08Å; E390-V392 PolarHBondContact O-N 2.88Å |
| 391 | D | 75.7 | Confident | 83.4 | Confident | 12 Ų | 12 | 14.6 Ų | 14.6 | 6% | 0.064 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -81.2 | -0.1 | -177.1 | -67.9 | -28.9 | 0 | 0 | 0 | 112.8 | R91 V388 S389 F393 Q394 Y395 | R91-D391 IonicContact NH1-OD1 3.05Å; R91-D391 PolarHBondContact NH1-OD1 3.02Å; R91-D391 VanDerWaalsContact NH1-OD1 3.13Å; V388-D391 PolarHBondContact O-N 3.21Å; S389-D391 PolarHBondContact O-N 3.23Å; D391-F393 PolarHBondContact O-N 2.73Å; D391-Q394 VanDerWaalsContact O-CB 3.28Å; D391-Q394 WeakPolarHBondContact O-CB 3.32Å; D391-Q394 PolarHBondContact O-N 3.09Å; D391-Q394 PolarHBondContact OD1-NE2 3.48Å; D391-Y395 HydrophobicContact CB-CE2 4.41Å; D391-Y395 VanDerWaalsContact O-CD2 3.26Å; D391-Y395 WeakPolarHBondContact O-CD2 3.34Å; D391-Y395 WeakPolarHBondContact O-CE2 3.37Å |
| 392 | V | 82.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -52.5 | -44 | 179.6 | 166.3 | 0 | 0 | 0 | 0 | 111.4 | S389 E390 Q394 Y395 A398 L400 I413 T430 F529 | S389-V392 WeakPolarHBondContact O-CB 3.3Å; S389-V392 WeakPolarHBondContact O-CG2 3.28Å; S389-V392 PolarHBondContact O-N 2.82Å; E390-V392 PolarHBondContact O-N 2.88Å; V392-Q394 PolarHBondContact O-N 3.02Å; V392-Q394 VanDerWaalsContact O-N 3.08Å; V392-Y395 PolarHBondContact O-N 2.7Å; V392-A398 HydrophobicContact CG1-CB 4Å; V392-L400 HydrophobicContact CG1-CD2 4.28Å; V392-L400 HydrophobicContact CG2-CD2 3.94Å; V392-I413 HydrophobicContact CB-CD1 4.5Å; V392-I413 HydrophobicContact CG1-CG2 3.99Å; V392-I413 HydrophobicContact CG2-CD1 3.84Å; V392-T430 PolarHBondContact O-OG1 2.9Å; V392-F529 HydrophobicContact CB-CE2 4.24Å; V392-F529 HydrophobicContact CB-CZ 4.18Å; V392-F529 HydrophobicContact CG2-CD1 3.82Å; V392-F529 HydrophobicContact CG2-CD2 3.71Å; V392-F529 HydrophobicContact CG2-CE1 3.7Å; V392-F529 HydrophobicContact CG2-CE2 3.58Å; V392-F529 HydrophobicContact CG2-CG 3.82Å; V392-F529 HydrophobicContact CG2-CZ 3.56Å |
| 393 | F | 82.3 | Confident | 83.6 | Confident | 41 Ų | 41 | 15.3 Ų | 15.3 | 18% | 0.18 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -69.9 | -5.1 | -178.4 | -57 | -42.1 | 0 | 0 | 0 | 114.7 | V321 D391 I413 I417 L428 T430 | V321-F393 HydrophobicContact CB-CE2 4.32Å; V321-F393 HydrophobicContact CG1-CE2 3.97Å; V321-F393 HydrophobicContact CG1-CZ 4.14Å; V321-F393 HydrophobicContact CG2-CD2 4.18Å; V321-F393 HydrophobicContact CG2-CE2 3.43Å; V321-F393 VanDerWaalsContact CG2-CE2 3.43Å; V321-F393 HydrophobicContact CG2-CZ 4Å; D391-F393 PolarHBondContact O-N 2.73Å; F393-I413 HydrophobicContact CE1-CG2 4.23Å; F393-I413 HydrophobicContact CZ-CG2 4.37Å; F393-I417 HydrophobicContact CD1-CG1 4.43Å; F393-I417 HydrophobicContact CE1-CD1 3.9Å; F393-I417 HydrophobicContact CE1-CG1 3.42Å; F393-I417 VanDerWaalsContact CE1-CG1 3.42Å; F393-I417 HydrophobicContact CZ-CG1 4.02Å; F393-L428 HydrophobicContact CB-CD1 4.45Å; F393-L428 HydrophobicContact CD1-CD1 3.71Å; F393-L428 HydrophobicContact CE1-CD1 4.27Å; F393-L428 HydrophobicContact CG-CD1 4.21Å; F393-T430 WeakPolarHBondContact CA-OG1 3.34Å |
| 394 | Q | 82.3 | Confident | 83.6 | Confident | 49 Ų | 49 | 16 Ų | 16 | 23% | 0.229 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -88.7 | -13.6 | 177 | -59.2 | -177.9 | 18.8 | 0 | 0 | 113 | R88 D391 V392 K429 | R88-Q394 PolarHBondContact NH2-O 3.24Å; D391-Q394 VanDerWaalsContact O-CB 3.28Å; D391-Q394 WeakPolarHBondContact O-CB 3.32Å; D391-Q394 PolarHBondContact O-N 3.09Å; D391-Q394 PolarHBondContact OD1-NE2 3.48Å; V392-Q394 PolarHBondContact O-N 3.02Å; V392-Q394 VanDerWaalsContact O-N 3.08Å; Q394-K429 WeakPolarHBondContact O-CD 3.38Å |
| 395 | Y | 86.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 3% | 0.027 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -97.2 | 142.5 | 179 | -62.6 | -89.5 | 0 | 0 | 0 | 110.3 | D391 V392 V397 T430 G527 F529 Y558 N560 | D391-Y395 HydrophobicContact CB-CE2 4.41Å; D391-Y395 VanDerWaalsContact O-CD2 3.26Å; D391-Y395 WeakPolarHBondContact O-CD2 3.34Å; D391-Y395 WeakPolarHBondContact O-CE2 3.37Å; V392-Y395 PolarHBondContact O-N 2.7Å; Y395-V397 VanDerWaalsContact C-N 3.34Å; Y395-V397 WeakPolarHBondContact CB-O 3.31Å; Y395-T430 WeakPolarHBondContact O-CA 3.24Å; Y395-T430 WeakPolarHBondContact O-CB 3.43Å; Y395-T430 PolarHBondContact O-OG1 3.39Å; Y395-G527 VanDerWaalsContact CD1-CA 3.45Å; Y395-G527 VanDerWaalsContact CD1-N 3.31Å; Y395-F529 AromaticContact CD2-CE2 3.89Å; Y395-F529 HydrophobicContact CD2-CE2 3.89Å; Y395-F529 AromaticContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CE2-CE2 4.12Å; Y395-F529 AromaticContact CE2-CZ 3.53Å; Y395-F529 HydrophobicContact CE2-CZ 3.53Å; Y395-Y558 HydrophobicContact CD1-CD2 4.24Å; Y395-Y558 AromaticContact CE1-CD2 3.61Å; Y395-Y558 HydrophobicContact CE1-CD2 3.61Å; Y395-Y558 HydrophobicContact CE1-CE2 4.45Å; Y395-Y558 AromaticContact CE1-CG 3.85Å; Y395-Y558 HydrophobicContact CE1-CG 3.85Å; Y395-N560 PolarHBondContact OH-ND2 3.07Å |
| 396 | E | 88.3 | Confident | 83.7 | Confident | 65 Ų | 65 | 17.4 Ų | 17.4 | 30% | 0.304 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -68.5 | -39.4 | 174.9 | -177.4 | -179.3 | -176.5 | 0 | 0 | 110.6 | Q431 K432 | E396-Q431 HydrophobicContact CG-CG 4.31Å; E396-Q431 PolarHBondContact O-N 3.2Å; E396-K432 PolarHBondContact O-N 3.44Å |
| 397 | V | 92.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.9 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | Y395 K432 Y434 H521 A524 V526 G527 | Y395-V397 VanDerWaalsContact C-N 3.34Å; Y395-V397 WeakPolarHBondContact CB-O 3.31Å; V397-K432 WeakPolarHBondContact CA-O 3.33Å; V397-K432 HydrophobicContact CG1-CB 4.4Å; V397-K432 HydrophobicContact CG2-CB 4.37Å; V397-Y434 HydrophobicContact CG1-CD2 3.87Å; V397-Y434 HydrophobicContact CG1-CE2 3.72Å; V397-H521 HydrophobicContact CG2-CB 4.3Å; V397-A524 HydrophobicContact CG2-CB 3.94Å; V397-V526 HydrophobicContact CB-CG1 4.34Å; V397-V526 HydrophobicContact CB-CG2 4.15Å; V397-V526 HydrophobicContact CG1-CG1 4.12Å; V397-V526 HydrophobicContact CG1-CG2 4.42Å; V397-V526 CarbonylContact O-C 3.46Å; V397-V526 WeakPolarHBondContact O-CA 3.45Å; V397-G527 PolarHBondContact O-N 3.38Å |
| 398 | A | 93.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V392 L400 T430 K432 I433 Y434 G527 | V392-A398 HydrophobicContact CG1-CB 4Å; A398-L400 HydrophobicContact CB-CD2 4.25Å; A398-T430 HydrophobicContact CB-CG2 4.34Å; A398-K432 PolarHBondContact N-O 3.08Å; A398-I433 HydrophobicContact CB-CG1 4.33Å; A398-I433 CarbonylContact O-C 3.41Å; A398-I433 WeakPolarHBondContact O-CA 3.49Å; A398-Y434 PolarHBondContact O-N 3.43Å; A398-G527 CarbonylContact C-O 3.56Å; A398-G527 WeakPolarHBondContact CA-O 3.34Å |
| 399 | V | 95.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 108.2 | 171.4 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | V401 Y434 Y436 I517 V526 G527 V528 F529 | V399-V401 HydrophobicContact CG1-CG2 3.98Å; V399-Y434 CarbonylContact C-O 3.58Å; V399-Y434 WeakPolarHBondContact CA-O 3.14Å; V399-Y434 HydrophobicContact CG2-CD2 4.32Å; V399-Y436 HydrophobicContact CG1-CD2 3.95Å; V399-Y436 HydrophobicContact CG1-CE2 3.84Å; V399-I517 HydrophobicContact CG2-CD1 3.89Å; V399-V526 HydrophobicContact CG2-CG1 3.69Å; V399-G527 PolarHBondContact N-O 3.28Å; V399-V528 HydrophobicContact CB-CB 4.42Å; V399-V528 HydrophobicContact CB-CG1 4.32Å; V399-V528 HydrophobicContact CB-CG2 4.13Å; V399-V528 HydrophobicContact CG1-CG1 4.3Å; V399-V528 HydrophobicContact CG2-CG2 4.37Å; V399-V528 CarbonylContact O-C 3.59Å; V399-V528 WeakPolarHBondContact O-CA 3.11Å; V399-F529 PolarHBondContact O-N 2.99Å |
| 400 | L | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.3 | -178 | -54.4 | -176.8 | 0 | 0 | 0 | 108.5 | V392 A398 F410 I413 L414 I433 Y434 F435 Y436 F529 | V392-L400 HydrophobicContact CG1-CD2 4.28Å; V392-L400 HydrophobicContact CG2-CD2 3.94Å; A398-L400 HydrophobicContact CB-CD2 4.25Å; L400-F410 HydrophobicContact CB-CD1 3.78Å; L400-F410 HydrophobicContact CB-CD2 4.43Å; L400-F410 HydrophobicContact CB-CE1 3.93Å; L400-F410 HydrophobicContact CB-CG 4.06Å; L400-F410 HydrophobicContact CB-CZ 4.32Å; L400-F410 HydrophobicContact CD1-CB 4.38Å; L400-F410 HydrophobicContact CD1-CD1 3.9Å; L400-F410 HydrophobicContact CD1-CG 4.35Å; L400-F410 HydrophobicContact CD2-CD1 3.81Å; L400-F410 HydrophobicContact CD2-CE1 3.75Å; L400-F410 HydrophobicContact CG-CD1 4.02Å; L400-F410 HydrophobicContact CG-CE1 4.28Å; L400-I413 HydrophobicContact CD1-CG2 4.22Å; L400-L414 HydrophobicContact CD1-CD2 4.41Å; L400-I433 HydrophobicContact CD1-CG2 3.73Å; L400-I433 HydrophobicContact CG-CG2 3.96Å; L400-Y434 PolarHBondContact N-O 3.24Å; L400-F435 HydrophobicContact CB-CD2 3.89Å; L400-F435 CarbonylContact O-C 3.58Å; L400-F435 WeakPolarHBondContact O-CA 3.35Å; L400-Y436 PolarHBondContact O-N 3.42Å; L400-F529 HydrophobicContact CD2-CB 4.02Å; L400-F529 HydrophobicContact CD2-CD2 3.92Å; L400-F529 HydrophobicContact CD2-CG 4.23Å |
| 401 | V | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 108.9 | -178.6 | -172 | 0 | 0 | 0 | 0 | 109.8 | V399 F410 Y436 I438 W510 F529 L530 C531 L536 L540 | V399-V401 HydrophobicContact CG1-CG2 3.98Å; V401-F410 VanDerWaalsContact C-CE2 3.46Å; V401-F410 VanDerWaalsContact O-CE2 3.31Å; V401-F410 WeakPolarHBondContact O-CE2 3.45Å; V401-Y436 CarbonylContact C-O 3.55Å; V401-Y436 WeakPolarHBondContact CA-O 3.39Å; V401-Y436 HydrophobicContact CG2-CD2 4.26Å; V401-I438 HydrophobicContact CG1-CD1 4.11Å; V401-W510 HydrophobicContact CG1-CH2 3.67Å; V401-W510 HydrophobicContact CG1-CZ2 4.02Å; V401-W510 HydrophobicContact CG2-CH2 3.97Å; V401-W510 HydrophobicContact CG2-CZ3 4.26Å; V401-F529 PolarHBondContact N-O 2.69Å; V401-L530 HydrophobicContact CB-CD1 4.01Å; V401-L530 HydrophobicContact CG1-CD1 3.88Å; V401-L530 WeakPolarHBondContact O-CA 3.42Å; V401-L530 WeakPolarHBondContact O-CD1 3.32Å; V401-C531 PolarHBondContact O-N 3.43Å; V401-L536 HydrophobicContact CG1-CD2 4.09Å; V401-L540 HydrophobicContact CB-CD1 4.05Å; V401-L540 HydrophobicContact CG1-CD1 4.09Å; V401-L540 HydrophobicContact CG2-CD1 3.94Å |
| 402 | G | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y436 W437 I438 | G402-Y436 PolarHBondContact N-O 3.09Å; G402-W437 WeakPolarHBondContact O-CA 3.46Å; G402-I438 PolarHBondContact O-N 3.16Å |
| 403 | A | 90.3 | Very high | 89.2 | Confident | 22 Ų | 22 | 13.3 Ų | 13.3 | 18% | 0.182 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I405 G406 I438 C531 L536 | A403-I405 PolarHBondContact O-N 2.89Å; A403-G406 PolarHBondContact O-N 2.79Å; A403-I438 CarbonylContact C-O 3.54Å; A403-I438 VanDerWaalsContact CA-O 3.31Å; A403-I438 WeakPolarHBondContact CA-O 3.15Å; A403-C531 PolarHBondContact N-O 3.41Å; A403-L536 HydrophobicContact CB-CD2 4.33Å |
| 404 | G | 86.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 11.6 Ų | 11.6 | 21% | 0.206 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | 58.1 | -130 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | G406 W437 I438 | G404-G406 PolarHBondContact O-N 2.89Å; G404-W437 PolarHBondContact O-NE1 3.26Å; G404-I438 PolarHBondContact N-O 3.09Å |
| 405 | I | 84.4 | Confident | 89.8 | Confident | 55 Ų | 55 | 11 Ų | 11 | 28% | 0.282 | 6% | 0.064 | S | C | . | . | G | 310 helix | trans | -65.2 | -13.4 | 175 | -161.9 | 61.9 | 0 | 0 | 0 | 112.7 | V307 R356 A403 V407 T408 W447 | V307-I405 HydrophobicContact CG1-CD1 4.39Å; R356-I405 HydrophobicContact CB-CB 4.36Å; R356-I405 HydrophobicContact CB-CD1 4.18Å; R356-I405 HydrophobicContact CB-CG1 4.04Å; A403-I405 PolarHBondContact O-N 2.89Å; I405-V407 PolarHBondContact O-N 2.84Å; I405-T408 HydrophobicContact CD1-CG2 3.99Å; I405-T408 HydrophobicContact CG1-CG2 4.1Å; I405-T408 VanDerWaalsContact O-CG2 3.3Å; I405-T408 WeakPolarHBondContact O-CG2 3.43Å; I405-T408 PolarHBondContact O-N 3.02Å; I405-T408 VanDerWaalsContact O-N 3.16Å; I405-T408 PolarHBondContact O-OG1 2.96Å; I405-W447 HydrophobicContact CD1-CZ2 4.38Å |
| 406 | G | 85.1 | Confident | 89.9 | Confident | 7 Ų | 7 | 10.8 Ų | 10.8 | 7% | 0.072 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -63.7 | 1.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A403 G404 T408 P409 C531 | A403-G406 PolarHBondContact O-N 2.79Å; G404-G406 PolarHBondContact O-N 2.89Å; G406-T408 VanDerWaalsContact C-N 3.29Å; G406-P409 WeakPolarHBondContact O-CD 3.14Å; G406-C531 WeakPolarHBondContact CA-SG 3.43Å; G406-C531 WeakPolarHBondContact O-CB 3.36Å; G406-C531 PolarHBondContact O-SG 3.17Å |
| 407 | V | 87.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -72.3 | -21 | 169.9 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | I405 F410 A411 F435 W437 W447 F448 | I405-V407 PolarHBondContact O-N 2.84Å; V407-F410 WeakPolarHBondContact O-CA 3.49Å; V407-F410 WeakPolarHBondContact O-CB 3.38Å; V407-F410 PolarHBondContact O-N 2.85Å; V407-A411 PolarHBondContact O-N 3.31Å; V407-F435 HydrophobicContact CG2-CE2 4Å; V407-F435 HydrophobicContact CG2-CZ 3.52Å; V407-W437 HydrophobicContact CB-CD2 4.29Å; V407-W437 HydrophobicContact CB-CG 4.4Å; V407-W437 HydrophobicContact CB-CZ2 4.21Å; V407-W437 HydrophobicContact CG1-CH2 4.4Å; V407-W437 HydrophobicContact CG1-CZ2 3.62Å; V407-W437 HydrophobicContact CG2-CD2 4.11Å; V407-W437 HydrophobicContact CG2-CG 4.29Å; V407-W447 HydrophobicContact CG1-CH2 4.08Å; V407-W447 HydrophobicContact CG1-CZ2 3.5Å; V407-W447 VanDerWaalsContact CG1-CZ2 3.5Å; V407-F448 HydrophobicContact CG2-CD1 4.12Å; V407-F448 HydrophobicContact CG2-CD2 4.08Å; V407-F448 HydrophobicContact CG2-CE1 3.84Å; V407-F448 HydrophobicContact CG2-CE2 3.77Å; V407-F448 HydrophobicContact CG2-CG 4.23Å; V407-F448 HydrophobicContact CG2-CZ 3.65Å |
| 408 | T | 89 | Confident | 89.3 | Confident | 10 Ų | 10 | 10.2 Ų | 10.2 | 6% | 0.061 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -49.2 | -45.5 | -173.4 | 48.2 | 0 | 0 | 0 | 0 | 116.1 | T343 H354 I405 G406 F410 A411 W447 | T343-T408 HydrophobicContact CG2-CG2 3.69Å; H354-T408 HydrophobicContact CB-CG2 4.1Å; I405-T408 HydrophobicContact CD1-CG2 3.99Å; I405-T408 HydrophobicContact CG1-CG2 4.1Å; I405-T408 VanDerWaalsContact O-CG2 3.3Å; I405-T408 WeakPolarHBondContact O-CG2 3.43Å; I405-T408 PolarHBondContact O-N 3.02Å; I405-T408 VanDerWaalsContact O-N 3.16Å; I405-T408 PolarHBondContact O-OG1 2.96Å; G406-T408 VanDerWaalsContact C-N 3.29Å; T408-F410 VanDerWaalsContact C-N 3.25Å; T408-F410 PolarHBondContact O-N 3.41Å; T408-A411 VanDerWaalsContact O-CB 3.23Å; T408-A411 WeakPolarHBondContact O-CB 3.43Å; T408-A411 PolarHBondContact O-N 2.97Å; T408-W447 HydrophobicContact CG2-CH2 4.01Å; T408-W447 HydrophobicContact CG2-CZ2 4.08Å |
| 409 | P | 88.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.9 | -34.8 | 176.2 | 21.2 | -32.5 | 0 | 0 | 0 | 112.7 | T341 G406 A411 S412 I413 C531 | T341-P409 HydrophobicContact CG2-CB 3.78Å; T341-P409 HydrophobicContact CG2-CG 4.44Å; G406-P409 WeakPolarHBondContact O-CD 3.14Å; P409-A411 VanDerWaalsContact C-N 3.29Å; P409-A411 PolarHBondContact O-N 3.02Å; P409-S412 PolarHBondContact O-N 3.34Å; P409-I413 WeakPolarHBondContact O-CG1 3.33Å; P409-I413 PolarHBondContact O-N 3.25Å; P409-C531 HydrophobicContact CG-CB 3.98Å |
| 410 | F | 90.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -74.3 | -22.4 | -178.2 | -53 | -50.8 | 0 | 0 | 0 | 112.2 | L400 V401 V407 T408 I413 L414 F435 F529 C531 | L400-F410 HydrophobicContact CB-CD1 3.78Å; L400-F410 HydrophobicContact CB-CD2 4.43Å; L400-F410 HydrophobicContact CB-CE1 3.93Å; L400-F410 HydrophobicContact CB-CG 4.06Å; L400-F410 HydrophobicContact CB-CZ 4.32Å; L400-F410 HydrophobicContact CD1-CB 4.38Å; L400-F410 HydrophobicContact CD1-CD1 3.9Å; L400-F410 HydrophobicContact CD1-CG 4.35Å; L400-F410 HydrophobicContact CD2-CD1 3.81Å; L400-F410 HydrophobicContact CD2-CE1 3.75Å; L400-F410 HydrophobicContact CG-CD1 4.02Å; L400-F410 HydrophobicContact CG-CE1 4.28Å; V401-F410 VanDerWaalsContact C-CE2 3.46Å; V401-F410 VanDerWaalsContact O-CE2 3.31Å; V401-F410 WeakPolarHBondContact O-CE2 3.45Å; V407-F410 WeakPolarHBondContact O-CA 3.49Å; V407-F410 WeakPolarHBondContact O-CB 3.38Å; V407-F410 PolarHBondContact O-N 2.85Å; T408-F410 VanDerWaalsContact C-N 3.25Å; T408-F410 PolarHBondContact O-N 3.41Å; F410-I413 HydrophobicContact CD1-CD1 3.74Å; F410-I413 HydrophobicContact CE1-CD1 4.33Å; F410-I413 PolarHBondContact O-N 2.95Å; F410-L414 WeakPolarHBondContact O-CB 3.14Å; F410-L414 VanDerWaalsContact O-CG 3.26Å; F410-L414 WeakPolarHBondContact O-CG 3.35Å; F410-L414 PolarHBondContact O-N 2.91Å; F410-F435 HydrophobicContact CB-CD2 4.5Å; F410-F435 HydrophobicContact CB-CE2 4.05Å; F410-F435 HydrophobicContact CD2-CE2 4.12Å; F410-F435 HydrophobicContact CG-CE2 4.37Å; F410-F529 HydrophobicContact CE1-CB 3.89Å; F410-F529 HydrophobicContact CZ-CB 4.14Å; F410-C531 HydrophobicContact CE2-CB 4.01Å; F410-C531 HydrophobicContact CZ-CB 4.22Å |
| 411 | A | 89.2 | Confident | 87.7 | Confident | 2 Ų | 2 | 16.1 Ų | 16.1 | 2% | 0.017 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.5 | -53.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T343 V407 T408 P409 I413 L414 K415 W447 F448 L451 | T343-A411 HydrophobicContact CG2-CB 4.47Å; V407-A411 PolarHBondContact O-N 3.31Å; T408-A411 VanDerWaalsContact O-CB 3.23Å; T408-A411 WeakPolarHBondContact O-CB 3.43Å; T408-A411 PolarHBondContact O-N 2.97Å; P409-A411 VanDerWaalsContact C-N 3.29Å; P409-A411 PolarHBondContact O-N 3.02Å; A411-I413 VanDerWaalsContact C-N 3.33Å; A411-I413 PolarHBondContact O-N 2.96Å; A411-L414 PolarHBondContact O-N 3.39Å; A411-K415 WeakPolarHBondContact O-CG 3.38Å; A411-K415 PolarHBondContact O-N 2.97Å; A411-W447 HydrophobicContact CB-CH2 4.5Å; A411-F448 HydrophobicContact CB-CD2 4.28Å; A411-F448 HydrophobicContact CB-CE2 3.53Å; A411-F448 HydrophobicContact CB-CZ 4.49Å; A411-L451 HydrophobicContact CB-CD2 4.25Å |
| 412 | S | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 180 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | L342 T343 S344 P409 S416 | L342-S412 WeakPolarHBondContact O-CB 3.46Å; T343-S412 PolarHBondContact O-N 2.88Å; S344-S412 WeakPolarHBondContact O-CB 3.32Å; S344-S412 PolarHBondContact O-OG 3.13Å; P409-S412 PolarHBondContact O-N 3.34Å; S412-S416 WeakPolarHBondContact O-CB 3.3Å; S412-S416 PolarHBondContact O-N 3.47Å |
| 413 | I | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.1 | -52.6 | 177.4 | -68.9 | 161.7 | 0 | 0 | 0 | 111.2 | V321 V392 F393 L400 P409 F410 A411 K415 S416 I417 | V321-I413 HydrophobicContact CB-CG1 4Å; V321-I413 HydrophobicContact CG2-CG1 4.18Å; V392-I413 HydrophobicContact CB-CD1 4.5Å; V392-I413 HydrophobicContact CG1-CG2 3.99Å; V392-I413 HydrophobicContact CG2-CD1 3.84Å; F393-I413 HydrophobicContact CE1-CG2 4.23Å; F393-I413 HydrophobicContact CZ-CG2 4.37Å; L400-I413 HydrophobicContact CD1-CG2 4.22Å; P409-I413 WeakPolarHBondContact O-CG1 3.33Å; P409-I413 PolarHBondContact O-N 3.25Å; F410-I413 HydrophobicContact CD1-CD1 3.74Å; F410-I413 HydrophobicContact CE1-CD1 4.33Å; F410-I413 PolarHBondContact O-N 2.95Å; A411-I413 VanDerWaalsContact C-N 3.33Å; A411-I413 PolarHBondContact O-N 2.96Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.1Å; I413-S416 PolarHBondContact O-N 3.29Å; I413-I417 HydrophobicContact CG2-CD1 3.82Å; I413-I417 VanDerWaalsContact O-CG1 3.25Å; I413-I417 WeakPolarHBondContact O-CG1 3.28Å; I413-I417 PolarHBondContact O-N 2.93Å |
| 414 | L | 88.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | -176.6 | -69.7 | 177.8 | 0 | 0 | 0 | 111.8 | L400 F410 A411 I417 W418 I433 F435 F448 L452 L455 L468 | L400-L414 HydrophobicContact CD1-CD2 4.41Å; F410-L414 WeakPolarHBondContact O-CB 3.14Å; F410-L414 VanDerWaalsContact O-CG 3.26Å; F410-L414 WeakPolarHBondContact O-CG 3.35Å; F410-L414 PolarHBondContact O-N 2.91Å; A411-L414 PolarHBondContact O-N 3.39Å; L414-I417 HydrophobicContact CD2-CD1 4.5Å; L414-I417 PolarHBondContact O-N 3.18Å; L414-W418 PolarHBondContact O-N 3.46Å; L414-W418 VanDerWaalsContact O-N 3.14Å; L414-I433 HydrophobicContact CD2-CG2 4.48Å; L414-F435 HydrophobicContact CD1-CD1 4.38Å; L414-F448 HydrophobicContact CD1-CE1 4.43Å; L414-F448 HydrophobicContact CD1-CZ 4.02Å; L414-L452 HydrophobicContact CD1-CD2 4.35Å; L414-L455 HydrophobicContact CB-CD1 3.73Å; L414-L455 HydrophobicContact CD1-CD1 4.28Å; L414-L468 HydrophobicContact CD2-CD1 3.75Å; L414-L468 HydrophobicContact CD2-CD2 4.15Å |
| 415 | K | 88.9 | Confident | 85.1 | Confident | 38 Ų | 38 | 34 Ų | 34 | 17% | 0.165 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 173.7 | -72.7 | 178.8 | 165.4 | -156.6 | 0 | 112.8 | A345 E348 A411 I413 I417 W418 Y419 L451 | A345-K415 HydrophobicContact CB-CB 3.7Å; E348-K415 IonicContact OE1-NZ 3.13Å; E348-K415 PolarHBondContact OE1-NZ 3.05Å; E348-K415 IonicContact OE2-NZ 2.82Å; E348-K415 PolarHBondContact OE2-NZ 3.22Å; A411-K415 WeakPolarHBondContact O-CG 3.38Å; A411-K415 PolarHBondContact O-N 2.97Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.1Å; K415-I417 VanDerWaalsContact C-N 3.31Å; K415-I417 PolarHBondContact O-N 3.15Å; K415-W418 WeakPolarHBondContact O-CB 3.41Å; K415-W418 PolarHBondContact O-N 2.73Å; K415-Y419 WeakPolarHBondContact O-CD2 3.28Å; K415-Y419 PolarHBondContact O-N 3.5Å; K415-L451 HydrophobicContact CD-CD1 4.27Å; K415-L451 HydrophobicContact CD-CD2 4.49Å; K415-L451 HydrophobicContact CG-CD1 3.51Å; K415-L451 HydrophobicContact CG-CD2 4.01Å; K415-L451 HydrophobicContact CG-CG 4.42Å |
| 416 | S | 89.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 179.1 | 179 | 0 | 0 | 0 | 0 | 111.9 | E347 S412 I413 W418 Y419 K420 | E347-S416 PolarHBondContact OE1-OG 2.95Å; E347-S416 WeakPolarHBondContact OE2-CA 3.29Å; E347-S416 WeakPolarHBondContact OE2-CB 3.45Å; E347-S416 PolarHBondContact OE2-OG 3.39Å; S412-S416 WeakPolarHBondContact O-CB 3.3Å; S412-S416 PolarHBondContact O-N 3.47Å; I413-S416 PolarHBondContact O-N 3.29Å; S416-W418 VanDerWaalsContact C-N 3.28Å; S416-W418 PolarHBondContact O-N 2.9Å; S416-Y419 PolarHBondContact O-N 3.27Å; S416-K420 WeakPolarHBondContact O-CB 3.24Å; S416-K420 VanDerWaalsContact O-CG 3.26Å; S416-K420 WeakPolarHBondContact O-CG 3.36Å; S416-K420 PolarHBondContact O-N 3.38Å; S416-K420 WeakPolarHBondContact OG-CE 3.03Å |
| 417 | I | 84.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 172.5 | -71.8 | 167.9 | 0 | 0 | 0 | 111 | F393 I413 L414 K415 K420 F421 I433 F467 | F393-I417 HydrophobicContact CD1-CG1 4.43Å; F393-I417 HydrophobicContact CE1-CD1 3.9Å; F393-I417 HydrophobicContact CE1-CG1 3.42Å; F393-I417 VanDerWaalsContact CE1-CG1 3.42Å; F393-I417 HydrophobicContact CZ-CG1 4.02Å; I413-I417 HydrophobicContact CG2-CD1 3.82Å; I413-I417 VanDerWaalsContact O-CG1 3.25Å; I413-I417 WeakPolarHBondContact O-CG1 3.28Å; I413-I417 PolarHBondContact O-N 2.93Å; L414-I417 HydrophobicContact CD2-CD1 4.5Å; L414-I417 PolarHBondContact O-N 3.18Å; K415-I417 VanDerWaalsContact C-N 3.31Å; K415-I417 PolarHBondContact O-N 3.15Å; I417-K420 PolarHBondContact O-N 3.17Å; I417-F421 HydrophobicContact CG2-CD2 3.57Å; I417-F421 HydrophobicContact CG2-CE2 3.35Å; I417-F421 HydrophobicContact CG2-CZ 4.41Å; I417-F421 WeakPolarHBondContact O-CD2 3.49Å; I417-F421 PolarHBondContact O-N 3.35Å; I417-I433 HydrophobicContact CD1-CD1 3.11Å; I417-F467 HydrophobicContact CD1-CE1 4.35Å; I417-F467 HydrophobicContact CD1-CZ 4.49Å; I417-F467 HydrophobicContact CG2-CD1 4.36Å; I417-F467 HydrophobicContact CG2-CE1 3.5Å; I417-F467 VanDerWaalsContact CG2-CE1 3.5Å; I417-F467 HydrophobicContact CG2-CZ 3.82Å |
| 418 | W | 82.8 | Confident | 83.1 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -50.9 | 177.9 | 168.9 | 73.4 | 0 | 0 | 0 | 111.9 | L414 K415 S416 K420 F421 Q422 L455 E458 | L414-W418 PolarHBondContact O-N 3.46Å; L414-W418 VanDerWaalsContact O-N 3.14Å; K415-W418 WeakPolarHBondContact O-CB 3.41Å; K415-W418 PolarHBondContact O-N 2.73Å; S416-W418 VanDerWaalsContact C-N 3.28Å; S416-W418 PolarHBondContact O-N 2.9Å; W418-K420 VanDerWaalsContact C-N 3.29Å; W418-K420 PolarHBondContact O-N 3.28Å; W418-F421 PolarHBondContact O-N 3.36Å; W418-F421 VanDerWaalsContact O-N 3.08Å; W418-Q422 PolarHBondContact O-N 2.79Å; W418-L455 HydrophobicContact CB-CD2 3.53Å; W418-L455 HydrophobicContact CG-CD2 3.96Å; W418-E458 WeakPolarHBondContact CZ2-OE2 3.25Å; W418-E458 VanDerWaalsContact NE1-CD 3.26Å; W418-E458 PolarHBondContact NE1-OE2 3.17Å |
| 419 | Y | 85.9 | Confident | 82.8 | Confident | 42 Ų | 42 | 54 Ų | 54 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 175.2 | -76.3 | -67.3 | 0 | 0 | 0 | 113 | A345 E347 E348 K415 S416 F421 Q422 R423 | A345-Y419 HydrophobicContact CB-CD2 3.92Å; A345-Y419 HydrophobicContact CB-CE2 3.88Å; E347-Y419 HydrophobicContact CB-CD1 4.12Å; E347-Y419 HydrophobicContact CB-CD2 3.64Å; E347-Y419 HydrophobicContact CB-CE1 4.49Å; E347-Y419 HydrophobicContact CB-CE2 4.09Å; E347-Y419 HydrophobicContact CB-CG 3.66Å; E347-Y419 HydrophobicContact CG-CD2 4.2Å; E347-Y419 HydrophobicContact CG-CG 4.03Å; E348-Y419 HydrophobicContact CG-CE2 3.84Å; E348-Y419 WeakPolarHBondContact CG-OH 3.36Å; K415-Y419 WeakPolarHBondContact O-CD2 3.28Å; K415-Y419 PolarHBondContact O-N 3.5Å; S416-Y419 PolarHBondContact O-N 3.27Å; Y419-F421 VanDerWaalsContact C-N 3.33Å; Y419-F421 PolarHBondContact O-N 3.2Å; Y419-Q422 PolarHBondContact O-N 3.34Å; Y419-R423 WeakPolarHBondContact O-CB 3.26Å; Y419-R423 WeakPolarHBondContact O-CG 3.29Å; Y419-R423 PolarHBondContact O-N 2.81Å; Y419-R423 VanDerWaalsContact O-N 3.08Å |
| 420 | K | 83.8 | Confident | 82.7 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 22% | 0.217 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -36 | 176.7 | -74.9 | 172.2 | 178.9 | -66.9 | 0 | 112.3 | S416 I417 W418 R423 A424 D425 L428 | S416-K420 WeakPolarHBondContact O-CB 3.24Å; S416-K420 VanDerWaalsContact O-CG 3.26Å; S416-K420 WeakPolarHBondContact O-CG 3.36Å; S416-K420 PolarHBondContact O-N 3.38Å; S416-K420 WeakPolarHBondContact OG-CE 3.03Å; I417-K420 PolarHBondContact O-N 3.17Å; W418-K420 VanDerWaalsContact C-N 3.29Å; W418-K420 PolarHBondContact O-N 3.28Å; K420-R423 PolarHBondContact O-N 3.12Å; K420-A424 PolarHBondContact O-N 3.28Å; K420-D425 HydrophobicContact CB-CB 4.28Å; K420-D425 IonicContact NZ-OD2 2.79Å; K420-D425 PolarHBondContact O-N 3.17Å; K420-L428 HydrophobicContact CD-CD1 4.26Å |
| 421 | F | 79.1 | Confident | 82.5 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 174.3 | -81.6 | -48.6 | 0 | 0 | 0 | 112.8 | I417 W418 Y419 R423 A424 L428 L462 K464 F467 | I417-F421 HydrophobicContact CG2-CD2 3.57Å; I417-F421 HydrophobicContact CG2-CE2 3.35Å; I417-F421 HydrophobicContact CG2-CZ 4.41Å; I417-F421 WeakPolarHBondContact O-CD2 3.49Å; I417-F421 PolarHBondContact O-N 3.35Å; W418-F421 PolarHBondContact O-N 3.36Å; W418-F421 VanDerWaalsContact O-N 3.08Å; Y419-F421 VanDerWaalsContact C-N 3.33Å; Y419-F421 PolarHBondContact O-N 3.2Å; F421-R423 PolarHBondContact O-N 3.21Å; F421-A424 PolarHBondContact O-N 3.21Å; F421-A424 VanDerWaalsContact O-N 3.08Å; F421-L428 HydrophobicContact CE1-CD2 4.09Å; F421-L428 HydrophobicContact CE2-CD2 4.42Å; F421-L428 HydrophobicContact CZ-CD2 3.87Å; F421-L462 HydrophobicContact CB-CD1 4.27Å; F421-K464 HydrophobicContact CD1-CD 3.97Å; F421-K464 HydrophobicContact CE1-CD 3.88Å; F421-K464 HydrophobicContact CG-CD 4.41Å; F421-K464 HydrophobicContact CZ-CD 4.24Å; F421-F467 AromaticContact CE2-CD1 3.66Å; F421-F467 HydrophobicContact CE2-CD1 3.66Å; F421-F467 AromaticContact CE2-CD2 3.82Å; F421-F467 HydrophobicContact CE2-CD2 3.82Å; F421-F467 AromaticContact CE2-CE1 3.64Å; F421-F467 HydrophobicContact CE2-CE1 3.64Å; F421-F467 AromaticContact CE2-CE2 3.78Å; F421-F467 HydrophobicContact CE2-CE2 3.78Å; F421-F467 AromaticContact CE2-CG 3.75Å; F421-F467 HydrophobicContact CE2-CG 3.75Å; F421-F467 AromaticContact CE2-CZ 3.67Å; F421-F467 HydrophobicContact CE2-CZ 3.67Å; F421-F467 HydrophobicContact CZ-CD1 4.14Å; F421-F467 AromaticContact CZ-CD2 3.41Å; F421-F467 HydrophobicContact CZ-CD2 3.41Å; F421-F467 VanDerWaalsContact CZ-CD2 3.41Å; F421-F467 HydrophobicContact CZ-CE1 4.14Å; F421-F467 AromaticContact CZ-CE2 3.37Å; F421-F467 HydrophobicContact CZ-CE2 3.37Å; F421-F467 AromaticContact CZ-CG 3.8Å; F421-F467 HydrophobicContact CZ-CG 3.8Å; F421-F467 AromaticContact CZ-CZ 3.74Å; F421-F467 HydrophobicContact CZ-CZ 3.74Å |
| 422 | Q | 79.8 | Confident | 82.6 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.6 | -34.3 | 176.7 | -163.5 | -177.3 | 34.5 | 0 | 0 | 111.7 | W418 Y419 | W418-Q422 PolarHBondContact O-N 2.79Å; Y419-Q422 PolarHBondContact O-N 3.34Å |
| 423 | R | 83.4 | Confident | 82.7 | Confident | 168 Ų | 168 | 61.7 Ų | 61.7 | 63% | 0.634 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2.4 | 178.5 | -66.7 | 177.8 | -179.7 | 178.7 | 2.1 | 114.8 | Y419 K420 F421 D425 | Y419-R423 WeakPolarHBondContact O-CB 3.26Å; Y419-R423 WeakPolarHBondContact O-CG 3.29Å; Y419-R423 PolarHBondContact O-N 2.81Å; Y419-R423 VanDerWaalsContact O-N 3.08Å; K420-R423 PolarHBondContact O-N 3.12Å; F421-R423 PolarHBondContact O-N 3.21Å; R423-D425 VanDerWaalsContact C-N 3.29Å; R423-D425 PolarHBondContact O-N 3.47Å |
| 424 | A | 74.3 | Confident | 82.9 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 45.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K420 F421 N426 | K420-A424 PolarHBondContact O-N 3.28Å; F421-A424 PolarHBondContact O-N 3.21Å; F421-A424 VanDerWaalsContact O-N 3.08Å; A424-N426 PolarHBondContact O-N 2.89Å |
| 425 | D | 72.7 | Confident | 83.1 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | trans | -69.8 | 101.9 | 180 | -171.9 | -0.2 | 0 | 0 | 0 | 111.3 | K420 R423 K427 L428 | K420-D425 HydrophobicContact CB-CB 4.28Å; K420-D425 IonicContact NZ-OD2 2.79Å; K420-D425 PolarHBondContact O-N 3.17Å; R423-D425 VanDerWaalsContact C-N 3.29Å; R423-D425 PolarHBondContact O-N 3.47Å; D425-K427 PolarHBondContact O-N 3Å; D425-K427 WeakPolarHBondContact OD1-CB 3.38Å; D425-K427 PolarHBondContact OD1-N 3.44Å; D425-K427 VanDerWaalsContact OD1-N 3.09Å; D425-L428 PolarHBondContact O-N 2.9Å | ||
| 426 | N | 66.7 | Low | 83.4 | Confident | 161 Ų | 161 | 60.5 Ų | 60.5 | 86% | 0.861 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -3 | 179.4 | -70.6 | -25.7 | 0 | 0 | 0 | 114.1 | A424 | A424-N426 PolarHBondContact O-N 2.89Š|
| 427 | K | 71.7 | Confident | 83.5 | Confident | 188 Ų | 188 | 60.4 Ų | 60.4 | 82% | 0.817 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -6.7 | 179.2 | -61.7 | 179.9 | -179.1 | 176.5 | 0 | 113.9 | D425 K429 | D425-K427 PolarHBondContact O-N 3Å; D425-K427 WeakPolarHBondContact OD1-CB 3.38Å; D425-K427 PolarHBondContact OD1-N 3.44Å; D425-K427 VanDerWaalsContact OD1-N 3.09Å; K427-K429 PolarHBondContact O-N 3.16Å |
| 428 | L | 76.2 | Confident | 83.9 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | trans | -71.5 | 110.9 | -179.4 | -169.1 | 74.1 | 0 | 0 | 0 | 110.6 | F393 K420 F421 D425 T430 F467 | F393-L428 HydrophobicContact CB-CD1 4.45Å; F393-L428 HydrophobicContact CD1-CD1 3.71Å; F393-L428 HydrophobicContact CE1-CD1 4.27Å; F393-L428 HydrophobicContact CG-CD1 4.21Å; K420-L428 HydrophobicContact CD-CD1 4.26Å; F421-L428 HydrophobicContact CE1-CD2 4.09Å; F421-L428 HydrophobicContact CE2-CD2 4.42Å; F421-L428 HydrophobicContact CZ-CD2 3.87Å; D425-L428 PolarHBondContact O-N 2.9Å; L428-T430 WeakPolarHBondContact CD2-O 3.22Å; L428-F467 HydrophobicContact CD2-CE2 4.46Å; L428-F467 HydrophobicContact CD2-CZ 4.42Å | ||
| 429 | K | 82.8 | Confident | 84.2 | Confident | 109 Ų | 109 | 59 Ų | 59 | 47% | 0.474 | 28% | 0.281 | S | S | . | . | trans | -77.4 | -27 | 175.8 | -176.2 | 170.1 | 176.2 | 172.4 | 0 | 112.8 | Q394 K427 Q431 | Q394-K429 WeakPolarHBondContact O-CD 3.38Å; K427-K429 PolarHBondContact O-N 3.16Å; K429-Q431 PolarHBondContact O-N 2.62Å | ||
| 430 | T | 86.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | trans | -71.5 | 125.3 | -180 | -51.5 | 0 | 0 | 0 | 0 | 110.7 | V392 F393 Y395 A398 L428 I433 F467 | V392-T430 PolarHBondContact O-OG1 2.9Å; F393-T430 WeakPolarHBondContact CA-OG1 3.34Å; Y395-T430 WeakPolarHBondContact O-CA 3.24Å; Y395-T430 WeakPolarHBondContact O-CB 3.43Å; Y395-T430 PolarHBondContact O-OG1 3.39Å; A398-T430 HydrophobicContact CB-CG2 4.34Å; L428-T430 WeakPolarHBondContact CD2-O 3.22Å; T430-I433 HydrophobicContact CG2-CD1 4.19Å; T430-I433 HydrophobicContact CG2-CG1 3.86Å; T430-F467 HydrophobicContact CG2-CZ 4.37Å; T430-F467 WeakPolarHBondContact O-CE2 3.14Å | ||
| 431 | Q | 85.7 | Confident | 84.2 | Confident | 128 Ų | 128 | 67.2 Ų | 67.2 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | trans | -112.8 | -23.2 | -177.5 | -61.6 | -178.7 | 6.9 | 0 | 0 | 112.9 | E396 K429 F467 | E396-Q431 HydrophobicContact CG-CG 4.31Å; E396-Q431 PolarHBondContact O-N 3.2Å; K429-Q431 PolarHBondContact O-N 2.62Å; Q431-F467 WeakPolarHBondContact O-CD2 3.34Å; Q431-F467 WeakPolarHBondContact O-CE2 3.49Å | ||
| 432 | K | 91.1 | Very high | 84.2 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 15% | 0.148 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 136 | -178.1 | -170.4 | 73.4 | 170.1 | -162.5 | 0 | 111.1 | E396 V397 A398 Y434 D466 | E396-K432 PolarHBondContact O-N 3.44Å; V397-K432 WeakPolarHBondContact CA-O 3.33Å; V397-K432 HydrophobicContact CG1-CB 4.4Å; V397-K432 HydrophobicContact CG2-CB 4.37Å; A398-K432 PolarHBondContact N-O 3.08Å; K432-Y434 HydrophobicContact CG-CD2 4.35Å; K432-Y434 HydrophobicContact CG-CE2 3.71Å; K432-D466 WeakPolarHBondContact CD-O 3.48Å; K432-D466 WeakPolarHBondContact CE-O 3.36Å; K432-D466 PolarHBondContact NZ-O 2.71Å; K432-D466 IonicContact NZ-OD1 3.51Å |
| 433 | I | 92.3 | Very high | 84 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | 174.6 | -60.5 | -167.3 | 0 | 0 | 0 | 110.7 | A398 L400 L414 I417 T430 F435 F467 L468 N469 | A398-I433 HydrophobicContact CB-CG1 4.33Å; A398-I433 CarbonylContact O-C 3.41Å; A398-I433 WeakPolarHBondContact O-CA 3.49Å; L400-I433 HydrophobicContact CD1-CG2 3.73Å; L400-I433 HydrophobicContact CG-CG2 3.96Å; L414-I433 HydrophobicContact CD2-CG2 4.48Å; I417-I433 HydrophobicContact CD1-CD1 3.11Å; T430-I433 HydrophobicContact CG2-CD1 4.19Å; T430-I433 HydrophobicContact CG2-CG1 3.86Å; I433-F435 HydrophobicContact CG2-CB 4.45Å; I433-F467 HydrophobicContact CB-CE1 4.45Å; I433-F467 HydrophobicContact CD1-CE1 3.83Å; I433-F467 HydrophobicContact CD1-CZ 3.98Å; I433-F467 HydrophobicContact CG1-CE1 3.87Å; I433-F467 HydrophobicContact CG1-CZ 3.93Å; I433-F467 PolarHBondContact N-O 3.08Å; I433-L468 HydrophobicContact CB-CD1 3.96Å; I433-L468 HydrophobicContact CG2-CD1 3.69Å; I433-N469 PolarHBondContact O-N 3.41Å |
| 434 | Y | 94.3 | Very high | 83.7 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110.3 | 166.9 | -62.2 | -85.6 | 0 | 0 | 0 | 108.8 | V397 A398 V399 L400 K432 N469 I517 H521 | V397-Y434 HydrophobicContact CG1-CD2 3.87Å; V397-Y434 HydrophobicContact CG1-CE2 3.72Å; A398-Y434 PolarHBondContact O-N 3.43Å; V399-Y434 CarbonylContact C-O 3.58Å; V399-Y434 WeakPolarHBondContact CA-O 3.14Å; V399-Y434 HydrophobicContact CG2-CD2 4.32Å; L400-Y434 PolarHBondContact N-O 3.24Å; K432-Y434 HydrophobicContact CG-CD2 4.35Å; K432-Y434 HydrophobicContact CG-CE2 3.71Å; Y434-N469 CarbonylContact C-O 3.49Å; Y434-N469 VanDerWaalsContact CA-O 3.32Å; Y434-N469 WeakPolarHBondContact CA-O 3.33Å; Y434-N469 HydrophobicContact CD1-CB 4Å; Y434-N469 HydrophobicContact CE1-CB 4.28Å; Y434-I517 HydrophobicContact CD1-CG1 4.43Å; Y434-I517 HydrophobicContact CD2-CD1 4.15Å; Y434-I517 HydrophobicContact CD2-CG1 4.15Å; Y434-I517 HydrophobicContact CE1-CG1 4.32Å; Y434-I517 HydrophobicContact CE2-CG1 4.02Å; Y434-I517 HydrophobicContact CE2-CG2 4.3Å; Y434-I517 HydrophobicContact CG-CD1 4.14Å; Y434-I517 HydrophobicContact CG-CG1 4.35Å; Y434-H521 AromaticContact CE2-NE2 3.7Å; Y434-H521 AromaticContact CZ-NE2 3.79Å; Y434-H521 PolarHBondContact OH-NE2 3.33Å |
| 435 | F | 93.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.2 | -178.5 | 174.9 | -121.5 | 0 | 0 | 0 | 110.7 | L400 V407 F410 L414 I433 W437 F448 L452 L468 N469 Y470 R471 | L400-F435 HydrophobicContact CB-CD2 3.89Å; L400-F435 CarbonylContact O-C 3.58Å; L400-F435 WeakPolarHBondContact O-CA 3.35Å; V407-F435 HydrophobicContact CG2-CE2 4Å; V407-F435 HydrophobicContact CG2-CZ 3.52Å; F410-F435 HydrophobicContact CB-CD2 4.5Å; F410-F435 HydrophobicContact CB-CE2 4.05Å; F410-F435 HydrophobicContact CD2-CE2 4.12Å; F410-F435 HydrophobicContact CG-CE2 4.37Å; L414-F435 HydrophobicContact CD1-CD1 4.38Å; I433-F435 HydrophobicContact CG2-CB 4.45Å; F435-W437 HydrophobicContact CE1-CB 3.99Å; F435-W437 HydrophobicContact CE2-CB 4.41Å; F435-W437 HydrophobicContact CZ-CB 3.7Å; F435-W437 HydrophobicContact CZ-CG 4.14Å; F435-F448 HydrophobicContact CE1-CD1 4.39Å; F435-F448 AromaticContact CE1-CE1 3.57Å; F435-F448 HydrophobicContact CE1-CE1 3.57Å; F435-F448 HydrophobicContact CE1-CZ 4.33Å; F435-F448 AromaticContact CZ-CE1 3.67Å; F435-F448 HydrophobicContact CZ-CE1 3.67Å; F435-F448 HydrophobicContact CZ-CZ 4.12Å; F435-L452 HydrophobicContact CD1-CD2 4.23Å; F435-L452 HydrophobicContact CE1-CD1 4.33Å; F435-L452 HydrophobicContact CE1-CD2 4.17Å; F435-L468 HydrophobicContact CB-CD1 3.99Å; F435-N469 PolarHBondContact N-O 2.98Å; F435-Y470 CarbonylContact O-C 3.58Å; F435-Y470 WeakPolarHBondContact O-CA 3.36Å; F435-R471 PolarHBondContact O-N 3.01Å |
| 436 | Y | 94.3 | Very high | 84.1 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.4 | 178.9 | -64 | -95.3 | 0 | 0 | 0 | 108.8 | V399 L400 V401 G402 R471 F473 W510 E513 | V399-Y436 HydrophobicContact CG1-CD2 3.95Å; V399-Y436 HydrophobicContact CG1-CE2 3.84Å; L400-Y436 PolarHBondContact O-N 3.42Å; V401-Y436 CarbonylContact C-O 3.55Å; V401-Y436 WeakPolarHBondContact CA-O 3.39Å; V401-Y436 HydrophobicContact CG2-CD2 4.26Å; G402-Y436 PolarHBondContact N-O 3.09Å; Y436-R471 WeakPolarHBondContact CA-O 3.43Å; Y436-R471 HydrophobicContact CD1-CB 4.12Å; Y436-R471 HydrophobicContact CE1-CB 4.3Å; Y436-R471 HydrophobicContact CE1-CG 4.45Å; Y436-F473 AromaticContact CD1-CE2 3.79Å; Y436-F473 HydrophobicContact CD1-CE2 3.79Å; Y436-F473 HydrophobicContact CE1-CE2 4.38Å; Y436-W510 HydrophobicContact CD1-CH2 4.19Å; Y436-W510 AromaticContact CD1-CZ3 3.96Å; Y436-W510 HydrophobicContact CD1-CZ3 3.96Å; Y436-W510 HydrophobicContact CD2-CZ3 4.24Å; Y436-W510 HydrophobicContact CE1-CZ3 4.27Å; Y436-W510 HydrophobicContact CG-CH2 4.05Å; Y436-W510 AromaticContact CG-CZ3 3.97Å; Y436-W510 HydrophobicContact CG-CZ3 3.97Å; Y436-E513 HydrophobicContact CE1-CG 3.94Å; Y436-E513 WeakPolarHBondContact CE1-OE2 3.48Å; Y436-E513 PolarHBondContact OH-OE2 3.15Å |
| 437 | W | 92.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.4 | 176 | -168.4 | 18.5 | 0 | 0 | 0 | 111.4 | G402 G404 V407 F435 C439 A444 F445 F448 R471 L472 F473 | G402-W437 WeakPolarHBondContact O-CA 3.46Å; G404-W437 PolarHBondContact O-NE1 3.26Å; V407-W437 HydrophobicContact CB-CD2 4.29Å; V407-W437 HydrophobicContact CB-CG 4.4Å; V407-W437 HydrophobicContact CB-CZ2 4.21Å; V407-W437 HydrophobicContact CG1-CH2 4.4Å; V407-W437 HydrophobicContact CG1-CZ2 3.62Å; V407-W437 HydrophobicContact CG2-CD2 4.11Å; V407-W437 HydrophobicContact CG2-CG 4.29Å; F435-W437 HydrophobicContact CE1-CB 3.99Å; F435-W437 HydrophobicContact CE2-CB 4.41Å; F435-W437 HydrophobicContact CZ-CB 3.7Å; F435-W437 HydrophobicContact CZ-CG 4.14Å; W437-C439 PolarHBondContact NE1-SG 2.62Å; W437-A444 WeakPolarHBondContact CH2-O 3.45Å; W437-A444 WeakPolarHBondContact CZ2-O 3.35Å; W437-F445 AromaticContact CD2-CD1 3.93Å; W437-F445 HydrophobicContact CD2-CD1 3.93Å; W437-F445 AromaticContact CD2-CE1 3.78Å; W437-F445 HydrophobicContact CD2-CE1 3.78Å; W437-F445 AromaticContact CE3-CD1 3.38Å; W437-F445 HydrophobicContact CE3-CD1 3.38Å; W437-F445 AromaticContact CE3-CE1 3.62Å; W437-F445 HydrophobicContact CE3-CE1 3.62Å; W437-F445 HydrophobicContact CG-CE1 4.22Å; W437-F445 VanDerWaalsContact CH2-CA 3.47Å; W437-F445 HydrophobicContact CH2-CB 4.4Å; W437-F445 AromaticContact CH2-CD1 3.89Å; W437-F445 HydrophobicContact CH2-CD1 3.89Å; W437-F445 HydrophobicContact CH2-CG 4.46Å; W437-F445 HydrophobicContact CZ2-CD1 4.37Å; W437-F445 HydrophobicContact CZ3-CB 4.26Å; W437-F445 AromaticContact CZ3-CD1 3.33Å; W437-F445 HydrophobicContact CZ3-CD1 3.33Å; W437-F445 HydrophobicContact CZ3-CE1 4.05Å; W437-F445 HydrophobicContact CZ3-CG 4.2Å; W437-F448 HydrophobicContact CE3-CB 4.44Å; W437-F448 AromaticContact CE3-CD1 3.81Å; W437-F448 HydrophobicContact CE3-CD1 3.81Å; W437-F448 HydrophobicContact CE3-CG 4.43Å; W437-F448 HydrophobicContact CH2-CB 3.3Å; W437-F448 HydrophobicContact CH2-CD1 4.19Å; W437-F448 AromaticContact CH2-CG 3.98Å; W437-F448 HydrophobicContact CH2-CG 3.98Å; W437-F448 HydrophobicContact CZ2-CB 4.32Å; W437-F448 HydrophobicContact CZ3-CB 3.4Å; W437-F448 VanDerWaalsContact CZ3-CB 3.4Å; W437-F448 AromaticContact CZ3-CD1 3.55Å; W437-F448 HydrophobicContact CZ3-CD1 3.55Å; W437-F448 AromaticContact CZ3-CG 3.81Å; W437-F448 HydrophobicContact CZ3-CG 3.81Å; W437-R471 PolarHBondContact N-O 2.78Å; W437-L472 HydrophobicContact CB-CD2 3.85Å; W437-L472 HydrophobicContact CE3-CD2 3.9Å; W437-F473 PolarHBondContact O-N 3.17Å |
| 438 | I | 92.6 | Very high | 84.7 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 114.2 | -172.3 | -51.1 | 165 | 0 | 0 | 0 | 108.8 | V401 G402 A403 G404 F473 T475 P508 W510 L536 | V401-I438 HydrophobicContact CG1-CD1 4.11Å; G402-I438 PolarHBondContact O-N 3.16Å; A403-I438 CarbonylContact C-O 3.54Å; A403-I438 VanDerWaalsContact CA-O 3.31Å; A403-I438 WeakPolarHBondContact CA-O 3.15Å; G404-I438 PolarHBondContact N-O 3.09Å; I438-F473 WeakPolarHBondContact CA-O 3.37Å; I438-F473 HydrophobicContact CB-CB 4.42Å; I438-F473 HydrophobicContact CG1-CB 4.13Å; I438-F473 HydrophobicContact CG2-CB 4.29Å; I438-T475 HydrophobicContact CG2-CG2 3.65Å; I438-P508 HydrophobicContact CD1-CG 3.82Å; I438-P508 HydrophobicContact CG1-CG 4.07Å; I438-W510 HydrophobicContact CD1-CH2 4.17Å; I438-W510 HydrophobicContact CD1-CZ2 3.71Å; I438-L536 HydrophobicContact CD1-CD2 3.87Å |
| 439 | C | 89.2 | Confident | 84.8 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 154.7 | -179.9 | -75.1 | 0 | 0 | 0 | 0 | 111.6 | W437 A444 F445 F473 T475 | W437-C439 PolarHBondContact NE1-SG 2.62Å; C439-A444 HydrophobicContact CB-CB 4.2Å; C439-F445 HydrophobicContact CB-CD2 4.42Å; C439-F445 HydrophobicContact CB-CE1 4.2Å; C439-F445 HydrophobicContact CB-CE2 3.7Å; C439-F445 HydrophobicContact CB-CZ 3.57Å; C439-F473 PolarHBondContact N-O 3.48Å; C439-T475 PolarHBondContact O-N 3Å; C439-T475 PolarHBondContact O-OG1 3.23Å |
| 440 | R | 86.8 | Confident | 84.6 | Confident | 181 Ų | 181 | 36.1 Ų | 36.1 | 68% | 0.683 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -91 | -35.3 | 170.4 | -74.1 | -179.7 | 64.8 | 86 | -1.1 | 111.8 | L474 T475 G476 | R440-L474 WeakPolarHBondContact O-CD1 3.28Å; R440-T475 WeakPolarHBondContact CG-OG1 3.45Å; R440-G476 CarbonylContact O-C 3.44Å; R440-G476 WeakPolarHBondContact O-CA 3.2Å; R440-G476 PolarHBondContact O-N 2.99Å; R440-G476 VanDerWaalsContact O-O 3.04Å |
| 441 | E | 82.8 | Confident | 84.4 | Confident | 85 Ų | 85 | 37.4 Ų | 37.4 | 40% | 0.397 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -106.8 | 142.6 | -175.7 | -67.4 | 158.7 | -135.7 | 0 | 0 | 110.1 | S305 R356 A444 | S305-E441 PolarHBondContact OG-OE2 2.6Å; R356-E441 IonicContact NH2-OE1 2.83Å; R356-E441 PolarHBondContact NH2-OE1 3.03Å; R356-E441 IonicContact NH2-OE2 2.78Å; R356-E441 PolarHBondContact NH2-OE2 3.11Å; E441-A444 WeakPolarHBondContact O-CB 3.49Å; E441-A444 PolarHBondContact O-N 2.98Å |
| 442 | T | 78.3 | Confident | 84.3 | Confident | 65 Ų | 65 | 31.3 Ų | 31.3 | 40% | 0.399 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -66.7 | -40.7 | 175.6 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | A444 F445 L474 | T442-A444 PolarHBondContact O-N 2.79Å; T442-A444 VanDerWaalsContact O-N 3.11Å; T442-F445 WeakPolarHBondContact O-CD2 3.2Å; T442-F445 PolarHBondContact O-N 3.29Å; T442-F445 VanDerWaalsContact O-N 3.09Å; T442-L474 HydrophobicContact CG2-CD1 4.09Å; T442-L474 HydrophobicContact CG2-CD2 3.63Å |
| 443 | G | 75.2 | Confident | 83.9 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -60.3 | -22.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F445 A446 | G443-F445 PolarHBondContact O-N 3.36Å; G443-A446 WeakPolarHBondContact O-CB 3.19Å; G443-A446 PolarHBondContact O-N 3.47Å |
| 444 | A | 76.8 | Confident | 83.5 | Confident | 16 Ų | 16 | 36 Ų | 36 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -64.7 | -25.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | W437 C439 E441 T442 A446 | W437-A444 WeakPolarHBondContact CH2-O 3.45Å; W437-A444 WeakPolarHBondContact CZ2-O 3.35Å; C439-A444 HydrophobicContact CB-CB 4.2Å; E441-A444 WeakPolarHBondContact O-CB 3.49Å; E441-A444 PolarHBondContact O-N 2.98Å; T442-A444 PolarHBondContact O-N 2.79Å; T442-A444 VanDerWaalsContact O-N 3.11Å; A444-A446 VanDerWaalsContact C-N 3.34Å |
| 445 | F | 78.5 | Confident | 82.9 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.022 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -72.8 | -26.2 | 178.3 | -68.1 | -71.9 | 0 | 0 | 0 | 112.7 | W437 C439 T442 G443 W447 F448 N449 L472 L474 T497 | W437-F445 AromaticContact CD2-CD1 3.93Å; W437-F445 HydrophobicContact CD2-CD1 3.93Å; W437-F445 AromaticContact CD2-CE1 3.78Å; W437-F445 HydrophobicContact CD2-CE1 3.78Å; W437-F445 AromaticContact CE3-CD1 3.38Å; W437-F445 HydrophobicContact CE3-CD1 3.38Å; W437-F445 AromaticContact CE3-CE1 3.62Å; W437-F445 HydrophobicContact CE3-CE1 3.62Å; W437-F445 HydrophobicContact CG-CE1 4.22Å; W437-F445 VanDerWaalsContact CH2-CA 3.47Å; W437-F445 HydrophobicContact CH2-CB 4.4Å; W437-F445 AromaticContact CH2-CD1 3.89Å; W437-F445 HydrophobicContact CH2-CD1 3.89Å; W437-F445 HydrophobicContact CH2-CG 4.46Å; W437-F445 HydrophobicContact CZ2-CD1 4.37Å; W437-F445 HydrophobicContact CZ3-CB 4.26Å; W437-F445 AromaticContact CZ3-CD1 3.33Å; W437-F445 HydrophobicContact CZ3-CD1 3.33Å; W437-F445 HydrophobicContact CZ3-CE1 4.05Å; W437-F445 HydrophobicContact CZ3-CG 4.2Å; C439-F445 HydrophobicContact CB-CD2 4.42Å; C439-F445 HydrophobicContact CB-CE1 4.2Å; C439-F445 HydrophobicContact CB-CE2 3.7Å; C439-F445 HydrophobicContact CB-CZ 3.57Å; T442-F445 WeakPolarHBondContact O-CD2 3.2Å; T442-F445 PolarHBondContact O-N 3.29Å; T442-F445 VanDerWaalsContact O-N 3.09Å; G443-F445 PolarHBondContact O-N 3.36Å; F445-W447 PolarHBondContact O-N 3.06Å; F445-F448 PolarHBondContact O-N 2.95Å; F445-N449 PolarHBondContact O-N 3.28Å; F445-N449 PolarHBondContact O-ND2 3.03Å; F445-N449 PolarHBondContact O-OD1 3.24Å; F445-L472 HydrophobicContact CD1-CD1 4.15Å; F445-L472 HydrophobicContact CD1-CD2 4.33Å; F445-L472 HydrophobicContact CE1-CB 3.96Å; F445-L472 HydrophobicContact CE1-CD1 4.27Å; F445-L472 HydrophobicContact CE1-CD2 4.01Å; F445-L472 HydrophobicContact CE1-CG 4.3Å; F445-L472 HydrophobicContact CZ-CB 4.31Å; F445-L474 HydrophobicContact CE2-CD1 4.13Å; F445-T497 HydrophobicContact CB-CG2 4.05Å; F445-T497 HydrophobicContact CG-CG2 4.16Å |
| 446 | A | 76.9 | Confident | 82.3 | Confident | 38 Ų | 38 | 36.6 Ų | 36.6 | 31% | 0.314 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.2 | -46.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P304 G443 A444 F448 | P304-A446 HydrophobicContact CB-CB 4.16Å; P304-A446 HydrophobicContact CG-CB 3.78Å; G443-A446 WeakPolarHBondContact O-CB 3.19Å; G443-A446 PolarHBondContact O-N 3.47Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A446-F448 VanDerWaalsContact C-N 3.33Å; A446-F448 PolarHBondContact O-N 3.27Å |
| 447 | W | 75.1 | Confident | 81.7 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 10% | 0.095 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73 | -25.7 | -174.9 | 74.2 | -91.9 | 0 | 0 | 0 | 113.6 | H303 T343 H354 I405 V407 T408 A411 F445 | H303-W447 HydrophobicContact CB-CB 3.88Å; H303-W447 VanDerWaalsContact CG-CB 3.47Å; H303-W447 VanDerWaalsContact ND1-CB 3.35Å; H303-W447 WeakPolarHBondContact ND1-CB 3.47Å; T343-W447 HydrophobicContact CG2-CH2 4.4Å; H354-W447 AromaticContact CD2-CD2 3.69Å; H354-W447 AromaticContact CD2-CE3 3.36Å; H354-W447 AromaticContact CD2-CZ3 3.6Å; H354-W447 AromaticContact CE1-CE3 3.95Å; H354-W447 AromaticContact CE1-CZ3 3.75Å; H354-W447 AromaticContact CG-CZ3 3.89Å; H354-W447 AromaticContact ND1-CZ3 3.98Å; H354-W447 AromaticContact NE2-CE3 3.25Å; H354-W447 AromaticContact NE2-CZ3 3.52Å; I405-W447 HydrophobicContact CD1-CZ2 4.38Å; V407-W447 HydrophobicContact CG1-CH2 4.08Å; V407-W447 HydrophobicContact CG1-CZ2 3.5Å; V407-W447 VanDerWaalsContact CG1-CZ2 3.5Å; T408-W447 HydrophobicContact CG2-CH2 4.01Å; T408-W447 HydrophobicContact CG2-CZ2 4.08Å; A411-W447 HydrophobicContact CB-CH2 4.5Å; F445-W447 PolarHBondContact O-N 3.06Å |
| 448 | F | 77.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -97.3 | -19.1 | -177.1 | -163.1 | -102.1 | 0 | 0 | 0 | 112.6 | V407 A411 L414 F435 W437 F445 A446 T450 L451 L452 | V407-F448 HydrophobicContact CG2-CD1 4.12Å; V407-F448 HydrophobicContact CG2-CD2 4.08Å; V407-F448 HydrophobicContact CG2-CE1 3.84Å; V407-F448 HydrophobicContact CG2-CE2 3.77Å; V407-F448 HydrophobicContact CG2-CG 4.23Å; V407-F448 HydrophobicContact CG2-CZ 3.65Å; A411-F448 HydrophobicContact CB-CD2 4.28Å; A411-F448 HydrophobicContact CB-CE2 3.53Å; A411-F448 HydrophobicContact CB-CZ 4.49Å; L414-F448 HydrophobicContact CD1-CE1 4.43Å; L414-F448 HydrophobicContact CD1-CZ 4.02Å; F435-F448 HydrophobicContact CE1-CD1 4.39Å; F435-F448 AromaticContact CE1-CE1 3.57Å; F435-F448 HydrophobicContact CE1-CE1 3.57Å; F435-F448 HydrophobicContact CE1-CZ 4.33Å; F435-F448 AromaticContact CZ-CE1 3.67Å; F435-F448 HydrophobicContact CZ-CE1 3.67Å; F435-F448 HydrophobicContact CZ-CZ 4.12Å; W437-F448 HydrophobicContact CE3-CB 4.44Å; W437-F448 AromaticContact CE3-CD1 3.81Å; W437-F448 HydrophobicContact CE3-CD1 3.81Å; W437-F448 HydrophobicContact CE3-CG 4.43Å; W437-F448 HydrophobicContact CH2-CB 3.3Å; W437-F448 HydrophobicContact CH2-CD1 4.19Å; W437-F448 AromaticContact CH2-CG 3.98Å; W437-F448 HydrophobicContact CH2-CG 3.98Å; W437-F448 HydrophobicContact CZ2-CB 4.32Å; W437-F448 HydrophobicContact CZ3-CB 3.4Å; W437-F448 VanDerWaalsContact CZ3-CB 3.4Å; W437-F448 AromaticContact CZ3-CD1 3.55Å; W437-F448 HydrophobicContact CZ3-CD1 3.55Å; W437-F448 AromaticContact CZ3-CG 3.81Å; W437-F448 HydrophobicContact CZ3-CG 3.81Å; F445-F448 PolarHBondContact O-N 2.95Å; A446-F448 VanDerWaalsContact C-N 3.33Å; A446-F448 PolarHBondContact O-N 3.27Å; F448-T450 VanDerWaalsContact C-N 3.29Å; F448-T450 PolarHBondContact O-N 2.72Å; F448-L451 HydrophobicContact CD2-CD2 4.14Å; F448-L451 HydrophobicContact CE2-CD2 3.64Å; F448-L451 HydrophobicContact CZ-CD2 4.06Å; F448-L451 WeakPolarHBondContact O-CB 3.22Å; F448-L451 PolarHBondContact O-N 3.01Å; F448-L451 VanDerWaalsContact O-N 3.16Å; F448-L452 HydrophobicContact CD1-CD1 3.66Å; F448-L452 HydrophobicContact CD1-CD2 4.32Å; F448-L452 HydrophobicContact CD1-CG 3.65Å; F448-L452 HydrophobicContact CE1-CD1 3.87Å; F448-L452 HydrophobicContact CE1-CD2 3.75Å; F448-L452 HydrophobicContact CE1-CG 3.6Å; F448-L452 PolarHBondContact O-N 3.32Å |
| 449 | N | 78.5 | Confident | 80.5 | Confident | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 177 | -74 | -9.4 | 0 | 0 | 0 | 112 | F445 L451 L452 N453 T497 | F445-N449 PolarHBondContact O-N 3.28Å; F445-N449 PolarHBondContact O-ND2 3.03Å; F445-N449 PolarHBondContact O-OD1 3.24Å; N449-L451 VanDerWaalsContact C-N 3.27Å; N449-L451 PolarHBondContact O-N 3.31Å; N449-L452 PolarHBondContact O-N 3.29Å; N449-N453 WeakPolarHBondContact O-CB 3.22Å; N449-N453 PolarHBondContact O-N 3.48Å; N449-T497 WeakPolarHBondContact ND2-CA 3.13Å; N449-T497 WeakPolarHBondContact ND2-CB 3.37Å; N449-T497 PolarHBondContact ND2-O 2.64Å |
| 450 | T | 77.7 | Confident | 80.2 | Confident | 100 Ų | 100 | 48.3 Ų | 48.3 | 61% | 0.613 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58.2 | -43.3 | 177.1 | -49.1 | 0 | 0 | 0 | 0 | 111.1 | F448 N453 S454 | F448-T450 VanDerWaalsContact C-N 3.29Å; F448-T450 PolarHBondContact O-N 2.72Å; T450-N453 PolarHBondContact O-N 3.15Å; T450-S454 PolarHBondContact O-N 3.44Å; T450-S454 PolarHBondContact O-OG 3.15Å |
| 451 | L | 82.1 | Confident | 80.1 | Confident | 30 Ų | 30 | 46.4 Ų | 46.4 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 177 | 176 | 62.5 | 0 | 0 | 0 | 111.6 | A411 K415 F448 N449 N453 S454 L455 | A411-L451 HydrophobicContact CB-CD2 4.25Å; K415-L451 HydrophobicContact CD-CD1 4.27Å; K415-L451 HydrophobicContact CD-CD2 4.49Å; K415-L451 HydrophobicContact CG-CD1 3.51Å; K415-L451 HydrophobicContact CG-CD2 4.01Å; K415-L451 HydrophobicContact CG-CG 4.42Å; F448-L451 HydrophobicContact CD2-CD2 4.14Å; F448-L451 HydrophobicContact CE2-CD2 3.64Å; F448-L451 HydrophobicContact CZ-CD2 4.06Å; F448-L451 WeakPolarHBondContact O-CB 3.22Å; F448-L451 PolarHBondContact O-N 3.01Å; F448-L451 VanDerWaalsContact O-N 3.16Å; N449-L451 VanDerWaalsContact C-N 3.27Å; N449-L451 PolarHBondContact O-N 3.31Å; L451-N453 VanDerWaalsContact C-N 3.32Å; L451-N453 PolarHBondContact O-N 2.84Å; L451-S454 PolarHBondContact O-N 3.47Å; L451-L455 HydrophobicContact CD1-CD1 3.97Å; L451-L455 HydrophobicContact CD1-CG 4.11Å; L451-L455 HydrophobicContact CG-CD1 3.87Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CB 3.48Å; L451-L455 VanDerWaalsContact O-CG 3.23Å; L451-L455 WeakPolarHBondContact O-CG 3.05Å; L451-L455 PolarHBondContact O-N 2.03Å |
| 452 | L | 83.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 178.9 | -74.6 | 176.1 | 0 | 0 | 0 | 112.3 | L414 F435 F448 N449 L455 E456 Y470 L472 L499 | L414-L452 HydrophobicContact CD1-CD2 4.35Å; F435-L452 HydrophobicContact CD1-CD2 4.23Å; F435-L452 HydrophobicContact CE1-CD1 4.33Å; F435-L452 HydrophobicContact CE1-CD2 4.17Å; F448-L452 HydrophobicContact CD1-CD1 3.66Å; F448-L452 HydrophobicContact CD1-CD2 4.32Å; F448-L452 HydrophobicContact CD1-CG 3.65Å; F448-L452 HydrophobicContact CE1-CD1 3.87Å; F448-L452 HydrophobicContact CE1-CD2 3.75Å; F448-L452 HydrophobicContact CE1-CG 3.6Å; F448-L452 PolarHBondContact O-N 3.32Å; N449-L452 PolarHBondContact O-N 3.29Å; L452-L455 PolarHBondContact O-N 3.17Å; L452-E456 WeakPolarHBondContact O-CB 3.38Å; L452-E456 PolarHBondContact O-N 3.12Å; L452-Y470 HydrophobicContact CD1-CD2 4.19Å; L452-Y470 HydrophobicContact CD1-CE2 4.32Å; L452-Y470 HydrophobicContact CD2-CG 4.4Å; L452-L472 HydrophobicContact CD1-CD2 4.25Å; L452-L499 HydrophobicContact CB-CD1 4.19Å; L452-L499 HydrophobicContact CB-CD2 4.04Å; L452-L499 HydrophobicContact CD1-CD1 3.97Å |
| 453 | N | 83.3 | Confident | 80 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 179.2 | -166.4 | 31.4 | 0 | 0 | 0 | 111.2 | N449 T450 L451 L455 E456 Q457 L499 | N449-N453 WeakPolarHBondContact O-CB 3.22Å; N449-N453 PolarHBondContact O-N 3.48Å; T450-N453 PolarHBondContact O-N 3.15Å; L451-N453 VanDerWaalsContact C-N 3.32Å; L451-N453 PolarHBondContact O-N 2.84Å; N453-L455 VanDerWaalsContact C-N 3.34Å; N453-L455 PolarHBondContact O-N 3.49Å; N453-E456 PolarHBondContact O-N 2.75Å; N453-Q457 PolarHBondContact O-N 2.87Å; N453-L499 HydrophobicContact CB-CD2 3.82Å |
| 454 | S | 82.5 | Confident | 80.2 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 174.2 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | T450 L451 E456 Q457 E458 | T450-S454 PolarHBondContact O-N 3.44Å; T450-S454 PolarHBondContact O-OG 3.15Å; L451-S454 PolarHBondContact O-N 3.47Å; S454-E456 PolarHBondContact O-N 2.89Å; S454-Q457 PolarHBondContact O-N 2.95Å; S454-E458 WeakPolarHBondContact O-CB 3.3Å; S454-E458 WeakPolarHBondContact O-CG 3.27Å; S454-E458 PolarHBondContact O-N 2.99Å |
| 455 | L | 81.8 | Confident | 80.2 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.1 | -74 | 170.1 | 0 | 0 | 0 | 112.2 | L414 W418 L451 L452 N453 M459 | L414-L455 HydrophobicContact CB-CD1 3.73Å; L414-L455 HydrophobicContact CD1-CD1 4.28Å; W418-L455 HydrophobicContact CB-CD2 3.53Å; W418-L455 HydrophobicContact CG-CD2 3.96Å; L451-L455 HydrophobicContact CD1-CD1 3.97Å; L451-L455 HydrophobicContact CD1-CG 4.11Å; L451-L455 HydrophobicContact CG-CD1 3.87Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CB 3.48Å; L451-L455 VanDerWaalsContact O-CG 3.23Å; L451-L455 WeakPolarHBondContact O-CG 3.05Å; L451-L455 PolarHBondContact O-N 2.03Å; L452-L455 PolarHBondContact O-N 3.17Å; N453-L455 VanDerWaalsContact C-N 3.34Å; N453-L455 PolarHBondContact O-N 3.49Å; L455-M459 VanDerWaalsContact O-CB 3.22Å; L455-M459 WeakPolarHBondContact O-CB 3.33Å; L455-M459 WeakPolarHBondContact O-CG 3.49Å; L455-M459 PolarHBondContact O-N 2.93Å |
| 456 | E | 81.8 | Confident | 80.4 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 179.8 | -176.6 | 168.6 | -142.1 | 0 | 0 | 111.5 | L452 N453 S454 E460 Y470 K500 | L452-E456 WeakPolarHBondContact O-CB 3.38Å; L452-E456 PolarHBondContact O-N 3.12Å; N453-E456 PolarHBondContact O-N 2.75Å; S454-E456 PolarHBondContact O-N 2.89Å; E456-E460 PolarHBondContact O-N 3.4Å; E456-E460 VanDerWaalsContact O-N 3.13Å; E456-Y470 PolarHBondContact OE2-OH 3.34Å; E456-Y470 VanDerWaalsContact OE2-OH 3.05Å; E456-K500 HydrophobicContact CG-CD 4.45Å; E456-K500 WeakPolarHBondContact OE1-CB 3.2Å; E456-K500 PolarHBondContact OE2-N 2.71Å |
| 457 | Q | 82.8 | Confident | 80.8 | Confident | 106 Ų | 106 | 57.5 Ų | 57.5 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.7 | -175.8 | 179.2 | -14.6 | 0 | 0 | 111.7 | N453 S454 M459 E460 E461 | N453-Q457 PolarHBondContact O-N 2.87Å; S454-Q457 PolarHBondContact O-N 2.95Å; Q457-M459 PolarHBondContact O-N 2.94Å; Q457-E460 VanDerWaalsContact O-CB 3.27Å; Q457-E460 WeakPolarHBondContact O-CB 3.4Å; Q457-E460 PolarHBondContact O-N 3.41Å; Q457-E461 PolarHBondContact O-N 3.37Å; Q457-E461 VanDerWaalsContact O-N 3.16Å |
| 458 | E | 79.9 | Confident | 81.5 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.9 | -31.7 | -176.3 | -68 | -165.7 | -131.2 | 0 | 0 | 112.9 | W418 S454 E460 E461 L462 | W418-E458 WeakPolarHBondContact CZ2-OE2 3.25Å; W418-E458 VanDerWaalsContact NE1-CD 3.26Å; W418-E458 PolarHBondContact NE1-OE2 3.17Å; S454-E458 WeakPolarHBondContact O-CB 3.3Å; S454-E458 WeakPolarHBondContact O-CG 3.27Å; S454-E458 PolarHBondContact O-N 2.99Å; E458-E460 VanDerWaalsContact C-N 3.25Å; E458-E460 PolarHBondContact O-N 3.25Å; E458-E461 PolarHBondContact O-N 3.42Å; E458-L462 WeakPolarHBondContact O-CG 3.43Å; E458-L462 PolarHBondContact O-N 2.88Å |
| 459 | M | 79.6 | Confident | 82.1 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -28.1 | 173.4 | -71.2 | 178.7 | 66.4 | 0 | 0 | 112.4 | L455 Q457 G463 K464 F467 L468 | L455-M459 VanDerWaalsContact O-CB 3.22Å; L455-M459 WeakPolarHBondContact O-CB 3.33Å; L455-M459 WeakPolarHBondContact O-CG 3.49Å; L455-M459 PolarHBondContact O-N 2.93Å; Q457-M459 PolarHBondContact O-N 2.94Å; M459-G463 PolarHBondContact O-N 3.33Å; M459-K464 VanDerWaalsContact CE-O 3.26Å; M459-K464 WeakPolarHBondContact CE-O 3.06Å; M459-K464 CarbonylContact O-C 3.45Å; M459-K464 PolarHBondContact O-N 3.35Å; M459-F467 HydrophobicContact CE-CB 3.48Å; M459-F467 VanDerWaalsContact CE-CB 3.48Å; M459-F467 HydrophobicContact CE-CD1 3.65Å; M459-F467 HydrophobicContact CE-CG 4Å; M459-L468 HydrophobicContact CE-CB 3.54Å; M459-L468 HydrophobicContact SD-CB 3.78Å; M459-L468 HydrophobicContact SD-CD2 4.16Å |
| 460 | E | 82.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 170.4 | -162.8 | 164.2 | -149.4 | 0 | 0 | 111.1 | E456 Q457 E458 L462 G463 M465 K500 | E456-E460 PolarHBondContact O-N 3.4Å; E456-E460 VanDerWaalsContact O-N 3.13Å; Q457-E460 VanDerWaalsContact O-CB 3.27Å; Q457-E460 WeakPolarHBondContact O-CB 3.4Å; Q457-E460 PolarHBondContact O-N 3.41Å; E458-E460 VanDerWaalsContact C-N 3.25Å; E458-E460 PolarHBondContact O-N 3.25Å; E460-L462 VanDerWaalsContact C-N 3.27Å; E460-L462 PolarHBondContact O-N 3.46Å; E460-G463 PolarHBondContact O-N 3.42Å; E460-M465 WeakPolarHBondContact CA-SD 3.34Å; E460-M465 HydrophobicContact CB-CE 4.16Å; E460-M465 HydrophobicContact CB-CG 4.26Å; E460-M465 HydrophobicContact CB-SD 3.36Å; E460-M465 WeakPolarHBondContact CB-SD 3.4Å; E460-M465 HydrophobicContact CG-CE 4Å; E460-M465 HydrophobicContact CG-CG 4.18Å; E460-M465 HydrophobicContact CG-SD 3.67Å; E460-K500 IonicContact OE1-NZ 2.63Å; E460-K500 PolarHBondContact OE1-NZ 3.2Å; E460-K500 IonicContact OE2-NZ 3.79Å; E460-K500 PolarHBondContact OE2-NZ 3.41Å |
| 461 | E | 83.4 | Confident | 83.2 | Confident | 141 Ų | 141 | 57.7 Ų | 57.7 | 66% | 0.659 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.3 | -36.5 | 177.5 | -68.3 | 174.8 | -169.8 | 0 | 0 | 112.4 | Q457 E458 G463 | Q457-E461 PolarHBondContact O-N 3.37Å; Q457-E461 VanDerWaalsContact O-N 3.16Å; E458-E461 PolarHBondContact O-N 3.42Å; E461-G463 VanDerWaalsContact C-N 3.27Å; E461-G463 PolarHBondContact O-N 2.97Å |
| 462 | L | 79.3 | Confident | 83.6 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 44% | 0.44 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0 | 176.6 | -67.1 | 173.5 | 0 | 0 | 0 | 114.1 | F421 E458 E460 K464 | F421-L462 HydrophobicContact CB-CD1 4.27Å; E458-L462 WeakPolarHBondContact O-CG 3.43Å; E458-L462 PolarHBondContact O-N 2.88Å; E460-L462 VanDerWaalsContact C-N 3.27Å; E460-L462 PolarHBondContact O-N 3.46Å; L462-K464 PolarHBondContact O-N 2.99Å |
| 463 | G | 81.3 | Confident | 84 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 69% | 0.691 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 21.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M459 E460 E461 | M459-G463 PolarHBondContact O-N 3.33Å; E460-G463 PolarHBondContact O-N 3.42Å; E461-G463 VanDerWaalsContact C-N 3.27Å; E461-G463 PolarHBondContact O-N 2.97Å |
| 464 | K | 79.6 | Confident | 84.3 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | trans | -111.8 | 36.3 | -176.4 | -70.5 | -175.8 | 179.9 | 172.9 | 0 | 112.3 | F421 M459 L462 D466 F467 | F421-K464 HydrophobicContact CD1-CD 3.97Å; F421-K464 HydrophobicContact CE1-CD 3.88Å; F421-K464 HydrophobicContact CG-CD 4.41Å; F421-K464 HydrophobicContact CZ-CD 4.24Å; M459-K464 VanDerWaalsContact CE-O 3.26Å; M459-K464 WeakPolarHBondContact CE-O 3.06Å; M459-K464 CarbonylContact O-C 3.45Å; M459-K464 PolarHBondContact O-N 3.35Å; L462-K464 PolarHBondContact O-N 2.99Å; K464-D466 PolarHBondContact O-N 3.19Å; K464-D466 VanDerWaalsContact O-N 3.11Å; K464-F467 HydrophobicContact CB-CB 4.28Å; K464-F467 WeakPolarHBondContact O-CB 3.47Å; K464-F467 PolarHBondContact O-N 3.49Å | ||
| 465 | M | 76.2 | Confident | 84.6 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 40% | 0.404 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.7 | 177.5 | -70.8 | -60.7 | -88.3 | 0 | 0 | 112.9 | E460 F467 | E460-M465 WeakPolarHBondContact CA-SD 3.34Å; E460-M465 HydrophobicContact CB-CE 4.16Å; E460-M465 HydrophobicContact CB-CG 4.26Å; E460-M465 HydrophobicContact CB-SD 3.36Å; E460-M465 WeakPolarHBondContact CB-SD 3.4Å; E460-M465 HydrophobicContact CG-CE 4Å; E460-M465 HydrophobicContact CG-CG 4.18Å; E460-M465 HydrophobicContact CG-SD 3.67Å; M465-F467 VanDerWaalsContact C-N 3.29Å; M465-F467 PolarHBondContact O-N 3.22Å |
| 466 | D | 82.8 | Confident | 84.7 | Confident | 130 Ų | 130 | 53.6 Ų | 53.6 | 70% | 0.695 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.7 | 178.1 | -83.2 | -44.1 | 0 | 0 | 0 | 114.3 | K432 K464 | K432-D466 WeakPolarHBondContact CD-O 3.48Å; K432-D466 WeakPolarHBondContact CE-O 3.36Å; K432-D466 PolarHBondContact NZ-O 2.71Å; K432-D466 IonicContact NZ-OD1 3.51Å; K464-D466 PolarHBondContact O-N 3.19Å; K464-D466 VanDerWaalsContact O-N 3.11Å |
| 467 | F | 85.7 | Confident | 84.5 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -40.5 | -176 | 175.7 | -84.1 | 0 | 0 | 0 | 113 | I417 F421 L428 T430 Q431 I433 M459 K464 M465 | I417-F467 HydrophobicContact CD1-CE1 4.35Å; I417-F467 HydrophobicContact CD1-CZ 4.49Å; I417-F467 HydrophobicContact CG2-CD1 4.36Å; I417-F467 HydrophobicContact CG2-CE1 3.5Å; I417-F467 VanDerWaalsContact CG2-CE1 3.5Å; I417-F467 HydrophobicContact CG2-CZ 3.82Å; F421-F467 AromaticContact CE2-CD1 3.66Å; F421-F467 HydrophobicContact CE2-CD1 3.66Å; F421-F467 AromaticContact CE2-CD2 3.82Å; F421-F467 HydrophobicContact CE2-CD2 3.82Å; F421-F467 AromaticContact CE2-CE1 3.64Å; F421-F467 HydrophobicContact CE2-CE1 3.64Å; F421-F467 AromaticContact CE2-CE2 3.78Å; F421-F467 HydrophobicContact CE2-CE2 3.78Å; F421-F467 AromaticContact CE2-CG 3.75Å; F421-F467 HydrophobicContact CE2-CG 3.75Å; F421-F467 AromaticContact CE2-CZ 3.67Å; F421-F467 HydrophobicContact CE2-CZ 3.67Å; F421-F467 HydrophobicContact CZ-CD1 4.14Å; F421-F467 AromaticContact CZ-CD2 3.41Å; F421-F467 HydrophobicContact CZ-CD2 3.41Å; F421-F467 VanDerWaalsContact CZ-CD2 3.41Å; F421-F467 HydrophobicContact CZ-CE1 4.14Å; F421-F467 AromaticContact CZ-CE2 3.37Å; F421-F467 HydrophobicContact CZ-CE2 3.37Å; F421-F467 AromaticContact CZ-CG 3.8Å; F421-F467 HydrophobicContact CZ-CG 3.8Å; F421-F467 AromaticContact CZ-CZ 3.74Å; F421-F467 HydrophobicContact CZ-CZ 3.74Å; L428-F467 HydrophobicContact CD2-CE2 4.46Å; L428-F467 HydrophobicContact CD2-CZ 4.42Å; T430-F467 HydrophobicContact CG2-CZ 4.37Å; T430-F467 WeakPolarHBondContact O-CE2 3.14Å; Q431-F467 WeakPolarHBondContact O-CD2 3.34Å; Q431-F467 WeakPolarHBondContact O-CE2 3.49Å; I433-F467 HydrophobicContact CB-CE1 4.45Å; I433-F467 HydrophobicContact CD1-CE1 3.83Å; I433-F467 HydrophobicContact CD1-CZ 3.98Å; I433-F467 HydrophobicContact CG1-CE1 3.87Å; I433-F467 HydrophobicContact CG1-CZ 3.93Å; I433-F467 PolarHBondContact N-O 3.08Å; M459-F467 HydrophobicContact CE-CB 3.48Å; M459-F467 VanDerWaalsContact CE-CB 3.48Å; M459-F467 HydrophobicContact CE-CD1 3.65Å; M459-F467 HydrophobicContact CE-CG 4Å; K464-F467 HydrophobicContact CB-CB 4.28Å; K464-F467 WeakPolarHBondContact O-CB 3.47Å; K464-F467 PolarHBondContact O-N 3.49Å; M465-F467 VanDerWaalsContact C-N 3.29Å; M465-F467 PolarHBondContact O-N 3.22Å |
| 468 | L | 88.6 | Confident | 84.2 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.7 | -176.7 | 177.5 | 63.3 | 0 | 0 | 0 | 110.1 | L414 I433 F435 M459 Y470 | L414-L468 HydrophobicContact CD2-CD1 3.75Å; L414-L468 HydrophobicContact CD2-CD2 4.15Å; I433-L468 HydrophobicContact CB-CD1 3.96Å; I433-L468 HydrophobicContact CG2-CD1 3.69Å; F435-L468 HydrophobicContact CB-CD1 3.99Å; M459-L468 HydrophobicContact CE-CB 3.54Å; M459-L468 HydrophobicContact SD-CB 3.78Å; M459-L468 HydrophobicContact SD-CD2 4.16Å; L468-Y470 HydrophobicContact CG-CD1 4.44Å |
| 469 | N | 89.7 | Confident | 84.1 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 109.9 | 169.1 | -170.5 | -58.1 | 0 | 0 | 0 | 108.6 | I433 Y434 F435 | I433-N469 PolarHBondContact O-N 3.41Å; Y434-N469 CarbonylContact C-O 3.49Å; Y434-N469 VanDerWaalsContact CA-O 3.32Å; Y434-N469 WeakPolarHBondContact CA-O 3.33Å; Y434-N469 HydrophobicContact CD1-CB 4Å; Y434-N469 HydrophobicContact CE1-CB 4.28Å; F435-N469 PolarHBondContact N-O 2.98Å |
| 470 | Y | 89.8 | Confident | 84 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 146.7 | 176.4 | 68.3 | -84.7 | 0 | 0 | 0 | 112.6 | F435 L452 E456 L468 L472 L499 Q501 | F435-Y470 CarbonylContact O-C 3.58Å; F435-Y470 WeakPolarHBondContact O-CA 3.36Å; L452-Y470 HydrophobicContact CD1-CD2 4.19Å; L452-Y470 HydrophobicContact CD1-CE2 4.32Å; L452-Y470 HydrophobicContact CD2-CG 4.4Å; E456-Y470 PolarHBondContact OE2-OH 3.34Å; E456-Y470 VanDerWaalsContact OE2-OH 3.05Å; L468-Y470 HydrophobicContact CG-CD1 4.44Å; Y470-L472 HydrophobicContact CD2-CD2 4.22Å; Y470-L472 HydrophobicContact CD2-CG 4.22Å; Y470-L472 HydrophobicContact CE2-CG 4.49Å; Y470-L499 HydrophobicContact CE2-CB 4.46Å; Y470-L499 HydrophobicContact CE2-CD1 3.85Å; Y470-Q501 HydrophobicContact CD2-CB 4.24Å; Y470-Q501 HydrophobicContact CE1-CB 4.44Å; Y470-Q501 HydrophobicContact CE1-CG 3.98Å; Y470-Q501 HydrophobicContact CE2-CB 3.58Å; Y470-Q501 HydrophobicContact CE2-CG 4Å |
| 471 | R | 90.9 | Very high | 83.7 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 28% | 0.275 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 123.8 | 177.7 | -66.2 | 179.2 | 171.9 | -128 | -28.9 | 109.8 | F435 Y436 W437 F473 E513 | F435-R471 PolarHBondContact O-N 3.01Å; Y436-R471 WeakPolarHBondContact CA-O 3.43Å; Y436-R471 HydrophobicContact CD1-CB 4.12Å; Y436-R471 HydrophobicContact CE1-CB 4.3Å; Y436-R471 HydrophobicContact CE1-CG 4.45Å; W437-R471 PolarHBondContact N-O 2.78Å; R471-F473 HydrophobicContact CB-CD2 4.31Å; R471-F473 HydrophobicContact CB-CE2 3.54Å; R471-F473 HydrophobicContact CB-CZ 4.29Å; R471-E513 IonicContact CZ-OE1 2.78Å; R471-E513 IonicContact CZ-OE2 3.39Å; R471-E513 IonicContact NE-OE2 2.79Å; R471-E513 IonicContact NH1-OE1 3.82Å; R471-E513 PolarHBondContact NH1-OE1 3.05Å; R471-E513 IonicContact NH1-OE2 3.49Å |
| 472 | L | 90.6 | Very high | 83.3 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134 | 179.5 | -53.8 | -175.1 | 0 | 0 | 0 | 109.8 | W437 F445 L452 Y470 T497 L499 T503 S504 | W437-L472 HydrophobicContact CB-CD2 3.85Å; W437-L472 HydrophobicContact CE3-CD2 3.9Å; F445-L472 HydrophobicContact CD1-CD1 4.15Å; F445-L472 HydrophobicContact CD1-CD2 4.33Å; F445-L472 HydrophobicContact CE1-CB 3.96Å; F445-L472 HydrophobicContact CE1-CD1 4.27Å; F445-L472 HydrophobicContact CE1-CD2 4.01Å; F445-L472 HydrophobicContact CE1-CG 4.3Å; F445-L472 HydrophobicContact CZ-CB 4.31Å; L452-L472 HydrophobicContact CD1-CD2 4.25Å; Y470-L472 HydrophobicContact CD2-CD2 4.22Å; Y470-L472 HydrophobicContact CD2-CG 4.22Å; Y470-L472 HydrophobicContact CE2-CG 4.49Å; L472-T497 HydrophobicContact CD1-CG2 3.84Å; L472-L499 HydrophobicContact CD1-CD1 3.69Å; L472-T503 HydrophobicContact CB-CG2 4.44Å; L472-S504 WeakPolarHBondContact O-CB 3.42Å; L472-S504 PolarHBondContact O-N 3.28Å |
| 473 | F | 91.3 | Very high | 83 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.2 | -178.6 | -71.3 | -93.9 | 0 | 0 | 0 | 110.8 | Y436 W437 I438 C439 R471 S504 P508 | Y436-F473 AromaticContact CD1-CE2 3.79Å; Y436-F473 HydrophobicContact CD1-CE2 3.79Å; Y436-F473 HydrophobicContact CE1-CE2 4.38Å; W437-F473 PolarHBondContact O-N 3.17Å; I438-F473 WeakPolarHBondContact CA-O 3.37Å; I438-F473 HydrophobicContact CB-CB 4.42Å; I438-F473 HydrophobicContact CG1-CB 4.13Å; I438-F473 HydrophobicContact CG2-CB 4.29Å; C439-F473 PolarHBondContact N-O 3.48Å; R471-F473 HydrophobicContact CB-CD2 4.31Å; R471-F473 HydrophobicContact CB-CE2 3.54Å; R471-F473 HydrophobicContact CB-CZ 4.29Å; F473-S504 CarbonylContact C-O 3.49Å; F473-S504 VanDerWaalsContact CA-O 3.28Å; F473-S504 WeakPolarHBondContact CA-O 3.25Å; F473-P508 HydrophobicContact CB-CG 4.46Å; F473-P508 HydrophobicContact CD1-CB 4.36Å; F473-P508 HydrophobicContact CD1-CG 3.74Å; F473-P508 HydrophobicContact CD2-CG 3.71Å; F473-P508 HydrophobicContact CE1-CB 3.92Å; F473-P508 HydrophobicContact CE1-CG 3.79Å; F473-P508 HydrophobicContact CE2-CB 4.16Å; F473-P508 HydrophobicContact CE2-CG 3.76Å; F473-P508 HydrophobicContact CG-CG 3.69Å; F473-P508 HydrophobicContact CZ-CB 3.81Å; F473-P508 HydrophobicContact CZ-CG 3.8Å |
| 474 | L | 89.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.3 | 172.5 | -174.9 | 66.4 | 0 | 0 | 0 | 109.7 | R440 T442 F445 W477 I481 L496 T503 S504 F505 G506 | R440-L474 WeakPolarHBondContact O-CD1 3.28Å; T442-L474 HydrophobicContact CG2-CD1 4.09Å; T442-L474 HydrophobicContact CG2-CD2 3.63Å; F445-L474 HydrophobicContact CE2-CD1 4.13Å; L474-W477 HydrophobicContact CD2-CB 3.94Å; L474-W477 HydrophobicContact CG-CB 4.24Å; L474-W477 VanDerWaalsContact O-CD1 3.29Å; L474-I481 HydrophobicContact CD2-CG2 4.35Å; L474-L496 HydrophobicContact CD2-CD1 4.26Å; L474-T503 HydrophobicContact CB-CG2 3.91Å; L474-S504 PolarHBondContact N-O 2.88Å; L474-F505 HydrophobicContact CB-CD1 4.45Å; L474-F505 HydrophobicContact CD2-CD1 4.34Å; L474-F505 HydrophobicContact CD2-CE1 3.96Å; L474-G506 PolarHBondContact O-N 3.5Å |
| 475 | T | 89.4 | Confident | 82.8 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 23% | 0.233 | 28% | 0.283 | C | S | . | . | trans | -104.9 | -19.1 | -175.7 | 56.4 | 0 | 0 | 0 | 0 | 114 | I438 C439 R440 G506 R507 | I438-T475 HydrophobicContact CG2-CG2 3.65Å; C439-T475 PolarHBondContact O-N 3Å; C439-T475 PolarHBondContact O-OG1 3.23Å; R440-T475 WeakPolarHBondContact CG-OG1 3.45Å; T475-G506 WeakPolarHBondContact CG2-O 3.32Å; T475-R507 HydrophobicContact CG2-CG 4.18Å | ||
| 476 | G | 83.4 | Confident | 82.8 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -109.1 | 80.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | R440 | R440-G476 CarbonylContact O-C 3.44Å; R440-G476 WeakPolarHBondContact O-CA 3.2Å; R440-G476 PolarHBondContact O-N 2.99Å; R440-G476 VanDerWaalsContact O-O 3.04Å |
| 477 | W | 78.3 | Confident | 82.5 | Confident | 103 Ų | 103 | 53 Ų | 53 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | trans | -119.3 | 148.6 | 179.5 | 59.1 | -87.4 | 0 | 0 | 0 | 110 | L474 A482 F505 | L474-W477 HydrophobicContact CD2-CB 3.94Å; L474-W477 HydrophobicContact CG-CB 4.24Å; L474-W477 VanDerWaalsContact O-CD1 3.29Å; W477-A482 HydrophobicContact CD2-CB 4.18Å; W477-A482 HydrophobicContact CE3-CB 3.3Å; W477-A482 HydrophobicContact CH2-CB 4.38Å; W477-A482 HydrophobicContact CZ3-CB 3.43Å; W477-A482 VanDerWaalsContact CZ3-CB 3.43Å; W477-F505 HydrophobicContact CB-CD1 3.75Å; W477-F505 HydrophobicContact CB-CE1 4.14Å; W477-F505 HydrophobicContact CD2-CB 4.33Å; W477-F505 HydrophobicContact CD2-CD1 4.06Å; W477-F505 HydrophobicContact CG-CB 4.4Å; W477-F505 AromaticContact CG-CD1 3.67Å; W477-F505 HydrophobicContact CG-CD1 3.67Å; W477-F505 HydrophobicContact CG-CG 4.49Å; W477-F505 HydrophobicContact CZ2-CB 4.5Å | ||
| 478 | D | 76.3 | Confident | 82.2 | Confident | 78 Ų | 78 | 54 Ų | 54 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | trans | -102.3 | 163 | 168.8 | 67.7 | 25.3 | 0 | 0 | 0 | 110.2 | N480 I481 A482 | D478-N480 PolarHBondContact O-N 3.12Å; D478-N480 VanDerWaalsContact O-N 3.12Å; D478-N480 WeakPolarHBondContact OD1-CB 2.99Å; D478-N480 PolarHBondContact OD1-N 3.27Å; D478-N480 VanDerWaalsContact OD1-N 3.11Å; D478-I481 PolarHBondContact O-N 3.34Å; D478-I481 WeakPolarHBondContact OD1-CB 3.25Å; D478-I481 WeakPolarHBondContact OD1-CD1 3.42Å; D478-I481 WeakPolarHBondContact OD1-CG1 2.98Å; D478-I481 PolarHBondContact OD1-N 3.3Å; D478-A482 PolarHBondContact O-N 3.41Å; D478-A482 VanDerWaalsContact O-N 3.15Å | ||
| 479 | N | 76.9 | Confident | 81.5 | Confident | 130 Ų | 130 | 58.8 Ų | 58.8 | 70% | 0.695 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.7 | -24 | -178.2 | -70.2 | -17 | 0 | 0 | 0 | 112.8 | G483 | N479-G483 PolarHBondContact O-N 2.89Å |
| 480 | N | 77.9 | Confident | 81 | Confident | 131 Ų | 131 | 64 Ų | 64 | 70% | 0.701 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -74.8 | -44.5 | 179.8 | -70.3 | -15.6 | 0 | 0 | 0 | 111.5 | D478 G483 H484 | D478-N480 PolarHBondContact O-N 3.12Å; D478-N480 VanDerWaalsContact O-N 3.12Å; D478-N480 WeakPolarHBondContact OD1-CB 2.99Å; D478-N480 PolarHBondContact OD1-N 3.27Å; D478-N480 VanDerWaalsContact OD1-N 3.11Å; N480-G483 PolarHBondContact O-N 3.17Å; N480-H484 WeakPolarHBondContact O-CB 3.46Å; N480-H484 PolarHBondContact O-N 3Å |
| 481 | I | 76.8 | Confident | 80.5 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 176.8 | -67.5 | 164.3 | 0 | 0 | 0 | 109.8 | L474 D478 H484 A485 L496 F505 | L474-I481 HydrophobicContact CD2-CG2 4.35Å; D478-I481 PolarHBondContact O-N 3.34Å; D478-I481 WeakPolarHBondContact OD1-CB 3.25Å; D478-I481 WeakPolarHBondContact OD1-CD1 3.42Å; D478-I481 WeakPolarHBondContact OD1-CG1 2.98Å; D478-I481 PolarHBondContact OD1-N 3.3Å; I481-H484 PolarHBondContact O-N 2.91Å; I481-A485 WeakPolarHBondContact O-CB 3.32Å; I481-A485 PolarHBondContact O-N 2.98Å; I481-L496 HydrophobicContact CG2-CD1 4.12Å; I481-L496 HydrophobicContact CG2-CD2 3.99Å; I481-F505 HydrophobicContact CG2-CE1 4.04Å; I481-F505 HydrophobicContact CG2-CZ 4.49Å |
| 482 | A | 75.2 | Confident | 79.8 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | W477 D478 A485 A486 F505 | W477-A482 HydrophobicContact CD2-CB 4.18Å; W477-A482 HydrophobicContact CE3-CB 3.3Å; W477-A482 HydrophobicContact CH2-CB 4.38Å; W477-A482 HydrophobicContact CZ3-CB 3.43Å; W477-A482 VanDerWaalsContact CZ3-CB 3.43Å; D478-A482 PolarHBondContact O-N 3.41Å; D478-A482 VanDerWaalsContact O-N 3.15Å; A482-A485 PolarHBondContact O-N 3.43Å; A482-A486 WeakPolarHBondContact O-CB 3.43Å; A482-A486 PolarHBondContact O-N 3Å; A482-F505 HydrophobicContact CB-CD1 4.2Å; A482-F505 HydrophobicContact CB-CE1 4.22Å; A482-F505 HydrophobicContact CB-CG 4.39Å; A482-F505 HydrophobicContact CB-CZ 4.47Å |
| 483 | G | 73.3 | Confident | 79.3 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N479 N480 A485 A486 L487 | N479-G483 PolarHBondContact O-N 2.89Å; N480-G483 PolarHBondContact O-N 3.17Å; G483-A485 VanDerWaalsContact C-N 3.34Å; G483-A485 PolarHBondContact O-N 3.2Å; G483-A486 PolarHBondContact O-N 3.39Å; G483-L487 WeakPolarHBondContact O-CB 3.36Å; G483-L487 VanDerWaalsContact O-CG 3.23Å; G483-L487 WeakPolarHBondContact O-CG 3.3Å; G483-L487 PolarHBondContact O-N 3.33Å |
| 484 | H | 78.3 | Confident | 78.9 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 178.2 | -167.2 | -90.9 | 0 | 0 | 0 | 112.5 | N480 I481 N488 | N480-H484 WeakPolarHBondContact O-CB 3.46Å; N480-H484 PolarHBondContact O-N 3Å; I481-H484 PolarHBondContact O-N 2.91Å; H484-N488 PolarHBondContact O-N 3Å; H484-N488 PolarHBondContact O-ND2 2.87Å |
| 485 | A | 77.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I481 A482 G483 N488 F489 F505 | I481-A485 WeakPolarHBondContact O-CB 3.32Å; I481-A485 PolarHBondContact O-N 2.98Å; A482-A485 PolarHBondContact O-N 3.43Å; G483-A485 VanDerWaalsContact C-N 3.34Å; G483-A485 PolarHBondContact O-N 3.2Å; A485-N488 CarbonylContact O-C 3.55Å; A485-N488 PolarHBondContact O-N 2.94Å; A485-F489 PolarHBondContact O-N 3.45Å; A485-F489 VanDerWaalsContact O-N 3.15Å; A485-F505 HydrophobicContact CB-CE2 3.6Å; A485-F505 HydrophobicContact CB-CZ 3.47Å; A485-F505 VanDerWaalsContact CB-CZ 3.47Å |
| 486 | A | 75.8 | Confident | 77.7 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 55% | 0.554 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A482 G483 N488 F489 | A482-A486 WeakPolarHBondContact O-CB 3.43Å; A482-A486 PolarHBondContact O-N 3Å; G483-A486 PolarHBondContact O-N 3.39Å; A486-N488 PolarHBondContact O-N 3.05Å; A486-F489 VanDerWaalsContact O-CB 3.27Å; A486-F489 WeakPolarHBondContact O-CB 3.37Å; A486-F489 PolarHBondContact O-N 2.95Å; A486-F489 VanDerWaalsContact O-N 3.11Å |
| 487 | L | 78.3 | Confident | 77.4 | Confident | 146 Ų | 146 | 77.7 Ų | 77.7 | 76% | 0.764 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.6 | -24.6 | 178 | -76.1 | 170.4 | 0 | 0 | 0 | 113.4 | G483 | G483-L487 WeakPolarHBondContact O-CB 3.36Å; G483-L487 VanDerWaalsContact O-CG 3.23Å; G483-L487 WeakPolarHBondContact O-CG 3.3Å; G483-L487 PolarHBondContact O-N 3.33Å |
| 488 | N | 77.4 | Confident | 77.5 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 20% | 0.198 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 22.1 | -179.5 | -71.3 | -84.1 | 0 | 0 | 0 | 111.6 | H484 A485 A486 D490 K491 I495 | H484-N488 PolarHBondContact O-N 3Å; H484-N488 PolarHBondContact O-ND2 2.87Å; A485-N488 CarbonylContact O-C 3.55Å; A485-N488 PolarHBondContact O-N 2.94Å; A486-N488 PolarHBondContact O-N 3.05Å; N488-D490 PolarHBondContact O-N 2.71Å; N488-D490 VanDerWaalsContact O-N 3.16Å; N488-K491 HydrophobicContact CB-CD 4.19Å; N488-K491 WeakPolarHBondContact O-CB 3.42Å; N488-K491 PolarHBondContact O-N 3.32Å; N488-K491 VanDerWaalsContact O-N 3.1Å; N488-K491 VanDerWaalsContact OD1-CE 3.31Å; N488-K491 WeakPolarHBondContact OD1-CE 3.15Å; N488-K491 PolarHBondContact OD1-NZ 3.1Å; N488-I495 HydrophobicContact CB-CD1 2.95Å; N488-I495 HydrophobicContact CB-CG1 4.28Å |
| 489 | F | 75.8 | Confident | 77.7 | Confident | 119 Ų | 119 | 71.1 Ų | 71.1 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.4 | -179.5 | -171.6 | -95.9 | 0 | 0 | 0 | 111.5 | A485 A486 K491 K502 | A485-F489 PolarHBondContact O-N 3.45Å; A485-F489 VanDerWaalsContact O-N 3.15Å; A486-F489 VanDerWaalsContact O-CB 3.27Å; A486-F489 WeakPolarHBondContact O-CB 3.37Å; A486-F489 PolarHBondContact O-N 2.95Å; A486-F489 VanDerWaalsContact O-N 3.11Å; F489-K491 PolarHBondContact O-N 2.91Å; F489-K502 VanDerWaalsContact CD1-NZ 3.3Å; F489-K502 HydrophobicContact CD2-CD 3.63Å; F489-K502 HydrophobicContact CE1-CD 4.43Å; F489-K502 HydrophobicContact CE2-CD 3.3Å; F489-K502 HydrophobicContact CG-CD 4.34Å; F489-K502 HydrophobicContact CZ-CD 3.76Å; F489-K502 WeakPolarHBondContact O-CE 3.46Å; F489-K502 PolarHBondContact O-NZ 2.9Å |
| 490 | D | 77.4 | Confident | 77.9 | Confident | 156 Ų | 156 | 69.1 Ų | 69.1 | 83% | 0.834 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8.6 | -180 | -59.9 | -32.1 | 0 | 0 | 0 | 114 | N488 | N488-D490 PolarHBondContact O-N 2.71Å; N488-D490 VanDerWaalsContact O-N 3.16Å |
| 491 | K | 79.9 | Confident | 78.2 | Confident | 107 Ų | 107 | 67 Ų | 67 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -68.4 | 145.2 | 173 | -68.9 | -176.3 | 176.2 | 162.7 | 0 | 110.9 | N488 F489 T493 I495 | N488-K491 HydrophobicContact CB-CD 4.19Å; N488-K491 WeakPolarHBondContact O-CB 3.42Å; N488-K491 PolarHBondContact O-N 3.32Å; N488-K491 VanDerWaalsContact O-N 3.1Å; N488-K491 VanDerWaalsContact OD1-CE 3.31Å; N488-K491 WeakPolarHBondContact OD1-CE 3.15Å; N488-K491 PolarHBondContact OD1-NZ 3.1Å; F489-K491 PolarHBondContact O-N 2.91Å; K491-T493 VanDerWaalsContact C-N 3.27Å; K491-T493 PolarHBondContact O-N 3.4Å; K491-I495 HydrophobicContact CD-CD1 4.31Å; K491-I495 HydrophobicContact CD-CG1 4.36Å |
| 492 | T | 76.2 | Confident | 78.6 | Confident | 125 Ų | 125 | 67.9 Ų | 67.9 | 77% | 0.767 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -69.5 | -25.6 | -179.6 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 493 | T | 81 | Confident | 79.1 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -115.5 | 147.8 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | K491 L499 | K491-T493 VanDerWaalsContact C-N 3.27Å; K491-T493 PolarHBondContact O-N 3.4Å; T493-L499 CarbonylContact C-O 3.58Å; T493-L499 WeakPolarHBondContact CA-O 3.38Å |
| 494 | D | 81.4 | Confident | 79.9 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | trans | -66.9 | 129.2 | 174 | -173.4 | 62.3 | 0 | 0 | 0 | 110.4 | L496 T497 G498 L499 T503 | D494-L496 VanDerWaalsContact C-N 3.29Å; D494-L496 PolarHBondContact O-N 3.1Å; D494-L496 PolarHBondContact OD2-N 2.65Å; D494-T497 WeakPolarHBondContact CB-OG1 3.32Å; D494-T497 WeakPolarHBondContact OD2-CB 3.12Å; D494-T497 WeakPolarHBondContact OD2-CG2 3.39Å; D494-T497 PolarHBondContact OD2-N 2.72Å; D494-T497 PolarHBondContact OD2-OG1 2.66Å; D494-G498 WeakPolarHBondContact O-CA 3.39Å; D494-G498 PolarHBondContact O-N 2.99Å; D494-L499 WeakPolarHBondContact CB-O 3.35Å; D494-L499 PolarHBondContact N-O 3.34Å; D494-T503 PolarHBondContact OD1-N 3.17Å; D494-T503 PolarHBondContact OD2-OG1 2.89Å | ||
| 495 | I | 78.1 | Confident | 80.3 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -28 | -177.1 | -69.7 | 158.1 | 0 | 0 | 0 | 112.7 | N488 K491 | N488-I495 HydrophobicContact CB-CD1 2.95Å; N488-I495 HydrophobicContact CB-CG1 4.28Å; K491-I495 HydrophobicContact CD-CD1 4.31Å; K491-I495 HydrophobicContact CD-CG1 4.36Å |
| 496 | L | 76.7 | Confident | 80.9 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -38.9 | -177.7 | -61.4 | 177.2 | 0 | 0 | 0 | 111.3 | L474 I481 D494 T503 F505 | L474-L496 HydrophobicContact CD2-CD1 4.26Å; I481-L496 HydrophobicContact CG2-CD1 4.12Å; I481-L496 HydrophobicContact CG2-CD2 3.99Å; D494-L496 VanDerWaalsContact C-N 3.29Å; D494-L496 PolarHBondContact O-N 3.1Å; D494-L496 PolarHBondContact OD2-N 2.65Å; L496-T503 HydrophobicContact CD1-CG2 4.36Å; L496-F505 HydrophobicContact CD1-CE1 4.1Å; L496-F505 HydrophobicContact CD1-CZ 3.82Å |
| 497 | T | 77.6 | Confident | 81.5 | Confident | 15 Ų | 15 | 74 Ų | 74 | 9% | 0.092 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -19 | -170.7 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | F445 N449 L472 D494 L499 | F445-T497 HydrophobicContact CB-CG2 4.05Å; F445-T497 HydrophobicContact CG-CG2 4.16Å; N449-T497 WeakPolarHBondContact ND2-CA 3.13Å; N449-T497 WeakPolarHBondContact ND2-CB 3.37Å; N449-T497 PolarHBondContact ND2-O 2.64Å; L472-T497 HydrophobicContact CD1-CG2 3.84Å; D494-T497 WeakPolarHBondContact CB-OG1 3.32Å; D494-T497 WeakPolarHBondContact OD2-CB 3.12Å; D494-T497 WeakPolarHBondContact OD2-CG2 3.39Å; D494-T497 PolarHBondContact OD2-N 2.72Å; D494-T497 PolarHBondContact OD2-OG1 2.66Å; T497-L499 PolarHBondContact O-N 3.34Å |
| 498 | G | 78.7 | Confident | 82.2 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | trans | 77.5 | 2.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D494 | D494-G498 WeakPolarHBondContact O-CA 3.39Å; D494-G498 PolarHBondContact O-N 2.99Å | ||
| 499 | L | 82.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -86.2 | 158.5 | -175.4 | -65 | 170.9 | 0 | 0 | 0 | 112.1 | L452 N453 Y470 L472 T493 D494 T497 Q501 | L452-L499 HydrophobicContact CB-CD1 4.19Å; L452-L499 HydrophobicContact CB-CD2 4.04Å; L452-L499 HydrophobicContact CD1-CD1 3.97Å; N453-L499 HydrophobicContact CB-CD2 3.82Å; Y470-L499 HydrophobicContact CE2-CB 4.46Å; Y470-L499 HydrophobicContact CE2-CD1 3.85Å; L472-L499 HydrophobicContact CD1-CD1 3.69Å; T493-L499 CarbonylContact C-O 3.58Å; T493-L499 WeakPolarHBondContact CA-O 3.38Å; D494-L499 WeakPolarHBondContact CB-O 3.35Å; D494-L499 PolarHBondContact N-O 3.34Å; T497-L499 PolarHBondContact O-N 3.34Å; L499-Q501 VanDerWaalsContact C-N 3.34Å |
| 500 | K | 80.8 | Confident | 83.8 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -67.4 | -36.9 | 175.4 | -60 | -178.3 | -176 | 172.6 | 0 | 111.6 | E456 E460 | E456-K500 HydrophobicContact CG-CD 4.45Å; E456-K500 WeakPolarHBondContact OE1-CB 3.2Å; E456-K500 PolarHBondContact OE2-N 2.71Å; E460-K500 IonicContact OE1-NZ 2.63Å; E460-K500 PolarHBondContact OE1-NZ 3.2Å; E460-K500 IonicContact OE2-NZ 3.79Å; E460-K500 PolarHBondContact OE2-NZ 3.41Å |
| 501 | Q | 83.1 | Confident | 84.6 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -75.4 | 126.7 | 173.9 | -69 | -61.4 | -22.6 | 0 | 0 | 111.9 | Y470 L499 | Y470-Q501 HydrophobicContact CD2-CB 4.24Å; Y470-Q501 HydrophobicContact CE1-CB 4.44Å; Y470-Q501 HydrophobicContact CE1-CG 3.98Å; Y470-Q501 HydrophobicContact CE2-CB 3.58Å; Y470-Q501 HydrophobicContact CE2-CG 4Å; L499-Q501 VanDerWaalsContact C-N 3.34Å |
| 502 | K | 85.1 | Confident | 85.3 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 143.1 | -177.3 | -64.3 | 178.6 | -179.5 | 163.1 | 0 | 112.7 | F489 S504 | F489-K502 VanDerWaalsContact CD1-NZ 3.3Å; F489-K502 HydrophobicContact CD2-CD 3.63Å; F489-K502 HydrophobicContact CE1-CD 4.43Å; F489-K502 HydrophobicContact CE2-CD 3.3Å; F489-K502 HydrophobicContact CG-CD 4.34Å; F489-K502 HydrophobicContact CZ-CD 3.76Å; F489-K502 WeakPolarHBondContact O-CE 3.46Å; F489-K502 PolarHBondContact O-NZ 2.9Å; K502-S504 PolarHBondContact O-N 3.5Å |
| 503 | T | 86.9 | Confident | 86.2 | Confident | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 127.8 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | L472 L474 D494 L496 | L472-T503 HydrophobicContact CB-CG2 4.44Å; L474-T503 HydrophobicContact CB-CG2 3.91Å; D494-T503 PolarHBondContact OD1-N 3.17Å; D494-T503 PolarHBondContact OD2-OG1 2.89Å; L496-T503 HydrophobicContact CD1-CG2 4.36Å |
| 504 | S | 88.9 | Confident | 86.8 | Confident | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.1 | 174.2 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | L472 F473 L474 K502 | L472-S504 WeakPolarHBondContact O-CB 3.42Å; L472-S504 PolarHBondContact O-N 3.28Å; F473-S504 CarbonylContact C-O 3.49Å; F473-S504 VanDerWaalsContact CA-O 3.28Å; F473-S504 WeakPolarHBondContact CA-O 3.25Å; L474-S504 PolarHBondContact N-O 2.88Å; K502-S504 PolarHBondContact O-N 3.5Å |
| 505 | F | 88.3 | Confident | 87.4 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 131.7 | 178.1 | -64 | -85.6 | 0 | 0 | 0 | 110.9 | L474 W477 I481 A482 A485 L496 | L474-F505 HydrophobicContact CB-CD1 4.45Å; L474-F505 HydrophobicContact CD2-CD1 4.34Å; L474-F505 HydrophobicContact CD2-CE1 3.96Å; W477-F505 HydrophobicContact CB-CD1 3.75Å; W477-F505 HydrophobicContact CB-CE1 4.14Å; W477-F505 HydrophobicContact CD2-CB 4.33Å; W477-F505 HydrophobicContact CD2-CD1 4.06Å; W477-F505 HydrophobicContact CG-CB 4.4Å; W477-F505 AromaticContact CG-CD1 3.67Å; W477-F505 HydrophobicContact CG-CD1 3.67Å; W477-F505 HydrophobicContact CG-CG 4.49Å; W477-F505 HydrophobicContact CZ2-CB 4.5Å; I481-F505 HydrophobicContact CG2-CE1 4.04Å; I481-F505 HydrophobicContact CG2-CZ 4.49Å; A482-F505 HydrophobicContact CB-CD1 4.2Å; A482-F505 HydrophobicContact CB-CE1 4.22Å; A482-F505 HydrophobicContact CB-CG 4.39Å; A482-F505 HydrophobicContact CB-CZ 4.47Å; A485-F505 HydrophobicContact CB-CE2 3.6Å; A485-F505 HydrophobicContact CB-CZ 3.47Å; A485-F505 VanDerWaalsContact CB-CZ 3.47Å; L496-F505 HydrophobicContact CD1-CE1 4.1Å; L496-F505 HydrophobicContact CD1-CZ 3.82Å |
| 506 | G | 88.7 | Confident | 88.2 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 98.5 | -158.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L474 T475 | L474-G506 PolarHBondContact O-N 3.5Å; T475-G506 WeakPolarHBondContact CG2-O 3.32Å |
| 507 | R | 89.4 | Confident | 89 | Confident | 215 Ų | 215 | 54.5 Ų | 54.5 | 81% | 0.811 | 28% | 0.275 | S | S | * | . | trans | -99.3 | 145.2 | -175.4 | -63.7 | -176.6 | -174.6 | -173.1 | 4 | 110.8 | T475 M509 | T475-R507 HydrophobicContact CG2-CG 4.18Å; R507-M509 PolarHBondContact O-N 3.12Å | ||
| 508 | P | 92.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | trans | -58.7 | 133.9 | 172.8 | -19.1 | 28.4 | 0 | 0 | 0 | 111.7 | I438 F473 W510 | I438-P508 HydrophobicContact CD1-CG 3.82Å; I438-P508 HydrophobicContact CG1-CG 4.07Å; F473-P508 HydrophobicContact CB-CG 4.46Å; F473-P508 HydrophobicContact CD1-CB 4.36Å; F473-P508 HydrophobicContact CD1-CG 3.74Å; F473-P508 HydrophobicContact CD2-CG 3.71Å; F473-P508 HydrophobicContact CE1-CB 3.92Å; F473-P508 HydrophobicContact CE1-CG 3.79Å; F473-P508 HydrophobicContact CE2-CB 4.16Å; F473-P508 HydrophobicContact CE2-CG 3.76Å; F473-P508 HydrophobicContact CG-CG 3.69Å; F473-P508 HydrophobicContact CZ-CB 3.81Å; F473-P508 HydrophobicContact CZ-CG 3.8Å; P508-W510 HydrophobicContact CB-CD2 4.02Å; P508-W510 HydrophobicContact CB-CE3 4.12Å; P508-W510 HydrophobicContact CB-CH2 3.88Å; P508-W510 HydrophobicContact CB-CZ2 3.77Å; P508-W510 HydrophobicContact CB-CZ3 4.05Å; P508-W510 HydrophobicContact CG-CH2 3.83Å; P508-W510 HydrophobicContact CG-CZ2 3.63Å; P508-W510 HydrophobicContact CG-CZ3 4.47Å; P508-W510 PolarHBondContact O-N 2.92Å; P508-W510 VanDerWaalsContact O-N 3.1Å | ||
| 509 | M | 93.5 | Very high | 90.4 | Very high | 129 Ų | 129 | 56.5 Ų | 56.5 | 64% | 0.635 | 29% | 0.289 | S | S | * | . | trans | -81.3 | 84 | 169.9 | -67.4 | -158 | -68.4 | 0 | 0 | 109.6 | R507 D511 N512 E513 | R507-M509 PolarHBondContact O-N 3.12Å; M509-D511 VanDerWaalsContact C-N 3.26Å; M509-D511 PolarHBondContact O-N 3.43Å; M509-N512 HydrophobicContact CB-CB 4.34Å; M509-N512 VanDerWaalsContact CE-ND2 3.3Å; M509-N512 WeakPolarHBondContact CE-ND2 3.2Å; M509-N512 PolarHBondContact O-N 3.45Å; M509-E513 PolarHBondContact O-N 3.09Å; M509-E513 VanDerWaalsContact O-N 3.16Å | ||
| 510 | W | 94.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.8 | -35.4 | -172.2 | -64.6 | 119.1 | 0 | 0 | 0 | 114.5 | V401 Y436 I438 P508 N512 E513 F514 L536 L540 | V401-W510 HydrophobicContact CG1-CH2 3.67Å; V401-W510 HydrophobicContact CG1-CZ2 4.02Å; V401-W510 HydrophobicContact CG2-CH2 3.97Å; V401-W510 HydrophobicContact CG2-CZ3 4.26Å; Y436-W510 HydrophobicContact CD1-CH2 4.19Å; Y436-W510 AromaticContact CD1-CZ3 3.96Å; Y436-W510 HydrophobicContact CD1-CZ3 3.96Å; Y436-W510 HydrophobicContact CD2-CZ3 4.24Å; Y436-W510 HydrophobicContact CE1-CZ3 4.27Å; Y436-W510 HydrophobicContact CG-CH2 4.05Å; Y436-W510 AromaticContact CG-CZ3 3.97Å; Y436-W510 HydrophobicContact CG-CZ3 3.97Å; I438-W510 HydrophobicContact CD1-CH2 4.17Å; I438-W510 HydrophobicContact CD1-CZ2 3.71Å; P508-W510 HydrophobicContact CB-CD2 4.02Å; P508-W510 HydrophobicContact CB-CE3 4.12Å; P508-W510 HydrophobicContact CB-CH2 3.88Å; P508-W510 HydrophobicContact CB-CZ2 3.77Å; P508-W510 HydrophobicContact CB-CZ3 4.05Å; P508-W510 HydrophobicContact CG-CH2 3.83Å; P508-W510 HydrophobicContact CG-CZ2 3.63Å; P508-W510 HydrophobicContact CG-CZ3 4.47Å; P508-W510 PolarHBondContact O-N 2.92Å; P508-W510 VanDerWaalsContact O-N 3.1Å; W510-N512 VanDerWaalsContact C-N 3.33Å; W510-N512 PolarHBondContact O-N 3.15Å; W510-E513 PolarHBondContact O-N 3.25Å; W510-F514 HydrophobicContact CB-CD2 4.43Å; W510-F514 HydrophobicContact CE3-CE2 4.15Å; W510-F514 WeakPolarHBondContact O-CB 3.49Å; W510-F514 VanDerWaalsContact O-CD2 3.23Å; W510-F514 WeakPolarHBondContact O-CD2 3.41Å; W510-F514 PolarHBondContact O-N 2.79Å; W510-L536 HydrophobicContact CZ2-CD1 3.65Å; W510-L536 VanDerWaalsContact NE1-CD1 3.34Å; W510-L540 HydrophobicContact CD2-CD2 3.42Å; W510-L540 VanDerWaalsContact CD2-CD2 3.42Å; W510-L540 HydrophobicContact CE3-CD2 3.57Å; W510-L540 HydrophobicContact CG-CD2 3.94Å; W510-L540 HydrophobicContact CH2-CD2 4.09Å; W510-L540 HydrophobicContact CZ2-CD2 3.95Å; W510-L540 HydrophobicContact CZ3-CD2 3.9Å |
| 511 | D | 93.7 | Very high | 91.4 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.9 | -79.7 | -75.7 | 0 | 0 | 0 | 112.1 | M509 S515 R546 Y547 | M509-D511 VanDerWaalsContact C-N 3.26Å; M509-D511 PolarHBondContact O-N 3.43Å; D511-S515 WeakPolarHBondContact O-CB 3.45Å; D511-S515 PolarHBondContact O-N 2.94Å; D511-R546 IonicContact OD1-CZ 3.32Å; D511-R546 IonicContact OD1-NE 2.77Å; D511-R546 IonicContact OD1-NH1 3.09Å; D511-R546 PolarHBondContact OD1-NH1 3.47Å; D511-R546 IonicContact OD2-NH1 3.76Å; D511-Y547 WeakPolarHBondContact CA-OH 3.43Å; D511-Y547 HydrophobicContact CB-CE2 4.45Å; D511-Y547 WeakPolarHBondContact CB-OH 3.33Å; D511-Y547 PolarHBondContact O-OH 2.97Å; D511-Y547 WeakPolarHBondContact OD1-CE2 3.49Å; D511-Y547 PolarHBondContact OD1-OH 2.95Å |
| 512 | N | 94.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 56.3 Ų | 56.3 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 179.1 | -67.4 | 6.6 | 0 | 0 | 0 | 111.3 | M509 W510 R516 | M509-N512 HydrophobicContact CB-CB 4.34Å; M509-N512 VanDerWaalsContact CE-ND2 3.3Å; M509-N512 WeakPolarHBondContact CE-ND2 3.2Å; M509-N512 PolarHBondContact O-N 3.45Å; W510-N512 VanDerWaalsContact C-N 3.33Å; W510-N512 PolarHBondContact O-N 3.15Å; N512-R516 WeakPolarHBondContact O-CB 3.17Å; N512-R516 PolarHBondContact O-N 3.26Å |
| 513 | E | 94.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 178.5 | -62.1 | -63.5 | 153.3 | 0 | 0 | 111.4 | Y436 R471 M509 W510 R516 I517 | Y436-E513 HydrophobicContact CE1-CG 3.94Å; Y436-E513 WeakPolarHBondContact CE1-OE2 3.48Å; Y436-E513 PolarHBondContact OH-OE2 3.15Å; R471-E513 IonicContact CZ-OE1 2.78Å; R471-E513 IonicContact CZ-OE2 3.39Å; R471-E513 IonicContact NE-OE2 2.79Å; R471-E513 IonicContact NH1-OE1 3.82Å; R471-E513 PolarHBondContact NH1-OE1 3.05Å; R471-E513 IonicContact NH1-OE2 3.49Å; M509-E513 PolarHBondContact O-N 3.09Å; M509-E513 VanDerWaalsContact O-N 3.16Å; W510-E513 PolarHBondContact O-N 3.25Å; E513-R516 PolarHBondContact O-N 3.2Å; E513-R516 IonicContact OE2-CZ 3.39Å; E513-R516 IonicContact OE2-NH1 2.64Å; E513-R516 IonicContact OE2-NH2 3.41Å; E513-R516 PolarHBondContact OE2-NH2 2.87Å; E513-I517 WeakPolarHBondContact O-CD1 3.44Å; E513-I517 VanDerWaalsContact O-CG1 3.24Å; E513-I517 WeakPolarHBondContact O-CG1 3.37Å; E513-I517 PolarHBondContact O-N 3.5Å |
| 514 | F | 94.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 179.1 | -86.6 | -109.2 | 0 | 0 | 0 | 112.2 | W510 R516 I517 A518 V528 L540 C543 C544 Y547 F557 | W510-F514 HydrophobicContact CB-CD2 4.43Å; W510-F514 HydrophobicContact CE3-CE2 4.15Å; W510-F514 WeakPolarHBondContact O-CB 3.49Å; W510-F514 VanDerWaalsContact O-CD2 3.23Å; W510-F514 WeakPolarHBondContact O-CD2 3.41Å; W510-F514 PolarHBondContact O-N 2.79Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.49Å; F514-I517 PolarHBondContact O-N 2.88Å; F514-A518 VanDerWaalsContact O-CB 3.26Å; F514-A518 WeakPolarHBondContact O-CB 3.43Å; F514-A518 PolarHBondContact O-N 3.27Å; F514-V528 HydrophobicContact CE1-CG2 4.02Å; F514-V528 HydrophobicContact CZ-CG1 4.11Å; F514-V528 HydrophobicContact CZ-CG2 4.01Å; F514-L540 HydrophobicContact CE2-CD2 3.78Å; F514-L540 HydrophobicContact CZ-CD2 4.14Å; F514-C543 HydrophobicContact CD1-CB 3.94Å; F514-C543 HydrophobicContact CD2-CB 3.91Å; F514-C543 HydrophobicContact CE1-CB 4.02Å; F514-C543 HydrophobicContact CE2-CB 3.99Å; F514-C543 HydrophobicContact CG-CB 3.87Å; F514-C543 HydrophobicContact CZ-CB 4.04Å; F514-C544 HydrophobicContact CE1-CB 4.41Å; F514-C544 VanDerWaalsContact CE1-SG 3.56Å; F514-Y547 HydrophobicContact CB-CD2 3.45Å; F514-Y547 VanDerWaalsContact CB-CD2 3.45Å; F514-Y547 HydrophobicContact CB-CE2 3.86Å; F514-Y547 HydrophobicContact CB-CG 3.85Å; F514-Y547 HydrophobicContact CD1-CD2 4.29Å; F514-Y547 HydrophobicContact CG-CD2 4.17Å; F514-F557 AromaticContact CD1-CD1 3.71Å; F514-F557 HydrophobicContact CD1-CD1 3.71Å; F514-F557 AromaticContact CD1-CE1 3.65Å; F514-F557 HydrophobicContact CD1-CE1 3.65Å; F514-F557 HydrophobicContact CD1-CE2 4.47Å; F514-F557 HydrophobicContact CD1-CG 4.15Å; F514-F557 HydrophobicContact CD1-CZ 4.06Å; F514-F557 HydrophobicContact CE1-CB 4.5Å; F514-F557 AromaticContact CE1-CD1 3.58Å; F514-F557 HydrophobicContact CE1-CD1 3.58Å; F514-F557 AromaticContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CG 4.09Å; F514-F557 HydrophobicContact CG-CE1 4.5Å |
| 515 | S | 93.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 43% | 0.427 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 174.3 | -177 | 0 | 0 | 0 | 0 | 111.2 | D511 A518 A519 | D511-S515 WeakPolarHBondContact O-CB 3.45Å; D511-S515 PolarHBondContact O-N 2.94Å; S515-A518 PolarHBondContact O-N 2.91Å; S515-A519 WeakPolarHBondContact O-CB 3.26Å; S515-A519 PolarHBondContact O-N 3.43Å |
| 516 | R | 94.2 | Very high | 92.1 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 35% | 0.347 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.9 | -171.9 | -175.1 | 67 | -156.4 | -4.5 | 112.4 | N512 E513 F514 A518 A519 A520 | N512-R516 WeakPolarHBondContact O-CB 3.17Å; N512-R516 PolarHBondContact O-N 3.26Å; E513-R516 PolarHBondContact O-N 3.2Å; E513-R516 IonicContact OE2-CZ 3.39Å; E513-R516 IonicContact OE2-NH1 2.64Å; E513-R516 IonicContact OE2-NH2 3.41Å; E513-R516 PolarHBondContact OE2-NH2 2.87Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.49Å; R516-A518 VanDerWaalsContact C-N 3.34Å; R516-A519 PolarHBondContact O-N 2.76Å; R516-A520 WeakPolarHBondContact O-CB 3.36Å; R516-A520 PolarHBondContact O-N 3.1Å |
| 517 | I | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 178.4 | -67.5 | 164.2 | 0 | 0 | 0 | 110.4 | V399 Y434 E513 F514 A519 A520 H521 V526 F557 | V399-I517 HydrophobicContact CG2-CD1 3.89Å; Y434-I517 HydrophobicContact CD1-CG1 4.43Å; Y434-I517 HydrophobicContact CD2-CD1 4.15Å; Y434-I517 HydrophobicContact CD2-CG1 4.15Å; Y434-I517 HydrophobicContact CE1-CG1 4.32Å; Y434-I517 HydrophobicContact CE2-CG1 4.02Å; Y434-I517 HydrophobicContact CE2-CG2 4.3Å; Y434-I517 HydrophobicContact CG-CD1 4.14Å; Y434-I517 HydrophobicContact CG-CG1 4.35Å; E513-I517 WeakPolarHBondContact O-CD1 3.44Å; E513-I517 VanDerWaalsContact O-CG1 3.24Å; E513-I517 WeakPolarHBondContact O-CG1 3.37Å; E513-I517 PolarHBondContact O-N 3.5Å; F514-I517 PolarHBondContact O-N 2.88Å; I517-A519 VanDerWaalsContact C-N 3.34Å; I517-A519 PolarHBondContact O-N 3.12Å; I517-A520 PolarHBondContact O-N 3.29Å; I517-H521 PolarHBondContact O-CD2 2.99Å; I517-H521 PolarHBondContact O-N 3.13Å; I517-V526 HydrophobicContact CG2-CG1 4.34Å; I517-V526 HydrophobicContact CG2-CG2 4.34Å; I517-F557 HydrophobicContact CB-CE1 4.39Å; I517-F557 HydrophobicContact CB-CZ 4.35Å; I517-F557 HydrophobicContact CG2-CE1 3.82Å; I517-F557 HydrophobicContact CG2-CZ 3.98Å |
| 518 | A | 92.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F514 S515 R516 H521 V555 F557 | F514-A518 VanDerWaalsContact O-CB 3.26Å; F514-A518 WeakPolarHBondContact O-CB 3.43Å; F514-A518 PolarHBondContact O-N 3.27Å; S515-A518 PolarHBondContact O-N 2.91Å; R516-A518 VanDerWaalsContact C-N 3.34Å; A518-H521 CarbonylContact O-C 3.6Å; A518-V555 HydrophobicContact CB-CG1 4.07Å; A518-F557 HydrophobicContact CB-CE2 4.03Å; A518-F557 HydrophobicContact CB-CZ 4.08Å |
| 519 | A | 93 | Very high | 92.5 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 66% | 0.661 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.2 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S515 R516 I517 H521 | S515-A519 WeakPolarHBondContact O-CB 3.26Å; S515-A519 PolarHBondContact O-N 3.43Å; R516-A519 PolarHBondContact O-N 2.76Å; I517-A519 VanDerWaalsContact C-N 3.34Å; I517-A519 PolarHBondContact O-N 3.12Å; A519-H521 VanDerWaalsContact C-N 3.34Å |
| 520 | A | 92.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.2 | -30.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R516 I517 | R516-A520 WeakPolarHBondContact O-CB 3.36Å; R516-A520 PolarHBondContact O-N 3.1Å; I517-A520 PolarHBondContact O-N 3.29Å |
| 521 | H | 92.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | trans | -129.3 | 65.3 | -172.8 | -58.2 | -75.2 | 0 | 0 | 0 | 112.3 | V397 Y434 I517 A518 A519 K523 A524 V555 | V397-H521 HydrophobicContact CG2-CB 4.3Å; Y434-H521 AromaticContact CE2-NE2 3.7Å; Y434-H521 AromaticContact CZ-NE2 3.79Å; Y434-H521 PolarHBondContact OH-NE2 3.33Å; I517-H521 PolarHBondContact O-CD2 2.99Å; I517-H521 PolarHBondContact O-N 3.13Å; A518-H521 CarbonylContact O-C 3.6Å; A519-H521 VanDerWaalsContact C-N 3.34Å; H521-K523 PolarHBondContact O-N 2.67Å; H521-A524 HydrophobicContact CB-CB 3.78Å; H521-A524 PolarHBondContact O-N 3.35Å; H521-V555 WeakPolarHBondContact O-CB 3.37Å; H521-V555 WeakPolarHBondContact O-CG2 3.48Å | ||
| 522 | P | 88.9 | Confident | 91.9 | Very high | 79 Ų | 79 | 37 Ų | 37 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.3 | -166.6 | 26.9 | -36.2 | 0 | 0 | 0 | 115.1 | K554 V555 | P522-K554 CarbonylContact O-C 3.59Å; P522-K554 VanDerWaalsContact O-CA 3.32Å; P522-K554 WeakPolarHBondContact O-CA 3.41Å; P522-V555 PolarHBondContact O-N 3.23Å |
| 523 | K | 89.7 | Confident | 91.6 | Very high | 174 Ų | 174 | 35.6 Ų | 35.6 | 76% | 0.757 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | 4.3 | -178.5 | -61.8 | -177.2 | -178.7 | 175.3 | 0 | 113.7 | H521 | H521-K523 PolarHBondContact O-N 2.67Š|
| 524 | A | 87.4 | Confident | 91.2 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | trans | -86 | 151.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V397 H521 V526 V555 Q556 | V397-A524 HydrophobicContact CG2-CB 3.94Å; H521-A524 HydrophobicContact CB-CB 3.78Å; H521-A524 PolarHBondContact O-N 3.35Å; A524-V526 HydrophobicContact CB-CG2 4.5Å; A524-V555 WeakPolarHBondContact O-CA 3.43Å; A524-Q556 PolarHBondContact O-N 2.83Å | ||
| 525 | A | 89 | Confident | 90.9 | Very high | 28 Ų | 28 | 45 Ų | 45 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y558 | A525-Y558 HydrophobicContact CB-CE2 3.91Å |
| 526 | V | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.9 | -176.3 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | V397 V399 I517 A524 V528 V555 Q556 F557 Y558 | V397-V526 HydrophobicContact CB-CG1 4.34Å; V397-V526 HydrophobicContact CB-CG2 4.15Å; V397-V526 HydrophobicContact CG1-CG1 4.12Å; V397-V526 HydrophobicContact CG1-CG2 4.42Å; V397-V526 CarbonylContact O-C 3.46Å; V397-V526 WeakPolarHBondContact O-CA 3.45Å; V399-V526 HydrophobicContact CG2-CG1 3.69Å; I517-V526 HydrophobicContact CG2-CG1 4.34Å; I517-V526 HydrophobicContact CG2-CG2 4.34Å; A524-V526 HydrophobicContact CB-CG2 4.5Å; V526-V528 HydrophobicContact CG1-CG2 4.38Å; V526-V555 HydrophobicContact CG2-CG2 3.94Å; V526-Q556 PolarHBondContact N-O 2.76Å; V526-F557 HydrophobicContact CB-CD1 3.69Å; V526-F557 HydrophobicContact CB-CE1 3.9Å; V526-F557 HydrophobicContact CB-CG 4.32Å; V526-F557 HydrophobicContact CG1-CD1 3.7Å; V526-F557 HydrophobicContact CG1-CE1 3.74Å; V526-F557 HydrophobicContact CG2-CD1 4.27Å; V526-F557 HydrophobicContact CG2-CE1 4.03Å; V526-F557 HydrophobicContact CG2-CZ 4.38Å; V526-F557 WeakPolarHBondContact O-CA 3.48Å; V526-Y558 PolarHBondContact O-N 3.26Å |
| 527 | G | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y395 V397 A398 V399 F529 | Y395-G527 VanDerWaalsContact CD1-CA 3.45Å; Y395-G527 VanDerWaalsContact CD1-N 3.31Å; V397-G527 PolarHBondContact O-N 3.38Å; A398-G527 CarbonylContact C-O 3.56Å; A398-G527 WeakPolarHBondContact CA-O 3.34Å; V399-G527 PolarHBondContact N-O 3.28Å; G527-F529 WeakPolarHBondContact O-CD2 3.09Å |
| 528 | V | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 109.2 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | V399 F514 V526 F557 Y558 F559 N560 | V399-V528 HydrophobicContact CB-CB 4.42Å; V399-V528 HydrophobicContact CB-CG1 4.32Å; V399-V528 HydrophobicContact CB-CG2 4.13Å; V399-V528 HydrophobicContact CG1-CG1 4.3Å; V399-V528 HydrophobicContact CG2-CG2 4.37Å; V399-V528 CarbonylContact O-C 3.59Å; V399-V528 WeakPolarHBondContact O-CA 3.11Å; F514-V528 HydrophobicContact CE1-CG2 4.02Å; F514-V528 HydrophobicContact CZ-CG1 4.11Å; F514-V528 HydrophobicContact CZ-CG2 4.01Å; V526-V528 HydrophobicContact CG1-CG2 4.38Å; V528-F557 HydrophobicContact CG2-CB 4.48Å; V528-F557 HydrophobicContact CG2-CD1 3.88Å; V528-Y558 PolarHBondContact N-O 3.47Å; V528-F559 HydrophobicContact CB-CD2 4.46Å; V528-F559 HydrophobicContact CG1-CD2 4.2Å; V528-N560 PolarHBondContact O-N 3.18Å; V528-N560 VanDerWaalsContact O-O 3.13Å |
| 529 | F | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123 | -177.1 | -61.1 | -94.3 | 0 | 0 | 0 | 110.1 | V392 Y395 V399 L400 V401 F410 G527 N560 | V392-F529 HydrophobicContact CB-CE2 4.24Å; V392-F529 HydrophobicContact CB-CZ 4.18Å; V392-F529 HydrophobicContact CG2-CD1 3.82Å; V392-F529 HydrophobicContact CG2-CD2 3.71Å; V392-F529 HydrophobicContact CG2-CE1 3.7Å; V392-F529 HydrophobicContact CG2-CE2 3.58Å; V392-F529 HydrophobicContact CG2-CG 3.82Å; V392-F529 HydrophobicContact CG2-CZ 3.56Å; Y395-F529 AromaticContact CD2-CE2 3.89Å; Y395-F529 HydrophobicContact CD2-CE2 3.89Å; Y395-F529 AromaticContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CD2-CZ 3.66Å; Y395-F529 HydrophobicContact CE2-CE2 4.12Å; Y395-F529 AromaticContact CE2-CZ 3.53Å; Y395-F529 HydrophobicContact CE2-CZ 3.53Å; V399-F529 PolarHBondContact O-N 2.99Å; L400-F529 HydrophobicContact CD2-CB 4.02Å; L400-F529 HydrophobicContact CD2-CD2 3.92Å; L400-F529 HydrophobicContact CD2-CG 4.23Å; V401-F529 PolarHBondContact N-O 2.69Å; F410-F529 HydrophobicContact CE1-CB 3.89Å; F410-F529 HydrophobicContact CZ-CB 4.14Å; G527-F529 WeakPolarHBondContact O-CD2 3.09Å; F529-N560 CarbonylContact C-O 3.56Å; F529-N560 WeakPolarHBondContact CA-O 3.31Å; F529-N560 HydrophobicContact CD1-CB 3.61Å; F529-N560 HydrophobicContact CE1-CB 3.8Å; F529-N560 WeakPolarHBondContact CE1-ND2 3.38Å; F529-N560 HydrophobicContact CG-CB 4.27Å |
| 530 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.4 | 177.4 | 171.7 | 69 | 0 | 0 | 0 | 110.9 | V401 L536 A537 L540 F559 N560 K561 E562 | V401-L530 HydrophobicContact CB-CD1 4.01Å; V401-L530 HydrophobicContact CG1-CD1 3.88Å; V401-L530 WeakPolarHBondContact O-CA 3.42Å; V401-L530 WeakPolarHBondContact O-CD1 3.32Å; L530-L536 HydrophobicContact CD1-CD2 3.6Å; L530-L536 HydrophobicContact CD1-CG 3.87Å; L530-L536 HydrophobicContact CD2-CB 4.48Å; L530-L536 HydrophobicContact CD2-CG 4.25Å; L530-A537 HydrophobicContact CD2-CB 3.42Å; L530-A537 VanDerWaalsContact CD2-CB 3.42Å; L530-A537 VanDerWaalsContact CD2-N 3.35Å; L530-L540 HydrophobicContact CB-CD1 4.02Å; L530-L540 HydrophobicContact CD1-CD1 3.92Å; L530-L540 HydrophobicContact CD2-CD1 4.1Å; L530-L540 HydrophobicContact CG-CD1 4.22Å; L530-F559 HydrophobicContact CB-CE2 4.05Å; L530-F559 HydrophobicContact CB-CZ 4.22Å; L530-F559 HydrophobicContact CD2-CE2 4.43Å; L530-F559 HydrophobicContact CD2-CZ 4.1Å; L530-N560 PolarHBondContact N-O 3.4Å; L530-K561 HydrophobicContact CD2-CG 4.33Å; L530-E562 PolarHBondContact O-N 3.18Å |
| 531 | C | 89.8 | Confident | 90.3 | Very high | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 101.8 | 159.9 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | V401 A403 G406 P409 F410 E562 F564 | V401-C531 PolarHBondContact O-N 3.43Å; A403-C531 PolarHBondContact N-O 3.41Å; G406-C531 WeakPolarHBondContact CA-SG 3.43Å; G406-C531 WeakPolarHBondContact O-CB 3.36Å; G406-C531 PolarHBondContact O-SG 3.17Å; P409-C531 HydrophobicContact CG-CB 3.98Å; F410-C531 HydrophobicContact CE2-CB 4.01Å; F410-C531 HydrophobicContact CZ-CB 4.22Å; C531-E562 HydrophobicContact CB-CB 3.99Å; C531-E562 HydrophobicContact CB-CG 4.1Å; C531-F564 WeakPolarHBondContact SG-CE2 3.36Å |
| 532 | G | 88.6 | Confident | 90.3 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 171.9 | -170.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 533 | P | 87.3 | Confident | 90.5 | Very high | 66 Ų | 66 | 49 Ų | 49 | 43% | 0.429 | 25% | 0.247 | S | C | . | . | trans | -67.1 | 153.4 | -170.4 | 25.9 | -33.6 | 0 | 0 | 0 | 113.4 | T535 L536 A537 | P533-T535 VanDerWaalsContact C-N 3.26Å; P533-T535 PolarHBondContact O-N 3.01Å; P533-L536 HydrophobicContact CG-CB 4Å; P533-L536 PolarHBondContact O-N 3.2Å; P533-A537 PolarHBondContact O-N 2.69Å | ||
| 534 | R | 85.5 | Confident | 90.6 | Very high | 110 Ų | 110 | 40.9 Ų | 40.9 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -32.1 | -178.5 | -68.6 | -171.7 | -177.8 | -178.8 | 5.4 | 113.5 | E194 A537 K538 | E194-R534 IonicContact OE1-CZ 3.72Å; E194-R534 IonicContact OE1-NH1 2.68Å; E194-R534 PolarHBondContact OE1-NH1 2.9Å; E194-R534 IonicContact OE1-NH2 2.79Å; E194-R534 IonicContact OE2-CZ 3.23Å; E194-R534 IonicContact OE2-NH1 2.96Å; E194-R534 PolarHBondContact OE2-NH1 2.94Å; E194-R534 IonicContact OE2-NH2 2.78Å; E194-R534 PolarHBondContact OE2-NH2 3.38Å; E194-R534 VanDerWaalsContact OE2-NH2 3.07Å; R534-A537 WeakPolarHBondContact O-CB 3.22Å; R534-A537 PolarHBondContact O-N 3.48Å; R534-K538 WeakPolarHBondContact O-CG 3.43Å; R534-K538 PolarHBondContact O-N 2.72Å |
| 535 | T | 88.6 | Confident | 90.6 | Very high | 105 Ų | 105 | 46.1 Ų | 46.1 | 64% | 0.644 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63 | -47.5 | 176.9 | 45.9 | 0 | 0 | 0 | 0 | 111 | P533 A537 K538 S539 | P533-T535 VanDerWaalsContact C-N 3.26Å; P533-T535 PolarHBondContact O-N 3.01Å; T535-A537 VanDerWaalsContact C-N 3.31Å; T535-A537 PolarHBondContact O-N 3.24Å; T535-K538 PolarHBondContact O-N 3.13Å; T535-S539 PolarHBondContact O-N 3.3Å; T535-S539 PolarHBondContact O-OG 2.93Å |
| 536 | L | 90.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 174.5 | 179.9 | 55.7 | 0 | 0 | 0 | 111.6 | V401 A403 I438 W510 L530 P533 K538 S539 L540 | V401-L536 HydrophobicContact CG1-CD2 4.09Å; A403-L536 HydrophobicContact CB-CD2 4.33Å; I438-L536 HydrophobicContact CD1-CD2 3.87Å; W510-L536 HydrophobicContact CZ2-CD1 3.65Å; W510-L536 VanDerWaalsContact NE1-CD1 3.34Å; L530-L536 HydrophobicContact CD1-CD2 3.6Å; L530-L536 HydrophobicContact CD1-CG 3.87Å; L530-L536 HydrophobicContact CD2-CB 4.48Å; L530-L536 HydrophobicContact CD2-CG 4.25Å; P533-L536 HydrophobicContact CG-CB 4Å; P533-L536 PolarHBondContact O-N 3.2Å; L536-K538 VanDerWaalsContact C-N 3.33Å; L536-K538 PolarHBondContact O-N 3.49Å; L536-S539 PolarHBondContact O-N 3.11Å; L536-L540 HydrophobicContact CD1-CD1 4.23Å; L536-L540 HydrophobicContact CD1-CG 4.06Å; L536-L540 HydrophobicContact CG-CD1 4.18Å; L536-L540 HydrophobicContact CG-CG 4.43Å; L536-L540 PolarHBondContact O-N 3.28Å |
| 537 | A | 90.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L530 P533 R534 T535 R541 F559 K561 | L530-A537 HydrophobicContact CD2-CB 3.42Å; L530-A537 VanDerWaalsContact CD2-CB 3.42Å; L530-A537 VanDerWaalsContact CD2-N 3.35Å; P533-A537 PolarHBondContact O-N 2.69Å; R534-A537 WeakPolarHBondContact O-CB 3.22Å; R534-A537 PolarHBondContact O-N 3.48Å; T535-A537 VanDerWaalsContact C-N 3.31Å; T535-A537 PolarHBondContact O-N 3.24Å; A537-R541 WeakPolarHBondContact O-CB 3.4Å; A537-R541 PolarHBondContact O-N 2.96Å; A537-F559 HydrophobicContact CB-CE1 4.5Å; A537-F559 HydrophobicContact CB-CZ 3.98Å; A537-K561 HydrophobicContact CB-CD 3.92Å; A537-K561 HydrophobicContact CB-CG 4.32Å |
| 538 | K | 89.4 | Confident | 90.5 | Very high | 152 Ų | 152 | 55.9 Ų | 55.9 | 66% | 0.661 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 176.2 | -71.9 | -179.8 | -179.9 | -174.9 | 0 | 111.3 | R534 T535 L536 K542 | R534-K538 WeakPolarHBondContact O-CG 3.43Å; R534-K538 PolarHBondContact O-N 2.72Å; T535-K538 PolarHBondContact O-N 3.13Å; L536-K538 VanDerWaalsContact C-N 3.33Å; L536-K538 PolarHBondContact O-N 3.49Å; K538-K542 WeakPolarHBondContact O-CB 3.36Å; K538-K542 PolarHBondContact O-N 3.47Å |
| 539 | S | 92.4 | Very high | 90 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | T535 L536 R541 K542 C543 | T535-S539 PolarHBondContact O-N 3.3Å; T535-S539 PolarHBondContact O-OG 2.93Å; L536-S539 PolarHBondContact O-N 3.11Å; S539-R541 VanDerWaalsContact C-N 3.35Å; S539-R541 PolarHBondContact O-N 3.44Å; S539-K542 PolarHBondContact O-N 3.45Å; S539-C543 PolarHBondContact O-N 3.35Å; S539-C543 PolarHBondContact O-SG 3.08Å |
| 540 | L | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 178.5 | -71.4 | 179.6 | 0 | 0 | 0 | 111.9 | V401 W510 F514 L530 L536 K542 C543 C544 F559 | V401-L540 HydrophobicContact CB-CD1 4.05Å; V401-L540 HydrophobicContact CG1-CD1 4.09Å; V401-L540 HydrophobicContact CG2-CD1 3.94Å; W510-L540 HydrophobicContact CD2-CD2 3.42Å; W510-L540 VanDerWaalsContact CD2-CD2 3.42Å; W510-L540 HydrophobicContact CE3-CD2 3.57Å; W510-L540 HydrophobicContact CG-CD2 3.94Å; W510-L540 HydrophobicContact CH2-CD2 4.09Å; W510-L540 HydrophobicContact CZ2-CD2 3.95Å; W510-L540 HydrophobicContact CZ3-CD2 3.9Å; F514-L540 HydrophobicContact CE2-CD2 3.78Å; F514-L540 HydrophobicContact CZ-CD2 4.14Å; L530-L540 HydrophobicContact CB-CD1 4.02Å; L530-L540 HydrophobicContact CD1-CD1 3.92Å; L530-L540 HydrophobicContact CD2-CD1 4.1Å; L530-L540 HydrophobicContact CG-CD1 4.22Å; L536-L540 HydrophobicContact CD1-CD1 4.23Å; L536-L540 HydrophobicContact CD1-CG 4.06Å; L536-L540 HydrophobicContact CG-CD1 4.18Å; L536-L540 HydrophobicContact CG-CG 4.43Å; L536-L540 PolarHBondContact O-N 3.28Å; L540-K542 VanDerWaalsContact C-N 3.34Å; L540-K542 PolarHBondContact O-N 3.26Å; L540-C543 PolarHBondContact O-N 3.36Å; L540-C544 PolarHBondContact O-N 3.34Å; L540-C544 PolarHBondContact O-SG 3.16Å; L540-F559 HydrophobicContact CB-CD2 4.09Å; L540-F559 HydrophobicContact CB-CE2 3.6Å; L540-F559 HydrophobicContact CB-CZ 4.46Å; L540-F559 HydrophobicContact CD1-CE2 4.29Å |
| 541 | R | 91.2 | Very high | 88.6 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 175.9 | -174.1 | -178.9 | -63.5 | 156 | -5.5 | 112 | A537 S539 C543 C544 Q545 F559 | A537-R541 WeakPolarHBondContact O-CB 3.4Å; A537-R541 PolarHBondContact O-N 2.96Å; S539-R541 VanDerWaalsContact C-N 3.35Å; S539-R541 PolarHBondContact O-N 3.44Å; R541-C543 VanDerWaalsContact C-N 3.33Å; R541-C544 PolarHBondContact O-N 2.83Å; R541-Q545 WeakPolarHBondContact O-CG 3.48Å; R541-Q545 PolarHBondContact O-N 3.21Å; R541-F559 HydrophobicContact CB-CD1 3.96Å; R541-F559 HydrophobicContact CB-CE1 4.13Å; R541-F559 HydrophobicContact CB-CG 4.2Å; R541-F559 HydrophobicContact CG-CD1 4.14Å; R541-F559 HydrophobicContact CG-CG 4.5Å |
| 542 | K | 91.4 | Very high | 87.8 | Confident | 151 Ų | 151 | 71.8 Ų | 71.8 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 175.4 | -172.8 | -179.7 | 178.7 | -176.3 | 0 | 111.1 | K538 S539 L540 Q545 R546 | K538-K542 WeakPolarHBondContact O-CB 3.36Å; K538-K542 PolarHBondContact O-N 3.47Å; S539-K542 PolarHBondContact O-N 3.45Å; L540-K542 VanDerWaalsContact C-N 3.34Å; L540-K542 PolarHBondContact O-N 3.26Å; K542-Q545 PolarHBondContact O-N 2.94Å; K542-R546 WeakPolarHBondContact O-CB 3.2Å; K542-R546 PolarHBondContact O-N 3.42Å |
| 543 | C | 92.8 | Very high | 87.2 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 5% | 0.054 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 176.3 | -62 | 0 | 0 | 0 | 0 | 111.5 | F514 S539 L540 R541 Q545 R546 Y547 | F514-C543 HydrophobicContact CD1-CB 3.94Å; F514-C543 HydrophobicContact CD2-CB 3.91Å; F514-C543 HydrophobicContact CE1-CB 4.02Å; F514-C543 HydrophobicContact CE2-CB 3.99Å; F514-C543 HydrophobicContact CG-CB 3.87Å; F514-C543 HydrophobicContact CZ-CB 4.04Å; S539-C543 PolarHBondContact O-N 3.35Å; S539-C543 PolarHBondContact O-SG 3.08Å; L540-C543 PolarHBondContact O-N 3.36Å; R541-C543 VanDerWaalsContact C-N 3.33Å; C543-Q545 VanDerWaalsContact C-N 3.26Å; C543-Q545 PolarHBondContact O-N 2.84Å; C543-R546 PolarHBondContact O-N 3.13Å; C543-R546 VanDerWaalsContact O-N 3.09Å; C543-Y547 HydrophobicContact CB-CD2 4.33Å; C543-Y547 VanDerWaalsContact O-CD2 3.27Å; C543-Y547 WeakPolarHBondContact O-CD2 3.02Å; C543-Y547 PolarHBondContact O-N 2.96Å |
| 544 | C | 91.6 | Very high | 87.1 | Confident | 4 Ų | 4 | 82.8 Ų | 82.8 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.7 | -44.5 | 176.2 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | F514 L540 R541 S548 F557 F559 | F514-C544 HydrophobicContact CE1-CB 4.41Å; F514-C544 VanDerWaalsContact CE1-SG 3.56Å; L540-C544 PolarHBondContact O-N 3.34Å; L540-C544 PolarHBondContact O-SG 3.16Å; R541-C544 PolarHBondContact O-N 2.83Å; C544-S548 VanDerWaalsContact O-CB 3.26Å; C544-S548 WeakPolarHBondContact O-CB 3.26Å; C544-S548 PolarHBondContact O-N 3.34Å; C544-S548 VanDerWaalsContact O-N 3.09Å; C544-S548 PolarHBondContact O-OG 3.25Å; C544-F557 HydrophobicContact CB-CB 3.84Å; C544-F559 HydrophobicContact CB-CB 4.2Å |
| 545 | Q | 88.9 | Confident | 87.2 | Confident | 117 Ų | 117 | 78.1 Ų | 78.1 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 178.4 | -71 | 173.2 | -12.1 | 0 | 0 | 113 | R541 K542 C543 | R541-Q545 WeakPolarHBondContact O-CG 3.48Å; R541-Q545 PolarHBondContact O-N 3.21Å; K542-Q545 PolarHBondContact O-N 2.94Å; C543-Q545 VanDerWaalsContact C-N 3.26Å; C543-Q545 PolarHBondContact O-N 2.84Å |
| 546 | R | 90.2 | Very high | 87.3 | Confident | 167 Ų | 167 | 73.8 Ų | 73.8 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.6 | -41.7 | -178.6 | -176.2 | -179.3 | -176.7 | 176.1 | 5.1 | 112.7 | D511 K542 C543 | D511-R546 IonicContact OD1-CZ 3.32Å; D511-R546 IonicContact OD1-NE 2.77Å; D511-R546 IonicContact OD1-NH1 3.09Å; D511-R546 PolarHBondContact OD1-NH1 3.47Å; D511-R546 IonicContact OD2-NH1 3.76Å; K542-R546 WeakPolarHBondContact O-CB 3.2Å; K542-R546 PolarHBondContact O-N 3.42Å; C543-R546 PolarHBondContact O-N 3.13Å; C543-R546 VanDerWaalsContact O-N 3.09Å |
| 547 | Y | 90.5 | Very high | 87.2 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -97 | -3.7 | -173.8 | -66.4 | -80.4 | 0 | 0 | 0 | 113.8 | D511 F514 C543 | D511-Y547 WeakPolarHBondContact CA-OH 3.43Å; D511-Y547 HydrophobicContact CB-CE2 4.45Å; D511-Y547 WeakPolarHBondContact CB-OH 3.33Å; D511-Y547 PolarHBondContact O-OH 2.97Å; D511-Y547 WeakPolarHBondContact OD1-CE2 3.49Å; D511-Y547 PolarHBondContact OD1-OH 2.95Å; F514-Y547 HydrophobicContact CB-CD2 3.45Å; F514-Y547 VanDerWaalsContact CB-CD2 3.45Å; F514-Y547 HydrophobicContact CB-CE2 3.86Å; F514-Y547 HydrophobicContact CB-CG 3.85Å; F514-Y547 HydrophobicContact CD1-CD2 4.29Å; F514-Y547 HydrophobicContact CG-CD2 4.17Å; C543-Y547 HydrophobicContact CB-CD2 4.33Å; C543-Y547 VanDerWaalsContact O-CD2 3.27Å; C543-Y547 WeakPolarHBondContact O-CD2 3.02Å; C543-Y547 PolarHBondContact O-N 2.96Å |
| 548 | S | 88.8 | Confident | 87.1 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 12% | 0.119 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -75.8 | 131.1 | 169.3 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | C544 F557 | C544-S548 VanDerWaalsContact O-CB 3.26Å; C544-S548 WeakPolarHBondContact O-CB 3.26Å; C544-S548 PolarHBondContact O-N 3.34Å; C544-S548 VanDerWaalsContact O-N 3.09Å; C544-S548 PolarHBondContact O-OG 3.25Å; S548-F557 WeakPolarHBondContact OG-CB 3.33Å; S548-F557 PolarHBondContact OG-N 3.09Å; S548-F557 PolarHBondContact OG-O 3.45Å |
| 549 | S | 84.1 | Confident | 87.1 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | trans | -71.1 | 156.5 | 175.3 | -160.1 | 0 | 0 | 0 | 0 | 111.9 | N3 D551 K554 V555 Q556 | N3-S549 PolarHBondContact ND2-O 3.02Å; S549-D551 VanDerWaalsContact C-N 3.33Å; S549-K554 VanDerWaalsContact CB-CB 3.5Å; S549-K554 WeakPolarHBondContact OG-CD 3.44Å; S549-V555 PolarHBondContact N-O 2.98Å; S549-Q556 PolarHBondContact O-NE2 3.45Å; S549-Q556 PolarHBondContact O-OE1 2.71Å | ||
| 550 | L | 77.1 | Confident | 86.8 | Confident | 138 Ų | 138 | 68 Ų | 68 | 72% | 0.723 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -78.1 | -22.9 | 169.5 | -67 | 171.8 | 0 | 0 | 0 | 112 | ||
| 551 | D | 78.1 | Confident | 86.1 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -82.6 | 119.3 | 175.7 | -178.3 | -5.4 | 0 | 0 | 0 | 109.6 | S549 R553 K554 Q556 | S549-D551 VanDerWaalsContact C-N 3.33Å; D551-R553 PolarHBondContact O-N 3.24Å; D551-R553 VanDerWaalsContact O-N 3.09Å; D551-R553 WeakPolarHBondContact OD1-CB 3.34Å; D551-R553 PolarHBondContact OD1-N 3.09Å; D551-K554 HydrophobicContact CB-CB 4.44Å; D551-K554 HydrophobicContact CB-CD 4.11Å; D551-K554 HydrophobicContact CB-CG 4.14Å; D551-K554 PolarHBondContact O-N 3.22Å; D551-Q556 PolarHBondContact O-NE2 3.5Å |
| 552 | P | 72.6 | Confident | 85.2 | Confident | 110 Ų | 110 | 65.4 Ų | 65.4 | 71% | 0.714 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.9 | 178.9 | 26.9 | -34.9 | 0 | 0 | 0 | 113.8 | K554 | P552-K554 VanDerWaalsContact C-N 3.34Š|
| 553 | R | 75.8 | Confident | 83.7 | Confident | 207 Ų | 207 | 63.2 Ų | 63.2 | 78% | 0.781 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.4 | 175.3 | -58.2 | 177.2 | -179 | -177.7 | 0.8 | 113.6 | D551 | D551-R553 PolarHBondContact O-N 3.24Å; D551-R553 VanDerWaalsContact O-N 3.09Å; D551-R553 WeakPolarHBondContact OD1-CB 3.34Å; D551-R553 PolarHBondContact OD1-N 3.09Å |
| 554 | K | 85.2 | Confident | 81.8 | Confident | 114 Ų | 114 | 68.7 Ų | 68.7 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -106.8 | 175.5 | 177.4 | -65.4 | -176.8 | -176 | -180 | 0 | 110.3 | P522 S549 D551 P552 Q556 | P522-K554 CarbonylContact O-C 3.59Å; P522-K554 VanDerWaalsContact O-CA 3.32Å; P522-K554 WeakPolarHBondContact O-CA 3.41Å; S549-K554 VanDerWaalsContact CB-CB 3.5Å; S549-K554 WeakPolarHBondContact OG-CD 3.44Å; D551-K554 HydrophobicContact CB-CB 4.44Å; D551-K554 HydrophobicContact CB-CD 4.11Å; D551-K554 HydrophobicContact CB-CG 4.14Å; D551-K554 PolarHBondContact O-N 3.22Å; P552-K554 VanDerWaalsContact C-N 3.34Å; K554-Q556 PolarHBondContact O-N 2.67Å |
| 555 | V | 88.3 | Confident | 81.4 | Confident | 13 Ų | 13 | 72 Ų | 72 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | trans | -52.2 | 130.6 | -177.6 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | A518 H521 P522 A524 V526 S549 F557 | A518-V555 HydrophobicContact CB-CG1 4.07Å; H521-V555 WeakPolarHBondContact O-CB 3.37Å; H521-V555 WeakPolarHBondContact O-CG2 3.48Å; P522-V555 PolarHBondContact O-N 3.23Å; A524-V555 WeakPolarHBondContact O-CA 3.43Å; V526-V555 HydrophobicContact CG2-CG2 3.94Å; S549-V555 PolarHBondContact N-O 2.98Å; V555-F557 HydrophobicContact CG1-CE2 4.33Å; V555-F557 HydrophobicContact CG2-CD2 4.24Å; V555-F557 HydrophobicContact CG2-CE2 3.68Å; V555-F557 HydrophobicContact CG2-CZ 4.09Å | ||
| 556 | Q | 89.3 | Confident | 81 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.6 | 177.3 | -64.7 | -59.8 | -35 | 0 | 0 | 109.5 | A524 V526 S549 D551 K554 Y558 | A524-Q556 PolarHBondContact O-N 2.83Å; V526-Q556 PolarHBondContact N-O 2.76Å; S549-Q556 PolarHBondContact O-NE2 3.45Å; S549-Q556 PolarHBondContact O-OE1 2.71Å; D551-Q556 PolarHBondContact O-NE2 3.5Å; K554-Q556 PolarHBondContact O-N 2.67Å; Q556-Y558 HydrophobicContact CB-CD2 4.37Å; Q556-Y558 HydrophobicContact CB-CE2 3.53Å |
| 557 | F | 90.6 | Very high | 80.5 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.8 | 174.9 | -67.9 | -93.9 | 0 | 0 | 0 | 110.6 | F514 I517 A518 V526 V528 C544 S548 V555 | F514-F557 AromaticContact CD1-CD1 3.71Å; F514-F557 HydrophobicContact CD1-CD1 3.71Å; F514-F557 AromaticContact CD1-CE1 3.65Å; F514-F557 HydrophobicContact CD1-CE1 3.65Å; F514-F557 HydrophobicContact CD1-CE2 4.47Å; F514-F557 HydrophobicContact CD1-CG 4.15Å; F514-F557 HydrophobicContact CD1-CZ 4.06Å; F514-F557 HydrophobicContact CE1-CB 4.5Å; F514-F557 AromaticContact CE1-CD1 3.58Å; F514-F557 HydrophobicContact CE1-CD1 3.58Å; F514-F557 AromaticContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CE1 3.93Å; F514-F557 HydrophobicContact CE1-CG 4.09Å; F514-F557 HydrophobicContact CG-CE1 4.5Å; I517-F557 HydrophobicContact CB-CE1 4.39Å; I517-F557 HydrophobicContact CB-CZ 4.35Å; I517-F557 HydrophobicContact CG2-CE1 3.82Å; I517-F557 HydrophobicContact CG2-CZ 3.98Å; A518-F557 HydrophobicContact CB-CE2 4.03Å; A518-F557 HydrophobicContact CB-CZ 4.08Å; V526-F557 HydrophobicContact CB-CD1 3.69Å; V526-F557 HydrophobicContact CB-CE1 3.9Å; V526-F557 HydrophobicContact CB-CG 4.32Å; V526-F557 HydrophobicContact CG1-CD1 3.7Å; V526-F557 HydrophobicContact CG1-CE1 3.74Å; V526-F557 HydrophobicContact CG2-CD1 4.27Å; V526-F557 HydrophobicContact CG2-CE1 4.03Å; V526-F557 HydrophobicContact CG2-CZ 4.38Å; V526-F557 WeakPolarHBondContact O-CA 3.48Å; V528-F557 HydrophobicContact CG2-CB 4.48Å; V528-F557 HydrophobicContact CG2-CD1 3.88Å; C544-F557 HydrophobicContact CB-CB 3.84Å; S548-F557 WeakPolarHBondContact OG-CB 3.33Å; S548-F557 PolarHBondContact OG-N 3.09Å; S548-F557 PolarHBondContact OG-O 3.45Å; V555-F557 HydrophobicContact CG1-CE2 4.33Å; V555-F557 HydrophobicContact CG2-CD2 4.24Å; V555-F557 HydrophobicContact CG2-CE2 3.68Å; V555-F557 HydrophobicContact CG2-CZ 4.09Å |
| 558 | Y | 87.8 | Confident | 79.9 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.2 | 178.9 | -60.6 | -85.5 | 0 | 0 | 0 | 109.7 | N7 Y395 A525 V526 V528 Q556 N560 | N7-Y558 VanDerWaalsContact OD1-CE1 3.3Å; N7-Y558 WeakPolarHBondContact OD1-CE1 3.32Å; Y395-Y558 HydrophobicContact CD1-CD2 4.24Å; Y395-Y558 AromaticContact CE1-CD2 3.61Å; Y395-Y558 HydrophobicContact CE1-CD2 3.61Å; Y395-Y558 HydrophobicContact CE1-CE2 4.45Å; Y395-Y558 AromaticContact CE1-CG 3.85Å; Y395-Y558 HydrophobicContact CE1-CG 3.85Å; A525-Y558 HydrophobicContact CB-CE2 3.91Å; V526-Y558 PolarHBondContact O-N 3.26Å; V528-Y558 PolarHBondContact N-O 3.47Å; Q556-Y558 HydrophobicContact CB-CD2 4.37Å; Q556-Y558 HydrophobicContact CB-CE2 3.53Å; Y558-N560 PolarHBondContact O-ND2 3.17Å |
| 559 | F | 88.6 | Confident | 79.3 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 18% | 0.18 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.3 | -179.9 | -176.4 | -106.7 | 0 | 0 | 0 | 111.7 | V528 L530 A537 L540 R541 C544 K561 | V528-F559 HydrophobicContact CB-CD2 4.46Å; V528-F559 HydrophobicContact CG1-CD2 4.2Å; L530-F559 HydrophobicContact CB-CE2 4.05Å; L530-F559 HydrophobicContact CB-CZ 4.22Å; L530-F559 HydrophobicContact CD2-CE2 4.43Å; L530-F559 HydrophobicContact CD2-CZ 4.1Å; A537-F559 HydrophobicContact CB-CE1 4.5Å; A537-F559 HydrophobicContact CB-CZ 3.98Å; L540-F559 HydrophobicContact CB-CD2 4.09Å; L540-F559 HydrophobicContact CB-CE2 3.6Å; L540-F559 HydrophobicContact CB-CZ 4.46Å; L540-F559 HydrophobicContact CD1-CE2 4.29Å; R541-F559 HydrophobicContact CB-CD1 3.96Å; R541-F559 HydrophobicContact CB-CE1 4.13Å; R541-F559 HydrophobicContact CB-CG 4.2Å; R541-F559 HydrophobicContact CG-CD1 4.14Å; R541-F559 HydrophobicContact CG-CG 4.5Å; C544-F559 HydrophobicContact CB-CB 4.2Å; F559-K561 HydrophobicContact CE1-CB 3.81Å; F559-K561 HydrophobicContact CE1-CG 4.46Å; F559-K561 HydrophobicContact CZ-CB 3.99Å; F559-K561 HydrophobicContact CZ-CG 4.3Å |
| 560 | N | 85.7 | Confident | 79 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 6% | 0.059 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.8 | 178.5 | -61.3 | -51.9 | 0 | 0 | 0 | 108.3 | V388 Y395 V528 F529 L530 Y558 | V388-N560 HydrophobicContact CG1-CB 3.69Å; Y395-N560 PolarHBondContact OH-ND2 3.07Å; V528-N560 PolarHBondContact O-N 3.18Å; V528-N560 VanDerWaalsContact O-O 3.13Å; F529-N560 CarbonylContact C-O 3.56Å; F529-N560 WeakPolarHBondContact CA-O 3.31Å; F529-N560 HydrophobicContact CD1-CB 3.61Å; F529-N560 HydrophobicContact CE1-CB 3.8Å; F529-N560 WeakPolarHBondContact CE1-ND2 3.38Å; F529-N560 HydrophobicContact CG-CB 4.27Å; L530-N560 PolarHBondContact N-O 3.4Å; Y558-N560 PolarHBondContact O-ND2 3.17Å |
| 561 | K | 80.7 | Confident | 79.1 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.8 | -179.6 | -165.8 | -153.8 | 168.5 | -158.2 | 0 | 109.8 | L530 A537 F559 T563 | L530-K561 HydrophobicContact CD2-CG 4.33Å; A537-K561 HydrophobicContact CB-CD 3.92Å; A537-K561 HydrophobicContact CB-CG 4.32Å; F559-K561 HydrophobicContact CE1-CB 3.81Å; F559-K561 HydrophobicContact CE1-CG 4.46Å; F559-K561 HydrophobicContact CZ-CB 3.99Å; F559-K561 HydrophobicContact CZ-CG 4.3Å; K561-T563 PolarHBondContact O-OG1 3.44Å |
| 562 | E | 71.8 | Confident | 79.2 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | trans | -66.6 | 135.5 | 166.7 | -65.8 | -54.6 | 144.4 | 0 | 0 | 110.5 | T387 S389 L530 C531 F564 | T387-E562 WeakPolarHBondContact CB-OE2 3.38Å; S389-E562 WeakPolarHBondContact CA-OE1 3.16Å; S389-E562 VanDerWaalsContact CB-OE1 3.25Å; S389-E562 WeakPolarHBondContact CB-OE1 3.46Å; S389-E562 PolarHBondContact N-OE1 3.14Å; S389-E562 PolarHBondContact OG-OE1 3.41Å; L530-E562 PolarHBondContact O-N 3.18Å; C531-E562 HydrophobicContact CB-CB 3.99Å; C531-E562 HydrophobicContact CB-CG 4.1Å; E562-F564 HydrophobicContact CB-CD2 4.25Å; E562-F564 HydrophobicContact CB-CE2 3.65Å; E562-F564 HydrophobicContact CB-CZ 4.19Å; E562-F564 HydrophobicContact CG-CE2 4.19Å; E562-F564 HydrophobicContact CG-CZ 4.38Å | ||
| 563 | T | 58.9 | Low | 79.7 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 64% | 0.644 | 28% | 0.279 | S | S | * | . | trans | -128 | 93.7 | 179.3 | -37 | 0 | 0 | 0 | 0 | 107.3 | K561 | K561-T563 PolarHBondContact O-OG1 3.44Š| ||
| 564 | F | 54.4 | Low | 80.1 | Confident | 124 Ų | 124 | 49.2 Ų | 49.2 | 54% | 0.544 | 23% | 0.233 | S | C | . | . | trans | -89.8 | 0 | 169.1 | -58 | -70.5 | 0 | 0 | 0 | 109.7 | Y324 T341 T387 C531 E562 | Y324-F564 HydrophobicContact CD1-CE1 4.36Å; Y324-F564 HydrophobicContact CG-CE1 4.35Å; T341-F564 HydrophobicContact CG2-CZ 4.3Å; T341-F564 VanDerWaalsContact OG1-CE1 3.32Å; T341-F564 WeakPolarHBondContact OG1-CE1 3.47Å; T341-F564 VanDerWaalsContact OG1-CZ 3.25Å; T341-F564 WeakPolarHBondContact OG1-CZ 3.43Å; T387-F564 HydrophobicContact CG2-CE1 4.25Å; C531-F564 WeakPolarHBondContact SG-CE2 3.36Å; E562-F564 HydrophobicContact CB-CD2 4.25Å; E562-F564 HydrophobicContact CB-CE2 3.65Å; E562-F564 HydrophobicContact CB-CZ 4.19Å; E562-F564 HydrophobicContact CG-CE2 4.19Å; E562-F564 HydrophobicContact CG-CZ 4.38Å |
Retrieved 564 of 564 residues in 257.6 ms
(Link to these results)