| 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 | 25.6 | Very low | 26.2 | Very low | 176 Ų | 176 | 78 Ų | 78 | 87% | 0.867 | 50% | 0.5 | S | S | * | . | 0 | 113.7 | 0 | -86.7 | -178.1 | -71.6 | 0 | 0 | 109.2 | A3 | M1-A3 PolarHBondContact O-N 3.28Å; M1-A3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | V | 24.1 | Very low | 27.3 | Very low | 39 Ų | 39 | 80.5 Ų | 80.5 | 24% | 0.236 | 52% | 0.521 | C | S | . | . | trans | -78.7 | 91.2 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | M856 K917 | V2-M856 WeakPolarHBondContact O-CE 3.34Å; V2-K917 HydrophobicContact CG1-CD 4.22Å; V2-K917 HydrophobicContact CG2-CD 4.23Å | ||
| 3 | A | 24.5 | Very low | 28.1 | Very low | 55 Ų | 55 | 77.9 Ų | 77.9 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | trans | -70.3 | 129.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | M1 H5 | M1-A3 PolarHBondContact O-N 3.28Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-H5 PolarHBondContact O-N 3.12Å | ||
| 4 | A | 24.2 | Very low | 29.1 | Very low | 24 Ų | 24 | 80.4 Ų | 80.4 | 20% | 0.198 | 51% | 0.512 | C | S | . | . | trans | -72.5 | 60.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | G6 P913 | A4-G6 PolarHBondContact O-N 3.31Å; A4-P913 HydrophobicContact CB-CB 3.95Å; A4-P913 HydrophobicContact CB-CG 3.89Å | ||
| 5 | H | 27.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 76.1 Ų | 76.1 | 53% | 0.532 | 48% | 0.482 | S | S | . | . | trans | -88.6 | 96.5 | 166.7 | -70.7 | -62 | 0 | 0 | 0 | 108 | A3 A7 S10 | A3-H5 PolarHBondContact O-N 3.12Å; H5-A7 PolarHBondContact O-N 2.88Å; H5-S10 PolarHBondContact CD2-OG 3.04Å; H5-S10 VanDerWaalsContact CD2-OG 3.23Å; H5-S10 PolarHBondContact ND1-OG 2.74Å | ||
| 6 | G | 23.3 | Very low | 31.3 | Very low | 50 Ų | 50 | 76.8 Ų | 76.8 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | trans | -60.6 | 129.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A4 H8 | A4-G6 PolarHBondContact O-N 3.31Å; G6-H8 PolarHBondContact O-N 3.08Å | ||
| 7 | A | 23 | Very low | 32 | Very low | 97 Ų | 97 | 77.7 Ų | 77.7 | 80% | 0.802 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 48.8 | 4.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | H5 | H5-A7 PolarHBondContact O-N 2.88Š|
| 8 | H | 24.6 | Very low | 33.1 | Very low | 91 Ų | 91 | 76.3 Ų | 76.3 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -120.4 | 114.7 | 163.5 | -74.1 | -74.7 | 0 | 0 | 0 | 107.7 | G6 S10 K701 | G6-H8 PolarHBondContact O-N 3.08Å; H8-S10 PolarHBondContact O-N 2.63Å; H8-K701 PolarHBondContact CD2-NZ 3.49Å; H8-K701 PolarHBondContact NE2-NZ 3.45Å |
| 9 | S | 24.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 76.1 Ų | 76.1 | 84% | 0.839 | 48% | 0.483 | S | S | * | . | trans | -49.8 | 62.8 | 154.8 | 58 | 0 | 0 | 0 | 0 | 112.2 | S11 | S9-S11 PolarHBondContact O-N 3.22Š| ||
| 10 | S | 27.2 | Very low | 35.4 | Very low | 49 Ų | 49 | 78.2 Ų | 78.2 | 34% | 0.343 | 49% | 0.49 | S | S | . | . | trans | -70.6 | 70.9 | 144.3 | 53.7 | 0 | 0 | 0 | 0 | 106.9 | H5 H8 | H5-S10 PolarHBondContact CD2-OG 3.04Å; H5-S10 VanDerWaalsContact CD2-OG 3.23Å; H5-S10 PolarHBondContact ND1-OG 2.74Å; H8-S10 PolarHBondContact O-N 2.63Å | ||
| 11 | S | 39.5 | Very low | 36.8 | Very low | 42 Ų | 42 | 78.1 Ų | 78.1 | 29% | 0.294 | 49% | 0.485 | S | S | . | . | trans | 65.4 | 54.7 | 133.2 | 46.9 | 0 | 0 | 0 | 0 | 118.7 | S9 A13 E14 | S9-S11 PolarHBondContact O-N 3.22Å; S11-A13 PolarHBondContact O-N 3.4Å; S11-E14 VanDerWaalsContact CB-CG 3.46Å; S11-E14 VanDerWaalsContact CB-OE1 3.25Å; S11-E14 WeakPolarHBondContact CB-OE1 3.43Å; S11-E14 PolarHBondContact O-N 3.1Å; S11-E14 VanDerWaalsContact OG-CD 3.29Å; S11-E14 PolarHBondContact OG-OE1 2.87Å | ||
| 12 | S | 39.5 | Very low | 39 | Very low | 108 Ų | 108 | 71 Ų | 71 | 76% | 0.755 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -9.2 | 148.1 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | W15 R25 | S12-W15 PolarHBondContact O-NE1 2.85Å; S12-R25 PolarHBondContact O-NH1 3.1Å |
| 13 | A | 37 | Very low | 41.5 | Very low | 47 Ų | 47 | 71.4 Ų | 71.4 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 12.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S11 W15 I16 | S11-A13 PolarHBondContact O-N 3.4Å; A13-W15 PolarHBondContact O-N 3.36Å; A13-W15 VanDerWaalsContact O-N 3.16Å; A13-I16 HydrophobicContact CB-CD1 4.26Å; A13-I16 WeakPolarHBondContact O-CG1 3.45Å; A13-I16 PolarHBondContact O-N 3.45Å |
| 14 | E | 42.3 | Very low | 43.9 | Very low | 112 Ų | 112 | 73 Ų | 73 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -64.9 | -14.8 | 176.1 | -117.6 | 167.9 | -133.6 | 0 | 0 | 113.9 | S11 I16 A17 | S11-E14 VanDerWaalsContact CB-CG 3.46Å; S11-E14 VanDerWaalsContact CB-OE1 3.25Å; S11-E14 WeakPolarHBondContact CB-OE1 3.43Å; S11-E14 PolarHBondContact O-N 3.1Å; S11-E14 VanDerWaalsContact OG-CD 3.29Å; S11-E14 PolarHBondContact OG-OE1 2.87Å; E14-I16 PolarHBondContact O-N 3.46Å; E14-A17 PolarHBondContact O-N 3.21Å |
| 15 | W | 46.3 | Very low | 46.2 | Very low | 17 Ų | 17 | 76.7 Ų | 76.7 | 6% | 0.064 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -58.8 | -27.8 | 174.9 | 57.2 | -86.7 | 0 | 0 | 0 | 112 | S12 A13 A17 C18 I21 I22 R25 Y49 L72 | S12-W15 PolarHBondContact O-NE1 2.85Å; A13-W15 PolarHBondContact O-N 3.36Å; A13-W15 VanDerWaalsContact O-N 3.16Å; W15-A17 PolarHBondContact O-N 3.39Å; W15-C18 PolarHBondContact O-N 3Å; W15-I21 HydrophobicContact CB-CB 4.19Å; W15-I21 HydrophobicContact CB-CG2 3.55Å; W15-I22 HydrophobicContact CE3-CG1 4.34Å; W15-I22 WeakPolarHBondContact O-CD1 3.45Å; W15-I22 WeakPolarHBondContact O-CG1 3.35Å; W15-R25 VanDerWaalsContact CD1-NH1 3.31Å; W15-R25 VanDerWaalsContact NE1-NH1 3.12Å; W15-Y49 AromaticContact CH2-CD2 3.27Å; W15-Y49 HydrophobicContact CH2-CD2 3.27Å; W15-Y49 AromaticContact CH2-CE2 3.38Å; W15-Y49 HydrophobicContact CH2-CE2 3.38Å; W15-Y49 HydrophobicContact CH2-CG 4.12Å; W15-Y49 AromaticContact CZ2-CD2 3.94Å; W15-Y49 HydrophobicContact CZ2-CD2 3.94Å; W15-Y49 AromaticContact CZ2-CE2 3.57Å; W15-Y49 HydrophobicContact CZ2-CE2 3.57Å; W15-Y49 HydrophobicContact CZ3-CD2 4.1Å; W15-L72 HydrophobicContact CH2-CD1 3.68Å; W15-L72 HydrophobicContact CZ3-CD1 4.28Å |
| 16 | I | 47.2 | Very low | 48.7 | Very low | 87 Ų | 87 | 71.3 Ų | 71.3 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -60.8 | -18.4 | 177.7 | -56.7 | 171.3 | 0 | 0 | 0 | 112 | A13 E14 Y49 | A13-I16 HydrophobicContact CB-CD1 4.26Å; A13-I16 WeakPolarHBondContact O-CG1 3.45Å; A13-I16 PolarHBondContact O-N 3.45Å; E14-I16 PolarHBondContact O-N 3.46Å; I16-Y49 HydrophobicContact CD1-CD1 3.72Å; I16-Y49 HydrophobicContact CD1-CE1 3.82Å; I16-Y49 HydrophobicContact CD1-CG 4.24Å; I16-Y49 HydrophobicContact CG1-CD1 4.5Å |
| 17 | A | 43.3 | Very low | 51.5 | Low | 92 Ų | 92 | 75.7 Ų | 75.7 | 76% | 0.76 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -102.1 | -12.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E14 W15 | E14-A17 PolarHBondContact O-N 3.21Å; W15-A17 PolarHBondContact O-N 3.39Å |
| 18 | C | 51.9 | Low | 54 | Low | 52 Ų | 52 | 78.8 Ų | 78.8 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | trans | -139.7 | 120.9 | -173.1 | -174.7 | 0 | 0 | 0 | 0 | 113.4 | W15 D20 I21 I22 | W15-C18 PolarHBondContact O-N 3Å; C18-D20 VanDerWaalsContact C-N 3.31Å; C18-D20 PolarHBondContact O-N 3.39Å; C18-I21 HydrophobicContact CB-CB 4.33Å; C18-I21 HydrophobicContact CB-CD1 3.77Å; C18-I21 HydrophobicContact CB-CG1 3.84Å; C18-I21 PolarHBondContact O-N 2.96Å; C18-I22 WeakPolarHBondContact O-CG1 3.41Å; C18-I22 PolarHBondContact O-N 3.31Å | ||
| 19 | L | 56.4 | Low | 56.5 | Low | 72 Ų | 72 | 75.3 Ų | 75.3 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -51.1 | -42 | -177.5 | -84.5 | 156.2 | 0 | 0 | 0 | 114.1 | I21 I22 F23 C44 L45 | L19-I21 VanDerWaalsContact C-N 3.31Å; L19-I21 PolarHBondContact O-N 2.94Å; L19-I22 PolarHBondContact O-N 3.33Å; L19-F23 WeakPolarHBondContact O-CB 3.37Å; L19-F23 PolarHBondContact O-N 3.45Å; L19-C44 HydrophobicContact CD2-CB 3.69Å; L19-L45 HydrophobicContact CD1-CD2 3.81Å; L19-L45 HydrophobicContact CD2-CD2 3.69Å; L19-L45 HydrophobicContact CD2-CG 4.04Å; L19-L45 HydrophobicContact CG-CD2 4.41Å |
| 20 | D | 56.8 | Low | 59 | Low | 118 Ų | 118 | 73.1 Ų | 73.1 | 63% | 0.631 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68 | -32.7 | -179.7 | -69.1 | -25.9 | 0 | 0 | 0 | 112.5 | C18 T24 | C18-D20 VanDerWaalsContact C-N 3.31Å; C18-D20 PolarHBondContact O-N 3.39Å; D20-T24 PolarHBondContact O-N 3.32Å; D20-T24 VanDerWaalsContact O-N 3.15Å; D20-T24 PolarHBondContact O-OG1 3.45Å |
| 21 | I | 64.6 | Low | 61.3 | Low | 77 Ų | 77 | 71.2 Ų | 71.2 | 40% | 0.395 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -76.1 | -40.4 | 178.1 | -50.4 | -178.9 | 0 | 0 | 0 | 109.8 | W15 C18 L19 F23 T24 R25 | W15-I21 HydrophobicContact CB-CB 4.19Å; W15-I21 HydrophobicContact CB-CG2 3.55Å; C18-I21 HydrophobicContact CB-CB 4.33Å; C18-I21 HydrophobicContact CB-CD1 3.77Å; C18-I21 HydrophobicContact CB-CG1 3.84Å; C18-I21 PolarHBondContact O-N 2.96Å; L19-I21 VanDerWaalsContact C-N 3.31Å; L19-I21 PolarHBondContact O-N 2.94Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-T24 PolarHBondContact O-N 3.12Å; I21-R25 PolarHBondContact O-N 2.76Å |
| 22 | I | 71.1 | Confident | 63.5 | Low | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.138 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 171.9 | -58.2 | 176.3 | 0 | 0 | 0 | 109.6 | W15 C18 L19 T24 R25 L26 C44 | W15-I22 HydrophobicContact CE3-CG1 4.34Å; W15-I22 WeakPolarHBondContact O-CD1 3.45Å; W15-I22 WeakPolarHBondContact O-CG1 3.35Å; C18-I22 WeakPolarHBondContact O-CG1 3.41Å; C18-I22 PolarHBondContact O-N 3.31Å; L19-I22 PolarHBondContact O-N 3.33Å; I22-T24 VanDerWaalsContact C-N 3.34Å; I22-T24 PolarHBondContact O-N 2.8Å; I22-R25 PolarHBondContact O-N 3.39Å; I22-R25 VanDerWaalsContact O-N 3.15Å; I22-L26 HydrophobicContact CG2-CD1 3.63Å; I22-L26 HydrophobicContact CG2-CG 3.85Å; I22-L26 WeakPolarHBondContact O-CG 3.16Å; I22-L26 PolarHBondContact O-N 2.8Å; I22-C44 HydrophobicContact CB-CB 4.39Å; I22-C44 HydrophobicContact CG2-CB 4Å |
| 23 | F | 76.9 | Confident | 65.1 | Low | 48 Ų | 48 | 71 Ų | 71 | 21% | 0.211 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.9 | -47.5 | -178.1 | -176.6 | -86.4 | 0 | 0 | 0 | 112 | L19 I21 R25 L26 K27 P37 L40 H41 | L19-F23 WeakPolarHBondContact O-CB 3.37Å; L19-F23 PolarHBondContact O-N 3.45Å; I21-F23 VanDerWaalsContact C-N 3.34Å; F23-R25 VanDerWaalsContact C-N 3.28Å; F23-R25 PolarHBondContact O-N 3.26Å; F23-L26 PolarHBondContact O-N 3Å; F23-K27 HydrophobicContact CE1-CD 4.39Å; F23-K27 WeakPolarHBondContact O-CB 3.33Å; F23-K27 PolarHBondContact O-N 3.18Å; F23-P37 WeakPolarHBondContact CE2-O 3.25Å; F23-P37 HydrophobicContact CZ-CB 4.05Å; F23-L40 HydrophobicContact CD2-CB 4.28Å; F23-L40 HydrophobicContact CD2-CD2 4.06Å; F23-L40 HydrophobicContact CD2-CG 4.06Å; F23-L40 HydrophobicContact CE2-CB 3.79Å; F23-L40 HydrophobicContact CE2-CD2 3.81Å; F23-L40 HydrophobicContact CE2-CG 3.96Å; F23-L40 HydrophobicContact CZ-CD2 4.03Å; F23-H41 HydrophobicContact CD2-CB 4.35Å; F23-H41 HydrophobicContact CE2-CB 4.35Å |
| 24 | T | 74.9 | Confident | 66.9 | Low | 87 Ų | 87 | 75.9 Ų | 75.9 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 179.8 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | D20 I21 I22 | D20-T24 PolarHBondContact O-N 3.32Å; D20-T24 VanDerWaalsContact O-N 3.15Å; D20-T24 PolarHBondContact O-OG1 3.45Å; I21-T24 PolarHBondContact O-N 3.12Å; I22-T24 VanDerWaalsContact C-N 3.34Å; I22-T24 PolarHBondContact O-N 2.8Å |
| 25 | R | 73.1 | Confident | 68.9 | Low | 103 Ų | 103 | 71.5 Ų | 71.5 | 39% | 0.389 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.8 | -42.9 | 179.9 | -171 | 164.4 | -178.8 | 152.5 | -6.6 | 113.1 | S12 W15 I21 I22 F23 K27 E28 | S12-R25 PolarHBondContact O-NH1 3.1Å; W15-R25 VanDerWaalsContact CD1-NH1 3.31Å; W15-R25 VanDerWaalsContact NE1-NH1 3.12Å; I21-R25 PolarHBondContact O-N 2.76Å; I22-R25 PolarHBondContact O-N 3.39Å; I22-R25 VanDerWaalsContact O-N 3.15Å; F23-R25 VanDerWaalsContact C-N 3.28Å; F23-R25 PolarHBondContact O-N 3.26Å; R25-K27 PolarHBondContact O-N 3.17Å; R25-E28 PolarHBondContact O-N 3.06Å |
| 26 | L | 79 | Confident | 70.8 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -29.7 | 178.9 | -65.6 | -172.8 | 0 | 0 | 0 | 111.7 | I22 F23 E28 V29 F32 L40 I43 L72 L124 | I22-L26 HydrophobicContact CG2-CD1 3.63Å; I22-L26 HydrophobicContact CG2-CG 3.85Å; I22-L26 WeakPolarHBondContact O-CG 3.16Å; I22-L26 PolarHBondContact O-N 2.8Å; F23-L26 PolarHBondContact O-N 3Å; L26-E28 PolarHBondContact O-N 3.26Å; L26-V29 HydrophobicContact CD2-CG2 4.45Å; L26-V29 WeakPolarHBondContact O-CB 3.27Å; L26-V29 PolarHBondContact O-N 3.43Å; L26-F32 HydrophobicContact CB-CD2 4.04Å; L26-F32 HydrophobicContact CB-CE2 4.45Å; L26-F32 HydrophobicContact CD2-CD2 4.48Å; L26-F32 HydrophobicContact CD2-CE2 4.14Å; L26-F32 WeakPolarHBondContact O-CB 3.49Å; L26-F32 WeakPolarHBondContact O-CD2 3.34Å; L26-L40 HydrophobicContact CB-CD1 3.72Å; L26-L40 HydrophobicContact CB-CD2 4.44Å; L26-L40 HydrophobicContact CB-CG 4.3Å; L26-L40 HydrophobicContact CD1-CD1 4.39Å; L26-I43 HydrophobicContact CD1-CG2 4.05Å; L26-L72 HydrophobicContact CD2-CD2 3.84Å; L26-L124 HydrophobicContact CD1-CD2 4.03Å; L26-L124 HydrophobicContact CD2-CD2 4.11Å |
| 27 | K | 81.4 | Confident | 72.6 | Confident | 141 Ų | 141 | 73.3 Ų | 73.3 | 61% | 0.613 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.7 | 176.4 | -169.7 | 179.5 | 176.5 | -172.7 | 0 | 113.1 | F23 R25 V29 L40 | F23-K27 HydrophobicContact CE1-CD 4.39Å; F23-K27 WeakPolarHBondContact O-CB 3.33Å; F23-K27 PolarHBondContact O-N 3.18Å; R25-K27 PolarHBondContact O-N 3.17Å; K27-V29 VanDerWaalsContact C-N 3.34Å; K27-L40 HydrophobicContact CB-CD2 3.81Å; K27-L40 HydrophobicContact CG-CD2 4.37Å |
| 28 | E | 75.5 | Confident | 74.6 | Confident | 163 Ų | 163 | 73.5 Ų | 73.5 | 76% | 0.762 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.9 | 178.5 | -61.7 | -179.6 | 167.7 | 0 | 0 | 113.2 | R25 L26 | R25-E28 PolarHBondContact O-N 3.06Å; L26-E28 PolarHBondContact O-N 3.26Å |
| 29 | V | 79.1 | Confident | 76.3 | Confident | 17 Ų | 17 | 71 Ų | 71 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -80.4 | 128.1 | 179 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | L26 K27 A31 F32 E33 L72 | L26-V29 HydrophobicContact CD2-CG2 4.45Å; L26-V29 WeakPolarHBondContact O-CB 3.27Å; L26-V29 PolarHBondContact O-N 3.43Å; K27-V29 VanDerWaalsContact C-N 3.34Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 HydrophobicContact CG1-CB 4.39Å; V29-A31 PolarHBondContact O-N 3.3Å; V29-F32 HydrophobicContact CB-CD2 3.67Å; V29-F32 HydrophobicContact CB-CE2 4.24Å; V29-F32 HydrophobicContact CB-CG 4.38Å; V29-F32 HydrophobicContact CG1-CD2 3.97Å; V29-F32 HydrophobicContact CG1-CE2 4.16Å; V29-F32 HydrophobicContact CG2-CD2 4.22Å; V29-F32 WeakPolarHBondContact O-CA 3.48Å; V29-F32 PolarHBondContact O-N 2.89Å; V29-E33 PolarHBondContact O-N 3.49Å; V29-L72 HydrophobicContact CG2-CD2 3.99Å |
| 30 | K | 75.5 | Confident | 77.7 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -54.3 | -41.7 | -175.2 | -166.5 | 169.7 | -175.7 | 174.6 | 0 | 113.9 | F32 E33 E405 | K30-F32 PolarHBondContact O-N 2.99Å; K30-F32 VanDerWaalsContact O-N 3.11Å; K30-E33 WeakPolarHBondContact O-CB 3.35Å; K30-E33 PolarHBondContact O-N 3.21Å; K30-E405 IonicContact NZ-OE2 3.81Å; K30-E405 PolarHBondContact NZ-OE2 2.98Å |
| 31 | A | 77.1 | Confident | 79 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -56 | -27 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | V29 G98 A100 L145 | V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 HydrophobicContact CG1-CB 4.39Å; V29-A31 PolarHBondContact O-N 3.3Å; A31-G98 WeakPolarHBondContact CB-O 3.45Å; A31-G98 PolarHBondContact N-O 3.44Å; A31-G98 VanDerWaalsContact N-O 3.17Å; A31-A100 HydrophobicContact CB-CB 4.17Å; A31-L145 HydrophobicContact CB-CD1 3.71Å; A31-L145 HydrophobicContact CB-CD2 4.13Å |
| 32 | F | 83.8 | Confident | 80.1 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -103.8 | -2.9 | -175.2 | -56.6 | -35.6 | 0 | 0 | 0 | 113.8 | L26 V29 K30 K34 F35 L40 I43 W68 A70 L124 | L26-F32 HydrophobicContact CB-CD2 4.04Å; L26-F32 HydrophobicContact CB-CE2 4.45Å; L26-F32 HydrophobicContact CD2-CD2 4.48Å; L26-F32 HydrophobicContact CD2-CE2 4.14Å; L26-F32 WeakPolarHBondContact O-CB 3.49Å; L26-F32 WeakPolarHBondContact O-CD2 3.34Å; V29-F32 HydrophobicContact CB-CD2 3.67Å; V29-F32 HydrophobicContact CB-CE2 4.24Å; V29-F32 HydrophobicContact CB-CG 4.38Å; V29-F32 HydrophobicContact CG1-CD2 3.97Å; V29-F32 HydrophobicContact CG1-CE2 4.16Å; V29-F32 HydrophobicContact CG2-CD2 4.22Å; V29-F32 WeakPolarHBondContact O-CA 3.48Å; V29-F32 PolarHBondContact O-N 2.89Å; K30-F32 PolarHBondContact O-N 2.99Å; K30-F32 VanDerWaalsContact O-N 3.11Å; F32-K34 PolarHBondContact O-N 3.25Å; F32-F35 HydrophobicContact CB-CD2 4.34Å; F32-F35 AromaticContact CD1-CD2 3.48Å; F32-F35 HydrophobicContact CD1-CD2 3.48Å; F32-F35 VanDerWaalsContact CD1-CD2 3.48Å; F32-F35 AromaticContact CD1-CE2 3.4Å; F32-F35 HydrophobicContact CD1-CE2 3.4Å; F32-F35 HydrophobicContact CD1-CG 4.31Å; F32-F35 HydrophobicContact CD1-CZ 4.15Å; F32-F35 HydrophobicContact CE1-CD2 4.2Å; F32-F35 AromaticContact CE1-CE2 3.72Å; F32-F35 HydrophobicContact CE1-CE2 3.72Å; F32-F35 HydrophobicContact CE1-CZ 4.47Å; F32-F35 HydrophobicContact CG-CD2 4.28Å; F32-F35 WeakPolarHBondContact O-CB 3.01Å; F32-F35 PolarHBondContact O-N 2.9Å; F32-L40 HydrophobicContact CB-CD1 3.87Å; F32-L40 HydrophobicContact CD2-CD1 3.98Å; F32-L40 HydrophobicContact CG-CD1 3.87Å; F32-I43 HydrophobicContact CD1-CD1 4.44Å; F32-I43 HydrophobicContact CE1-CD1 4.12Å; F32-W68 AromaticContact CE1-CH2 3.63Å; F32-W68 HydrophobicContact CE1-CH2 3.63Å; F32-W68 HydrophobicContact CE1-CZ3 4.31Å; F32-W68 AromaticContact CZ-CH2 3.81Å; F32-W68 HydrophobicContact CZ-CH2 3.81Å; F32-W68 HydrophobicContact CZ-CZ3 4.18Å; F32-A70 HydrophobicContact CE2-CB 4.31Å; F32-A70 HydrophobicContact CZ-CB 3.76Å; F32-L124 HydrophobicContact CE2-CD2 3.82Å; F32-L124 HydrophobicContact CZ-CD2 3.75Å |
| 33 | E | 74.8 | Confident | 80.8 | Confident | 144 Ų | 144 | 64.3 Ų | 64.3 | 67% | 0.673 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.8 | -176 | -173.8 | -179.6 | -170.3 | 0 | 0 | 112.3 | V29 K30 | V29-E33 PolarHBondContact O-N 3.49Å; K30-E33 WeakPolarHBondContact O-CB 3.35Å; K30-E33 PolarHBondContact O-N 3.21Å |
| 34 | K | 74.8 | Confident | 81.2 | Confident | 149 Ų | 149 | 62.5 Ų | 62.5 | 65% | 0.648 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 0.9 | 179.8 | -62.6 | -179.5 | -177.8 | 174.3 | 0 | 113.5 | F32 | F32-K34 PolarHBondContact O-N 3.25Š|
| 35 | F | 84.1 | Confident | 81.6 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -78.6 | 136.8 | -176.9 | -77.3 | 9.8 | 0 | 0 | 0 | 111.5 | F32 L39 I43 M142 L145 | F32-F35 HydrophobicContact CB-CD2 4.34Å; F32-F35 AromaticContact CD1-CD2 3.48Å; F32-F35 HydrophobicContact CD1-CD2 3.48Å; F32-F35 VanDerWaalsContact CD1-CD2 3.48Å; F32-F35 AromaticContact CD1-CE2 3.4Å; F32-F35 HydrophobicContact CD1-CE2 3.4Å; F32-F35 HydrophobicContact CD1-CG 4.31Å; F32-F35 HydrophobicContact CD1-CZ 4.15Å; F32-F35 HydrophobicContact CE1-CD2 4.2Å; F32-F35 AromaticContact CE1-CE2 3.72Å; F32-F35 HydrophobicContact CE1-CE2 3.72Å; F32-F35 HydrophobicContact CE1-CZ 4.47Å; F32-F35 HydrophobicContact CG-CD2 4.28Å; F32-F35 WeakPolarHBondContact O-CB 3.01Å; F32-F35 PolarHBondContact O-N 2.9Å; F35-L39 HydrophobicContact CB-CD2 4.04Å; F35-L39 HydrophobicContact CB-CG 4.42Å; F35-L39 HydrophobicContact CD1-CD2 3.96Å; F35-L39 HydrophobicContact CD2-CD2 3.44Å; F35-L39 VanDerWaalsContact CD2-CD2 3.44Å; F35-L39 HydrophobicContact CD2-CG 3.78Å; F35-L39 HydrophobicContact CE1-CD2 4.21Å; F35-L39 HydrophobicContact CE2-CD2 3.72Å; F35-L39 HydrophobicContact CE2-CG 4.22Å; F35-L39 HydrophobicContact CG-CD2 3.56Å; F35-L39 HydrophobicContact CG-CG 4.21Å; F35-L39 HydrophobicContact CZ-CD2 4.09Å; F35-I43 HydrophobicContact CD2-CD1 3.69Å; F35-I43 HydrophobicContact CE2-CD1 3.55Å; F35-M142 HydrophobicContact CE1-CG 4.19Å; F35-M142 HydrophobicContact CZ-CG 3.97Å; F35-L145 HydrophobicContact CE1-CB 4.27Å; F35-L145 HydrophobicContact CE1-CD2 3.82Å; F35-L145 HydrophobicContact CE2-CD2 4.4Å; F35-L145 HydrophobicContact CZ-CD2 3.42Å; F35-L145 VanDerWaalsContact CZ-CD2 3.42Å |
| 36 | H | 84.8 | Confident | 82.2 | Confident | 69 Ų | 69 | 59 Ų | 59 | 32% | 0.319 | 29% | 0.287 | S | S | . | . | trans | -60.8 | 139.2 | 171.6 | -172.2 | -81.8 | 0 | 0 | 0 | 110 | N38 L39 L40 Y141 | H36-N38 PolarHBondContact CE1-ND2 2.88Å; H36-N38 VanDerWaalsContact CE1-ND2 3.35Å; H36-N38 WeakPolarHBondContact ND1-CB 3.29Å; H36-N38 PolarHBondContact ND1-N 2.84Å; H36-N38 VanDerWaalsContact ND1-N 3.15Å; H36-N38 PolarHBondContact O-N 2.87Å; H36-N38 VanDerWaalsContact O-N 3.09Å; H36-L39 WeakPolarHBondContact O-CA 3.48Å; H36-L39 WeakPolarHBondContact O-CB 3.35Å; H36-L39 PolarHBondContact O-N 2.67Å; H36-L40 PolarHBondContact O-N 2.88Å; H36-Y141 HydrophobicContact CB-CD1 4.08Å; H36-Y141 HydrophobicContact CB-CD2 4.29Å; H36-Y141 HydrophobicContact CB-CE1 4.04Å; H36-Y141 HydrophobicContact CB-CE2 4.22Å; H36-Y141 HydrophobicContact CB-CG 4.21Å | ||
| 37 | P | 85.4 | Confident | 82.5 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -49.2 | -41.9 | -179 | -32.1 | 36.5 | 0 | 0 | 0 | 114 | F23 L39 L40 H41 | F23-P37 WeakPolarHBondContact CE2-O 3.25Å; F23-P37 HydrophobicContact CZ-CB 4.05Å; P37-L39 VanDerWaalsContact C-N 3.33Å; P37-L39 PolarHBondContact O-N 2.9Å; P37-L40 PolarHBondContact O-N 2.91Å; P37-H41 PolarHBondContact O-N 3.19Å |
| 38 | N | 85.8 | Confident | 82.7 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 176 | -63.8 | -14.3 | 0 | 0 | 0 | 113.5 | H36 Q42 Y138 | H36-N38 PolarHBondContact CE1-ND2 2.88Å; H36-N38 VanDerWaalsContact CE1-ND2 3.35Å; H36-N38 WeakPolarHBondContact ND1-CB 3.29Å; H36-N38 PolarHBondContact ND1-N 2.84Å; H36-N38 VanDerWaalsContact ND1-N 3.15Å; H36-N38 PolarHBondContact O-N 2.87Å; H36-N38 VanDerWaalsContact O-N 3.09Å; N38-Q42 WeakPolarHBondContact O-CG 3.31Å; N38-Q42 PolarHBondContact O-N 2.82Å; N38-Q42 VanDerWaalsContact O-N 3.15Å; N38-Y138 HydrophobicContact CB-CE1 4.48Å |
| 39 | L | 87.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -46.9 | 176.4 | 167.9 | 57.6 | 0 | 0 | 0 | 110.2 | F35 H36 P37 H41 Q42 I43 L134 Y138 M142 | F35-L39 HydrophobicContact CB-CD2 4.04Å; F35-L39 HydrophobicContact CB-CG 4.42Å; F35-L39 HydrophobicContact CD1-CD2 3.96Å; F35-L39 HydrophobicContact CD2-CD2 3.44Å; F35-L39 VanDerWaalsContact CD2-CD2 3.44Å; F35-L39 HydrophobicContact CD2-CG 3.78Å; F35-L39 HydrophobicContact CE1-CD2 4.21Å; F35-L39 HydrophobicContact CE2-CD2 3.72Å; F35-L39 HydrophobicContact CE2-CG 4.22Å; F35-L39 HydrophobicContact CG-CD2 3.56Å; F35-L39 HydrophobicContact CG-CG 4.21Å; F35-L39 HydrophobicContact CZ-CD2 4.09Å; H36-L39 WeakPolarHBondContact O-CA 3.48Å; H36-L39 WeakPolarHBondContact O-CB 3.35Å; H36-L39 PolarHBondContact O-N 2.67Å; P37-L39 VanDerWaalsContact C-N 3.33Å; P37-L39 PolarHBondContact O-N 2.9Å; L39-H41 VanDerWaalsContact C-N 3.29Å; L39-H41 PolarHBondContact O-N 3.11Å; L39-Q42 PolarHBondContact O-N 2.96Å; L39-I43 HydrophobicContact CD1-CD1 4.08Å; L39-I43 HydrophobicContact CD1-CG1 4.24Å; L39-I43 HydrophobicContact CG-CD1 4.13Å; L39-I43 WeakPolarHBondContact O-CG1 3.16Å; L39-I43 PolarHBondContact O-N 3.44Å; L39-L134 HydrophobicContact CD1-CB 4.34Å; L39-L134 HydrophobicContact CD1-CD2 4.08Å; L39-Y138 HydrophobicContact CB-CD1 4.05Å; L39-Y138 HydrophobicContact CB-CD2 4.25Å; L39-Y138 HydrophobicContact CB-CE1 4.34Å; L39-Y138 HydrophobicContact CB-CG 4.01Å; L39-Y138 HydrophobicContact CD1-CD2 3.66Å; L39-Y138 HydrophobicContact CD1-CE2 4.29Å; L39-Y138 HydrophobicContact CD1-CG 3.96Å; L39-Y138 HydrophobicContact CD2-CG 4.43Å; L39-Y138 HydrophobicContact CG-CD2 4.46Å; L39-Y138 HydrophobicContact CG-CG 4.35Å; L39-M142 HydrophobicContact CD1-CE 3.38Å; L39-M142 HydrophobicContact CD2-CE 3.73Å; L39-M142 HydrophobicContact CD2-CG 4Å; L39-M142 HydrophobicContact CG-CE 4.15Å |
| 40 | L | 86.3 | Confident | 83.5 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 178.8 | -168.2 | 63.8 | 0 | 0 | 0 | 111.8 | F23 L26 K27 F32 H36 P37 Q42 I43 C44 | F23-L40 HydrophobicContact CD2-CB 4.28Å; F23-L40 HydrophobicContact CD2-CD2 4.06Å; F23-L40 HydrophobicContact CD2-CG 4.06Å; F23-L40 HydrophobicContact CE2-CB 3.79Å; F23-L40 HydrophobicContact CE2-CD2 3.81Å; F23-L40 HydrophobicContact CE2-CG 3.96Å; F23-L40 HydrophobicContact CZ-CD2 4.03Å; L26-L40 HydrophobicContact CB-CD1 3.72Å; L26-L40 HydrophobicContact CB-CD2 4.44Å; L26-L40 HydrophobicContact CB-CG 4.3Å; L26-L40 HydrophobicContact CD1-CD1 4.39Å; K27-L40 HydrophobicContact CB-CD2 3.81Å; K27-L40 HydrophobicContact CG-CD2 4.37Å; F32-L40 HydrophobicContact CB-CD1 3.87Å; F32-L40 HydrophobicContact CD2-CD1 3.98Å; F32-L40 HydrophobicContact CG-CD1 3.87Å; H36-L40 PolarHBondContact O-N 2.88Å; P37-L40 PolarHBondContact O-N 2.91Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.07Å; L40-I43 WeakPolarHBondContact O-CB 3.33Å; L40-I43 PolarHBondContact O-N 3.02Å; L40-C44 PolarHBondContact O-N 2.92Å; L40-C44 PolarHBondContact O-SG 2.92Å |
| 41 | H | 84.4 | Confident | 84.1 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 174.1 | -170.8 | -68 | 0 | 0 | 0 | 112.5 | F23 P37 L39 I43 C44 L45 | F23-H41 HydrophobicContact CD2-CB 4.35Å; F23-H41 HydrophobicContact CE2-CB 4.35Å; P37-H41 PolarHBondContact O-N 3.19Å; L39-H41 VanDerWaalsContact C-N 3.29Å; L39-H41 PolarHBondContact O-N 3.11Å; H41-I43 VanDerWaalsContact C-N 3.35Å; H41-C44 PolarHBondContact O-N 3.24Å; H41-L45 WeakPolarHBondContact O-CG 3.05Å; H41-L45 PolarHBondContact O-N 2.96Å |
| 42 | Q | 86.9 | Confident | 84.7 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 174.8 | -64.6 | -61.7 | -63.5 | 0 | 0 | 111.7 | N38 L39 L40 C44 L45 C46 L134 Y138 | N38-Q42 WeakPolarHBondContact O-CG 3.31Å; N38-Q42 PolarHBondContact O-N 2.82Å; N38-Q42 VanDerWaalsContact O-N 3.15Å; L39-Q42 PolarHBondContact O-N 2.96Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.07Å; Q42-C44 VanDerWaalsContact C-N 3.32Å; Q42-C44 PolarHBondContact O-N 3.22Å; Q42-L45 WeakPolarHBondContact O-CB 3.4Å; Q42-L45 PolarHBondContact O-N 3.36Å; Q42-L45 VanDerWaalsContact O-N 3.1Å; Q42-C46 PolarHBondContact O-N 2.94Å; Q42-C46 PolarHBondContact O-SG 3.27Å; Q42-L134 HydrophobicContact CB-CD2 3.45Å; Q42-L134 VanDerWaalsContact CB-CD2 3.45Å; Q42-L134 HydrophobicContact CG-CD2 4.26Å; Q42-Y138 HydrophobicContact CG-CE2 4.32Å |
| 43 | I | 86.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 172.8 | -68.6 | 169.6 | 0 | 0 | 0 | 110.7 | L26 F32 F35 L39 L40 H41 L45 C46 G47 L124 I126 L134 | L26-I43 HydrophobicContact CD1-CG2 4.05Å; F32-I43 HydrophobicContact CD1-CD1 4.44Å; F32-I43 HydrophobicContact CE1-CD1 4.12Å; F35-I43 HydrophobicContact CD2-CD1 3.69Å; F35-I43 HydrophobicContact CE2-CD1 3.55Å; L39-I43 HydrophobicContact CD1-CD1 4.08Å; L39-I43 HydrophobicContact CD1-CG1 4.24Å; L39-I43 HydrophobicContact CG-CD1 4.13Å; L39-I43 WeakPolarHBondContact O-CG1 3.16Å; L39-I43 PolarHBondContact O-N 3.44Å; L40-I43 WeakPolarHBondContact O-CB 3.33Å; L40-I43 PolarHBondContact O-N 3.02Å; H41-I43 VanDerWaalsContact C-N 3.35Å; I43-L45 PolarHBondContact O-N 3.43Å; I43-C46 PolarHBondContact O-N 2.92Å; I43-G47 WeakPolarHBondContact O-CA 3.46Å; I43-G47 PolarHBondContact O-N 2.83Å; I43-L124 HydrophobicContact CG2-CD2 3.62Å; I43-I126 HydrophobicContact CB-CD1 4.43Å; I43-I126 HydrophobicContact CG1-CD1 4.02Å; I43-I126 HydrophobicContact CG2-CD1 3.9Å; I43-L134 HydrophobicContact CG1-CD1 3.91Å |
| 44 | C | 84.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -27.7 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | L19 I22 L40 H41 Q42 | L19-C44 HydrophobicContact CD2-CB 3.69Å; I22-C44 HydrophobicContact CB-CB 4.39Å; I22-C44 HydrophobicContact CG2-CB 4Å; L40-C44 PolarHBondContact O-N 2.92Å; L40-C44 PolarHBondContact O-SG 2.92Å; H41-C44 PolarHBondContact O-N 3.24Å; Q42-C44 VanDerWaalsContact C-N 3.32Å; Q42-C44 PolarHBondContact O-N 3.22Å |
| 45 | L | 82.9 | Confident | 86.2 | Confident | 95 Ų | 95 | 61 Ų | 61 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -82 | -29.8 | -179 | -71.6 | 167.1 | 0 | 0 | 0 | 113.6 | L19 H41 Q42 I43 | L19-L45 HydrophobicContact CD1-CD2 3.81Å; L19-L45 HydrophobicContact CD2-CD2 3.69Å; L19-L45 HydrophobicContact CD2-CG 4.04Å; L19-L45 HydrophobicContact CG-CD2 4.41Å; H41-L45 WeakPolarHBondContact O-CG 3.05Å; H41-L45 PolarHBondContact O-N 2.96Å; Q42-L45 WeakPolarHBondContact O-CB 3.4Å; Q42-L45 PolarHBondContact O-N 3.36Å; Q42-L45 VanDerWaalsContact O-N 3.1Å; I43-L45 PolarHBondContact O-N 3.43Å |
| 46 | C | 87.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -115.2 | -1.2 | -175.4 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | Q42 I43 Y48 D130 | Q42-C46 PolarHBondContact O-N 2.94Å; Q42-C46 PolarHBondContact O-SG 3.27Å; I43-C46 PolarHBondContact O-N 2.92Å; C46-Y48 WeakPolarHBondContact O-CD2 3.41Å; C46-Y48 WeakPolarHBondContact O-CE2 3.33Å; C46-D130 HydrophobicContact CB-CB 3.99Å |
| 47 | G | 84.9 | Confident | 87.2 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I43 | I43-G47 WeakPolarHBondContact O-CA 3.46Å; I43-G47 PolarHBondContact O-N 2.83Å |
| 48 | Y | 85.7 | Confident | 87.6 | Confident | 109 Ų | 109 | 60.9 Ų | 60.9 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 143.9 | 172.9 | -62.6 | -90.9 | 0 | 0 | 0 | 110.5 | C46 L124 R125 E127 | C46-Y48 WeakPolarHBondContact O-CD2 3.41Å; C46-Y48 WeakPolarHBondContact O-CE2 3.33Å; Y48-L124 CarbonylContact O-C 3.55Å; Y48-L124 WeakPolarHBondContact O-CA 3.34Å; Y48-R125 PolarHBondContact N-O 3.06Å; Y48-R125 PolarHBondContact O-N 3.44Å; Y48-E127 HydrophobicContact CD2-CG 4.35Å; Y48-E127 HydrophobicContact CE2-CG 3.92Å |
| 49 | Y | 85.7 | Confident | 88 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.6 | 173.8 | 176.9 | -110.2 | 0 | 0 | 0 | 110.7 | W15 I16 N51 L72 E122 | W15-Y49 AromaticContact CH2-CD2 3.27Å; W15-Y49 HydrophobicContact CH2-CD2 3.27Å; W15-Y49 AromaticContact CH2-CE2 3.38Å; W15-Y49 HydrophobicContact CH2-CE2 3.38Å; W15-Y49 HydrophobicContact CH2-CG 4.12Å; W15-Y49 AromaticContact CZ2-CD2 3.94Å; W15-Y49 HydrophobicContact CZ2-CD2 3.94Å; W15-Y49 AromaticContact CZ2-CE2 3.57Å; W15-Y49 HydrophobicContact CZ2-CE2 3.57Å; W15-Y49 HydrophobicContact CZ3-CD2 4.1Å; I16-Y49 HydrophobicContact CD1-CD1 3.72Å; I16-Y49 HydrophobicContact CD1-CE1 3.82Å; I16-Y49 HydrophobicContact CD1-CG 4.24Å; I16-Y49 HydrophobicContact CG1-CD1 4.5Å; Y49-N51 HydrophobicContact CE1-CB 3.88Å; Y49-L72 HydrophobicContact CD2-CD1 4.34Å; Y49-E122 HydrophobicContact CE2-CB 3.86Å; Y49-E122 HydrophobicContact CE2-CG 4.14Å; Y49-E122 WeakPolarHBondContact CE2-OE2 3.36Å; Y49-E122 VanDerWaalsContact OH-CG 3.3Å; Y49-E122 WeakPolarHBondContact OH-CG 3.3Å; Y49-E122 PolarHBondContact OH-OE2 3.1Å |
| 50 | E | 86.2 | Confident | 88.3 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.3 | 175 | -65.9 | -80.6 | -172 | 0 | 0 | 108.8 | L52 E122 L123 R125 | E50-L52 HydrophobicContact CB-CD2 4.49Å; E50-L52 HydrophobicContact CB-CG 4.41Å; E50-E122 CarbonylContact O-C 3.59Å; E50-E122 WeakPolarHBondContact O-CA 3.43Å; E50-L123 HydrophobicContact CB-CB 4.23Å; E50-L123 PolarHBondContact N-O 3.02Å; E50-L123 PolarHBondContact O-N 2.76Å; E50-R125 HydrophobicContact CG-CB 4.07Å; E50-R125 IonicContact OE1-CZ 3.32Å; E50-R125 IonicContact OE1-NE 3.93Å; E50-R125 IonicContact OE1-NH1 3.51Å; E50-R125 PolarHBondContact OE1-NH1 3.39Å |
| 51 | N | 87.5 | Confident | 88.4 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 106.4 | 171.7 | -175.9 | -0.7 | 0 | 0 | 0 | 108.3 | Y49 | Y49-N51 HydrophobicContact CE1-CB 3.88Å |
| 52 | L | 88.7 | Confident | 88.7 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.9 | -170.7 | -56.7 | 179.5 | 0 | 0 | 0 | 110.4 | E50 I56 L58 T117 S120 S121 L123 | E50-L52 HydrophobicContact CB-CD2 4.49Å; E50-L52 HydrophobicContact CB-CG 4.41Å; L52-I56 HydrophobicContact CD1-CG2 4.46Å; L52-I56 HydrophobicContact CD2-CG2 4.42Å; L52-L58 HydrophobicContact CD1-CD1 3.67Å; L52-L58 HydrophobicContact CD1-CG 4.05Å; L52-T117 HydrophobicContact CB-CG2 3.86Å; L52-T117 HydrophobicContact CD1-CG2 3.94Å; L52-S120 CarbonylContact O-C 3.47Å; L52-S120 VanDerWaalsContact O-CA 3.3Å; L52-S120 WeakPolarHBondContact O-CA 3.26Å; L52-S121 PolarHBondContact N-O 3.39Å; L52-S121 PolarHBondContact O-N 3.01Å; L52-L123 HydrophobicContact CD1-CD1 3.73Å |
| 53 | E | 87.6 | Confident | 88.9 | Confident | 148 Ų | 148 | 63 Ų | 63 | 69% | 0.692 | 33% | 0.331 | S | S | * | . | trans | -72.8 | 167.4 | 172.4 | -64.4 | -173.1 | 175.3 | 0 | 0 | 111.8 | I56 T117 | E53-I56 HydrophobicContact CB-CG1 4.41Å; E53-I56 VanDerWaalsContact O-CG1 3.29Å; E53-I56 WeakPolarHBondContact O-CG1 3.46Å; E53-T117 PolarHBondContact O-OG1 3.3Å | ||
| 54 | K | 88.4 | Confident | 89.2 | Confident | 157 Ų | 157 | 69.1 Ų | 69.1 | 68% | 0.683 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 135.1 | 174.7 | 175.2 | 171.1 | -180 | 174.9 | 0 | 111.9 | R118 | K54-R118 VanDerWaalsContact CD-O 3.27Å; K54-R118 WeakPolarHBondContact CD-O 3.38Å; K54-R118 WeakPolarHBondContact CE-O 3.48Å; K54-R118 VanDerWaalsContact CG-O 3.31Å; K54-R118 WeakPolarHBondContact CG-O 3.46Å |
| 55 | G | 90.5 | Very high | 89.4 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 49% | 0.485 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 4.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | T117 | G55-T117 WeakPolarHBondContact CA-O 3.42Å; G55-T117 PolarHBondContact N-O 3.07Å; G55-T117 PolarHBondContact N-OG1 3.04Å |
| 56 | I | 94.9 | Very high | 89.9 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | trans | -75 | 127.5 | 177.1 | -62.2 | -64.8 | 0 | 0 | 0 | 109.8 | L52 E53 V116 T117 | L52-I56 HydrophobicContact CD1-CG2 4.46Å; L52-I56 HydrophobicContact CD2-CG2 4.42Å; E53-I56 HydrophobicContact CB-CG1 4.41Å; E53-I56 VanDerWaalsContact O-CG1 3.29Å; E53-I56 WeakPolarHBondContact O-CG1 3.46Å; I56-V116 CarbonylContact O-C 3.49Å; I56-V116 VanDerWaalsContact O-CA 3.32Å; I56-V116 WeakPolarHBondContact O-CA 3.46Å; I56-T117 HydrophobicContact CB-CG2 4.42Å; I56-T117 PolarHBondContact N-OG1 2.94Å; I56-T117 PolarHBondContact O-N 3.09Å; I56-T117 PolarHBondContact O-OG1 3.26Å | ||
| 57 | T | 94.8 | Very high | 90.2 | Very high | 50 Ų | 50 | 68 Ų | 68 | 31% | 0.307 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.6 | 174.2 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | F59 R60 T114 I115 V116 | T57-F59 WeakPolarHBondContact CG2-O 3.38Å; T57-R60 HydrophobicContact CG2-CG 4.01Å; T57-T114 HydrophobicContact CG2-CG2 3.81Å; T57-I115 WeakPolarHBondContact CA-O 3.39Å; T57-V116 HydrophobicContact CG2-CG2 4.24Å |
| 58 | L | 93.1 | Very high | 90.7 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -45.1 | 178.2 | -80.7 | 68.6 | 0 | 0 | 0 | 111.2 | L52 Y69 L76 F101 I115 T117 L123 | L52-L58 HydrophobicContact CD1-CD1 3.67Å; L52-L58 HydrophobicContact CD1-CG 4.05Å; L58-Y69 HydrophobicContact CD2-CD1 4.1Å; L58-Y69 HydrophobicContact CD2-CE1 3.99Å; L58-Y69 HydrophobicContact CD2-CE2 4.45Å; L58-Y69 HydrophobicContact CD2-CG 4.35Å; L58-L76 HydrophobicContact CD1-CD2 3.74Å; L58-L76 HydrophobicContact CD2-CD2 3.99Å; L58-F101 HydrophobicContact CD2-CE2 3.97Å; L58-F101 HydrophobicContact CD2-CZ 3.79Å; L58-I115 PolarHBondContact N-O 3.27Å; L58-T117 HydrophobicContact CD1-CG2 3.85Å; L58-L123 HydrophobicContact CD2-CD1 3.66Å; L58-L123 HydrophobicContact CG-CD1 4.46Å |
| 59 | F | 93.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 10% | 0.096 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 159.4 | 176.1 | 50.3 | -103.1 | 0 | 0 | 0 | 109.7 | T57 Y69 F101 R111 A113 T114 I115 | T57-F59 WeakPolarHBondContact CG2-O 3.38Å; F59-Y69 HydrophobicContact CD1-CE2 4.33Å; F59-Y69 HydrophobicContact CE1-CD2 4.31Å; F59-Y69 AromaticContact CE1-CE2 3.93Å; F59-Y69 HydrophobicContact CE1-CE2 3.93Å; F59-F101 HydrophobicContact CE1-CD2 4.39Å; F59-F101 HydrophobicContact CE1-CE2 4.05Å; F59-F101 HydrophobicContact CZ-CD2 4.15Å; F59-F101 HydrophobicContact CZ-CE2 4.16Å; F59-R111 HydrophobicContact CB-CG 4.35Å; F59-R111 HydrophobicContact CD2-CB 3.83Å; F59-R111 HydrophobicContact CD2-CG 3.46Å; F59-R111 VanDerWaalsContact CD2-CG 3.46Å; F59-R111 HydrophobicContact CE2-CB 4.08Å; F59-R111 HydrophobicContact CE2-CG 3.81Å; F59-R111 HydrophobicContact CG-CG 3.94Å; F59-A113 WeakPolarHBondContact CE2-O 3.26Å; F59-T114 WeakPolarHBondContact O-CA 3.33Å; F59-I115 HydrophobicContact CE1-CD1 4.35Å; F59-I115 HydrophobicContact CE2-CB 4.16Å; F59-I115 HydrophobicContact CE2-CD1 3.77Å; F59-I115 HydrophobicContact CE2-CG1 3.68Å; F59-I115 HydrophobicContact CZ-CB 4.21Å; F59-I115 HydrophobicContact CZ-CD1 3.43Å; F59-I115 VanDerWaalsContact CZ-CD1 3.43Å; F59-I115 HydrophobicContact CZ-CG1 3.82Å; F59-I115 PolarHBondContact O-N 2.83Å |
| 60 | R | 93.4 | Very high | 91.3 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | trans | -101.7 | 156.7 | 176 | -65.4 | -178 | 176.6 | 79.4 | 2.6 | 111.4 | T57 G62 D63 R111 T114 | T57-R60 HydrophobicContact CG2-CG 4.01Å; R60-G62 PolarHBondContact O-N 3.07Å; R60-D63 WeakPolarHBondContact CB-OD2 3.44Å; R60-D63 PolarHBondContact N-OD2 3.18Å; R60-D63 VanDerWaalsContact O-CB 3.3Å; R60-D63 WeakPolarHBondContact O-CB 3.47Å; R60-D63 PolarHBondContact O-N 3.15Å; R60-D63 VanDerWaalsContact O-N 3.14Å; R60-R111 WeakPolarHBondContact O-CB 3.43Å; R60-T114 WeakPolarHBondContact CA-OG1 3.28Å; R60-T114 HydrophobicContact CB-CG2 4.46Å; R60-T114 HydrophobicContact CG-CG2 4.11Å | ||
| 61 | Q | 89.9 | Confident | 91.5 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.9 | 170.5 | 177.1 | 177.5 | -22.3 | 0 | 0 | 109.8 | D63 S81 H86 R111 A113 T114 | Q61-D63 VanDerWaalsContact C-N 3.35Å; Q61-S81 PolarHBondContact NE2-O 2.94Å; Q61-S81 PolarHBondContact OE1-O 3.44Å; Q61-H86 PolarHBondContact O-CE1 3.42Å; Q61-H86 VanDerWaalsContact O-CE1 3.23Å; Q61-R111 CarbonylContact C-O 3.58Å; Q61-R111 WeakPolarHBondContact CA-O 3.4Å; Q61-A113 PolarHBondContact N-O 3.18Å; Q61-T114 PolarHBondContact N-OG1 3.36Å |
| 62 | G | 89.7 | Confident | 91.4 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -14.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R60 R111 | R60-G62 PolarHBondContact O-N 3.07Å; G62-R111 PolarHBondContact N-O 3.34Å |
| 63 | D | 92.1 | Very high | 91.2 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 35% | 0.353 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 152 | 175.3 | -68.9 | -12.4 | 0 | 0 | 0 | 111 | R60 Q61 G65 P110 R111 | R60-D63 WeakPolarHBondContact CB-OD2 3.44Å; R60-D63 PolarHBondContact N-OD2 3.18Å; R60-D63 VanDerWaalsContact O-CB 3.3Å; R60-D63 WeakPolarHBondContact O-CB 3.47Å; R60-D63 PolarHBondContact O-N 3.15Å; R60-D63 VanDerWaalsContact O-N 3.14Å; Q61-D63 VanDerWaalsContact C-N 3.35Å; D63-G65 PolarHBondContact O-N 3.32Å; D63-P110 WeakPolarHBondContact O-CA 3.44Å; D63-R111 HydrophobicContact CB-CG 4.35Å; D63-R111 WeakPolarHBondContact O-CG 3.48Å; D63-R111 PolarHBondContact O-N 3.13Å |
| 64 | I | 91.8 | Very high | 91 | Very high | 130 Ų | 130 | 46.2 Ų | 46.2 | 67% | 0.667 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 118.7 | 167.7 | -59.4 | 177.8 | 0 | 0 | 0 | 107.8 | ||
| 65 | G | 89 | Confident | 91 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 140.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D63 I105 R111 | D63-G65 PolarHBondContact O-N 3.32Å; G65-I105 VanDerWaalsContact O-CG2 3.3Å; G65-I105 WeakPolarHBondContact O-CG2 3.23Å; G65-R111 VanDerWaalsContact CA-CZ 3.44Å; G65-R111 VanDerWaalsContact CA-NE 3.33Å |
| 66 | T | 92.4 | Very high | 91.1 | Very high | 83 Ų | 83 | 37 Ų | 37 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | trans | -115.4 | -15.5 | 179.1 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | Q128 | T66-Q128 VanDerWaalsContact O-CB 3.28Å; T66-Q128 WeakPolarHBondContact O-CB 3.38Å; T66-Q128 PolarHBondContact O-N 3.32Å | ||
| 67 | N | 94.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.6 | -170.3 | -56.2 | -63.8 | 0 | 0 | 0 | 112.5 | Y69 R111 R125 I126 | N67-Y69 HydrophobicContact CB-CD2 4.44Å; N67-Y69 HydrophobicContact CB-CE1 4.37Å; N67-Y69 HydrophobicContact CB-CE2 3.64Å; N67-Y69 PolarHBondContact ND2-OH 3.19Å; N67-Y69 WeakPolarHBondContact O-CE2 3.38Å; N67-R111 PolarHBondContact O-NH2 3.35Å; N67-R125 HydrophobicContact CB-CG 3.68Å; N67-I126 CarbonylContact C-O 3.41Å; N67-I126 VanDerWaalsContact CA-O 3.29Å; N67-I126 WeakPolarHBondContact CA-O 3.46Å |
| 68 | W | 94.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 148.6 | 166.6 | 176.5 | 87.9 | 0 | 0 | 0 | 109.3 | F32 A70 A100 F101 I105 R125 I126 F131 L145 | F32-W68 AromaticContact CE1-CH2 3.63Å; F32-W68 HydrophobicContact CE1-CH2 3.63Å; F32-W68 HydrophobicContact CE1-CZ3 4.31Å; F32-W68 AromaticContact CZ-CH2 3.81Å; F32-W68 HydrophobicContact CZ-CH2 3.81Å; F32-W68 HydrophobicContact CZ-CZ3 4.18Å; W68-A70 HydrophobicContact CH2-CB 3.82Å; W68-A70 HydrophobicContact CZ3-CB 4.04Å; W68-A100 HydrophobicContact CH2-CB 3.94Å; W68-A100 HydrophobicContact CZ2-CB 3.33Å; W68-F101 VanDerWaalsContact CD1-O 3.3Å; W68-I105 HydrophobicContact CB-CD1 3.83Å; W68-R125 CarbonylContact O-C 3.53Å; W68-R125 WeakPolarHBondContact O-CA 3.43Å; W68-I126 HydrophobicContact CE3-CB 4.15Å; W68-I126 HydrophobicContact CE3-CD1 3.62Å; W68-I126 HydrophobicContact CE3-CG1 3.86Å; W68-I126 HydrophobicContact CZ3-CD1 3.63Å; W68-I126 HydrophobicContact CZ3-CG1 4.15Å; W68-I126 PolarHBondContact N-O 2.7Å; W68-I126 PolarHBondContact O-N 3.32Å; W68-F131 HydrophobicContact CB-CB 4.41Å; W68-F131 HydrophobicContact CB-CD1 3.88Å; W68-F131 HydrophobicContact CB-CD2 3.95Å; W68-F131 HydrophobicContact CB-CE1 4.08Å; W68-F131 HydrophobicContact CB-CE2 4.17Å; W68-F131 HydrophobicContact CB-CG 3.81Å; W68-F131 HydrophobicContact CB-CZ 4.23Å; W68-F131 AromaticContact CD1-CE1 3.69Å; W68-F131 AromaticContact CD1-CE2 3.87Å; W68-F131 AromaticContact CD1-CZ 3.41Å; W68-F131 VanDerWaalsContact CD1-CZ 3.41Å; W68-F131 AromaticContact CD2-CD2 3.93Å; W68-F131 HydrophobicContact CD2-CD2 3.93Å; W68-F131 AromaticContact CD2-CE2 3.5Å; W68-F131 HydrophobicContact CD2-CE2 3.5Å; W68-F131 VanDerWaalsContact CD2-CE2 3.5Å; W68-F131 AromaticContact CD2-CZ 3.88Å; W68-F131 HydrophobicContact CD2-CZ 3.88Å; W68-F131 AromaticContact CE2-CE2 3.71Å; W68-F131 AromaticContact CE2-CZ 3.84Å; W68-F131 HydrophobicContact CE3-CD2 4.16Å; W68-F131 HydrophobicContact CE3-CE2 4.01Å; W68-F131 HydrophobicContact CG-CD1 4.14Å; W68-F131 AromaticContact CG-CD2 3.87Å; W68-F131 HydrophobicContact CG-CD2 3.87Å; W68-F131 AromaticContact CG-CE1 3.87Å; W68-F131 HydrophobicContact CG-CE1 3.87Å; W68-F131 AromaticContact CG-CE2 3.59Å; W68-F131 HydrophobicContact CG-CE2 3.59Å; W68-F131 HydrophobicContact CG-CG 4.14Å; W68-F131 AromaticContact CG-CZ 3.58Å; W68-F131 HydrophobicContact CG-CZ 3.58Å; W68-F131 HydrophobicContact CZ2-CE2 4.32Å; W68-F131 AromaticContact NE1-CE2 3.94Å; W68-F131 AromaticContact NE1-CZ 3.57Å; W68-L145 HydrophobicContact CZ2-CD2 4.18Å |
| 69 | Y | 94.1 | Very high | 90.3 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.6 | -171.8 | -59.3 | -94.4 | 0 | 0 | 0 | 112.1 | L58 F59 N67 A100 F101 L123 L124 R125 | L58-Y69 HydrophobicContact CD2-CD1 4.1Å; L58-Y69 HydrophobicContact CD2-CE1 3.99Å; L58-Y69 HydrophobicContact CD2-CE2 4.45Å; L58-Y69 HydrophobicContact CD2-CG 4.35Å; F59-Y69 HydrophobicContact CD1-CE2 4.33Å; F59-Y69 HydrophobicContact CE1-CD2 4.31Å; F59-Y69 AromaticContact CE1-CE2 3.93Å; F59-Y69 HydrophobicContact CE1-CE2 3.93Å; N67-Y69 HydrophobicContact CB-CD2 4.44Å; N67-Y69 HydrophobicContact CB-CE1 4.37Å; N67-Y69 HydrophobicContact CB-CE2 3.64Å; N67-Y69 PolarHBondContact ND2-OH 3.19Å; N67-Y69 WeakPolarHBondContact O-CE2 3.38Å; Y69-A100 CarbonylContact O-C 3.54Å; Y69-A100 VanDerWaalsContact O-CA 3.25Å; Y69-A100 WeakPolarHBondContact O-CA 3.29Å; Y69-A100 WeakPolarHBondContact O-CB 3.33Å; Y69-F101 VanDerWaalsContact CB-CZ 3.49Å; Y69-F101 HydrophobicContact CD2-CD2 4.18Å; Y69-F101 AromaticContact CD2-CE2 3.65Å; Y69-F101 HydrophobicContact CD2-CE2 3.65Å; Y69-F101 HydrophobicContact CD2-CZ 4.21Å; Y69-F101 AromaticContact CG-CE2 3.84Å; Y69-F101 HydrophobicContact CG-CE2 3.84Å; Y69-F101 AromaticContact CG-CZ 3.91Å; Y69-F101 HydrophobicContact CG-CZ 3.91Å; Y69-F101 PolarHBondContact N-O 3.34Å; Y69-F101 PolarHBondContact O-N 2.99Å; Y69-L123 HydrophobicContact CD1-CD1 4.09Å; Y69-L124 CarbonylContact C-O 3.59Å; Y69-L124 VanDerWaalsContact CA-O 3.24Å; Y69-L124 WeakPolarHBondContact CA-O 3.07Å; Y69-R125 HydrophobicContact CD1-CB 4.04Å; Y69-R125 HydrophobicContact CD1-CG 3.97Å; Y69-R125 HydrophobicContact CE1-CB 4.02Å; Y69-R125 HydrophobicContact CE1-CG 3.55Å |
| 70 | A | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F32 W68 L72 A100 L123 L124 | F32-A70 HydrophobicContact CE2-CB 4.31Å; F32-A70 HydrophobicContact CZ-CB 3.76Å; W68-A70 HydrophobicContact CH2-CB 3.82Å; W68-A70 HydrophobicContact CZ3-CB 4.04Å; A70-L72 PolarHBondContact O-N 2.77Å; A70-A100 HydrophobicContact CB-CB 4.19Å; A70-L123 CarbonylContact O-C 3.54Å; A70-L123 WeakPolarHBondContact O-CA 3.46Å; A70-L124 HydrophobicContact CB-CB 4.32Å; A70-L124 PolarHBondContact N-O 3.29Å; A70-L124 PolarHBondContact O-N 3.41Å |
| 71 | V | 88.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.1 | -177 | -172.5 | 0 | 0 | 0 | 0 | 110 | A73 L76 G96 I97 G98 T99 F101 L123 | V71-A73 WeakPolarHBondContact CG1-O 3.37Å; V71-L76 HydrophobicContact CG1-CD1 4.12Å; V71-L76 HydrophobicContact CG2-CD1 3.53Å; V71-G96 WeakPolarHBondContact CB-O 3.23Å; V71-I97 HydrophobicContact CG1-CG1 4.45Å; V71-G98 PolarHBondContact O-N 2.85Å; V71-T99 PolarHBondContact N-O 2.62Å; V71-F101 HydrophobicContact CG2-CD1 4.48Å; V71-F101 HydrophobicContact CG2-CE1 3.88Å; V71-L123 HydrophobicContact CB-CD2 4.12Å; V71-L123 HydrophobicContact CG1-CD2 4.06Å; V71-L123 HydrophobicContact CG2-CD2 3.88Å |
| 72 | L | 85.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -37.8 | 176.4 | -54.4 | 179.3 | 0 | 0 | 0 | 111.4 | W15 L26 V29 Y49 A70 I97 E122 L124 | W15-L72 HydrophobicContact CH2-CD1 3.68Å; W15-L72 HydrophobicContact CZ3-CD1 4.28Å; L26-L72 HydrophobicContact CD2-CD2 3.84Å; V29-L72 HydrophobicContact CG2-CD2 3.99Å; Y49-L72 HydrophobicContact CD2-CD1 4.34Å; A70-L72 PolarHBondContact O-N 2.77Å; L72-I97 WeakPolarHBondContact O-CG2 3.32Å; L72-E122 WeakPolarHBondContact CA-O 3.37Å; L72-E122 HydrophobicContact CB-CB 4.24Å; L72-E122 WeakPolarHBondContact CB-O 3.47Å; L72-E122 PolarHBondContact N-O 3.39Å; L72-L124 HydrophobicContact CD1-CB 4.18Å; L72-L124 HydrophobicContact CD2-CB 4.22Å; L72-L124 HydrophobicContact CG-CB 4.23Å |
| 73 | A | 84.1 | Confident | 87.8 | Confident | 23 Ų | 23 | 34.1 Ų | 34.1 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 155.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V71 S121 E122 | V71-A73 WeakPolarHBondContact CG1-O 3.37Å; A73-S121 CarbonylContact O-C 3.52Å; A73-S121 VanDerWaalsContact O-CA 3.29Å; A73-S121 WeakPolarHBondContact O-CA 3.3Å; A73-E122 HydrophobicContact CB-CB 3.75Å; A73-E122 HydrophobicContact CB-CG 3.86Å; A73-E122 PolarHBondContact N-O 3.08Å; A73-E122 PolarHBondContact O-N 2.92Å |
| 74 | G | 84.6 | Confident | 87 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 79.8 | -163 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E119 | G74-E119 VanDerWaalsContact C-OE1 3.26Å; G74-E119 WeakPolarHBondContact CA-OE1 3.3Å |
| 75 | S | 88 | Confident | 86.6 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | trans | -148.4 | 155.2 | -177.9 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | L95 R118 E119 S121 | S75-L95 CarbonylContact C-O 3.6Å; S75-L95 WeakPolarHBondContact CA-O 3.45Å; S75-R118 WeakPolarHBondContact O-CB 3.49Å; S75-R118 PolarHBondContact O-N 2.95Å; S75-E119 WeakPolarHBondContact CB-OE1 3.35Å; S75-E119 PolarHBondContact N-OE1 2.76Å; S75-E119 VanDerWaalsContact N-OE1 3.09Å; S75-E119 VanDerWaalsContact OG-CD 3.3Å; S75-E119 PolarHBondContact OG-OE1 3.48Å; S75-S121 PolarHBondContact N-OG 2.94Å; S75-S121 PolarHBondContact O-OG 3.21Å | ||
| 76 | L | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.4 | -176.8 | -54.5 | 91 | 0 | 0 | 0 | 111.4 | L58 V71 T94 L95 F101 I115 V116 T117 L123 | L58-L76 HydrophobicContact CD1-CD2 3.74Å; L58-L76 HydrophobicContact CD2-CD2 3.99Å; V71-L76 HydrophobicContact CG1-CD1 4.12Å; V71-L76 HydrophobicContact CG2-CD1 3.53Å; L76-T94 CarbonylContact O-C 3.5Å; L76-T94 WeakPolarHBondContact O-CA 3.47Å; L76-L95 PolarHBondContact N-O 3.15Å; L76-L95 PolarHBondContact O-N 3.17Å; L76-F101 HydrophobicContact CD2-CZ 4.09Å; L76-I115 HydrophobicContact CB-CG2 3.86Å; L76-I115 HydrophobicContact CD2-CG2 3.65Å; L76-I115 HydrophobicContact CG-CG2 4.41Å; L76-V116 CarbonylContact C-O 3.53Å; L76-V116 VanDerWaalsContact CA-O 3.3Å; L76-V116 WeakPolarHBondContact CA-O 3.29Å; L76-T117 HydrophobicContact CD2-CG2 4.01Å; L76-T117 HydrophobicContact CG-CG2 4.33Å; L76-L123 HydrophobicContact CD1-CD2 3.98Å; L76-L123 HydrophobicContact CD2-CD1 4.28Å |
| 77 | D | 90.6 | Very high | 85.6 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 133.4 | 173.5 | -72.9 | -18.4 | 0 | 0 | 0 | 110.5 | K79 T91 I115 V116 R118 | D77-K79 HydrophobicContact CB-CG 4.47Å; D77-T91 HydrophobicContact CB-CG2 3.89Å; D77-I115 WeakPolarHBondContact O-CA 3.28Å; D77-V116 PolarHBondContact N-O 3.22Å; D77-V116 PolarHBondContact O-N 3.5Å; D77-R118 WeakPolarHBondContact OD1-CD 3.4Å |
| 78 | V | 88.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.7 | 169.3 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | T91 I92 C93 L95 A113 | V78-T91 CarbonylContact O-C 3.53Å; V78-T91 WeakPolarHBondContact O-CA 3.23Å; V78-I92 HydrophobicContact CB-CG1 4.09Å; V78-I92 HydrophobicContact CG1-CD1 3.92Å; V78-I92 HydrophobicContact CG1-CG1 3.97Å; V78-I92 VanDerWaalsContact O-CG1 3.27Å; V78-I92 WeakPolarHBondContact O-CG1 3.48Å; V78-I92 PolarHBondContact O-N 3.14Å; V78-C93 PolarHBondContact N-O 3.41Å; V78-L95 HydrophobicContact CG2-CD1 3.62Å; V78-L95 HydrophobicContact CG2-CD2 4.03Å; V78-L95 HydrophobicContact CG2-CG 3.59Å; V78-A113 HydrophobicContact CG1-CB 3.48Å; V78-A113 VanDerWaalsContact CG1-CB 3.48Å |
| 79 | K | 86.9 | Confident | 84.1 | Confident | 61 Ų | 61 | 46 Ų | 46 | 27% | 0.265 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.8 | -177.2 | -57 | -175.2 | 179.8 | -173.9 | 0 | 111.9 | D77 A89 V90 A113 T114 V116 | D77-K79 HydrophobicContact CB-CG 4.47Å; K79-A89 HydrophobicContact CB-CB 4.1Å; K79-V90 CarbonylContact C-O 3.53Å; K79-V90 WeakPolarHBondContact CA-O 3.16Å; K79-A113 CarbonylContact O-C 3.54Å; K79-A113 WeakPolarHBondContact O-CA 3.42Å; K79-A113 WeakPolarHBondContact O-CB 3.3Å; K79-T114 PolarHBondContact N-O 3.02Å; K79-T114 PolarHBondContact O-N 3.35Å; K79-V116 HydrophobicContact CD-CG2 4.42Å |
| 80 | V | 82.8 | Confident | 83.3 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.3 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | A89 V90 I92 A113 I394 K397 | V80-A89 WeakPolarHBondContact O-CA 3.43Å; V80-V90 PolarHBondContact N-O 3.25Å; V80-V90 PolarHBondContact O-N 3.29Å; V80-I92 HydrophobicContact CG2-CD1 3.59Å; V80-I92 HydrophobicContact CG2-CG1 4.24Å; V80-A113 HydrophobicContact CG2-CB 3.67Å; V80-I394 HydrophobicContact CB-CD1 4.34Å; V80-I394 HydrophobicContact CG1-CD1 3.96Å; V80-I394 HydrophobicContact CG2-CD1 4.05Å; V80-K397 VanDerWaalsContact CG1-NZ 3.33Å |
| 81 | S | 82.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | trans | -105.8 | 136.3 | 167 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | Q61 T83 S85 | Q61-S81 PolarHBondContact NE2-O 2.94Å; Q61-S81 PolarHBondContact OE1-O 3.44Å; S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact OG-N 3.39Å; S81-T83 VanDerWaalsContact OG-N 3.1Å; S81-T83 PolarHBondContact OG-O 3.32Å; S81-T83 PolarHBondContact OG-OG1 3.24Å; S81-T83 VanDerWaalsContact OG-OG1 3.06Å; S81-S85 VanDerWaalsContact CB-O 3.25Å; S81-S85 WeakPolarHBondContact CB-O 3.44Å; S81-S85 PolarHBondContact OG-O 2.76Å | ||
| 82 | E | 72.6 | Confident | 82.5 | Confident | 155 Ų | 155 | 50.4 Ų | 50.4 | 72% | 0.724 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -83.8 | -13.5 | 168.1 | -65.3 | -170.8 | 166.6 | 0 | 0 | 111.9 | ||
| 83 | T | 76.7 | Confident | 82.3 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -99.3 | 172.2 | 175.3 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | S81 S85 D88 | S81-T83 VanDerWaalsContact C-N 3.34Å; S81-T83 PolarHBondContact OG-N 3.39Å; S81-T83 VanDerWaalsContact OG-N 3.1Å; S81-T83 PolarHBondContact OG-O 3.32Å; S81-T83 PolarHBondContact OG-OG1 3.24Å; S81-T83 VanDerWaalsContact OG-OG1 3.06Å; T83-S85 PolarHBondContact O-N 2.83Å; T83-S85 WeakPolarHBondContact OG1-CB 3.24Å; T83-S85 PolarHBondContact OG1-N 2.97Å; T83-S85 VanDerWaalsContact OG1-N 3.07Å; T83-S85 PolarHBondContact OG1-O 3.24Å; T83-D88 WeakPolarHBondContact CB-OD2 3.5Å; T83-D88 HydrophobicContact CG2-CB 4.44Å; T83-D88 WeakPolarHBondContact CG2-OD2 3.29Å; T83-D88 PolarHBondContact OG1-OD2 3.04Å |
| 84 | S | 75.6 | Confident | 82.4 | Confident | 130 Ų | 130 | 48.9 Ų | 48.9 | 91% | 0.909 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -73.5 | -1.2 | 169.1 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 85 | S | 83.1 | Confident | 82.4 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | trans | -99.2 | 128.6 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | S81 T83 Q87 D88 | S81-S85 VanDerWaalsContact CB-O 3.25Å; S81-S85 WeakPolarHBondContact CB-O 3.44Å; S81-S85 PolarHBondContact OG-O 2.76Å; T83-S85 PolarHBondContact O-N 2.83Å; T83-S85 WeakPolarHBondContact OG1-CB 3.24Å; T83-S85 PolarHBondContact OG1-N 2.97Å; T83-S85 VanDerWaalsContact OG1-N 3.07Å; T83-S85 PolarHBondContact OG1-O 3.24Å; S85-Q87 PolarHBondContact O-N 2.65Å; S85-Q87 PolarHBondContact OG-N 3.37Å; S85-D88 PolarHBondContact O-N 3.39Å | ||
| 86 | H | 80.7 | Confident | 82.3 | Confident | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -72.1 | -14.8 | 173.5 | -56.5 | -57.6 | 0 | 0 | 0 | 113.4 | Q61 D88 A89 | Q61-H86 PolarHBondContact O-CE1 3.42Å; Q61-H86 VanDerWaalsContact O-CE1 3.23Å; H86-D88 PolarHBondContact O-N 2.78Å; H86-A89 WeakPolarHBondContact O-CB 3.42Å; H86-A89 PolarHBondContact O-N 2.75Å |
| 87 | Q | 78.8 | Confident | 82 | Confident | 180 Ų | 180 | 51.5 Ų | 51.5 | 84% | 0.841 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -70.3 | -26.6 | 178.1 | -65 | -178.1 | -15.7 | 0 | 0 | 111.8 | S85 A89 | S85-Q87 PolarHBondContact O-N 2.65Å; S85-Q87 PolarHBondContact OG-N 3.37Å; Q87-A89 PolarHBondContact O-N 3Å |
| 88 | D | 80.8 | Confident | 81.7 | Confident | 85 Ų | 85 | 50.3 Ų | 50.3 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -86.1 | 3.7 | 177.8 | -50.9 | -27 | 0 | 0 | 0 | 111.8 | T83 S85 H86 V90 | T83-D88 WeakPolarHBondContact CB-OD2 3.5Å; T83-D88 HydrophobicContact CG2-CB 4.44Å; T83-D88 WeakPolarHBondContact CG2-OD2 3.29Å; T83-D88 PolarHBondContact OG1-OD2 3.04Å; S85-D88 PolarHBondContact O-N 3.39Å; H86-D88 PolarHBondContact O-N 2.78Å; D88-V90 PolarHBondContact O-N 3.28Å |
| 89 | A | 79.3 | Confident | 81.6 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | trans | -71.2 | 123.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.1 | K79 V80 H86 Q87 | K79-A89 HydrophobicContact CB-CB 4.1Å; V80-A89 WeakPolarHBondContact O-CA 3.43Å; H86-A89 WeakPolarHBondContact O-CB 3.42Å; H86-A89 PolarHBondContact O-N 2.75Å; Q87-A89 PolarHBondContact O-N 3Å | ||
| 90 | V | 76.9 | Confident | 81.7 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.9 | -177.3 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | K79 V80 D88 I92 L412 | K79-V90 CarbonylContact C-O 3.53Å; K79-V90 WeakPolarHBondContact CA-O 3.16Å; V80-V90 PolarHBondContact N-O 3.25Å; V80-V90 PolarHBondContact O-N 3.29Å; D88-V90 PolarHBondContact O-N 3.28Å; V90-I92 PolarHBondContact O-N 3.21Å; V90-L412 HydrophobicContact CB-CD1 3.99Å; V90-L412 HydrophobicContact CB-CD2 3.41Å; V90-L412 VanDerWaalsContact CB-CD2 3.41Å; V90-L412 HydrophobicContact CB-CG 4.33Å; V90-L412 HydrophobicContact CG1-CD1 4.28Å; V90-L412 HydrophobicContact CG1-CD2 4.08Å; V90-L412 HydrophobicContact CG2-CD2 3.41Å; V90-L412 VanDerWaalsContact CG2-CD2 3.41Å |
| 91 | T | 80.9 | Confident | 82.1 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 27% | 0.27 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119.1 | 177.2 | -56 | 0 | 0 | 0 | 0 | 110.4 | D77 V78 | D77-T91 HydrophobicContact CB-CG2 3.89Å; V78-T91 CarbonylContact O-C 3.53Å; V78-T91 WeakPolarHBondContact O-CA 3.23Å |
| 92 | I | 81.8 | Confident | 82.5 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -34.8 | -179.3 | 51.2 | 166.4 | 0 | 0 | 0 | 112.8 | V78 V80 V90 V392 I394 V400 A421 | V78-I92 HydrophobicContact CB-CG1 4.09Å; V78-I92 HydrophobicContact CG1-CD1 3.92Å; V78-I92 HydrophobicContact CG1-CG1 3.97Å; V78-I92 VanDerWaalsContact O-CG1 3.27Å; V78-I92 WeakPolarHBondContact O-CG1 3.48Å; V78-I92 PolarHBondContact O-N 3.14Å; V80-I92 HydrophobicContact CG2-CD1 3.59Å; V80-I92 HydrophobicContact CG2-CG1 4.24Å; V90-I92 PolarHBondContact O-N 3.21Å; I92-V392 HydrophobicContact CD1-CG1 4.12Å; I92-I394 HydrophobicContact CD1-CD1 4.34Å; I92-V400 HydrophobicContact CD1-CG1 4.47Å; I92-A421 HydrophobicContact CG2-CB 4.12Å |
| 93 | C | 81.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 165.9 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | V78 C401 L403 F409 | V78-C93 PolarHBondContact N-O 3.41Å; C93-C401 VanDerWaalsContact SG-SG 3.66Å; C93-L403 HydrophobicContact CB-CD1 3.63Å; C93-L403 HydrophobicContact CB-CD2 3.85Å; C93-L403 HydrophobicContact CB-CG 4.32Å; C93-F409 HydrophobicContact CB-CB 4.13Å |
| 94 | T | 85.4 | Confident | 83.9 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.5 | 175 | -43 | 0 | 0 | 0 | 0 | 110 | L76 D407 D408 | L76-T94 CarbonylContact O-C 3.5Å; L76-T94 WeakPolarHBondContact O-CA 3.47Å; T94-D407 WeakPolarHBondContact O-CB 3.48Å; T94-D408 VanDerWaalsContact CB-OD1 3.23Å; T94-D408 WeakPolarHBondContact CB-OD1 3.32Å; T94-D408 PolarHBondContact N-O 3.11Å; T94-D408 PolarHBondContact OG1-OD1 3.5Å |
| 95 | L | 86.1 | Confident | 84.7 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.9 | 172.8 | -52.4 | 173 | 0 | 0 | 0 | 109.4 | S75 L76 V78 T99 F101 I115 L403 | S75-L95 CarbonylContact C-O 3.6Å; S75-L95 WeakPolarHBondContact CA-O 3.45Å; L76-L95 PolarHBondContact N-O 3.15Å; L76-L95 PolarHBondContact O-N 3.17Å; V78-L95 HydrophobicContact CG2-CD1 3.62Å; V78-L95 HydrophobicContact CG2-CD2 4.03Å; V78-L95 HydrophobicContact CG2-CG 3.59Å; L95-T99 HydrophobicContact CB-CG2 4.27Å; L95-T99 HydrophobicContact CD2-CG2 3.8Å; L95-F101 HydrophobicContact CD1-CB 4.2Å; L95-F101 HydrophobicContact CD1-CD1 3.63Å; L95-F101 HydrophobicContact CD1-CE1 4.1Å; L95-F101 HydrophobicContact CD1-CG 3.89Å; L95-I115 HydrophobicContact CD1-CD1 4.17Å; L95-L403 HydrophobicContact CD2-CD2 3.66Å |
| 96 | G | 86.1 | Confident | 85 | Confident | 11 Ų | 11 | 31.1 Ų | 31.1 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | trans | -108.3 | -172.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V71 G98 T99 D407 | V71-G96 WeakPolarHBondContact CB-O 3.23Å; G96-G98 PolarHBondContact O-N 3.04Å; G96-T99 WeakPolarHBondContact O-CB 3.44Å; G96-T99 PolarHBondContact O-N 3.01Å; G96-T99 VanDerWaalsContact O-N 3.16Å; G96-D407 WeakPolarHBondContact CA-OD1 3.25Å; G96-D407 PolarHBondContact N-OD1 3.34Å | ||
| 97 | I | 85.4 | Confident | 85.4 | Confident | 66 Ų | 66 | 30.4 Ų | 30.4 | 34% | 0.338 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.2 | -179 | -65.1 | 169.5 | 0 | 0 | 0 | 111.1 | V71 L72 T99 K343 | V71-I97 HydrophobicContact CG1-CG1 4.45Å; L72-I97 WeakPolarHBondContact O-CG2 3.32Å; I97-T99 VanDerWaalsContact C-N 3.3Å; I97-K343 HydrophobicContact CD1-CD 4.27Å |
| 98 | G | 83.1 | Confident | 85.9 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | -9.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A31 V71 G96 | A31-G98 WeakPolarHBondContact CB-O 3.45Å; A31-G98 PolarHBondContact N-O 3.44Å; A31-G98 VanDerWaalsContact N-O 3.17Å; V71-G98 PolarHBondContact O-N 2.85Å; G96-G98 PolarHBondContact O-N 3.04Å |
| 99 | T | 86.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -84 | 145.1 | 173.1 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | V71 L95 G96 I97 H404 D407 | V71-T99 PolarHBondContact N-O 2.62Å; L95-T99 HydrophobicContact CB-CG2 4.27Å; L95-T99 HydrophobicContact CD2-CG2 3.8Å; G96-T99 WeakPolarHBondContact O-CB 3.44Å; G96-T99 PolarHBondContact O-N 3.01Å; G96-T99 VanDerWaalsContact O-N 3.16Å; I97-T99 VanDerWaalsContact C-N 3.3Å; T99-H404 PolarHBondContact OG1-ND1 3.04Å; T99-D407 PolarHBondContact OG1-OD2 3.31Å | ||
| 100 | A | 89.3 | Confident | 86.7 | Confident | 13 Ų | 13 | 26.4 Ų | 26.4 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A31 W68 Y69 A70 L145 | A31-A100 HydrophobicContact CB-CB 4.17Å; W68-A100 HydrophobicContact CH2-CB 3.94Å; W68-A100 HydrophobicContact CZ2-CB 3.33Å; Y69-A100 CarbonylContact O-C 3.54Å; Y69-A100 VanDerWaalsContact O-CA 3.25Å; Y69-A100 WeakPolarHBondContact O-CA 3.29Å; Y69-A100 WeakPolarHBondContact O-CB 3.33Å; A70-A100 HydrophobicContact CB-CB 4.19Å; A100-L145 HydrophobicContact CB-CD2 4.45Å |
| 101 | F | 92.4 | Very high | 87.4 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 163.6 | -174.5 | 62.9 | -88.6 | 0 | 0 | 0 | 112.9 | L58 F59 W68 Y69 V71 L76 L95 I115 | L58-F101 HydrophobicContact CD2-CE2 3.97Å; L58-F101 HydrophobicContact CD2-CZ 3.79Å; F59-F101 HydrophobicContact CE1-CD2 4.39Å; F59-F101 HydrophobicContact CE1-CE2 4.05Å; F59-F101 HydrophobicContact CZ-CD2 4.15Å; F59-F101 HydrophobicContact CZ-CE2 4.16Å; W68-F101 VanDerWaalsContact CD1-O 3.3Å; Y69-F101 VanDerWaalsContact CB-CZ 3.49Å; Y69-F101 HydrophobicContact CD2-CD2 4.18Å; Y69-F101 AromaticContact CD2-CE2 3.65Å; Y69-F101 HydrophobicContact CD2-CE2 3.65Å; Y69-F101 HydrophobicContact CD2-CZ 4.21Å; Y69-F101 AromaticContact CG-CE2 3.84Å; Y69-F101 HydrophobicContact CG-CE2 3.84Å; Y69-F101 AromaticContact CG-CZ 3.91Å; Y69-F101 HydrophobicContact CG-CZ 3.91Å; Y69-F101 PolarHBondContact N-O 3.34Å; Y69-F101 PolarHBondContact O-N 2.99Å; V71-F101 HydrophobicContact CG2-CD1 4.48Å; V71-F101 HydrophobicContact CG2-CE1 3.88Å; L76-F101 HydrophobicContact CD2-CZ 4.09Å; L95-F101 HydrophobicContact CD1-CB 4.2Å; L95-F101 HydrophobicContact CD1-CD1 3.63Å; L95-F101 HydrophobicContact CD1-CE1 4.1Å; L95-F101 HydrophobicContact CD1-CG 3.89Å; F101-I115 HydrophobicContact CD2-CD1 3.4Å; F101-I115 HydrophobicContact CE2-CD1 3.56Å; F101-I115 HydrophobicContact CE2-CG2 4.23Å; F101-I115 HydrophobicContact CG-CD1 4.12Å; F101-I115 HydrophobicContact CZ-CD1 4.38Å; F101-I115 HydrophobicContact CZ-CG2 4.3Å |
| 102 | G | 89.6 | Confident | 87.6 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 9% | 0.093 | 14% | 0.141 | C | C | . | . | trans | 100.5 | 15.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S104 I105 R111 | G102-S104 PolarHBondContact O-N 2.92Å; G102-S104 VanDerWaalsContact O-N 3.13Å; G102-I105 WeakPolarHBondContact O-CG2 3.46Å; G102-I105 PolarHBondContact O-N 3.09Å; G102-R111 VanDerWaalsContact CA-NH1 3.28Å; G102-R111 PolarHBondContact O-NH1 2.84Å | ||
| 103 | E | 90.4 | Very high | 87.9 | Confident | 19 Ų | 19 | 23.9 Ų | 23.9 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -64.7 | -11 | 179 | 66.4 | -90.3 | -136 | 0 | 0 | 114.1 | I105 L106 F131 L146 A147 Y150 | E103-I105 PolarHBondContact O-N 3.47Å; E103-L106 HydrophobicContact CB-CD1 4.39Å; E103-L106 WeakPolarHBondContact O-CB 3.36Å; E103-L106 WeakPolarHBondContact O-CG 3.47Å; E103-L106 PolarHBondContact O-N 3.27Å; E103-F131 HydrophobicContact CB-CE1 4.14Å; E103-L146 HydrophobicContact CB-CD2 4.08Å; E103-A147 WeakPolarHBondContact OE1-CB 3.47Å; E103-A147 PolarHBondContact OE1-N 2.57Å; E103-Y150 HydrophobicContact CB-CD2 4.15Å; E103-Y150 HydrophobicContact CG-CD2 3.45Å; E103-Y150 VanDerWaalsContact CG-CD2 3.45Å; E103-Y150 HydrophobicContact CG-CE2 3.89Å; E103-Y150 HydrophobicContact CG-CG 4.26Å |
| 104 | S | 89.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 24.2 Ų | 24.2 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -57 | -15.3 | 173.3 | 78.7 | 0 | 0 | 0 | 0 | 114 | G102 L106 D107 N108 T109 R111 Y150 | G102-S104 PolarHBondContact O-N 2.92Å; G102-S104 VanDerWaalsContact O-N 3.13Å; S104-L106 PolarHBondContact O-N 3.38Å; S104-D107 VanDerWaalsContact O-OD1 3.06Å; S104-N108 PolarHBondContact O-N 3.2Å; S104-T109 PolarHBondContact O-N 3.29Å; S104-T109 PolarHBondContact OG-O 3.06Å; S104-R111 PolarHBondContact OG-NH1 2.86Å; S104-Y150 WeakPolarHBondContact CA-OH 3.36Å |
| 105 | I | 92.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -69 | -16.7 | 173.6 | 68.7 | -169.9 | 0 | 0 | 0 | 113.1 | G65 W68 G102 E103 D107 N108 Q128 F131 | G65-I105 VanDerWaalsContact O-CG2 3.3Å; G65-I105 WeakPolarHBondContact O-CG2 3.23Å; W68-I105 HydrophobicContact CB-CD1 3.83Å; G102-I105 WeakPolarHBondContact O-CG2 3.46Å; G102-I105 PolarHBondContact O-N 3.09Å; E103-I105 PolarHBondContact O-N 3.47Å; I105-D107 VanDerWaalsContact C-N 3.26Å; I105-D107 PolarHBondContact O-N 3Å; I105-N108 PolarHBondContact O-N 3.01Å; I105-Q128 HydrophobicContact CB-CB 4.29Å; I105-Q128 HydrophobicContact CB-CG 3.96Å; I105-Q128 HydrophobicContact CD1-CB 4.03Å; I105-Q128 HydrophobicContact CD1-CG 4.39Å; I105-Q128 HydrophobicContact CG1-CB 4.36Å; I105-Q128 HydrophobicContact CG1-CG 4.18Å; I105-Q128 PolarHBondContact O-NE2 3.49Å; I105-F131 HydrophobicContact CD1-CB 4.41Å; I105-F131 HydrophobicContact CD1-CD1 4.02Å; I105-F131 HydrophobicContact CG1-CD1 4.19Å |
| 106 | L | 90.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -65.8 | -30.4 | -176.3 | -72.4 | 172.5 | 0 | 0 | 0 | 112.7 | E103 S104 F131 K132 W135 L146 Y150 | E103-L106 HydrophobicContact CB-CD1 4.39Å; E103-L106 WeakPolarHBondContact O-CB 3.36Å; E103-L106 WeakPolarHBondContact O-CG 3.47Å; E103-L106 PolarHBondContact O-N 3.27Å; S104-L106 PolarHBondContact O-N 3.38Å; L106-F131 HydrophobicContact CD1-CD1 4.42Å; L106-F131 HydrophobicContact CD1-CE1 3.81Å; L106-F131 HydrophobicContact CD2-CD1 3.65Å; L106-F131 HydrophobicContact CD2-CE1 3.89Å; L106-F131 HydrophobicContact CG-CD1 3.96Å; L106-F131 HydrophobicContact CG-CE1 3.81Å; L106-K132 HydrophobicContact CD2-CB 4.16Å; L106-K132 HydrophobicContact CD2-CG 4.41Å; L106-W135 HydrophobicContact CD1-CB 4.37Å; L106-W135 HydrophobicContact CD1-CD2 3.72Å; L106-W135 HydrophobicContact CD1-CE3 4.18Å; L106-W135 HydrophobicContact CD1-CG 3.81Å; L106-W135 HydrophobicContact CD1-CZ2 4.41Å; L106-W135 HydrophobicContact CD2-CB 3.84Å; L106-W135 HydrophobicContact CD2-CD2 4Å; L106-W135 HydrophobicContact CD2-CE3 3.88Å; L106-W135 HydrophobicContact CD2-CG 4.02Å; L106-W135 HydrophobicContact CG-CD2 4.41Å; L106-W135 HydrophobicContact CG-CE3 4.45Å; L106-L146 HydrophobicContact CD1-CD1 4.2Å; L106-Y150 HydrophobicContact CB-CD1 3.63Å; L106-Y150 HydrophobicContact CB-CE1 3.73Å; L106-Y150 HydrophobicContact CD1-CD1 3.64Å; L106-Y150 HydrophobicContact CD1-CE1 4.47Å; L106-Y150 HydrophobicContact CD1-CG 3.8Å; L106-Y150 HydrophobicContact CG-CD1 4.25Å |
| 107 | D | 88.7 | Confident | 89.5 | Confident | 78 Ų | 78 | 24.4 Ų | 24.4 | 42% | 0.417 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 10.5 | 176.6 | 68.1 | 1.3 | 0 | 0 | 0 | 113.7 | S104 I105 T109 Y150 | S104-D107 VanDerWaalsContact O-OD1 3.06Å; I105-D107 VanDerWaalsContact C-N 3.26Å; I105-D107 PolarHBondContact O-N 3Å; D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 2.66Å; D107-T109 VanDerWaalsContact OD1-CB 3.23Å; D107-T109 WeakPolarHBondContact OD1-CB 3.43Å; D107-T109 PolarHBondContact OD1-N 2.94Å; D107-T109 PolarHBondContact OD1-OG1 3.32Å; D107-T109 PolarHBondContact OD2-OG1 3.23Å; D107-Y150 HydrophobicContact CB-CE1 4.22Å; D107-Y150 PolarHBondContact OD1-OH 3.02Å; D107-Y150 PolarHBondContact OD2-OH 3.25Å; D107-Y150 VanDerWaalsContact OD2-OH 3.06Å |
| 108 | N | 88.4 | Confident | 89.6 | Confident | 95 Ų | 95 | 24 Ų | 24 | 51% | 0.508 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 24.9 | -175.7 | -55.5 | -60.7 | 0 | 0 | 0 | 114.9 | S104 I105 Q128 | S104-N108 PolarHBondContact O-N 3.2Å; I105-N108 PolarHBondContact O-N 3.01Å; N108-Q128 PolarHBondContact OD1-NE2 2.91Å |
| 109 | T | 88 | Confident | 89.6 | Confident | 39 Ų | 39 | 27.1 Ų | 27.1 | 24% | 0.239 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 128.2 | 173.1 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | S104 D107 H112 | S104-T109 PolarHBondContact O-N 3.29Å; S104-T109 PolarHBondContact OG-O 3.06Å; D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 2.66Å; D107-T109 VanDerWaalsContact OD1-CB 3.23Å; D107-T109 WeakPolarHBondContact OD1-CB 3.43Å; D107-T109 PolarHBondContact OD1-N 2.94Å; D107-T109 PolarHBondContact OD1-OG1 3.32Å; D107-T109 PolarHBondContact OD2-OG1 3.23Å; T109-H112 VanDerWaalsContact CG2-NE2 3.34Å; T109-H112 WeakPolarHBondContact CG2-NE2 3.37Å |
| 110 | P | 90 | Very high | 89.5 | Confident | 69 Ų | 69 | 31 Ų | 31 | 45% | 0.448 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -53.9 | 149.1 | 174.2 | -26.3 | 34.8 | 0 | 0 | 0 | 112.1 | D63 H112 | D63-P110 WeakPolarHBondContact O-CA 3.44Å; P110-H112 PolarHBondContact O-N 3.34Å |
| 111 | R | 90.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 125.1 | -176.5 | -66.8 | -58.3 | -164.2 | -162.7 | 4.1 | 111.3 | F59 R60 Q61 G62 D63 G65 N67 G102 S104 A113 | F59-R111 HydrophobicContact CB-CG 4.35Å; F59-R111 HydrophobicContact CD2-CB 3.83Å; F59-R111 HydrophobicContact CD2-CG 3.46Å; F59-R111 VanDerWaalsContact CD2-CG 3.46Å; F59-R111 HydrophobicContact CE2-CB 4.08Å; F59-R111 HydrophobicContact CE2-CG 3.81Å; F59-R111 HydrophobicContact CG-CG 3.94Å; R60-R111 WeakPolarHBondContact O-CB 3.43Å; Q61-R111 CarbonylContact C-O 3.58Å; Q61-R111 WeakPolarHBondContact CA-O 3.4Å; G62-R111 PolarHBondContact N-O 3.34Å; D63-R111 HydrophobicContact CB-CG 4.35Å; D63-R111 WeakPolarHBondContact O-CG 3.48Å; D63-R111 PolarHBondContact O-N 3.13Å; G65-R111 VanDerWaalsContact CA-CZ 3.44Å; G65-R111 VanDerWaalsContact CA-NE 3.33Å; N67-R111 PolarHBondContact O-NH2 3.35Å; G102-R111 VanDerWaalsContact CA-NH1 3.28Å; G102-R111 PolarHBondContact O-NH1 2.84Å; S104-R111 PolarHBondContact OG-NH1 2.86Å; R111-A113 PolarHBondContact O-N 2.75Å |
| 112 | H | 85.6 | Confident | 89.3 | Confident | 44 Ų | 44 | 32.4 Ų | 32.4 | 20% | 0.204 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -70 | -22.3 | -179.3 | -58.5 | 120.9 | 0 | 0 | 0 | 113.9 | T109 P110 K397 V400 | T109-H112 VanDerWaalsContact CG2-NE2 3.34Å; T109-H112 WeakPolarHBondContact CG2-NE2 3.37Å; P110-H112 PolarHBondContact O-N 3.34Å; H112-K397 PolarHBondContact O-NZ 3.49Å; H112-V400 HydrophobicContact CB-CG1 3.98Å; H112-V400 HydrophobicContact CB-CG2 4.4Å |
| 113 | A | 88.9 | Confident | 89.3 | Confident | 6 Ų | 6 | 32 Ų | 32 | 5% | 0.05 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -147.3 | 160 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F59 Q61 V78 K79 V80 R111 V400 | F59-A113 WeakPolarHBondContact CE2-O 3.26Å; Q61-A113 PolarHBondContact N-O 3.18Å; V78-A113 HydrophobicContact CG1-CB 3.48Å; V78-A113 VanDerWaalsContact CG1-CB 3.48Å; K79-A113 CarbonylContact O-C 3.54Å; K79-A113 WeakPolarHBondContact O-CA 3.42Å; K79-A113 WeakPolarHBondContact O-CB 3.3Å; V80-A113 HydrophobicContact CG2-CB 3.67Å; R111-A113 PolarHBondContact O-N 2.75Å; A113-V400 HydrophobicContact CB-CG1 4.28Å |
| 114 | T | 92.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 130.4 | 167 | -57 | 0 | 0 | 0 | 0 | 108.9 | T57 F59 R60 Q61 K79 V116 | T57-T114 HydrophobicContact CG2-CG2 3.81Å; F59-T114 WeakPolarHBondContact O-CA 3.33Å; R60-T114 WeakPolarHBondContact CA-OG1 3.28Å; R60-T114 HydrophobicContact CB-CG2 4.46Å; R60-T114 HydrophobicContact CG-CG2 4.11Å; Q61-T114 PolarHBondContact N-OG1 3.36Å; K79-T114 PolarHBondContact N-O 3.02Å; K79-T114 PolarHBondContact O-N 3.35Å; T114-V116 HydrophobicContact CG2-CG2 4.03Å |
| 115 | I | 93.9 | Very high | 89.6 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.2 | 179.2 | -61.5 | -170.8 | 0 | 0 | 0 | 110.1 | T57 L58 F59 L76 D77 L95 F101 | T57-I115 WeakPolarHBondContact CA-O 3.39Å; L58-I115 PolarHBondContact N-O 3.27Å; F59-I115 HydrophobicContact CE1-CD1 4.35Å; F59-I115 HydrophobicContact CE2-CB 4.16Å; F59-I115 HydrophobicContact CE2-CD1 3.77Å; F59-I115 HydrophobicContact CE2-CG1 3.68Å; F59-I115 HydrophobicContact CZ-CB 4.21Å; F59-I115 HydrophobicContact CZ-CD1 3.43Å; F59-I115 VanDerWaalsContact CZ-CD1 3.43Å; F59-I115 HydrophobicContact CZ-CG1 3.82Å; F59-I115 PolarHBondContact O-N 2.83Å; L76-I115 HydrophobicContact CB-CG2 3.86Å; L76-I115 HydrophobicContact CD2-CG2 3.65Å; L76-I115 HydrophobicContact CG-CG2 4.41Å; D77-I115 WeakPolarHBondContact O-CA 3.28Å; L95-I115 HydrophobicContact CD1-CD1 4.17Å; F101-I115 HydrophobicContact CD2-CD1 3.4Å; F101-I115 HydrophobicContact CE2-CD1 3.56Å; F101-I115 HydrophobicContact CE2-CG2 4.23Å; F101-I115 HydrophobicContact CG-CD1 4.12Å; F101-I115 HydrophobicContact CZ-CD1 4.38Å; F101-I115 HydrophobicContact CZ-CG2 4.3Å |
| 116 | V | 93.8 | Very high | 89.7 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.3 | -176 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | I56 T57 L76 D77 K79 T114 R118 | I56-V116 CarbonylContact O-C 3.49Å; I56-V116 VanDerWaalsContact O-CA 3.32Å; I56-V116 WeakPolarHBondContact O-CA 3.46Å; T57-V116 HydrophobicContact CG2-CG2 4.24Å; L76-V116 CarbonylContact C-O 3.53Å; L76-V116 VanDerWaalsContact CA-O 3.3Å; L76-V116 WeakPolarHBondContact CA-O 3.29Å; D77-V116 PolarHBondContact N-O 3.22Å; D77-V116 PolarHBondContact O-N 3.5Å; K79-V116 HydrophobicContact CD-CG2 4.42Å; T114-V116 HydrophobicContact CG2-CG2 4.03Å; V116-R118 PolarHBondContact O-N 3.43Å |
| 117 | T | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126.9 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | L52 E53 G55 I56 L58 L76 | L52-T117 HydrophobicContact CB-CG2 3.86Å; L52-T117 HydrophobicContact CD1-CG2 3.94Å; E53-T117 PolarHBondContact O-OG1 3.3Å; G55-T117 WeakPolarHBondContact CA-O 3.42Å; G55-T117 PolarHBondContact N-O 3.07Å; G55-T117 PolarHBondContact N-OG1 3.04Å; I56-T117 HydrophobicContact CB-CG2 4.42Å; I56-T117 PolarHBondContact N-OG1 2.94Å; I56-T117 PolarHBondContact O-N 3.09Å; I56-T117 PolarHBondContact O-OG1 3.26Å; L58-T117 HydrophobicContact CD1-CG2 3.85Å; L76-T117 HydrophobicContact CD2-CG2 4.01Å; L76-T117 HydrophobicContact CG-CG2 4.33Å |
| 118 | R | 87.3 | Confident | 90.1 | Very high | 58 Ų | 58 | 35.2 Ų | 35.2 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -85.9 | -27.9 | -179.3 | -171.8 | -177.7 | 177.9 | -86.2 | -1.8 | 111.8 | K54 S75 D77 V116 H347 | K54-R118 VanDerWaalsContact CD-O 3.27Å; K54-R118 WeakPolarHBondContact CD-O 3.38Å; K54-R118 WeakPolarHBondContact CE-O 3.48Å; K54-R118 VanDerWaalsContact CG-O 3.31Å; K54-R118 WeakPolarHBondContact CG-O 3.46Å; S75-R118 WeakPolarHBondContact O-CB 3.49Å; S75-R118 PolarHBondContact O-N 2.95Å; D77-R118 WeakPolarHBondContact OD1-CD 3.4Å; V116-R118 PolarHBondContact O-N 3.43Å; R118-H347 PolarHBondContact NH2-CD2 2.9Å; R118-H347 PolarHBondContact NH2-CE1 2.69Å; R118-H347 PolarHBondContact NH2-ND1 2.76Å; R118-H347 PolarHBondContact NH2-NE2 2.91Å |
| 119 | E | 83.9 | Confident | 90.4 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -144.2 | -176.8 | 176.1 | 63.8 | -165.2 | 156.7 | 0 | 0 | 109.6 | G74 S75 S121 | G74-E119 VanDerWaalsContact C-OE1 3.26Å; G74-E119 WeakPolarHBondContact CA-OE1 3.3Å; S75-E119 WeakPolarHBondContact CB-OE1 3.35Å; S75-E119 PolarHBondContact N-OE1 2.76Å; S75-E119 VanDerWaalsContact N-OE1 3.09Å; S75-E119 VanDerWaalsContact OG-CD 3.3Å; S75-E119 PolarHBondContact OG-OE1 3.48Å; E119-S121 PolarHBondContact O-N 3.36Å; E119-S121 PolarHBondContact O-OG 2.99Å |
| 120 | S | 84.4 | Confident | 90.6 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 57% | 0.566 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -63.5 | 125.7 | 171.6 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | L52 | L52-S120 CarbonylContact O-C 3.47Å; L52-S120 VanDerWaalsContact O-CA 3.3Å; L52-S120 WeakPolarHBondContact O-CA 3.26Å |
| 121 | S | 87.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.7 | -169.1 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | L52 A73 S75 E119 | L52-S121 PolarHBondContact N-O 3.39Å; L52-S121 PolarHBondContact O-N 3.01Å; A73-S121 CarbonylContact O-C 3.52Å; A73-S121 VanDerWaalsContact O-CA 3.29Å; A73-S121 WeakPolarHBondContact O-CA 3.3Å; S75-S121 PolarHBondContact N-OG 2.94Å; S75-S121 PolarHBondContact O-OG 3.21Å; E119-S121 PolarHBondContact O-N 3.36Å; E119-S121 PolarHBondContact O-OG 2.99Å |
| 122 | E | 88.8 | Confident | 90.8 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.7 | 172.4 | -60.6 | -178.8 | -141.3 | 0 | 0 | 109.1 | Y49 E50 L72 A73 | Y49-E122 HydrophobicContact CE2-CB 3.86Å; Y49-E122 HydrophobicContact CE2-CG 4.14Å; Y49-E122 WeakPolarHBondContact CE2-OE2 3.36Å; Y49-E122 VanDerWaalsContact OH-CG 3.3Å; Y49-E122 WeakPolarHBondContact OH-CG 3.3Å; Y49-E122 PolarHBondContact OH-OE2 3.1Å; E50-E122 CarbonylContact O-C 3.59Å; E50-E122 WeakPolarHBondContact O-CA 3.43Å; L72-E122 WeakPolarHBondContact CA-O 3.37Å; L72-E122 HydrophobicContact CB-CB 4.24Å; L72-E122 WeakPolarHBondContact CB-O 3.47Å; L72-E122 PolarHBondContact N-O 3.39Å; A73-E122 HydrophobicContact CB-CB 3.75Å; A73-E122 HydrophobicContact CB-CG 3.86Å; A73-E122 PolarHBondContact N-O 3.08Å; A73-E122 PolarHBondContact O-N 2.92Å |
| 123 | L | 90.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.1 | -176.5 | -48.6 | 177.2 | 0 | 0 | 0 | 111.2 | E50 L52 L58 Y69 A70 V71 L76 | E50-L123 HydrophobicContact CB-CB 4.23Å; E50-L123 PolarHBondContact N-O 3.02Å; E50-L123 PolarHBondContact O-N 2.76Å; L52-L123 HydrophobicContact CD1-CD1 3.73Å; L58-L123 HydrophobicContact CD2-CD1 3.66Å; L58-L123 HydrophobicContact CG-CD1 4.46Å; Y69-L123 HydrophobicContact CD1-CD1 4.09Å; A70-L123 CarbonylContact O-C 3.54Å; A70-L123 WeakPolarHBondContact O-CA 3.46Å; V71-L123 HydrophobicContact CB-CD2 4.12Å; V71-L123 HydrophobicContact CG1-CD2 4.06Å; V71-L123 HydrophobicContact CG2-CD2 3.88Å; L76-L123 HydrophobicContact CD1-CD2 3.98Å; L76-L123 HydrophobicContact CD2-CD1 4.28Å |
| 124 | L | 91.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.5 | 160.2 | 179.7 | 67.4 | 0 | 0 | 0 | 108.2 | L26 F32 I43 Y48 Y69 A70 L72 | L26-L124 HydrophobicContact CD1-CD2 4.03Å; L26-L124 HydrophobicContact CD2-CD2 4.11Å; F32-L124 HydrophobicContact CE2-CD2 3.82Å; F32-L124 HydrophobicContact CZ-CD2 3.75Å; I43-L124 HydrophobicContact CG2-CD2 3.62Å; Y48-L124 CarbonylContact O-C 3.55Å; Y48-L124 WeakPolarHBondContact O-CA 3.34Å; Y69-L124 CarbonylContact C-O 3.59Å; Y69-L124 VanDerWaalsContact CA-O 3.24Å; Y69-L124 WeakPolarHBondContact CA-O 3.07Å; A70-L124 HydrophobicContact CB-CB 4.32Å; A70-L124 PolarHBondContact N-O 3.29Å; A70-L124 PolarHBondContact O-N 3.41Å; L72-L124 HydrophobicContact CD1-CB 4.18Å; L72-L124 HydrophobicContact CD2-CB 4.22Å; L72-L124 HydrophobicContact CG-CB 4.23Å |
| 125 | R | 94.1 | Very high | 91 | Very high | 49 Ų | 49 | 41.5 Ų | 41.5 | 19% | 0.185 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.4 | 179.7 | -175 | -168.8 | 87.3 | 176.3 | 12.1 | 110.1 | Y48 E50 N67 W68 Y69 E127 | Y48-R125 PolarHBondContact N-O 3.06Å; Y48-R125 PolarHBondContact O-N 3.44Å; E50-R125 HydrophobicContact CG-CB 4.07Å; E50-R125 IonicContact OE1-CZ 3.32Å; E50-R125 IonicContact OE1-NE 3.93Å; E50-R125 IonicContact OE1-NH1 3.51Å; E50-R125 PolarHBondContact OE1-NH1 3.39Å; N67-R125 HydrophobicContact CB-CG 3.68Å; W68-R125 CarbonylContact O-C 3.53Å; W68-R125 WeakPolarHBondContact O-CA 3.43Å; Y69-R125 HydrophobicContact CD1-CB 4.04Å; Y69-R125 HydrophobicContact CD1-CG 3.97Å; Y69-R125 HydrophobicContact CE1-CB 4.02Å; Y69-R125 HydrophobicContact CE1-CG 3.55Å; R125-E127 IonicContact NH2-OE1 3.57Å; R125-E127 PolarHBondContact NH2-OE1 2.75Å |
| 126 | I | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.2 | 173.2 | -53.2 | -179.5 | 0 | 0 | 0 | 108.5 | I43 N67 W68 D130 F131 L134 | I43-I126 HydrophobicContact CB-CD1 4.43Å; I43-I126 HydrophobicContact CG1-CD1 4.02Å; I43-I126 HydrophobicContact CG2-CD1 3.9Å; N67-I126 CarbonylContact C-O 3.41Å; N67-I126 VanDerWaalsContact CA-O 3.29Å; N67-I126 WeakPolarHBondContact CA-O 3.46Å; W68-I126 HydrophobicContact CE3-CB 4.15Å; W68-I126 HydrophobicContact CE3-CD1 3.62Å; W68-I126 HydrophobicContact CE3-CG1 3.86Å; W68-I126 HydrophobicContact CZ3-CD1 3.63Å; W68-I126 HydrophobicContact CZ3-CG1 4.15Å; W68-I126 PolarHBondContact N-O 2.7Å; W68-I126 PolarHBondContact O-N 3.32Å; I126-D130 HydrophobicContact CG2-CB 4.04Å; I126-F131 HydrophobicContact CB-CB 4.46Å; I126-F131 HydrophobicContact CD1-CD2 4.45Å; I126-F131 HydrophobicContact CG2-CB 3.86Å; I126-F131 HydrophobicContact CG2-CD2 4.45Å; I126-L134 HydrophobicContact CD1-CD1 4.3Å; I126-L134 HydrophobicContact CG2-CD1 4.47Å |
| 127 | E | 94.8 | Very high | 90.6 | Very high | 70 Ų | 70 | 53 Ų | 53 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 150.5 | 179 | -62.6 | -171.8 | 170 | 0 | 0 | 111.4 | Y48 R125 K129 D130 F131 | Y48-E127 HydrophobicContact CD2-CG 4.35Å; Y48-E127 HydrophobicContact CE2-CG 3.92Å; R125-E127 IonicContact NH2-OE1 3.57Å; R125-E127 PolarHBondContact NH2-OE1 2.75Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 2.91Å; E127-D130 PolarHBondContact O-N 3.12Å; E127-D130 VanDerWaalsContact O-N 3.15Å; E127-F131 WeakPolarHBondContact O-CB 3.17Å; E127-F131 PolarHBondContact O-N 2.93Å |
| 128 | Q | 93.8 | Very high | 90.4 | Very high | 54 Ų | 54 | 54 Ų | 54 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -51.6 | -44.2 | -175.4 | 176.3 | -177.6 | 45.4 | 0 | 0 | 113.8 | T66 I105 N108 D130 F131 K132 | T66-Q128 VanDerWaalsContact O-CB 3.28Å; T66-Q128 WeakPolarHBondContact O-CB 3.38Å; T66-Q128 PolarHBondContact O-N 3.32Å; I105-Q128 HydrophobicContact CB-CB 4.29Å; I105-Q128 HydrophobicContact CB-CG 3.96Å; I105-Q128 HydrophobicContact CD1-CB 4.03Å; I105-Q128 HydrophobicContact CD1-CG 4.39Å; I105-Q128 HydrophobicContact CG1-CB 4.36Å; I105-Q128 HydrophobicContact CG1-CG 4.18Å; I105-Q128 PolarHBondContact O-NE2 3.49Å; N108-Q128 PolarHBondContact OD1-NE2 2.91Å; Q128-D130 PolarHBondContact O-N 3.45Å; Q128-F131 PolarHBondContact O-N 3.34Å; Q128-K132 VanDerWaalsContact O-CB 3.28Å; Q128-K132 WeakPolarHBondContact O-CB 3.26Å; Q128-K132 PolarHBondContact O-N 3.48Å |
| 129 | K | 93.6 | Very high | 90.3 | Very high | 169 Ų | 169 | 57.3 Ų | 57.3 | 74% | 0.735 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.2 | -47.9 | -178.5 | -178.7 | -174.7 | 173.5 | -170.6 | 0 | 111.2 | E127 A133 | E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 2.91Å; K129-A133 PolarHBondContact O-N 2.81Å; K129-A133 VanDerWaalsContact O-N 3.17Å |
| 130 | D | 92.6 | Very high | 90.3 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71 | -43.3 | -178.3 | -62.9 | -28.1 | 0 | 0 | 0 | 110.5 | C46 I126 E127 Q128 K132 A133 L134 | C46-D130 HydrophobicContact CB-CB 3.99Å; I126-D130 HydrophobicContact CG2-CB 4.04Å; E127-D130 PolarHBondContact O-N 3.12Å; E127-D130 VanDerWaalsContact O-N 3.15Å; Q128-D130 PolarHBondContact O-N 3.45Å; D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 3.36Å; D130-A133 PolarHBondContact O-N 2.89Å; D130-L134 VanDerWaalsContact O-CG 3.3Å; D130-L134 WeakPolarHBondContact O-CG 3.46Å; D130-L134 PolarHBondContact O-N 3.17Å |
| 131 | F | 93.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 177.8 | -170.4 | -113.9 | 0 | 0 | 0 | 112.3 | W68 E103 I105 L106 I126 E127 Q128 L134 W135 M142 L146 | W68-F131 HydrophobicContact CB-CB 4.41Å; W68-F131 HydrophobicContact CB-CD1 3.88Å; W68-F131 HydrophobicContact CB-CD2 3.95Å; W68-F131 HydrophobicContact CB-CE1 4.08Å; W68-F131 HydrophobicContact CB-CE2 4.17Å; W68-F131 HydrophobicContact CB-CG 3.81Å; W68-F131 HydrophobicContact CB-CZ 4.23Å; W68-F131 AromaticContact CD1-CE1 3.69Å; W68-F131 AromaticContact CD1-CE2 3.87Å; W68-F131 AromaticContact CD1-CZ 3.41Å; W68-F131 VanDerWaalsContact CD1-CZ 3.41Å; W68-F131 AromaticContact CD2-CD2 3.93Å; W68-F131 HydrophobicContact CD2-CD2 3.93Å; W68-F131 AromaticContact CD2-CE2 3.5Å; W68-F131 HydrophobicContact CD2-CE2 3.5Å; W68-F131 VanDerWaalsContact CD2-CE2 3.5Å; W68-F131 AromaticContact CD2-CZ 3.88Å; W68-F131 HydrophobicContact CD2-CZ 3.88Å; W68-F131 AromaticContact CE2-CE2 3.71Å; W68-F131 AromaticContact CE2-CZ 3.84Å; W68-F131 HydrophobicContact CE3-CD2 4.16Å; W68-F131 HydrophobicContact CE3-CE2 4.01Å; W68-F131 HydrophobicContact CG-CD1 4.14Å; W68-F131 AromaticContact CG-CD2 3.87Å; W68-F131 HydrophobicContact CG-CD2 3.87Å; W68-F131 AromaticContact CG-CE1 3.87Å; W68-F131 HydrophobicContact CG-CE1 3.87Å; W68-F131 AromaticContact CG-CE2 3.59Å; W68-F131 HydrophobicContact CG-CE2 3.59Å; W68-F131 HydrophobicContact CG-CG 4.14Å; W68-F131 AromaticContact CG-CZ 3.58Å; W68-F131 HydrophobicContact CG-CZ 3.58Å; W68-F131 HydrophobicContact CZ2-CE2 4.32Å; W68-F131 AromaticContact NE1-CE2 3.94Å; W68-F131 AromaticContact NE1-CZ 3.57Å; E103-F131 HydrophobicContact CB-CE1 4.14Å; I105-F131 HydrophobicContact CD1-CB 4.41Å; I105-F131 HydrophobicContact CD1-CD1 4.02Å; I105-F131 HydrophobicContact CG1-CD1 4.19Å; L106-F131 HydrophobicContact CD1-CD1 4.42Å; L106-F131 HydrophobicContact CD1-CE1 3.81Å; L106-F131 HydrophobicContact CD2-CD1 3.65Å; L106-F131 HydrophobicContact CD2-CE1 3.89Å; L106-F131 HydrophobicContact CG-CD1 3.96Å; L106-F131 HydrophobicContact CG-CE1 3.81Å; I126-F131 HydrophobicContact CB-CB 4.46Å; I126-F131 HydrophobicContact CD1-CD2 4.45Å; I126-F131 HydrophobicContact CG2-CB 3.86Å; I126-F131 HydrophobicContact CG2-CD2 4.45Å; E127-F131 WeakPolarHBondContact O-CB 3.17Å; E127-F131 PolarHBondContact O-N 2.93Å; Q128-F131 PolarHBondContact O-N 3.34Å; F131-L134 PolarHBondContact O-N 3.29Å; F131-W135 WeakPolarHBondContact O-CB 3.41Å; F131-W135 PolarHBondContact O-N 3.47Å; F131-M142 HydrophobicContact CE2-SD 4.49Å; F131-L146 HydrophobicContact CZ-CD1 4.25Å; F131-L146 HydrophobicContact CZ-CD2 3.94Å |
| 132 | K | 91.4 | Very high | 90 | Very high | 84 Ų | 84 | 61.3 Ų | 61.3 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 175 | -172.9 | 170.6 | -179.1 | 169.9 | 0 | 112 | L106 Q128 D130 L134 W135 E136 | L106-K132 HydrophobicContact CD2-CB 4.16Å; L106-K132 HydrophobicContact CD2-CG 4.41Å; Q128-K132 VanDerWaalsContact O-CB 3.28Å; Q128-K132 WeakPolarHBondContact O-CB 3.26Å; Q128-K132 PolarHBondContact O-N 3.48Å; D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 3.36Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 2.88Å; K132-W135 PolarHBondContact O-N 3.35Å; K132-E136 VanDerWaalsContact CE-OE1 3.26Å; K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 WeakPolarHBondContact O-CG 3.41Å; K132-E136 PolarHBondContact O-N 2.9Å |
| 133 | A | 91 | Very high | 89.8 | Confident | 57 Ų | 57 | 60 Ų | 60 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K129 D130 K137 | K129-A133 PolarHBondContact O-N 2.81Å; K129-A133 VanDerWaalsContact O-N 3.17Å; D130-A133 PolarHBondContact O-N 2.89Å; A133-K137 WeakPolarHBondContact O-CB 3.41Å; A133-K137 PolarHBondContact O-N 3.29Å |
| 134 | L | 90 | Very high | 89.1 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 174.5 | -67.6 | 175.4 | 0 | 0 | 0 | 111.6 | L39 Q42 I43 I126 D130 F131 K132 K137 Y138 M142 | L39-L134 HydrophobicContact CD1-CB 4.34Å; L39-L134 HydrophobicContact CD1-CD2 4.08Å; Q42-L134 HydrophobicContact CB-CD2 3.45Å; Q42-L134 VanDerWaalsContact CB-CD2 3.45Å; Q42-L134 HydrophobicContact CG-CD2 4.26Å; I43-L134 HydrophobicContact CG1-CD1 3.91Å; I126-L134 HydrophobicContact CD1-CD1 4.3Å; I126-L134 HydrophobicContact CG2-CD1 4.47Å; D130-L134 VanDerWaalsContact O-CG 3.3Å; D130-L134 WeakPolarHBondContact O-CG 3.46Å; D130-L134 PolarHBondContact O-N 3.17Å; F131-L134 PolarHBondContact O-N 3.29Å; K132-L134 VanDerWaalsContact C-N 3.34Å; K132-L134 PolarHBondContact O-N 2.88Å; L134-K137 PolarHBondContact O-N 2.74Å; L134-Y138 HydrophobicContact CD2-CD2 4.45Å; L134-Y138 HydrophobicContact CD2-CE2 4.43Å; L134-Y138 WeakPolarHBondContact O-CB 3.48Å; L134-Y138 WeakPolarHBondContact O-CD2 3.4Å; L134-Y138 PolarHBondContact O-N 2.8Å; L134-M142 HydrophobicContact CB-CE 3.79Å |
| 135 | W | 90.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | -179.5 | 179.7 | 70.1 | 0 | 0 | 0 | 112 | L106 F131 K132 K137 Y138 R139 M142 Y150 | L106-W135 HydrophobicContact CD1-CB 4.37Å; L106-W135 HydrophobicContact CD1-CD2 3.72Å; L106-W135 HydrophobicContact CD1-CE3 4.18Å; L106-W135 HydrophobicContact CD1-CG 3.81Å; L106-W135 HydrophobicContact CD1-CZ2 4.41Å; L106-W135 HydrophobicContact CD2-CB 3.84Å; L106-W135 HydrophobicContact CD2-CD2 4Å; L106-W135 HydrophobicContact CD2-CE3 3.88Å; L106-W135 HydrophobicContact CD2-CG 4.02Å; L106-W135 HydrophobicContact CG-CD2 4.41Å; L106-W135 HydrophobicContact CG-CE3 4.45Å; F131-W135 WeakPolarHBondContact O-CB 3.41Å; F131-W135 PolarHBondContact O-N 3.47Å; K132-W135 PolarHBondContact O-N 3.35Å; W135-K137 VanDerWaalsContact C-N 3.27Å; W135-K137 PolarHBondContact O-N 2.98Å; W135-Y138 PolarHBondContact O-N 2.81Å; W135-R139 WeakPolarHBondContact O-CA 3.47Å; W135-R139 WeakPolarHBondContact O-CB 3.48Å; W135-R139 PolarHBondContact O-N 3.36Å; W135-M142 HydrophobicContact CB-SD 4.17Å; W135-Y150 PolarHBondContact NE1-O 2.92Å; W135-Y150 VanDerWaalsContact NE1-O 3.08Å |
| 136 | E | 90.1 | Very high | 88.2 | Confident | 129 Ų | 129 | 59.9 Ų | 59.9 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60 | -38 | 176.6 | -74.2 | 174.4 | -174.5 | 0 | 0 | 112.1 | K132 | K132-E136 VanDerWaalsContact CE-OE1 3.26Å; K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 WeakPolarHBondContact O-CG 3.41Å; K132-E136 PolarHBondContact O-N 2.9Å |
| 137 | K | 88.9 | Confident | 87.7 | Confident | 140 Ų | 140 | 60 Ų | 60 | 61% | 0.609 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -81.7 | -34.4 | -178.6 | -171.9 | 174.5 | 177.7 | -169.5 | 0 | 114 | A133 L134 W135 | A133-K137 WeakPolarHBondContact O-CB 3.41Å; A133-K137 PolarHBondContact O-N 3.29Å; L134-K137 PolarHBondContact O-N 2.74Å; W135-K137 VanDerWaalsContact C-N 3.27Å; W135-K137 PolarHBondContact O-N 2.98Å |
| 138 | Y | 87.7 | Confident | 86.9 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -122.2 | 19.8 | -170.4 | -61.2 | -77.5 | 0 | 0 | 0 | 113.8 | N38 L39 Q42 L134 W135 Q140 Y141 M142 | N38-Y138 HydrophobicContact CB-CE1 4.48Å; L39-Y138 HydrophobicContact CB-CD1 4.05Å; L39-Y138 HydrophobicContact CB-CD2 4.25Å; L39-Y138 HydrophobicContact CB-CE1 4.34Å; L39-Y138 HydrophobicContact CB-CG 4.01Å; L39-Y138 HydrophobicContact CD1-CD2 3.66Å; L39-Y138 HydrophobicContact CD1-CE2 4.29Å; L39-Y138 HydrophobicContact CD1-CG 3.96Å; L39-Y138 HydrophobicContact CD2-CG 4.43Å; L39-Y138 HydrophobicContact CG-CD2 4.46Å; L39-Y138 HydrophobicContact CG-CG 4.35Å; Q42-Y138 HydrophobicContact CG-CE2 4.32Å; L134-Y138 HydrophobicContact CD2-CD2 4.45Å; L134-Y138 HydrophobicContact CD2-CE2 4.43Å; L134-Y138 WeakPolarHBondContact O-CB 3.48Å; L134-Y138 WeakPolarHBondContact O-CD2 3.4Å; L134-Y138 PolarHBondContact O-N 2.8Å; W135-Y138 PolarHBondContact O-N 2.81Å; Y138-Q140 PolarHBondContact O-N 3.25Å; Y138-Y141 AromaticContact CD1-CD2 3.97Å; Y138-Y141 HydrophobicContact CD1-CD2 3.97Å; Y138-Y141 HydrophobicContact CD1-CE2 4.21Å; Y138-Y141 PolarHBondContact O-N 2.78Å; Y138-M142 PolarHBondContact O-N 2.82Å |
| 139 | R | 84.9 | Confident | 86.3 | Confident | 128 Ų | 128 | 60 Ų | 60 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -43.4 | -45 | -175.1 | -167.3 | 169.3 | -176 | 159.2 | 1.1 | 114.3 | W135 Y141 M142 A143 | W135-R139 WeakPolarHBondContact O-CA 3.47Å; W135-R139 WeakPolarHBondContact O-CB 3.48Å; W135-R139 PolarHBondContact O-N 3.36Å; R139-Y141 VanDerWaalsContact C-N 3.28Å; R139-Y141 PolarHBondContact O-N 3.19Å; R139-M142 PolarHBondContact O-N 3.34Å; R139-M142 VanDerWaalsContact O-N 3.15Å; R139-A143 PolarHBondContact O-N 2.85Å |
| 140 | Q | 83.9 | Confident | 85.8 | Confident | 144 Ų | 144 | 52.8 Ų | 52.8 | 67% | 0.673 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.7 | -34.6 | -179.4 | 65.3 | -172.4 | 5.2 | 0 | 0 | 113.7 | Y138 | Y138-Q140 PolarHBondContact O-N 3.25Å |
| 141 | Y | 81.8 | Confident | 85.3 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 35% | 0.349 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -82.5 | -23.6 | 178.9 | -57.9 | -71.5 | 0 | 0 | 0 | 112.4 | H36 Y138 R139 | H36-Y141 HydrophobicContact CB-CD1 4.08Å; H36-Y141 HydrophobicContact CB-CD2 4.29Å; H36-Y141 HydrophobicContact CB-CE1 4.04Å; H36-Y141 HydrophobicContact CB-CE2 4.22Å; H36-Y141 HydrophobicContact CB-CG 4.21Å; Y138-Y141 AromaticContact CD1-CD2 3.97Å; Y138-Y141 HydrophobicContact CD1-CD2 3.97Å; Y138-Y141 HydrophobicContact CD1-CE2 4.21Å; Y138-Y141 PolarHBondContact O-N 2.78Å; R139-Y141 VanDerWaalsContact C-N 3.28Å; R139-Y141 PolarHBondContact O-N 3.19Å |
| 142 | M | 84.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -90.3 | -16.8 | 178.5 | -64.7 | -171.5 | 174.4 | 0 | 0 | 113.4 | F35 L39 F131 L134 W135 Y138 R139 G144 L145 L146 | F35-M142 HydrophobicContact CE1-CG 4.19Å; F35-M142 HydrophobicContact CZ-CG 3.97Å; L39-M142 HydrophobicContact CD1-CE 3.38Å; L39-M142 HydrophobicContact CD2-CE 3.73Å; L39-M142 HydrophobicContact CD2-CG 4Å; L39-M142 HydrophobicContact CG-CE 4.15Å; F131-M142 HydrophobicContact CE2-SD 4.49Å; L134-M142 HydrophobicContact CB-CE 3.79Å; W135-M142 HydrophobicContact CB-SD 4.17Å; Y138-M142 PolarHBondContact O-N 2.82Å; R139-M142 PolarHBondContact O-N 3.34Å; R139-M142 VanDerWaalsContact O-N 3.15Å; M142-G144 PolarHBondContact O-N 3.24Å; M142-L145 PolarHBondContact O-N 3.33Å; M142-L146 HydrophobicContact CB-CD1 3.96Å; M142-L146 HydrophobicContact CB-CG 4.19Å; M142-L146 PolarHBondContact O-N 3.16Å; M142-L146 HydrophobicContact SD-CD1 4.37Å |
| 143 | A | 83.3 | Confident | 84 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R139 L145 G151 V152 | R139-A143 PolarHBondContact O-N 2.85Å; A143-L145 VanDerWaalsContact C-N 3.33Å; A143-G151 CarbonylContact O-C 3.55Å; A143-G151 VanDerWaalsContact O-CA 3.28Å; A143-G151 WeakPolarHBondContact O-CA 3.34Å; A143-V152 HydrophobicContact CB-CG1 4.42Å; A143-V152 WeakPolarHBondContact O-CG2 3.45Å; A143-V152 PolarHBondContact O-N 3.1Å |
| 144 | G | 77.4 | Confident | 83.3 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -20.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | M142 R427 | M142-G144 PolarHBondContact O-N 3.24Å; G144-R427 PolarHBondContact O-NE 3.06Å; G144-R427 PolarHBondContact O-NH2 3.38Å |
| 145 | L | 81.6 | Confident | 82.5 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -44.4 | -179.8 | -178.9 | 67.7 | 0 | 0 | 0 | 112.5 | A31 F35 W68 A100 M142 A143 | A31-L145 HydrophobicContact CB-CD1 3.71Å; A31-L145 HydrophobicContact CB-CD2 4.13Å; F35-L145 HydrophobicContact CE1-CB 4.27Å; F35-L145 HydrophobicContact CE1-CD2 3.82Å; F35-L145 HydrophobicContact CE2-CD2 4.4Å; F35-L145 HydrophobicContact CZ-CD2 3.42Å; F35-L145 VanDerWaalsContact CZ-CD2 3.42Å; W68-L145 HydrophobicContact CZ2-CD2 4.18Å; A100-L145 HydrophobicContact CB-CD2 4.45Å; M142-L145 PolarHBondContact O-N 3.33Å; A143-L145 VanDerWaalsContact C-N 3.33Å |
| 146 | L | 84.9 | Confident | 81.1 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -80.7 | 148.7 | -170.4 | -55.2 | -179.3 | 0 | 0 | 0 | 112.5 | E103 L106 F131 M142 G151 R427 | E103-L146 HydrophobicContact CB-CD2 4.08Å; L106-L146 HydrophobicContact CD1-CD1 4.2Å; F131-L146 HydrophobicContact CZ-CD1 4.25Å; F131-L146 HydrophobicContact CZ-CD2 3.94Å; M142-L146 HydrophobicContact CB-CD1 3.96Å; M142-L146 HydrophobicContact CB-CG 4.19Å; M142-L146 PolarHBondContact O-N 3.16Å; M142-L146 HydrophobicContact SD-CD1 4.37Å; L146-G151 WeakPolarHBondContact O-CA 3.39Å; L146-R427 PolarHBondContact O-NH2 3.21Å |
| 147 | A | 81.8 | Confident | 79.6 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 153.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E103 Y150 G151 V399 | E103-A147 WeakPolarHBondContact OE1-CB 3.47Å; E103-A147 PolarHBondContact OE1-N 2.57Å; A147-Y150 WeakPolarHBondContact O-CB 3.44Å; A147-Y150 VanDerWaalsContact O-CD2 3.32Å; A147-Y150 WeakPolarHBondContact O-CD2 3.37Å; A147-Y150 PolarHBondContact O-N 2.85Å; A147-G151 PolarHBondContact O-N 3.47Å; A147-V399 HydrophobicContact CB-CB 4.3Å; A147-V399 HydrophobicContact CB-CG1 3.79Å |
| 148 | P | 77.5 | Confident | 77.9 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 144.5 | 167.3 | -23.1 | 33.9 | 0 | 0 | 0 | 111.7 | M153 V399 | P148-M153 VanDerWaalsContact CG-CA 3.44Å; P148-M153 HydrophobicContact CG-CB 3.72Å; P148-M153 HydrophobicContact CG-CG 4.19Å; P148-V399 HydrophobicContact CG-CG2 4.28Å |
| 149 | P | 81.8 | Confident | 75.9 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 60% | 0.597 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.2 | 3.8 | 4.9 | 34.9 | -37.2 | 0 | 0 | 0 | 114.9 | ||
| 150 | Y | 83.5 | Confident | 73.5 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -30.9 | -172.3 | -42.1 | -71.8 | 0 | 0 | 0 | 113.1 | E103 S104 L106 D107 W135 A147 | E103-Y150 HydrophobicContact CB-CD2 4.15Å; E103-Y150 HydrophobicContact CG-CD2 3.45Å; E103-Y150 VanDerWaalsContact CG-CD2 3.45Å; E103-Y150 HydrophobicContact CG-CE2 3.89Å; E103-Y150 HydrophobicContact CG-CG 4.26Å; S104-Y150 WeakPolarHBondContact CA-OH 3.36Å; L106-Y150 HydrophobicContact CB-CD1 3.63Å; L106-Y150 HydrophobicContact CB-CE1 3.73Å; L106-Y150 HydrophobicContact CD1-CD1 3.64Å; L106-Y150 HydrophobicContact CD1-CE1 4.47Å; L106-Y150 HydrophobicContact CD1-CG 3.8Å; L106-Y150 HydrophobicContact CG-CD1 4.25Å; D107-Y150 HydrophobicContact CB-CE1 4.22Å; D107-Y150 PolarHBondContact OD1-OH 3.02Å; D107-Y150 PolarHBondContact OD2-OH 3.25Å; D107-Y150 VanDerWaalsContact OD2-OH 3.06Å; W135-Y150 PolarHBondContact NE1-O 2.92Å; W135-Y150 VanDerWaalsContact NE1-O 3.08Å; A147-Y150 WeakPolarHBondContact O-CB 3.44Å; A147-Y150 VanDerWaalsContact O-CD2 3.32Å; A147-Y150 WeakPolarHBondContact O-CD2 3.37Å; A147-Y150 PolarHBondContact O-N 2.85Å |
| 151 | G | 81.9 | Confident | 71.1 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -125.1 | -157.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A143 L146 A147 | A143-G151 CarbonylContact O-C 3.55Å; A143-G151 VanDerWaalsContact O-CA 3.28Å; A143-G151 WeakPolarHBondContact O-CA 3.34Å; L146-G151 WeakPolarHBondContact O-CA 3.39Å; A147-G151 PolarHBondContact O-N 3.47Å |
| 152 | V | 83.7 | Confident | 68.5 | Low | 62 Ų | 62 | 64.1 Ų | 64.1 | 38% | 0.376 | 36% | 0.359 | S | S | . | . | trans | -90.8 | 151.6 | 177 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | A143 E154 T155 R427 | A143-V152 HydrophobicContact CB-CG1 4.42Å; A143-V152 WeakPolarHBondContact O-CG2 3.45Å; A143-V152 PolarHBondContact O-N 3.1Å; V152-E154 WeakPolarHBondContact CG2-O 2.86Å; V152-T155 HydrophobicContact CG2-CG2 3.56Å; V152-R427 PolarHBondContact O-NH1 3.27Å; V152-R427 PolarHBondContact O-NH2 3.17Å | ||
| 153 | M | 72.9 | Confident | 66.1 | Low | 100 Ų | 100 | 69.9 Ų | 69.9 | 49% | 0.493 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -74.2 | -38.2 | 177.4 | -173 | 160.6 | 174.9 | 0 | 0 | 111.7 | P148 N391 | P148-M153 VanDerWaalsContact CG-CA 3.44Å; P148-M153 HydrophobicContact CG-CB 3.72Å; P148-M153 HydrophobicContact CG-CG 4.19Å; M153-N391 PolarHBondContact O-ND2 3.46Å |
| 154 | E | 76.3 | Confident | 63.5 | Low | 58 Ų | 58 | 76.2 Ų | 76.2 | 27% | 0.271 | 43% | 0.427 | S | S | . | . | trans | -133.6 | 144.2 | 178.7 | -67.4 | 172.8 | -166.3 | 0 | 0 | 109.6 | V152 N158 G369 R427 | V152-E154 WeakPolarHBondContact CG2-O 2.86Å; E154-N158 PolarHBondContact OE2-ND2 3.16Å; E154-G369 WeakPolarHBondContact OE1-CA 3.46Å; E154-R427 WeakPolarHBondContact CA-O 3.45Å | ||
| 155 | T | 74.5 | Confident | 61.5 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | trans | -110.2 | 5.1 | 173.4 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | V152 R427 | V152-T155 HydrophobicContact CG2-CG2 3.56Å; T155-R427 PolarHBondContact N-O 3.24Å | ||
| 156 | G | 61 | Low | 59.1 | Low | 20 Ų | 20 | 91.9 Ų | 91.9 | 21% | 0.206 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -81.9 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N158 D429 | G156-N158 PolarHBondContact O-N 2.83Å; G156-D429 WeakPolarHBondContact CA-OD2 3.41Å |
| 157 | S | 57.7 | Low | 56.6 | Low | 86 Ų | 86 | 100.1 Ų | 100.1 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -67.1 | 14.6 | -165.8 | -131.9 | 0 | 0 | 0 | 0 | 117.6 | N159 D429 | S157-N159 PolarHBondContact O-N 2.73Å; S157-N159 VanDerWaalsContact O-N 3.08Å; S157-D429 PolarHBondContact N-OD2 2.93Å |
| 158 | N | 53.5 | Low | 54 | Low | 71 Ų | 71 | 105 Ų | 105 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.6 | -2.7 | -171.3 | -92 | -31.7 | 0 | 0 | 0 | 115.6 | E154 G156 R161 | E154-N158 PolarHBondContact OE2-ND2 3.16Å; G156-N158 PolarHBondContact O-N 2.83Å; N158-R161 PolarHBondContact OD1-NH2 2.68Å; N158-R161 VanDerWaalsContact OD1-NH2 3.14Å |
| 159 | N | 46.2 | Very low | 51.7 | Low | 164 Ų | 164 | 108.2 Ų | 108.2 | 88% | 0.877 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -9.6 | 178.7 | -114 | 4 | 0 | 0 | 0 | 114.7 | S157 | S157-N159 PolarHBondContact O-N 2.73Å; S157-N159 VanDerWaalsContact O-N 3.08Å |
| 160 | D | 34.3 | Very low | 49.6 | Very low | 144 Ų | 144 | 112.4 Ų | 112.4 | 77% | 0.77 | 60% | 0.599 | S | S | * | * | trans | -106.2 | 84 | 174.1 | -71.1 | -34.4 | 0 | 0 | 0 | 110.4 | ||||
| 161 | R | 32.3 | Very low | 47.4 | Very low | 199 Ų | 199 | 117.6 Ų | 117.6 | 75% | 0.751 | 63% | 0.627 | S | S | * | * | trans | -119 | 101.3 | 169 | -75.6 | -170.2 | -174.5 | -175.7 | 5.3 | 111.6 | N158 | N158-R161 PolarHBondContact OD1-NH2 2.68Å; N158-R161 VanDerWaalsContact OD1-NH2 3.14Å | ||
| 162 | I | 28 | Very low | 44.8 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | trans | -87 | 138.1 | 142.3 | -63.7 | 173.4 | 0 | 0 | 0 | 106 | D164 | I162-D164 PolarHBondContact O-N 2.82Å; I162-D164 VanDerWaalsContact O-N 3.1Å | ||
| 163 | P | 33.6 | Very low | 42.3 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | trans | -83.9 | 91.6 | -171.9 | 33.2 | -31.1 | 0 | 0 | 0 | 110.5 | ||||
| 164 | D | 29.1 | Very low | 40.3 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | trans | -97.7 | 128.4 | 163.6 | -89.6 | -30.5 | 0 | 0 | 0 | 111.5 | I162 E166 | I162-D164 PolarHBondContact O-N 2.82Å; I162-D164 VanDerWaalsContact O-N 3.1Å; D164-E166 PolarHBondContact O-N 3.1Å | ||
| 165 | K | 34.6 | Very low | 38.1 | Very low | 209 Ų | 209 | 132 Ų | 132 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | trans | -70.3 | 84.9 | -179.4 | -74.5 | 175.3 | 170.2 | 175.5 | 0 | 110.8 | ||||
| 166 | E | 31.7 | Very low | 36.3 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -144.8 | 75.1 | 152.9 | -75.1 | -154.8 | 169.4 | 0 | 0 | 110.1 | D164 T168 | D164-E166 PolarHBondContact O-N 3.1Å; E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.32Å | ||
| 167 | N | 32.1 | Very low | 35.4 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 94% | 0.941 | 74% | 0.741 | S | S | * | * | trans | -83.6 | 84 | 160.6 | -89.3 | -14 | 0 | 0 | 0 | 108.3 | ||||
| 168 | T | 26.7 | Very low | 35.1 | Very low | 105 Ų | 105 | 144 Ų | 144 | 64% | 0.644 | 74% | 0.743 | S | S | * | * | trans | -122.6 | 122.1 | 164.1 | -31 | 0 | 0 | 0 | 0 | 107.2 | E166 L170 | E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.32Å; T168-L170 PolarHBondContact O-N 3.25Å | ||
| 169 | P | 30.6 | Very low | 35 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | trans | -65.6 | 125.5 | 174 | 24.1 | -25.7 | 0 | 0 | 0 | 108.7 | I171 | P169-I171 PolarHBondContact O-N 3.11Å; P169-I171 VanDerWaalsContact O-N 3.16Å | ||
| 170 | L | 37.3 | Very low | 35.5 | Very low | 180 Ų | 180 | 136 Ų | 136 | 94% | 0.942 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -76.5 | 12.8 | 174.3 | -81.9 | 165.9 | 0 | 0 | 0 | 113 | T168 | T168-L170 PolarHBondContact O-N 3.25Š|
| 171 | I | 37.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | trans | -141.7 | 95 | -178.3 | -51 | 176.8 | 0 | 0 | 0 | 108.1 | P169 | P169-I171 PolarHBondContact O-N 3.11Å; P169-I171 VanDerWaalsContact O-N 3.16Å | ||
| 172 | E | 26.7 | Very low | 38.3 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 67% | 0.673 | 67% | 0.672 | S | S | * | * | trans | -75.7 | 144.7 | 152.9 | -76.5 | -175.2 | 167.5 | 0 | 0 | 108.4 | H174 | E172-H174 PolarHBondContact O-N 3.15Š| ||
| 173 | P | 31.2 | Very low | 39.9 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 6.5 | -172.6 | -19.8 | 31.8 | 0 | 0 | 0 | 116.7 | ||
| 174 | H | 31.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 115.6 Ų | 115.6 | 83% | 0.833 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | 19 | -168.9 | -72.9 | -55.1 | 0 | 0 | 0 | 116.8 | E172 | E172-H174 PolarHBondContact O-N 3.15Š|
| 175 | V | 29.9 | Very low | 42.6 | Very low | 104 Ų | 104 | 116.6 Ų | 116.6 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 127.1 | 175 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | L177 | V175-L177 PolarHBondContact O-N 3.35Š|
| 176 | P | 35.8 | Very low | 44 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 76% | 0.76 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124.7 | 175.3 | -18 | 29.2 | 0 | 0 | 0 | 110.9 | R178 | P176-R178 PolarHBondContact O-N 2.92Š|
| 177 | L | 43.3 | Very low | 46.1 | Very low | 121 Ų | 121 | 105.9 Ų | 105.9 | 63% | 0.634 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 128.1 | 172 | -82.3 | 144.9 | 0 | 0 | 0 | 110.1 | V175 | V175-L177 PolarHBondContact O-N 3.35Š|
| 178 | R | 50.2 | Low | 48.3 | Very low | 172 Ų | 172 | 100 Ų | 100 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 130.4 | 168.7 | -73.5 | -171.6 | -177.3 | -177.1 | 1 | 108.7 | P176 A180 N181 | P176-R178 PolarHBondContact O-N 2.92Å; R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 3.43Å; R178-N181 PolarHBondContact O-N 3.06Å |
| 179 | P | 52.9 | Low | 51.1 | Low | 54 Ų | 54 | 103.2 Ų | 103.2 | 35% | 0.351 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.3 | -39.3 | -172.4 | -25 | 32.7 | 0 | 0 | 0 | 113.7 | N181 E265 H267 R321 | P179-N181 VanDerWaalsContact C-N 3.32Å; P179-N181 PolarHBondContact O-N 3.36Å; P179-E265 VanDerWaalsContact CB-O 3.27Å; P179-E265 WeakPolarHBondContact CB-O 3.38Å; P179-E265 VanDerWaalsContact CD-O 3.3Å; P179-E265 WeakPolarHBondContact CD-O 3.39Å; P179-E265 WeakPolarHBondContact CG-O 3.48Å; P179-H267 PolarHBondContact O-CE1 3.02Å; P179-H267 PolarHBondContact O-ND1 3.19Å; P179-H267 PolarHBondContact O-NE2 2.97Å; P179-R321 PolarHBondContact O-NH1 3.3Å |
| 180 | A | 55.6 | Low | 53.8 | Low | 14 Ų | 14 | 105.7 Ų | 105.7 | 12% | 0.116 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | 7.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116 | R178 T182 Q264 H266 | R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 3.43Å; A180-T182 PolarHBondContact O-N 3.15Å; A180-Q264 HydrophobicContact CB-CB 4.27Å; A180-Q264 WeakPolarHBondContact CB-O 3.49Å; A180-H266 VanDerWaalsContact CB-O 3.27Å; A180-H266 WeakPolarHBondContact CB-O 3.24Å |
| 181 | N | 62.7 | Low | 56.4 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | trans | -61.7 | 125.1 | 178.5 | -76.9 | 1.3 | 0 | 0 | 0 | 110.4 | R178 P179 R321 | R178-N181 PolarHBondContact O-N 3.06Å; P179-N181 VanDerWaalsContact C-N 3.32Å; P179-N181 PolarHBondContact O-N 3.36Å; N181-R321 PolarHBondContact O-NH1 2.91Å | ||
| 182 | T | 62.7 | Low | 58.9 | Low | 67 Ų | 67 | 95.1 Ų | 95.1 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | trans | -61.2 | 146.6 | 174.4 | 58.8 | 0 | 0 | 0 | 0 | 110 | A180 T184 E255 | A180-T182 PolarHBondContact O-N 3.15Å; T182-T184 WeakPolarHBondContact CB-O 3.28Å; T182-T184 PolarHBondContact OG1-O 3.44Å; T182-E255 WeakPolarHBondContact CA-O 3.36Å; T182-E255 WeakPolarHBondContact CB-O 3.41Å | ||
| 183 | I | 63.2 | Low | 62.1 | Low | 23 Ų | 23 | 91.9 Ų | 91.9 | 12% | 0.118 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -84.5 | -24.4 | 179.1 | -62 | 178.1 | 0 | 0 | 0 | 110.5 | E255 R321 H432 | I183-E255 HydrophobicContact CD1-CB 3.92Å; I183-E255 HydrophobicContact CD1-CG 4.34Å; I183-E255 VanDerWaalsContact CD1-OE2 3.23Å; I183-E255 WeakPolarHBondContact CD1-OE2 3.35Å; I183-E255 HydrophobicContact CG1-CB 4.18Å; I183-E255 PolarHBondContact N-O 2.92Å; I183-R321 VanDerWaalsContact CD1-NH2 3.31Å; I183-H432 WeakPolarHBondContact CG2-CE1 3.25Å; I183-H432 WeakPolarHBondContact CG2-NE2 3.29Å |
| 184 | T | 60.4 | Low | 65.1 | Low | 19 Ų | 19 | 86.6 Ų | 86.6 | 12% | 0.117 | 44% | 0.444 | C | S | . | . | trans | -116.4 | 146.8 | -178.9 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | T182 D256 | T182-T184 WeakPolarHBondContact CB-O 3.28Å; T182-T184 PolarHBondContact OG1-O 3.44Å; T184-D256 PolarHBondContact OG1-OD1 3.45Å | ||
| 185 | K | 57.9 | Low | 68.1 | Low | 177 Ų | 177 | 78.1 Ų | 78.1 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -80 | -27.2 | 172.9 | -73.4 | -173.7 | 176.2 | -176.3 | 0 | 112.7 | ||
| 186 | V | 64.6 | Low | 71.1 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 70% | 0.697 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -130.9 | 129.7 | -179.6 | -177 | 0 | 0 | 0 | 0 | 107.6 | ||
| 187 | P | 74.3 | Confident | 73.9 | Confident | 41 Ų | 41 | 71 Ų | 71 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | trans | -61.2 | 143.1 | 176.1 | -18.7 | 29.1 | 0 | 0 | 0 | 111.6 | D256 V258 | P187-D256 WeakPolarHBondContact CA-OD2 3.48Å; P187-D256 WeakPolarHBondContact CB-O 3.38Å; P187-D256 WeakPolarHBondContact CG-O 3.34Å; P187-V258 HydrophobicContact CB-CG2 3.75Å; P187-V258 HydrophobicContact CG-CG2 4.32Å | ||
| 188 | S | 79.6 | Confident | 76.4 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | trans | -63.3 | 137 | 169.8 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | K190 I191 L192 D256 | S188-K190 PolarHBondContact O-N 3.2Å; S188-K190 VanDerWaalsContact O-N 3.17Å; S188-I191 PolarHBondContact O-N 3.44Å; S188-L192 WeakPolarHBondContact O-CB 3.2Å; S188-L192 PolarHBondContact O-N 3.34Å; S188-D256 PolarHBondContact N-OD2 3.39Å | ||
| 189 | E | 85.2 | Confident | 78.6 | Confident | 172 Ų | 172 | 57.6 Ų | 57.6 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54 | -39 | 178.5 | -172.1 | 179.1 | -174 | 0 | 0 | 112.4 | R193 | E189-R193 WeakPolarHBondContact O-CB 3.47Å; E189-R193 PolarHBondContact O-N 3.43Å |
| 190 | K | 87.5 | Confident | 80.5 | Confident | 153 Ų | 153 | 55.3 Ų | 55.3 | 67% | 0.665 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.3 | -42.6 | 178 | -65.8 | -178 | -179.1 | 176.9 | 0 | 112.3 | S188 A194 | S188-K190 PolarHBondContact O-N 3.2Å; S188-K190 VanDerWaalsContact O-N 3.17Å; K190-A194 WeakPolarHBondContact O-CB 3.34Å; K190-A194 PolarHBondContact O-N 3.23Å |
| 191 | I | 90.6 | Very high | 82.4 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.1 | -36.6 | -178.7 | -59.4 | 173.8 | 0 | 0 | 0 | 110 | S188 A194 G195 V252 L253 D256 V258 M310 | S188-I191 PolarHBondContact O-N 3.44Å; I191-A194 WeakPolarHBondContact O-CB 3.29Å; I191-A194 PolarHBondContact O-N 3.4Å; I191-G195 PolarHBondContact O-N 3.32Å; I191-V252 HydrophobicContact CD1-CG1 3.95Å; I191-V252 HydrophobicContact CG1-CG1 4.28Å; I191-V252 HydrophobicContact CG2-CG1 4.37Å; I191-L253 HydrophobicContact CG2-CG 4.38Å; I191-D256 WeakPolarHBondContact CB-OD2 3.33Å; I191-D256 HydrophobicContact CD1-CB 3.96Å; I191-D256 WeakPolarHBondContact CD1-OD2 3.36Å; I191-D256 HydrophobicContact CG2-CB 4.02Å; I191-V258 HydrophobicContact CG2-CB 4.48Å; I191-V258 HydrophobicContact CG2-CG2 3.95Å; I191-M310 HydrophobicContact CD1-CE 3.84Å; I191-M310 HydrophobicContact CG1-CE 4.27Å |
| 192 | L | 91.4 | Very high | 83.9 | Confident | 70 Ų | 70 | 51 Ų | 51 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 172.6 | -175.1 | 65.7 | 0 | 0 | 0 | 111 | S188 A194 G195 K196 V258 L278 | S188-L192 WeakPolarHBondContact O-CB 3.2Å; S188-L192 PolarHBondContact O-N 3.34Å; L192-A194 PolarHBondContact O-N 3Å; L192-G195 PolarHBondContact O-N 3.48Å; L192-K196 PolarHBondContact O-N 2.77Å; L192-V258 HydrophobicContact CD1-CG2 4.3Å; L192-L278 HydrophobicContact CD1-CD2 3.81Å |
| 193 | R | 93.2 | Very high | 85.4 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.4 | 179.6 | 57.9 | 178.5 | -157.1 | -6.7 | 111.9 | E189 G195 K196 I197 E295 E299 | E189-R193 WeakPolarHBondContact O-CB 3.47Å; E189-R193 PolarHBondContact O-N 3.43Å; R193-G195 VanDerWaalsContact C-N 3.34Å; R193-G195 PolarHBondContact O-N 3.35Å; R193-K196 PolarHBondContact O-N 2.85Å; R193-I197 HydrophobicContact CG-CD1 3.92Å; R193-I197 WeakPolarHBondContact O-CD1 3.32Å; R193-I197 WeakPolarHBondContact O-CG1 3.16Å; R193-I197 PolarHBondContact O-N 3.15Å; R193-E295 IonicContact CZ-OE1 3.74Å; R193-E295 IonicContact NH1-OE1 2.78Å; R193-E295 PolarHBondContact NH1-OE1 2.87Å; R193-E295 IonicContact NH1-OE2 2.86Å; R193-E295 IonicContact NH2-OE1 2.68Å; R193-E295 PolarHBondContact NH2-OE1 2.85Å; R193-E295 IonicContact NH2-OE2 3.17Å; R193-E299 IonicContact CZ-OE1 2.66Å; R193-E299 IonicContact CZ-OE2 2.77Å; R193-E299 IonicContact NE-OE2 3.74Å; R193-E299 PolarHBondContact NE-OE2 2.81Å; R193-E299 IonicContact NH2-OE1 3.41Å; R193-E299 PolarHBondContact NH2-OE1 2.86Å; R193-E299 IonicContact NH2-OE2 3.67Å; R193-E299 PolarHBondContact NH2-OE2 3.47Å |
| 194 | A | 93.8 | Very high | 86.7 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K190 I191 L192 K196 I197 L198 T303 L307 | K190-A194 WeakPolarHBondContact O-CB 3.34Å; K190-A194 PolarHBondContact O-N 3.23Å; I191-A194 WeakPolarHBondContact O-CB 3.29Å; I191-A194 PolarHBondContact O-N 3.4Å; L192-A194 PolarHBondContact O-N 3Å; A194-K196 PolarHBondContact O-N 3.45Å; A194-I197 PolarHBondContact O-N 3.39Å; A194-L198 WeakPolarHBondContact O-CG 3.39Å; A194-L198 PolarHBondContact O-N 3.43Å; A194-T303 HydrophobicContact CB-CG2 3.59Å; A194-L307 HydrophobicContact CB-CD2 4.5Å |
| 195 | G | 94.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | I191 L192 R193 L198 R199 | I191-G195 PolarHBondContact O-N 3.32Å; L192-G195 PolarHBondContact O-N 3.48Å; R193-G195 VanDerWaalsContact C-N 3.34Å; R193-G195 PolarHBondContact O-N 3.35Å; G195-L198 PolarHBondContact O-N 2.71Å; G195-R199 WeakPolarHBondContact O-CB 3.44Å; G195-R199 PolarHBondContact O-N 2.76Å |
| 196 | K | 93.9 | Very high | 89.9 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 176.4 | -173.5 | 175.7 | 179.9 | -178 | 0 | 112.1 | L192 R193 A194 R199 N200 E292 | L192-K196 PolarHBondContact O-N 2.77Å; R193-K196 PolarHBondContact O-N 2.85Å; A194-K196 PolarHBondContact O-N 3.45Å; K196-R199 PolarHBondContact O-N 3.42Å; K196-N200 WeakPolarHBondContact O-CB 3.33Å; K196-N200 VanDerWaalsContact O-CG 3.23Å; K196-N200 PolarHBondContact O-N 2.91Å; K196-N200 PolarHBondContact O-OD1 3.08Å; K196-E292 VanDerWaalsContact CE-OE1 3.25Å; K196-E292 WeakPolarHBondContact CE-OE1 3.45Å; K196-E292 IonicContact NZ-OE1 2.79Å; K196-E292 PolarHBondContact NZ-OE1 3.48Å |
| 197 | I | 95.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 178.2 | -64.9 | 160.4 | 0 | 0 | 0 | 110.3 | R193 A194 R199 N200 A201 C296 E299 L300 T303 | R193-I197 HydrophobicContact CG-CD1 3.92Å; R193-I197 WeakPolarHBondContact O-CD1 3.32Å; R193-I197 WeakPolarHBondContact O-CG1 3.16Å; R193-I197 PolarHBondContact O-N 3.15Å; A194-I197 PolarHBondContact O-N 3.39Å; I197-R199 PolarHBondContact O-N 3.4Å; I197-N200 PolarHBondContact O-N 2.84Å; I197-A201 WeakPolarHBondContact O-CB 3.13Å; I197-A201 PolarHBondContact O-N 2.68Å; I197-C296 PolarHBondContact O-SG 3.37Å; I197-E299 HydrophobicContact CD1-CB 3.84Å; I197-E299 WeakPolarHBondContact CD1-OE2 3.49Å; I197-E299 HydrophobicContact CG1-CB 4.49Å; I197-L300 HydrophobicContact CG2-CB 4.43Å; I197-L300 HydrophobicContact CG2-CD1 4.24Å; I197-T303 WeakPolarHBondContact CD1-OG1 3.33Å |
| 198 | L | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 179.1 | -66.5 | -174.8 | 0 | 0 | 0 | 112.1 | A194 G195 N200 A201 I202 W232 M233 W250 L253 L300 T303 M304 L307 | A194-L198 WeakPolarHBondContact O-CG 3.39Å; A194-L198 PolarHBondContact O-N 3.43Å; G195-L198 PolarHBondContact O-N 2.71Å; L198-N200 PolarHBondContact O-N 3.27Å; L198-A201 PolarHBondContact O-N 3.42Å; L198-I202 VanDerWaalsContact O-CG1 3.27Å; L198-I202 WeakPolarHBondContact O-CG1 3.05Å; L198-I202 PolarHBondContact O-N 2.6Å; L198-W232 HydrophobicContact CD2-CH2 4.3Å; L198-W232 HydrophobicContact CD2-CZ3 4.12Å; L198-M233 HydrophobicContact CD1-CE 4.37Å; L198-W250 HydrophobicContact CB-CH2 4.4Å; L198-W250 HydrophobicContact CD1-CE3 4.37Å; L198-W250 HydrophobicContact CD1-CH2 3.7Å; L198-W250 HydrophobicContact CD1-CZ3 3.55Å; L198-L253 HydrophobicContact CD1-CD2 3.95Å; L198-L300 HydrophobicContact CD2-CD1 3.81Å; L198-T303 HydrophobicContact CD2-CG2 4.41Å; L198-T303 HydrophobicContact CG-CG2 4.41Å; L198-M304 HydrophobicContact CD2-CE 3.46Å; L198-M304 VanDerWaalsContact CD2-CE 3.46Å; L198-M304 HydrophobicContact CD2-SD 4.25Å; L198-L307 HydrophobicContact CD1-CD1 3.65Å; L198-L307 HydrophobicContact CG-CD1 4.49Å |
| 199 | R | 95.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 176.3 | 179.8 | -178 | 172.5 | -90.3 | 1.3 | 111 | G195 K196 I197 A201 I202 L203 I210 F277 D280 | G195-R199 WeakPolarHBondContact O-CB 3.44Å; G195-R199 PolarHBondContact O-N 2.76Å; K196-R199 PolarHBondContact O-N 3.42Å; I197-R199 PolarHBondContact O-N 3.4Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 3.05Å; R199-I202 PolarHBondContact O-N 3.15Å; R199-L203 HydrophobicContact CG-CD1 4.19Å; R199-L203 WeakPolarHBondContact O-CG 3.41Å; R199-L203 PolarHBondContact O-N 3.19Å; R199-I210 HydrophobicContact CG-CD1 4.1Å; R199-F277 HydrophobicContact CB-CD1 4.08Å; R199-F277 HydrophobicContact CB-CD2 4.27Å; R199-F277 HydrophobicContact CB-CE1 4.24Å; R199-F277 HydrophobicContact CB-CE2 4.44Å; R199-F277 HydrophobicContact CB-CG 4.09Å; R199-F277 HydrophobicContact CB-CZ 4.42Å; R199-F277 HydrophobicContact CG-CB 4.49Å; R199-F277 HydrophobicContact CG-CD2 4.26Å; R199-F277 HydrophobicContact CG-CG 4.26Å; R199-D280 IonicContact CZ-OD1 2.69Å; R199-D280 IonicContact NE-OD1 2.65Å; R199-D280 PolarHBondContact NE-OD1 3.48Å; R199-D280 IonicContact NE-OD2 3.2Å; R199-D280 PolarHBondContact NE-OD2 2.94Å; R199-D280 IonicContact NH2-OD1 2.67Å; R199-D280 PolarHBondContact NH2-OD1 3.41Å |
| 200 | N | 94.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | -179.7 | -70.9 | -1.1 | 0 | 0 | 0 | 112 | K196 I197 L198 S204 P288 C296 | K196-N200 WeakPolarHBondContact O-CB 3.33Å; K196-N200 VanDerWaalsContact O-CG 3.23Å; K196-N200 PolarHBondContact O-N 2.91Å; K196-N200 PolarHBondContact O-OD1 3.08Å; I197-N200 PolarHBondContact O-N 2.84Å; L198-N200 PolarHBondContact O-N 3.27Å; N200-S204 WeakPolarHBondContact O-CB 3.47Å; N200-S204 PolarHBondContact O-N 2.95Å; N200-S204 PolarHBondContact O-OG 3.48Å; N200-P288 HydrophobicContact CB-CB 4.25Å; N200-P288 HydrophobicContact CB-CG 4.08Å; N200-P288 WeakPolarHBondContact OD1-CG 3.45Å; N200-C296 HydrophobicContact CB-CB 4.23Å |
| 201 | A | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | I197 L198 R199 S204 R205 W232 C296 L300 | I197-A201 WeakPolarHBondContact O-CB 3.13Å; I197-A201 PolarHBondContact O-N 2.68Å; L198-A201 PolarHBondContact O-N 3.42Å; R199-A201 VanDerWaalsContact C-N 3.33Å; R199-A201 PolarHBondContact O-N 3.05Å; A201-S204 PolarHBondContact O-N 3.25Å; A201-R205 WeakPolarHBondContact O-CB 3.35Å; A201-R205 WeakPolarHBondContact O-CG 3.5Å; A201-R205 PolarHBondContact O-N 3.2Å; A201-W232 HydrophobicContact CB-CH2 3.74Å; A201-W232 HydrophobicContact CB-CZ2 3.73Å; A201-C296 VanDerWaalsContact CB-SG 3.54Å; A201-C296 PolarHBondContact N-SG 3.21Å; A201-C296 VanDerWaalsContact N-SG 3.38Å; A201-L300 HydrophobicContact CB-CD1 4Å; A201-L300 HydrophobicContact CB-CD2 4.33Å |
| 202 | I | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -49.5 | 177.4 | -69.3 | 165.5 | 0 | 0 | 0 | 110 | L198 R199 S204 R205 A206 M209 I210 L229 W232 W250 F277 | L198-I202 VanDerWaalsContact O-CG1 3.27Å; L198-I202 WeakPolarHBondContact O-CG1 3.05Å; L198-I202 PolarHBondContact O-N 2.6Å; R199-I202 PolarHBondContact O-N 3.15Å; I202-S204 PolarHBondContact O-N 3.35Å; I202-R205 PolarHBondContact O-N 3.37Å; I202-A206 CarbonylContact O-C 3.57Å; I202-A206 VanDerWaalsContact O-CA 3.32Å; I202-A206 WeakPolarHBondContact O-CA 3.39Å; I202-A206 PolarHBondContact O-N 3.25Å; I202-M209 HydrophobicContact CG2-CB 3.79Å; I202-M209 HydrophobicContact CG2-CG 4.48Å; I202-M209 HydrophobicContact CG2-SD 4.14Å; I202-I210 HydrophobicContact CB-CD1 4.27Å; I202-I210 HydrophobicContact CG2-CD1 3.83Å; I202-I210 HydrophobicContact CG2-CG1 3.92Å; I202-L229 HydrophobicContact CD1-CD2 3.82Å; I202-W232 HydrophobicContact CD1-CD2 4.5Å; I202-W232 HydrophobicContact CD1-CE3 4.32Å; I202-W232 HydrophobicContact CD1-CZ3 4.36Å; I202-W232 HydrophobicContact CG1-CD2 3.83Å; I202-W232 HydrophobicContact CG1-CE3 4.02Å; I202-W232 HydrophobicContact CG1-CH2 3.84Å; I202-W232 HydrophobicContact CG1-CZ2 3.62Å; I202-W232 HydrophobicContact CG1-CZ3 4.02Å; I202-W250 HydrophobicContact CD1-CH2 4.27Å; I202-F277 HydrophobicContact CD1-CE2 4.01Å; I202-F277 HydrophobicContact CD1-CZ 3.97Å |
| 203 | L | 93.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 16% | 0.157 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -29.9 | 177.9 | -70.4 | 174.9 | 0 | 0 | 0 | 112.9 | R199 P207 I210 P288 | R199-L203 HydrophobicContact CG-CD1 4.19Å; R199-L203 WeakPolarHBondContact O-CG 3.41Å; R199-L203 PolarHBondContact O-N 3.19Å; L203-P207 WeakPolarHBondContact O-CG 3.3Å; L203-I210 HydrophobicContact CD2-CB 4.1Å; L203-I210 HydrophobicContact CD2-CD1 3.86Å; L203-I210 HydrophobicContact CD2-CG1 4.49Å; L203-I210 HydrophobicContact CD2-CG2 4.47Å; L203-I210 HydrophobicContact CG-CD1 3.94Å; L203-P288 HydrophobicContact CB-CG 4.13Å; L203-P288 HydrophobicContact CD1-CG 3.92Å |
| 204 | S | 91.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -83.3 | -39.2 | 180 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | N200 A201 I202 | N200-S204 WeakPolarHBondContact O-CB 3.47Å; N200-S204 PolarHBondContact O-N 2.95Å; N200-S204 PolarHBondContact O-OG 3.48Å; A201-S204 PolarHBondContact O-N 3.25Å; I202-S204 PolarHBondContact O-N 3.35Å |
| 205 | R | 91.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -103.3 | -28 | -171.5 | -60.6 | -177.9 | -177.5 | 178.1 | 6.7 | 113.9 | A201 I202 D297 | A201-R205 WeakPolarHBondContact O-CB 3.35Å; A201-R205 WeakPolarHBondContact O-CG 3.5Å; A201-R205 PolarHBondContact O-N 3.2Å; I202-R205 PolarHBondContact O-N 3.37Å; R205-D297 IonicContact CZ-OD1 3.32Å; R205-D297 IonicContact NE-OD1 2.75Å; R205-D297 IonicContact NH2-OD1 3.39Å; R205-D297 PolarHBondContact NH2-OD1 2.99Å |
| 206 | A | 93.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | trans | -145.6 | 63.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I202 H208 M209 | I202-A206 CarbonylContact O-C 3.57Å; I202-A206 VanDerWaalsContact O-CA 3.32Å; I202-A206 WeakPolarHBondContact O-CA 3.39Å; I202-A206 PolarHBondContact O-N 3.25Å; A206-H208 PolarHBondContact O-N 3.09Å; A206-M209 HydrophobicContact CB-CG 4.01Å; A206-M209 HydrophobicContact CB-SD 3.61Å; A206-M209 WeakPolarHBondContact O-CB 3.36Å; A206-M209 PolarHBondContact O-N 3.05Å; A206-M209 VanDerWaalsContact O-N 3.09Å | ||
| 207 | P | 92.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 58.9 Ų | 58.9 | 49% | 0.494 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -57.2 | -28.7 | -173.2 | -16.3 | 21.2 | 0 | 0 | 0 | 114.3 | L203 M209 I210 | L203-P207 WeakPolarHBondContact O-CG 3.3Å; P207-M209 PolarHBondContact O-N 2.88Å; P207-M209 VanDerWaalsContact O-N 3.14Å; P207-I210 PolarHBondContact O-N 3.38Å |
| 208 | H | 92.6 | Very high | 92.6 | Very high | 127 Ų | 127 | 65 Ų | 65 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -64.5 | -14.2 | -178.9 | 64 | -84.1 | 0 | 0 | 0 | 114.5 | A206 R211 | A206-H208 PolarHBondContact O-N 3.09Å; H208-R211 WeakPolarHBondContact O-CD 3.45Å; H208-R211 PolarHBondContact O-NE 2.63Å |
| 209 | M | 95.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -75.3 | -36.8 | -179.8 | -68.9 | -179.8 | 60.8 | 0 | 0 | 112.7 | I202 A206 P207 R213 E228 L229 W232 | I202-M209 HydrophobicContact CG2-CB 3.79Å; I202-M209 HydrophobicContact CG2-CG 4.48Å; I202-M209 HydrophobicContact CG2-SD 4.14Å; A206-M209 HydrophobicContact CB-CG 4.01Å; A206-M209 HydrophobicContact CB-SD 3.61Å; A206-M209 WeakPolarHBondContact O-CB 3.36Å; A206-M209 PolarHBondContact O-N 3.05Å; A206-M209 VanDerWaalsContact O-N 3.09Å; P207-M209 PolarHBondContact O-N 2.88Å; P207-M209 VanDerWaalsContact O-N 3.14Å; M209-R213 PolarHBondContact O-NH2 3.39Å; M209-E228 HydrophobicContact CE-CB 4.17Å; M209-E228 VanDerWaalsContact CE-O 3.31Å; M209-E228 WeakPolarHBondContact CE-O 3.3Å; M209-L229 HydrophobicContact CE-CD2 3.93Å; M209-W232 HydrophobicContact CE-CB 3.51Å; M209-W232 HydrophobicContact CE-CG 3.92Å; M209-W232 HydrophobicContact SD-CB 3.68Å; M209-W232 HydrophobicContact SD-CG 3.67Å |
| 210 | I | 95.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -99.1 | 106.3 | 177.1 | -60.4 | 172.2 | 0 | 0 | 0 | 107.7 | R199 I202 L203 P207 Q222 C224 F277 | R199-I210 HydrophobicContact CG-CD1 4.1Å; I202-I210 HydrophobicContact CB-CD1 4.27Å; I202-I210 HydrophobicContact CG2-CD1 3.83Å; I202-I210 HydrophobicContact CG2-CG1 3.92Å; L203-I210 HydrophobicContact CD2-CB 4.1Å; L203-I210 HydrophobicContact CD2-CD1 3.86Å; L203-I210 HydrophobicContact CD2-CG1 4.49Å; L203-I210 HydrophobicContact CD2-CG2 4.47Å; L203-I210 HydrophobicContact CG-CD1 3.94Å; P207-I210 PolarHBondContact O-N 3.38Å; I210-Q222 HydrophobicContact CG2-CB 4.24Å; I210-C224 WeakPolarHBondContact CG1-SG 3.23Å; I210-F277 HydrophobicContact CD1-CD2 4.23Å; I210-F277 HydrophobicContact CD1-CE2 4.29Å |
| 211 | R | 93.8 | Very high | 92 | Very high | 115 Ų | 115 | 74.6 Ų | 74.6 | 43% | 0.434 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 169.5 | -179.1 | 60.7 | -178.7 | 177.4 | 94.5 | -2.6 | 111.7 | H208 R213 C223 | H208-R211 WeakPolarHBondContact O-CD 3.45Å; H208-R211 PolarHBondContact O-NE 2.63Å; R211-R213 HydrophobicContact CG-CG 4.4Å; R211-C223 PolarHBondContact O-N 2.89Å |
| 212 | D | 93.5 | Very high | 91.9 | Very high | 73 Ų | 73 | 78.3 Ų | 78.3 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 134.4 | 171.2 | -65.4 | -1.5 | 0 | 0 | 0 | 111 | T219 Y220 R221 Q222 | D212-T219 HydrophobicContact CB-CG2 4.16Å; D212-Y220 CarbonylContact C-O 3.57Å; D212-Y220 WeakPolarHBondContact CA-O 3.29Å; D212-R221 WeakPolarHBondContact OD1-CA 3.34Å; D212-Q222 PolarHBondContact OD1-N 3.42Å |
| 213 | R | 93.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 78.3 Ų | 78.3 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.6 | 179.4 | -59.5 | -175.3 | -175.1 | -111.8 | 0.6 | 110 | M209 R211 T219 Y220 C223 V225 E228 F274 | M209-R213 PolarHBondContact O-NH2 3.39Å; R211-R213 HydrophobicContact CG-CG 4.4Å; R213-T219 CarbonylContact O-C 3.59Å; R213-Y220 PolarHBondContact N-O 3.1Å; R213-Y220 PolarHBondContact O-N 3.36Å; R213-C223 PolarHBondContact NE-O 2.96Å; R213-C223 VanDerWaalsContact NE-O 3.07Å; R213-V225 VanDerWaalsContact CZ-CG2 3.47Å; R213-E228 IonicContact CZ-OE1 3.58Å; R213-E228 IonicContact CZ-OE2 3.52Å; R213-E228 IonicContact NH1-OE1 2.83Å; R213-E228 PolarHBondContact NH1-OE1 3.03Å; R213-E228 IonicContact NH1-OE2 3.57Å; R213-E228 IonicContact NH2-OE1 3.45Å; R213-E228 PolarHBondContact NH2-OE1 2.93Å; R213-E228 IonicContact NH2-OE2 2.69Å; R213-E228 PolarHBondContact NH2-OE2 3.36Å; R213-F274 HydrophobicContact CB-CE1 4.29Å; R213-F274 HydrophobicContact CB-CZ 4.21Å |
| 214 | K | 90.1 | Very high | 91.9 | Very high | 167 Ų | 167 | 76.9 Ų | 76.9 | 73% | 0.726 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.9 | 177.8 | -64.9 | -173.3 | -178 | -179.7 | 0 | 110.3 | K218 T219 | K214-K218 WeakPolarHBondContact CA-O 3.32Å; K214-T219 HydrophobicContact CG-CG2 4.27Å |
| 215 | Y | 89.1 | Confident | 92.2 | Very high | 115 Ų | 115 | 74.5 Ų | 74.5 | 45% | 0.451 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 130.7 | 175.8 | -171.7 | -109.8 | 0 | 0 | 0 | 109.8 | L217 K218 F274 | Y215-L217 VanDerWaalsContact C-N 3.27Å; Y215-L217 PolarHBondContact O-N 2.92Å; Y215-K218 PolarHBondContact N-O 3.02Å; Y215-K218 PolarHBondContact O-N 2.89Å; Y215-F274 HydrophobicContact CG-CE2 4.16Å; Y215-F274 HydrophobicContact CG-CZ 4.36Å |
| 216 | H | 85.4 | Confident | 92.4 | Very high | 152 Ų | 152 | 70 Ų | 70 | 70% | 0.704 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 48.9 | -172 | -68 | -63.4 | 0 | 0 | 0 | 114.1 | K218 | H216-K218 PolarHBondContact O-N 3.15Š|
| 217 | L | 87.8 | Confident | 92.5 | Very high | 183 Ų | 183 | 71.4 Ų | 71.4 | 96% | 0.958 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -2.5 | -180 | -55 | 167.9 | 0 | 0 | 0 | 115.7 | Y215 | Y215-L217 VanDerWaalsContact C-N 3.27Å; Y215-L217 PolarHBondContact O-N 2.92Å |
| 218 | K | 90.6 | Very high | 92.7 | Very high | 135 Ų | 135 | 70.1 Ų | 70.1 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 137.4 | 168.8 | -67.7 | -175.7 | 179 | -179.5 | 0 | 110.1 | K214 Y215 H216 Y220 | K214-K218 WeakPolarHBondContact CA-O 3.32Å; Y215-K218 PolarHBondContact N-O 3.02Å; Y215-K218 PolarHBondContact O-N 2.89Å; H216-K218 PolarHBondContact O-N 3.15Å; K218-Y220 HydrophobicContact CB-CE2 3.94Å |
| 219 | T | 89.6 | Confident | 92.9 | Very high | 71 Ų | 71 | 64 Ų | 64 | 44% | 0.436 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.7 | 172 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | D212 R213 K214 | D212-T219 HydrophobicContact CB-CG2 4.16Å; R213-T219 CarbonylContact O-C 3.59Å; K214-T219 HydrophobicContact CG-CG2 4.27Å |
| 220 | Y | 91.8 | Very high | 93 | Very high | 32 Ų | 32 | 63.8 Ų | 63.8 | 13% | 0.125 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.5 | 171 | -60.9 | -89.6 | 0 | 0 | 0 | 107.7 | D212 R213 K218 C223 V262 F274 | D212-Y220 CarbonylContact C-O 3.57Å; D212-Y220 WeakPolarHBondContact CA-O 3.29Å; R213-Y220 PolarHBondContact N-O 3.1Å; R213-Y220 PolarHBondContact O-N 3.36Å; K218-Y220 HydrophobicContact CB-CE2 3.94Å; Y220-C223 PolarHBondContact O-SG 3.15Å; Y220-V262 HydrophobicContact CD1-CB 3.79Å; Y220-V262 HydrophobicContact CD1-CG1 4.18Å; Y220-V262 HydrophobicContact CD1-CG2 3.54Å; Y220-V262 HydrophobicContact CE1-CB 4.17Å; Y220-V262 HydrophobicContact CE1-CG2 3.62Å; Y220-V262 HydrophobicContact CG-CG2 4.44Å; Y220-F274 HydrophobicContact CD1-CD2 4.36Å; Y220-F274 AromaticContact CD2-CD2 3.61Å; Y220-F274 HydrophobicContact CD2-CD2 3.61Å; Y220-F274 AromaticContact CD2-CE2 3.65Å; Y220-F274 HydrophobicContact CD2-CE2 3.65Å; Y220-F274 HydrophobicContact CE2-CD2 4.09Å; Y220-F274 HydrophobicContact CE2-CE2 4.02Å; Y220-F274 AromaticContact CG-CD2 3.76Å; Y220-F274 HydrophobicContact CG-CD2 3.76Å; Y220-F274 HydrophobicContact CG-CE2 4.26Å |
| 221 | R | 91.7 | Very high | 93 | Very high | 116 Ų | 116 | 66.4 Ų | 66.4 | 44% | 0.438 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 144.8 | -175.4 | -66.5 | 179.3 | 68.4 | 160.9 | -6.5 | 112 | D212 C223 R276 E283 | D212-R221 WeakPolarHBondContact OD1-CA 3.34Å; R221-C223 VanDerWaalsContact C-N 3.28Å; R221-C223 PolarHBondContact O-N 3.46Å; R221-C223 VanDerWaalsContact O-N 3.13Å; R221-R276 PolarHBondContact O-NE 3.16Å; R221-R276 VanDerWaalsContact O-NE 3.1Å; R221-E283 IonicContact CZ-OE1 3.42Å; R221-E283 IonicContact NH1-OE1 2.72Å; R221-E283 PolarHBondContact NH1-OE1 3.15Å; R221-E283 IonicContact NH2-OE1 3.38Å; R221-E283 PolarHBondContact NH2-OE1 3.09Å |
| 222 | Q | 91.2 | Very high | 93.1 | Very high | 77 Ų | 77 | 61.3 Ų | 61.3 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 41.3 | 50.9 | 171.2 | -60.2 | -61.5 | -25.6 | 0 | 0 | 113.7 | I210 D212 D280 | I210-Q222 HydrophobicContact CG2-CB 4.24Å; D212-Q222 PolarHBondContact OD1-N 3.42Å; Q222-D280 HydrophobicContact CB-CB 4.14Å |
| 223 | C | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 151.4 | -174.8 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | R211 R213 Y220 R221 V262 F274 Y275 | R211-C223 PolarHBondContact O-N 2.89Å; R213-C223 PolarHBondContact NE-O 2.96Å; R213-C223 VanDerWaalsContact NE-O 3.07Å; Y220-C223 PolarHBondContact O-SG 3.15Å; R221-C223 VanDerWaalsContact C-N 3.28Å; R221-C223 PolarHBondContact O-N 3.46Å; R221-C223 VanDerWaalsContact O-N 3.13Å; C223-V262 HydrophobicContact CB-CG1 4.31Å; C223-F274 HydrophobicContact CB-CB 4.26Å; C223-Y275 CarbonylContact C-O 3.55Å; C223-Y275 WeakPolarHBondContact CA-O 3.48Å; C223-Y275 WeakPolarHBondContact CB-O 3.37Å |
| 224 | C | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 164.4 | 173.6 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | I210 L229 F274 Y275 | I210-C224 WeakPolarHBondContact CG1-SG 3.23Å; C224-L229 HydrophobicContact CB-CD1 3.7Å; C224-L229 HydrophobicContact CB-CD2 3.89Å; C224-L229 HydrophobicContact CB-CG 3.75Å; C224-F274 CarbonylContact O-C 3.59Å; C224-F274 VanDerWaalsContact O-CA 3.24Å; C224-F274 WeakPolarHBondContact O-CA 3.32Å; C224-Y275 PolarHBondContact N-O 3.36Å; C224-Y275 PolarHBondContact O-N 3.15Å |
| 225 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.1 | 169.3 | 175.6 | 0 | 0 | 0 | 0 | 110 | R213 T227 E228 L229 Y272 L273 F274 | R213-V225 VanDerWaalsContact CZ-CG2 3.47Å; V225-T227 WeakPolarHBondContact CG1-OG1 3.46Å; V225-T227 PolarHBondContact O-N 2.78Å; V225-E228 HydrophobicContact CB-CB 4.2Å; V225-E228 HydrophobicContact CB-CG 3.96Å; V225-E228 HydrophobicContact CG1-CG 4.44Å; V225-E228 PolarHBondContact O-N 3.27Å; V225-E228 VanDerWaalsContact O-N 3.09Å; V225-L229 PolarHBondContact O-N 2.86Å; V225-Y272 HydrophobicContact CG1-CD2 3.71Å; V225-Y272 HydrophobicContact CG1-CE2 4.19Å; V225-Y272 HydrophobicContact CG1-CG 4.36Å; V225-Y272 HydrophobicContact CG2-CD2 4.33Å; V225-Y272 HydrophobicContact CG2-CE2 4Å; V225-L273 WeakPolarHBondContact CA-O 3.41Å; V225-F274 HydrophobicContact CG2-CD1 3.82Å; V225-F274 HydrophobicContact CG2-CE1 3.87Å |
| 226 | G | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -51.2 | -49.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | E228 L229 V230 L273 | G226-E228 PolarHBondContact O-N 2.84Å; G226-L229 PolarHBondContact O-N 3.42Å; G226-V230 WeakPolarHBondContact O-CG2 3.46Å; G226-V230 PolarHBondContact O-N 3.14Å; G226-V230 VanDerWaalsContact O-N 3.1Å; G226-L273 PolarHBondContact N-O 2.85Å |
| 227 | T | 96.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 49 Ų | 49 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 177 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | V225 V230 D231 D270 K271 | V225-T227 WeakPolarHBondContact CG1-OG1 3.46Å; V225-T227 PolarHBondContact O-N 2.78Å; T227-V230 PolarHBondContact O-N 2.87Å; T227-D231 PolarHBondContact O-N 3.23Å; T227-D270 WeakPolarHBondContact CA-OD1 3.25Å; T227-D270 WeakPolarHBondContact CG2-OD1 3.47Å; T227-K271 PolarHBondContact N-O 3.04Å |
| 228 | E | 97 | Very high | 91.9 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.3 | -38.1 | 179.7 | -66.6 | 178 | -161.7 | 0 | 0 | 111.2 | M209 R213 V225 G226 D231 W232 | M209-E228 HydrophobicContact CE-CB 4.17Å; M209-E228 VanDerWaalsContact CE-O 3.31Å; M209-E228 WeakPolarHBondContact CE-O 3.3Å; R213-E228 IonicContact CZ-OE1 3.58Å; R213-E228 IonicContact CZ-OE2 3.52Å; R213-E228 IonicContact NH1-OE1 2.83Å; R213-E228 PolarHBondContact NH1-OE1 3.03Å; R213-E228 IonicContact NH1-OE2 3.57Å; R213-E228 IonicContact NH2-OE1 3.45Å; R213-E228 PolarHBondContact NH2-OE1 2.93Å; R213-E228 IonicContact NH2-OE2 2.69Å; R213-E228 PolarHBondContact NH2-OE2 3.36Å; V225-E228 HydrophobicContact CB-CB 4.2Å; V225-E228 HydrophobicContact CB-CG 3.96Å; V225-E228 HydrophobicContact CG1-CG 4.44Å; V225-E228 PolarHBondContact O-N 3.27Å; V225-E228 VanDerWaalsContact O-N 3.09Å; G226-E228 PolarHBondContact O-N 2.84Å; E228-D231 PolarHBondContact O-N 3.42Å; E228-W232 WeakPolarHBondContact O-CB 3.39Å; E228-W232 PolarHBondContact O-N 2.93Å |
| 229 | L | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.1 | -72.8 | 174.9 | 0 | 0 | 0 | 112.2 | I202 M209 C224 V225 G226 M233 W250 L259 F268 | I202-L229 HydrophobicContact CD1-CD2 3.82Å; M209-L229 HydrophobicContact CE-CD2 3.93Å; C224-L229 HydrophobicContact CB-CD1 3.7Å; C224-L229 HydrophobicContact CB-CD2 3.89Å; C224-L229 HydrophobicContact CB-CG 3.75Å; V225-L229 PolarHBondContact O-N 2.86Å; G226-L229 PolarHBondContact O-N 3.42Å; L229-M233 WeakPolarHBondContact O-CB 3.46Å; L229-M233 PolarHBondContact O-N 3.24Å; L229-W250 HydrophobicContact CB-CD2 4.41Å; L229-W250 HydrophobicContact CB-CZ2 3.93Å; L229-W250 HydrophobicContact CD2-CH2 3.92Å; L229-W250 HydrophobicContact CD2-CZ2 3.92Å; L229-W250 HydrophobicContact CG-CZ2 4.44Å; L229-W250 PolarHBondContact O-NE1 2.83Å; L229-W250 VanDerWaalsContact O-NE1 3.08Å; L229-L259 HydrophobicContact CD1-CD2 4.12Å; L229-F268 HydrophobicContact CB-CZ 4.27Å; L229-F268 HydrophobicContact CD1-CE2 4.01Å |
| 230 | V | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -48.7 | 174.4 | 169 | 0 | 0 | 0 | 0 | 110.5 | G226 T227 W232 M233 M234 R243 A246 V247 F268 D270 | G226-V230 WeakPolarHBondContact O-CG2 3.46Å; G226-V230 PolarHBondContact O-N 3.14Å; G226-V230 VanDerWaalsContact O-N 3.1Å; T227-V230 PolarHBondContact O-N 2.87Å; V230-W232 VanDerWaalsContact C-N 3.34Å; V230-W232 PolarHBondContact O-N 3.06Å; V230-M233 PolarHBondContact O-N 2.98Å; V230-M234 HydrophobicContact CG1-SD 4.23Å; V230-M234 WeakPolarHBondContact O-CG 3.24Å; V230-M234 PolarHBondContact O-N 3.46Å; V230-M234 VanDerWaalsContact O-N 3.08Å; V230-R243 HydrophobicContact CG1-CB 3.93Å; V230-R243 HydrophobicContact CG1-CG 4.03Å; V230-A246 HydrophobicContact CB-CB 4.45Å; V230-A246 HydrophobicContact CG1-CB 3.98Å; V230-A246 HydrophobicContact CG2-CB 4.29Å; V230-V247 HydrophobicContact CG2-CG2 4.35Å; V230-F268 HydrophobicContact CG2-CE1 3.77Å; V230-F268 HydrophobicContact CG2-CZ 4.06Å; V230-D270 HydrophobicContact CG2-CB 4.19Å |
| 231 | D | 94.8 | Very high | 90.9 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 34% | 0.342 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 179.2 | -69.4 | -21.9 | 0 | 0 | 0 | 111.6 | T227 E228 M234 Q235 R243 | T227-D231 PolarHBondContact O-N 3.23Å; E228-D231 PolarHBondContact O-N 3.42Å; D231-M234 PolarHBondContact O-N 2.86Å; D231-Q235 VanDerWaalsContact O-CG 3.3Å; D231-Q235 WeakPolarHBondContact O-CG 3.35Å; D231-Q235 PolarHBondContact O-N 3.06Å; D231-Q235 VanDerWaalsContact O-N 3.13Å; D231-R243 IonicContact OD1-CZ 3.73Å; D231-R243 IonicContact OD1-NH1 3.14Å; D231-R243 PolarHBondContact OD1-NH1 2.95Å; D231-R243 IonicContact OD1-NH2 3.48Å; D231-R243 PolarHBondContact OD1-NH2 2.97Å |
| 232 | W | 95.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 30 Ų | 30 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 180 | -179 | 90.2 | 0 | 0 | 0 | 111.8 | L198 A201 I202 M209 E228 V230 M234 Q235 Q236 W250 L300 M304 | L198-W232 HydrophobicContact CD2-CH2 4.3Å; L198-W232 HydrophobicContact CD2-CZ3 4.12Å; A201-W232 HydrophobicContact CB-CH2 3.74Å; A201-W232 HydrophobicContact CB-CZ2 3.73Å; I202-W232 HydrophobicContact CD1-CD2 4.5Å; I202-W232 HydrophobicContact CD1-CE3 4.32Å; I202-W232 HydrophobicContact CD1-CZ3 4.36Å; I202-W232 HydrophobicContact CG1-CD2 3.83Å; I202-W232 HydrophobicContact CG1-CE3 4.02Å; I202-W232 HydrophobicContact CG1-CH2 3.84Å; I202-W232 HydrophobicContact CG1-CZ2 3.62Å; I202-W232 HydrophobicContact CG1-CZ3 4.02Å; M209-W232 HydrophobicContact CE-CB 3.51Å; M209-W232 HydrophobicContact CE-CG 3.92Å; M209-W232 HydrophobicContact SD-CB 3.68Å; M209-W232 HydrophobicContact SD-CG 3.67Å; E228-W232 WeakPolarHBondContact O-CB 3.39Å; E228-W232 PolarHBondContact O-N 2.93Å; V230-W232 VanDerWaalsContact C-N 3.34Å; V230-W232 PolarHBondContact O-N 3.06Å; W232-M234 VanDerWaalsContact C-N 3.33Å; W232-M234 PolarHBondContact O-N 3.37Å; W232-Q235 PolarHBondContact O-N 3.2Å; W232-Q235 VanDerWaalsContact O-N 3.08Å; W232-Q236 HydrophobicContact CD2-CG 3.66Å; W232-Q236 VanDerWaalsContact CE2-CG 3.46Å; W232-Q236 HydrophobicContact CE3-CG 3.83Å; W232-Q236 HydrophobicContact CG-CG 4.38Å; W232-Q236 HydrophobicContact CH2-CG 3.66Å; W232-Q236 HydrophobicContact CZ2-CG 3.47Å; W232-Q236 VanDerWaalsContact CZ2-CG 3.47Å; W232-Q236 HydrophobicContact CZ3-CG 3.83Å; W232-Q236 VanDerWaalsContact O-CG 3.3Å; W232-Q236 WeakPolarHBondContact O-CG 3.38Å; W232-Q236 PolarHBondContact O-N 3.46Å; W232-Q236 PolarHBondContact O-NE2 2.61Å; W232-W250 HydrophobicContact CE3-CZ2 4.29Å; W232-L300 HydrophobicContact CH2-CD1 4.37Å; W232-M304 HydrophobicContact CH2-CE 4.13Å; W232-M304 HydrophobicContact CZ3-CE 3.68Å |
| 233 | M | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | -179.7 | -177.5 | 176 | -85.3 | 0 | 0 | 111.6 | L198 L229 V230 Q235 Q236 V240 A246 M249 W250 M304 | L198-M233 HydrophobicContact CD1-CE 4.37Å; L229-M233 WeakPolarHBondContact O-CB 3.46Å; L229-M233 PolarHBondContact O-N 3.24Å; V230-M233 PolarHBondContact O-N 2.98Å; M233-Q235 VanDerWaalsContact C-N 3.27Å; M233-Q235 PolarHBondContact O-N 3.02Å; M233-Q236 PolarHBondContact O-N 3.43Å; M233-V240 HydrophobicContact CG-CG2 4.18Å; M233-A246 HydrophobicContact SD-CB 4.09Å; M233-M249 HydrophobicContact CE-CB 4.1Å; M233-M249 HydrophobicContact CE-CE 4.07Å; M233-M249 HydrophobicContact CG-CE 4.35Å; M233-M249 HydrophobicContact SD-CB 3.75Å; M233-M249 HydrophobicContact SD-CE 3.61Å; M233-M249 HydrophobicContact SD-CG 4.41Å; M233-M249 HydrophobicContact SD-SD 3.82Å; M233-W250 HydrophobicContact CB-CZ2 4.2Å; M233-W250 HydrophobicContact CE-CD2 3.73Å; M233-W250 HydrophobicContact CE-CE3 4.26Å; M233-W250 HydrophobicContact CE-CG 4.21Å; M233-W250 HydrophobicContact CE-CH2 4.11Å; M233-W250 HydrophobicContact CE-CZ2 3.56Å; M233-W250 HydrophobicContact CE-CZ3 4.43Å; M233-M304 HydrophobicContact CE-SD 4.19Å; M233-M304 HydrophobicContact CG-CE 4.31Å; M233-M304 HydrophobicContact CG-SD 4.06Å |
| 234 | M | 91.7 | Very high | 90.8 | Very high | 66 Ų | 66 | 34 Ų | 34 | 33% | 0.325 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.6 | -29 | 175.7 | -70.7 | -174 | 69.6 | 0 | 0 | 113.2 | V230 D231 W232 V240 R243 | V230-M234 HydrophobicContact CG1-SD 4.23Å; V230-M234 WeakPolarHBondContact O-CG 3.24Å; V230-M234 PolarHBondContact O-N 3.46Å; V230-M234 VanDerWaalsContact O-N 3.08Å; D231-M234 PolarHBondContact O-N 2.86Å; W232-M234 VanDerWaalsContact C-N 3.33Å; W232-M234 PolarHBondContact O-N 3.37Å; M234-V240 HydrophobicContact CG-CG1 4.01Å; M234-R243 HydrophobicContact CE-CG 4.42Å; M234-R243 HydrophobicContact SD-CB 4.37Å; M234-R243 HydrophobicContact SD-CG 3.59Å; M234-R243 VanDerWaalsContact SD-CG 3.59Å |
| 235 | Q | 91 | Very high | 90.6 | Very high | 153 Ų | 153 | 35.1 Ų | 35.1 | 72% | 0.715 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -81 | -26.7 | 176.9 | -70.6 | 172.7 | 17.3 | 0 | 0 | 113.2 | D231 W232 M233 | D231-Q235 VanDerWaalsContact O-CG 3.3Å; D231-Q235 WeakPolarHBondContact O-CG 3.35Å; D231-Q235 PolarHBondContact O-N 3.06Å; D231-Q235 VanDerWaalsContact O-N 3.13Å; W232-Q235 PolarHBondContact O-N 3.2Å; W232-Q235 VanDerWaalsContact O-N 3.08Å; M233-Q235 VanDerWaalsContact C-N 3.27Å; M233-Q235 PolarHBondContact O-N 3.02Å |
| 236 | Q | 85.6 | Confident | 90.4 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -76.1 | -32.1 | -174.8 | -68.1 | -35.3 | -69.5 | 0 | 0 | 113.6 | W232 M233 M304 | W232-Q236 HydrophobicContact CD2-CG 3.66Å; W232-Q236 VanDerWaalsContact CE2-CG 3.46Å; W232-Q236 HydrophobicContact CE3-CG 3.83Å; W232-Q236 HydrophobicContact CG-CG 4.38Å; W232-Q236 HydrophobicContact CH2-CG 3.66Å; W232-Q236 HydrophobicContact CZ2-CG 3.47Å; W232-Q236 VanDerWaalsContact CZ2-CG 3.47Å; W232-Q236 HydrophobicContact CZ3-CG 3.83Å; W232-Q236 VanDerWaalsContact O-CG 3.3Å; W232-Q236 WeakPolarHBondContact O-CG 3.38Å; W232-Q236 PolarHBondContact O-N 3.46Å; W232-Q236 PolarHBondContact O-NE2 2.61Å; M233-Q236 PolarHBondContact O-N 3.43Å; Q236-M304 HydrophobicContact CB-CE 4.19Å |
| 237 | T | 79 | Confident | 90.4 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -145.6 | 139.3 | -169.4 | -165.7 | 0 | 0 | 0 | 0 | 113 | C239 V240 Q301 M304 | T237-C239 WeakPolarHBondContact CG2-SG 3.42Å; T237-C239 PolarHBondContact O-N 2.85Å; T237-C239 PolarHBondContact OG1-SG 2.7Å; T237-V240 HydrophobicContact CG2-CB 4.41Å; T237-V240 HydrophobicContact CG2-CG2 3.71Å; T237-Q301 PolarHBondContact OG1-NE2 3.48Å; T237-Q301 PolarHBondContact OG1-OE1 3.37Å; T237-M304 HydrophobicContact CG2-CB 4.14Å; T237-M304 HydrophobicContact CG2-CG 4.04Å; T237-M304 HydrophobicContact CG2-SD 4.17Å | ||
| 238 | P | 74.4 | Confident | 90.3 | Very high | 55 Ų | 55 | 34 Ų | 34 | 36% | 0.357 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.8 | 177.3 | 31.9 | -35.9 | 0 | 0 | 0 | 113.8 | V240 E883 | P238-V240 VanDerWaalsContact C-N 3.26Å; P238-V240 PolarHBondContact O-N 2.61Å; P238-E883 HydrophobicContact CG-CB 4.32Å; P238-E883 HydrophobicContact CG-CG 4.01Å |
| 239 | C | 76.4 | Confident | 90.2 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -7.4 | 178.3 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | T237 H241 Q245 | T237-C239 WeakPolarHBondContact CG2-SG 3.42Å; T237-C239 PolarHBondContact O-N 2.85Å; T237-C239 PolarHBondContact OG1-SG 2.7Å; C239-H241 PolarHBondContact O-CE1 3.13Å; C239-H241 VanDerWaalsContact O-CE1 3.31Å; C239-H241 PolarHBondContact O-ND1 2.82Å; C239-H241 VanDerWaalsContact O-ND1 3.13Å; C239-Q245 PolarHBondContact O-NE2 2.83Å; C239-Q245 VanDerWaalsContact O-NE2 3.12Å |
| 240 | V | 86.8 | Confident | 90.1 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | trans | -101.9 | 113.9 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | M233 M234 T237 P238 Q245 A246 M249 | M233-V240 HydrophobicContact CG-CG2 4.18Å; M234-V240 HydrophobicContact CG-CG1 4.01Å; T237-V240 HydrophobicContact CG2-CB 4.41Å; T237-V240 HydrophobicContact CG2-CG2 3.71Å; P238-V240 VanDerWaalsContact C-N 3.26Å; P238-V240 PolarHBondContact O-N 2.61Å; V240-Q245 HydrophobicContact CG1-CB 4.43Å; V240-A246 HydrophobicContact CG1-CB 4.05Å; V240-M249 HydrophobicContact CG1-SD 4.44Å; V240-M249 HydrophobicContact CG2-CE 3.74Å; V240-M249 HydrophobicContact CG2-SD 3.48Å; V240-M249 WeakPolarHBondContact CG2-SD 3.42Å | ||
| 241 | H | 86.2 | Confident | 90 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 9% | 0.088 | 17% | 0.166 | C | C | . | . | trans | -99.4 | -20.4 | -170.6 | -57.4 | 86.9 | 0 | 0 | 0 | 113 | C239 Q245 L899 T900 K903 | C239-H241 PolarHBondContact O-CE1 3.13Å; C239-H241 VanDerWaalsContact O-CE1 3.31Å; C239-H241 PolarHBondContact O-ND1 2.82Å; C239-H241 VanDerWaalsContact O-ND1 3.13Å; H241-Q245 PolarHBondContact ND1-OE1 2.92Å; H241-L899 HydrophobicContact CB-CB 4.32Å; H241-L899 HydrophobicContact CB-CD1 4.39Å; H241-T900 PolarHBondContact NE2-OG1 3.26Å; H241-T900 VanDerWaalsContact NE2-OG1 3.14Å; H241-K903 WeakPolarHBondContact O-CE 3.39Å; H241-K903 PolarHBondContact O-NZ 2.84Å | ||
| 242 | S | 90.4 | Very high | 89.9 | Confident | 47 Ų | 47 | 28.8 Ų | 28.8 | 33% | 0.329 | 15% | 0.149 | S | C | . | . | trans | -148 | 159.8 | -178.8 | 70 | 0 | 0 | 0 | 0 | 112.5 | T244 Q245 A246 | S242-T244 PolarHBondContact O-N 3.04Å; S242-Q245 WeakPolarHBondContact O-CB 3.41Å; S242-Q245 PolarHBondContact O-N 3.44Å; S242-Q245 PolarHBondContact OG-N 3.13Å; S242-Q245 VanDerWaalsContact OG-N 3.09Å; S242-A246 PolarHBondContact O-N 2.82Å; S242-A246 VanDerWaalsContact O-N 3.14Å | ||
| 243 | R | 93.6 | Very high | 89.8 | Confident | 88 Ų | 88 | 28.4 Ų | 28.4 | 33% | 0.332 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.5 | -38.1 | 172.7 | -58.4 | -175.9 | 74.5 | 78.9 | 5.7 | 111.2 | V230 D231 M234 Q245 A246 V247 D270 | V230-R243 HydrophobicContact CG1-CB 3.93Å; V230-R243 HydrophobicContact CG1-CG 4.03Å; D231-R243 IonicContact OD1-CZ 3.73Å; D231-R243 IonicContact OD1-NH1 3.14Å; D231-R243 PolarHBondContact OD1-NH1 2.95Å; D231-R243 IonicContact OD1-NH2 3.48Å; D231-R243 PolarHBondContact OD1-NH2 2.97Å; M234-R243 HydrophobicContact CE-CG 4.42Å; M234-R243 HydrophobicContact SD-CB 4.37Å; M234-R243 HydrophobicContact SD-CG 3.59Å; M234-R243 VanDerWaalsContact SD-CG 3.59Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.87Å; R243-A246 WeakPolarHBondContact O-CB 3.33Å; R243-A246 PolarHBondContact O-N 2.84Å; R243-V247 WeakPolarHBondContact O-CG2 3.47Å; R243-V247 PolarHBondContact O-N 3.46Å; R243-D270 IonicContact CZ-OD1 2.77Å; R243-D270 IonicContact CZ-OD2 3.85Å; R243-D270 VanDerWaalsContact CZ-OD2 3.32Å; R243-D270 IonicContact NE-OD1 2.78Å; R243-D270 IonicContact NE-OD2 3.87Å; R243-D270 PolarHBondContact NE-OD2 3.28Å; R243-D270 IonicContact NH2-OD1 3.23Å; R243-D270 PolarHBondContact NH2-OD1 3.36Å; R243-D270 IonicContact NH2-OD2 2.75Å; R243-D270 PolarHBondContact NH2-OD2 3.24Å |
| 244 | T | 91.1 | Very high | 89.7 | Confident | 72 Ų | 72 | 28.6 Ų | 28.6 | 44% | 0.442 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60 | -40.8 | 175 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | S242 V247 G248 H315 I334 | S242-T244 PolarHBondContact O-N 3.04Å; T244-V247 PolarHBondContact O-N 3.06Å; T244-G248 PolarHBondContact O-N 3.49Å; T244-H315 VanDerWaalsContact CG2-CE1 3.47Å; T244-H315 WeakPolarHBondContact CG2-CE1 3.49Å; T244-H315 PolarHBondContact O-CE1 2.99Å; T244-H315 PolarHBondContact O-ND1 3.33Å; T244-H315 VanDerWaalsContact O-ND1 3.13Å; T244-I334 HydrophobicContact CG2-CD1 3.67Å; T244-I334 HydrophobicContact CG2-CG1 4.41Å |
| 245 | Q | 91.1 | Very high | 89.4 | Confident | 25 Ų | 25 | 26.2 Ų | 26.2 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 174.8 | -174.3 | -175.3 | 2.5 | 0 | 0 | 111 | C239 V240 H241 S242 R243 V247 G248 M249 | C239-Q245 PolarHBondContact O-NE2 2.83Å; C239-Q245 VanDerWaalsContact O-NE2 3.12Å; V240-Q245 HydrophobicContact CG1-CB 4.43Å; H241-Q245 PolarHBondContact ND1-OE1 2.92Å; S242-Q245 WeakPolarHBondContact O-CB 3.41Å; S242-Q245 PolarHBondContact O-N 3.44Å; S242-Q245 PolarHBondContact OG-N 3.13Å; S242-Q245 VanDerWaalsContact OG-N 3.09Å; R243-Q245 VanDerWaalsContact C-N 3.34Å; R243-Q245 PolarHBondContact O-N 2.87Å; Q245-V247 VanDerWaalsContact C-N 3.3Å; Q245-V247 PolarHBondContact O-N 2.96Å; Q245-G248 PolarHBondContact O-N 2.76Å; Q245-G248 VanDerWaalsContact O-N 3.15Å; Q245-M249 HydrophobicContact CG-SD 4.22Å; Q245-M249 WeakPolarHBondContact O-CG 3.35Å; Q245-M249 PolarHBondContact O-N 3.13Å |
| 246 | A | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V230 M233 V240 S242 R243 G248 M249 W250 | V230-A246 HydrophobicContact CB-CB 4.45Å; V230-A246 HydrophobicContact CG1-CB 3.98Å; V230-A246 HydrophobicContact CG2-CB 4.29Å; M233-A246 HydrophobicContact SD-CB 4.09Å; V240-A246 HydrophobicContact CG1-CB 4.05Å; S242-A246 PolarHBondContact O-N 2.82Å; S242-A246 VanDerWaalsContact O-N 3.14Å; R243-A246 WeakPolarHBondContact O-CB 3.33Å; R243-A246 PolarHBondContact O-N 2.84Å; A246-G248 VanDerWaalsContact C-N 3.34Å; A246-G248 PolarHBondContact O-N 3.05Å; A246-M249 PolarHBondContact O-N 3.09Å; A246-W250 PolarHBondContact O-N 2.87Å |
| 247 | V | 95.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 18.6 Ų | 18.6 | 9% | 0.085 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.6 | -47.8 | 173.1 | 165.7 | 0 | 0 | 0 | 0 | 111 | V230 R243 T244 Q245 M249 W250 Q251 F268 D270 M318 | V230-V247 HydrophobicContact CG2-CG2 4.35Å; R243-V247 WeakPolarHBondContact O-CG2 3.47Å; R243-V247 PolarHBondContact O-N 3.46Å; T244-V247 PolarHBondContact O-N 3.06Å; Q245-V247 VanDerWaalsContact C-N 3.3Å; Q245-V247 PolarHBondContact O-N 2.96Å; V247-M249 PolarHBondContact O-N 3.08Å; V247-W250 PolarHBondContact O-N 3.03Å; V247-Q251 VanDerWaalsContact O-CB 3.24Å; V247-Q251 WeakPolarHBondContact O-CB 3.39Å; V247-Q251 PolarHBondContact O-N 3.49Å; V247-F268 HydrophobicContact CB-CD1 4.27Å; V247-F268 HydrophobicContact CG1-CD1 4.16Å; V247-F268 HydrophobicContact CG2-CD1 4.22Å; V247-F268 HydrophobicContact CG2-CE1 4.17Å; V247-D270 HydrophobicContact CG2-CB 3.77Å; V247-M318 HydrophobicContact CG1-CE 4.18Å |
| 248 | G | 93.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T244 Q245 A246 Q251 V252 G311 | T244-G248 PolarHBondContact O-N 3.49Å; Q245-G248 PolarHBondContact O-N 2.76Å; Q245-G248 VanDerWaalsContact O-N 3.15Å; A246-G248 VanDerWaalsContact C-N 3.34Å; A246-G248 PolarHBondContact O-N 3.05Å; G248-Q251 WeakPolarHBondContact O-CB 3.41Å; G248-Q251 PolarHBondContact O-N 3.03Å; G248-V252 PolarHBondContact O-N 3.13Å; G248-G311 CarbonylContact C-O 3.12Å; G248-G311 WeakPolarHBondContact CA-O 3.41Å; G248-G311 WeakPolarHBondContact O-CA 3.5Å |
| 249 | M | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 178.4 | -67.7 | 170.4 | 66.5 | 0 | 0 | 112.6 | M233 V240 Q245 A246 V247 Q251 V252 M304 L307 | M233-M249 HydrophobicContact CE-CB 4.1Å; M233-M249 HydrophobicContact CE-CE 4.07Å; M233-M249 HydrophobicContact CG-CE 4.35Å; M233-M249 HydrophobicContact SD-CB 3.75Å; M233-M249 HydrophobicContact SD-CE 3.61Å; M233-M249 HydrophobicContact SD-CG 4.41Å; M233-M249 HydrophobicContact SD-SD 3.82Å; V240-M249 HydrophobicContact CG1-SD 4.44Å; V240-M249 HydrophobicContact CG2-CE 3.74Å; V240-M249 HydrophobicContact CG2-SD 3.48Å; V240-M249 WeakPolarHBondContact CG2-SD 3.42Å; Q245-M249 HydrophobicContact CG-SD 4.22Å; Q245-M249 WeakPolarHBondContact O-CG 3.35Å; Q245-M249 PolarHBondContact O-N 3.13Å; A246-M249 PolarHBondContact O-N 3.09Å; V247-M249 PolarHBondContact O-N 3.08Å; M249-Q251 VanDerWaalsContact C-N 3.33Å; M249-V252 WeakPolarHBondContact O-CB 3.44Å; M249-V252 PolarHBondContact O-N 2.74Å; M249-M304 HydrophobicContact CE-SD 4.13Å; M249-L307 HydrophobicContact CB-CB 4.26Å; M249-L307 HydrophobicContact CE-CB 3.89Å; M249-L307 HydrophobicContact CG-CB 4.36Å |
| 250 | W | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.9 | -32.1 | 175.3 | -73.5 | 120.2 | 0 | 0 | 0 | 112.6 | L198 I202 L229 W232 M233 A246 V247 V252 L253 L254 L259 F268 F277 | L198-W250 HydrophobicContact CB-CH2 4.4Å; L198-W250 HydrophobicContact CD1-CE3 4.37Å; L198-W250 HydrophobicContact CD1-CH2 3.7Å; L198-W250 HydrophobicContact CD1-CZ3 3.55Å; I202-W250 HydrophobicContact CD1-CH2 4.27Å; L229-W250 HydrophobicContact CB-CD2 4.41Å; L229-W250 HydrophobicContact CB-CZ2 3.93Å; L229-W250 HydrophobicContact CD2-CH2 3.92Å; L229-W250 HydrophobicContact CD2-CZ2 3.92Å; L229-W250 HydrophobicContact CG-CZ2 4.44Å; L229-W250 PolarHBondContact O-NE1 2.83Å; L229-W250 VanDerWaalsContact O-NE1 3.08Å; W232-W250 HydrophobicContact CE3-CZ2 4.29Å; M233-W250 HydrophobicContact CB-CZ2 4.2Å; M233-W250 HydrophobicContact CE-CD2 3.73Å; M233-W250 HydrophobicContact CE-CE3 4.26Å; M233-W250 HydrophobicContact CE-CG 4.21Å; M233-W250 HydrophobicContact CE-CH2 4.11Å; M233-W250 HydrophobicContact CE-CZ2 3.56Å; M233-W250 HydrophobicContact CE-CZ3 4.43Å; A246-W250 PolarHBondContact O-N 2.87Å; V247-W250 PolarHBondContact O-N 3.03Å; W250-V252 PolarHBondContact O-N 3.1Å; W250-L253 HydrophobicContact CE3-CD2 4.21Å; W250-L253 HydrophobicContact CZ3-CD2 4.04Å; W250-L253 PolarHBondContact O-N 3.46Å; W250-L253 VanDerWaalsContact O-N 3.1Å; W250-L254 PolarHBondContact O-N 3.13Å; W250-L259 HydrophobicContact CE3-CD2 3.83Å; W250-L259 HydrophobicContact CZ3-CD2 4.36Å; W250-F268 HydrophobicContact CB-CD1 3.67Å; W250-F268 HydrophobicContact CB-CD2 3.64Å; W250-F268 HydrophobicContact CB-CE1 3.6Å; W250-F268 HydrophobicContact CB-CE2 3.56Å; W250-F268 HydrophobicContact CB-CG 3.69Å; W250-F268 HydrophobicContact CB-CZ 3.54Å; W250-F268 AromaticContact CD1-CE1 3.79Å; W250-F268 AromaticContact CD1-CZ 3.55Å; W250-F268 HydrophobicContact CG-CD2 4.44Å; W250-F268 AromaticContact CG-CE1 3.96Å; W250-F268 HydrophobicContact CG-CE1 3.96Å; W250-F268 AromaticContact CG-CE2 3.87Å; W250-F268 HydrophobicContact CG-CE2 3.87Å; W250-F268 AromaticContact CG-CZ 3.6Å; W250-F268 HydrophobicContact CG-CZ 3.6Å; W250-F277 HydrophobicContact CH2-CZ 4.32Å; W250-F277 HydrophobicContact CZ3-CE1 4.38Å; W250-F277 HydrophobicContact CZ3-CZ 4.03Å |
| 251 | Q | 94.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.6 | -29.6 | 175.2 | -178.2 | 55.4 | 39.6 | 0 | 0 | 112.2 | V247 G248 M249 L253 L254 E255 F268 A314 M318 | V247-Q251 VanDerWaalsContact O-CB 3.24Å; V247-Q251 WeakPolarHBondContact O-CB 3.39Å; V247-Q251 PolarHBondContact O-N 3.49Å; G248-Q251 WeakPolarHBondContact O-CB 3.41Å; G248-Q251 PolarHBondContact O-N 3.03Å; M249-Q251 VanDerWaalsContact C-N 3.33Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 2.81Å; Q251-L254 PolarHBondContact O-N 2.72Å; Q251-E255 WeakPolarHBondContact O-CG 3.22Å; Q251-E255 PolarHBondContact O-N 3.46Å; Q251-F268 HydrophobicContact CB-CB 4.26Å; Q251-A314 HydrophobicContact CG-CB 4.3Å; Q251-M318 HydrophobicContact CG-CB 4.1Å; Q251-M318 HydrophobicContact CG-SD 4Å |
| 252 | V | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | I191 G248 M249 W250 L254 D256 L307 M310 A314 | I191-V252 HydrophobicContact CD1-CG1 3.95Å; I191-V252 HydrophobicContact CG1-CG1 4.28Å; I191-V252 HydrophobicContact CG2-CG1 4.37Å; G248-V252 PolarHBondContact O-N 3.13Å; M249-V252 WeakPolarHBondContact O-CB 3.44Å; M249-V252 PolarHBondContact O-N 2.74Å; W250-V252 PolarHBondContact O-N 3.1Å; V252-L254 VanDerWaalsContact C-N 3.32Å; V252-D256 PolarHBondContact O-N 3.25Å; V252-L307 HydrophobicContact CB-CD2 4.13Å; V252-L307 HydrophobicContact CG1-CD2 3.93Å; V252-M310 HydrophobicContact CG1-CB 4.3Å; V252-M310 HydrophobicContact CG1-CE 4.08Å; V252-M310 HydrophobicContact CG1-SD 4.38Å; V252-M310 HydrophobicContact CG2-CB 3.87Å; V252-A314 HydrophobicContact CG2-CB 3.7Å |
| 253 | L | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.9 | -32.7 | -179.8 | -76 | 73.8 | 0 | 0 | 0 | 111.4 | I191 L198 W250 Q251 G257 V258 L259 F277 L307 | I191-L253 HydrophobicContact CG2-CG 4.38Å; L198-L253 HydrophobicContact CD1-CD2 3.95Å; W250-L253 HydrophobicContact CE3-CD2 4.21Å; W250-L253 HydrophobicContact CZ3-CD2 4.04Å; W250-L253 PolarHBondContact O-N 3.46Å; W250-L253 VanDerWaalsContact O-N 3.1Å; Q251-L253 VanDerWaalsContact C-N 3.34Å; Q251-L253 PolarHBondContact O-N 2.81Å; L253-G257 PolarHBondContact O-N 3.24Å; L253-V258 HydrophobicContact CB-CB 4.43Å; L253-V258 PolarHBondContact O-N 2.71Å; L253-L259 HydrophobicContact CB-CB 3.78Å; L253-L259 PolarHBondContact O-N 3.17Å; L253-L259 VanDerWaalsContact O-N 3.12Å; L253-F277 HydrophobicContact CD2-CE1 4.23Å; L253-L307 HydrophobicContact CD1-CD1 3.85Å; L253-L307 HydrophobicContact CD1-CD2 3.5Å; L253-L307 VanDerWaalsContact CD1-CD2 3.5Å; L253-L307 HydrophobicContact CD1-CG 4.33Å |
| 254 | L | 91.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74.6 | -44 | -178.9 | -173.7 | 149 | 0 | 0 | 0 | 113 | W250 Q251 V252 D256 G257 L259 H261 F268 Y275 | W250-L254 PolarHBondContact O-N 3.13Å; Q251-L254 PolarHBondContact O-N 2.72Å; V252-L254 VanDerWaalsContact C-N 3.32Å; L254-D256 PolarHBondContact O-N 3.38Å; L254-G257 PolarHBondContact O-N 2.87Å; L254-L259 WeakPolarHBondContact CA-O 3.3Å; L254-L259 WeakPolarHBondContact CB-O 3.35Å; L254-L259 WeakPolarHBondContact CG-O 3.36Å; L254-H261 HydrophobicContact CD1-CB 4.5Å; L254-F268 HydrophobicContact CD1-CB 4.11Å; L254-Y275 HydrophobicContact CD1-CD1 3.8Å; L254-Y275 HydrophobicContact CD1-CE1 3.59Å |
| 255 | E | 86.6 | Confident | 89.9 | Confident | 16 Ų | 16 | 22.3 Ų | 22.3 | 8% | 0.075 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -22.8 | 179.7 | 71 | -176.9 | 176.9 | 0 | 0 | 113.2 | T182 I183 Q251 A314 R317 | T182-E255 WeakPolarHBondContact CA-O 3.36Å; T182-E255 WeakPolarHBondContact CB-O 3.41Å; I183-E255 HydrophobicContact CD1-CB 3.92Å; I183-E255 HydrophobicContact CD1-CG 4.34Å; I183-E255 VanDerWaalsContact CD1-OE2 3.23Å; I183-E255 WeakPolarHBondContact CD1-OE2 3.35Å; I183-E255 HydrophobicContact CG1-CB 4.18Å; I183-E255 PolarHBondContact N-O 2.92Å; Q251-E255 WeakPolarHBondContact O-CG 3.22Å; Q251-E255 PolarHBondContact O-N 3.46Å; E255-A314 VanDerWaalsContact OE1-CB 3.26Å; E255-A314 WeakPolarHBondContact OE1-CB 3.49Å; E255-R317 IonicContact OE1-CZ 3.95Å; E255-R317 IonicContact OE1-NE 3.93Å; E255-R317 IonicContact OE1-NH2 3.68Å; E255-R317 PolarHBondContact OE1-NH2 3.48Å; E255-R317 IonicContact OE2-CZ 2.85Å; E255-R317 IonicContact OE2-NE 3.07Å; E255-R317 PolarHBondContact OE2-NE 3.06Å; E255-R317 IonicContact OE2-NH2 2.86Å; E255-R317 PolarHBondContact OE2-NH2 3.28Å |
| 256 | D | 84.8 | Confident | 89.2 | Confident | 12 Ų | 12 | 23.9 Ų | 23.9 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0.8 | 177.6 | -151.9 | 47.8 | 0 | 0 | 0 | 113.3 | T184 P187 S188 I191 V252 L254 V258 | T184-D256 PolarHBondContact OG1-OD1 3.45Å; P187-D256 WeakPolarHBondContact CA-OD2 3.48Å; P187-D256 WeakPolarHBondContact CB-O 3.38Å; P187-D256 WeakPolarHBondContact CG-O 3.34Å; S188-D256 PolarHBondContact N-OD2 3.39Å; I191-D256 WeakPolarHBondContact CB-OD2 3.33Å; I191-D256 HydrophobicContact CD1-CB 3.96Å; I191-D256 WeakPolarHBondContact CD1-OD2 3.36Å; I191-D256 HydrophobicContact CG2-CB 4.02Å; V252-D256 PolarHBondContact O-N 3.25Å; L254-D256 PolarHBondContact O-N 3.38Å; D256-V258 PolarHBondContact O-N 3.41Å |
| 257 | G | 86.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 11% | 0.113 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 11.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116 | L253 L254 N260 | L253-G257 PolarHBondContact O-N 3.24Å; L254-G257 PolarHBondContact O-N 2.87Å; G257-N260 WeakPolarHBondContact CA-OD1 3.22Å; G257-N260 PolarHBondContact O-ND2 2.7Å; G257-N260 PolarHBondContact O-OD1 2.87Å |
| 258 | V | 91.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -82.4 | -27 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | P187 I191 L192 L253 D256 L278 | P187-V258 HydrophobicContact CB-CG2 3.75Å; P187-V258 HydrophobicContact CG-CG2 4.32Å; I191-V258 HydrophobicContact CG2-CB 4.48Å; I191-V258 HydrophobicContact CG2-CG2 3.95Å; L192-V258 HydrophobicContact CD1-CG2 4.3Å; L253-V258 HydrophobicContact CB-CB 4.43Å; L253-V258 PolarHBondContact O-N 2.71Å; D256-V258 PolarHBondContact O-N 3.41Å; V258-L278 PolarHBondContact O-N 3.47Å |
| 259 | L | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 114.3 | 172.5 | 177.5 | 70.8 | 0 | 0 | 0 | 109.5 | L229 W250 L253 L254 F268 F277 | L229-L259 HydrophobicContact CD1-CD2 4.12Å; W250-L259 HydrophobicContact CE3-CD2 3.83Å; W250-L259 HydrophobicContact CZ3-CD2 4.36Å; L253-L259 HydrophobicContact CB-CB 3.78Å; L253-L259 PolarHBondContact O-N 3.17Å; L253-L259 VanDerWaalsContact O-N 3.12Å; L254-L259 WeakPolarHBondContact CA-O 3.3Å; L254-L259 WeakPolarHBondContact CB-O 3.35Å; L254-L259 WeakPolarHBondContact CG-O 3.36Å; L259-F268 HydrophobicContact CD2-CD2 4.31Å; L259-F268 HydrophobicContact CD2-CE2 4.27Å; L259-F277 HydrophobicContact CD1-CD1 4.19Å; L259-F277 HydrophobicContact CD1-CD2 4.19Å; L259-F277 HydrophobicContact CD1-CE1 4.27Å; L259-F277 HydrophobicContact CD1-CE2 4.25Å; L259-F277 HydrophobicContact CD1-CG 4.15Å; L259-F277 HydrophobicContact CD1-CZ 4.29Å |
| 260 | N | 91 | Very high | 88.6 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.2 | -171.4 | -62 | -61.3 | 0 | 0 | 0 | 111.7 | G257 Y275 R276 | G257-N260 WeakPolarHBondContact CA-OD1 3.22Å; G257-N260 PolarHBondContact O-ND2 2.7Å; G257-N260 PolarHBondContact O-OD1 2.87Å; N260-Y275 CarbonylContact O-C 3.59Å; N260-Y275 WeakPolarHBondContact O-CA 3.2Å; N260-R276 PolarHBondContact N-O 3.22Å; N260-R276 PolarHBondContact O-N 3.14Å |
| 261 | H | 91.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.023 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.5 | 165.3 | -177.2 | -92.1 | 0 | 0 | 0 | 108.8 | L254 D263 Q264 H266 F274 Y275 | L254-H261 HydrophobicContact CD1-CB 4.5Å; H261-D263 IonicContact CE1-OD2 3.58Å; H261-D263 PolarHBondContact ND1-N 2.85Å; H261-D263 VanDerWaalsContact ND1-N 3.18Å; H261-D263 PolarHBondContact O-N 2.84Å; H261-D263 VanDerWaalsContact O-N 3.07Å; H261-Q264 PolarHBondContact O-N 3.44Å; H261-H266 AromaticContact CE1-CD2 3.58Å; H261-H266 AromaticContact NE2-CD2 3.59Å; H261-F274 PolarHBondContact CD2-O 3.43Å; H261-F274 VanDerWaalsContact CD2-O 3.29Å; H261-Y275 HydrophobicContact CB-CD1 3.96Å; H261-Y275 HydrophobicContact CB-CE1 3.89Å; H261-Y275 AromaticContact CD2-CE1 3.74Å; H261-Y275 AromaticContact CD2-CZ 3.94Å |
| 262 | V | 88.6 | Confident | 88.6 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.9 | -170.7 | -65.1 | 0 | 0 | 0 | 0 | 114.2 | Y220 C223 F274 | Y220-V262 HydrophobicContact CD1-CB 3.79Å; Y220-V262 HydrophobicContact CD1-CG1 4.18Å; Y220-V262 HydrophobicContact CD1-CG2 3.54Å; Y220-V262 HydrophobicContact CE1-CB 4.17Å; Y220-V262 HydrophobicContact CE1-CG2 3.62Å; Y220-V262 HydrophobicContact CG-CG2 4.44Å; C223-V262 HydrophobicContact CB-CG1 4.31Å; V262-F274 HydrophobicContact CB-CB 4.5Å; V262-F274 HydrophobicContact CG1-CB 3.88Å; V262-F274 HydrophobicContact CG2-CB 3.78Å; V262-F274 HydrophobicContact CG2-CD2 4.47Å; V262-F274 PolarHBondContact N-O 2.99Å; V262-F274 VanDerWaalsContact N-O 3.11Å |
| 263 | D | 83 | Confident | 88.6 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -3.6 | 177.7 | -55.1 | -49.1 | 0 | 0 | 0 | 113.7 | H261 E265 | H261-D263 IonicContact CE1-OD2 3.58Å; H261-D263 PolarHBondContact ND1-N 2.85Å; H261-D263 VanDerWaalsContact ND1-N 3.18Å; H261-D263 PolarHBondContact O-N 2.84Å; H261-D263 VanDerWaalsContact O-N 3.07Å; D263-E265 HydrophobicContact CB-CG 4.15Å; D263-E265 WeakPolarHBondContact O-CG 3.37Å; D263-E265 PolarHBondContact O-N 3.15Å; D263-E265 VanDerWaalsContact O-N 3.16Å |
| 264 | Q | 79.9 | Confident | 88.7 | Confident | 124 Ų | 124 | 43.6 Ų | 43.6 | 58% | 0.579 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 54.9 | 27.6 | -175 | -54.9 | -177.2 | -2.2 | 0 | 0 | 115.1 | A180 H261 | A180-Q264 HydrophobicContact CB-CB 4.27Å; A180-Q264 WeakPolarHBondContact CB-O 3.49Å; H261-Q264 PolarHBondContact O-N 3.44Å |
| 265 | E | 74.1 | Confident | 88.9 | Confident | 113 Ų | 113 | 43.4 Ų | 43.4 | 53% | 0.528 | 21% | 0.207 | S | C | . | . | trans | -103.4 | -17 | -179.1 | -65.1 | -170 | 166.9 | 0 | 0 | 114.2 | P179 D263 | P179-E265 VanDerWaalsContact CB-O 3.27Å; P179-E265 WeakPolarHBondContact CB-O 3.38Å; P179-E265 VanDerWaalsContact CD-O 3.3Å; P179-E265 WeakPolarHBondContact CD-O 3.39Å; P179-E265 WeakPolarHBondContact CG-O 3.48Å; D263-E265 HydrophobicContact CB-CG 4.15Å; D263-E265 WeakPolarHBondContact O-CG 3.37Å; D263-E265 PolarHBondContact O-N 3.15Å; D263-E265 VanDerWaalsContact O-N 3.16Å | ||
| 266 | H | 77.1 | Confident | 89.3 | Confident | 58 Ų | 58 | 44.5 Ų | 44.5 | 27% | 0.269 | 21% | 0.21 | S | C | . | . | trans | -125.9 | 141.2 | -171.4 | -60.6 | -50.9 | 0 | 0 | 0 | 112.9 | A180 H261 L273 | A180-H266 VanDerWaalsContact CB-O 3.27Å; A180-H266 WeakPolarHBondContact CB-O 3.24Å; H261-H266 AromaticContact CE1-CD2 3.58Å; H261-H266 AromaticContact NE2-CD2 3.59Å; H266-L273 HydrophobicContact CB-CD1 4.12Å | ||
| 267 | H | 85.4 | Confident | 89.8 | Confident | 26 Ų | 26 | 44 Ų | 44 | 12% | 0.12 | 21% | 0.208 | C | C | . | . | trans | -60.1 | 168.3 | 154.9 | -62.4 | -65.4 | 0 | 0 | 0 | 110.6 | P179 Q269 Y275 M318 R321 | P179-H267 PolarHBondContact O-CE1 3.02Å; P179-H267 PolarHBondContact O-ND1 3.19Å; P179-H267 PolarHBondContact O-NE2 2.97Å; H267-Q269 PolarHBondContact O-N 3.15Å; H267-Y275 PolarHBondContact O-OH 2.87Å; H267-M318 HydrophobicContact CB-CG 3.71Å; H267-M318 HydrophobicContact CB-SD 3.57Å; H267-M318 VanDerWaalsContact CB-SD 3.57Å; H267-R321 PolarHBondContact CE1-NH1 3.38Å | ||
| 268 | F | 93.4 | Very high | 90 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | trans | -62.3 | 126 | 174 | -170.1 | -89.8 | 0 | 0 | 0 | 109.9 | L229 V230 V247 W250 Q251 L254 L259 Y275 | L229-F268 HydrophobicContact CB-CZ 4.27Å; L229-F268 HydrophobicContact CD1-CE2 4.01Å; V230-F268 HydrophobicContact CG2-CE1 3.77Å; V230-F268 HydrophobicContact CG2-CZ 4.06Å; V247-F268 HydrophobicContact CB-CD1 4.27Å; V247-F268 HydrophobicContact CG1-CD1 4.16Å; V247-F268 HydrophobicContact CG2-CD1 4.22Å; V247-F268 HydrophobicContact CG2-CE1 4.17Å; W250-F268 HydrophobicContact CB-CD1 3.67Å; W250-F268 HydrophobicContact CB-CD2 3.64Å; W250-F268 HydrophobicContact CB-CE1 3.6Å; W250-F268 HydrophobicContact CB-CE2 3.56Å; W250-F268 HydrophobicContact CB-CG 3.69Å; W250-F268 HydrophobicContact CB-CZ 3.54Å; W250-F268 AromaticContact CD1-CE1 3.79Å; W250-F268 AromaticContact CD1-CZ 3.55Å; W250-F268 HydrophobicContact CG-CD2 4.44Å; W250-F268 AromaticContact CG-CE1 3.96Å; W250-F268 HydrophobicContact CG-CE1 3.96Å; W250-F268 AromaticContact CG-CE2 3.87Å; W250-F268 HydrophobicContact CG-CE2 3.87Å; W250-F268 AromaticContact CG-CZ 3.6Å; W250-F268 HydrophobicContact CG-CZ 3.6Å; Q251-F268 HydrophobicContact CB-CB 4.26Å; L254-F268 HydrophobicContact CD1-CB 4.11Å; L259-F268 HydrophobicContact CD2-CD2 4.31Å; L259-F268 HydrophobicContact CD2-CE2 4.27Å; F268-Y275 HydrophobicContact CD2-CD1 4.19Å; F268-Y275 AromaticContact CD2-CE1 3.87Å; F268-Y275 HydrophobicContact CD2-CE1 3.87Å; F268-Y275 HydrophobicContact CD2-CE2 4.27Å; F268-Y275 AromaticContact CD2-CZ 3.91Å; F268-Y275 HydrophobicContact CE2-CD2 4.28Å; F268-Y275 HydrophobicContact CE2-CE2 4.17Å | ||
| 269 | Q | 91.4 | Very high | 89.9 | Confident | 57 Ų | 57 | 49 Ų | 49 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | trans | -132.5 | 139 | 178.1 | -64 | -177.8 | 12.8 | 0 | 0 | 109.8 | H267 K271 L273 Y275 | H267-Q269 PolarHBondContact O-N 3.15Å; Q269-K271 HydrophobicContact CB-CB 4.33Å; Q269-K271 HydrophobicContact CB-CD 4.4Å; Q269-K271 HydrophobicContact CB-CG 4.2Å; Q269-K271 PolarHBondContact O-N 3.19Å; Q269-K271 VanDerWaalsContact OE1-CD 3.31Å; Q269-L273 HydrophobicContact CB-CD1 4.16Å; Q269-Y275 PolarHBondContact N-OH 2.84Å; Q269-Y275 PolarHBondContact O-OH 3.37Å | ||
| 270 | D | 95.1 | Very high | 89.8 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -72.8 | 66.9 | 168.8 | -174.4 | 21.5 | 0 | 0 | 0 | 110.6 | T227 V230 R243 V247 | T227-D270 WeakPolarHBondContact CA-OD1 3.25Å; T227-D270 WeakPolarHBondContact CG2-OD1 3.47Å; V230-D270 HydrophobicContact CG2-CB 4.19Å; R243-D270 IonicContact CZ-OD1 2.77Å; R243-D270 IonicContact CZ-OD2 3.85Å; R243-D270 VanDerWaalsContact CZ-OD2 3.32Å; R243-D270 IonicContact NE-OD1 2.78Å; R243-D270 IonicContact NE-OD2 3.87Å; R243-D270 PolarHBondContact NE-OD2 3.28Å; R243-D270 IonicContact NH2-OD1 3.23Å; R243-D270 PolarHBondContact NH2-OD1 3.36Å; R243-D270 IonicContact NH2-OD2 2.75Å; R243-D270 PolarHBondContact NH2-OD2 3.24Å; V247-D270 HydrophobicContact CG2-CB 3.77Å |
| 271 | K | 94.4 | Very high | 89.5 | Confident | 118 Ų | 118 | 52.3 Ų | 52.3 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -141.2 | 171 | -178.3 | -69.5 | -171.9 | -170.3 | 160 | 0 | 110.3 | T227 Q269 L273 | T227-K271 PolarHBondContact N-O 3.04Å; Q269-K271 HydrophobicContact CB-CB 4.33Å; Q269-K271 HydrophobicContact CB-CD 4.4Å; Q269-K271 HydrophobicContact CB-CG 4.2Å; Q269-K271 PolarHBondContact O-N 3.19Å; Q269-K271 VanDerWaalsContact OE1-CD 3.31Å; K271-L273 HydrophobicContact CB-CD1 4.37Å; K271-L273 HydrophobicContact CB-CG 4.14Å; K271-L273 PolarHBondContact O-N 3.37Å |
| 272 | Y | 94.4 | Very high | 89.1 | Confident | 138 Ų | 138 | 58.8 Ų | 58.8 | 54% | 0.541 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -73.7 | 64.4 | 172.1 | -163.8 | -98.4 | 0 | 0 | 0 | 111.1 | V225 F274 | V225-Y272 HydrophobicContact CG1-CD2 3.71Å; V225-Y272 HydrophobicContact CG1-CE2 4.19Å; V225-Y272 HydrophobicContact CG1-CG 4.36Å; V225-Y272 HydrophobicContact CG2-CD2 4.33Å; V225-Y272 HydrophobicContact CG2-CE2 4Å; Y272-F274 HydrophobicContact CD1-CE1 4.37Å; Y272-F274 AromaticContact CE1-CE1 3.81Å; Y272-F274 HydrophobicContact CE1-CE1 3.81Å; Y272-F274 AromaticContact CE1-CZ 3.87Å; Y272-F274 HydrophobicContact CE1-CZ 3.87Å; Y272-F274 AromaticContact CZ-CE1 3.97Å |
| 273 | L | 94.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | trans | -119.1 | 149.9 | 176.5 | -67.3 | 178.8 | 0 | 0 | 0 | 109.4 | V225 G226 H266 Q269 K271 Y275 | V225-L273 WeakPolarHBondContact CA-O 3.41Å; G226-L273 PolarHBondContact N-O 2.85Å; H266-L273 HydrophobicContact CB-CD1 4.12Å; Q269-L273 HydrophobicContact CB-CD1 4.16Å; K271-L273 HydrophobicContact CB-CD1 4.37Å; K271-L273 HydrophobicContact CB-CG 4.14Å; K271-L273 PolarHBondContact O-N 3.37Å; L273-Y275 HydrophobicContact CB-CE2 3.83Å; L273-Y275 WeakPolarHBondContact O-CD2 3.38Å; L273-Y275 WeakPolarHBondContact O-CE2 3.3Å | ||
| 274 | F | 95.6 | Very high | 88.1 | Confident | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.5 | -174.6 | -51.3 | -40.3 | 0 | 0 | 0 | 112.5 | R213 Y215 Y220 C223 C224 V225 H261 V262 Y272 | R213-F274 HydrophobicContact CB-CE1 4.29Å; R213-F274 HydrophobicContact CB-CZ 4.21Å; Y215-F274 HydrophobicContact CG-CE2 4.16Å; Y215-F274 HydrophobicContact CG-CZ 4.36Å; Y220-F274 HydrophobicContact CD1-CD2 4.36Å; Y220-F274 AromaticContact CD2-CD2 3.61Å; Y220-F274 HydrophobicContact CD2-CD2 3.61Å; Y220-F274 AromaticContact CD2-CE2 3.65Å; Y220-F274 HydrophobicContact CD2-CE2 3.65Å; Y220-F274 HydrophobicContact CE2-CD2 4.09Å; Y220-F274 HydrophobicContact CE2-CE2 4.02Å; Y220-F274 AromaticContact CG-CD2 3.76Å; Y220-F274 HydrophobicContact CG-CD2 3.76Å; Y220-F274 HydrophobicContact CG-CE2 4.26Å; C223-F274 HydrophobicContact CB-CB 4.26Å; C224-F274 CarbonylContact O-C 3.59Å; C224-F274 VanDerWaalsContact O-CA 3.24Å; C224-F274 WeakPolarHBondContact O-CA 3.32Å; V225-F274 HydrophobicContact CG2-CD1 3.82Å; V225-F274 HydrophobicContact CG2-CE1 3.87Å; H261-F274 PolarHBondContact CD2-O 3.43Å; H261-F274 VanDerWaalsContact CD2-O 3.29Å; V262-F274 HydrophobicContact CB-CB 4.5Å; V262-F274 HydrophobicContact CG1-CB 3.88Å; V262-F274 HydrophobicContact CG2-CB 3.78Å; V262-F274 HydrophobicContact CG2-CD2 4.47Å; V262-F274 PolarHBondContact N-O 2.99Å; V262-F274 VanDerWaalsContact N-O 3.11Å; Y272-F274 HydrophobicContact CD1-CE1 4.37Å; Y272-F274 AromaticContact CE1-CE1 3.81Å; Y272-F274 HydrophobicContact CE1-CE1 3.81Å; Y272-F274 AromaticContact CE1-CZ 3.87Å; Y272-F274 HydrophobicContact CE1-CZ 3.87Å; Y272-F274 AromaticContact CZ-CE1 3.97Å |
| 275 | Y | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.6 | 178.6 | -55.7 | -93.6 | 0 | 0 | 0 | 110.5 | C223 C224 L254 N260 H261 H267 F268 Q269 L273 | C223-Y275 CarbonylContact C-O 3.55Å; C223-Y275 WeakPolarHBondContact CA-O 3.48Å; C223-Y275 WeakPolarHBondContact CB-O 3.37Å; C224-Y275 PolarHBondContact N-O 3.36Å; C224-Y275 PolarHBondContact O-N 3.15Å; L254-Y275 HydrophobicContact CD1-CD1 3.8Å; L254-Y275 HydrophobicContact CD1-CE1 3.59Å; N260-Y275 CarbonylContact O-C 3.59Å; N260-Y275 WeakPolarHBondContact O-CA 3.2Å; H261-Y275 HydrophobicContact CB-CD1 3.96Å; H261-Y275 HydrophobicContact CB-CE1 3.89Å; H261-Y275 AromaticContact CD2-CE1 3.74Å; H261-Y275 AromaticContact CD2-CZ 3.94Å; H267-Y275 PolarHBondContact O-OH 2.87Å; F268-Y275 HydrophobicContact CD2-CD1 4.19Å; F268-Y275 AromaticContact CD2-CE1 3.87Å; F268-Y275 HydrophobicContact CD2-CE1 3.87Å; F268-Y275 HydrophobicContact CD2-CE2 4.27Å; F268-Y275 AromaticContact CD2-CZ 3.91Å; F268-Y275 HydrophobicContact CE2-CD2 4.28Å; F268-Y275 HydrophobicContact CE2-CE2 4.17Å; Q269-Y275 PolarHBondContact N-OH 2.84Å; Q269-Y275 PolarHBondContact O-OH 3.37Å; L273-Y275 HydrophobicContact CB-CE2 3.83Å; L273-Y275 WeakPolarHBondContact O-CD2 3.38Å; L273-Y275 WeakPolarHBondContact O-CE2 3.3Å |
| 276 | R | 95 | Very high | 88.8 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.7 | -178.9 | -166.6 | -178 | -58.2 | 124.4 | -1.7 | 110.8 | R221 N260 D280 E281 | R221-R276 PolarHBondContact O-NE 3.16Å; R221-R276 VanDerWaalsContact O-NE 3.1Å; N260-R276 PolarHBondContact N-O 3.22Å; N260-R276 PolarHBondContact O-N 3.14Å; R276-D280 WeakPolarHBondContact CD-O 3.14Å; R276-D280 HydrophobicContact CG-CB 3.89Å; R276-E281 WeakPolarHBondContact CD-OE1 3.31Å; R276-E281 IonicContact CZ-OE1 2.85Å; R276-E281 VanDerWaalsContact NH1-CD 3.33Å; R276-E281 IonicContact NH1-OE1 3.2Å; R276-E281 PolarHBondContact NH1-OE1 3.46Å; R276-E281 IonicContact NH1-OE2 3.13Å; R276-E281 PolarHBondContact NH1-OE2 3.04Å; R276-E281 VanDerWaalsContact NH1-OE2 3.13Å |
| 277 | F | 94.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.013 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 149.5 | 172.2 | -75.6 | -84.4 | 0 | 0 | 0 | 110.3 | R199 I202 I210 W250 L253 L259 D279 D280 E281 | R199-F277 HydrophobicContact CB-CD1 4.08Å; R199-F277 HydrophobicContact CB-CD2 4.27Å; R199-F277 HydrophobicContact CB-CE1 4.24Å; R199-F277 HydrophobicContact CB-CE2 4.44Å; R199-F277 HydrophobicContact CB-CG 4.09Å; R199-F277 HydrophobicContact CB-CZ 4.42Å; R199-F277 HydrophobicContact CG-CB 4.49Å; R199-F277 HydrophobicContact CG-CD2 4.26Å; R199-F277 HydrophobicContact CG-CG 4.26Å; I202-F277 HydrophobicContact CD1-CE2 4.01Å; I202-F277 HydrophobicContact CD1-CZ 3.97Å; I210-F277 HydrophobicContact CD1-CD2 4.23Å; I210-F277 HydrophobicContact CD1-CE2 4.29Å; W250-F277 HydrophobicContact CH2-CZ 4.32Å; W250-F277 HydrophobicContact CZ3-CE1 4.38Å; W250-F277 HydrophobicContact CZ3-CZ 4.03Å; L253-F277 HydrophobicContact CD2-CE1 4.23Å; L259-F277 HydrophobicContact CD1-CD1 4.19Å; L259-F277 HydrophobicContact CD1-CD2 4.19Å; L259-F277 HydrophobicContact CD1-CE1 4.27Å; L259-F277 HydrophobicContact CD1-CE2 4.25Å; L259-F277 HydrophobicContact CD1-CG 4.15Å; L259-F277 HydrophobicContact CD1-CZ 4.29Å; F277-D279 VanDerWaalsContact C-N 3.27Å; F277-D279 PolarHBondContact O-N 2.82Å; F277-D280 PolarHBondContact O-N 2.86Å; F277-E281 PolarHBondContact O-N 3.45Å |
| 278 | L | 90.7 | Very high | 89.5 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -55.3 | -40.9 | -179.8 | -175.4 | 61.6 | 0 | 0 | 0 | 112.9 | L192 V258 D280 E281 | L192-L278 HydrophobicContact CD1-CD2 3.81Å; V258-L278 PolarHBondContact O-N 3.47Å; L278-D280 PolarHBondContact O-N 3.18Å; L278-E281 WeakPolarHBondContact O-CB 3.36Å; L278-E281 PolarHBondContact O-N 3.04Å |
| 279 | D | 88.9 | Confident | 89.5 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -62.7 | -28.8 | 177.7 | -67.3 | -16.1 | 0 | 0 | 0 | 113 | F277 E281 A285 | F277-D279 VanDerWaalsContact C-N 3.27Å; F277-D279 PolarHBondContact O-N 2.82Å; D279-E281 VanDerWaalsContact C-N 3.35Å; D279-A285 VanDerWaalsContact O-CB 3.28Å; D279-A285 WeakPolarHBondContact O-CB 3.39Å |
| 280 | D | 91.2 | Very high | 89.4 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -86.9 | -1.9 | -178.3 | -64.1 | -46.1 | 0 | 0 | 0 | 113 | R199 Q222 R276 F277 L278 H282 | R199-D280 IonicContact CZ-OD1 2.69Å; R199-D280 IonicContact NE-OD1 2.65Å; R199-D280 PolarHBondContact NE-OD1 3.48Å; R199-D280 IonicContact NE-OD2 3.2Å; R199-D280 PolarHBondContact NE-OD2 2.94Å; R199-D280 IonicContact NH2-OD1 2.67Å; R199-D280 PolarHBondContact NH2-OD1 3.41Å; Q222-D280 HydrophobicContact CB-CB 4.14Å; R276-D280 WeakPolarHBondContact CD-O 3.14Å; R276-D280 HydrophobicContact CG-CB 3.89Å; F277-D280 PolarHBondContact O-N 2.86Å; L278-D280 PolarHBondContact O-N 3.18Å; D280-H282 PolarHBondContact O-N 3.43Å |
| 281 | E | 85.3 | Confident | 89.2 | Confident | 88 Ų | 88 | 79.3 Ų | 79.3 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -67.9 | -25.4 | 169.6 | -73.9 | -67.7 | 157.6 | 0 | 0 | 111.8 | R276 F277 L278 D279 | R276-E281 WeakPolarHBondContact CD-OE1 3.31Å; R276-E281 IonicContact CZ-OE1 2.85Å; R276-E281 VanDerWaalsContact NH1-CD 3.33Å; R276-E281 IonicContact NH1-OE1 3.2Å; R276-E281 PolarHBondContact NH1-OE1 3.46Å; R276-E281 IonicContact NH1-OE2 3.13Å; R276-E281 PolarHBondContact NH1-OE2 3.04Å; R276-E281 VanDerWaalsContact NH1-OE2 3.13Å; F277-E281 PolarHBondContact O-N 3.45Å; L278-E281 WeakPolarHBondContact O-CB 3.36Å; L278-E281 PolarHBondContact O-N 3.04Å; D279-E281 VanDerWaalsContact C-N 3.35Å |
| 282 | H | 83.5 | Confident | 89 | Confident | 141 Ų | 141 | 75.7 Ų | 75.7 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -82.6 | 135 | 175.5 | -63.6 | -57.8 | 0 | 0 | 0 | 111.2 | D280 D284 A285 | D280-H282 PolarHBondContact O-N 3.43Å; H282-D284 PolarHBondContact O-N 3.17Å; H282-A285 PolarHBondContact O-N 3.36Å |
| 283 | E | 72.5 | Confident | 88.8 | Confident | 145 Ų | 145 | 72.2 Ų | 72.2 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.3 | -172.9 | -156.3 | 169.4 | -170.7 | 0 | 0 | 113.3 | R221 | R221-E283 IonicContact CZ-OE1 3.42Å; R221-E283 IonicContact NH1-OE1 2.72Å; R221-E283 PolarHBondContact NH1-OE1 3.15Å; R221-E283 IonicContact NH2-OE1 3.38Å; R221-E283 PolarHBondContact NH2-OE1 3.09Å |
| 284 | D | 78.6 | Confident | 88.4 | Confident | 154 Ų | 154 | 77 Ų | 77 | 82% | 0.824 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 44.9 | 179.2 | -64.5 | -40.3 | 0 | 0 | 0 | 112.4 | H282 P286 | H282-D284 PolarHBondContact O-N 3.17Å; D284-P286 WeakPolarHBondContact O-CD 3.44Å |
| 285 | A | 82.9 | Confident | 88.1 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 24% | 0.24 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 118.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D279 H282 | D279-A285 VanDerWaalsContact O-CB 3.28Å; D279-A285 WeakPolarHBondContact O-CB 3.39Å; H282-A285 PolarHBondContact O-N 3.36Å |
| 286 | P | 85.6 | Confident | 87.8 | Confident | 104 Ų | 104 | 80.2 Ų | 80.2 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 148.3 | -175.6 | 26.6 | -33.3 | 0 | 0 | 0 | 111.6 | D284 | D284-P286 WeakPolarHBondContact O-CD 3.44Š|
| 287 | L | 87.1 | Confident | 87.4 | Confident | 140 Ų | 140 | 82.7 Ų | 82.7 | 73% | 0.733 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 148.4 | 169.6 | -68.7 | 175.2 | 0 | 0 | 0 | 110.2 | T289 | L287-T289 PolarHBondContact O-N 2.89Š|
| 288 | P | 90.4 | Very high | 87 | Confident | 13 Ų | 13 | 88.7 Ų | 88.7 | 8% | 0.084 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 132.7 | -179.9 | -18.7 | 30.2 | 0 | 0 | 0 | 111.5 | N200 L203 K293 | N200-P288 HydrophobicContact CB-CB 4.25Å; N200-P288 HydrophobicContact CB-CG 4.08Å; N200-P288 WeakPolarHBondContact OD1-CG 3.45Å; L203-P288 HydrophobicContact CB-CG 4.13Å; L203-P288 HydrophobicContact CD1-CG 3.92Å; P288-K293 HydrophobicContact CB-CG 4.04Å; P288-K293 WeakPolarHBondContact O-CE 3.36Å |
| 289 | T | 92.4 | Very high | 87 | Confident | 73 Ų | 73 | 88.9 Ų | 88.9 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -68 | 159.7 | 172 | 61 | 0 | 0 | 0 | 0 | 111.2 | L287 E291 E292 K293 | L287-T289 PolarHBondContact O-N 2.89Å; T289-E291 PolarHBondContact O-N 3.21Å; T289-E292 PolarHBondContact N-OE2 3.36Å; T289-E292 PolarHBondContact O-N 3.42Å; T289-E292 VanDerWaalsContact O-N 3.16Å; T289-E292 WeakPolarHBondContact OG1-CB 3.38Å; T289-E292 WeakPolarHBondContact OG1-CG 3.49Å; T289-E292 PolarHBondContact OG1-N 2.92Å; T289-E292 PolarHBondContact OG1-OE2 2.9Å; T289-K293 WeakPolarHBondContact O-CG 3.49Å; T289-K293 PolarHBondContact O-N 3.45Å |
| 290 | E | 89.4 | Confident | 87 | Confident | 141 Ų | 141 | 86.5 Ų | 86.5 | 66% | 0.659 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.4 | -30.6 | 177.3 | -68.1 | -58.1 | 127 | 0 | 0 | 112.8 | K293 K294 | E290-K293 IonicContact OE1-NZ 3.85Å; E290-K293 PolarHBondContact OE1-NZ 3.04Å; E290-K294 PolarHBondContact O-N 3.47Å; E290-K294 VanDerWaalsContact O-N 3.11Å |
| 291 | E | 90.4 | Very high | 86.8 | Confident | 163 Ų | 163 | 87 Ų | 87 | 76% | 0.762 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.4 | -47.6 | 173.1 | -68.2 | -178.8 | 177.1 | 0 | 0 | 111.2 | T289 K293 K294 E295 | T289-E291 PolarHBondContact O-N 3.21Å; E291-K293 VanDerWaalsContact C-N 3.3Å; E291-K293 PolarHBondContact O-N 2.88Å; E291-K294 PolarHBondContact O-N 3.35Å; E291-E295 WeakPolarHBondContact O-CB 3.47Å; E291-E295 PolarHBondContact O-N 3.07Å |
| 292 | E | 90.4 | Very high | 86.9 | Confident | 43 Ų | 43 | 88 Ų | 88 | 20% | 0.201 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.5 | -31.8 | 176.8 | -72.3 | 171.3 | 131.1 | 0 | 0 | 112.8 | K196 T289 C296 | K196-E292 VanDerWaalsContact CE-OE1 3.25Å; K196-E292 WeakPolarHBondContact CE-OE1 3.45Å; K196-E292 IonicContact NZ-OE1 2.79Å; K196-E292 PolarHBondContact NZ-OE1 3.48Å; T289-E292 PolarHBondContact N-OE2 3.36Å; T289-E292 PolarHBondContact O-N 3.42Å; T289-E292 VanDerWaalsContact O-N 3.16Å; T289-E292 WeakPolarHBondContact OG1-CB 3.38Å; T289-E292 WeakPolarHBondContact OG1-CG 3.49Å; T289-E292 PolarHBondContact OG1-N 2.92Å; T289-E292 PolarHBondContact OG1-OE2 2.9Å; E292-C296 WeakPolarHBondContact O-CB 3.24Å; E292-C296 PolarHBondContact O-N 3.34Å |
| 293 | K | 89.7 | Confident | 87.3 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 173 | -70.6 | 180 | -170.4 | 167.1 | 0 | 111.3 | P288 T289 E290 E291 C296 D297 | P288-K293 HydrophobicContact CB-CG 4.04Å; P288-K293 WeakPolarHBondContact O-CE 3.36Å; T289-K293 WeakPolarHBondContact O-CG 3.49Å; T289-K293 PolarHBondContact O-N 3.45Å; E290-K293 IonicContact OE1-NZ 3.85Å; E290-K293 PolarHBondContact OE1-NZ 3.04Å; E291-K293 VanDerWaalsContact C-N 3.3Å; E291-K293 PolarHBondContact O-N 2.88Å; K293-C296 PolarHBondContact O-N 2.74Å; K293-D297 PolarHBondContact O-N 3.29Å |
| 294 | K | 87.2 | Confident | 88.1 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 59% | 0.587 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.8 | -47.3 | 177.3 | -175.6 | -174.3 | 171.4 | -165.3 | 0 | 111.3 | E290 E291 C296 D297 E298 | E290-K294 PolarHBondContact O-N 3.47Å; E290-K294 VanDerWaalsContact O-N 3.11Å; E291-K294 PolarHBondContact O-N 3.35Å; K294-C296 VanDerWaalsContact C-N 3.31Å; K294-C296 PolarHBondContact O-N 3.18Å; K294-D297 PolarHBondContact O-N 2.87Å; K294-E298 VanDerWaalsContact CE-OE1 3.25Å; K294-E298 WeakPolarHBondContact CE-OE1 3.46Å; K294-E298 WeakPolarHBondContact O-CG 3.34Å; K294-E298 PolarHBondContact O-N 2.71Å; K294-E298 VanDerWaalsContact O-N 3.1Å |
| 295 | E | 89.1 | Confident | 88.6 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.5 | -171.3 | -178.2 | -157.2 | 0 | 0 | 111.1 | R193 E291 D297 E298 E299 | R193-E295 IonicContact CZ-OE1 3.74Å; R193-E295 IonicContact NH1-OE1 2.78Å; R193-E295 PolarHBondContact NH1-OE1 2.87Å; R193-E295 IonicContact NH1-OE2 2.86Å; R193-E295 IonicContact NH2-OE1 2.68Å; R193-E295 PolarHBondContact NH2-OE1 2.85Å; R193-E295 IonicContact NH2-OE2 3.17Å; E291-E295 WeakPolarHBondContact O-CB 3.47Å; E291-E295 PolarHBondContact O-N 3.07Å; E295-D297 PolarHBondContact O-N 2.9Å; E295-E298 PolarHBondContact O-N 3.44Å; E295-E299 PolarHBondContact O-N 2.87Å |
| 296 | C | 89.5 | Confident | 88.9 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 173.8 | 170.1 | 0 | 0 | 0 | 0 | 112.5 | I197 N200 A201 E292 K293 K294 E298 E299 L300 | I197-C296 PolarHBondContact O-SG 3.37Å; N200-C296 HydrophobicContact CB-CB 4.23Å; A201-C296 VanDerWaalsContact CB-SG 3.54Å; A201-C296 PolarHBondContact N-SG 3.21Å; A201-C296 VanDerWaalsContact N-SG 3.38Å; E292-C296 WeakPolarHBondContact O-CB 3.24Å; E292-C296 PolarHBondContact O-N 3.34Å; K293-C296 PolarHBondContact O-N 2.74Å; K294-C296 VanDerWaalsContact C-N 3.31Å; K294-C296 PolarHBondContact O-N 3.18Å; C296-E298 PolarHBondContact O-N 3.18Å; C296-E299 PolarHBondContact O-N 3.16Å; C296-L300 VanDerWaalsContact O-CB 3.24Å; C296-L300 WeakPolarHBondContact O-CB 3.49Å; C296-L300 PolarHBondContact O-N 3.4Å |
| 297 | D | 85.9 | Confident | 89.3 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -29.8 | 178.8 | -89.5 | -14 | 0 | 0 | 0 | 112.6 | R205 K293 K294 E295 | R205-D297 IonicContact CZ-OD1 3.32Å; R205-D297 IonicContact NE-OD1 2.75Å; R205-D297 IonicContact NH2-OD1 3.39Å; R205-D297 PolarHBondContact NH2-OD1 2.99Å; K293-D297 PolarHBondContact O-N 3.29Å; K294-D297 PolarHBondContact O-N 2.87Å; E295-D297 PolarHBondContact O-N 2.9Å |
| 298 | E | 86.3 | Confident | 89.5 | Confident | 129 Ų | 129 | 59.9 Ų | 59.9 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76.2 | -42.9 | 175.6 | -69.9 | 176.2 | -174.4 | 0 | 0 | 112 | K294 E295 C296 | K294-E298 VanDerWaalsContact CE-OE1 3.25Å; K294-E298 WeakPolarHBondContact CE-OE1 3.46Å; K294-E298 WeakPolarHBondContact O-CG 3.34Å; K294-E298 PolarHBondContact O-N 2.71Å; K294-E298 VanDerWaalsContact O-N 3.1Å; E295-E298 PolarHBondContact O-N 3.44Å; C296-E298 PolarHBondContact O-N 3.18Å |
| 299 | E | 89.9 | Confident | 89.3 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -90.6 | -11 | -174.7 | -66.8 | -176.9 | -168.6 | 0 | 0 | 115 | R193 I197 E295 C296 Q301 D302 T303 | R193-E299 IonicContact CZ-OE1 2.66Å; R193-E299 IonicContact CZ-OE2 2.77Å; R193-E299 IonicContact NE-OE2 3.74Å; R193-E299 PolarHBondContact NE-OE2 2.81Å; R193-E299 IonicContact NH2-OE1 3.41Å; R193-E299 PolarHBondContact NH2-OE1 2.86Å; R193-E299 IonicContact NH2-OE2 3.67Å; R193-E299 PolarHBondContact NH2-OE2 3.47Å; I197-E299 HydrophobicContact CD1-CB 3.84Å; I197-E299 WeakPolarHBondContact CD1-OE2 3.49Å; I197-E299 HydrophobicContact CG1-CB 4.49Å; E295-E299 PolarHBondContact O-N 2.87Å; C296-E299 PolarHBondContact O-N 3.16Å; E299-Q301 VanDerWaalsContact C-N 3.31Å; E299-Q301 PolarHBondContact O-N 3.47Å; E299-D302 PolarHBondContact O-N 3.48Å; E299-T303 WeakPolarHBondContact O-CB 3.39Å; E299-T303 PolarHBondContact O-N 3.33Å; E299-T303 PolarHBondContact O-OG1 3.26Å |
| 300 | L | 89.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.4 | -41.6 | -174.1 | -178.6 | 64.4 | 0 | 0 | 0 | 112.8 | I197 L198 A201 W232 C296 T303 M304 | I197-L300 HydrophobicContact CG2-CB 4.43Å; I197-L300 HydrophobicContact CG2-CD1 4.24Å; L198-L300 HydrophobicContact CD2-CD1 3.81Å; A201-L300 HydrophobicContact CB-CD1 4Å; A201-L300 HydrophobicContact CB-CD2 4.33Å; W232-L300 HydrophobicContact CH2-CD1 4.37Å; C296-L300 VanDerWaalsContact O-CB 3.24Å; C296-L300 WeakPolarHBondContact O-CB 3.49Å; C296-L300 PolarHBondContact O-N 3.4Å; L300-T303 PolarHBondContact O-N 3.48Å; L300-M304 HydrophobicContact CD1-CE 3.9Å; L300-M304 VanDerWaalsContact O-CG 3.24Å; L300-M304 WeakPolarHBondContact O-CG 3.43Å; L300-M304 PolarHBondContact O-N 3.05Å |
| 301 | Q | 86.6 | Confident | 89.2 | Confident | 25 Ų | 25 | 55 Ų | 55 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.9 | -39.2 | -176.3 | -172.1 | 60.9 | 21.1 | 0 | 0 | 111.9 | T237 E299 T303 M304 L305 A882 | T237-Q301 PolarHBondContact OG1-NE2 3.48Å; T237-Q301 PolarHBondContact OG1-OE1 3.37Å; E299-Q301 VanDerWaalsContact C-N 3.31Å; E299-Q301 PolarHBondContact O-N 3.47Å; Q301-T303 VanDerWaalsContact C-N 3.34Å; Q301-M304 PolarHBondContact O-N 3.32Å; Q301-L305 PolarHBondContact O-N 3.25Å; Q301-A882 HydrophobicContact CG-CB 4.39Å |
| 302 | D | 87.5 | Confident | 89.2 | Confident | 108 Ų | 108 | 47.9 Ų | 47.9 | 58% | 0.578 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -68.3 | -37 | 175.9 | -66.4 | -18.9 | 0 | 0 | 0 | 111.1 | E299 L305 L306 | E299-D302 PolarHBondContact O-N 3.48Å; D302-L305 PolarHBondContact O-N 3.3Å; D302-L306 WeakPolarHBondContact O-CB 3.03Å; D302-L306 PolarHBondContact O-N 3.49Å |
| 303 | T | 91.9 | Very high | 88.8 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | A194 I197 L198 E299 L300 Q301 L305 L306 L307 | A194-T303 HydrophobicContact CB-CG2 3.59Å; I197-T303 WeakPolarHBondContact CD1-OG1 3.33Å; L198-T303 HydrophobicContact CD2-CG2 4.41Å; L198-T303 HydrophobicContact CG-CG2 4.41Å; E299-T303 WeakPolarHBondContact O-CB 3.39Å; E299-T303 PolarHBondContact O-N 3.33Å; E299-T303 PolarHBondContact O-OG1 3.26Å; L300-T303 PolarHBondContact O-N 3.48Å; Q301-T303 VanDerWaalsContact C-N 3.34Å; T303-L305 VanDerWaalsContact C-N 3.33Å; T303-L305 PolarHBondContact O-N 3.44Å; T303-L306 PolarHBondContact O-N 2.98Å; T303-L307 HydrophobicContact CG2-CD1 4.25Å; T303-L307 WeakPolarHBondContact O-CG 3.29Å; T303-L307 PolarHBondContact O-N 3.38Å |
| 304 | M | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.3 | -70.8 | -67 | -179.5 | 0 | 0 | 111.8 | L198 W232 M233 Q236 T237 M249 L300 Q301 L307 S308 | L198-M304 HydrophobicContact CD2-CE 3.46Å; L198-M304 VanDerWaalsContact CD2-CE 3.46Å; L198-M304 HydrophobicContact CD2-SD 4.25Å; W232-M304 HydrophobicContact CH2-CE 4.13Å; W232-M304 HydrophobicContact CZ3-CE 3.68Å; M233-M304 HydrophobicContact CE-SD 4.19Å; M233-M304 HydrophobicContact CG-CE 4.31Å; M233-M304 HydrophobicContact CG-SD 4.06Å; Q236-M304 HydrophobicContact CB-CE 4.19Å; T237-M304 HydrophobicContact CG2-CB 4.14Å; T237-M304 HydrophobicContact CG2-CG 4.04Å; T237-M304 HydrophobicContact CG2-SD 4.17Å; M249-M304 HydrophobicContact CE-SD 4.13Å; L300-M304 HydrophobicContact CD1-CE 3.9Å; L300-M304 VanDerWaalsContact O-CG 3.24Å; L300-M304 WeakPolarHBondContact O-CG 3.43Å; L300-M304 PolarHBondContact O-N 3.05Å; Q301-M304 PolarHBondContact O-N 3.32Å; M304-L307 PolarHBondContact O-N 2.87Å; M304-S308 WeakPolarHBondContact O-CB 3.43Å; M304-S308 PolarHBondContact O-N 3.12Å; M304-S308 PolarHBondContact O-OG 3.23Å |
| 305 | L | 87.6 | Confident | 88.9 | Confident | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 175.2 | -179.6 | 59.4 | 0 | 0 | 0 | 111 | Q301 D302 T303 L307 S308 Q309 D889 | Q301-L305 PolarHBondContact O-N 3.25Å; D302-L305 PolarHBondContact O-N 3.3Å; T303-L305 VanDerWaalsContact C-N 3.33Å; T303-L305 PolarHBondContact O-N 3.44Å; L305-L307 PolarHBondContact O-N 3.38Å; L305-S308 PolarHBondContact O-N 2.75Å; L305-S308 VanDerWaalsContact O-N 3.14Å; L305-S308 PolarHBondContact O-OG 3.14Å; L305-Q309 WeakPolarHBondContact O-CG 3.44Å; L305-Q309 PolarHBondContact O-N 3.25Å; L305-D889 HydrophobicContact CD1-CB 4.47Å |
| 306 | L | 90.5 | Very high | 88.9 | Confident | 53 Ų | 53 | 36.5 Ų | 36.5 | 28% | 0.277 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52.7 | -51.7 | 175.7 | 175.4 | 67.4 | 0 | 0 | 0 | 111.6 | D302 T303 S308 Q309 M310 | D302-L306 WeakPolarHBondContact O-CB 3.03Å; D302-L306 PolarHBondContact O-N 3.49Å; T303-L306 PolarHBondContact O-N 2.98Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.48Å; L306-Q309 WeakPolarHBondContact O-CB 3.49Å; L306-Q309 PolarHBondContact O-N 2.96Å; L306-M310 HydrophobicContact CD1-CG 4.44Å; L306-M310 HydrophobicContact CD1-SD 3.91Å; L306-M310 HydrophobicContact CG-SD 4.11Å; L306-M310 WeakPolarHBondContact O-CG 3.38Å; L306-M310 PolarHBondContact O-N 2.98Å; L306-M310 VanDerWaalsContact O-N 3.12Å |
| 307 | L | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -34.7 | -179.3 | -67.3 | 175.1 | 0 | 0 | 0 | 112.2 | A194 L198 M249 V252 L253 T303 M304 L305 Q309 M310 G311 | A194-L307 HydrophobicContact CB-CD2 4.5Å; L198-L307 HydrophobicContact CD1-CD1 3.65Å; L198-L307 HydrophobicContact CG-CD1 4.49Å; M249-L307 HydrophobicContact CB-CB 4.26Å; M249-L307 HydrophobicContact CE-CB 3.89Å; M249-L307 HydrophobicContact CG-CB 4.36Å; V252-L307 HydrophobicContact CB-CD2 4.13Å; V252-L307 HydrophobicContact CG1-CD2 3.93Å; L253-L307 HydrophobicContact CD1-CD1 3.85Å; L253-L307 HydrophobicContact CD1-CD2 3.5Å; L253-L307 VanDerWaalsContact CD1-CD2 3.5Å; L253-L307 HydrophobicContact CD1-CG 4.33Å; T303-L307 HydrophobicContact CG2-CD1 4.25Å; T303-L307 WeakPolarHBondContact O-CG 3.29Å; T303-L307 PolarHBondContact O-N 3.38Å; M304-L307 PolarHBondContact O-N 2.87Å; L305-L307 PolarHBondContact O-N 3.38Å; L307-Q309 VanDerWaalsContact C-N 3.27Å; L307-Q309 PolarHBondContact O-N 2.97Å; L307-M310 PolarHBondContact O-N 3.07Å; L307-G311 WeakPolarHBondContact O-CA 3.24Å; L307-G311 PolarHBondContact O-N 2.96Å |
| 308 | S | 90.6 | Very high | 88.8 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -27.2 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | M304 L305 L306 P312 | M304-S308 WeakPolarHBondContact O-CB 3.43Å; M304-S308 PolarHBondContact O-N 3.12Å; M304-S308 PolarHBondContact O-OG 3.23Å; L305-S308 PolarHBondContact O-N 2.75Å; L305-S308 VanDerWaalsContact O-N 3.14Å; L305-S308 PolarHBondContact O-OG 3.14Å; L306-S308 VanDerWaalsContact C-N 3.31Å; L306-S308 PolarHBondContact O-N 3.48Å; S308-P312 WeakPolarHBondContact O-CD 2.97Å |
| 309 | Q | 87.7 | Confident | 88.8 | Confident | 62 Ų | 62 | 29 Ų | 29 | 29% | 0.29 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -76.9 | -39.2 | 174.3 | -70.2 | 172.2 | -8.7 | 0 | 0 | 112.1 | L305 L306 L307 D889 R892 | L305-Q309 WeakPolarHBondContact O-CG 3.44Å; L305-Q309 PolarHBondContact O-N 3.25Å; L306-Q309 WeakPolarHBondContact O-CB 3.49Å; L306-Q309 PolarHBondContact O-N 2.96Å; L307-Q309 VanDerWaalsContact C-N 3.27Å; L307-Q309 PolarHBondContact O-N 2.97Å; Q309-D889 PolarHBondContact NE2-OD2 3.41Å; Q309-R892 PolarHBondContact O-NE 3.43Å |
| 310 | M | 89.3 | Confident | 88.7 | Confident | 61 Ų | 61 | 26.2 Ų | 26.2 | 30% | 0.3 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -83.3 | -27 | -179.1 | -62.5 | -177.7 | 70.2 | 0 | 0 | 113.8 | I191 V252 L306 L307 D313 A314 | I191-M310 HydrophobicContact CD1-CE 3.84Å; I191-M310 HydrophobicContact CG1-CE 4.27Å; V252-M310 HydrophobicContact CG1-CB 4.3Å; V252-M310 HydrophobicContact CG1-CE 4.08Å; V252-M310 HydrophobicContact CG1-SD 4.38Å; V252-M310 HydrophobicContact CG2-CB 3.87Å; L306-M310 HydrophobicContact CD1-CG 4.44Å; L306-M310 HydrophobicContact CD1-SD 3.91Å; L306-M310 HydrophobicContact CG-SD 4.11Å; L306-M310 WeakPolarHBondContact O-CG 3.38Å; L306-M310 PolarHBondContact O-N 2.98Å; L306-M310 VanDerWaalsContact O-N 3.12Å; L307-M310 PolarHBondContact O-N 3.07Å; M310-D313 PolarHBondContact O-N 3.33Å; M310-A314 PolarHBondContact O-N 3.27Å |
| 311 | G | 90.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56 | -45.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G248 L307 A314 H315 | G248-G311 CarbonylContact C-O 3.12Å; G248-G311 WeakPolarHBondContact CA-O 3.41Å; G248-G311 WeakPolarHBondContact O-CA 3.5Å; L307-G311 WeakPolarHBondContact O-CA 3.24Å; L307-G311 PolarHBondContact O-N 2.96Å; G311-A314 PolarHBondContact O-N 2.84Å; G311-H315 WeakPolarHBondContact O-CB 3.37Å; G311-H315 PolarHBondContact O-N 3.18Å |
| 312 | P | 89.4 | Confident | 88.3 | Confident | 13 Ų | 13 | 31 Ų | 31 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.8 | -29.7 | -174.5 | -12.4 | 26.8 | 0 | 0 | 0 | 113.3 | S308 H315 M316 E338 | S308-P312 WeakPolarHBondContact O-CD 2.97Å; P312-H315 WeakPolarHBondContact O-CB 3.39Å; P312-H315 PolarHBondContact O-N 3.38Å; P312-M316 PolarHBondContact O-N 2.61Å; P312-E338 VanDerWaalsContact CB-OE1 3.24Å; P312-E338 WeakPolarHBondContact CB-OE1 3.24Å |
| 313 | D | 83.1 | Confident | 88.1 | Confident | 60 Ų | 60 | 28.9 Ų | 28.9 | 32% | 0.321 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.5 | -42 | 171.9 | -67.1 | -50.9 | 0 | 0 | 0 | 111.1 | M310 H315 M316 R317 R892 | M310-D313 PolarHBondContact O-N 3.33Å; D313-H315 VanDerWaalsContact C-N 3.32Å; D313-M316 PolarHBondContact O-N 3.37Å; D313-R317 WeakPolarHBondContact O-CG 3.19Å; D313-R317 PolarHBondContact O-N 2.97Å; D313-R892 VanDerWaalsContact N-NH2 3.15Å; D313-R892 IonicContact OD1-NH2 3.6Å; D313-R892 PolarHBondContact OD1-NH2 3.02Å; D313-R892 VanDerWaalsContact OD1-NH2 3.14Å; D313-R892 IonicContact OD2-CZ 2.89Å; D313-R892 IonicContact OD2-NH2 3.25Å; D313-R892 PolarHBondContact OD2-NH2 3.34Å |
| 314 | A | 87.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q251 V252 E255 M310 G311 R317 M318 | Q251-A314 HydrophobicContact CG-CB 4.3Å; V252-A314 HydrophobicContact CG2-CB 3.7Å; E255-A314 VanDerWaalsContact OE1-CB 3.26Å; E255-A314 WeakPolarHBondContact OE1-CB 3.49Å; M310-A314 PolarHBondContact O-N 3.27Å; G311-A314 PolarHBondContact O-N 2.84Å; A314-R317 PolarHBondContact O-N 3.13Å; A314-M318 WeakPolarHBondContact O-CB 3.41Å; A314-M318 PolarHBondContact O-N 3.45Å |
| 315 | H | 90.1 | Very high | 87.5 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 175.5 | -152.2 | 151.4 | 0 | 0 | 0 | 111.4 | T244 G311 P312 D313 R317 M318 I319 I334 | T244-H315 VanDerWaalsContact CG2-CE1 3.47Å; T244-H315 WeakPolarHBondContact CG2-CE1 3.49Å; T244-H315 PolarHBondContact O-CE1 2.99Å; T244-H315 PolarHBondContact O-ND1 3.33Å; T244-H315 VanDerWaalsContact O-ND1 3.13Å; G311-H315 WeakPolarHBondContact O-CB 3.37Å; G311-H315 PolarHBondContact O-N 3.18Å; P312-H315 WeakPolarHBondContact O-CB 3.39Å; P312-H315 PolarHBondContact O-N 3.38Å; D313-H315 VanDerWaalsContact C-N 3.32Å; H315-R317 PolarHBondContact O-N 3.41Å; H315-M318 WeakPolarHBondContact CD2-CE 3.49Å; H315-M318 WeakPolarHBondContact NE2-CE 3.46Å; H315-M318 WeakPolarHBondContact O-CB 3.36Å; H315-M318 PolarHBondContact O-N 3.11Å; H315-I319 VanDerWaalsContact CD2-CD1 3.47Å; H315-I319 WeakPolarHBondContact CD2-CD1 3.48Å; H315-I319 WeakPolarHBondContact O-CG1 3.45Å; H315-I319 PolarHBondContact O-N 3.25Å; H315-I334 HydrophobicContact CB-CG2 4.49Å |
| 316 | M | 89.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 176.2 | 173.2 | -177 | 62.8 | 0 | 0 | 111.3 | P312 D313 M318 I319 L320 I335 E338 L339 I342 | P312-M316 PolarHBondContact O-N 2.61Å; D313-M316 PolarHBondContact O-N 3.37Å; M316-M318 VanDerWaalsContact C-N 3.32Å; M316-M318 PolarHBondContact O-N 3.43Å; M316-I319 PolarHBondContact O-N 3.42Å; M316-L320 HydrophobicContact CG-CD1 3.5Å; M316-L320 VanDerWaalsContact CG-CD1 3.5Å; M316-L320 HydrophobicContact CG-CG 3.96Å; M316-L320 WeakPolarHBondContact O-CB 3.46Å; M316-L320 VanDerWaalsContact O-CG 3.27Å; M316-L320 WeakPolarHBondContact O-CG 3.42Å; M316-L320 PolarHBondContact O-N 3.1Å; M316-L320 HydrophobicContact SD-CD1 4.04Å; M316-I335 HydrophobicContact CG-CG1 4.32Å; M316-E338 HydrophobicContact CB-CB 4.26Å; M316-E338 HydrophobicContact CB-CG 3.82Å; M316-E338 HydrophobicContact CE-CB 4.01Å; M316-E338 HydrophobicContact CG-CB 4.31Å; M316-E338 HydrophobicContact CG-CG 4.4Å; M316-E338 HydrophobicContact SD-CB 3.38Å; M316-E338 WeakPolarHBondContact SD-CB 3.49Å; M316-E338 HydrophobicContact SD-CG 4.06Å; M316-L339 HydrophobicContact SD-CD2 4.37Å; M316-I342 HydrophobicContact CE-CD1 4.5Å |
| 317 | R | 86.3 | Confident | 87.6 | Confident | 42 Ų | 42 | 38 Ų | 38 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 176.4 | -75.1 | -170 | -66.3 | -85 | 4.5 | 112.4 | E255 D313 A314 H315 I319 L320 R321 F362 | E255-R317 IonicContact OE1-CZ 3.95Å; E255-R317 IonicContact OE1-NE 3.93Å; E255-R317 IonicContact OE1-NH2 3.68Å; E255-R317 PolarHBondContact OE1-NH2 3.48Å; E255-R317 IonicContact OE2-CZ 2.85Å; E255-R317 IonicContact OE2-NE 3.07Å; E255-R317 PolarHBondContact OE2-NE 3.06Å; E255-R317 IonicContact OE2-NH2 2.86Å; E255-R317 PolarHBondContact OE2-NH2 3.28Å; D313-R317 WeakPolarHBondContact O-CG 3.19Å; D313-R317 PolarHBondContact O-N 2.97Å; A314-R317 PolarHBondContact O-N 3.13Å; H315-R317 PolarHBondContact O-N 3.41Å; R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 PolarHBondContact O-N 2.91Å; R317-L320 PolarHBondContact O-N 3.48Å; R317-R321 WeakPolarHBondContact O-CG 3.48Å; R317-R321 PolarHBondContact O-N 3.48Å; R317-F362 HydrophobicContact CB-CE2 4.4Å; R317-F362 HydrophobicContact CG-CD2 4.07Å; R317-F362 HydrophobicContact CG-CE2 3.65Å; R317-F362 HydrophobicContact CG-CZ 4.19Å |
| 318 | M | 87.4 | Confident | 87.5 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 176.3 | 177.7 | -173.8 | 80.3 | 0 | 0 | 111.4 | V247 Q251 H267 A314 H315 M316 | V247-M318 HydrophobicContact CG1-CE 4.18Å; Q251-M318 HydrophobicContact CG-CB 4.1Å; Q251-M318 HydrophobicContact CG-SD 4Å; H267-M318 HydrophobicContact CB-CG 3.71Å; H267-M318 HydrophobicContact CB-SD 3.57Å; H267-M318 VanDerWaalsContact CB-SD 3.57Å; A314-M318 WeakPolarHBondContact O-CB 3.41Å; A314-M318 PolarHBondContact O-N 3.45Å; H315-M318 WeakPolarHBondContact CD2-CE 3.49Å; H315-M318 WeakPolarHBondContact NE2-CE 3.46Å; H315-M318 WeakPolarHBondContact O-CB 3.36Å; H315-M318 PolarHBondContact O-N 3.11Å; M316-M318 VanDerWaalsContact C-N 3.32Å; M316-M318 PolarHBondContact O-N 3.43Å |
| 319 | I | 86.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.4 | -41.6 | -179.1 | -64.1 | 168.3 | 0 | 0 | 0 | 111.4 | H315 M316 R317 R321 K322 D331 I334 I335 | H315-I319 VanDerWaalsContact CD2-CD1 3.47Å; H315-I319 WeakPolarHBondContact CD2-CD1 3.48Å; H315-I319 WeakPolarHBondContact O-CG1 3.45Å; H315-I319 PolarHBondContact O-N 3.25Å; M316-I319 PolarHBondContact O-N 3.42Å; R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 PolarHBondContact O-N 2.91Å; I319-R321 PolarHBondContact O-N 3.07Å; I319-R321 VanDerWaalsContact O-N 3.14Å; I319-K322 HydrophobicContact CG2-CD 4.46Å; I319-K322 WeakPolarHBondContact O-CB 3.39Å; I319-K322 WeakPolarHBondContact O-CG 3.49Å; I319-K322 PolarHBondContact O-N 3.48Å; I319-D331 HydrophobicContact CG2-CB 3.44Å; I319-D331 VanDerWaalsContact CG2-CB 3.44Å; I319-I334 HydrophobicContact CD1-CB 3.78Å; I319-I334 HydrophobicContact CD1-CD1 3.66Å; I319-I334 HydrophobicContact CD1-CG1 4.33Å; I319-I334 HydrophobicContact CD1-CG2 3.6Å; I319-I335 HydrophobicContact CB-CG1 4.48Å; I319-I335 HydrophobicContact CG2-CD1 3.69Å; I319-I335 HydrophobicContact CG2-CG1 4.05Å |
| 320 | L | 87.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -15.6 | -177.9 | -73.6 | 172.5 | 0 | 0 | 0 | 114 | M316 R317 K322 R327 I335 L360 F362 L434 | M316-L320 HydrophobicContact CG-CD1 3.5Å; M316-L320 VanDerWaalsContact CG-CD1 3.5Å; M316-L320 HydrophobicContact CG-CG 3.96Å; M316-L320 WeakPolarHBondContact O-CB 3.46Å; M316-L320 VanDerWaalsContact O-CG 3.27Å; M316-L320 WeakPolarHBondContact O-CG 3.42Å; M316-L320 PolarHBondContact O-N 3.1Å; M316-L320 HydrophobicContact SD-CD1 4.04Å; R317-L320 PolarHBondContact O-N 3.48Å; L320-K322 PolarHBondContact O-N 3.28Å; L320-R327 PolarHBondContact O-NH2 2.82Å; L320-I335 HydrophobicContact CD2-CD1 3.65Å; L320-I335 HydrophobicContact CD2-CG1 4.03Å; L320-I335 HydrophobicContact CD2-CG2 4.1Å; L320-I335 HydrophobicContact CG-CD1 4.2Å; L320-I335 HydrophobicContact CG-CG1 4.21Å; L320-L360 HydrophobicContact CD2-CB 4.06Å; L320-L360 WeakPolarHBondContact CD2-O 3.28Å; L320-F362 HydrophobicContact CB-CB 3.58Å; L320-F362 HydrophobicContact CD1-CB 4.32Å; L320-L434 HydrophobicContact CD1-CD2 3.41Å; L320-L434 VanDerWaalsContact CD1-CD2 3.41Å |
| 321 | R | 84.3 | Confident | 87.1 | Confident | 56 Ų | 56 | 46 Ų | 46 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.9 | 168.3 | -70.8 | 177 | -174.7 | -159.8 | 4.6 | 112.8 | P179 N181 I183 H267 R317 I319 F362 | P179-R321 PolarHBondContact O-NH1 3.3Å; N181-R321 PolarHBondContact O-NH1 2.91Å; I183-R321 VanDerWaalsContact CD1-NH2 3.31Å; H267-R321 PolarHBondContact CE1-NH1 3.38Å; R317-R321 WeakPolarHBondContact O-CG 3.48Å; R317-R321 PolarHBondContact O-N 3.48Å; I319-R321 PolarHBondContact O-N 3.07Å; I319-R321 VanDerWaalsContact O-N 3.14Å; R321-F362 HydrophobicContact CG-CD1 4.36Å |
| 322 | K | 84.5 | Confident | 87.1 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -71.1 | 138 | 171.3 | -61.3 | 172.9 | 179.4 | 173.2 | 0 | 109.8 | I319 L320 R327 D331 | I319-K322 HydrophobicContact CG2-CD 4.46Å; I319-K322 WeakPolarHBondContact O-CB 3.39Å; I319-K322 WeakPolarHBondContact O-CG 3.49Å; I319-K322 PolarHBondContact O-N 3.48Å; L320-K322 PolarHBondContact O-N 3.28Å; K322-R327 HydrophobicContact CB-CG 4.26Å; K322-R327 PolarHBondContact O-NE 3.26Å; K322-R327 PolarHBondContact O-NH2 3.27Å; K322-D331 WeakPolarHBondContact CD-OD2 3.27Å; K322-D331 IonicContact NZ-OD1 3.81Å; K322-D331 PolarHBondContact NZ-OD1 2.79Å; K322-D331 IonicContact NZ-OD2 3.21Å; K322-D331 PolarHBondContact NZ-OD2 3.04Å |
| 323 | P | 83.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | trans | -55.2 | 144.3 | 170.5 | -24.2 | 33.5 | 0 | 0 | 0 | 111.6 | G325 Q326 | P323-G325 VanDerWaalsContact C-N 3.32Å; P323-G325 PolarHBondContact O-N 2.95Å; P323-G325 VanDerWaalsContact O-N 3.17Å; P323-Q326 HydrophobicContact CB-CG 4.37Å; P323-Q326 PolarHBondContact O-N 2.81Å | ||
| 324 | P | 85.4 | Confident | 87.1 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -40.6 | -52 | 177.9 | -38.2 | 40.7 | 0 | 0 | 0 | 115.1 | Q326 R327 G358 | P324-Q326 PolarHBondContact O-N 3.39Å; P324-R327 PolarHBondContact O-N 3.23Å; P324-G358 WeakPolarHBondContact CA-O 3.37Å; P324-G358 WeakPolarHBondContact CB-O 3.42Å |
| 325 | G | 84.5 | Confident | 87.1 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 85% | 0.845 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -72.5 | -3.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P323 | P323-G325 VanDerWaalsContact C-N 3.32Å; P323-G325 PolarHBondContact O-N 2.95Å; P323-G325 VanDerWaalsContact O-N 3.17Å |
| 326 | Q | 88.6 | Confident | 87 | Confident | 139 Ų | 139 | 53.3 Ų | 53.3 | 65% | 0.65 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -108.3 | 2.8 | -179.5 | -64.4 | -177.5 | 2.6 | 0 | 0 | 113.3 | P323 P324 | P323-Q326 HydrophobicContact CB-CG 4.37Å; P323-Q326 PolarHBondContact O-N 2.81Å; P324-Q326 PolarHBondContact O-N 3.39Å |
| 327 | R | 90.3 | Very high | 86.9 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | trans | -77 | 132.6 | 179.4 | -65.3 | 174.8 | -174.3 | 169.6 | 5.7 | 110.4 | L320 K322 P324 D331 L332 A357 L360 | L320-R327 PolarHBondContact O-NH2 2.82Å; K322-R327 HydrophobicContact CB-CG 4.26Å; K322-R327 PolarHBondContact O-NE 3.26Å; K322-R327 PolarHBondContact O-NH2 3.27Å; P324-R327 PolarHBondContact O-N 3.23Å; R327-D331 HydrophobicContact CB-CB 4.03Å; R327-L332 HydrophobicContact CB-CD2 3.96Å; R327-L332 HydrophobicContact CB-CG 4.32Å; R327-A357 PolarHBondContact NH1-O 3.34Å; R327-L360 PolarHBondContact NH1-O 3.25Å; R327-L360 PolarHBondContact NH2-O 3.19Å | ||
| 328 | T | 90.7 | Very high | 86.9 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | trans | -77 | 170.7 | 173.7 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | D330 D331 L332 | T328-D330 VanDerWaalsContact C-N 3.29Å; T328-D330 PolarHBondContact O-N 3.22Å; T328-D331 PolarHBondContact N-OD2 3.34Å; T328-D331 WeakPolarHBondContact O-CB 3.39Å; T328-D331 PolarHBondContact O-N 2.78Å; T328-D331 PolarHBondContact OG1-N 3.07Å; T328-D331 VanDerWaalsContact OG1-N 3.14Å; T328-D331 PolarHBondContact OG1-OD2 2.83Å; T328-L332 WeakPolarHBondContact O-CG 3.31Å; T328-L332 PolarHBondContact O-N 3.02Å; T328-L332 VanDerWaalsContact O-N 3.13Å | ||
| 329 | V | 86.6 | Confident | 86.9 | Confident | 115 Ų | 115 | 53.1 Ų | 53.1 | 70% | 0.697 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | 175 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | D331 L332 E333 | V329-D331 VanDerWaalsContact C-N 3.33Å; V329-D331 PolarHBondContact O-N 3.45Å; V329-L332 PolarHBondContact O-N 3.39Å; V329-E333 PolarHBondContact O-N 3Å; V329-E333 VanDerWaalsContact O-N 3.09Å |
| 330 | D | 86.4 | Confident | 86.7 | Confident | 111 Ų | 111 | 56.9 Ų | 56.9 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 176.9 | -59.2 | -14.4 | 0 | 0 | 0 | 111.6 | T328 L332 E333 I334 | T328-D330 VanDerWaalsContact C-N 3.29Å; T328-D330 PolarHBondContact O-N 3.22Å; D330-L332 VanDerWaalsContact C-N 3.33Å; D330-L332 PolarHBondContact O-N 3.05Å; D330-E333 PolarHBondContact O-N 3.36Å; D330-I334 VanDerWaalsContact O-CG1 3.32Å; D330-I334 WeakPolarHBondContact O-CG1 3.26Å; D330-I334 PolarHBondContact O-N 3.02Å |
| 331 | D | 87.6 | Confident | 86.6 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.2 | -73.3 | -32.7 | 0 | 0 | 0 | 111 | I319 K322 R327 T328 V329 I334 I335 | I319-D331 HydrophobicContact CG2-CB 3.44Å; I319-D331 VanDerWaalsContact CG2-CB 3.44Å; K322-D331 WeakPolarHBondContact CD-OD2 3.27Å; K322-D331 IonicContact NZ-OD1 3.81Å; K322-D331 PolarHBondContact NZ-OD1 2.79Å; K322-D331 IonicContact NZ-OD2 3.21Å; K322-D331 PolarHBondContact NZ-OD2 3.04Å; R327-D331 HydrophobicContact CB-CB 4.03Å; T328-D331 PolarHBondContact N-OD2 3.34Å; T328-D331 WeakPolarHBondContact O-CB 3.39Å; T328-D331 PolarHBondContact O-N 2.78Å; T328-D331 PolarHBondContact OG1-N 3.07Å; T328-D331 VanDerWaalsContact OG1-N 3.14Å; T328-D331 PolarHBondContact OG1-OD2 2.83Å; V329-D331 VanDerWaalsContact C-N 3.33Å; V329-D331 PolarHBondContact O-N 3.45Å; D331-I334 PolarHBondContact O-N 3.45Å; D331-I335 VanDerWaalsContact O-CG1 3.31Å; D331-I335 WeakPolarHBondContact O-CG1 3.34Å; D331-I335 PolarHBondContact O-N 3.35Å |
| 332 | L | 88.7 | Confident | 86.6 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | -179.8 | -63.1 | 175.4 | 0 | 0 | 0 | 112 | R327 T328 V329 D330 Y336 A357 | R327-L332 HydrophobicContact CB-CD2 3.96Å; R327-L332 HydrophobicContact CB-CG 4.32Å; T328-L332 WeakPolarHBondContact O-CG 3.31Å; T328-L332 PolarHBondContact O-N 3.02Å; T328-L332 VanDerWaalsContact O-N 3.13Å; V329-L332 PolarHBondContact O-N 3.39Å; D330-L332 VanDerWaalsContact C-N 3.33Å; D330-L332 PolarHBondContact O-N 3.05Å; L332-Y336 VanDerWaalsContact O-CB 3.23Å; L332-Y336 WeakPolarHBondContact O-CB 3.3Å; L332-Y336 PolarHBondContact O-N 3.3Å; L332-A357 HydrophobicContact CD2-CB 4.46Å; L332-A357 WeakPolarHBondContact CD2-O 3.3Å |
| 333 | E | 87.1 | Confident | 86.3 | Confident | 117 Ų | 117 | 60.9 Ų | 60.9 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 176.9 | -172.3 | 165 | -154 | 0 | 0 | 111.4 | V329 D330 I335 Y336 E337 | V329-E333 PolarHBondContact O-N 3Å; V329-E333 VanDerWaalsContact O-N 3.09Å; D330-E333 PolarHBondContact O-N 3.36Å; E333-I335 PolarHBondContact O-N 2.86Å; E333-Y336 PolarHBondContact O-N 3.28Å; E333-E337 WeakPolarHBondContact O-CG 3.37Å; E333-E337 PolarHBondContact O-N 3Å |
| 334 | I | 86.4 | Confident | 86 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.8 | -65.9 | 164.6 | 0 | 0 | 0 | 110.8 | T244 H315 I319 D330 D331 E337 E338 | T244-I334 HydrophobicContact CG2-CD1 3.67Å; T244-I334 HydrophobicContact CG2-CG1 4.41Å; H315-I334 HydrophobicContact CB-CG2 4.49Å; I319-I334 HydrophobicContact CD1-CB 3.78Å; I319-I334 HydrophobicContact CD1-CD1 3.66Å; I319-I334 HydrophobicContact CD1-CG1 4.33Å; I319-I334 HydrophobicContact CD1-CG2 3.6Å; D330-I334 VanDerWaalsContact O-CG1 3.32Å; D330-I334 WeakPolarHBondContact O-CG1 3.26Å; D330-I334 PolarHBondContact O-N 3.02Å; D331-I334 PolarHBondContact O-N 3.45Å; I334-E337 PolarHBondContact O-N 2.92Å; I334-E338 PolarHBondContact O-N 3Å |
| 335 | I | 87.5 | Confident | 86 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 176.7 | -65.6 | 162.4 | 0 | 0 | 0 | 109.7 | M316 I319 L320 D331 E333 E337 E338 L339 A357 | M316-I335 HydrophobicContact CG-CG1 4.32Å; I319-I335 HydrophobicContact CB-CG1 4.48Å; I319-I335 HydrophobicContact CG2-CD1 3.69Å; I319-I335 HydrophobicContact CG2-CG1 4.05Å; L320-I335 HydrophobicContact CD2-CD1 3.65Å; L320-I335 HydrophobicContact CD2-CG1 4.03Å; L320-I335 HydrophobicContact CD2-CG2 4.1Å; L320-I335 HydrophobicContact CG-CD1 4.2Å; L320-I335 HydrophobicContact CG-CG1 4.21Å; D331-I335 VanDerWaalsContact O-CG1 3.31Å; D331-I335 WeakPolarHBondContact O-CG1 3.34Å; D331-I335 PolarHBondContact O-N 3.35Å; E333-I335 PolarHBondContact O-N 2.86Å; I335-E337 VanDerWaalsContact C-N 3.32Å; I335-E337 PolarHBondContact O-N 2.79Å; I335-E338 WeakPolarHBondContact O-CB 3.26Å; I335-E338 PolarHBondContact O-N 3.26Å; I335-L339 HydrophobicContact CG2-CD1 4.23Å; I335-L339 HydrophobicContact CG2-CD2 4.14Å; I335-L339 HydrophobicContact CG2-CG 4.09Å; I335-L339 WeakPolarHBondContact O-CG 3.29Å; I335-L339 PolarHBondContact O-N 2.88Å; I335-A357 HydrophobicContact CB-CB 4Å; I335-A357 HydrophobicContact CG2-CB 3.74Å |
| 336 | Y | 88.8 | Confident | 85.6 | Confident | 39 Ų | 39 | 55 Ų | 55 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.3 | -42.7 | -178.6 | 167.6 | -98 | 0 | 0 | 0 | 112.9 | L332 E333 E338 L339 L340 T350 K353 R354 | L332-Y336 VanDerWaalsContact O-CB 3.23Å; L332-Y336 WeakPolarHBondContact O-CB 3.3Å; L332-Y336 PolarHBondContact O-N 3.3Å; E333-Y336 PolarHBondContact O-N 3.28Å; Y336-E338 PolarHBondContact O-N 2.94Å; Y336-L339 PolarHBondContact O-N 2.96Å; Y336-L340 HydrophobicContact CE1-CD1 4.11Å; Y336-L340 HydrophobicContact CE2-CD2 4.27Å; Y336-L340 PolarHBondContact O-N 3.36Å; Y336-T350 HydrophobicContact CE2-CG2 4.18Å; Y336-T350 VanDerWaalsContact OH-CG2 3.3Å; Y336-T350 WeakPolarHBondContact OH-CG2 3.32Å; Y336-K353 HydrophobicContact CD2-CB 4.07Å; Y336-K353 HydrophobicContact CE2-CB 3.93Å; Y336-R354 HydrophobicContact CD2-CB 4.4Å; Y336-R354 HydrophobicContact CD2-CG 3.5Å; Y336-R354 HydrophobicContact CE2-CG 3.59Å; Y336-R354 HydrophobicContact CG-CG 4.17Å |
| 337 | E | 85.5 | Confident | 84.9 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.5 | -40 | 176 | -76 | -168.4 | 175.6 | 0 | 0 | 112 | E333 I334 I335 L340 H341 R895 | E333-E337 WeakPolarHBondContact O-CG 3.37Å; E333-E337 PolarHBondContact O-N 3Å; I334-E337 PolarHBondContact O-N 2.92Å; I335-E337 VanDerWaalsContact C-N 3.32Å; I335-E337 PolarHBondContact O-N 2.79Å; E337-L340 WeakPolarHBondContact O-CB 3.4Å; E337-L340 PolarHBondContact O-N 3.15Å; E337-H341 PolarHBondContact O-CD2 3.28Å; E337-R895 IonicContact OE2-CZ 3.01Å; E337-R895 IonicContact OE2-NH1 2.9Å; E337-R895 PolarHBondContact OE2-NH1 3Å; E337-R895 IonicContact OE2-NH2 2.89Å; E337-R895 PolarHBondContact OE2-NH2 3Å |
| 338 | E | 88.1 | Confident | 84.4 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74 | -35 | 178.8 | -62 | -55.2 | 109.5 | 0 | 0 | 112.8 | P312 M316 I334 I335 Y336 L340 H341 R892 | P312-E338 VanDerWaalsContact CB-OE1 3.24Å; P312-E338 WeakPolarHBondContact CB-OE1 3.24Å; M316-E338 HydrophobicContact CB-CB 4.26Å; M316-E338 HydrophobicContact CB-CG 3.82Å; M316-E338 HydrophobicContact CE-CB 4.01Å; M316-E338 HydrophobicContact CG-CB 4.31Å; M316-E338 HydrophobicContact CG-CG 4.4Å; M316-E338 HydrophobicContact SD-CB 3.38Å; M316-E338 WeakPolarHBondContact SD-CB 3.49Å; M316-E338 HydrophobicContact SD-CG 4.06Å; I334-E338 PolarHBondContact O-N 3Å; I335-E338 WeakPolarHBondContact O-CB 3.26Å; I335-E338 PolarHBondContact O-N 3.26Å; Y336-E338 PolarHBondContact O-N 2.94Å; E338-L340 PolarHBondContact O-N 3.24Å; E338-L340 VanDerWaalsContact O-N 3.14Å; E338-H341 WeakPolarHBondContact O-CB 3.39Å; E338-H341 PolarHBondContact O-N 3.34Å; E338-R892 IonicContact OE1-CZ 3.75Å; E338-R892 IonicContact OE1-NH1 3.56Å; E338-R892 PolarHBondContact OE1-NH1 2.89Å; E338-R892 IonicContact OE2-CZ 3.67Å; E338-R892 IonicContact OE2-NH1 2.71Å; E338-R892 PolarHBondContact OE2-NH1 3.37Å; E338-R892 IonicContact OE2-NH2 3.83Å; E338-R892 PolarHBondContact OE2-NH2 3.49Å |
| 339 | L | 87.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -25.6 | 176.7 | -58.1 | -171.8 | 0 | 0 | 0 | 112.6 | M316 I335 Y336 H341 I342 L345 K353 L356 A357 L360 L434 | M316-L339 HydrophobicContact SD-CD2 4.37Å; I335-L339 HydrophobicContact CG2-CD1 4.23Å; I335-L339 HydrophobicContact CG2-CD2 4.14Å; I335-L339 HydrophobicContact CG2-CG 4.09Å; I335-L339 WeakPolarHBondContact O-CG 3.29Å; I335-L339 PolarHBondContact O-N 2.88Å; Y336-L339 PolarHBondContact O-N 2.96Å; L339-H341 PolarHBondContact O-N 2.9Å; L339-I342 HydrophobicContact CD2-CD1 3.83Å; L339-I342 PolarHBondContact O-N 3.07Å; L339-L345 HydrophobicContact CB-CD1 3.87Å; L339-L345 HydrophobicContact CD1-CD1 4.31Å; L339-L345 HydrophobicContact CD2-CD1 3.7Å; L339-L345 HydrophobicContact CG-CD1 4.13Å; L339-K353 VanDerWaalsContact CD1-O 3.3Å; L339-K353 WeakPolarHBondContact CD1-O 3.36Å; L339-L356 HydrophobicContact CD1-CB 4.06Å; L339-A357 HydrophobicContact CD1-CB 4.24Å; L339-L360 HydrophobicContact CD1-CD1 3.59Å; L339-L360 HydrophobicContact CD2-CD1 3.48Å; L339-L360 VanDerWaalsContact CD2-CD1 3.48Å; L339-L360 HydrophobicContact CG-CD1 4.17Å; L339-L434 HydrophobicContact CD2-CD1 4.39Å |
| 340 | L | 82.2 | Confident | 83.4 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20 | 174.3 | -62 | 175.6 | 0 | 0 | 0 | 113 | Y336 E337 E338 K353 | Y336-L340 HydrophobicContact CE1-CD1 4.11Å; Y336-L340 HydrophobicContact CE2-CD2 4.27Å; Y336-L340 PolarHBondContact O-N 3.36Å; E337-L340 WeakPolarHBondContact O-CB 3.4Å; E337-L340 PolarHBondContact O-N 3.15Å; E338-L340 PolarHBondContact O-N 3.24Å; E338-L340 VanDerWaalsContact O-N 3.14Å; L340-K353 HydrophobicContact CD2-CD 4.07Å |
| 341 | H | 84.6 | Confident | 83 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -8.5 | -178.4 | -58.6 | -53 | 0 | 0 | 0 | 113.3 | E337 E338 L339 K343 R892 | E337-H341 PolarHBondContact O-CD2 3.28Å; E338-H341 WeakPolarHBondContact O-CB 3.39Å; E338-H341 PolarHBondContact O-N 3.34Å; L339-H341 PolarHBondContact O-N 2.9Å; H341-K343 PolarHBondContact O-N 2.82Å; H341-R892 VanDerWaalsContact CE1-C 3.5Å; H341-R892 PolarHBondContact CE1-O 3.26Å |
| 342 | I | 84.2 | Confident | 82.8 | Confident | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | trans | -84.4 | 112.9 | 178.1 | -58.4 | -180 | 0 | 0 | 0 | 109.8 | M316 L339 A344 L345 S346 I384 L386 L434 | M316-I342 HydrophobicContact CE-CD1 4.5Å; L339-I342 HydrophobicContact CD2-CD1 3.83Å; L339-I342 PolarHBondContact O-N 3.07Å; I342-A344 VanDerWaalsContact C-N 3.33Å; I342-A344 HydrophobicContact CG2-CB 4.26Å; I342-A344 PolarHBondContact O-N 3.24Å; I342-L345 HydrophobicContact CB-CB 4.47Å; I342-L345 HydrophobicContact CB-CD1 4.1Å; I342-L345 HydrophobicContact CB-CG 4.17Å; I342-L345 HydrophobicContact CD1-CD1 4.22Å; I342-L345 HydrophobicContact CG2-CD1 4.22Å; I342-L345 HydrophobicContact CG2-CG 3.96Å; I342-L345 PolarHBondContact O-N 3.25Å; I342-S346 PolarHBondContact O-N 2.97Å; I342-I384 HydrophobicContact CG2-CG2 4.13Å; I342-L386 HydrophobicContact CD1-CD2 4.18Å; I342-L434 HydrophobicContact CD1-CD1 3.51Å | ||
| 343 | K | 78.3 | Confident | 82.6 | Confident | 126 Ų | 126 | 43.1 Ų | 43.1 | 55% | 0.548 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -56.9 | -40.9 | -176.5 | -71.6 | 177.8 | -177.1 | 164.8 | 0 | 113.5 | I97 H341 L345 S346 | I97-K343 HydrophobicContact CD1-CD 4.27Å; H341-K343 PolarHBondContact O-N 2.82Å; K343-L345 PolarHBondContact O-N 3.47Å; K343-L345 VanDerWaalsContact O-N 3.11Å; K343-S346 VanDerWaalsContact O-CB 3.29Å; K343-S346 WeakPolarHBondContact O-CB 3.37Å; K343-S346 PolarHBondContact O-N 3.06Å; K343-S346 PolarHBondContact O-OG 3.05Å |
| 344 | A | 78 | Confident | 82.6 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -56.8 | -27.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I342 H347 I384 D408 | I342-A344 VanDerWaalsContact C-N 3.33Å; I342-A344 HydrophobicContact CG2-CB 4.26Å; I342-A344 PolarHBondContact O-N 3.24Å; A344-H347 PolarHBondContact O-CE1 3.09Å; A344-H347 PolarHBondContact O-ND1 3.41Å; A344-I384 HydrophobicContact CB-CD1 4.15Å; A344-I384 HydrophobicContact CB-CG1 4.21Å; A344-I384 HydrophobicContact CB-CG2 3.89Å; A344-D408 HydrophobicContact CB-CB 4.1Å |
| 345 | L | 83.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -95.2 | -6 | -179.1 | -55.4 | -178.2 | 0 | 0 | 0 | 113.3 | L339 I342 K343 H347 L348 K353 L356 W382 I384 | L339-L345 HydrophobicContact CB-CD1 3.87Å; L339-L345 HydrophobicContact CD1-CD1 4.31Å; L339-L345 HydrophobicContact CD2-CD1 3.7Å; L339-L345 HydrophobicContact CG-CD1 4.13Å; I342-L345 HydrophobicContact CB-CB 4.47Å; I342-L345 HydrophobicContact CB-CD1 4.1Å; I342-L345 HydrophobicContact CB-CG 4.17Å; I342-L345 HydrophobicContact CD1-CD1 4.22Å; I342-L345 HydrophobicContact CG2-CD1 4.22Å; I342-L345 HydrophobicContact CG2-CG 3.96Å; I342-L345 PolarHBondContact O-N 3.25Å; K343-L345 PolarHBondContact O-N 3.47Å; K343-L345 VanDerWaalsContact O-N 3.11Å; L345-H347 VanDerWaalsContact C-N 3.27Å; L345-H347 PolarHBondContact O-N 2.94Å; L345-H347 VanDerWaalsContact O-N 3.16Å; L345-L348 HydrophobicContact CB-CD1 4.35Å; L345-L348 HydrophobicContact CD2-CD1 3.7Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 3.48Å; L345-K353 WeakPolarHBondContact O-CE 3.47Å; L345-K353 PolarHBondContact O-NZ 2.92Å; L345-L356 HydrophobicContact CD2-CD1 4.06Å; L345-W382 HydrophobicContact CD2-CH2 3.55Å; L345-W382 HydrophobicContact CD2-CZ2 4.47Å; L345-W382 HydrophobicContact CD2-CZ3 4.15Å; L345-I384 HydrophobicContact CD1-CD1 4.44Å; L345-I384 HydrophobicContact CD2-CD1 3.43Å; L345-I384 VanDerWaalsContact CD2-CD1 3.43Å; L345-I384 HydrophobicContact CG-CD1 3.95Å |
| 346 | S | 77.1 | Confident | 82.6 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 44% | 0.441 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -43.4 | -170 | 64.8 | 0 | 0 | 0 | 0 | 113 | I342 K343 L348 K353 | I342-S346 PolarHBondContact O-N 2.97Å; K343-S346 VanDerWaalsContact O-CB 3.29Å; K343-S346 WeakPolarHBondContact O-CB 3.37Å; K343-S346 PolarHBondContact O-N 3.06Å; K343-S346 PolarHBondContact O-OG 3.05Å; S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.08Å; S346-K353 PolarHBondContact O-NZ 2.96Å |
| 347 | H | 74.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 44.7 Ų | 44.7 | 38% | 0.375 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.8 | -178.5 | 71 | -79.4 | 0 | 0 | 0 | 115.2 | R118 A344 L345 | R118-H347 PolarHBondContact NH2-CD2 2.9Å; R118-H347 PolarHBondContact NH2-CE1 2.69Å; R118-H347 PolarHBondContact NH2-ND1 2.76Å; R118-H347 PolarHBondContact NH2-NE2 2.91Å; A344-H347 PolarHBondContact O-CE1 3.09Å; A344-H347 PolarHBondContact O-ND1 3.41Å; L345-H347 VanDerWaalsContact C-N 3.27Å; L345-H347 PolarHBondContact O-N 2.94Å; L345-H347 VanDerWaalsContact O-N 3.16Å |
| 348 | L | 79.3 | Confident | 82.8 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 18% | 0.183 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -82.5 | 146.7 | 178.9 | -56.5 | 179.9 | 0 | 0 | 0 | 110.9 | L345 S346 V352 K353 L356 W382 | L345-L348 HydrophobicContact CB-CD1 4.35Å; L345-L348 HydrophobicContact CD2-CD1 3.7Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 3.48Å; S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.08Å; L348-V352 HydrophobicContact CB-CB 4.33Å; L348-V352 HydrophobicContact CB-CG1 4.07Å; L348-V352 HydrophobicContact CD1-CG1 3.94Å; L348-V352 HydrophobicContact CD2-CG1 4.41Å; L348-V352 HydrophobicContact CG-CG1 4.38Å; L348-K353 HydrophobicContact CB-CG 4.25Å; L348-K353 WeakPolarHBondContact O-CE 3.39Å; L348-K353 PolarHBondContact O-NZ 3.18Å; L348-L356 HydrophobicContact CD1-CD1 3.55Å; L348-W382 HydrophobicContact CD1-CH2 4.38Å |
| 349 | S | 77.4 | Confident | 82.9 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | trans | -64.9 | 160.5 | 176.7 | 73.7 | 0 | 0 | 0 | 0 | 111.7 | T351 V352 K353 | S349-T351 VanDerWaalsContact C-N 3.27Å; S349-T351 PolarHBondContact O-N 3.35Å; S349-V352 PolarHBondContact O-N 3.04Å; S349-V352 WeakPolarHBondContact OG-CG2 3.29Å; S349-V352 PolarHBondContact OG-N 3.44Å; S349-K353 WeakPolarHBondContact O-CG 3.44Å; S349-K353 PolarHBondContact O-N 3.12Å | ||
| 350 | T | 78.4 | Confident | 83 | Confident | 57 Ų | 57 | 42.9 Ų | 42.9 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59 | -40 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | Y336 K353 R354 | Y336-T350 HydrophobicContact CE2-CG2 4.18Å; Y336-T350 VanDerWaalsContact OH-CG2 3.3Å; Y336-T350 WeakPolarHBondContact OH-CG2 3.32Å; T350-K353 PolarHBondContact O-N 3.15Å; T350-R354 WeakPolarHBondContact O-CG 3.36Å; T350-R354 PolarHBondContact O-N 3.11Å |
| 351 | T | 77.8 | Confident | 83.3 | Confident | 27 Ų | 27 | 41 Ų | 41 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -49.4 | 176.9 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | S349 K353 R354 E355 E466 | S349-T351 VanDerWaalsContact C-N 3.27Å; S349-T351 PolarHBondContact O-N 3.35Å; T351-K353 VanDerWaalsContact C-N 3.33Å; T351-K353 PolarHBondContact O-N 3.01Å; T351-R354 PolarHBondContact O-N 3.27Å; T351-R354 VanDerWaalsContact O-N 3.14Å; T351-E355 PolarHBondContact O-N 2.95Å; T351-E466 WeakPolarHBondContact CB-OE1 3.5Å; T351-E466 WeakPolarHBondContact CG2-OE1 3.38Å; T351-E466 PolarHBondContact OG1-OE1 2.92Å |
| 352 | V | 83.3 | Confident | 83.5 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 15% | 0.145 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L348 S349 R354 E355 L356 I444 V448 | L348-V352 HydrophobicContact CB-CB 4.33Å; L348-V352 HydrophobicContact CB-CG1 4.07Å; L348-V352 HydrophobicContact CD1-CG1 3.94Å; L348-V352 HydrophobicContact CD2-CG1 4.41Å; L348-V352 HydrophobicContact CG-CG1 4.38Å; S349-V352 PolarHBondContact O-N 3.04Å; S349-V352 WeakPolarHBondContact OG-CG2 3.29Å; S349-V352 PolarHBondContact OG-N 3.44Å; V352-R354 VanDerWaalsContact C-N 3.32Å; V352-R354 PolarHBondContact O-N 2.7Å; V352-E355 PolarHBondContact O-N 3.14Å; V352-L356 HydrophobicContact CG1-CD1 3.99Å; V352-L356 HydrophobicContact CG1-CG 4.21Å; V352-L356 WeakPolarHBondContact O-CB 3.14Å; V352-L356 VanDerWaalsContact O-CG 3.25Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 2.95Å; V352-I444 HydrophobicContact CG1-CG2 4.24Å; V352-I444 HydrophobicContact CG2-CG2 4.41Å; V352-V448 HydrophobicContact CG2-CG2 3.85Å |
| 353 | K | 84.9 | Confident | 83.7 | Confident | 19 Ų | 19 | 39.1 Ų | 39.1 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 177.2 | -71.1 | 172.5 | -176.6 | 156.8 | 0 | 112.4 | Y336 L339 L340 L345 S346 L348 S349 T350 T351 L356 A357 | Y336-K353 HydrophobicContact CD2-CB 4.07Å; Y336-K353 HydrophobicContact CE2-CB 3.93Å; L339-K353 VanDerWaalsContact CD1-O 3.3Å; L339-K353 WeakPolarHBondContact CD1-O 3.36Å; L340-K353 HydrophobicContact CD2-CD 4.07Å; L345-K353 WeakPolarHBondContact O-CE 3.47Å; L345-K353 PolarHBondContact O-NZ 2.92Å; S346-K353 PolarHBondContact O-NZ 2.96Å; L348-K353 HydrophobicContact CB-CG 4.25Å; L348-K353 WeakPolarHBondContact O-CE 3.39Å; L348-K353 PolarHBondContact O-NZ 3.18Å; S349-K353 WeakPolarHBondContact O-CG 3.44Å; S349-K353 PolarHBondContact O-N 3.12Å; T350-K353 PolarHBondContact O-N 3.15Å; T351-K353 VanDerWaalsContact C-N 3.33Å; T351-K353 PolarHBondContact O-N 3.01Å; K353-L356 PolarHBondContact O-N 3.32Å; K353-A357 PolarHBondContact O-N 3.31Å; K353-A357 VanDerWaalsContact O-N 3.09Å |
| 354 | R | 86.1 | Confident | 84.1 | Confident | 146 Ų | 146 | 35.5 Ų | 35.5 | 55% | 0.551 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -67.4 | -43.3 | 176.3 | -74.3 | -176.7 | 174.5 | -171 | -2.6 | 112.3 | Y336 T350 T351 V352 L356 A357 | Y336-R354 HydrophobicContact CD2-CB 4.4Å; Y336-R354 HydrophobicContact CD2-CG 3.5Å; Y336-R354 HydrophobicContact CE2-CG 3.59Å; Y336-R354 HydrophobicContact CG-CG 4.17Å; T350-R354 WeakPolarHBondContact O-CG 3.36Å; T350-R354 PolarHBondContact O-N 3.11Å; T351-R354 PolarHBondContact O-N 3.27Å; T351-R354 VanDerWaalsContact O-N 3.14Å; V352-R354 VanDerWaalsContact C-N 3.32Å; V352-R354 PolarHBondContact O-N 2.7Å; R354-L356 VanDerWaalsContact C-N 3.32Å; R354-A357 WeakPolarHBondContact O-CB 3.48Å; R354-A357 PolarHBondContact O-N 2.92Å |
| 355 | E | 86.1 | Confident | 84.4 | Confident | 69 Ų | 69 | 36.9 Ų | 36.9 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 173.7 | -69.9 | -61.8 | 142.7 | 0 | 0 | 111.4 | T351 V352 A357 G358 V359 I444 | T351-E355 PolarHBondContact O-N 2.95Å; V352-E355 PolarHBondContact O-N 3.14Å; E355-A357 VanDerWaalsContact C-N 3.29Å; E355-A357 PolarHBondContact O-N 2.9Å; E355-G358 WeakPolarHBondContact O-CA 3.27Å; E355-G358 PolarHBondContact O-N 3.33Å; E355-V359 PolarHBondContact O-N 2.83Å; E355-I444 HydrophobicContact CB-CD1 3.95Å; E355-I444 HydrophobicContact CB-CG1 3.92Å; E355-I444 HydrophobicContact CB-CG2 4.04Å |
| 356 | L | 88.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -39 | 175.5 | -77.4 | 176.7 | 0 | 0 | 0 | 112.5 | L339 L345 L348 V352 K353 R354 G358 V359 L360 V436 I444 | L339-L356 HydrophobicContact CD1-CB 4.06Å; L345-L356 HydrophobicContact CD2-CD1 4.06Å; L348-L356 HydrophobicContact CD1-CD1 3.55Å; V352-L356 HydrophobicContact CG1-CD1 3.99Å; V352-L356 HydrophobicContact CG1-CG 4.21Å; V352-L356 WeakPolarHBondContact O-CB 3.14Å; V352-L356 VanDerWaalsContact O-CG 3.25Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 2.95Å; K353-L356 PolarHBondContact O-N 3.32Å; R354-L356 VanDerWaalsContact C-N 3.32Å; L356-G358 PolarHBondContact O-N 2.79Å; L356-G358 VanDerWaalsContact O-N 3.16Å; L356-V359 HydrophobicContact CD2-CG2 4.17Å; L356-V359 PolarHBondContact O-N 3.01Å; L356-L360 HydrophobicContact CB-CD1 3.95Å; L356-L360 HydrophobicContact CB-CG 4.17Å; L356-L360 HydrophobicContact CD2-CG 4.49Å; L356-L360 WeakPolarHBondContact O-CB 3.48Å; L356-L360 WeakPolarHBondContact O-CD1 3.47Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.95Å; L356-V436 HydrophobicContact CD2-CG1 4.27Å; L356-V436 HydrophobicContact CD2-CG2 3.69Å; L356-I444 HydrophobicContact CD2-CD1 3.97Å; L356-I444 HydrophobicContact CG-CD1 4.4Å |
| 357 | A | 89 | Confident | 84.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -31.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R327 L332 I335 L339 K353 R354 E355 | R327-A357 PolarHBondContact NH1-O 3.34Å; L332-A357 HydrophobicContact CD2-CB 4.46Å; L332-A357 WeakPolarHBondContact CD2-O 3.3Å; I335-A357 HydrophobicContact CB-CB 4Å; I335-A357 HydrophobicContact CG2-CB 3.74Å; L339-A357 HydrophobicContact CD1-CB 4.24Å; K353-A357 PolarHBondContact O-N 3.31Å; K353-A357 VanDerWaalsContact O-N 3.09Å; R354-A357 WeakPolarHBondContact O-CB 3.48Å; R354-A357 PolarHBondContact O-N 2.92Å; E355-A357 VanDerWaalsContact C-N 3.29Å; E355-A357 PolarHBondContact O-N 2.9Å |
| 358 | G | 89 | Confident | 84.8 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.6 | -29.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P324 E355 L356 | P324-G358 WeakPolarHBondContact CA-O 3.37Å; P324-G358 WeakPolarHBondContact CB-O 3.42Å; E355-G358 WeakPolarHBondContact O-CA 3.27Å; E355-G358 PolarHBondContact O-N 3.33Å; L356-G358 PolarHBondContact O-N 2.79Å; L356-G358 VanDerWaalsContact O-N 3.16Å |
| 359 | V | 89.9 | Confident | 85 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -115.3 | -20.7 | -169 | -56.9 | 0 | 0 | 0 | 0 | 114.9 | E355 L356 I361 V436 D440 I444 | E355-V359 PolarHBondContact O-N 2.83Å; L356-V359 HydrophobicContact CD2-CG2 4.17Å; L356-V359 PolarHBondContact O-N 3.01Å; V359-I361 PolarHBondContact O-N 3.05Å; V359-V436 HydrophobicContact CG2-CG1 4.29Å; V359-D440 HydrophobicContact CB-CB 3.92Å; V359-D440 HydrophobicContact CG1-CB 3.97Å; V359-D440 HydrophobicContact CG2-CB 4.2Å; V359-I444 HydrophobicContact CG1-CD1 4.41Å; V359-I444 HydrophobicContact CG2-CD1 3.57Å |
| 360 | L | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -57.9 | 131.1 | -175.9 | -80.5 | 163.4 | 0 | 0 | 0 | 110.9 | L320 R327 L339 L356 L434 V436 | L320-L360 HydrophobicContact CD2-CB 4.06Å; L320-L360 WeakPolarHBondContact CD2-O 3.28Å; R327-L360 PolarHBondContact NH1-O 3.25Å; R327-L360 PolarHBondContact NH2-O 3.19Å; L339-L360 HydrophobicContact CD1-CD1 3.59Å; L339-L360 HydrophobicContact CD2-CD1 3.48Å; L339-L360 VanDerWaalsContact CD2-CD1 3.48Å; L339-L360 HydrophobicContact CG-CD1 4.17Å; L356-L360 HydrophobicContact CB-CD1 3.95Å; L356-L360 HydrophobicContact CB-CG 4.17Å; L356-L360 HydrophobicContact CD2-CG 4.49Å; L356-L360 WeakPolarHBondContact O-CB 3.48Å; L356-L360 WeakPolarHBondContact O-CD1 3.47Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 2.95Å; L360-L434 HydrophobicContact CD1-CD1 4.44Å; L360-L434 HydrophobicContact CD2-CB 3.97Å; L360-L434 HydrophobicContact CD2-CD1 4.39Å; L360-V436 HydrophobicContact CD2-CG2 3.42Å; L360-V436 VanDerWaalsContact CD2-CG2 3.42Å; L360-V436 HydrophobicContact CG-CG2 4.28Å | ||
| 361 | I | 89.4 | Confident | 86 | Confident | 41 Ų | 41 | 40 Ų | 40 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.4 | 177.5 | -59 | 172 | 0 | 0 | 0 | 108.2 | V359 L434 R435 D437 | V359-I361 PolarHBondContact O-N 3.05Å; I361-L434 CarbonylContact O-C 3.46Å; I361-L434 WeakPolarHBondContact O-CA 3.38Å; I361-R435 HydrophobicContact CB-CB 4.36Å; I361-R435 PolarHBondContact N-O 3.4Å; I361-R435 PolarHBondContact O-N 2.89Å; I361-D437 WeakPolarHBondContact CD1-OD2 3.49Å |
| 362 | F | 89 | Confident | 86.4 | Confident | 21 Ų | 21 | 40 Ų | 40 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.5 | 170.3 | 175.8 | -95.4 | 0 | 0 | 0 | 110 | R317 L320 R321 L386 H432 | R317-F362 HydrophobicContact CB-CE2 4.4Å; R317-F362 HydrophobicContact CG-CD2 4.07Å; R317-F362 HydrophobicContact CG-CE2 3.65Å; R317-F362 HydrophobicContact CG-CZ 4.19Å; L320-F362 HydrophobicContact CB-CB 3.58Å; L320-F362 HydrophobicContact CD1-CB 4.32Å; R321-F362 HydrophobicContact CG-CD1 4.36Å; F362-L386 HydrophobicContact CD2-CD1 4.11Å; F362-L386 HydrophobicContact CE2-CD1 4.16Å; F362-H432 HydrophobicContact CE2-CB 3.85Å; F362-H432 HydrophobicContact CZ-CB 4.04Å; F362-H432 AromaticContact CZ-CG 3.92Å |
| 363 | E | 88.1 | Confident | 86.6 | Confident | 34 Ų | 34 | 39.6 Ų | 39.6 | 16% | 0.159 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.2 | 179.5 | -167 | 174.3 | 135.1 | 0 | 0 | 110.2 | H365 H432 F433 R435 | E363-H365 IonicContact OE1-CD2 3.65Å; E363-H365 IonicContact OE1-CE1 3.39Å; E363-H365 IonicContact OE1-NE2 3.32Å; E363-H365 PolarHBondContact OE1-NE2 3.19Å; E363-H432 CarbonylContact O-C 3.59Å; E363-H432 WeakPolarHBondContact O-CA 3.25Å; E363-F433 PolarHBondContact N-O 3.15Å; E363-F433 PolarHBondContact O-N 2.89Å; E363-R435 WeakPolarHBondContact OE2-CD 3.32Å; E363-R435 IonicContact OE2-CZ 2.73Å; E363-R435 IonicContact OE2-NE 2.75Å; E363-R435 IonicContact OE2-NH1 2.77Å; E363-R435 PolarHBondContact OE2-NH1 3.17Å |
| 364 | S | 85.7 | Confident | 86.2 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 138.8 | -178 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | C431 | S364-C431 WeakPolarHBondContact CA-O 3.48Å |
| 365 | H | 84.8 | Confident | 85.6 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 18% | 0.181 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129 | -177 | -71.8 | -82.3 | 0 | 0 | 0 | 110.4 | E363 L372 L426 N430 C431 F433 | E363-H365 IonicContact OE1-CD2 3.65Å; E363-H365 IonicContact OE1-CE1 3.39Å; E363-H365 IonicContact OE1-NE2 3.32Å; E363-H365 PolarHBondContact OE1-NE2 3.19Å; H365-L372 VanDerWaalsContact NE2-CD1 3.29Å; H365-L372 WeakPolarHBondContact NE2-CD1 3.46Å; H365-L426 HydrophobicContact CB-CD2 3.36Å; H365-N430 CarbonylContact O-C 3.59Å; H365-N430 WeakPolarHBondContact O-CA 3.23Å; H365-N430 PolarHBondContact O-N 3.33Å; H365-C431 PolarHBondContact N-O 2.87Å; H365-C431 PolarHBondContact O-N 3.21Å; H365-F433 AromaticContact CD2-CE2 3.89Å |
| 366 | A | 77.8 | Confident | 84.8 | Confident | 54 Ų | 54 | 35.2 Ų | 35.2 | 45% | 0.446 | 22% | 0.216 | S | C | . | . | trans | -80.9 | -31.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D429 N430 | A366-D429 VanDerWaalsContact O-CA 3.32Å; A366-D429 WeakPolarHBondContact O-CA 3.24Å; A366-D429 VanDerWaalsContact O-CB 3.28Å; A366-D429 WeakPolarHBondContact O-CB 3.46Å; A366-N430 PolarHBondContact O-N 2.87Å | ||
| 367 | K | 82.1 | Confident | 84.1 | Confident | 139 Ų | 139 | 38.8 Ų | 38.8 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -113.5 | 133.3 | -169.6 | -65.2 | -177.3 | -179.9 | 179.8 | 0 | 112.4 | T370 D429 | K367-T370 WeakPolarHBondContact O-CB 3.48Å; K367-T370 PolarHBondContact O-OG1 3.47Å; K367-D429 WeakPolarHBondContact CA-OD1 3.43Å |
| 368 | G | 83.5 | Confident | 83.4 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 150.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T370 E428 D429 | G368-T370 VanDerWaalsContact C-N 3.28Å; G368-T370 PolarHBondContact O-N 2.87Å; G368-E428 WeakPolarHBondContact CA-O 3.42Å; G368-D429 PolarHBondContact N-OD1 3.41Å |
| 369 | G | 83.6 | Confident | 82.7 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E154 V371 L426 | E154-G369 WeakPolarHBondContact OE1-CA 3.46Å; G369-V371 PolarHBondContact O-N 3.15Å; G369-L426 PolarHBondContact N-O 2.75Å |
| 370 | T | 87.3 | Confident | 82.5 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 28% | 0.282 | 27% | 0.272 | S | S | . | . | trans | -64 | 127.3 | 174.5 | -55 | 0 | 0 | 0 | 0 | 109.9 | K367 G368 L426 | K367-T370 WeakPolarHBondContact O-CB 3.48Å; K367-T370 PolarHBondContact O-OG1 3.47Å; G368-T370 VanDerWaalsContact C-N 3.28Å; G368-T370 PolarHBondContact O-N 2.87Å; T370-L426 PolarHBondContact O-N 3.19Å | ||
| 371 | V | 90.1 | Very high | 82.4 | Confident | 71 Ų | 71 | 47.3 Ų | 47.3 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.4 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | G369 N374 V425 | G369-V371 PolarHBondContact O-N 3.15Å; V371-N374 WeakPolarHBondContact CG1-OD1 3.19Å; V371-V425 HydrophobicContact CG2-CG2 4.18Å |
| 372 | L | 86.7 | Confident | 82.4 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.131 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -39.9 | -179.3 | -153 | 72.5 | 0 | 0 | 0 | 111.7 | H365 Y383 F409 I424 L426 F433 | H365-L372 VanDerWaalsContact NE2-CD1 3.29Å; H365-L372 WeakPolarHBondContact NE2-CD1 3.46Å; L372-Y383 HydrophobicContact CD2-CD1 3.85Å; L372-Y383 HydrophobicContact CD2-CD2 4.42Å; L372-Y383 HydrophobicContact CD2-CE1 3.8Å; L372-Y383 HydrophobicContact CD2-CE2 4.38Å; L372-Y383 HydrophobicContact CD2-CG 4.17Å; L372-Y383 HydrophobicContact CG-CE1 4.32Å; L372-F409 HydrophobicContact CD2-CE2 3.78Å; L372-F409 HydrophobicContact CD2-CZ 3.67Å; L372-I424 HydrophobicContact CB-CB 4.2Å; L372-I424 HydrophobicContact CB-CG2 4.05Å; L372-I424 HydrophobicContact CD2-CG2 4.27Å; L372-I424 PolarHBondContact N-O 3.35Å; L372-L426 HydrophobicContact CD1-CD1 4.27Å; L372-F433 HydrophobicContact CD1-CE2 4.45Å |
| 373 | F | 86.3 | Confident | 82.4 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 161.7 | 168.5 | 54.8 | -104.5 | 0 | 0 | 0 | 110.1 | E377 Y383 F409 R420 A422 S423 I424 | F373-E377 WeakPolarHBondContact CA-OE2 3.37Å; F373-E377 WeakPolarHBondContact CB-OE2 3.49Å; F373-Y383 HydrophobicContact CD1-CE2 4.04Å; F373-Y383 HydrophobicContact CE1-CD2 4.02Å; F373-Y383 AromaticContact CE1-CE2 3.83Å; F373-Y383 HydrophobicContact CE1-CE2 3.83Å; F373-F409 AromaticContact CE1-CD2 3.97Å; F373-F409 HydrophobicContact CE1-CD2 3.97Å; F373-F409 AromaticContact CE1-CE2 3.76Å; F373-F409 HydrophobicContact CE1-CE2 3.76Å; F373-F409 AromaticContact CZ-CD2 3.92Å; F373-F409 HydrophobicContact CZ-CD2 3.92Å; F373-F409 HydrophobicContact CZ-CE2 4.14Å; F373-R420 HydrophobicContact CD2-CB 4.29Å; F373-R420 HydrophobicContact CD2-CG 3.76Å; F373-R420 HydrophobicContact CE2-CB 4.41Å; F373-R420 HydrophobicContact CE2-CG 4.04Å; F373-R420 HydrophobicContact CG-CG 4.47Å; F373-A422 VanDerWaalsContact CE2-O 3.31Å; F373-A422 WeakPolarHBondContact CE2-O 3.39Å; F373-S423 WeakPolarHBondContact O-CA 3.29Å; F373-I424 HydrophobicContact CD2-CG1 4.31Å; F373-I424 HydrophobicContact CE1-CB 4.25Å; F373-I424 HydrophobicContact CE1-CG1 3.84Å; F373-I424 HydrophobicContact CE2-CB 4.23Å; F373-I424 HydrophobicContact CE2-CG1 3.51Å; F373-I424 HydrophobicContact CZ-CB 4.06Å; F373-I424 HydrophobicContact CZ-CD1 4.41Å; F373-I424 HydrophobicContact CZ-CG1 3.24Å; F373-I424 PolarHBondContact O-N 3.43Å |
| 374 | N | 77.3 | Confident | 82.5 | Confident | 58 Ų | 58 | 43.9 Ų | 43.9 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | trans | -104.1 | 150.4 | -179.7 | -59.3 | -71.5 | 0 | 0 | 0 | 113 | V371 G376 E377 R420 S423 | V371-N374 WeakPolarHBondContact CG1-OD1 3.19Å; N374-G376 PolarHBondContact O-N 3.07Å; N374-E377 HydrophobicContact CB-CG 3.99Å; N374-E377 WeakPolarHBondContact CB-OE1 3.34Å; N374-E377 VanDerWaalsContact N-CD 3.28Å; N374-E377 PolarHBondContact N-OE2 2.77Å; N374-E377 PolarHBondContact ND2-OE1 2.94Å; N374-E377 WeakPolarHBondContact O-CB 3.33Å; N374-E377 WeakPolarHBondContact O-CG 3.19Å; N374-E377 PolarHBondContact O-N 3.35Å; N374-R420 WeakPolarHBondContact O-CB 3.42Å; N374-S423 WeakPolarHBondContact CA-OG 3.42Å | ||
| 375 | Q | 73.3 | Confident | 82.6 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 134 | 166.7 | -176.4 | 177.4 | 0.6 | 0 | 0 | 109.9 | Y395 R420 A421 S423 | Q375-Y395 HydrophobicContact CB-CD2 4.15Å; Q375-Y395 HydrophobicContact CB-CE2 3.81Å; Q375-Y395 HydrophobicContact CG-CD2 4.25Å; Q375-Y395 HydrophobicContact CG-CE2 4.3Å; Q375-R420 WeakPolarHBondContact CA-O 3.49Å; Q375-R420 WeakPolarHBondContact CG-O 3.47Å; Q375-A421 PolarHBondContact NE2-O 3.48Å; Q375-S423 PolarHBondContact N-OG 3.09Å |
| 376 | G | 70 | Confident | 82.6 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 56% | 0.557 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -11.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N374 R420 | N374-G376 PolarHBondContact O-N 3.07Å; G376-R420 PolarHBondContact N-O 3.42Å |
| 377 | E | 73.9 | Confident | 82.9 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -72.1 | 162.5 | 174.8 | -69.2 | 177.5 | 173.2 | 0 | 0 | 112.2 | F373 N374 P419 R420 | F373-E377 WeakPolarHBondContact CA-OE2 3.37Å; F373-E377 WeakPolarHBondContact CB-OE2 3.49Å; N374-E377 HydrophobicContact CB-CG 3.99Å; N374-E377 WeakPolarHBondContact CB-OE1 3.34Å; N374-E377 VanDerWaalsContact N-CD 3.28Å; N374-E377 PolarHBondContact N-OE2 2.77Å; N374-E377 PolarHBondContact ND2-OE1 2.94Å; N374-E377 WeakPolarHBondContact O-CB 3.33Å; N374-E377 WeakPolarHBondContact O-CG 3.19Å; N374-E377 PolarHBondContact O-N 3.35Å; E377-P419 CarbonylContact O-C 3.55Å; E377-P419 VanDerWaalsContact O-CA 3.29Å; E377-P419 WeakPolarHBondContact O-CA 3.35Å; E377-R420 HydrophobicContact CB-CG 4.29Å; E377-R420 WeakPolarHBondContact O-CG 3.42Å; E377-R420 PolarHBondContact O-N 3.29Å |
| 378 | E | 74.2 | Confident | 83.2 | Confident | 126 Ų | 126 | 36 Ų | 36 | 59% | 0.589 | 21% | 0.208 | S | C | * | . | B | Isolated β-bridge | trans | -66.5 | 140.2 | 173.1 | -167.8 | -176.6 | 162.3 | 0 | 0 | 111.3 | T380 K438 | E378-T380 PolarHBondContact O-N 3.46Å; E378-T380 VanDerWaalsContact O-N 3.09Å; E378-K438 IonicContact OE1-NZ 3.74Å; E378-K438 PolarHBondContact OE1-NZ 2.97Å |
| 379 | G | 74.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -71 | 96.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A413 L414 K438 | G379-A413 VanDerWaalsContact CA-CB 3.48Å; G379-L414 VanDerWaalsContact O-CD2 3.31Å; G379-L414 WeakPolarHBondContact O-CD2 3.47Å; G379-K438 WeakPolarHBondContact O-CD 3.49Å | ||
| 380 | T | 85.6 | Confident | 83.4 | Confident | 73 Ų | 73 | 34.7 Ų | 34.7 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | trans | -95.4 | -30.3 | -178.6 | 52.3 | 0 | 0 | 0 | 0 | 115.1 | E378 K438 | E378-T380 PolarHBondContact O-N 3.46Å; E378-T380 VanDerWaalsContact O-N 3.09Å; T380-K438 WeakPolarHBondContact O-CB 3.39Å; T380-K438 PolarHBondContact O-N 2.99Å | ||
| 381 | S | 87.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.5 | -174.2 | -43.3 | 0 | 0 | 0 | 0 | 114.6 | R420 R435 V436 D437 | S381-R420 VanDerWaalsContact N-NH2 3.19Å; S381-R420 PolarHBondContact O-NH1 3.35Å; S381-R420 PolarHBondContact O-NH2 3.16Å; S381-R435 VanDerWaalsContact CB-CG 3.44Å; S381-R435 WeakPolarHBondContact OG-CD 3.44Å; S381-V436 CarbonylContact C-O 3Å; S381-V436 VanDerWaalsContact CA-O 3.26Å; S381-V436 WeakPolarHBondContact CA-O 3.25Å; S381-V436 WeakPolarHBondContact CB-O 3.39Å; S381-D437 WeakPolarHBondContact CB-OD1 3.18Å; S381-D437 PolarHBondContact OG-OD1 3.27Å |
| 382 | W | 88.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.038 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.3 | 168.9 | 170.2 | 52.8 | 0 | 0 | 0 | 109.3 | L345 L348 I384 D408 F409 K411 L414 R435 V436 | L345-W382 HydrophobicContact CD2-CH2 3.55Å; L345-W382 HydrophobicContact CD2-CZ2 4.47Å; L345-W382 HydrophobicContact CD2-CZ3 4.15Å; L348-W382 HydrophobicContact CD1-CH2 4.38Å; W382-I384 HydrophobicContact CH2-CD1 3.82Å; W382-I384 HydrophobicContact CH2-CG1 4.37Å; W382-I384 HydrophobicContact CZ2-CD1 3.9Å; W382-I384 HydrophobicContact CZ2-CG1 3.97Å; W382-I384 HydrophobicContact CZ3-CD1 4.31Å; W382-D408 HydrophobicContact CZ2-CB 4.36Å; W382-D408 PolarHBondContact NE1-OD2 3.02Å; W382-F409 VanDerWaalsContact CD1-O 3.23Å; W382-K411 HydrophobicContact CG-CB 4.29Å; W382-L414 HydrophobicContact CB-CD1 3.58Å; W382-R435 CarbonylContact O-C 3.57Å; W382-R435 VanDerWaalsContact O-CA 3.32Å; W382-R435 WeakPolarHBondContact O-CA 3.45Å; W382-V436 HydrophobicContact CE3-CB 4.16Å; W382-V436 HydrophobicContact CE3-CG2 3.85Å; W382-V436 HydrophobicContact CZ3-CG2 4.23Å; W382-V436 PolarHBondContact N-O 3.08Å; W382-V436 PolarHBondContact O-N 3.01Å |
| 383 | Y | 89.2 | Confident | 82 | Confident | 12 Ų | 12 | 29.4 Ų | 29.4 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.5 | -172.8 | -63.7 | -95.7 | 0 | 0 | 0 | 112.1 | L372 F373 D408 F409 F433 L434 R435 | L372-Y383 HydrophobicContact CD2-CD1 3.85Å; L372-Y383 HydrophobicContact CD2-CD2 4.42Å; L372-Y383 HydrophobicContact CD2-CE1 3.8Å; L372-Y383 HydrophobicContact CD2-CE2 4.38Å; L372-Y383 HydrophobicContact CD2-CG 4.17Å; L372-Y383 HydrophobicContact CG-CE1 4.32Å; F373-Y383 HydrophobicContact CD1-CE2 4.04Å; F373-Y383 HydrophobicContact CE1-CD2 4.02Å; F373-Y383 AromaticContact CE1-CE2 3.83Å; F373-Y383 HydrophobicContact CE1-CE2 3.83Å; Y383-D408 VanDerWaalsContact O-CA 3.31Å; Y383-D408 WeakPolarHBondContact O-CA 3.3Å; Y383-D408 WeakPolarHBondContact O-CB 3.35Å; Y383-F409 VanDerWaalsContact CB-CE2 3.5Å; Y383-F409 VanDerWaalsContact CB-CZ 3.41Å; Y383-F409 HydrophobicContact CD2-CD2 4.25Å; Y383-F409 AromaticContact CD2-CE2 3.71Å; Y383-F409 HydrophobicContact CD2-CE2 3.71Å; Y383-F409 HydrophobicContact CD2-CZ 4.36Å; Y383-F409 HydrophobicContact CG-CD2 4.47Å; Y383-F409 AromaticContact CG-CE2 3.71Å; Y383-F409 HydrophobicContact CG-CE2 3.71Å; Y383-F409 AromaticContact CG-CZ 3.9Å; Y383-F409 HydrophobicContact CG-CZ 3.9Å; Y383-F409 PolarHBondContact N-O 3.37Å; Y383-F409 PolarHBondContact O-N 2.84Å; Y383-F433 HydrophobicContact CD1-CB 4.2Å; Y383-L434 CarbonylContact C-O 3.59Å; Y383-L434 VanDerWaalsContact CA-O 3.28Å; Y383-L434 WeakPolarHBondContact CA-O 3.48Å; Y383-R435 HydrophobicContact CD1-CB 4.09Å; Y383-R435 HydrophobicContact CD1-CG 3.92Å; Y383-R435 HydrophobicContact CE1-CB 4.03Å; Y383-R435 VanDerWaalsContact CE1-CD 3.44Å; Y383-R435 HydrophobicContact CE1-CG 3.54Å; Y383-R435 HydrophobicContact CE2-CG 4.48Å; Y383-R435 WeakPolarHBondContact OH-CD 3.43Å |
| 384 | I | 90 | Very high | 81.2 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133 | 170.7 | -56.4 | 167.8 | 0 | 0 | 0 | 108.1 | I342 A344 L345 W382 L386 D408 F433 L434 | I342-I384 HydrophobicContact CG2-CG2 4.13Å; A344-I384 HydrophobicContact CB-CD1 4.15Å; A344-I384 HydrophobicContact CB-CG1 4.21Å; A344-I384 HydrophobicContact CB-CG2 3.89Å; L345-I384 HydrophobicContact CD1-CD1 4.44Å; L345-I384 HydrophobicContact CD2-CD1 3.43Å; L345-I384 VanDerWaalsContact CD2-CD1 3.43Å; L345-I384 HydrophobicContact CG-CD1 3.95Å; W382-I384 HydrophobicContact CH2-CD1 3.82Å; W382-I384 HydrophobicContact CH2-CG1 4.37Å; W382-I384 HydrophobicContact CZ2-CD1 3.9Å; W382-I384 HydrophobicContact CZ2-CG1 3.97Å; W382-I384 HydrophobicContact CZ3-CD1 4.31Å; I384-L386 PolarHBondContact O-N 3.1Å; I384-D408 HydrophobicContact CG1-CB 3.99Å; I384-F433 CarbonylContact O-C 3.53Å; I384-F433 VanDerWaalsContact O-CA 3.22Å; I384-F433 WeakPolarHBondContact O-CA 3.46Å; I384-L434 HydrophobicContact CB-CB 4.26Å; I384-L434 PolarHBondContact N-O 3.24Å; I384-L434 PolarHBondContact O-N 3.46Å |
| 385 | I | 87.2 | Confident | 80.9 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 115.6 | -178.1 | -50.1 | -180 | 0 | 0 | 0 | 109.6 | V390 L403 E405 G406 D407 F409 F433 | I385-V390 HydrophobicContact CD1-CG2 3.78Å; I385-L403 HydrophobicContact CD1-CB 3.61Å; I385-E405 WeakPolarHBondContact O-CA 3.5Å; I385-G406 PolarHBondContact O-N 3.32Å; I385-D407 HydrophobicContact CD1-CB 4.46Å; I385-D407 PolarHBondContact N-O 2.91Å; I385-F409 HydrophobicContact CD1-CD1 4.28Å; I385-F409 HydrophobicContact CD1-CE1 3.93Å; I385-F409 HydrophobicContact CG1-CD1 4.24Å; I385-F409 HydrophobicContact CG1-CE1 3.7Å; I385-F433 HydrophobicContact CB-CD1 4.46Å; I385-F433 HydrophobicContact CB-CE1 4.5Å; I385-F433 HydrophobicContact CG1-CD1 4.06Å; I385-F433 HydrophobicContact CG1-CE1 3.92Å; I385-F433 HydrophobicContact CG2-CE1 4.31Å |
| 386 | L | 85.3 | Confident | 80.5 | Confident | 29 Ų | 29 | 35.9 Ų | 35.9 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -31.4 | 172.2 | -68 | -176 | 0 | 0 | 0 | 112.8 | I342 F362 I384 E405 H432 L434 | I342-L386 HydrophobicContact CD1-CD2 4.18Å; F362-L386 HydrophobicContact CD2-CD1 4.11Å; F362-L386 HydrophobicContact CE2-CD1 4.16Å; I384-L386 PolarHBondContact O-N 3.1Å; L386-E405 VanDerWaalsContact O-CG 3.29Å; L386-E405 WeakPolarHBondContact O-CG 3.5Å; L386-H432 HydrophobicContact CB-CB 4.1Å; L386-H432 PolarHBondContact N-O 3.32Å; L386-L434 HydrophobicContact CD1-CD1 4.43Å; L386-L434 HydrophobicContact CD1-CD2 3.73Å; L386-L434 HydrophobicContact CD1-CG 3.7Å; L386-L434 HydrophobicContact CD2-CD1 3.97Å; L386-L434 HydrophobicContact CD2-CG 3.95Å; L386-L434 HydrophobicContact CG-CD1 4.4Å; L386-L434 HydrophobicContact CG-CD2 4.41Å; L386-L434 HydrophobicContact CG-CG 3.82Å |
| 387 | K | 85.4 | Confident | 80.3 | Confident | 79 Ų | 79 | 36.4 Ų | 36.4 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 144.2 | 178.4 | -171 | -174 | 177.1 | -178.2 | 0 | 109.5 | C431 H432 | K387-C431 CarbonylContact O-C 3.49Å; K387-C431 VanDerWaalsContact O-CA 3.26Å; K387-C431 WeakPolarHBondContact O-CA 3.35Å; K387-H432 HydrophobicContact CB-CB 3.88Å; K387-H432 VanDerWaalsContact CD-CD2 3.43Å; K387-H432 WeakPolarHBondContact CD-CD2 2.88Å; K387-H432 VanDerWaalsContact CD-NE2 3.35Å; K387-H432 WeakPolarHBondContact CD-NE2 2.93Å; K387-H432 PolarHBondContact N-O 3.19Å; K387-H432 PolarHBondContact O-N 2.84Å |
| 388 | G | 86.8 | Confident | 80.2 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 90.6 | -160.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E405 E428 | G388-E405 PolarHBondContact O-N 2.99Å; G388-E428 WeakPolarHBondContact CA-OE1 3.49Å |
| 389 | S | 86.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.3 | -177.1 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | L403 R427 E428 | S389-L403 CarbonylContact C-O 3.57Å; S389-L403 WeakPolarHBondContact CA-O 3.29Å; S389-L403 WeakPolarHBondContact CB-O 3.46Å; S389-R427 WeakPolarHBondContact O-CB 3.19Å; S389-R427 PolarHBondContact O-N 3.47Å; S389-E428 WeakPolarHBondContact CB-OE1 3.48Å; S389-E428 PolarHBondContact N-OE1 3.47Å; S389-E428 PolarHBondContact OG-OE1 3.31Å |
| 390 | V | 86.3 | Confident | 80 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.6 | 179.9 | -55.5 | 0 | 0 | 0 | 0 | 111 | I385 T402 L403 F409 I424 V425 L426 F433 | I385-V390 HydrophobicContact CD1-CG2 3.78Å; V390-T402 CarbonylContact O-C 3.59Å; V390-T402 WeakPolarHBondContact O-CA 3.4Å; V390-T402 WeakPolarHBondContact O-CG2 3.43Å; V390-L403 HydrophobicContact CG2-CB 3.89Å; V390-L403 HydrophobicContact CG2-CD1 4.17Å; V390-L403 HydrophobicContact CG2-CG 4.36Å; V390-L403 PolarHBondContact N-O 2.9Å; V390-L403 PolarHBondContact O-N 3.38Å; V390-F409 HydrophobicContact CG2-CD1 4.41Å; V390-F409 HydrophobicContact CG2-CE1 4.01Å; V390-F409 HydrophobicContact CG2-CZ 4.48Å; V390-I424 HydrophobicContact CB-CG2 3.81Å; V390-I424 HydrophobicContact CG1-CG2 4.13Å; V390-I424 HydrophobicContact CG2-CG2 3.82Å; V390-V425 CarbonylContact C-O 3.53Å; V390-V425 WeakPolarHBondContact CA-O 3.47Å; V390-L426 HydrophobicContact CG1-CD1 4.14Å; V390-L426 HydrophobicContact CG1-CG 4.32Å; V390-F433 HydrophobicContact CG1-CE1 3.72Å; V390-F433 HydrophobicContact CG1-CZ 3.63Å |
| 391 | N | 80.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.3 | 171.8 | -64.2 | -39.1 | 0 | 0 | 0 | 109.9 | M153 V393 V399 T402 V425 R427 | M153-N391 PolarHBondContact O-ND2 3.46Å; N391-V393 HydrophobicContact CB-CG2 4.35Å; N391-V399 HydrophobicContact CB-CG1 4.04Å; N391-V399 HydrophobicContact CB-CG2 4.32Å; N391-T402 PolarHBondContact OD1-OG1 3.44Å; N391-V425 PolarHBondContact N-O 3.07Å; N391-V425 PolarHBondContact O-N 3.29Å; N391-V425 VanDerWaalsContact O-N 3.08Å; N391-R427 PolarHBondContact OD1-NH1 3.15Å |
| 392 | V | 79.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.8 | 171.5 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | I92 V399 V400 C401 L403 A422 I424 | I92-V392 HydrophobicContact CD1-CG1 4.12Å; V392-V399 CarbonylContact O-C 3.58Å; V392-V399 WeakPolarHBondContact O-CA 3.45Å; V392-V400 PolarHBondContact O-N 2.73Å; V392-C401 PolarHBondContact N-O 3.43Å; V392-L403 HydrophobicContact CG2-CD1 3.76Å; V392-L403 HydrophobicContact CG2-CD2 4.5Å; V392-L403 HydrophobicContact CG2-CG 3.82Å; V392-A422 HydrophobicContact CG1-CB 3.71Å; V392-I424 HydrophobicContact CB-CD1 4.25Å; V392-I424 HydrophobicContact CG1-CD1 4.18Å; V392-I424 HydrophobicContact CG2-CD1 3.8Å |
| 393 | V | 73.9 | Confident | 78.7 | Confident | 27 Ų | 27 | 26.5 Ų | 26.5 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.1 | -172.3 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | N391 G398 V399 A422 S423 V425 | N391-V393 HydrophobicContact CB-CG2 4.35Å; V393-G398 WeakPolarHBondContact CA-O 3.35Å; V393-V399 HydrophobicContact CG2-CG2 4.19Å; V393-A422 CarbonylContact O-C 3.53Å; V393-A422 WeakPolarHBondContact O-CA 3.19Å; V393-S423 PolarHBondContact N-O 2.98Å; V393-S423 PolarHBondContact O-N 3.48Å; V393-V425 HydrophobicContact CG2-CG2 4.25Å |
| 394 | I | 69.7 | Low | 78.5 | Confident | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.046 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.1 | 174.1 | -59.4 | -174 | 0 | 0 | 0 | 109.1 | V80 I92 G396 K397 G398 V400 A422 | V80-I394 HydrophobicContact CB-CD1 4.34Å; V80-I394 HydrophobicContact CG1-CD1 3.96Å; V80-I394 HydrophobicContact CG2-CD1 4.05Å; I92-I394 HydrophobicContact CD1-CD1 4.34Å; I394-G396 PolarHBondContact O-N 3.13Å; I394-K397 HydrophobicContact CB-CB 4.21Å; I394-K397 HydrophobicContact CB-CD 4.45Å; I394-K397 HydrophobicContact CG2-CB 4.46Å; I394-K397 HydrophobicContact CG2-CD 4.17Å; I394-K397 HydrophobicContact CG2-CG 4.39Å; I394-K397 PolarHBondContact O-N 3.44Å; I394-G398 PolarHBondContact N-O 3.4Å; I394-G398 PolarHBondContact O-N 3.35Å; I394-V400 HydrophobicContact CB-CG2 3.99Å; I394-V400 HydrophobicContact CD1-CG2 3.77Å; I394-V400 HydrophobicContact CG1-CG2 3.73Å; I394-A422 HydrophobicContact CD1-CB 4.39Å; I394-A422 HydrophobicContact CG1-CB 3.79Å |
| 395 | Y | 70.3 | Confident | 78.3 | Confident | 139 Ų | 139 | 31.6 Ų | 31.6 | 55% | 0.545 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 130.7 | 177.2 | -61.6 | -28.1 | 0 | 0 | 0 | 111 | Q375 K397 | Q375-Y395 HydrophobicContact CB-CD2 4.15Å; Q375-Y395 HydrophobicContact CB-CE2 3.81Å; Q375-Y395 HydrophobicContact CG-CD2 4.25Å; Q375-Y395 HydrophobicContact CG-CE2 4.3Å; Y395-K397 PolarHBondContact O-N 2.83Å |
| 396 | G | 66.6 | Low | 78 | Confident | 92 Ų | 92 | 32.9 Ų | 32.9 | 95% | 0.948 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | -13.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I394 | I394-G396 PolarHBondContact O-N 3.13Š|
| 397 | K | 65.1 | Low | 77.8 | Confident | 65 Ų | 65 | 31.7 Ų | 31.7 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -18.5 | 176.6 | -60.5 | -177.2 | 179.3 | 179.2 | 0 | 113.8 | V80 H112 I394 Y395 V400 | V80-K397 VanDerWaalsContact CG1-NZ 3.33Å; H112-K397 PolarHBondContact O-NZ 3.49Å; I394-K397 HydrophobicContact CB-CB 4.21Å; I394-K397 HydrophobicContact CB-CD 4.45Å; I394-K397 HydrophobicContact CG2-CB 4.46Å; I394-K397 HydrophobicContact CG2-CD 4.17Å; I394-K397 HydrophobicContact CG2-CG 4.39Å; I394-K397 PolarHBondContact O-N 3.44Å; Y395-K397 PolarHBondContact O-N 2.83Å; K397-V400 HydrophobicContact CB-CG2 4.29Å |
| 398 | G | 72.6 | Confident | 77.8 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.1 | -145.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | V393 I394 V400 | V393-G398 WeakPolarHBondContact CA-O 3.35Å; I394-G398 PolarHBondContact N-O 3.4Å; I394-G398 PolarHBondContact O-N 3.35Å; G398-V400 PolarHBondContact O-N 2.78Å |
| 399 | V | 73.3 | Confident | 77.7 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 11% | 0.109 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 114.7 | 178 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | A147 P148 N391 V392 V393 | A147-V399 HydrophobicContact CB-CB 4.3Å; A147-V399 HydrophobicContact CB-CG1 3.79Å; P148-V399 HydrophobicContact CG-CG2 4.28Å; N391-V399 HydrophobicContact CB-CG1 4.04Å; N391-V399 HydrophobicContact CB-CG2 4.32Å; V392-V399 CarbonylContact O-C 3.58Å; V392-V399 WeakPolarHBondContact O-CA 3.45Å; V393-V399 HydrophobicContact CG2-CG2 4.19Å |
| 400 | V | 70.4 | Confident | 77.2 | Confident | 18 Ų | 18 | 28.8 Ų | 28.8 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -41.6 | -178.5 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | I92 H112 A113 V392 I394 K397 G398 | I92-V400 HydrophobicContact CD1-CG1 4.47Å; H112-V400 HydrophobicContact CB-CG1 3.98Å; H112-V400 HydrophobicContact CB-CG2 4.4Å; A113-V400 HydrophobicContact CB-CG1 4.28Å; V392-V400 PolarHBondContact O-N 2.73Å; I394-V400 HydrophobicContact CB-CG2 3.99Å; I394-V400 HydrophobicContact CD1-CG2 3.77Å; I394-V400 HydrophobicContact CG1-CG2 3.73Å; K397-V400 HydrophobicContact CB-CG2 4.29Å; G398-V400 PolarHBondContact O-N 2.78Å |
| 401 | C | 75.4 | Confident | 76.4 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 169.9 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | C93 V392 | C93-C401 VanDerWaalsContact SG-SG 3.66Å; V392-C401 PolarHBondContact N-O 3.43Å |
| 402 | T | 77.8 | Confident | 75.6 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.5 | 173.1 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | V390 N391 | V390-T402 CarbonylContact O-C 3.59Å; V390-T402 WeakPolarHBondContact O-CA 3.4Å; V390-T402 WeakPolarHBondContact O-CG2 3.43Å; N391-T402 PolarHBondContact OD1-OG1 3.44Å |
| 403 | L | 81.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 147.2 | 178.3 | -54.6 | 177.4 | 0 | 0 | 0 | 110.2 | C93 L95 I385 S389 V390 V392 D407 F409 | C93-L403 HydrophobicContact CB-CD1 3.63Å; C93-L403 HydrophobicContact CB-CD2 3.85Å; C93-L403 HydrophobicContact CB-CG 4.32Å; L95-L403 HydrophobicContact CD2-CD2 3.66Å; I385-L403 HydrophobicContact CD1-CB 3.61Å; S389-L403 CarbonylContact C-O 3.57Å; S389-L403 WeakPolarHBondContact CA-O 3.29Å; S389-L403 WeakPolarHBondContact CB-O 3.46Å; V390-L403 HydrophobicContact CG2-CB 3.89Å; V390-L403 HydrophobicContact CG2-CD1 4.17Å; V390-L403 HydrophobicContact CG2-CG 4.36Å; V390-L403 PolarHBondContact N-O 2.9Å; V390-L403 PolarHBondContact O-N 3.38Å; V392-L403 HydrophobicContact CG2-CD1 3.76Å; V392-L403 HydrophobicContact CG2-CD2 4.5Å; V392-L403 HydrophobicContact CG2-CG 3.82Å; L403-D407 WeakPolarHBondContact CA-OD2 3.44Å; L403-D407 HydrophobicContact CB-CB 3.99Å; L403-D407 HydrophobicContact CD2-CB 4.3Å; L403-F409 HydrophobicContact CD1-CB 3.8Å; L403-F409 HydrophobicContact CD1-CD1 3.7Å; L403-F409 HydrophobicContact CD1-CG 4.04Å |
| 404 | H | 85.3 | Confident | 74.6 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 175.1 | -178.2 | -57.1 | 86.2 | 0 | 0 | 0 | 111.2 | T99 G406 D407 | T99-H404 PolarHBondContact OG1-ND1 3.04Å; H404-G406 PolarHBondContact O-N 3.38Å; H404-D407 PolarHBondContact N-OD2 3.35Å; H404-D407 WeakPolarHBondContact O-CB 3.33Å; H404-D407 PolarHBondContact O-N 2.85Å |
| 405 | E | 85.9 | Confident | 74.4 | Confident | 100 Ų | 100 | 37.4 Ų | 37.4 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.2 | 129.8 | 171.5 | -179.6 | 179 | 174.2 | 0 | 0 | 113.8 | K30 I385 L386 G388 | K30-E405 IonicContact NZ-OE2 3.81Å; K30-E405 PolarHBondContact NZ-OE2 2.98Å; I385-E405 WeakPolarHBondContact O-CA 3.5Å; L386-E405 VanDerWaalsContact O-CG 3.29Å; L386-E405 WeakPolarHBondContact O-CG 3.5Å; G388-E405 PolarHBondContact O-N 2.99Å |
| 406 | G | 80.7 | Confident | 74.1 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -18.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I385 H404 | I385-G406 PolarHBondContact O-N 3.32Å; H404-G406 PolarHBondContact O-N 3.38Å |
| 407 | D | 81.5 | Confident | 74.2 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -77.4 | 157.3 | 175.3 | -61.9 | -21.4 | 0 | 0 | 0 | 111.4 | T94 G96 T99 I385 L403 H404 | T94-D407 WeakPolarHBondContact O-CB 3.48Å; G96-D407 WeakPolarHBondContact CA-OD1 3.25Å; G96-D407 PolarHBondContact N-OD1 3.34Å; T99-D407 PolarHBondContact OG1-OD2 3.31Å; I385-D407 HydrophobicContact CD1-CB 4.46Å; I385-D407 PolarHBondContact N-O 2.91Å; L403-D407 WeakPolarHBondContact CA-OD2 3.44Å; L403-D407 HydrophobicContact CB-CB 3.99Å; L403-D407 HydrophobicContact CD2-CB 4.3Å; H404-D407 PolarHBondContact N-OD2 3.35Å; H404-D407 WeakPolarHBondContact O-CB 3.33Å; H404-D407 PolarHBondContact O-N 2.85Å | ||
| 408 | D | 84.5 | Confident | 74.1 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.5 | 179.3 | 81.8 | -77.3 | 0 | 0 | 0 | 112.6 | T94 A344 W382 Y383 I384 | T94-D408 VanDerWaalsContact CB-OD1 3.23Å; T94-D408 WeakPolarHBondContact CB-OD1 3.32Å; T94-D408 PolarHBondContact N-O 3.11Å; T94-D408 PolarHBondContact OG1-OD1 3.5Å; A344-D408 HydrophobicContact CB-CB 4.1Å; W382-D408 HydrophobicContact CZ2-CB 4.36Å; W382-D408 PolarHBondContact NE1-OD2 3.02Å; Y383-D408 VanDerWaalsContact O-CA 3.31Å; Y383-D408 WeakPolarHBondContact O-CA 3.3Å; Y383-D408 WeakPolarHBondContact O-CB 3.35Å; I384-D408 HydrophobicContact CG1-CB 3.99Å |
| 409 | F | 84 | Confident | 73.9 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 160.9 | -176.3 | 61.3 | -92.4 | 0 | 0 | 0 | 113.6 | C93 L372 F373 W382 Y383 I385 V390 L403 I424 F433 | C93-F409 HydrophobicContact CB-CB 4.13Å; L372-F409 HydrophobicContact CD2-CE2 3.78Å; L372-F409 HydrophobicContact CD2-CZ 3.67Å; F373-F409 AromaticContact CE1-CD2 3.97Å; F373-F409 HydrophobicContact CE1-CD2 3.97Å; F373-F409 AromaticContact CE1-CE2 3.76Å; F373-F409 HydrophobicContact CE1-CE2 3.76Å; F373-F409 AromaticContact CZ-CD2 3.92Å; F373-F409 HydrophobicContact CZ-CD2 3.92Å; F373-F409 HydrophobicContact CZ-CE2 4.14Å; W382-F409 VanDerWaalsContact CD1-O 3.23Å; Y383-F409 VanDerWaalsContact CB-CE2 3.5Å; Y383-F409 VanDerWaalsContact CB-CZ 3.41Å; Y383-F409 HydrophobicContact CD2-CD2 4.25Å; Y383-F409 AromaticContact CD2-CE2 3.71Å; Y383-F409 HydrophobicContact CD2-CE2 3.71Å; Y383-F409 HydrophobicContact CD2-CZ 4.36Å; Y383-F409 HydrophobicContact CG-CD2 4.47Å; Y383-F409 AromaticContact CG-CE2 3.71Å; Y383-F409 HydrophobicContact CG-CE2 3.71Å; Y383-F409 AromaticContact CG-CZ 3.9Å; Y383-F409 HydrophobicContact CG-CZ 3.9Å; Y383-F409 PolarHBondContact N-O 3.37Å; Y383-F409 PolarHBondContact O-N 2.84Å; I385-F409 HydrophobicContact CD1-CD1 4.28Å; I385-F409 HydrophobicContact CD1-CE1 3.93Å; I385-F409 HydrophobicContact CG1-CD1 4.24Å; I385-F409 HydrophobicContact CG1-CE1 3.7Å; V390-F409 HydrophobicContact CG2-CD1 4.41Å; V390-F409 HydrophobicContact CG2-CE1 4.01Å; V390-F409 HydrophobicContact CG2-CZ 4.48Å; L403-F409 HydrophobicContact CD1-CB 3.8Å; L403-F409 HydrophobicContact CD1-CD1 3.7Å; L403-F409 HydrophobicContact CD1-CG 4.04Å; F409-I424 HydrophobicContact CD2-CD1 4.04Å; F409-I424 HydrophobicContact CD2-CG1 3.77Å; F409-I424 HydrophobicContact CD2-CG2 4.45Å; F409-I424 HydrophobicContact CE2-CB 4.24Å; F409-I424 HydrophobicContact CE2-CD1 4.42Å; F409-I424 HydrophobicContact CE2-CG1 3.85Å; F409-I424 HydrophobicContact CE2-CG2 3.81Å; F409-I424 HydrophobicContact CG-CD1 4.34Å; F409-I424 HydrophobicContact CZ-CG2 3.91Å; F409-F433 HydrophobicContact CE1-CD1 4.31Å; F409-F433 HydrophobicContact CE1-CE1 4.18Å; F409-F433 HydrophobicContact CZ-CD1 4.22Å; F409-F433 HydrophobicContact CZ-CE1 4.11Å |
| 410 | G | 75.9 | Confident | 73.9 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | trans | 83.2 | 6.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L412 R420 | G410-L412 PolarHBondContact O-N 3.11Å; G410-R420 VanDerWaalsContact CA-NH1 3.3Å; G410-R420 PolarHBondContact O-NH1 2.63Å | ||
| 411 | K | 70.7 | Confident | 73.6 | Confident | 86 Ų | 86 | 37.2 Ų | 37.2 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 178.5 | 180 | 177.3 | 176.1 | 178.1 | 0 | 113.6 | W382 A413 L414 V415 F441 | W382-K411 HydrophobicContact CG-CB 4.29Å; K411-A413 PolarHBondContact O-N 2.92Å; K411-L414 WeakPolarHBondContact O-CB 3.11Å; K411-L414 PolarHBondContact O-N 3.43Å; K411-V415 HydrophobicContact CG-CG2 4.39Å; K411-F441 HydrophobicContact CG-CZ 4.47Å |
| 412 | L | 63.8 | Low | 73.3 | Confident | 42 Ų | 42 | 37.1 Ų | 37.1 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.6 | -45.2 | -170.3 | -179.1 | 76.4 | 0 | 0 | 0 | 113.7 | V90 G410 L414 V415 N416 | V90-L412 HydrophobicContact CB-CD1 3.99Å; V90-L412 HydrophobicContact CB-CD2 3.41Å; V90-L412 VanDerWaalsContact CB-CD2 3.41Å; V90-L412 HydrophobicContact CB-CG 4.33Å; V90-L412 HydrophobicContact CG1-CD1 4.28Å; V90-L412 HydrophobicContact CG1-CD2 4.08Å; V90-L412 HydrophobicContact CG2-CD2 3.41Å; V90-L412 VanDerWaalsContact CG2-CD2 3.41Å; G410-L412 PolarHBondContact O-N 3.11Å; L412-L414 PolarHBondContact O-N 3.46Å; L412-V415 PolarHBondContact O-N 2.88Å; L412-V415 VanDerWaalsContact O-N 3.08Å; L412-N416 WeakPolarHBondContact CD1-ND2 3.43Å; L412-N416 PolarHBondContact O-N 2.7Å; L412-N416 VanDerWaalsContact O-N 3.09Å |
| 413 | A | 61 | Low | 73.3 | Confident | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -24.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G379 K411 D417 A418 | G379-A413 VanDerWaalsContact CA-CB 3.48Å; K411-A413 PolarHBondContact O-N 2.92Å; A413-D417 PolarHBondContact O-N 3.34Å; A413-A418 WeakPolarHBondContact CB-O 3.39Å |
| 414 | L | 70.2 | Confident | 73.6 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.3 | -35.1 | 174.1 | -51.1 | -178.9 | 0 | 0 | 0 | 112.6 | G379 W382 K411 L412 K438 F441 | G379-L414 VanDerWaalsContact O-CD2 3.31Å; G379-L414 WeakPolarHBondContact O-CD2 3.47Å; W382-L414 HydrophobicContact CB-CD1 3.58Å; K411-L414 WeakPolarHBondContact O-CB 3.11Å; K411-L414 PolarHBondContact O-N 3.43Å; L412-L414 PolarHBondContact O-N 3.46Å; L414-K438 HydrophobicContact CD2-CB 3.69Å; L414-K438 HydrophobicContact CD2-CG 3.91Å; L414-F441 HydrophobicContact CB-CD1 4Å; L414-F441 HydrophobicContact CB-CE1 4.19Å; L414-F441 HydrophobicContact CD1-CB 4.11Å; L414-F441 HydrophobicContact CD1-CD1 4.13Å; L414-F441 HydrophobicContact CD1-CD2 4.08Å; L414-F441 HydrophobicContact CD1-CG 3.84Å |
| 415 | V | 65.3 | Low | 73.6 | Confident | 84 Ų | 84 | 37 Ų | 37 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -79 | -42.7 | -175 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | K411 L412 F441 | K411-V415 HydrophobicContact CG-CG2 4.39Å; L412-V415 PolarHBondContact O-N 2.88Å; L412-V415 VanDerWaalsContact O-N 3.08Å; V415-F441 HydrophobicContact CG2-CE1 4.03Å; V415-F441 HydrophobicContact CG2-CZ 4.17Å |
| 416 | N | 64.6 | Low | 73.7 | Confident | 93 Ų | 93 | 32.2 Ų | 32.2 | 50% | 0.497 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0 | -171.6 | -66.6 | -4.4 | 0 | 0 | 0 | 113.6 | L412 A418 | L412-N416 WeakPolarHBondContact CD1-ND2 3.43Å; L412-N416 PolarHBondContact O-N 2.7Å; L412-N416 VanDerWaalsContact O-N 3.09Å; N416-A418 HydrophobicContact CB-CB 4.07Å; N416-A418 PolarHBondContact O-N 2.82Å |
| 417 | D | 69.3 | Low | 73.8 | Confident | 115 Ų | 115 | 31 Ų | 31 | 62% | 0.615 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 42.5 | -171.7 | -157.3 | 24.8 | 0 | 0 | 0 | 112.5 | A413 K438 | A413-D417 PolarHBondContact O-N 3.34Å; D417-K438 WeakPolarHBondContact OD1-CE 3.4Å; D417-K438 IonicContact OD1-NZ 2.82Å; D417-K438 PolarHBondContact OD1-NZ 3.14Å |
| 418 | A | 62.5 | Low | 74 | Confident | 35 Ų | 35 | 33 Ų | 33 | 29% | 0.289 | 19% | 0.191 | S | C | . | . | trans | -113.5 | 154.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111 | A413 N416 | A413-A418 WeakPolarHBondContact CB-O 3.39Å; N416-A418 HydrophobicContact CB-CB 4.07Å; N416-A418 PolarHBondContact O-N 2.82Å | ||
| 419 | P | 68.5 | Low | 74 | Confident | 86 Ų | 86 | 34.7 Ų | 34.7 | 56% | 0.558 | 20% | 0.199 | S | C | * | . | B | Isolated β-bridge | trans | -58.7 | 158.4 | 173.1 | -23.5 | 33.9 | 0 | 0 | 0 | 113.3 | E377 A421 | E377-P419 CarbonylContact O-C 3.55Å; E377-P419 VanDerWaalsContact O-CA 3.29Å; E377-P419 WeakPolarHBondContact O-CA 3.35Å; P419-A421 PolarHBondContact O-N 3.1Å |
| 420 | R | 72.9 | Confident | 73.8 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 3% | 0.034 | 21% | 0.21 | C | C | . | . | trans | -60.6 | 124.4 | 174.6 | -66.2 | -60.5 | -171.3 | -174.2 | 2.3 | 110.7 | F373 N374 Q375 G376 E377 S381 G410 A422 | F373-R420 HydrophobicContact CD2-CB 4.29Å; F373-R420 HydrophobicContact CD2-CG 3.76Å; F373-R420 HydrophobicContact CE2-CB 4.41Å; F373-R420 HydrophobicContact CE2-CG 4.04Å; F373-R420 HydrophobicContact CG-CG 4.47Å; N374-R420 WeakPolarHBondContact O-CB 3.42Å; Q375-R420 WeakPolarHBondContact CA-O 3.49Å; Q375-R420 WeakPolarHBondContact CG-O 3.47Å; G376-R420 PolarHBondContact N-O 3.42Å; E377-R420 HydrophobicContact CB-CG 4.29Å; E377-R420 WeakPolarHBondContact O-CG 3.42Å; E377-R420 PolarHBondContact O-N 3.29Å; S381-R420 VanDerWaalsContact N-NH2 3.19Å; S381-R420 PolarHBondContact O-NH1 3.35Å; S381-R420 PolarHBondContact O-NH2 3.16Å; G410-R420 VanDerWaalsContact CA-NH1 3.3Å; G410-R420 PolarHBondContact O-NH1 2.63Å; R420-A422 VanDerWaalsContact C-N 3.3Å; R420-A422 PolarHBondContact O-N 3.1Å | ||
| 421 | A | 63.9 | Low | 74.2 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -79.1 | -9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I92 Q375 P419 | I92-A421 HydrophobicContact CG2-CB 4.12Å; Q375-A421 PolarHBondContact NE2-O 3.48Å; P419-A421 PolarHBondContact O-N 3.1Å |
| 422 | A | 69.8 | Low | 75.2 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 7% | 0.066 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -153.6 | 156.4 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | F373 V392 V393 I394 R420 | F373-A422 VanDerWaalsContact CE2-O 3.31Å; F373-A422 WeakPolarHBondContact CE2-O 3.39Å; V392-A422 HydrophobicContact CG1-CB 3.71Å; V393-A422 CarbonylContact O-C 3.53Å; V393-A422 WeakPolarHBondContact O-CA 3.19Å; I394-A422 HydrophobicContact CD1-CB 4.39Å; I394-A422 HydrophobicContact CG1-CB 3.79Å; R420-A422 VanDerWaalsContact C-N 3.3Å; R420-A422 PolarHBondContact O-N 3.1Å |
| 423 | S | 77.2 | Confident | 76.4 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 148.7 | 166.8 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | F373 N374 Q375 V393 | F373-S423 WeakPolarHBondContact O-CA 3.29Å; N374-S423 WeakPolarHBondContact CA-OG 3.42Å; Q375-S423 PolarHBondContact N-OG 3.09Å; V393-S423 PolarHBondContact N-O 2.98Å; V393-S423 PolarHBondContact O-N 3.48Å |
| 424 | I | 87.4 | Confident | 77.9 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.4 | 175.2 | -62 | -64.8 | 0 | 0 | 0 | 109.5 | L372 F373 V390 V392 F409 | L372-I424 HydrophobicContact CB-CB 4.2Å; L372-I424 HydrophobicContact CB-CG2 4.05Å; L372-I424 HydrophobicContact CD2-CG2 4.27Å; L372-I424 PolarHBondContact N-O 3.35Å; F373-I424 HydrophobicContact CD2-CG1 4.31Å; F373-I424 HydrophobicContact CE1-CB 4.25Å; F373-I424 HydrophobicContact CE1-CG1 3.84Å; F373-I424 HydrophobicContact CE2-CB 4.23Å; F373-I424 HydrophobicContact CE2-CG1 3.51Å; F373-I424 HydrophobicContact CZ-CB 4.06Å; F373-I424 HydrophobicContact CZ-CD1 4.41Å; F373-I424 HydrophobicContact CZ-CG1 3.24Å; F373-I424 PolarHBondContact O-N 3.43Å; V390-I424 HydrophobicContact CB-CG2 3.81Å; V390-I424 HydrophobicContact CG1-CG2 4.13Å; V390-I424 HydrophobicContact CG2-CG2 3.82Å; V392-I424 HydrophobicContact CB-CD1 4.25Å; V392-I424 HydrophobicContact CG1-CD1 4.18Å; V392-I424 HydrophobicContact CG2-CD1 3.8Å; F409-I424 HydrophobicContact CD2-CD1 4.04Å; F409-I424 HydrophobicContact CD2-CG1 3.77Å; F409-I424 HydrophobicContact CD2-CG2 4.45Å; F409-I424 HydrophobicContact CE2-CB 4.24Å; F409-I424 HydrophobicContact CE2-CD1 4.42Å; F409-I424 HydrophobicContact CE2-CG1 3.85Å; F409-I424 HydrophobicContact CE2-CG2 3.81Å; F409-I424 HydrophobicContact CG-CD1 4.34Å; F409-I424 HydrophobicContact CZ-CG2 3.91Å |
| 425 | V | 85.9 | Confident | 79 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.1 | -178.7 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | V371 V390 N391 V393 R427 | V371-V425 HydrophobicContact CG2-CG2 4.18Å; V390-V425 CarbonylContact C-O 3.53Å; V390-V425 WeakPolarHBondContact CA-O 3.47Å; N391-V425 PolarHBondContact N-O 3.07Å; N391-V425 PolarHBondContact O-N 3.29Å; N391-V425 VanDerWaalsContact O-N 3.08Å; V393-V425 HydrophobicContact CG2-CG2 4.25Å; V425-R427 PolarHBondContact O-N 3.33Å |
| 426 | L | 87.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 131.6 | 177.5 | -90.1 | 64.9 | 0 | 0 | 0 | 111.4 | H365 G369 T370 L372 V390 C431 F433 | H365-L426 HydrophobicContact CB-CD2 3.36Å; G369-L426 PolarHBondContact N-O 2.75Å; T370-L426 PolarHBondContact O-N 3.19Å; L372-L426 HydrophobicContact CD1-CD1 4.27Å; V390-L426 HydrophobicContact CG1-CD1 4.14Å; V390-L426 HydrophobicContact CG1-CG 4.32Å; L426-C431 HydrophobicContact CD2-CB 3.66Å; L426-C431 HydrophobicContact CG-CB 3.99Å; L426-F433 HydrophobicContact CD1-CE2 4.15Å; L426-F433 HydrophobicContact CD1-CZ 3.94Å; L426-F433 HydrophobicContact CG-CZ 4.27Å |
| 427 | R | 84.5 | Confident | 81.4 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | trans | -88.3 | -29.6 | 179.2 | -178.1 | 176 | -179.7 | 80.1 | 0.6 | 112.2 | G144 L146 V152 E154 T155 S389 N391 V425 | G144-R427 PolarHBondContact O-NE 3.06Å; G144-R427 PolarHBondContact O-NH2 3.38Å; L146-R427 PolarHBondContact O-NH2 3.21Å; V152-R427 PolarHBondContact O-NH1 3.27Å; V152-R427 PolarHBondContact O-NH2 3.17Å; E154-R427 WeakPolarHBondContact CA-O 3.45Å; T155-R427 PolarHBondContact N-O 3.24Å; S389-R427 WeakPolarHBondContact O-CB 3.19Å; S389-R427 PolarHBondContact O-N 3.47Å; N391-R427 PolarHBondContact OD1-NH1 3.15Å; V425-R427 PolarHBondContact O-N 3.33Å | ||
| 428 | E | 84.8 | Confident | 82.2 | Confident | 47 Ų | 47 | 22.6 Ų | 22.6 | 22% | 0.22 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -136.8 | 167.6 | -177.5 | 67.8 | -168.9 | 132.7 | 0 | 0 | 113.1 | G368 G388 S389 C431 | G368-E428 WeakPolarHBondContact CA-O 3.42Å; G388-E428 WeakPolarHBondContact CA-OE1 3.49Å; S389-E428 WeakPolarHBondContact CB-OE1 3.48Å; S389-E428 PolarHBondContact N-OE1 3.47Å; S389-E428 PolarHBondContact OG-OE1 3.31Å; E428-C431 PolarHBondContact O-SG 2.9Å |
| 429 | D | 83.9 | Confident | 83.4 | Confident | 51 Ų | 51 | 28.8 Ų | 28.8 | 27% | 0.273 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -72.1 | 154.7 | 178 | -65.2 | -24.9 | 0 | 0 | 0 | 111.1 | G156 S157 A366 K367 G368 | G156-D429 WeakPolarHBondContact CA-OD2 3.41Å; S157-D429 PolarHBondContact N-OD2 2.93Å; A366-D429 VanDerWaalsContact O-CA 3.32Å; A366-D429 WeakPolarHBondContact O-CA 3.24Å; A366-D429 VanDerWaalsContact O-CB 3.28Å; A366-D429 WeakPolarHBondContact O-CB 3.46Å; K367-D429 WeakPolarHBondContact CA-OD1 3.43Å; G368-D429 PolarHBondContact N-OD1 3.41Å |
| 430 | N | 81.3 | Confident | 84.3 | Confident | 43 Ų | 43 | 26 Ų | 26 | 23% | 0.23 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 56.2 | 49 | 175.5 | -51.9 | -52 | 0 | 0 | 0 | 114.7 | H365 A366 H432 | H365-N430 CarbonylContact O-C 3.59Å; H365-N430 WeakPolarHBondContact O-CA 3.23Å; H365-N430 PolarHBondContact O-N 3.33Å; A366-N430 PolarHBondContact O-N 2.87Å; N430-H432 PolarHBondContact O-CE1 2.8Å |
| 431 | C | 84.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 146.2 | 173 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | S364 H365 K387 L426 E428 F433 | S364-C431 WeakPolarHBondContact CA-O 3.48Å; H365-C431 PolarHBondContact N-O 2.87Å; H365-C431 PolarHBondContact O-N 3.21Å; K387-C431 CarbonylContact O-C 3.49Å; K387-C431 VanDerWaalsContact O-CA 3.26Å; K387-C431 WeakPolarHBondContact O-CA 3.35Å; L426-C431 HydrophobicContact CD2-CB 3.66Å; L426-C431 HydrophobicContact CG-CB 3.99Å; E428-C431 PolarHBondContact O-SG 2.9Å; C431-F433 HydrophobicContact CB-CE2 3.6Å; C431-F433 HydrophobicContact CB-CZ 3.59Å |
| 432 | H | 90 | Very high | 85.4 | Confident | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.3 | -179.8 | -55.1 | -19.1 | 0 | 0 | 0 | 110.3 | I183 F362 E363 L386 K387 N430 | I183-H432 WeakPolarHBondContact CG2-CE1 3.25Å; I183-H432 WeakPolarHBondContact CG2-NE2 3.29Å; F362-H432 HydrophobicContact CE2-CB 3.85Å; F362-H432 HydrophobicContact CZ-CB 4.04Å; F362-H432 AromaticContact CZ-CG 3.92Å; E363-H432 CarbonylContact O-C 3.59Å; E363-H432 WeakPolarHBondContact O-CA 3.25Å; L386-H432 HydrophobicContact CB-CB 4.1Å; L386-H432 PolarHBondContact N-O 3.32Å; K387-H432 HydrophobicContact CB-CB 3.88Å; K387-H432 VanDerWaalsContact CD-CD2 3.43Å; K387-H432 WeakPolarHBondContact CD-CD2 2.88Å; K387-H432 VanDerWaalsContact CD-NE2 3.35Å; K387-H432 WeakPolarHBondContact CD-NE2 2.93Å; K387-H432 PolarHBondContact N-O 3.19Å; K387-H432 PolarHBondContact O-N 2.84Å; N430-H432 PolarHBondContact O-CE1 2.8Å |
| 433 | F | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.8 | -175.4 | -51.8 | -84.7 | 0 | 0 | 0 | 111 | E363 H365 L372 Y383 I384 I385 V390 F409 L426 C431 | E363-F433 PolarHBondContact N-O 3.15Å; E363-F433 PolarHBondContact O-N 2.89Å; H365-F433 AromaticContact CD2-CE2 3.89Å; L372-F433 HydrophobicContact CD1-CE2 4.45Å; Y383-F433 HydrophobicContact CD1-CB 4.2Å; I384-F433 CarbonylContact O-C 3.53Å; I384-F433 VanDerWaalsContact O-CA 3.22Å; I384-F433 WeakPolarHBondContact O-CA 3.46Å; I385-F433 HydrophobicContact CB-CD1 4.46Å; I385-F433 HydrophobicContact CB-CE1 4.5Å; I385-F433 HydrophobicContact CG1-CD1 4.06Å; I385-F433 HydrophobicContact CG1-CE1 3.92Å; I385-F433 HydrophobicContact CG2-CE1 4.31Å; V390-F433 HydrophobicContact CG1-CE1 3.72Å; V390-F433 HydrophobicContact CG1-CZ 3.63Å; F409-F433 HydrophobicContact CE1-CD1 4.31Å; F409-F433 HydrophobicContact CE1-CE1 4.18Å; F409-F433 HydrophobicContact CZ-CD1 4.22Å; F409-F433 HydrophobicContact CZ-CE1 4.11Å; L426-F433 HydrophobicContact CD1-CE2 4.15Å; L426-F433 HydrophobicContact CD1-CZ 3.94Å; L426-F433 HydrophobicContact CG-CZ 4.27Å; C431-F433 HydrophobicContact CB-CE2 3.6Å; C431-F433 HydrophobicContact CB-CZ 3.59Å |
| 434 | L | 91.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.7 | 155.4 | -64.3 | 178.8 | 0 | 0 | 0 | 108.7 | L320 L339 I342 L360 I361 Y383 I384 L386 | L320-L434 HydrophobicContact CD1-CD2 3.41Å; L320-L434 VanDerWaalsContact CD1-CD2 3.41Å; L339-L434 HydrophobicContact CD2-CD1 4.39Å; I342-L434 HydrophobicContact CD1-CD1 3.51Å; L360-L434 HydrophobicContact CD1-CD1 4.44Å; L360-L434 HydrophobicContact CD2-CB 3.97Å; L360-L434 HydrophobicContact CD2-CD1 4.39Å; I361-L434 CarbonylContact O-C 3.46Å; I361-L434 WeakPolarHBondContact O-CA 3.38Å; Y383-L434 CarbonylContact C-O 3.59Å; Y383-L434 VanDerWaalsContact CA-O 3.28Å; Y383-L434 WeakPolarHBondContact CA-O 3.48Å; I384-L434 HydrophobicContact CB-CB 4.26Å; I384-L434 PolarHBondContact N-O 3.24Å; I384-L434 PolarHBondContact O-N 3.46Å; L386-L434 HydrophobicContact CD1-CD1 4.43Å; L386-L434 HydrophobicContact CD1-CD2 3.73Å; L386-L434 HydrophobicContact CD1-CG 3.7Å; L386-L434 HydrophobicContact CD2-CD1 3.97Å; L386-L434 HydrophobicContact CD2-CG 3.95Å; L386-L434 HydrophobicContact CG-CD1 4.4Å; L386-L434 HydrophobicContact CG-CD2 4.41Å; L386-L434 HydrophobicContact CG-CG 3.82Å |
| 435 | R | 93.3 | Very high | 85.6 | Confident | 58 Ų | 58 | 36 Ų | 36 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.1 | -179.5 | -169 | -176.1 | 84.8 | -166.8 | 11 | 111 | I361 E363 S381 W382 Y383 D437 | I361-R435 HydrophobicContact CB-CB 4.36Å; I361-R435 PolarHBondContact N-O 3.4Å; I361-R435 PolarHBondContact O-N 2.89Å; E363-R435 WeakPolarHBondContact OE2-CD 3.32Å; E363-R435 IonicContact OE2-CZ 2.73Å; E363-R435 IonicContact OE2-NE 2.75Å; E363-R435 IonicContact OE2-NH1 2.77Å; E363-R435 PolarHBondContact OE2-NH1 3.17Å; S381-R435 VanDerWaalsContact CB-CG 3.44Å; S381-R435 WeakPolarHBondContact OG-CD 3.44Å; W382-R435 CarbonylContact O-C 3.57Å; W382-R435 VanDerWaalsContact O-CA 3.32Å; W382-R435 WeakPolarHBondContact O-CA 3.45Å; Y383-R435 HydrophobicContact CD1-CB 4.09Å; Y383-R435 HydrophobicContact CD1-CG 3.92Å; Y383-R435 HydrophobicContact CE1-CB 4.03Å; Y383-R435 VanDerWaalsContact CE1-CD 3.44Å; Y383-R435 HydrophobicContact CE1-CG 3.54Å; Y383-R435 HydrophobicContact CE2-CG 4.48Å; Y383-R435 WeakPolarHBondContact OH-CD 3.43Å; R435-D437 IonicContact CZ-OD1 3.08Å; R435-D437 IonicContact CZ-OD2 2.66Å; R435-D437 IonicContact NE-OD1 2.82Å; R435-D437 PolarHBondContact NE-OD1 3.08Å; R435-D437 IonicContact NE-OD2 3.79Å; R435-D437 IonicContact NH2-OD1 3.71Å; R435-D437 PolarHBondContact NH2-OD1 3.23Å; R435-D437 IonicContact NH2-OD2 2.65Å; R435-D437 PolarHBondContact NH2-OD2 3.42Å |
| 436 | V | 89.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.8 | 168.5 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | L356 V359 L360 S381 W382 D440 F441 | L356-V436 HydrophobicContact CD2-CG1 4.27Å; L356-V436 HydrophobicContact CD2-CG2 3.69Å; V359-V436 HydrophobicContact CG2-CG1 4.29Å; L360-V436 HydrophobicContact CD2-CG2 3.42Å; L360-V436 VanDerWaalsContact CD2-CG2 3.42Å; L360-V436 HydrophobicContact CG-CG2 4.28Å; S381-V436 CarbonylContact C-O 3Å; S381-V436 VanDerWaalsContact CA-O 3.26Å; S381-V436 WeakPolarHBondContact CA-O 3.25Å; S381-V436 WeakPolarHBondContact CB-O 3.39Å; W382-V436 HydrophobicContact CE3-CB 4.16Å; W382-V436 HydrophobicContact CE3-CG2 3.85Å; W382-V436 HydrophobicContact CZ3-CG2 4.23Å; W382-V436 PolarHBondContact N-O 3.08Å; W382-V436 PolarHBondContact O-N 3.01Å; V436-D440 HydrophobicContact CG1-CB 4.44Å; V436-F441 HydrophobicContact CG1-CB 4.02Å |
| 437 | D | 91.3 | Very high | 84.5 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 21% | 0.214 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 153.5 | -179.3 | -66.6 | -21.1 | 0 | 0 | 0 | 111.4 | I361 S381 R435 E439 D440 F441 | I361-D437 WeakPolarHBondContact CD1-OD2 3.49Å; S381-D437 WeakPolarHBondContact CB-OD1 3.18Å; S381-D437 PolarHBondContact OG-OD1 3.27Å; R435-D437 IonicContact CZ-OD1 3.08Å; R435-D437 IonicContact CZ-OD2 2.66Å; R435-D437 IonicContact NE-OD1 2.82Å; R435-D437 PolarHBondContact NE-OD1 3.08Å; R435-D437 IonicContact NE-OD2 3.79Å; R435-D437 IonicContact NH2-OD1 3.71Å; R435-D437 PolarHBondContact NH2-OD1 3.23Å; R435-D437 IonicContact NH2-OD2 2.65Å; R435-D437 PolarHBondContact NH2-OD2 3.42Å; D437-E439 VanDerWaalsContact C-N 3.31Å; D437-E439 PolarHBondContact O-N 3.29Å; D437-D440 PolarHBondContact O-N 2.98Å; D437-F441 WeakPolarHBondContact O-CB 3.47Å; D437-F441 PolarHBondContact O-N 2.96Å |
| 438 | K | 85.6 | Confident | 83.8 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.5 | -42.9 | -173 | -172.2 | -177.4 | -173.7 | 170 | 0 | 113.3 | E378 G379 T380 L414 D417 F441 N442 | E378-K438 IonicContact OE1-NZ 3.74Å; E378-K438 PolarHBondContact OE1-NZ 2.97Å; G379-K438 WeakPolarHBondContact O-CD 3.49Å; T380-K438 WeakPolarHBondContact O-CB 3.39Å; T380-K438 PolarHBondContact O-N 2.99Å; L414-K438 HydrophobicContact CD2-CB 3.69Å; L414-K438 HydrophobicContact CD2-CG 3.91Å; D417-K438 WeakPolarHBondContact OD1-CE 3.4Å; D417-K438 IonicContact OD1-NZ 2.82Å; D417-K438 PolarHBondContact OD1-NZ 3.14Å; K438-F441 PolarHBondContact O-N 2.9Å; K438-N442 WeakPolarHBondContact O-CB 3.42Å; K438-N442 PolarHBondContact O-N 2.87Å; K438-N442 PolarHBondContact O-ND2 2.86Å |
| 439 | E | 87.3 | Confident | 83 | Confident | 164 Ų | 164 | 49.3 Ų | 49.3 | 77% | 0.766 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64 | -47 | -179.1 | -66.7 | -174.7 | 179.5 | 0 | 0 | 111.7 | D437 R443 | D437-E439 VanDerWaalsContact C-N 3.31Å; D437-E439 PolarHBondContact O-N 3.29Å; E439-R443 VanDerWaalsContact O-CB 3.28Å; E439-R443 WeakPolarHBondContact O-CB 3.47Å; E439-R443 PolarHBondContact O-N 2.95Å |
| 440 | D | 87.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 176.8 | -73.5 | -42.9 | 0 | 0 | 0 | 111.2 | V359 V436 D437 N442 R443 I444 | V359-D440 HydrophobicContact CB-CB 3.92Å; V359-D440 HydrophobicContact CG1-CB 3.97Å; V359-D440 HydrophobicContact CG2-CB 4.2Å; V436-D440 HydrophobicContact CG1-CB 4.44Å; D437-D440 PolarHBondContact O-N 2.98Å; D440-N442 PolarHBondContact O-N 2.7Å; D440-R443 PolarHBondContact O-N 3.46Å; D440-R443 IonicContact OD1-CZ 3.63Å; D440-R443 IonicContact OD1-NH1 3.36Å; D440-R443 PolarHBondContact OD1-NH1 2.8Å; D440-R443 IonicContact OD1-NH2 3.38Å; D440-R443 PolarHBondContact OD1-NH2 3.44Å; D440-I444 VanDerWaalsContact O-CG1 3.25Å; D440-I444 WeakPolarHBondContact O-CG1 3.31Å; D440-I444 PolarHBondContact O-N 3.47Å |
| 441 | F | 80.3 | Confident | 81.8 | Confident | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.8 | -49.7 | 175.9 | -178.4 | -92.2 | 0 | 0 | 0 | 111.4 | K411 L414 V415 V436 D437 K438 I444 L445 | K411-F441 HydrophobicContact CG-CZ 4.47Å; L414-F441 HydrophobicContact CB-CD1 4Å; L414-F441 HydrophobicContact CB-CE1 4.19Å; L414-F441 HydrophobicContact CD1-CB 4.11Å; L414-F441 HydrophobicContact CD1-CD1 4.13Å; L414-F441 HydrophobicContact CD1-CD2 4.08Å; L414-F441 HydrophobicContact CD1-CG 3.84Å; V415-F441 HydrophobicContact CG2-CE1 4.03Å; V415-F441 HydrophobicContact CG2-CZ 4.17Å; V436-F441 HydrophobicContact CG1-CB 4.02Å; D437-F441 WeakPolarHBondContact O-CB 3.47Å; D437-F441 PolarHBondContact O-N 2.96Å; K438-F441 PolarHBondContact O-N 2.9Å; F441-I444 PolarHBondContact O-N 3.03Å; F441-L445 HydrophobicContact CD1-CD1 4.02Å; F441-L445 HydrophobicContact CE1-CD1 3.51Å; F441-L445 HydrophobicContact CE1-CG 4.49Å; F441-L445 HydrophobicContact CZ-CD1 4.02Å; F441-L445 WeakPolarHBondContact O-CG 3.22Å; F441-L445 PolarHBondContact O-N 3.15Å |
| 442 | N | 79.4 | Confident | 81.3 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.7 | -34.5 | 178.9 | -72.2 | -24.6 | 0 | 0 | 0 | 112.3 | K438 D440 L445 R446 | K438-N442 WeakPolarHBondContact O-CB 3.42Å; K438-N442 PolarHBondContact O-N 2.87Å; K438-N442 PolarHBondContact O-ND2 2.86Å; D440-N442 PolarHBondContact O-N 2.7Å; N442-L445 PolarHBondContact O-N 3.06Å; N442-R446 WeakPolarHBondContact O-CG 3.27Å; N442-R446 PolarHBondContact O-N 3Å |
| 443 | R | 85.5 | Confident | 80.7 | Confident | 92 Ų | 92 | 54.4 Ų | 54.4 | 35% | 0.347 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 174.1 | -177 | 180 | 75.1 | -127.5 | -7.8 | 110.7 | E439 D440 L445 R446 D447 | E439-R443 VanDerWaalsContact O-CB 3.28Å; E439-R443 WeakPolarHBondContact O-CB 3.47Å; E439-R443 PolarHBondContact O-N 2.95Å; D440-R443 PolarHBondContact O-N 3.46Å; D440-R443 IonicContact OD1-CZ 3.63Å; D440-R443 IonicContact OD1-NH1 3.36Å; D440-R443 PolarHBondContact OD1-NH1 2.8Å; D440-R443 IonicContact OD1-NH2 3.38Å; D440-R443 PolarHBondContact OD1-NH2 3.44Å; R443-L445 VanDerWaalsContact C-N 3.3Å; R443-L445 PolarHBondContact O-N 3.08Å; R443-R446 PolarHBondContact O-N 3.2Å; R443-R446 VanDerWaalsContact O-N 3.12Å; R443-D447 VanDerWaalsContact CG-OD2 3.28Å; R443-D447 WeakPolarHBondContact CG-OD2 3.45Å; R443-D447 WeakPolarHBondContact O-CB 3.18Å; R443-D447 VanDerWaalsContact O-CG 3.25Å; R443-D447 PolarHBondContact O-N 3.36Å |
| 444 | I | 81.3 | Confident | 80.1 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 179.7 | -67.2 | 173 | 0 | 0 | 0 | 110.8 | V352 E355 L356 V359 D440 F441 R446 D447 V448 | V352-I444 HydrophobicContact CG1-CG2 4.24Å; V352-I444 HydrophobicContact CG2-CG2 4.41Å; E355-I444 HydrophobicContact CB-CD1 3.95Å; E355-I444 HydrophobicContact CB-CG1 3.92Å; E355-I444 HydrophobicContact CB-CG2 4.04Å; L356-I444 HydrophobicContact CD2-CD1 3.97Å; L356-I444 HydrophobicContact CG-CD1 4.4Å; V359-I444 HydrophobicContact CG1-CD1 4.41Å; V359-I444 HydrophobicContact CG2-CD1 3.57Å; D440-I444 VanDerWaalsContact O-CG1 3.25Å; D440-I444 WeakPolarHBondContact O-CG1 3.31Å; D440-I444 PolarHBondContact O-N 3.47Å; F441-I444 PolarHBondContact O-N 3.03Å; I444-R446 PolarHBondContact O-N 3.46Å; I444-D447 PolarHBondContact O-N 2.97Å; I444-V448 HydrophobicContact CG2-CG2 4.43Å; I444-V448 WeakPolarHBondContact O-CB 3.43Å; I444-V448 WeakPolarHBondContact O-CG2 3.46Å; I444-V448 PolarHBondContact O-N 2.8Å |
| 445 | L | 72.1 | Confident | 79 | Confident | 94 Ų | 94 | 63.8 Ų | 63.8 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.6 | -69.4 | 177 | 0 | 0 | 0 | 112.7 | F441 N442 R443 E449 | F441-L445 HydrophobicContact CD1-CD1 4.02Å; F441-L445 HydrophobicContact CE1-CD1 3.51Å; F441-L445 HydrophobicContact CE1-CG 4.49Å; F441-L445 HydrophobicContact CZ-CD1 4.02Å; F441-L445 WeakPolarHBondContact O-CG 3.22Å; F441-L445 PolarHBondContact O-N 3.15Å; N442-L445 PolarHBondContact O-N 3.06Å; R443-L445 VanDerWaalsContact C-N 3.3Å; R443-L445 PolarHBondContact O-N 3.08Å; L445-E449 PolarHBondContact O-N 2.88Å |
| 446 | R | 74.5 | Confident | 77.9 | Confident | 150 Ų | 150 | 66.6 Ų | 66.6 | 57% | 0.566 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67 | -42.6 | 176.7 | -72.7 | -171.9 | -55.6 | -98.4 | -1.1 | 112.4 | N442 R443 I444 V448 E449 A450 | N442-R446 WeakPolarHBondContact O-CG 3.27Å; N442-R446 PolarHBondContact O-N 3Å; R443-R446 PolarHBondContact O-N 3.2Å; R443-R446 VanDerWaalsContact O-N 3.12Å; I444-R446 PolarHBondContact O-N 3.46Å; R446-V448 VanDerWaalsContact C-N 3.33Å; R446-E449 PolarHBondContact O-N 2.71Å; R446-A450 VanDerWaalsContact O-CB 3.31Å; R446-A450 WeakPolarHBondContact O-CB 3.34Å; R446-A450 PolarHBondContact O-N 2.83Å |
| 447 | D | 74.5 | Confident | 77 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | -177.7 | -69.4 | -8 | 0 | 0 | 0 | 110.9 | R443 I444 A450 N451 | R443-D447 VanDerWaalsContact CG-OD2 3.28Å; R443-D447 WeakPolarHBondContact CG-OD2 3.45Å; R443-D447 WeakPolarHBondContact O-CB 3.18Å; R443-D447 VanDerWaalsContact O-CG 3.25Å; R443-D447 PolarHBondContact O-N 3.36Å; I444-D447 PolarHBondContact O-N 2.97Å; D447-A450 PolarHBondContact O-N 3.21Å; D447-N451 VanDerWaalsContact O-CB 3.31Å; D447-N451 WeakPolarHBondContact O-CB 3.34Å; D447-N451 VanDerWaalsContact O-CG 3.22Å; D447-N451 PolarHBondContact O-N 2.88Å; D447-N451 PolarHBondContact O-ND2 3.07Å |
| 448 | V | 70.8 | Confident | 76.3 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 171.9 | 171 | 0 | 0 | 0 | 0 | 111 | V352 I444 R446 N451 T452 | V352-V448 HydrophobicContact CG2-CG2 3.85Å; I444-V448 HydrophobicContact CG2-CG2 4.43Å; I444-V448 WeakPolarHBondContact O-CB 3.43Å; I444-V448 WeakPolarHBondContact O-CG2 3.46Å; I444-V448 PolarHBondContact O-N 2.8Å; R446-V448 VanDerWaalsContact C-N 3.33Å; V448-N451 PolarHBondContact O-N 3Å; V448-T452 PolarHBondContact O-N 2.82Å; V448-T452 PolarHBondContact O-OG1 3.05Å |
| 449 | E | 68 | Low | 75.7 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 178.1 | -166.5 | 63.8 | -153.6 | 0 | 0 | 111.8 | L445 R446 N451 T452 R454 | L445-E449 PolarHBondContact O-N 2.88Å; R446-E449 PolarHBondContact O-N 2.71Å; E449-N451 PolarHBondContact O-N 2.82Å; E449-T452 PolarHBondContact O-N 3.09Å; E449-R454 IonicContact OE1-NE 3.98Å; E449-R454 PolarHBondContact OE1-NE 3.2Å; E449-R454 IonicContact OE1-NH2 2.78Å; E449-R454 IonicContact OE2-NH2 3.6Å |
| 450 | A | 67.4 | Low | 74.7 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.7 | -26.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R446 D447 | R446-A450 VanDerWaalsContact O-CB 3.31Å; R446-A450 WeakPolarHBondContact O-CB 3.34Å; R446-A450 PolarHBondContact O-N 2.83Å; D447-A450 PolarHBondContact O-N 3.21Å |
| 451 | N | 71.6 | Confident | 74.2 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1 | 175.1 | -72.4 | -41.2 | 0 | 0 | 0 | 113.2 | D447 V448 E449 E466 K467 | D447-N451 VanDerWaalsContact O-CB 3.31Å; D447-N451 WeakPolarHBondContact O-CB 3.34Å; D447-N451 VanDerWaalsContact O-CG 3.22Å; D447-N451 PolarHBondContact O-N 2.88Å; D447-N451 PolarHBondContact O-ND2 3.07Å; V448-N451 PolarHBondContact O-N 3Å; E449-N451 PolarHBondContact O-N 2.82Å; N451-E466 CarbonylContact O-C 3.45Å; N451-E466 WeakPolarHBondContact O-CA 3.21Å; N451-K467 HydrophobicContact CB-CB 4.03Å; N451-K467 WeakPolarHBondContact O-CB 3.35Å; N451-K467 PolarHBondContact O-N 2.88Å |
| 452 | T | 75.4 | Confident | 74.1 | Confident | 27 Ų | 27 | 81 Ų | 81 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.3 | -179.6 | -59 | 0 | 0 | 0 | 0 | 110.6 | V448 E449 R454 V464 L465 | V448-T452 PolarHBondContact O-N 2.82Å; V448-T452 PolarHBondContact O-OG1 3.05Å; E449-T452 PolarHBondContact O-N 3.09Å; T452-R454 HydrophobicContact CG2-CG 4.13Å; T452-V464 HydrophobicContact CG2-CG1 3.66Å; T452-L465 CarbonylContact C-O 3.59Å; T452-L465 WeakPolarHBondContact CA-O 3.4Å |
| 453 | V | 76.4 | Confident | 73.9 | Confident | 51 Ų | 51 | 79 Ų | 79 | 31% | 0.309 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122 | 173.5 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | L455 V464 L465 Y486 | V453-L455 HydrophobicContact CG1-CD2 4.46Å; V453-V464 WeakPolarHBondContact O-CA 3.4Å; V453-L465 HydrophobicContact CB-CB 4.28Å; V453-L465 PolarHBondContact N-O 3.3Å; V453-L465 PolarHBondContact O-N 3.06Å; V453-Y486 HydrophobicContact CB-CE1 4.47Å; V453-Y486 HydrophobicContact CG2-CD1 4.19Å; V453-Y486 HydrophobicContact CG2-CE1 3.53Å |
| 454 | R | 77.6 | Confident | 73.7 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.1 | 178.2 | -59.5 | 173.4 | -176.9 | -96.5 | -2 | 109.3 | E449 T452 D461 V464 | E449-R454 IonicContact OE1-NE 3.98Å; E449-R454 PolarHBondContact OE1-NE 3.2Å; E449-R454 IonicContact OE1-NH2 2.78Å; E449-R454 IonicContact OE2-NH2 3.6Å; T452-R454 HydrophobicContact CG2-CG 4.13Å; R454-D461 IonicContact CZ-OD2 2.74Å; R454-D461 IonicContact NH1-OD2 2.72Å; R454-D461 PolarHBondContact NH1-OD2 2.9Å; R454-V464 HydrophobicContact CG-CG1 4.33Å; R454-V464 HydrophobicContact CG-CG2 4.35Å |
| 455 | L | 70.1 | Confident | 73.6 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 44% | 0.44 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.5 | 168.5 | -57.2 | -177.8 | 0 | 0 | 0 | 108.4 | V453 V462 L463 | V453-L455 HydrophobicContact CG1-CD2 4.46Å; L455-V462 HydrophobicContact CB-CG2 4.28Å; L455-V462 WeakPolarHBondContact O-CG2 3.43Å; L455-V462 PolarHBondContact O-N 3.08Å; L455-L463 HydrophobicContact CB-CB 4.14Å; L455-L463 HydrophobicContact CD1-CB 4.12Å; L455-L463 HydrophobicContact CD1-CD2 3.81Å; L455-L463 HydrophobicContact CG-CB 4.36Å; L455-L463 PolarHBondContact N-O 3.27Å; L455-L463 PolarHBondContact O-N 3.19Å |
| 456 | K | 69.4 | Low | 73.8 | Confident | 117 Ų | 117 | 72 Ų | 72 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.9 | -179.9 | -70 | -175.1 | 167 | -163.3 | 0 | 111.8 | D459 Q460 D461 | K456-D459 IonicContact NZ-OD1 3.89Å; K456-D459 PolarHBondContact NZ-OD1 2.88Å; K456-D459 VanDerWaalsContact NZ-OD1 3.07Å; K456-Q460 CarbonylContact C-O 3.55Å; K456-Q460 WeakPolarHBondContact CA-O 3.24Å; K456-D461 WeakPolarHBondContact CE-OD1 3.38Å; K456-D461 WeakPolarHBondContact CG-OD1 3.38Å |
| 457 | E | 70.6 | Confident | 73.9 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.5 | 165.1 | -67.4 | -178.1 | 162.8 | 0 | 0 | 108.1 | D459 Q460 V462 K495 | E457-D459 PolarHBondContact O-N 3.09Å; E457-Q460 PolarHBondContact N-O 2.88Å; E457-Q460 PolarHBondContact O-N 3.36Å; E457-V462 HydrophobicContact CB-CG1 3.86Å; E457-V462 HydrophobicContact CB-CG2 4.31Å; E457-V462 HydrophobicContact CG-CG1 4.29Å; E457-V462 HydrophobicContact CG-CG2 3.89Å; E457-K495 WeakPolarHBondContact OE1-CE 3.47Å; E457-K495 IonicContact OE1-NZ 3.21Å; E457-K495 PolarHBondContact OE1-NZ 2.72Å; E457-K495 WeakPolarHBondContact OE2-CE 3.06Å |
| 458 | H | 77.1 | Confident | 73.3 | Confident | 182 Ų | 182 | 67.5 Ų | 67.5 | 84% | 0.843 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 37.8 | -176.7 | -47 | 93.9 | 0 | 0 | 0 | 113.4 | Q460 | H458-Q460 PolarHBondContact O-N 2.66Š|
| 459 | D | 73.6 | Confident | 72.4 | Confident | 130 Ų | 130 | 69.4 Ų | 69.4 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 17.1 | -176.3 | -159.3 | 25.4 | 0 | 0 | 0 | 115.7 | K456 E457 | K456-D459 IonicContact NZ-OD1 3.89Å; K456-D459 PolarHBondContact NZ-OD1 2.88Å; K456-D459 VanDerWaalsContact NZ-OD1 3.07Å; E457-D459 PolarHBondContact O-N 3.09Å |
| 460 | Q | 66.4 | Low | 71.4 | Confident | 142 Ų | 142 | 68.1 Ų | 68.1 | 66% | 0.664 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 139.7 | 171 | -64.3 | -177 | -4.2 | 0 | 0 | 110 | K456 E457 H458 V462 | K456-Q460 CarbonylContact C-O 3.55Å; K456-Q460 WeakPolarHBondContact CA-O 3.24Å; E457-Q460 PolarHBondContact N-O 2.88Å; E457-Q460 PolarHBondContact O-N 3.36Å; H458-Q460 PolarHBondContact O-N 2.66Å; Q460-V462 PolarHBondContact O-N 3.49Å |
| 461 | D | 76.2 | Confident | 70.1 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 126.2 | 172.3 | -72.4 | -1.8 | 0 | 0 | 0 | 108.7 | R454 K456 V464 L933 | R454-D461 IonicContact CZ-OD2 2.74Å; R454-D461 IonicContact NH1-OD2 2.72Å; R454-D461 PolarHBondContact NH1-OD2 2.9Å; K456-D461 WeakPolarHBondContact CE-OD1 3.38Å; K456-D461 WeakPolarHBondContact CG-OD1 3.38Å; D461-V464 HydrophobicContact CB-CG2 4.45Å; D461-L933 HydrophobicContact CB-CD1 4.24Å; D461-L933 WeakPolarHBondContact O-CD2 3.43Å |
| 462 | V | 78.6 | Confident | 68.4 | Low | 16 Ų | 16 | 73 Ų | 73 | 10% | 0.097 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -21 | 178 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | L455 E457 Q460 G491 T492 K495 | L455-V462 HydrophobicContact CB-CG2 4.28Å; L455-V462 WeakPolarHBondContact O-CG2 3.43Å; L455-V462 PolarHBondContact O-N 3.08Å; E457-V462 HydrophobicContact CB-CG1 3.86Å; E457-V462 HydrophobicContact CB-CG2 4.31Å; E457-V462 HydrophobicContact CG-CG1 4.29Å; E457-V462 HydrophobicContact CG-CG2 3.89Å; Q460-V462 PolarHBondContact O-N 3.49Å; V462-G491 CarbonylContact O-C 3.59Å; V462-G491 WeakPolarHBondContact O-CA 3.45Å; V462-T492 PolarHBondContact O-N 3.14Å; V462-K495 HydrophobicContact CB-CG 4.02Å; V462-K495 HydrophobicContact CG2-CG 4.03Å |
| 463 | L | 75.9 | Confident | 66.4 | Low | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.016 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 128.6 | 172.8 | -168.4 | 71.5 | 0 | 0 | 0 | 109.7 | L455 L465 V488 S490 K495 I496 H499 | L455-L463 HydrophobicContact CB-CB 4.14Å; L455-L463 HydrophobicContact CD1-CB 4.12Å; L455-L463 HydrophobicContact CD1-CD2 3.81Å; L455-L463 HydrophobicContact CG-CB 4.36Å; L455-L463 PolarHBondContact N-O 3.27Å; L455-L463 PolarHBondContact O-N 3.19Å; L463-L465 HydrophobicContact CD2-CD1 4.48Å; L463-L465 HydrophobicContact CD2-CD2 3.91Å; L463-L465 HydrophobicContact CD2-CG 4.28Å; L463-L465 HydrophobicContact CG-CD2 3.98Å; L463-L465 HydrophobicContact CG-CG 4.36Å; L463-V488 HydrophobicContact CD1-CG1 3.85Å; L463-S490 WeakPolarHBondContact CA-O 3.4Å; L463-K495 HydrophobicContact CB-CB 4.41Å; L463-I496 HydrophobicContact CD1-CG1 4Å; L463-H499 HydrophobicContact CD2-CB 3.82Å |
| 464 | V | 80.1 | Confident | 64.1 | Low | 14 Ų | 14 | 85.1 Ų | 85.1 | 9% | 0.085 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.3 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | T452 V453 R454 D461 M489 S490 | T452-V464 HydrophobicContact CG2-CG1 3.66Å; V453-V464 WeakPolarHBondContact O-CA 3.4Å; R454-V464 HydrophobicContact CG-CG1 4.33Å; R454-V464 HydrophobicContact CG-CG2 4.35Å; D461-V464 HydrophobicContact CB-CG2 4.45Å; V464-M489 HydrophobicContact CB-CB 4.49Å; V464-M489 HydrophobicContact CG1-CB 4.37Å; V464-M489 PolarHBondContact O-N 3.2Å; V464-S490 PolarHBondContact N-O 3.44Å; V464-S490 PolarHBondContact O-N 2.84Å |
| 465 | L | 79.7 | Confident | 61.9 | Low | 14 Ų | 14 | 84.5 Ų | 84.5 | 7% | 0.073 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.1 | 178.4 | -53.1 | 177.3 | 0 | 0 | 0 | 109.4 | T452 V453 L463 Y486 T487 V488 | T452-L465 CarbonylContact C-O 3.59Å; T452-L465 WeakPolarHBondContact CA-O 3.4Å; V453-L465 HydrophobicContact CB-CB 4.28Å; V453-L465 PolarHBondContact N-O 3.3Å; V453-L465 PolarHBondContact O-N 3.06Å; L463-L465 HydrophobicContact CD2-CD1 4.48Å; L463-L465 HydrophobicContact CD2-CD2 3.91Å; L463-L465 HydrophobicContact CD2-CG 4.28Å; L463-L465 HydrophobicContact CG-CD2 3.98Å; L463-L465 HydrophobicContact CG-CG 4.36Å; L465-Y486 HydrophobicContact CB-CD1 4.23Å; L465-T487 CarbonylContact C-O 3.51Å; L465-T487 VanDerWaalsContact CA-O 3.28Å; L465-T487 WeakPolarHBondContact CA-O 3.38Å; L465-V488 HydrophobicContact CD2-CB 4.17Å; L465-V488 HydrophobicContact CD2-CG2 3.72Å |
| 466 | E | 76.9 | Confident | 60.2 | Low | 16 Ų | 16 | 88.4 Ų | 88.4 | 8% | 0.075 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.9 | 171.9 | -170.9 | 179.7 | 167.6 | 0 | 0 | 109.4 | T351 N451 V468 Y486 T487 M489 | T351-E466 WeakPolarHBondContact CB-OE1 3.5Å; T351-E466 WeakPolarHBondContact CG2-OE1 3.38Å; T351-E466 PolarHBondContact OG1-OE1 2.92Å; N451-E466 CarbonylContact O-C 3.45Å; N451-E466 WeakPolarHBondContact O-CA 3.21Å; E466-V468 PolarHBondContact O-N 3.43Å; E466-Y486 CarbonylContact O-C 3.5Å; E466-Y486 WeakPolarHBondContact O-CA 3.31Å; E466-T487 PolarHBondContact N-O 3.44Å; E466-T487 PolarHBondContact O-N 3.29Å; E466-T487 PolarHBondContact O-OG1 3.41Å; E466-M489 HydrophobicContact CB-CG 3.61Å; E466-M489 HydrophobicContact CB-SD 3.95Å; E466-M489 WeakPolarHBondContact OE2-CE 3.41Å |
| 467 | K | 74.9 | Confident | 58.6 | Low | 56 Ų | 56 | 91.5 Ų | 91.5 | 24% | 0.243 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.8 | 176.9 | -169.9 | 179.1 | -174.4 | 173.9 | 0 | 109.5 | N451 P469 Y486 | N451-K467 HydrophobicContact CB-CB 4.03Å; N451-K467 WeakPolarHBondContact O-CB 3.35Å; N451-K467 PolarHBondContact O-N 2.88Å; K467-P469 WeakPolarHBondContact O-CD 3.42Å; K467-Y486 HydrophobicContact CB-CD1 4.06Å; K467-Y486 HydrophobicContact CB-CE1 3.78Å; K467-Y486 HydrophobicContact CG-CE1 4.25Å |
| 468 | V | 62.6 | Low | 56.7 | Low | 62 Ų | 62 | 90.9 Ų | 90.9 | 38% | 0.376 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 122.9 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | E466 A470 K485 T487 | E466-V468 PolarHBondContact O-N 3.43Å; V468-A470 PolarHBondContact O-N 3.22Å; V468-K485 WeakPolarHBondContact CB-O 3.35Å; V468-K485 PolarHBondContact N-O 2.98Å; V468-T487 HydrophobicContact CG2-CG2 3.28Å; V468-T487 WeakPolarHBondContact CG2-OG1 3.38Å |
| 469 | P | 52.7 | Low | 54.5 | Low | 72 Ų | 72 | 91.2 Ų | 91.2 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 126.7 | 170.4 | -17.7 | 29.7 | 0 | 0 | 0 | 108.4 | K467 G471 | K467-P469 WeakPolarHBondContact O-CD 3.42Å; P469-G471 PolarHBondContact O-N 2.92Å |
| 470 | A | 45.5 | Very low | 52.5 | Low | 74 Ų | 74 | 89.9 Ų | 89.9 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | trans | -61.1 | 103.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | V468 N472 | V468-A470 PolarHBondContact O-N 3.22Å; A470-N472 PolarHBondContact O-N 2.98Å; A470-N472 VanDerWaalsContact O-N 3.12Å | ||
| 471 | G | 41.5 | Very low | 50.7 | Low | 67 Ų | 67 | 91.8 Ų | 91.8 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | trans | -60.1 | 117.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | P469 R473 | P469-G471 PolarHBondContact O-N 2.92Å; G471-R473 PolarHBondContact O-N 2.89Å | ||
| 472 | N | 35.6 | Very low | 48.8 | Very low | 165 Ų | 165 | 94.9 Ų | 94.9 | 88% | 0.882 | 56% | 0.559 | S | S | * | * | trans | -67.7 | 67.9 | 174.8 | -90.6 | -0.4 | 0 | 0 | 0 | 110.3 | A470 A474 | A470-N472 PolarHBondContact O-N 2.98Å; A470-N472 VanDerWaalsContact O-N 3.12Å; N472-A474 VanDerWaalsContact C-N 3.31Å; N472-A474 PolarHBondContact O-N 2.81Å | ||
| 473 | R | 33.3 | Very low | 47 | Very low | 237 Ų | 237 | 100.7 Ų | 100.7 | 89% | 0.894 | 59% | 0.586 | S | S | * | * | trans | -81.1 | 89.3 | 157.7 | -76.4 | -170.6 | 177.1 | -174.6 | -0.5 | 106.7 | G471 S475 | G471-R473 PolarHBondContact O-N 2.89Å; R473-S475 VanDerWaalsContact C-N 3.26Å; R473-S475 PolarHBondContact O-N 3.23Å | ||
| 474 | A | 28.4 | Very low | 45.6 | Very low | 96 Ų | 96 | 107 Ų | 107 | 79% | 0.793 | 62% | 0.615 | S | S | * | * | trans | -64 | 87.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N472 | N472-A474 VanDerWaalsContact C-N 3.31Å; N472-A474 PolarHBondContact O-N 2.81Å | ||
| 475 | S | 31.7 | Very low | 44.9 | Very low | 102 Ų | 102 | 112 Ų | 112 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | trans | -89.2 | 110.5 | 151.1 | 54.8 | 0 | 0 | 0 | 0 | 107.2 | R473 Q477 | R473-S475 VanDerWaalsContact C-N 3.26Å; R473-S475 PolarHBondContact O-N 3.23Å; S475-Q477 VanDerWaalsContact C-N 3.29Å; S475-Q477 PolarHBondContact O-N 2.98Å | ||
| 476 | N | 34.8 | Very low | 44.7 | Very low | 165 Ų | 165 | 115.8 Ų | 115.8 | 88% | 0.882 | 65% | 0.65 | S | S | * | * | trans | -57.3 | 86 | 171.4 | -86.5 | -18.5 | 0 | 0 | 0 | 110.9 | ||||
| 477 | Q | 35.4 | Very low | 45 | Very low | 182 Ų | 182 | 116.5 Ų | 116.5 | 85% | 0.85 | 66% | 0.655 | S | S | * | * | trans | -148.9 | 110.8 | 157 | -72.4 | -164.6 | -6.7 | 0 | 0 | 110.3 | S475 | S475-Q477 VanDerWaalsContact C-N 3.29Å; S475-Q477 PolarHBondContact O-N 2.98Å | ||
| 478 | G | 30.2 | Very low | 45.6 | Very low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | trans | 70.7 | 117.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | S480 | G478-S480 PolarHBondContact O-N 3.37Å; G478-S480 PolarHBondContact O-OG 3.16Å | ||
| 479 | N | 30.6 | Very low | 46.7 | Very low | 189 Ų | 189 | 112.3 Ų | 112.3 | 100% | 1.011 | 63% | 0.633 | S | S | * | * | trans | -37 | 82.9 | 165.2 | -110.1 | 7.6 | 0 | 0 | 0 | 115.4 | ||||
| 480 | S | 31.9 | Very low | 48.4 | Very low | 103 Ų | 103 | 109.6 Ų | 109.6 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | trans | -136.3 | 126.2 | 160.1 | 52 | 0 | 0 | 0 | 0 | 107.3 | G478 | G478-S480 PolarHBondContact O-N 3.37Å; G478-S480 PolarHBondContact O-OG 3.16Å | ||
| 481 | Q | 29 | Very low | 50.4 | Low | 182 Ų | 182 | 106.1 Ų | 106.1 | 85% | 0.85 | 59% | 0.587 | S | S | * | * | trans | -53.6 | 135.4 | 179.8 | -72.6 | -179 | -17.8 | 0 | 0 | 109.6 | Q483 | Q481-Q483 PolarHBondContact O-N 3.45Š| ||
| 482 | P | 35.3 | Very low | 52.8 | Low | 107 Ų | 107 | 104.6 Ų | 104.6 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | trans | -63.3 | 104.5 | 173.6 | 24.5 | -30.5 | 0 | 0 | 0 | 108.5 | Q484 | P482-Q484 PolarHBondContact O-N 2.73Å; P482-Q484 VanDerWaalsContact O-N 3.11Å | ||
| 483 | Q | 42.5 | Very low | 55.5 | Low | 139 Ų | 139 | 97.8 Ų | 97.8 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | trans | -61.2 | 115.4 | 173.9 | -94.2 | 176.5 | -22.9 | 0 | 0 | 108.7 | Q481 K485 | Q481-Q483 PolarHBondContact O-N 3.45Å; Q483-K485 PolarHBondContact O-N 3.4Å | ||
| 484 | Q | 45.5 | Very low | 58.1 | Low | 135 Ų | 135 | 91.2 Ų | 91.2 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | trans | -62 | 122 | 179.7 | -62 | 174.4 | 9.9 | 0 | 0 | 109.1 | P482 | P482-Q484 PolarHBondContact O-N 2.73Å; P482-Q484 VanDerWaalsContact O-N 3.11Å | ||
| 485 | K | 64.3 | Low | 60.8 | Low | 118 Ų | 118 | 88.3 Ų | 88.3 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | trans | -106.7 | 122.2 | -173.1 | -163.9 | 175.8 | -176.2 | 177.7 | 0 | 110.2 | V468 Q483 | V468-K485 WeakPolarHBondContact CB-O 3.35Å; V468-K485 PolarHBondContact N-O 2.98Å; Q483-K485 PolarHBondContact O-N 3.4Å | ||
| 486 | Y | 76.1 | Confident | 63.4 | Low | 95 Ų | 95 | 83.4 Ų | 83.4 | 37% | 0.373 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 146.1 | 169.6 | -71.4 | -86.1 | 0 | 0 | 0 | 110.1 | V453 L465 E466 K467 | V453-Y486 HydrophobicContact CB-CE1 4.47Å; V453-Y486 HydrophobicContact CG2-CD1 4.19Å; V453-Y486 HydrophobicContact CG2-CE1 3.53Å; L465-Y486 HydrophobicContact CB-CD1 4.23Å; E466-Y486 CarbonylContact O-C 3.5Å; E466-Y486 WeakPolarHBondContact O-CA 3.31Å; K467-Y486 HydrophobicContact CB-CD1 4.06Å; K467-Y486 HydrophobicContact CB-CE1 3.78Å; K467-Y486 HydrophobicContact CG-CE1 4.25Å |
| 487 | T | 84.3 | Confident | 66 | Low | 31 Ų | 31 | 75.6 Ų | 75.6 | 19% | 0.19 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.3 | 173.8 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | L465 E466 V468 M489 | L465-T487 CarbonylContact C-O 3.51Å; L465-T487 VanDerWaalsContact CA-O 3.28Å; L465-T487 WeakPolarHBondContact CA-O 3.38Å; E466-T487 PolarHBondContact N-O 3.44Å; E466-T487 PolarHBondContact O-N 3.29Å; E466-T487 PolarHBondContact O-OG1 3.41Å; V468-T487 HydrophobicContact CG2-CG2 3.28Å; V468-T487 WeakPolarHBondContact CG2-OG1 3.38Å; T487-M489 PolarHBondContact O-N 3.17Å |
| 488 | V | 86.3 | Confident | 68.2 | Low | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 127.3 | 173.2 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | L463 L465 I496 H499 F500 F936 R940 | L463-V488 HydrophobicContact CD1-CG1 3.85Å; L465-V488 HydrophobicContact CD2-CB 4.17Å; L465-V488 HydrophobicContact CD2-CG2 3.72Å; V488-I496 HydrophobicContact CG1-CG1 4.23Å; V488-H499 WeakPolarHBondContact CG2-CD2 3.2Å; V488-F500 HydrophobicContact CG2-CE2 4.28Å; V488-F500 HydrophobicContact CG2-CZ 4.37Å; V488-F936 HydrophobicContact CB-CB 4.39Å; V488-F936 HydrophobicContact CB-CD1 3.89Å; V488-F936 HydrophobicContact CB-CG 4.28Å; V488-F936 HydrophobicContact CG1-CB 3.8Å; V488-F936 HydrophobicContact CG1-CD1 4.13Å; V488-F936 HydrophobicContact CG1-CG 4Å; V488-R940 PolarHBondContact O-NH2 2.86Å |
| 489 | M | 86.3 | Confident | 70.7 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -49.4 | 174.6 | -61.1 | -52.8 | -72.7 | 0 | 0 | 110.7 | V464 E466 T487 F936 E937 | V464-M489 HydrophobicContact CB-CB 4.49Å; V464-M489 HydrophobicContact CG1-CB 4.37Å; V464-M489 PolarHBondContact O-N 3.2Å; E466-M489 HydrophobicContact CB-CG 3.61Å; E466-M489 HydrophobicContact CB-SD 3.95Å; E466-M489 WeakPolarHBondContact OE2-CE 3.41Å; T487-M489 PolarHBondContact O-N 3.17Å; M489-F936 WeakPolarHBondContact O-CA 3.39Å; M489-F936 PolarHBondContact O-N 2.93Å; M489-E937 HydrophobicContact CE-CB 4.02Å; M489-E937 HydrophobicContact CE-CG 4.05Å; M489-E937 PolarHBondContact O-N 3.32Å; M489-E937 VanDerWaalsContact O-N 3.14Å |
| 490 | S | 89.1 | Confident | 73.3 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 161 | 173.8 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | L463 V464 V934 | L463-S490 WeakPolarHBondContact CA-O 3.4Å; V464-S490 PolarHBondContact N-O 3.44Å; V464-S490 PolarHBondContact O-N 2.84Å; S490-V934 WeakPolarHBondContact CA-O 3.48Å; S490-V934 VanDerWaalsContact CB-O 3.26Å; S490-V934 WeakPolarHBondContact CB-O 3.46Å |
| 491 | G | 86.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V462 I496 V934 | V462-G491 CarbonylContact O-C 3.59Å; V462-G491 WeakPolarHBondContact O-CA 3.45Å; G491-I496 WeakPolarHBondContact O-CD1 3.41Å; G491-V934 PolarHBondContact N-O 3.37Å; G491-V934 VanDerWaalsContact N-O 3.16Å; G491-V934 WeakPolarHBondContact O-CB 3.22Å; G491-V934 PolarHBondContact O-N 3.28Å |
| 492 | T | 90.7 | Very high | 77.8 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | trans | -72.3 | 151.8 | 170.5 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | V462 E494 K495 I496 L933 | V462-T492 PolarHBondContact O-N 3.14Å; T492-E494 PolarHBondContact O-N 3.32Å; T492-K495 PolarHBondContact O-N 3.03Å; T492-K495 WeakPolarHBondContact OG1-CB 3.46Å; T492-K495 WeakPolarHBondContact OG1-CG 3.32Å; T492-K495 PolarHBondContact OG1-N 3.21Å; T492-I496 WeakPolarHBondContact O-CB 3.34Å; T492-I496 VanDerWaalsContact O-CG1 3.26Å; T492-I496 WeakPolarHBondContact O-CG1 3.35Å; T492-I496 PolarHBondContact O-N 3.17Å; T492-L933 HydrophobicContact CG2-CD2 3.72Å | ||
| 493 | P | 93.9 | Very high | 79.9 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -49 | -44.4 | 177.2 | -29.9 | 37.3 | 0 | 0 | 0 | 113.6 | L497 F528 M529 V934 | P493-L497 PolarHBondContact O-N 3.27Å; P493-F528 HydrophobicContact CB-CD2 4.09Å; P493-F528 HydrophobicContact CG-CD2 4.27Å; P493-F528 WeakPolarHBondContact CG-O 3.37Å; P493-M529 HydrophobicContact CB-CB 4.08Å; P493-M529 HydrophobicContact CB-CG 4.09Å; P493-M529 HydrophobicContact CB-SD 4.2Å; P493-V934 HydrophobicContact CG-CG2 4.06Å |
| 494 | E | 87.3 | Confident | 81.6 | Confident | 100 Ų | 100 | 42 Ų | 42 | 47% | 0.467 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.7 | -46.5 | -179.5 | -63.1 | 73.5 | -161.1 | 0 | 0 | 111.7 | T492 I496 L497 E498 | T492-E494 PolarHBondContact O-N 3.32Å; E494-I496 VanDerWaalsContact C-N 3.35Å; E494-I496 PolarHBondContact O-N 3.23Å; E494-L497 WeakPolarHBondContact O-CB 3.3Å; E494-L497 PolarHBondContact O-N 3.26Å; E494-E498 WeakPolarHBondContact O-CB 3.35Å; E494-E498 PolarHBondContact O-N 3.12Å |
| 495 | K | 84.5 | Confident | 83 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 15% | 0.148 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.3 | -31.4 | 179 | -72.3 | -53.2 | -170.8 | -178.4 | 0 | 113.6 | E457 V462 L463 T492 E498 H499 | E457-K495 WeakPolarHBondContact OE1-CE 3.47Å; E457-K495 IonicContact OE1-NZ 3.21Å; E457-K495 PolarHBondContact OE1-NZ 2.72Å; E457-K495 WeakPolarHBondContact OE2-CE 3.06Å; V462-K495 HydrophobicContact CB-CG 4.02Å; V462-K495 HydrophobicContact CG2-CG 4.03Å; L463-K495 HydrophobicContact CB-CB 4.41Å; T492-K495 PolarHBondContact O-N 3.03Å; T492-K495 WeakPolarHBondContact OG1-CB 3.46Å; T492-K495 WeakPolarHBondContact OG1-CG 3.32Å; T492-K495 PolarHBondContact OG1-N 3.21Å; K495-E498 WeakPolarHBondContact CD-OE2 3.44Å; K495-E498 WeakPolarHBondContact CE-OE2 3.31Å; K495-E498 IonicContact NZ-OE1 2.57Å; K495-E498 PolarHBondContact NZ-OE1 3.19Å; K495-E498 IonicContact NZ-OE2 3.24Å; K495-E498 PolarHBondContact NZ-OE2 3.22Å; K495-H499 VanDerWaalsContact O-CB 3.29Å; K495-H499 WeakPolarHBondContact O-CB 3.46Å; K495-H499 PolarHBondContact O-N 3.26Å |
| 496 | I | 86.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 171.6 | -68.2 | 171.5 | 0 | 0 | 0 | 109.5 | L463 V488 G491 T492 E494 H499 F500 F521 F528 V934 F936 | L463-I496 HydrophobicContact CD1-CG1 4Å; V488-I496 HydrophobicContact CG1-CG1 4.23Å; G491-I496 WeakPolarHBondContact O-CD1 3.41Å; T492-I496 WeakPolarHBondContact O-CB 3.34Å; T492-I496 VanDerWaalsContact O-CG1 3.26Å; T492-I496 WeakPolarHBondContact O-CG1 3.35Å; T492-I496 PolarHBondContact O-N 3.17Å; E494-I496 VanDerWaalsContact C-N 3.35Å; E494-I496 PolarHBondContact O-N 3.23Å; I496-H499 PolarHBondContact O-N 3.19Å; I496-F500 HydrophobicContact CG2-CD2 3.73Å; I496-F500 HydrophobicContact CG2-CE2 3.73Å; I496-F500 VanDerWaalsContact O-CD2 3.22Å; I496-F500 WeakPolarHBondContact O-CD2 3.42Å; I496-F500 PolarHBondContact O-N 2.87Å; I496-F521 HydrophobicContact CG2-CD2 3.71Å; I496-F521 HydrophobicContact CG2-CE2 3.98Å; I496-F528 HydrophobicContact CG2-CE2 4.47Å; I496-F528 HydrophobicContact CG2-CZ 4.42Å; I496-V934 HydrophobicContact CD1-CB 3.79Å; I496-V934 HydrophobicContact CD1-CG1 4.21Å; I496-V934 HydrophobicContact CD1-CG2 4.35Å; I496-F936 HydrophobicContact CD1-CB 4.48Å; I496-F936 HydrophobicContact CD1-CD2 4.08Å; I496-F936 HydrophobicContact CG2-CD2 4Å; I496-F936 HydrophobicContact CG2-CE2 3.9Å |
| 497 | L | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | 176.3 | 171.4 | 62.3 | 0 | 0 | 0 | 111.8 | P493 E494 H499 F500 L501 F521 M529 L534 A537 L538 L568 | P493-L497 PolarHBondContact O-N 3.27Å; E494-L497 WeakPolarHBondContact O-CB 3.3Å; E494-L497 PolarHBondContact O-N 3.26Å; L497-H499 PolarHBondContact O-N 2.96Å; L497-F500 PolarHBondContact O-N 2.98Å; L497-L501 HydrophobicContact CD1-CD1 3.94Å; L497-L501 HydrophobicContact CD1-CG 4.1Å; L497-L501 HydrophobicContact CG-CD1 4.02Å; L497-L501 WeakPolarHBondContact O-CG 3.45Å; L497-L501 PolarHBondContact O-N 2.95Å; L497-F521 HydrophobicContact CB-CE2 4.18Å; L497-F521 HydrophobicContact CB-CZ 3.95Å; L497-F521 HydrophobicContact CD1-CE1 3.88Å; L497-F521 HydrophobicContact CD1-CZ 3.67Å; L497-F521 HydrophobicContact CG-CZ 4.36Å; L497-M529 HydrophobicContact CB-SD 4.32Å; L497-M529 HydrophobicContact CD2-CE 3.9Å; L497-M529 HydrophobicContact CD2-SD 4.18Å; L497-L534 HydrophobicContact CD1-CD1 4.07Å; L497-L534 HydrophobicContact CD2-CD1 4.01Å; L497-A537 HydrophobicContact CD2-CB 3.76Å; L497-L538 HydrophobicContact CD1-CD2 3.98Å; L497-L538 HydrophobicContact CD2-CD2 4.46Å; L497-L568 HydrophobicContact CD1-CD2 3.57Å |
| 498 | E | 81.1 | Confident | 83 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.7 | -50.3 | 178 | -174.4 | -178.7 | 148.7 | 0 | 0 | 110.9 | E494 K495 F500 L501 E502 | E494-E498 WeakPolarHBondContact O-CB 3.35Å; E494-E498 PolarHBondContact O-N 3.12Å; K495-E498 WeakPolarHBondContact CD-OE2 3.44Å; K495-E498 WeakPolarHBondContact CE-OE2 3.31Å; K495-E498 IonicContact NZ-OE1 2.57Å; K495-E498 PolarHBondContact NZ-OE1 3.19Å; K495-E498 IonicContact NZ-OE2 3.24Å; K495-E498 PolarHBondContact NZ-OE2 3.22Å; E498-F500 PolarHBondContact O-N 2.73Å; E498-L501 PolarHBondContact O-N 3.06Å; E498-L501 VanDerWaalsContact O-N 3.17Å; E498-E502 WeakPolarHBondContact O-CG 3.33Å; E498-E502 PolarHBondContact O-N 3.27Å |
| 499 | H | 82.9 | Confident | 82.3 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 178 | -179.6 | 77.5 | 0 | 0 | 0 | 112.7 | L463 V488 K495 I496 L497 E502 T503 | L463-H499 HydrophobicContact CD2-CB 3.82Å; V488-H499 WeakPolarHBondContact CG2-CD2 3.2Å; K495-H499 VanDerWaalsContact O-CB 3.29Å; K495-H499 WeakPolarHBondContact O-CB 3.46Å; K495-H499 PolarHBondContact O-N 3.26Å; I496-H499 PolarHBondContact O-N 3.19Å; L497-H499 PolarHBondContact O-N 2.96Å; H499-E502 PolarHBondContact O-N 3.42Å; H499-T503 WeakPolarHBondContact O-CB 3.29Å; H499-T503 VanDerWaalsContact O-CG2 3.26Å; H499-T503 WeakPolarHBondContact O-CG2 3.46Å; H499-T503 PolarHBondContact O-N 3.48Å; H499-T503 VanDerWaalsContact O-N 3.09Å; H499-T503 PolarHBondContact O-OG1 3.36Å |
| 500 | F | 84.9 | Confident | 81.7 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 177.6 | -83.9 | -67.8 | 0 | 0 | 0 | 112 | V488 I496 L497 E498 T503 I504 V517 L518 F521 F936 | V488-F500 HydrophobicContact CG2-CE2 4.28Å; V488-F500 HydrophobicContact CG2-CZ 4.37Å; I496-F500 HydrophobicContact CG2-CD2 3.73Å; I496-F500 HydrophobicContact CG2-CE2 3.73Å; I496-F500 VanDerWaalsContact O-CD2 3.22Å; I496-F500 WeakPolarHBondContact O-CD2 3.42Å; I496-F500 PolarHBondContact O-N 2.87Å; L497-F500 PolarHBondContact O-N 2.98Å; E498-F500 PolarHBondContact O-N 2.73Å; F500-T503 PolarHBondContact O-OG1 3.47Å; F500-I504 WeakPolarHBondContact O-CG1 3.37Å; F500-I504 PolarHBondContact O-N 3.24Å; F500-V517 HydrophobicContact CD1-CG1 4Å; F500-V517 HydrophobicContact CE1-CG1 3.76Å; F500-V517 VanDerWaalsContact CE1-O 3.27Å; F500-V517 WeakPolarHBondContact CE1-O 3.39Å; F500-L518 HydrophobicContact CB-CD2 4.1Å; F500-L518 HydrophobicContact CD1-CD2 4.07Å; F500-L518 HydrophobicContact CG-CD2 4.49Å; F500-F521 HydrophobicContact CD1-CB 4.49Å; F500-F521 HydrophobicContact CD2-CB 3.72Å; F500-F521 AromaticContact CD2-CD2 3.81Å; F500-F521 HydrophobicContact CD2-CD2 3.81Å; F500-F521 AromaticContact CD2-CG 3.93Å; F500-F521 HydrophobicContact CD2-CG 3.93Å; F500-F521 HydrophobicContact CE2-CB 3.83Å; F500-F521 HydrophobicContact CE2-CD2 4.25Å; F500-F521 HydrophobicContact CE2-CG 4.4Å; F500-F521 HydrophobicContact CG-CB 4.08Å; F500-F521 HydrophobicContact CG-CG 4.38Å; F500-F521 HydrophobicContact CZ-CB 4.25Å; F500-F936 AromaticContact CE2-CE1 3.72Å; F500-F936 HydrophobicContact CE2-CE1 3.72Å; F500-F936 AromaticContact CE2-CE2 3.98Å; F500-F936 HydrophobicContact CE2-CE2 3.98Å; F500-F936 AromaticContact CE2-CZ 3.39Å; F500-F936 HydrophobicContact CE2-CZ 3.39Å; F500-F936 AromaticContact CZ-CE1 3.54Å; F500-F936 HydrophobicContact CZ-CE1 3.54Å; F500-F936 AromaticContact CZ-CZ 3.56Å; F500-F936 HydrophobicContact CZ-CZ 3.56Å |
| 501 | L | 78.7 | Confident | 81 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 174.4 | -78.1 | 170.5 | 0 | 0 | 0 | 111.8 | L497 E498 T503 I504 H541 R564 V565 L568 | L497-L501 HydrophobicContact CD1-CD1 3.94Å; L497-L501 HydrophobicContact CD1-CG 4.1Å; L497-L501 HydrophobicContact CG-CD1 4.02Å; L497-L501 WeakPolarHBondContact O-CG 3.45Å; L497-L501 PolarHBondContact O-N 2.95Å; E498-L501 PolarHBondContact O-N 3.06Å; E498-L501 VanDerWaalsContact O-N 3.17Å; L501-T503 VanDerWaalsContact C-N 3.3Å; L501-T503 PolarHBondContact O-N 2.82Å; L501-I504 HydrophobicContact CD2-CD1 4.26Å; L501-I504 WeakPolarHBondContact O-CB 3.45Å; L501-I504 PolarHBondContact O-N 2.95Å; L501-H541 HydrophobicContact CD1-CB 3.98Å; L501-R564 VanDerWaalsContact O-CD 3.3Å; L501-R564 WeakPolarHBondContact O-CD 3.29Å; L501-V565 HydrophobicContact CD1-CG2 4.33Å; L501-V565 HydrophobicContact CD2-CB 4.43Å; L501-V565 HydrophobicContact CD2-CG2 3.9Å; L501-L568 HydrophobicContact CD2-CB 4Å; L501-L568 HydrophobicContact CD2-CD2 3.56Å; L501-L568 HydrophobicContact CD2-CG 4.39Å; L501-L568 HydrophobicContact CG-CD2 3.99Å |
| 502 | E | 78 | Confident | 80.5 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 47% | 0.467 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.7 | -32.8 | -177.5 | -71.6 | -176.6 | 157.8 | 0 | 0 | 113.3 | E498 H499 I504 | E498-E502 WeakPolarHBondContact O-CG 3.33Å; E498-E502 PolarHBondContact O-N 3.27Å; H499-E502 PolarHBondContact O-N 3.42Å; E502-I504 VanDerWaalsContact C-N 3.32Å |
| 503 | T | 79.3 | Confident | 79.7 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.5 | -179.1 | 55.3 | 0 | 0 | 0 | 0 | 114 | H499 F500 L501 R505 | H499-T503 WeakPolarHBondContact O-CB 3.29Å; H499-T503 VanDerWaalsContact O-CG2 3.26Å; H499-T503 WeakPolarHBondContact O-CG2 3.46Å; H499-T503 PolarHBondContact O-N 3.48Å; H499-T503 VanDerWaalsContact O-N 3.09Å; H499-T503 PolarHBondContact O-OG1 3.36Å; F500-T503 PolarHBondContact O-OG1 3.47Å; L501-T503 VanDerWaalsContact C-N 3.3Å; L501-T503 PolarHBondContact O-N 2.82Å; T503-R505 PolarHBondContact O-N 3.26Å |
| 504 | I | 76.9 | Confident | 78.9 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | trans | -62 | 122.2 | 173.7 | -72.8 | 169.1 | 0 | 0 | 0 | 110.1 | F500 L501 E502 L506 T514 L518 R564 R567 L568 | F500-I504 WeakPolarHBondContact O-CG1 3.37Å; F500-I504 PolarHBondContact O-N 3.24Å; L501-I504 HydrophobicContact CD2-CD1 4.26Å; L501-I504 WeakPolarHBondContact O-CB 3.45Å; L501-I504 PolarHBondContact O-N 2.95Å; E502-I504 VanDerWaalsContact C-N 3.32Å; I504-L506 HydrophobicContact CG2-CD2 3.93Å; I504-T514 HydrophobicContact CB-CG2 4.37Å; I504-T514 HydrophobicContact CG1-CG2 4.25Å; I504-T514 HydrophobicContact CG2-CG2 4Å; I504-L518 HydrophobicContact CD1-CD1 3.88Å; I504-L518 HydrophobicContact CD1-CD2 4.01Å; I504-L518 HydrophobicContact CG1-CD1 3.93Å; I504-L518 HydrophobicContact CG1-CD2 3.8Å; I504-L518 HydrophobicContact CG1-CG 4.25Å; I504-R564 HydrophobicContact CB-CB 4.22Å; I504-R564 HydrophobicContact CB-CG 3.9Å; I504-R564 HydrophobicContact CD1-CB 4.2Å; I504-R564 WeakPolarHBondContact CD1-O 3.48Å; I504-R564 HydrophobicContact CG2-CB 4.24Å; I504-R564 HydrophobicContact CG2-CG 3.87Å; I504-R567 HydrophobicContact CG2-CB 4.38Å; I504-R567 HydrophobicContact CG2-CG 4.23Å; I504-L568 HydrophobicContact CD1-CB 4.11Å | ||
| 505 | R | 76.8 | Confident | 78.4 | Confident | 103 Ų | 103 | 55 Ų | 55 | 39% | 0.389 | 29% | 0.294 | S | S | . | . | trans | -95.2 | 124.4 | 170.9 | -58.8 | -172 | -178.3 | -163.5 | 2.9 | 109.5 | T503 E507 L510 T514 | T503-R505 PolarHBondContact O-N 3.26Å; R505-E507 VanDerWaalsContact C-N 3.33Å; R505-L510 HydrophobicContact CB-CB 4.42Å; R505-L510 HydrophobicContact CB-CD1 4.24Å; R505-L510 VanDerWaalsContact CD-CD1 3.41Å; R505-L510 HydrophobicContact CG-CD1 4.48Å; R505-T514 PolarHBondContact O-OG1 2.73Å | ||
| 506 | L | 75.4 | Confident | 78.1 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | trans | -89.9 | 1.9 | -177.3 | -60.7 | 172.6 | 0 | 0 | 0 | 113 | I504 N560 R563 R564 | I504-L506 HydrophobicContact CG2-CD2 3.93Å; L506-N560 HydrophobicContact CD1-CB 4.48Å; L506-R563 HydrophobicContact CD1-CB 3.74Å; L506-R563 HydrophobicContact CD2-CB 4Å; L506-R564 HydrophobicContact CD1-CG 4.23Å; L506-R564 HydrophobicContact CD2-CG 4.11Å; L506-R564 HydrophobicContact CG-CG 4.24Å | ||
| 507 | E | 76.7 | Confident | 77.7 | Confident | 116 Ų | 116 | 58.2 Ų | 58.2 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | trans | -72 | 125.4 | 178 | -67.6 | 166.4 | -162.3 | 0 | 0 | 110.3 | R505 T509 L510 | R505-E507 VanDerWaalsContact C-N 3.33Å; E507-T509 PolarHBondContact O-N 2.92Å; E507-T509 VanDerWaalsContact O-N 3.12Å; E507-L510 HydrophobicContact CB-CB 4.48Å; E507-L510 HydrophobicContact CB-CD1 4.39Å; E507-L510 HydrophobicContact CB-CG 4.42Å; E507-L510 PolarHBondContact O-N 3.31Å; E507-L510 WeakPolarHBondContact OE2-CD1 3.34Å | ||
| 508 | A | 72.2 | Confident | 77.6 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 66% | 0.661 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -58.7 | -29.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L510 N511 | A508-L510 PolarHBondContact O-N 3.03Å; A508-N511 PolarHBondContact O-ND2 3.23Å |
| 509 | T | 71.6 | Confident | 78.1 | Confident | 127 Ų | 127 | 56.3 Ų | 56.3 | 78% | 0.779 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -67.6 | -18.7 | 175.6 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | E507 | E507-T509 PolarHBondContact O-N 2.92Å; E507-T509 VanDerWaalsContact O-N 3.12Å |
| 510 | L | 72.4 | Confident | 78.5 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -111.3 | 10.1 | -176.2 | -62.3 | 179.9 | 0 | 0 | 0 | 113.4 | R505 E507 A508 E512 A513 T514 | R505-L510 HydrophobicContact CB-CB 4.42Å; R505-L510 HydrophobicContact CB-CD1 4.24Å; R505-L510 VanDerWaalsContact CD-CD1 3.41Å; R505-L510 HydrophobicContact CG-CD1 4.48Å; E507-L510 HydrophobicContact CB-CB 4.48Å; E507-L510 HydrophobicContact CB-CD1 4.39Å; E507-L510 HydrophobicContact CB-CG 4.42Å; E507-L510 PolarHBondContact O-N 3.31Å; E507-L510 WeakPolarHBondContact OE2-CD1 3.34Å; A508-L510 PolarHBondContact O-N 3.03Å; L510-E512 PolarHBondContact O-N 3.06Å; L510-A513 PolarHBondContact O-N 3.41Å; L510-A513 VanDerWaalsContact O-N 3.13Å; L510-T514 PolarHBondContact O-N 3.16Å; L510-T514 PolarHBondContact O-OG1 3.14Å |
| 511 | N | 75.4 | Confident | 79 | Confident | 59 Ų | 59 | 55 Ų | 55 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54 | -48.6 | -176.8 | -81.6 | -16.4 | 0 | 0 | 0 | 113.4 | A508 A513 T514 D515 | A508-N511 PolarHBondContact O-ND2 3.23Å; N511-A513 VanDerWaalsContact C-N 3.34Å; N511-A513 PolarHBondContact O-N 2.97Å; N511-T514 PolarHBondContact O-N 2.53Å; N511-D515 WeakPolarHBondContact O-CB 3.21Å; N511-D515 PolarHBondContact O-N 3.11Å |
| 512 | E | 75.8 | Confident | 79.9 | Confident | 174 Ų | 174 | 55.1 Ų | 55.1 | 81% | 0.813 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.4 | -37 | 179.3 | -64.6 | -175.2 | 174.1 | 0 | 0 | 112.5 | L510 D515 S516 | L510-E512 PolarHBondContact O-N 3.06Å; E512-D515 PolarHBondContact O-N 3.42Å; E512-S516 WeakPolarHBondContact O-CB 3.29Å; E512-S516 PolarHBondContact O-N 3.13Å |
| 513 | A | 74.6 | Confident | 80.8 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L510 N511 V517 | L510-A513 PolarHBondContact O-N 3.41Å; L510-A513 VanDerWaalsContact O-N 3.13Å; N511-A513 VanDerWaalsContact C-N 3.34Å; N511-A513 PolarHBondContact O-N 2.97Å; A513-V517 WeakPolarHBondContact O-CG2 3.09Å; A513-V517 PolarHBondContact O-N 2.94Å |
| 514 | T | 76.1 | Confident | 81.7 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 173.5 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | I504 R505 L510 N511 S516 V517 L518 | I504-T514 HydrophobicContact CB-CG2 4.37Å; I504-T514 HydrophobicContact CG1-CG2 4.25Å; I504-T514 HydrophobicContact CG2-CG2 4Å; R505-T514 PolarHBondContact O-OG1 2.73Å; L510-T514 PolarHBondContact O-N 3.16Å; L510-T514 PolarHBondContact O-OG1 3.14Å; N511-T514 PolarHBondContact O-N 2.53Å; T514-S516 VanDerWaalsContact C-N 3.29Å; T514-S516 PolarHBondContact O-N 2.86Å; T514-V517 PolarHBondContact O-N 3.13Å; T514-V517 VanDerWaalsContact O-N 3.1Å; T514-L518 HydrophobicContact CG2-CD1 4.14Å; T514-L518 HydrophobicContact CG2-CG 4.43Å; T514-L518 WeakPolarHBondContact O-CG 3.3Å; T514-L518 PolarHBondContact O-N 3.04Å |
| 515 | D | 78.1 | Confident | 82.6 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -37.3 | -178.8 | -68.1 | -5.9 | 0 | 0 | 0 | 111.8 | N511 E512 V517 L518 N519 R567 Q571 | N511-D515 WeakPolarHBondContact O-CB 3.21Å; N511-D515 PolarHBondContact O-N 3.11Å; E512-D515 PolarHBondContact O-N 3.42Å; D515-V517 VanDerWaalsContact C-N 3.34Å; D515-V517 PolarHBondContact O-N 2.95Å; D515-L518 PolarHBondContact O-N 3.43Å; D515-N519 WeakPolarHBondContact O-CB 3.43Å; D515-N519 PolarHBondContact O-N 3.42Å; D515-R567 IonicContact OD1-CZ 3.37Å; D515-R567 VanDerWaalsContact OD1-CZ 3.29Å; D515-R567 IonicContact OD1-NE 2.87Å; D515-R567 PolarHBondContact OD1-NE 3.18Å; D515-R567 VanDerWaalsContact OD1-NE 3.16Å; D515-R567 IonicContact OD1-NH2 3.04Å; D515-R567 PolarHBondContact OD1-NH2 2.8Å; D515-R567 IonicContact OD2-CZ 3.91Å; D515-R567 IonicContact OD2-NH2 2.8Å; D515-R567 PolarHBondContact OD2-NH2 3.06Å; D515-Q571 VanDerWaalsContact CG-CD 3.47Å; D515-Q571 VanDerWaalsContact OD1-CD 3.32Å; D515-Q571 PolarHBondContact OD1-NE2 3.47Å; D515-Q571 VanDerWaalsContact OD1-NE2 3.11Å; D515-Q571 PolarHBondContact OD2-NE2 3.21Å |
| 516 | S | 78.4 | Confident | 83.6 | Confident | 65 Ų | 65 | 43 Ų | 43 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 174.2 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | E512 T514 | E512-S516 WeakPolarHBondContact O-CB 3.29Å; E512-S516 PolarHBondContact O-N 3.13Å; T514-S516 VanDerWaalsContact C-N 3.29Å; T514-S516 PolarHBondContact O-N 2.86Å |
| 517 | V | 78.3 | Confident | 84.7 | Confident | 37 Ų | 37 | 42.2 Ų | 42.2 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.9 | -43.9 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | F500 A513 T514 D515 N519 | F500-V517 HydrophobicContact CD1-CG1 4Å; F500-V517 HydrophobicContact CE1-CG1 3.76Å; F500-V517 VanDerWaalsContact CE1-O 3.27Å; F500-V517 WeakPolarHBondContact CE1-O 3.39Å; A513-V517 WeakPolarHBondContact O-CG2 3.09Å; A513-V517 PolarHBondContact O-N 2.94Å; T514-V517 PolarHBondContact O-N 3.13Å; T514-V517 VanDerWaalsContact O-N 3.1Å; D515-V517 VanDerWaalsContact C-N 3.34Å; D515-V517 PolarHBondContact O-N 2.95Å; V517-N519 PolarHBondContact O-N 2.87Å |
| 518 | L | 86.3 | Confident | 85.7 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70 | -23.6 | -179.5 | -65.2 | -179.3 | 0 | 0 | 0 | 113 | F500 I504 T514 D515 D520 F521 I522 L568 Q571 | F500-L518 HydrophobicContact CB-CD2 4.1Å; F500-L518 HydrophobicContact CD1-CD2 4.07Å; F500-L518 HydrophobicContact CG-CD2 4.49Å; I504-L518 HydrophobicContact CD1-CD1 3.88Å; I504-L518 HydrophobicContact CD1-CD2 4.01Å; I504-L518 HydrophobicContact CG1-CD1 3.93Å; I504-L518 HydrophobicContact CG1-CD2 3.8Å; I504-L518 HydrophobicContact CG1-CG 4.25Å; T514-L518 HydrophobicContact CG2-CD1 4.14Å; T514-L518 HydrophobicContact CG2-CG 4.43Å; T514-L518 WeakPolarHBondContact O-CG 3.3Å; T514-L518 PolarHBondContact O-N 3.04Å; D515-L518 PolarHBondContact O-N 3.43Å; L518-D520 VanDerWaalsContact C-N 3.3Å; L518-D520 PolarHBondContact O-N 2.86Å; L518-F521 PolarHBondContact O-N 3.44Å; L518-F521 VanDerWaalsContact O-N 3.15Å; L518-I522 HydrophobicContact CB-CD1 3.78Å; L518-I522 HydrophobicContact CB-CG1 4.45Å; L518-I522 WeakPolarHBondContact O-CG1 3.28Å; L518-I522 PolarHBondContact O-N 2.91Å; L518-L568 HydrophobicContact CD1-CD1 4.05Å; L518-L568 HydrophobicContact CD2-CD1 3.84Å; L518-L568 HydrophobicContact CG-CD1 4.37Å; L518-Q571 HydrophobicContact CD1-CG 4.41Å |
| 519 | N | 91.1 | Very high | 86.9 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.08 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -40.7 | -171.3 | -164.6 | -101.1 | 0 | 0 | 0 | 113.4 | D515 V517 I522 M523 R947 R950 | D515-N519 WeakPolarHBondContact O-CB 3.43Å; D515-N519 PolarHBondContact O-N 3.42Å; V517-N519 PolarHBondContact O-N 2.87Å; N519-I522 PolarHBondContact O-N 3.37Å; N519-M523 VanDerWaalsContact O-CB 3.27Å; N519-M523 WeakPolarHBondContact O-CB 3.41Å; N519-M523 PolarHBondContact O-N 2.94Å; N519-R947 WeakPolarHBondContact OD1-CD 3.44Å; N519-R950 PolarHBondContact ND2-NH1 3.2Å; N519-R950 PolarHBondContact ND2-NH2 2.88Å |
| 520 | D | 92.6 | Very high | 88.1 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 179.1 | -67.1 | -18.7 | 0 | 0 | 0 | 110.9 | L518 M524 F936 R940 R947 | L518-D520 VanDerWaalsContact C-N 3.3Å; L518-D520 PolarHBondContact O-N 2.86Å; D520-M524 VanDerWaalsContact O-CB 3.26Å; D520-M524 WeakPolarHBondContact O-CB 3.39Å; D520-M524 VanDerWaalsContact O-CG 3.24Å; D520-M524 WeakPolarHBondContact O-CG 3.35Å; D520-M524 PolarHBondContact O-N 3.38Å; D520-M524 VanDerWaalsContact O-N 3.14Å; D520-F936 HydrophobicContact CB-CE1 4.04Å; D520-F936 HydrophobicContact CB-CZ 3.98Å; D520-R940 WeakPolarHBondContact OD2-CG 3.28Å; D520-R940 IonicContact OD2-NE 2.6Å; D520-R940 PolarHBondContact OD2-NE 2.77Å; D520-R947 IonicContact OD1-CZ 2.67Å; D520-R947 IonicContact OD1-NE 2.64Å; D520-R947 IonicContact OD1-NH2 3.07Å; D520-R947 PolarHBondContact OD1-NH2 3.46Å; D520-R947 IonicContact OD2-NH2 3.7Å |
| 521 | F | 95 | Very high | 89.2 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -50.6 | 177.9 | 176.8 | -96 | 0 | 0 | 0 | 111.1 | I496 L497 F500 L518 M523 M524 H525 F528 L534 L568 F936 | I496-F521 HydrophobicContact CG2-CD2 3.71Å; I496-F521 HydrophobicContact CG2-CE2 3.98Å; L497-F521 HydrophobicContact CB-CE2 4.18Å; L497-F521 HydrophobicContact CB-CZ 3.95Å; L497-F521 HydrophobicContact CD1-CE1 3.88Å; L497-F521 HydrophobicContact CD1-CZ 3.67Å; L497-F521 HydrophobicContact CG-CZ 4.36Å; F500-F521 HydrophobicContact CD1-CB 4.49Å; F500-F521 HydrophobicContact CD2-CB 3.72Å; F500-F521 AromaticContact CD2-CD2 3.81Å; F500-F521 HydrophobicContact CD2-CD2 3.81Å; F500-F521 AromaticContact CD2-CG 3.93Å; F500-F521 HydrophobicContact CD2-CG 3.93Å; F500-F521 HydrophobicContact CE2-CB 3.83Å; F500-F521 HydrophobicContact CE2-CD2 4.25Å; F500-F521 HydrophobicContact CE2-CG 4.4Å; F500-F521 HydrophobicContact CG-CB 4.08Å; F500-F521 HydrophobicContact CG-CG 4.38Å; F500-F521 HydrophobicContact CZ-CB 4.25Å; L518-F521 PolarHBondContact O-N 3.44Å; L518-F521 VanDerWaalsContact O-N 3.15Å; F521-M523 VanDerWaalsContact C-N 3.28Å; F521-M523 PolarHBondContact O-N 3.42Å; F521-M524 PolarHBondContact O-N 3.45Å; F521-M524 VanDerWaalsContact O-N 3.17Å; F521-H525 HydrophobicContact CE1-CB 4.36Å; F521-H525 HydrophobicContact CE2-CB 4.47Å; F521-H525 HydrophobicContact CZ-CB 4.23Å; F521-H525 WeakPolarHBondContact O-CB 3.45Å; F521-H525 PolarHBondContact O-N 2.96Å; F521-F528 HydrophobicContact CD2-CE2 4.37Å; F521-F528 AromaticContact CD2-CZ 3.82Å; F521-F528 HydrophobicContact CD2-CZ 3.82Å; F521-F528 AromaticContact CE2-CE2 3.93Å; F521-F528 HydrophobicContact CE2-CE2 3.93Å; F521-F528 AromaticContact CE2-CZ 3.82Å; F521-F528 HydrophobicContact CE2-CZ 3.82Å; F521-L534 HydrophobicContact CE1-CD1 4.21Å; F521-L534 HydrophobicContact CZ-CD1 4.05Å; F521-L568 HydrophobicContact CD1-CD1 4.36Å; F521-L568 HydrophobicContact CE1-CD2 4.46Å; F521-F936 HydrophobicContact CB-CZ 4.24Å; F521-F936 HydrophobicContact CD2-CE2 4.48Å |
| 522 | I | 96.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -32.7 | -175.6 | -67.7 | 170.9 | 0 | 0 | 0 | 112.1 | L518 N519 H525 L568 Q571 W572 M575 | L518-I522 HydrophobicContact CB-CD1 3.78Å; L518-I522 HydrophobicContact CB-CG1 4.45Å; L518-I522 WeakPolarHBondContact O-CG1 3.28Å; L518-I522 PolarHBondContact O-N 2.91Å; N519-I522 PolarHBondContact O-N 3.37Å; I522-H525 PolarHBondContact O-CD2 3.14Å; I522-L568 HydrophobicContact CD1-CD1 4.08Å; I522-L568 HydrophobicContact CG1-CD1 4.09Å; I522-Q571 HydrophobicContact CD1-CB 3.28Å; I522-Q571 HydrophobicContact CD1-CG 4.45Å; I522-W572 HydrophobicContact CG2-CB 4.36Å; I522-M575 HydrophobicContact CG2-CB 3.44Å; I522-M575 VanDerWaalsContact CG2-CB 3.44Å; I522-M575 HydrophobicContact CG2-CE 4.17Å; I522-M575 HydrophobicContact CG2-CG 3.83Å |
| 523 | M | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.3 | -37.2 | 176.7 | -168 | 177.9 | -68.4 | 0 | 0 | 111.9 | N519 F521 M575 E781 L782 I785 A943 A946 R947 | N519-M523 VanDerWaalsContact O-CB 3.27Å; N519-M523 WeakPolarHBondContact O-CB 3.41Å; N519-M523 PolarHBondContact O-N 2.94Å; F521-M523 VanDerWaalsContact C-N 3.28Å; F521-M523 PolarHBondContact O-N 3.42Å; M523-M575 HydrophobicContact CB-CE 3.79Å; M523-M575 HydrophobicContact CE-CE 3.73Å; M523-M575 HydrophobicContact CE-SD 4.36Å; M523-M575 HydrophobicContact CG-CE 4.21Å; M523-E781 WeakPolarHBondContact CE-OE2 3.49Å; M523-L782 HydrophobicContact CG-CD2 4.35Å; M523-I785 HydrophobicContact CG-CD1 4.43Å; M523-I785 HydrophobicContact CG-CG1 4.33Å; M523-I785 HydrophobicContact SD-CD1 4.48Å; M523-A943 HydrophobicContact SD-CB 4.1Å; M523-A946 HydrophobicContact CE-CB 4.19Å; M523-A946 HydrophobicContact SD-CB 3.43Å; M523-A946 WeakPolarHBondContact SD-CB 3.3Å; M523-R947 HydrophobicContact CE-CG 4.16Å |
| 524 | M | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -102.8 | -9.7 | -166.9 | -58 | -54.6 | -59.7 | 0 | 0 | 114.6 | D520 F521 C526 V527 F528 I785 F789 M939 I942 A943 | D520-M524 VanDerWaalsContact O-CB 3.26Å; D520-M524 WeakPolarHBondContact O-CB 3.39Å; D520-M524 VanDerWaalsContact O-CG 3.24Å; D520-M524 WeakPolarHBondContact O-CG 3.35Å; D520-M524 PolarHBondContact O-N 3.38Å; D520-M524 VanDerWaalsContact O-N 3.14Å; F521-M524 PolarHBondContact O-N 3.45Å; F521-M524 VanDerWaalsContact O-N 3.17Å; M524-C526 PolarHBondContact O-N 2.85Å; M524-V527 HydrophobicContact CE-CG2 3.99Å; M524-V527 WeakPolarHBondContact O-CB 3.41Å; M524-V527 PolarHBondContact O-N 3.1Å; M524-F528 HydrophobicContact CB-CE1 4.28Å; M524-F528 WeakPolarHBondContact O-CD1 3.48Å; M524-F528 WeakPolarHBondContact O-CE1 3.45Å; M524-I785 HydrophobicContact CE-CD1 4.22Å; M524-I785 HydrophobicContact CE-CG2 4.13Å; M524-I785 HydrophobicContact SD-CD1 3.6Å; M524-I785 HydrophobicContact SD-CG1 4.24Å; M524-I785 HydrophobicContact SD-CG2 4.39Å; M524-F789 HydrophobicContact CE-CE2 3.84Å; M524-F789 HydrophobicContact CE-CZ 4.23Å; M524-M939 HydrophobicContact CB-CB 3.9Å; M524-M939 HydrophobicContact CB-CG 4.24Å; M524-M939 HydrophobicContact CB-SD 4.2Å; M524-M939 HydrophobicContact CE-SD 3.82Å; M524-M939 HydrophobicContact CG-CB 3.99Å; M524-I942 HydrophobicContact CE-CB 4.02Å; M524-I942 HydrophobicContact CE-CG2 3.86Å; M524-I942 HydrophobicContact SD-CG2 4.28Å; M524-A943 HydrophobicContact CG-CB 3.95Å; M524-A943 HydrophobicContact SD-CB 4.2Å |
| 525 | H | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.7 | -32.2 | -177.8 | 82.6 | 82.5 | 0 | 0 | 0 | 111.9 | F521 I522 V527 F528 M529 N531 L534 W572 Y576 | F521-H525 HydrophobicContact CE1-CB 4.36Å; F521-H525 HydrophobicContact CE2-CB 4.47Å; F521-H525 HydrophobicContact CZ-CB 4.23Å; F521-H525 WeakPolarHBondContact O-CB 3.45Å; F521-H525 PolarHBondContact O-N 2.96Å; I522-H525 PolarHBondContact O-CD2 3.14Å; H525-V527 PolarHBondContact O-N 3.45Å; H525-F528 HydrophobicContact CB-CZ 4.27Å; H525-F528 PolarHBondContact O-N 3.18Å; H525-M529 CarbonylContact C-O 3.09Å; H525-M529 PolarHBondContact ND1-O 3.26Å; H525-M529 CarbonylContact O-C 3.57Å; H525-M529 WeakPolarHBondContact O-CA 3.37Å; H525-M529 PolarHBondContact O-N 3.33Å; H525-N531 PolarHBondContact CE1-OD1 2.94Å; H525-L534 HydrophobicContact CB-CD2 4.49Å; H525-L534 WeakPolarHBondContact ND1-CD2 3.28Å; H525-W572 AromaticContact CE1-NE1 3.98Å; H525-W572 AromaticContact NE2-CD1 3.68Å; H525-W572 AromaticContact NE2-NE1 3.59Å; H525-Y576 PolarHBondContact CE1-OH 3.45Å; H525-Y576 AromaticContact NE2-CE2 3.41Å; H525-Y576 WeakPolarHBondContact NE2-CE2 3.36Å; H525-Y576 AromaticContact NE2-CZ 3.56Å; H525-Y576 PolarHBondContact NE2-OH 3.42Å |
| 526 | C | 97.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 25.8 Ų | 25.8 | 10% | 0.095 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.3 | -23.6 | 179.5 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | M524 F794 | M524-C526 PolarHBondContact O-N 2.85Å; C526-F794 HydrophobicContact CB-CD1 4.35Å; C526-F794 HydrophobicContact CB-CE1 4.07Å; C526-F794 WeakPolarHBondContact O-CE1 3.23Å |
| 527 | V | 97.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 23.6 Ų | 23.6 | 17% | 0.17 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -77 | -33 | 179.5 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | M524 H525 I785 F789 F794 T928 M939 | M524-V527 HydrophobicContact CE-CG2 3.99Å; M524-V527 WeakPolarHBondContact O-CB 3.41Å; M524-V527 PolarHBondContact O-N 3.1Å; H525-V527 PolarHBondContact O-N 3.45Å; V527-I785 HydrophobicContact CG2-CG2 3.91Å; V527-F789 HydrophobicContact CB-CE1 4.43Å; V527-F789 HydrophobicContact CG1-CD1 3.68Å; V527-F789 HydrophobicContact CG1-CE1 3.37Å; V527-F789 HydrophobicContact CG1-CG 4.38Å; V527-F789 HydrophobicContact CG1-CZ 3.83Å; V527-F789 HydrophobicContact CG2-CD1 4.18Å; V527-F789 HydrophobicContact CG2-CD2 3.91Å; V527-F789 HydrophobicContact CG2-CE1 4.14Å; V527-F789 HydrophobicContact CG2-CE2 3.85Å; V527-F789 HydrophobicContact CG2-CG 4.07Å; V527-F789 HydrophobicContact CG2-CZ 3.96Å; V527-F794 HydrophobicContact CG2-CZ 4.36Å; V527-T928 HydrophobicContact CG1-CG2 3.93Å; V527-M939 HydrophobicContact CB-SD 4.23Å; V527-M939 HydrophobicContact CG1-CE 4.23Å; V527-M939 HydrophobicContact CG1-SD 4.06Å |
| 528 | F | 97.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 5% | 0.053 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -130 | -16.5 | -169.5 | 65.2 | -97.1 | 0 | 0 | 0 | 115 | P493 I496 F521 M524 H525 V934 F936 M939 | P493-F528 HydrophobicContact CB-CD2 4.09Å; P493-F528 HydrophobicContact CG-CD2 4.27Å; P493-F528 WeakPolarHBondContact CG-O 3.37Å; I496-F528 HydrophobicContact CG2-CE2 4.47Å; I496-F528 HydrophobicContact CG2-CZ 4.42Å; F521-F528 HydrophobicContact CD2-CE2 4.37Å; F521-F528 AromaticContact CD2-CZ 3.82Å; F521-F528 HydrophobicContact CD2-CZ 3.82Å; F521-F528 AromaticContact CE2-CE2 3.93Å; F521-F528 HydrophobicContact CE2-CE2 3.93Å; F521-F528 AromaticContact CE2-CZ 3.82Å; F521-F528 HydrophobicContact CE2-CZ 3.82Å; M524-F528 HydrophobicContact CB-CE1 4.28Å; M524-F528 WeakPolarHBondContact O-CD1 3.48Å; M524-F528 WeakPolarHBondContact O-CE1 3.45Å; H525-F528 HydrophobicContact CB-CZ 4.27Å; H525-F528 PolarHBondContact O-N 3.18Å; F528-V934 HydrophobicContact CB-CB 4.45Å; F528-V934 HydrophobicContact CB-CG1 3.87Å; F528-V934 HydrophobicContact CB-CG2 3.65Å; F528-V934 HydrophobicContact CD1-CG1 3.82Å; F528-V934 HydrophobicContact CD2-CG1 4.25Å; F528-V934 HydrophobicContact CD2-CG2 3.96Å; F528-V934 HydrophobicContact CE1-CG1 4.43Å; F528-V934 HydrophobicContact CG-CB 4.46Å; F528-V934 HydrophobicContact CG-CG1 3.72Å; F528-V934 HydrophobicContact CG-CG2 3.93Å; F528-F936 HydrophobicContact CE1-CD2 4.44Å; F528-F936 HydrophobicContact CE1-CE2 4.19Å; F528-F936 HydrophobicContact CZ-CD2 4.45Å; F528-F936 HydrophobicContact CZ-CE2 4.08Å; F528-M939 HydrophobicContact CD1-CG 4.25Å; F528-M939 HydrophobicContact CD1-SD 4.31Å; F528-M939 HydrophobicContact CE1-CG 4.24Å |
| 529 | M | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -145 | 77.7 | 178.8 | -160.3 | -179.6 | -162.9 | 0 | 0 | 109.5 | P493 L497 H525 Q533 L534 A537 | P493-M529 HydrophobicContact CB-CB 4.08Å; P493-M529 HydrophobicContact CB-CG 4.09Å; P493-M529 HydrophobicContact CB-SD 4.2Å; L497-M529 HydrophobicContact CB-SD 4.32Å; L497-M529 HydrophobicContact CD2-CE 3.9Å; L497-M529 HydrophobicContact CD2-SD 4.18Å; H525-M529 CarbonylContact C-O 3.09Å; H525-M529 PolarHBondContact ND1-O 3.26Å; H525-M529 CarbonylContact O-C 3.57Å; H525-M529 WeakPolarHBondContact O-CA 3.37Å; H525-M529 PolarHBondContact O-N 3.33Å; M529-Q533 HydrophobicContact CG-CB 4.13Å; M529-L534 HydrophobicContact CG-CB 4.19Å; M529-L534 HydrophobicContact SD-CB 4.35Å; M529-L534 HydrophobicContact SD-CD1 3.95Å; M529-A537 HydrophobicContact CE-CB 3.59Å |
| 530 | P | 96.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 26.1 Ų | 26.1 | 33% | 0.331 | 16% | 0.161 | S | C | . | . | trans | -60.1 | 161.8 | -179.5 | 26.6 | -35.3 | 0 | 0 | 0 | 111.7 | T532 Q533 L534 | P530-T532 PolarHBondContact O-N 3.16Å; P530-Q533 HydrophobicContact CG-CG 4.37Å; P530-Q533 WeakPolarHBondContact O-CA 3.4Å; P530-Q533 PolarHBondContact O-N 3.26Å; P530-L534 PolarHBondContact O-N 3Å | ||
| 531 | N | 96.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57 | -25.9 | -177.8 | -71.3 | -27.4 | 0 | 0 | 0 | 113.6 | H525 Q533 C535 W572 S586 | H525-N531 PolarHBondContact CE1-OD1 2.94Å; N531-Q533 PolarHBondContact O-N 3.49Å; N531-C535 VanDerWaalsContact O-CB 3.26Å; N531-C535 WeakPolarHBondContact O-CB 3.23Å; N531-C535 PolarHBondContact O-N 3.14Å; N531-C535 PolarHBondContact O-SG 3.33Å; N531-C535 VanDerWaalsContact O-SG 3.39Å; N531-W572 PolarHBondContact OD1-NE1 3.15Å; N531-S586 PolarHBondContact ND2-OG 3.04Å |
| 532 | T | 95.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 27.6 Ų | 27.6 | 57% | 0.571 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -62.8 | -22.4 | 172.6 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | P530 P536 V585 | P530-T532 PolarHBondContact O-N 3.16Å; T532-P536 WeakPolarHBondContact O-CG 3.45Å; T532-V585 HydrophobicContact CG2-CG2 4.32Å |
| 533 | Q | 96.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 31.8 Ų | 31.8 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -106 | -42.3 | 174.5 | -65.6 | 175.9 | 3.8 | 0 | 0 | 111.7 | M529 P530 N531 P536 A537 | M529-Q533 HydrophobicContact CG-CB 4.13Å; P530-Q533 HydrophobicContact CG-CG 4.37Å; P530-Q533 WeakPolarHBondContact O-CA 3.4Å; P530-Q533 PolarHBondContact O-N 3.26Å; N531-Q533 PolarHBondContact O-N 3.49Å; Q533-P536 WeakPolarHBondContact O-CD 3.41Å; Q533-A537 WeakPolarHBondContact O-CB 3.43Å; Q533-A537 PolarHBondContact O-N 3.1Å; Q533-A537 VanDerWaalsContact O-N 3.15Å |
| 534 | L | 97 | Very high | 95 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | -178.3 | 176.8 | 63.9 | 0 | 0 | 0 | 112.1 | L497 F521 H525 M529 P530 A537 L538 | L497-L534 HydrophobicContact CD1-CD1 4.07Å; L497-L534 HydrophobicContact CD2-CD1 4.01Å; F521-L534 HydrophobicContact CE1-CD1 4.21Å; F521-L534 HydrophobicContact CZ-CD1 4.05Å; H525-L534 HydrophobicContact CB-CD2 4.49Å; H525-L534 WeakPolarHBondContact ND1-CD2 3.28Å; M529-L534 HydrophobicContact CG-CB 4.19Å; M529-L534 HydrophobicContact SD-CB 4.35Å; M529-L534 HydrophobicContact SD-CD1 3.95Å; P530-L534 PolarHBondContact O-N 3Å; L534-A537 PolarHBondContact O-N 3.26Å; L534-L538 HydrophobicContact CD1-CD1 3.98Å; L534-L538 HydrophobicContact CD1-CD2 4.25Å; L534-L538 HydrophobicContact CD1-CG 3.9Å; L534-L538 HydrophobicContact CD2-CD1 4.42Å; L534-L538 HydrophobicContact CG-CD1 3.84Å; L534-L538 HydrophobicContact CG-CG 4.2Å; L534-L538 VanDerWaalsContact O-CG 3.31Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 2.92Å |
| 535 | C | 96.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | -176.4 | -66.4 | 0 | 0 | 0 | 0 | 112 | N531 A537 L538 V539 F589 | N531-C535 VanDerWaalsContact O-CB 3.26Å; N531-C535 WeakPolarHBondContact O-CB 3.23Å; N531-C535 PolarHBondContact O-N 3.14Å; N531-C535 PolarHBondContact O-SG 3.33Å; N531-C535 VanDerWaalsContact O-SG 3.39Å; C535-A537 VanDerWaalsContact C-N 3.34Å; C535-A537 PolarHBondContact O-N 3.4Å; C535-L538 PolarHBondContact O-N 2.88Å; C535-V539 WeakPolarHBondContact O-CG2 3.49Å; C535-V539 PolarHBondContact O-N 3.28Å; C535-V539 VanDerWaalsContact O-N 3.08Å; C535-F589 HydrophobicContact CB-CB 3.8Å; C535-F589 HydrophobicContact CB-CD1 4.13Å; C535-F589 HydrophobicContact CB-CD2 3.7Å; C535-F589 HydrophobicContact CB-CE2 4.32Å; C535-F589 HydrophobicContact CB-CG 3.58Å |
| 536 | P | 95.9 | Very high | 93 | Very high | 75 Ų | 75 | 41.6 Ų | 41.6 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.4 | -40.4 | 172.3 | -26.3 | 35.1 | 0 | 0 | 0 | 114 | T532 Q533 L538 V539 A540 | T532-P536 WeakPolarHBondContact O-CG 3.45Å; Q533-P536 WeakPolarHBondContact O-CD 3.41Å; P536-L538 VanDerWaalsContact C-N 3.34Å; P536-L538 PolarHBondContact O-N 3.26Å; P536-V539 PolarHBondContact O-N 2.71Å; P536-A540 PolarHBondContact O-N 3.17Å |
| 537 | A | 93.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 46 Ų | 46 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L497 M529 Q533 L534 C535 A540 H541 | L497-A537 HydrophobicContact CD2-CB 3.76Å; M529-A537 HydrophobicContact CE-CB 3.59Å; Q533-A537 WeakPolarHBondContact O-CB 3.43Å; Q533-A537 PolarHBondContact O-N 3.1Å; Q533-A537 VanDerWaalsContact O-N 3.15Å; L534-A537 PolarHBondContact O-N 3.26Å; C535-A537 VanDerWaalsContact C-N 3.34Å; C535-A537 PolarHBondContact O-N 3.4Å; A537-A540 PolarHBondContact O-N 2.87Å; A537-H541 PolarHBondContact O-CD2 3.46Å; A537-H541 PolarHBondContact O-N 2.59Å |
| 538 | L | 95.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 175.3 | -67.5 | 173.1 | 0 | 0 | 0 | 112.2 | L497 L534 C535 P536 A540 H541 Y542 V565 L568 V569 F589 | L497-L538 HydrophobicContact CD1-CD2 3.98Å; L497-L538 HydrophobicContact CD2-CD2 4.46Å; L534-L538 HydrophobicContact CD1-CD1 3.98Å; L534-L538 HydrophobicContact CD1-CD2 4.25Å; L534-L538 HydrophobicContact CD1-CG 3.9Å; L534-L538 HydrophobicContact CD2-CD1 4.42Å; L534-L538 HydrophobicContact CG-CD1 3.84Å; L534-L538 HydrophobicContact CG-CG 4.2Å; L534-L538 VanDerWaalsContact O-CG 3.31Å; L534-L538 WeakPolarHBondContact O-CG 3.48Å; L534-L538 PolarHBondContact O-N 2.92Å; C535-L538 PolarHBondContact O-N 2.88Å; P536-L538 VanDerWaalsContact C-N 3.34Å; P536-L538 PolarHBondContact O-N 3.26Å; L538-A540 VanDerWaalsContact C-N 3.34Å; L538-H541 PolarHBondContact O-N 2.94Å; L538-Y542 WeakPolarHBondContact O-CB 3.22Å; L538-Y542 PolarHBondContact O-N 3.22Å; L538-V565 HydrophobicContact CD2-CG1 4.44Å; L538-L568 HydrophobicContact CD2-CD2 3.62Å; L538-V569 HydrophobicContact CD1-CG2 4.06Å; L538-F589 HydrophobicContact CB-CE2 4.14Å; L538-F589 HydrophobicContact CB-CZ 3.93Å; L538-F589 HydrophobicContact CD1-CE1 4.28Å; L538-F589 HydrophobicContact CD1-CZ 3.93Å |
| 539 | V | 94.9 | Very high | 88.9 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 26% | 0.255 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 173 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | C535 P536 Y542 H543 F589 | C535-V539 WeakPolarHBondContact O-CG2 3.49Å; C535-V539 PolarHBondContact O-N 3.28Å; C535-V539 VanDerWaalsContact O-N 3.08Å; P536-V539 PolarHBondContact O-N 2.71Å; V539-Y542 PolarHBondContact O-N 3.19Å; V539-H543 PolarHBondContact O-N 3.05Å; V539-H543 PolarHBondContact O-ND1 2.88Å; V539-F589 HydrophobicContact CG2-CD2 3.83Å; V539-F589 HydrophobicContact CG2-CE2 3.65Å |
| 540 | A | 92.1 | Very high | 88.3 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P536 A537 L538 Y542 H543 A544 | P536-A540 PolarHBondContact O-N 3.17Å; A537-A540 PolarHBondContact O-N 2.87Å; L538-A540 VanDerWaalsContact C-N 3.34Å; A540-Y542 VanDerWaalsContact C-N 3.34Å; A540-Y542 PolarHBondContact O-N 3Å; A540-H543 PolarHBondContact O-N 3.46Å; A540-A544 PolarHBondContact O-N 3.09Å |
| 541 | H | 89.1 | Confident | 87.7 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.2 | -81.3 | -73.3 | 0 | 0 | 0 | 112.4 | L501 A537 L538 H543 A544 N561 V565 | L501-H541 HydrophobicContact CD1-CB 3.98Å; A537-H541 PolarHBondContact O-CD2 3.46Å; A537-H541 PolarHBondContact O-N 2.59Å; L538-H541 PolarHBondContact O-N 2.94Å; H541-H543 VanDerWaalsContact C-N 3.28Å; H541-H543 PolarHBondContact O-N 2.86Å; H541-A544 WeakPolarHBondContact O-CB 3.29Å; H541-A544 PolarHBondContact O-N 3.42Å; H541-N561 PolarHBondContact O-ND2 3.36Å; H541-V565 HydrophobicContact CB-CG2 3.97Å |
| 542 | Y | 92.4 | Very high | 87 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -32.5 | 178.9 | -171.9 | -101.4 | 0 | 0 | 0 | 113.6 | L538 V539 A540 K562 V565 I566 F593 V597 D600 | L538-Y542 WeakPolarHBondContact O-CB 3.22Å; L538-Y542 PolarHBondContact O-N 3.22Å; V539-Y542 PolarHBondContact O-N 3.19Å; A540-Y542 VanDerWaalsContact C-N 3.34Å; A540-Y542 PolarHBondContact O-N 3Å; Y542-K562 HydrophobicContact CD2-CB 4.11Å; Y542-K562 HydrophobicContact CD2-CG 3.88Å; Y542-K562 HydrophobicContact CE1-CD 4.42Å; Y542-K562 HydrophobicContact CE1-CG 4.44Å; Y542-K562 HydrophobicContact CE2-CB 3.67Å; Y542-K562 HydrophobicContact CE2-CD 4.22Å; Y542-K562 HydrophobicContact CE2-CG 3.64Å; Y542-K562 HydrophobicContact CG-CG 4.39Å; Y542-K562 WeakPolarHBondContact O-CG 3.49Å; Y542-K562 PolarHBondContact O-NZ 3.33Å; Y542-K562 VanDerWaalsContact O-NZ 3.12Å; Y542-V565 HydrophobicContact CD2-CB 4.2Å; Y542-V565 HydrophobicContact CD2-CG1 4.16Å; Y542-I566 HydrophobicContact CE2-CD1 4.06Å; Y542-I566 HydrophobicContact CE2-CG1 4Å; Y542-F593 HydrophobicContact CD1-CE2 4.43Å; Y542-F593 AromaticContact CD2-CE2 3.65Å; Y542-F593 HydrophobicContact CD2-CE2 3.65Å; Y542-F593 AromaticContact CD2-CZ 3.94Å; Y542-F593 HydrophobicContact CD2-CZ 3.94Å; Y542-F593 HydrophobicContact CE2-CE2 4.17Å; Y542-F593 HydrophobicContact CE2-CZ 4.18Å; Y542-F593 AromaticContact CG-CE2 3.8Å; Y542-F593 HydrophobicContact CG-CE2 3.8Å; Y542-V597 HydrophobicContact CE2-CG2 3.97Å; Y542-V597 WeakPolarHBondContact OH-CA 3.17Å; Y542-D600 WeakPolarHBondContact CE1-OD2 3.42Å; Y542-D600 PolarHBondContact OH-OD2 3.46Å; Y542-D600 VanDerWaalsContact OH-OD2 3.06Å |
| 543 | H | 91.9 | Very high | 86.1 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 43% | 0.431 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -99 | -1.8 | -179.6 | -61.7 | 98.1 | 0 | 0 | 0 | 113.5 | V539 A540 H541 Q545 | V539-H543 PolarHBondContact O-N 3.05Å; V539-H543 PolarHBondContact O-ND1 2.88Å; A540-H543 PolarHBondContact O-N 3.46Å; H541-H543 VanDerWaalsContact C-N 3.28Å; H541-H543 PolarHBondContact O-N 2.86Å; H543-Q545 PolarHBondContact O-N 3.33Å |
| 544 | A | 84.8 | Confident | 85.1 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | trans | -60.9 | 133.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A540 H541 | A540-A544 PolarHBondContact O-N 3.09Å; H541-A544 WeakPolarHBondContact O-CB 3.29Å; H541-A544 PolarHBondContact O-N 3.42Å | ||
| 545 | Q | 78.6 | Confident | 84.4 | Confident | 139 Ų | 139 | 70.2 Ų | 70.2 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | trans | -106.7 | 134 | 177.5 | -65.1 | -60.8 | -33.7 | 0 | 0 | 110.4 | H543 S547 | H543-Q545 PolarHBondContact O-N 3.33Å; Q545-S547 PolarHBondContact O-N 2.84Å | ||
| 546 | P | 75.4 | Confident | 83.7 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 16% | 0.156 | 41% | 0.408 | C | S | . | . | trans | -67.1 | 130.3 | 176.3 | 24.7 | -30.7 | 0 | 0 | 0 | 111.2 | K554 Y557 | P546-K554 HydrophobicContact CB-CG 4.35Å; P546-K554 HydrophobicContact CG-CB 3.62Å; P546-K554 HydrophobicContact CG-CG 3.77Å; P546-K554 WeakPolarHBondContact CG-O 3.45Å; P546-Y557 HydrophobicContact CB-CD1 3.74Å; P546-Y557 HydrophobicContact CB-CE1 4.23Å; P546-Y557 HydrophobicContact CB-CG 4.28Å; P546-Y557 HydrophobicContact CG-CD1 3.84Å; P546-Y557 HydrophobicContact CG-CG 4.4Å | ||
| 547 | S | 62.5 | Low | 82.8 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 74% | 0.741 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -81.9 | -12.1 | -179.3 | 54.5 | 0 | 0 | 0 | 0 | 114 | Q545 | Q545-S547 PolarHBondContact O-N 2.84Š|
| 548 | Q | 66.8 | Low | 82.2 | Confident | 158 Ų | 158 | 74.4 Ų | 74.4 | 74% | 0.738 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -130.4 | 152.3 | -174.4 | -63 | -65.3 | -19.2 | 0 | 0 | 110.8 | ||
| 549 | G | 77.1 | Confident | 81.8 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 106.4 | 169.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K554 | G549-K554 VanDerWaalsContact O-CE 3.23Å; G549-K554 WeakPolarHBondContact O-CE 3.33Å |
| 550 | T | 84.1 | Confident | 81.3 | Confident | 82 Ų | 82 | 77 Ų | 77 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | trans | -69.9 | 159.1 | 171.8 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | Q552 E553 K554 | T550-Q552 PolarHBondContact O-N 3.19Å; T550-E553 WeakPolarHBondContact CB-OE2 3.17Å; T550-E553 PolarHBondContact N-OE2 3.32Å; T550-E553 PolarHBondContact O-N 3.36Å; T550-E553 VanDerWaalsContact O-N 3.08Å; T550-E553 VanDerWaalsContact OG1-CG 3.26Å; T550-E553 WeakPolarHBondContact OG1-CG 3.48Å; T550-E553 PolarHBondContact OG1-N 3.28Å; T550-E553 PolarHBondContact OG1-OE2 3.44Å; T550-K554 WeakPolarHBondContact O-CG 3.35Å; T550-K554 PolarHBondContact O-N 3.44Å | ||
| 551 | E | 83.4 | Confident | 80.9 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.7 | -36.1 | -179.9 | -69.4 | -60.9 | 124.1 | 0 | 0 | 112.9 | K554 M555 | E551-K554 PolarHBondContact O-N 3Å; E551-K554 IonicContact OE1-NZ 3.33Å; E551-K554 PolarHBondContact OE1-NZ 3.49Å; E551-M555 VanDerWaalsContact O-CG 3.28Å; E551-M555 WeakPolarHBondContact O-CG 3.41Å; E551-M555 PolarHBondContact O-N 2.91Å |
| 552 | Q | 82.1 | Confident | 81 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.9 | -46.5 | 175.6 | -172.3 | 61.4 | 43.9 | 0 | 0 | 112.2 | T550 K554 M555 D556 | T550-Q552 PolarHBondContact O-N 3.19Å; Q552-K554 VanDerWaalsContact C-N 3.29Å; Q552-K554 PolarHBondContact O-N 3.16Å; Q552-M555 PolarHBondContact O-N 3.19Å; Q552-D556 PolarHBondContact NE2-OD1 2.98Å; Q552-D556 PolarHBondContact O-N 2.89Å |
| 553 | E | 76.4 | Confident | 80.9 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.8 | -70.3 | 164.7 | 151.4 | 0 | 0 | 111.7 | T550 D556 Y557 | T550-E553 WeakPolarHBondContact CB-OE2 3.17Å; T550-E553 PolarHBondContact N-OE2 3.32Å; T550-E553 PolarHBondContact O-N 3.36Å; T550-E553 VanDerWaalsContact O-N 3.08Å; T550-E553 VanDerWaalsContact OG1-CG 3.26Å; T550-E553 WeakPolarHBondContact OG1-CG 3.48Å; T550-E553 PolarHBondContact OG1-N 3.28Å; T550-E553 PolarHBondContact OG1-OE2 3.44Å; E553-D556 PolarHBondContact O-N 3.27Å; E553-Y557 VanDerWaalsContact O-CB 3.32Å; E553-Y557 WeakPolarHBondContact O-CB 3.35Å; E553-Y557 PolarHBondContact O-N 2.93Å |
| 554 | K | 76.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 74 Ų | 74 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 174.9 | -70.6 | -176.6 | -171.8 | 162.3 | 0 | 111.5 | P546 G549 T550 E551 Q552 Y557 A558 | P546-K554 HydrophobicContact CB-CG 4.35Å; P546-K554 HydrophobicContact CG-CB 3.62Å; P546-K554 HydrophobicContact CG-CG 3.77Å; P546-K554 WeakPolarHBondContact CG-O 3.45Å; G549-K554 VanDerWaalsContact O-CE 3.23Å; G549-K554 WeakPolarHBondContact O-CE 3.33Å; T550-K554 WeakPolarHBondContact O-CG 3.35Å; T550-K554 PolarHBondContact O-N 3.44Å; E551-K554 PolarHBondContact O-N 3Å; E551-K554 IonicContact OE1-NZ 3.33Å; E551-K554 PolarHBondContact OE1-NZ 3.49Å; Q552-K554 VanDerWaalsContact C-N 3.29Å; Q552-K554 PolarHBondContact O-N 3.16Å; K554-Y557 PolarHBondContact O-N 3.26Å; K554-A558 VanDerWaalsContact O-CB 3.26Å; K554-A558 WeakPolarHBondContact O-CB 3.46Å; K554-A558 PolarHBondContact O-N 3.04Å |
| 555 | M | 82.2 | Confident | 81.1 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 62% | 0.616 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 176.3 | -73.8 | -180 | 71.8 | 0 | 0 | 111.7 | E551 Q552 A558 L559 | E551-M555 VanDerWaalsContact O-CG 3.28Å; E551-M555 WeakPolarHBondContact O-CG 3.41Å; E551-M555 PolarHBondContact O-N 2.91Å; Q552-M555 PolarHBondContact O-N 3.19Å; M555-A558 PolarHBondContact O-N 2.9Å; M555-L559 WeakPolarHBondContact O-CB 3.09Å; M555-L559 PolarHBondContact O-N 3.05Å |
| 556 | D | 80.8 | Confident | 81.8 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 41% | 0.406 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 179.8 | -69.4 | -23 | 0 | 0 | 0 | 112 | Q552 E553 N560 | Q552-D556 PolarHBondContact NE2-OD1 2.98Å; Q552-D556 PolarHBondContact O-N 2.89Å; E553-D556 PolarHBondContact O-N 3.27Å; D556-N560 PolarHBondContact O-N 2.88Å; D556-N560 VanDerWaalsContact O-N 3.07Å; D556-N560 PolarHBondContact O-ND2 3.21Å |
| 557 | Y | 78 | Confident | 82.5 | Confident | 101 Ų | 101 | 65.7 Ų | 65.7 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -49.4 | 174.4 | 179.2 | -86.7 | 0 | 0 | 0 | 111.3 | P546 E553 K554 L559 N560 N561 | P546-Y557 HydrophobicContact CB-CD1 3.74Å; P546-Y557 HydrophobicContact CB-CE1 4.23Å; P546-Y557 HydrophobicContact CB-CG 4.28Å; P546-Y557 HydrophobicContact CG-CD1 3.84Å; P546-Y557 HydrophobicContact CG-CG 4.4Å; E553-Y557 VanDerWaalsContact O-CB 3.32Å; E553-Y557 WeakPolarHBondContact O-CB 3.35Å; E553-Y557 PolarHBondContact O-N 2.93Å; K554-Y557 PolarHBondContact O-N 3.26Å; Y557-L559 VanDerWaalsContact C-N 3.3Å; Y557-L559 PolarHBondContact O-N 3.48Å; Y557-N560 PolarHBondContact O-N 3.18Å; Y557-N561 HydrophobicContact CE1-CB 4.33Å; Y557-N561 VanDerWaalsContact O-CB 3.31Å; Y557-N561 WeakPolarHBondContact O-CB 3.49Å; Y557-N561 PolarHBondContact O-N 3.41Å |
| 558 | A | 82.2 | Confident | 84 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K554 M555 N561 K562 | K554-A558 VanDerWaalsContact O-CB 3.26Å; K554-A558 WeakPolarHBondContact O-CB 3.46Å; K554-A558 PolarHBondContact O-N 3.04Å; M555-A558 PolarHBondContact O-N 2.9Å; A558-N561 PolarHBondContact O-N 3.38Å; A558-K562 WeakPolarHBondContact O-CG 3.33Å; A558-K562 PolarHBondContact O-N 2.94Å |
| 559 | L | 86.9 | Confident | 85.3 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 174.8 | 177.4 | 54.6 | 0 | 0 | 0 | 112.1 | M555 Y557 N561 K562 R563 I604 A606 L607 | M555-L559 WeakPolarHBondContact O-CB 3.09Å; M555-L559 PolarHBondContact O-N 3.05Å; Y557-L559 VanDerWaalsContact C-N 3.3Å; Y557-L559 PolarHBondContact O-N 3.48Å; L559-N561 VanDerWaalsContact C-N 3.33Å; L559-N561 PolarHBondContact O-N 3.16Å; L559-K562 PolarHBondContact O-N 3.14Å; L559-R563 HydrophobicContact CD1-CG 4.45Å; L559-R563 WeakPolarHBondContact O-CG 3.42Å; L559-R563 PolarHBondContact O-N 3.24Å; L559-I604 HydrophobicContact CD1-CG2 3.56Å; L559-A606 HydrophobicContact CD1-CB 4.23Å; L559-A606 HydrophobicContact CD2-CB 4Å; L559-L607 HydrophobicContact CD1-CD2 3.95Å; L559-L607 HydrophobicContact CD1-CG 4.13Å |
| 560 | N | 83.5 | Confident | 86.1 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 180 | -74.6 | -44.7 | 0 | 0 | 0 | 112 | L506 D556 Y557 R563 R564 | L506-N560 HydrophobicContact CD1-CB 4.48Å; D556-N560 PolarHBondContact O-N 2.88Å; D556-N560 VanDerWaalsContact O-N 3.07Å; D556-N560 PolarHBondContact O-ND2 3.21Å; Y557-N560 PolarHBondContact O-N 3.18Å; N560-R563 PolarHBondContact O-N 2.72Å; N560-R564 VanDerWaalsContact O-CG 3.25Å; N560-R564 WeakPolarHBondContact O-CG 3.49Å; N560-R564 PolarHBondContact O-N 3.32Å |
| 561 | N | 84.4 | Confident | 86.5 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 173.6 | 179 | 45.6 | 0 | 0 | 0 | 111.5 | H541 Y557 A558 L559 R563 R564 V565 | H541-N561 PolarHBondContact O-ND2 3.36Å; Y557-N561 HydrophobicContact CE1-CB 4.33Å; Y557-N561 VanDerWaalsContact O-CB 3.31Å; Y557-N561 WeakPolarHBondContact O-CB 3.49Å; Y557-N561 PolarHBondContact O-N 3.41Å; A558-N561 PolarHBondContact O-N 3.38Å; L559-N561 VanDerWaalsContact C-N 3.33Å; L559-N561 PolarHBondContact O-N 3.16Å; N561-R563 VanDerWaalsContact C-N 3.32Å; N561-R563 PolarHBondContact O-N 2.57Å; N561-R564 WeakPolarHBondContact O-CB 3.26Å; N561-R564 PolarHBondContact O-N 3.35Å; N561-R564 VanDerWaalsContact O-N 3.12Å; N561-V565 WeakPolarHBondContact O-CG2 3.26Å; N561-V565 PolarHBondContact O-N 2.91Å |
| 562 | K | 91.5 | Very high | 87 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.9 | -45.2 | 174.4 | -76 | 177.8 | 179.7 | -77 | 0 | 112.2 | Y542 A558 L559 R564 V565 I566 D600 L607 | Y542-K562 HydrophobicContact CD2-CB 4.11Å; Y542-K562 HydrophobicContact CD2-CG 3.88Å; Y542-K562 HydrophobicContact CE1-CD 4.42Å; Y542-K562 HydrophobicContact CE1-CG 4.44Å; Y542-K562 HydrophobicContact CE2-CB 3.67Å; Y542-K562 HydrophobicContact CE2-CD 4.22Å; Y542-K562 HydrophobicContact CE2-CG 3.64Å; Y542-K562 HydrophobicContact CG-CG 4.39Å; Y542-K562 WeakPolarHBondContact O-CG 3.49Å; Y542-K562 PolarHBondContact O-NZ 3.33Å; Y542-K562 VanDerWaalsContact O-NZ 3.12Å; A558-K562 WeakPolarHBondContact O-CG 3.33Å; A558-K562 PolarHBondContact O-N 2.94Å; L559-K562 PolarHBondContact O-N 3.14Å; K562-R564 PolarHBondContact O-N 2.85Å; K562-V565 PolarHBondContact O-N 3.11Å; K562-I566 WeakPolarHBondContact O-CD1 3.39Å; K562-I566 VanDerWaalsContact O-CG1 3.26Å; K562-I566 WeakPolarHBondContact O-CG1 3.46Å; K562-I566 PolarHBondContact O-N 2.93Å; K562-D600 WeakPolarHBondContact CE-OD2 3.22Å; K562-D600 IonicContact NZ-OD2 2.93Å; K562-D600 PolarHBondContact NZ-OD2 3.17Å; K562-L607 HydrophobicContact CB-CD2 4.43Å; K562-L607 HydrophobicContact CD-CD1 4.5Å |
| 563 | R | 89.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 38.2 Ų | 38.2 | 20% | 0.2 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.4 | -69.3 | 179.4 | 81 | -170.5 | 8 | 113.1 | L506 L559 N560 N561 R567 L607 E609 Q610 | L506-R563 HydrophobicContact CD1-CB 3.74Å; L506-R563 HydrophobicContact CD2-CB 4Å; L559-R563 HydrophobicContact CD1-CG 4.45Å; L559-R563 WeakPolarHBondContact O-CG 3.42Å; L559-R563 PolarHBondContact O-N 3.24Å; N560-R563 PolarHBondContact O-N 2.72Å; N561-R563 VanDerWaalsContact C-N 3.32Å; N561-R563 PolarHBondContact O-N 2.57Å; R563-R567 PolarHBondContact O-N 2.8Å; R563-L607 HydrophobicContact CG-CD2 3.67Å; R563-E609 IonicContact NH2-OE2 3.29Å; R563-Q610 PolarHBondContact O-NE2 2.65Å |
| 564 | R | 87.1 | Confident | 88.3 | Confident | 55 Ų | 55 | 36.2 Ų | 36.2 | 21% | 0.208 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -45 | 176.1 | -69.9 | 165.1 | 174.9 | 144.3 | 1.8 | 111.5 | L501 I504 L506 N560 N561 K562 I566 R567 L568 | L501-R564 VanDerWaalsContact O-CD 3.3Å; L501-R564 WeakPolarHBondContact O-CD 3.29Å; I504-R564 HydrophobicContact CB-CB 4.22Å; I504-R564 HydrophobicContact CB-CG 3.9Å; I504-R564 HydrophobicContact CD1-CB 4.2Å; I504-R564 WeakPolarHBondContact CD1-O 3.48Å; I504-R564 HydrophobicContact CG2-CB 4.24Å; I504-R564 HydrophobicContact CG2-CG 3.87Å; L506-R564 HydrophobicContact CD1-CG 4.23Å; L506-R564 HydrophobicContact CD2-CG 4.11Å; L506-R564 HydrophobicContact CG-CG 4.24Å; N560-R564 VanDerWaalsContact O-CG 3.25Å; N560-R564 WeakPolarHBondContact O-CG 3.49Å; N560-R564 PolarHBondContact O-N 3.32Å; N561-R564 WeakPolarHBondContact O-CB 3.26Å; N561-R564 PolarHBondContact O-N 3.35Å; N561-R564 VanDerWaalsContact O-N 3.12Å; K562-R564 PolarHBondContact O-N 2.85Å; R564-I566 PolarHBondContact O-N 2.91Å; R564-R567 PolarHBondContact O-N 2.95Å; R564-L568 PolarHBondContact O-N 3.18Å |
| 565 | V | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | L501 L538 H541 Y542 N561 K562 R567 L568 V569 F593 | L501-V565 HydrophobicContact CD1-CG2 4.33Å; L501-V565 HydrophobicContact CD2-CB 4.43Å; L501-V565 HydrophobicContact CD2-CG2 3.9Å; L538-V565 HydrophobicContact CD2-CG1 4.44Å; H541-V565 HydrophobicContact CB-CG2 3.97Å; Y542-V565 HydrophobicContact CD2-CB 4.2Å; Y542-V565 HydrophobicContact CD2-CG1 4.16Å; N561-V565 WeakPolarHBondContact O-CG2 3.26Å; N561-V565 PolarHBondContact O-N 2.91Å; K562-V565 PolarHBondContact O-N 3.11Å; V565-R567 VanDerWaalsContact C-N 3.34Å; V565-R567 PolarHBondContact O-N 2.87Å; V565-L568 PolarHBondContact O-N 2.98Å; V565-V569 HydrophobicContact CG1-CG2 4.39Å; V565-V569 WeakPolarHBondContact O-CG2 3.08Å; V565-V569 PolarHBondContact O-N 3.1Å; V565-F593 HydrophobicContact CG1-CE2 4.03Å; V565-F593 HydrophobicContact CG1-CZ 4.01Å |
| 566 | I | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 175.1 | -66.9 | 162.3 | 0 | 0 | 0 | 110.8 | Y542 K562 R564 L568 V569 L570 F593 V597 L607 Q610 | Y542-I566 HydrophobicContact CE2-CD1 4.06Å; Y542-I566 HydrophobicContact CE2-CG1 4Å; K562-I566 WeakPolarHBondContact O-CD1 3.39Å; K562-I566 VanDerWaalsContact O-CG1 3.26Å; K562-I566 WeakPolarHBondContact O-CG1 3.46Å; K562-I566 PolarHBondContact O-N 2.93Å; R564-I566 PolarHBondContact O-N 2.91Å; I566-L568 VanDerWaalsContact C-N 3.33Å; I566-L568 PolarHBondContact O-N 3.25Å; I566-V569 PolarHBondContact O-N 3.42Å; I566-L570 HydrophobicContact CG2-CD1 3.98Å; I566-L570 HydrophobicContact CG2-CG 4.31Å; I566-L570 VanDerWaalsContact O-CG 3.31Å; I566-L570 WeakPolarHBondContact O-CG 3.49Å; I566-L570 PolarHBondContact O-N 3.22Å; I566-F593 HydrophobicContact CG1-CE1 4.15Å; I566-F593 HydrophobicContact CG1-CZ 3.9Å; I566-V597 HydrophobicContact CD1-CG1 3.77Å; I566-V597 HydrophobicContact CD1-CG2 4.06Å; I566-V597 HydrophobicContact CG1-CG1 4.37Å; I566-V597 HydrophobicContact CG1-CG2 3.93Å; I566-L607 HydrophobicContact CD1-CD2 3.87Å; I566-Q610 HydrophobicContact CG2-CB 3.77Å; I566-Q610 HydrophobicContact CG2-CG 4.37Å |
| 567 | R | 90.8 | Very high | 90.1 | Very high | 32 Ų | 32 | 26.9 Ų | 26.9 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 177.5 | -179.2 | 58 | 173.8 | -160.8 | -3.2 | 111.9 | I504 D515 R563 R564 V565 L570 Q571 | I504-R567 HydrophobicContact CG2-CB 4.38Å; I504-R567 HydrophobicContact CG2-CG 4.23Å; D515-R567 IonicContact OD1-CZ 3.37Å; D515-R567 VanDerWaalsContact OD1-CZ 3.29Å; D515-R567 IonicContact OD1-NE 2.87Å; D515-R567 PolarHBondContact OD1-NE 3.18Å; D515-R567 VanDerWaalsContact OD1-NE 3.16Å; D515-R567 IonicContact OD1-NH2 3.04Å; D515-R567 PolarHBondContact OD1-NH2 2.8Å; D515-R567 IonicContact OD2-CZ 3.91Å; D515-R567 IonicContact OD2-NH2 2.8Å; D515-R567 PolarHBondContact OD2-NH2 3.06Å; R563-R567 PolarHBondContact O-N 2.8Å; R564-R567 PolarHBondContact O-N 2.95Å; V565-R567 VanDerWaalsContact C-N 3.34Å; V565-R567 PolarHBondContact O-N 2.87Å; R567-L570 PolarHBondContact O-N 3.38Å; R567-Q571 WeakPolarHBondContact O-CG 3.36Å; R567-Q571 PolarHBondContact O-N 3.29Å; R567-Q571 VanDerWaalsContact O-N 3.14Å |
| 568 | L | 92.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 177.5 | -173.3 | 71.1 | 0 | 0 | 0 | 111.4 | L497 L501 I504 L518 F521 I522 L538 R564 V565 I566 L570 Q571 W572 | L497-L568 HydrophobicContact CD1-CD2 3.57Å; L501-L568 HydrophobicContact CD2-CB 4Å; L501-L568 HydrophobicContact CD2-CD2 3.56Å; L501-L568 HydrophobicContact CD2-CG 4.39Å; L501-L568 HydrophobicContact CG-CD2 3.99Å; I504-L568 HydrophobicContact CD1-CB 4.11Å; L518-L568 HydrophobicContact CD1-CD1 4.05Å; L518-L568 HydrophobicContact CD2-CD1 3.84Å; L518-L568 HydrophobicContact CG-CD1 4.37Å; F521-L568 HydrophobicContact CD1-CD1 4.36Å; F521-L568 HydrophobicContact CE1-CD2 4.46Å; I522-L568 HydrophobicContact CD1-CD1 4.08Å; I522-L568 HydrophobicContact CG1-CD1 4.09Å; L538-L568 HydrophobicContact CD2-CD2 3.62Å; R564-L568 PolarHBondContact O-N 3.18Å; V565-L568 PolarHBondContact O-N 2.98Å; I566-L568 VanDerWaalsContact C-N 3.33Å; I566-L568 PolarHBondContact O-N 3.25Å; L568-L570 PolarHBondContact O-N 3.06Å; L568-Q571 PolarHBondContact O-N 3.13Å; L568-W572 WeakPolarHBondContact O-CB 3.26Å; L568-W572 PolarHBondContact O-N 3.33Å |
| 569 | V | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | L538 V565 I566 Q571 W572 A573 F589 L590 F593 L614 | L538-V569 HydrophobicContact CD1-CG2 4.06Å; V565-V569 HydrophobicContact CG1-CG2 4.39Å; V565-V569 WeakPolarHBondContact O-CG2 3.08Å; V565-V569 PolarHBondContact O-N 3.1Å; I566-V569 PolarHBondContact O-N 3.42Å; V569-Q571 PolarHBondContact O-N 2.95Å; V569-W572 HydrophobicContact CG1-CE3 4.43Å; V569-W572 PolarHBondContact O-N 3.14Å; V569-A573 WeakPolarHBondContact O-CB 3.5Å; V569-A573 PolarHBondContact O-N 2.95Å; V569-F589 HydrophobicContact CG1-CE1 4.23Å; V569-F589 HydrophobicContact CG2-CE1 4.15Å; V569-F589 HydrophobicContact CG2-CZ 3.9Å; V569-L590 HydrophobicContact CG1-CD2 3.86Å; V569-F593 HydrophobicContact CB-CD1 4.45Å; V569-F593 HydrophobicContact CB-CE1 3.92Å; V569-F593 HydrophobicContact CB-CZ 4.41Å; V569-F593 HydrophobicContact CG1-CD1 3.91Å; V569-F593 HydrophobicContact CG1-CE1 3.84Å; V569-F593 HydrophobicContact CG2-CD1 4.35Å; V569-F593 HydrophobicContact CG2-CE1 3.85Å; V569-F593 HydrophobicContact CG2-CE2 4.47Å; V569-F593 HydrophobicContact CG2-CZ 3.92Å; V569-L614 HydrophobicContact CG1-CD1 4.37Å |
| 570 | L | 92.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.2 | -71.5 | 169.9 | 0 | 0 | 0 | 111.6 | I566 R567 L568 A573 A574 E613 L614 I617 | I566-L570 HydrophobicContact CG2-CD1 3.98Å; I566-L570 HydrophobicContact CG2-CG 4.31Å; I566-L570 VanDerWaalsContact O-CG 3.31Å; I566-L570 WeakPolarHBondContact O-CG 3.49Å; I566-L570 PolarHBondContact O-N 3.22Å; R567-L570 PolarHBondContact O-N 3.38Å; L568-L570 PolarHBondContact O-N 3.06Å; L570-A573 PolarHBondContact O-N 3.45Å; L570-A574 WeakPolarHBondContact O-CB 3.46Å; L570-A574 PolarHBondContact O-N 3.3Å; L570-E613 HydrophobicContact CD1-CB 4.4Å; L570-E613 HydrophobicContact CD2-CB 3.94Å; L570-L614 HydrophobicContact CD2-CB 4.14Å; L570-L614 HydrophobicContact CD2-CD1 4.23Å; L570-I617 HydrophobicContact CD2-CD1 3.81Å |
| 571 | Q | 92.6 | Very high | 90.9 | Very high | 41 Ų | 41 | 24.4 Ų | 24.4 | 19% | 0.192 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | 178.4 | -66.4 | -65.3 | -35.2 | 0 | 0 | 112.1 | D515 L518 I522 R567 L568 V569 A574 M575 | D515-Q571 VanDerWaalsContact CG-CD 3.47Å; D515-Q571 VanDerWaalsContact OD1-CD 3.32Å; D515-Q571 PolarHBondContact OD1-NE2 3.47Å; D515-Q571 VanDerWaalsContact OD1-NE2 3.11Å; D515-Q571 PolarHBondContact OD2-NE2 3.21Å; L518-Q571 HydrophobicContact CD1-CG 4.41Å; I522-Q571 HydrophobicContact CD1-CB 3.28Å; I522-Q571 HydrophobicContact CD1-CG 4.45Å; R567-Q571 WeakPolarHBondContact O-CG 3.36Å; R567-Q571 PolarHBondContact O-N 3.29Å; R567-Q571 VanDerWaalsContact O-N 3.14Å; L568-Q571 PolarHBondContact O-N 3.13Å; V569-Q571 PolarHBondContact O-N 2.95Å; Q571-A574 PolarHBondContact O-N 2.93Å; Q571-M575 PolarHBondContact O-N 2.85Å |
| 572 | W | 95.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 172.8 | 167.7 | 87.8 | 0 | 0 | 0 | 111.3 | I522 H525 N531 L568 V569 A574 M575 Y576 L580 F589 L590 | I522-W572 HydrophobicContact CG2-CB 4.36Å; H525-W572 AromaticContact CE1-NE1 3.98Å; H525-W572 AromaticContact NE2-CD1 3.68Å; H525-W572 AromaticContact NE2-NE1 3.59Å; N531-W572 PolarHBondContact OD1-NE1 3.15Å; L568-W572 WeakPolarHBondContact O-CB 3.26Å; L568-W572 PolarHBondContact O-N 3.33Å; V569-W572 HydrophobicContact CG1-CE3 4.43Å; V569-W572 PolarHBondContact O-N 3.14Å; W572-A574 VanDerWaalsContact C-N 3.32Å; W572-A574 PolarHBondContact O-N 3.17Å; W572-M575 WeakPolarHBondContact O-CB 3.25Å; W572-M575 PolarHBondContact O-N 3.36Å; W572-Y576 AromaticContact CD1-CD2 3.96Å; W572-Y576 AromaticContact CD1-CE2 3.6Å; W572-Y576 HydrophobicContact CG-CD2 4.44Å; W572-Y576 HydrophobicContact CG-CE2 4.48Å; W572-Y576 AromaticContact NE1-CD2 3.76Å; W572-Y576 AromaticContact NE1-CE2 3.29Å; W572-Y576 VanDerWaalsContact NE1-CE2 3.29Å; W572-Y576 WeakPolarHBondContact O-CD2 3.37Å; W572-Y576 PolarHBondContact O-N 3.3Å; W572-L580 HydrophobicContact CH2-CD2 3.58Å; W572-L580 HydrophobicContact CZ2-CD2 3.92Å; W572-L580 HydrophobicContact CZ3-CD2 3.97Å; W572-F589 HydrophobicContact CH2-CD1 4.02Å; W572-F589 HydrophobicContact CH2-CE1 4.4Å; W572-F589 HydrophobicContact CZ3-CD1 4.06Å; W572-F589 HydrophobicContact CZ3-CE1 4.07Å; W572-L590 HydrophobicContact CE3-CD2 4.49Å; W572-L590 HydrophobicContact CH2-CD1 4.26Å; W572-L590 HydrophobicContact CH2-CG 4.19Å; W572-L590 HydrophobicContact CZ3-CD1 3.79Å; W572-L590 HydrophobicContact CZ3-CD2 3.75Å; W572-L590 HydrophobicContact CZ3-CG 3.65Å |
| 573 | A | 93.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V569 L570 Y576 G577 L580 I617 | V569-A573 WeakPolarHBondContact O-CB 3.5Å; V569-A573 PolarHBondContact O-N 2.95Å; L570-A573 PolarHBondContact O-N 3.45Å; A573-Y576 PolarHBondContact O-N 3.49Å; A573-G577 PolarHBondContact O-N 2.92Å; A573-L580 HydrophobicContact CB-CD1 4.08Å; A573-I617 HydrophobicContact CB-CD1 4.07Å; A573-I617 HydrophobicContact CB-CG2 3.98Å |
| 574 | A | 92.1 | Very high | 90.2 | Very high | 69 Ų | 69 | 29.6 Ų | 29.6 | 57% | 0.57 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -64.9 | -35.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L570 Q571 W572 | L570-A574 WeakPolarHBondContact O-CB 3.46Å; L570-A574 PolarHBondContact O-N 3.3Å; Q571-A574 PolarHBondContact O-N 2.93Å; W572-A574 VanDerWaalsContact C-N 3.32Å; W572-A574 PolarHBondContact O-N 3.17Å |
| 575 | M | 93.4 | Very high | 90.5 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 175.5 | 175 | 66.1 | 71.6 | 0 | 0 | 112.1 | I522 M523 Q571 W572 H780 L782 | I522-M575 HydrophobicContact CG2-CB 3.44Å; I522-M575 VanDerWaalsContact CG2-CB 3.44Å; I522-M575 HydrophobicContact CG2-CE 4.17Å; I522-M575 HydrophobicContact CG2-CG 3.83Å; M523-M575 HydrophobicContact CB-CE 3.79Å; M523-M575 HydrophobicContact CE-CE 3.73Å; M523-M575 HydrophobicContact CE-SD 4.36Å; M523-M575 HydrophobicContact CG-CE 4.21Å; Q571-M575 PolarHBondContact O-N 2.85Å; W572-M575 WeakPolarHBondContact O-CB 3.25Å; W572-M575 PolarHBondContact O-N 3.36Å; M575-H780 PolarHBondContact O-CE1 3.28Å; M575-H780 PolarHBondContact O-NE2 3.36Å; M575-H780 VanDerWaalsContact O-NE2 3.12Å; M575-L782 HydrophobicContact CG-CD2 4.46Å |
| 576 | Y | 92.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -77.8 | -37 | -179.5 | -80.2 | -100.9 | 0 | 0 | 0 | 112.1 | H525 W572 A573 D578 L579 L580 L782 | H525-Y576 PolarHBondContact CE1-OH 3.45Å; H525-Y576 AromaticContact NE2-CE2 3.41Å; H525-Y576 WeakPolarHBondContact NE2-CE2 3.36Å; H525-Y576 AromaticContact NE2-CZ 3.56Å; H525-Y576 PolarHBondContact NE2-OH 3.42Å; W572-Y576 AromaticContact CD1-CD2 3.96Å; W572-Y576 AromaticContact CD1-CE2 3.6Å; W572-Y576 HydrophobicContact CG-CD2 4.44Å; W572-Y576 HydrophobicContact CG-CE2 4.48Å; W572-Y576 AromaticContact NE1-CD2 3.76Å; W572-Y576 AromaticContact NE1-CE2 3.29Å; W572-Y576 VanDerWaalsContact NE1-CE2 3.29Å; W572-Y576 WeakPolarHBondContact O-CD2 3.37Å; W572-Y576 PolarHBondContact O-N 3.3Å; A573-Y576 PolarHBondContact O-N 3.49Å; Y576-D578 PolarHBondContact O-N 2.84Å; Y576-L579 HydrophobicContact CD1-CB 4.3Å; Y576-L579 VanDerWaalsContact O-CB 3.3Å; Y576-L579 WeakPolarHBondContact O-CB 3.23Å; Y576-L579 PolarHBondContact O-N 3.25Å; Y576-L580 HydrophobicContact CG-CD2 4.1Å; Y576-L580 HydrophobicContact CG-CG 4.49Å; Y576-L782 HydrophobicContact CD1-CD1 3.84Å; Y576-L782 HydrophobicContact CD2-CD1 4.37Å; Y576-L782 HydrophobicContact CE1-CD1 3.78Å; Y576-L782 HydrophobicContact CE2-CD1 4.31Å; Y576-L782 HydrophobicContact CG-CD1 4.14Å |
| 577 | G | 90.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | 50 | -121.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | A573 L579 L580 | A573-G577 PolarHBondContact O-N 2.92Å; G577-L579 PolarHBondContact O-N 3.49Å; G577-L580 WeakPolarHBondContact O-CG 3.47Å; G577-L580 PolarHBondContact O-N 3.42Å |
| 578 | D | 86.1 | Confident | 90.4 | Very high | 71 Ų | 71 | 33.1 Ų | 33.1 | 38% | 0.38 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -61.3 | -23.5 | 179.5 | -74.4 | -0.6 | 0 | 0 | 0 | 114.3 | Y576 L580 Q581 R653 | Y576-D578 PolarHBondContact O-N 2.84Å; D578-L580 PolarHBondContact O-N 2.9Å; D578-Q581 PolarHBondContact O-N 2.6Å; D578-R653 IonicContact OD1-NH2 3.29Å; D578-R653 IonicContact OD2-CZ 2.92Å; D578-R653 IonicContact OD2-NH2 3.96Å; D578-R653 PolarHBondContact OD2-NH2 2.98Å |
| 579 | L | 88.4 | Confident | 90.5 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -69.7 | -14.5 | -179.3 | -66.9 | 175.9 | 0 | 0 | 0 | 113.2 | Y576 G577 Q581 E582 H780 L782 | Y576-L579 HydrophobicContact CD1-CB 4.3Å; Y576-L579 VanDerWaalsContact O-CB 3.3Å; Y576-L579 WeakPolarHBondContact O-CB 3.23Å; Y576-L579 PolarHBondContact O-N 3.25Å; G577-L579 PolarHBondContact O-N 3.49Å; L579-Q581 PolarHBondContact O-N 3.03Å; L579-E582 PolarHBondContact O-N 2.91Å; L579-E582 VanDerWaalsContact O-N 3.09Å; L579-H780 HydrophobicContact CD1-CB 4.07Å; L579-H780 VanDerWaalsContact CD1-CG 3.45Å; L579-H780 VanDerWaalsContact CD1-ND1 3.35Å; L579-H780 WeakPolarHBondContact CD1-ND1 3.35Å; L579-L782 HydrophobicContact CD1-CD1 4.22Å |
| 580 | L | 88.6 | Confident | 90.4 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -57.6 | -32.1 | 174.2 | -71.5 | 168 | 0 | 0 | 0 | 111.8 | W572 A573 Y576 G577 D578 E582 G583 M587 L590 I621 | W572-L580 HydrophobicContact CH2-CD2 3.58Å; W572-L580 HydrophobicContact CZ2-CD2 3.92Å; W572-L580 HydrophobicContact CZ3-CD2 3.97Å; A573-L580 HydrophobicContact CB-CD1 4.08Å; Y576-L580 HydrophobicContact CG-CD2 4.1Å; Y576-L580 HydrophobicContact CG-CG 4.49Å; G577-L580 WeakPolarHBondContact O-CG 3.47Å; G577-L580 PolarHBondContact O-N 3.42Å; D578-L580 PolarHBondContact O-N 2.9Å; L580-E582 PolarHBondContact O-N 3.08Å; L580-E582 VanDerWaalsContact O-N 3.13Å; L580-G583 PolarHBondContact O-N 2.77Å; L580-M587 HydrophobicContact CB-SD 4.13Å; L580-M587 WeakPolarHBondContact O-CG 3.24Å; L580-L590 HydrophobicContact CD1-CD1 3.66Å; L580-L590 HydrophobicContact CD2-CD1 4.15Å; L580-L590 HydrophobicContact CG-CD1 4.42Å; L580-I621 HydrophobicContact CB-CD1 4.27Å; L580-I621 HydrophobicContact CD1-CD1 3.54Å |
| 581 | Q | 83.9 | Confident | 90.3 | Very high | 51 Ų | 51 | 38.1 Ų | 38.1 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -63.6 | -18.3 | 178.9 | -64.5 | 178.5 | 7.9 | 0 | 0 | 113.4 | D578 L579 I621 | D578-Q581 PolarHBondContact O-N 2.6Å; L579-Q581 PolarHBondContact O-N 3.03Å; Q581-I621 HydrophobicContact CG-CG2 3.64Å |
| 582 | E | 82.8 | Confident | 90.4 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -89.6 | 0.4 | 177.8 | -55.4 | -171.9 | 170.8 | 0 | 0 | 113.2 | L579 L580 G654 K796 | L579-E582 PolarHBondContact O-N 2.91Å; L579-E582 VanDerWaalsContact O-N 3.09Å; L580-E582 PolarHBondContact O-N 3.08Å; L580-E582 VanDerWaalsContact O-N 3.13Å; E582-G654 PolarHBondContact OE1-N 2.98Å; E582-K796 PolarHBondContact O-NZ 2.69Å; E582-K796 IonicContact OE2-NZ 3.72Å; E582-K796 PolarHBondContact OE2-NZ 3.2Å |
| 583 | G | 82.7 | Confident | 90.4 | Very high | 15 Ų | 15 | 42 Ų | 42 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | trans | -126.6 | 100.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L580 V585 S586 M587 | L580-G583 PolarHBondContact O-N 2.77Å; G583-V585 VanDerWaalsContact C-N 3.26Å; G583-V585 PolarHBondContact O-N 2.82Å; G583-S586 WeakPolarHBondContact O-CB 3.26Å; G583-S586 PolarHBondContact O-N 2.91Å; G583-M587 PolarHBondContact O-N 3.39Å | ||
| 584 | D | 86.6 | Confident | 90.4 | Very high | 139 Ų | 139 | 44.6 Ų | 44.6 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -55.7 | -40.9 | -179.7 | -58.7 | -27.8 | 0 | 0 | 0 | 112.4 | M587 A588 | D584-M587 PolarHBondContact O-N 2.85Å; D584-A588 WeakPolarHBondContact O-CB 3.48Å; D584-A588 PolarHBondContact O-N 2.96Å |
| 585 | V | 92.8 | Very high | 90.5 | Very high | 69 Ų | 69 | 45 Ų | 45 | 42% | 0.418 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | T532 G583 F589 | T532-V585 HydrophobicContact CG2-CG2 4.32Å; G583-V585 VanDerWaalsContact C-N 3.26Å; G583-V585 PolarHBondContact O-N 2.82Å; V585-F589 VanDerWaalsContact O-CB 3.26Å; V585-F589 WeakPolarHBondContact O-CB 3.47Å; V585-F589 PolarHBondContact O-N 3.16Å |
| 586 | S | 92.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 179.8 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | N531 G583 L590 | N531-S586 PolarHBondContact ND2-OG 3.04Å; G583-S586 WeakPolarHBondContact O-CB 3.26Å; G583-S586 PolarHBondContact O-N 2.91Å; S586-L590 PolarHBondContact O-N 3.33Å; S586-L590 VanDerWaalsContact O-N 3.08Å |
| 587 | M | 89.8 | Confident | 90.7 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 17% | 0.167 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.2 | -49.9 | 177.6 | -74.2 | -56.3 | -58.1 | 0 | 0 | 112.1 | L580 G583 D584 F589 L590 E591 I621 | L580-M587 HydrophobicContact CB-SD 4.13Å; L580-M587 WeakPolarHBondContact O-CG 3.24Å; G583-M587 PolarHBondContact O-N 3.39Å; D584-M587 PolarHBondContact O-N 2.85Å; M587-F589 VanDerWaalsContact C-N 3.29Å; M587-F589 PolarHBondContact O-N 3.04Å; M587-L590 PolarHBondContact O-N 2.92Å; M587-L590 VanDerWaalsContact O-N 3.15Å; M587-E591 WeakPolarHBondContact O-CG 3.35Å; M587-E591 PolarHBondContact O-N 3.43Å; M587-I621 HydrophobicContact CE-CB 4.19Å; M587-I621 HydrophobicContact CE-CG2 3.38Å; M587-I621 HydrophobicContact SD-CB 4.49Å; M587-I621 HydrophobicContact SD-CD1 4.49Å; M587-I621 HydrophobicContact SD-CG2 3.44Å; M587-I621 WeakPolarHBondContact SD-CG2 3.36Å |
| 588 | A | 92.3 | Very high | 90.7 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 44% | 0.438 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D584 E591 E592 | D584-A588 WeakPolarHBondContact O-CB 3.48Å; D584-A588 PolarHBondContact O-N 2.96Å; A588-E591 PolarHBondContact O-N 3.29Å; A588-E592 WeakPolarHBondContact O-CB 3.43Å; A588-E592 PolarHBondContact O-N 3.11Å |
| 589 | F | 95.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 174.9 | 165.7 | -105.2 | 0 | 0 | 0 | 112.4 | C535 L538 V539 V569 W572 V585 M587 E591 E592 F593 | C535-F589 HydrophobicContact CB-CB 3.8Å; C535-F589 HydrophobicContact CB-CD1 4.13Å; C535-F589 HydrophobicContact CB-CD2 3.7Å; C535-F589 HydrophobicContact CB-CE2 4.32Å; C535-F589 HydrophobicContact CB-CG 3.58Å; L538-F589 HydrophobicContact CB-CE2 4.14Å; L538-F589 HydrophobicContact CB-CZ 3.93Å; L538-F589 HydrophobicContact CD1-CE1 4.28Å; L538-F589 HydrophobicContact CD1-CZ 3.93Å; V539-F589 HydrophobicContact CG2-CD2 3.83Å; V539-F589 HydrophobicContact CG2-CE2 3.65Å; V569-F589 HydrophobicContact CG1-CE1 4.23Å; V569-F589 HydrophobicContact CG2-CE1 4.15Å; V569-F589 HydrophobicContact CG2-CZ 3.9Å; W572-F589 HydrophobicContact CH2-CD1 4.02Å; W572-F589 HydrophobicContact CH2-CE1 4.4Å; W572-F589 HydrophobicContact CZ3-CD1 4.06Å; W572-F589 HydrophobicContact CZ3-CE1 4.07Å; V585-F589 VanDerWaalsContact O-CB 3.26Å; V585-F589 WeakPolarHBondContact O-CB 3.47Å; V585-F589 PolarHBondContact O-N 3.16Å; M587-F589 VanDerWaalsContact C-N 3.29Å; M587-F589 PolarHBondContact O-N 3.04Å; F589-E591 PolarHBondContact O-N 3.33Å; F589-E592 PolarHBondContact O-N 3.11Å; F589-F593 HydrophobicContact CD2-CB 4.45Å; F589-F593 HydrophobicContact CE2-CB 4.12Å; F589-F593 HydrophobicContact CE2-CD2 4.13Å; F589-F593 HydrophobicContact CE2-CG 4.29Å; F589-F593 HydrophobicContact CZ-CB 4.23Å; F589-F593 HydrophobicContact CZ-CD2 4.14Å; F589-F593 HydrophobicContact CZ-CG 4.11Å; F589-F593 WeakPolarHBondContact O-CB 3.48Å; F589-F593 PolarHBondContact O-N 3.38Å |
| 590 | L | 93.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | -178.9 | -83.9 | 174 | 0 | 0 | 0 | 112.8 | V569 W572 L580 S586 M587 Y594 L614 I621 | V569-L590 HydrophobicContact CG1-CD2 3.86Å; W572-L590 HydrophobicContact CE3-CD2 4.49Å; W572-L590 HydrophobicContact CH2-CD1 4.26Å; W572-L590 HydrophobicContact CH2-CG 4.19Å; W572-L590 HydrophobicContact CZ3-CD1 3.79Å; W572-L590 HydrophobicContact CZ3-CD2 3.75Å; W572-L590 HydrophobicContact CZ3-CG 3.65Å; L580-L590 HydrophobicContact CD1-CD1 3.66Å; L580-L590 HydrophobicContact CD2-CD1 4.15Å; L580-L590 HydrophobicContact CG-CD1 4.42Å; S586-L590 PolarHBondContact O-N 3.33Å; S586-L590 VanDerWaalsContact O-N 3.08Å; M587-L590 PolarHBondContact O-N 2.92Å; M587-L590 VanDerWaalsContact O-N 3.15Å; L590-Y594 VanDerWaalsContact O-CB 3.24Å; L590-Y594 WeakPolarHBondContact O-CB 3.36Å; L590-Y594 PolarHBondContact O-N 2.89Å; L590-L614 HydrophobicContact CD2-CD1 4.37Å; L590-I621 HydrophobicContact CD1-CD1 4.24Å |
| 591 | E | 91.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.9 | -48.6 | 176.7 | -70.5 | 176.4 | 176.8 | 0 | 0 | 111.1 | M587 A588 F589 Y594 V595 | M587-E591 WeakPolarHBondContact O-CG 3.35Å; M587-E591 PolarHBondContact O-N 3.43Å; A588-E591 PolarHBondContact O-N 3.29Å; F589-E591 PolarHBondContact O-N 3.33Å; E591-Y594 PolarHBondContact O-N 2.94Å; E591-V595 WeakPolarHBondContact O-CG2 3.4Å; E591-V595 PolarHBondContact O-N 3.19Å |
| 592 | E | 94.4 | Very high | 91.7 | Very high | 125 Ų | 125 | 50.8 Ų | 50.8 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.4 | -45.5 | 177.7 | -172.2 | 177.6 | 177.8 | 0 | 0 | 111.7 | A588 F589 Y594 V595 S596 | A588-E592 WeakPolarHBondContact O-CB 3.43Å; A588-E592 PolarHBondContact O-N 3.11Å; F589-E592 PolarHBondContact O-N 3.11Å; E592-Y594 VanDerWaalsContact C-N 3.34Å; E592-Y594 PolarHBondContact O-N 3.49Å; E592-V595 WeakPolarHBondContact O-CB 3.03Å; E592-V595 PolarHBondContact O-N 3.29Å; E592-V595 VanDerWaalsContact O-N 3.14Å; E592-S596 PolarHBondContact O-N 3.34Å; E592-S596 PolarHBondContact O-OG 3.46Å |
| 593 | F | 95.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 179 | -173.5 | -103.6 | 0 | 0 | 0 | 111.9 | Y542 V565 I566 V569 F589 V595 S596 V597 L614 | Y542-F593 HydrophobicContact CD1-CE2 4.43Å; Y542-F593 AromaticContact CD2-CE2 3.65Å; Y542-F593 HydrophobicContact CD2-CE2 3.65Å; Y542-F593 AromaticContact CD2-CZ 3.94Å; Y542-F593 HydrophobicContact CD2-CZ 3.94Å; Y542-F593 HydrophobicContact CE2-CE2 4.17Å; Y542-F593 HydrophobicContact CE2-CZ 4.18Å; Y542-F593 AromaticContact CG-CE2 3.8Å; Y542-F593 HydrophobicContact CG-CE2 3.8Å; V565-F593 HydrophobicContact CG1-CE2 4.03Å; V565-F593 HydrophobicContact CG1-CZ 4.01Å; I566-F593 HydrophobicContact CG1-CE1 4.15Å; I566-F593 HydrophobicContact CG1-CZ 3.9Å; V569-F593 HydrophobicContact CB-CD1 4.45Å; V569-F593 HydrophobicContact CB-CE1 3.92Å; V569-F593 HydrophobicContact CB-CZ 4.41Å; V569-F593 HydrophobicContact CG1-CD1 3.91Å; V569-F593 HydrophobicContact CG1-CE1 3.84Å; V569-F593 HydrophobicContact CG2-CD1 4.35Å; V569-F593 HydrophobicContact CG2-CE1 3.85Å; V569-F593 HydrophobicContact CG2-CE2 4.47Å; V569-F593 HydrophobicContact CG2-CZ 3.92Å; F589-F593 HydrophobicContact CD2-CB 4.45Å; F589-F593 HydrophobicContact CE2-CB 4.12Å; F589-F593 HydrophobicContact CE2-CD2 4.13Å; F589-F593 HydrophobicContact CE2-CG 4.29Å; F589-F593 HydrophobicContact CZ-CB 4.23Å; F589-F593 HydrophobicContact CZ-CD2 4.14Å; F589-F593 HydrophobicContact CZ-CG 4.11Å; F589-F593 WeakPolarHBondContact O-CB 3.48Å; F589-F593 PolarHBondContact O-N 3.38Å; F593-V595 VanDerWaalsContact C-N 3.33Å; F593-V595 PolarHBondContact O-N 3Å; F593-S596 PolarHBondContact O-N 3.41Å; F593-V597 HydrophobicContact CD1-CG2 4.03Å; F593-V597 HydrophobicContact CE1-CG2 3.68Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CG-CG2 4.46Å; F593-V597 HydrophobicContact CZ-CG2 3.82Å; F593-V597 VanDerWaalsContact O-CG2 3.26Å; F593-V597 WeakPolarHBondContact O-CG2 3.37Å; F593-V597 PolarHBondContact O-N 3.35Å; F593-L614 HydrophobicContact CD1-CD2 3.99Å; F593-L614 HydrophobicContact CE1-CD2 4.15Å |
| 594 | Y | 94 | Very high | 92 | Very high | 55 Ų | 55 | 59.2 Ų | 59.2 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 174.2 | 170.9 | -104.8 | 0 | 0 | 0 | 112.2 | L590 E591 E592 S598 L611 L614 E615 V618 | L590-Y594 VanDerWaalsContact O-CB 3.24Å; L590-Y594 WeakPolarHBondContact O-CB 3.36Å; L590-Y594 PolarHBondContact O-N 2.89Å; E591-Y594 PolarHBondContact O-N 2.94Å; E592-Y594 VanDerWaalsContact C-N 3.34Å; E592-Y594 PolarHBondContact O-N 3.49Å; Y594-S598 WeakPolarHBondContact CE2-OG 3.27Å; Y594-S598 VanDerWaalsContact O-CB 3.25Å; Y594-S598 WeakPolarHBondContact O-CB 3.43Å; Y594-S598 PolarHBondContact O-N 2.84Å; Y594-S598 PolarHBondContact O-OG 3.38Å; Y594-L611 HydrophobicContact CD2-CD1 4.15Å; Y594-L611 HydrophobicContact CE2-CD1 3.77Å; Y594-L614 HydrophobicContact CD2-CD2 4.11Å; Y594-L614 HydrophobicContact CD2-CG 4.06Å; Y594-E615 HydrophobicContact CE2-CB 3.73Å; Y594-E615 HydrophobicContact CE2-CG 4.12Å; Y594-V618 HydrophobicContact CG-CG2 4.32Å |
| 595 | V | 94.1 | Very high | 91.9 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 47% | 0.473 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | E591 E592 F593 V597 S598 D599 | E591-V595 WeakPolarHBondContact O-CG2 3.4Å; E591-V595 PolarHBondContact O-N 3.19Å; E592-V595 WeakPolarHBondContact O-CB 3.03Å; E592-V595 PolarHBondContact O-N 3.29Å; E592-V595 VanDerWaalsContact O-N 3.14Å; F593-V595 VanDerWaalsContact C-N 3.33Å; F593-V595 PolarHBondContact O-N 3Å; V595-V597 PolarHBondContact O-N 2.96Å; V595-S598 WeakPolarHBondContact O-CB 3.4Å; V595-S598 PolarHBondContact O-N 3.4Å; V595-S598 VanDerWaalsContact O-N 3.16Å; V595-D599 PolarHBondContact O-N 2.96Å |
| 596 | S | 94.4 | Very high | 91.3 | Very high | 26 Ų | 26 | 55 Ų | 55 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | E592 F593 S598 D599 D600 | E592-S596 PolarHBondContact O-N 3.34Å; E592-S596 PolarHBondContact O-OG 3.46Å; F593-S596 PolarHBondContact O-N 3.41Å; S596-S598 VanDerWaalsContact C-N 3.34Å; S596-S598 PolarHBondContact O-N 2.94Å; S596-D599 PolarHBondContact O-N 2.98Å; S596-D600 PolarHBondContact O-N 3.18Å |
| 597 | V | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 179 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | Y542 I566 F593 V595 A601 L611 L614 | Y542-V597 HydrophobicContact CE2-CG2 3.97Å; Y542-V597 WeakPolarHBondContact OH-CA 3.17Å; I566-V597 HydrophobicContact CD1-CG1 3.77Å; I566-V597 HydrophobicContact CD1-CG2 4.06Å; I566-V597 HydrophobicContact CG1-CG1 4.37Å; I566-V597 HydrophobicContact CG1-CG2 3.93Å; F593-V597 HydrophobicContact CD1-CG2 4.03Å; F593-V597 HydrophobicContact CE1-CG2 3.68Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CG-CG2 4.46Å; F593-V597 HydrophobicContact CZ-CG2 3.82Å; F593-V597 VanDerWaalsContact O-CG2 3.26Å; F593-V597 WeakPolarHBondContact O-CG2 3.37Å; F593-V597 PolarHBondContact O-N 3.35Å; V595-V597 PolarHBondContact O-N 2.96Å; V597-A601 WeakPolarHBondContact O-CB 3.29Å; V597-A601 PolarHBondContact O-N 3.44Å; V597-L611 HydrophobicContact CG1-CD1 4.05Å; V597-L614 HydrophobicContact CB-CD2 4.21Å; V597-L614 HydrophobicContact CG1-CD2 4.42Å; V597-L614 HydrophobicContact CG2-CD2 4.17Å |
| 598 | S | 92.3 | Very high | 90.5 | Very high | 18 Ų | 18 | 59 Ų | 59 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 177.3 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | Y594 V595 S596 R602 L611 | Y594-S598 WeakPolarHBondContact CE2-OG 3.27Å; Y594-S598 VanDerWaalsContact O-CB 3.25Å; Y594-S598 WeakPolarHBondContact O-CB 3.43Å; Y594-S598 PolarHBondContact O-N 2.84Å; Y594-S598 PolarHBondContact O-OG 3.38Å; V595-S598 WeakPolarHBondContact O-CB 3.4Å; V595-S598 PolarHBondContact O-N 3.4Å; V595-S598 VanDerWaalsContact O-N 3.16Å; S596-S598 VanDerWaalsContact C-N 3.34Å; S596-S598 PolarHBondContact O-N 2.94Å; S598-R602 WeakPolarHBondContact O-CG 3.42Å; S598-R602 PolarHBondContact O-N 3.46Å; S598-L611 WeakPolarHBondContact OG-CD1 3.49Å |
| 599 | D | 93.2 | Very high | 89.9 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 175.3 | -73.5 | -20.7 | 0 | 0 | 0 | 110.9 | V595 S596 A601 R602 | V595-D599 PolarHBondContact O-N 2.96Å; S596-D599 PolarHBondContact O-N 2.98Å; D599-A601 PolarHBondContact O-N 3.34Å; D599-R602 WeakPolarHBondContact O-CB 3.36Å; D599-R602 PolarHBondContact O-N 3.3Å; D599-R602 IonicContact OD1-CZ 3.04Å; D599-R602 VanDerWaalsContact OD1-CZ 3.24Å; D599-R602 IonicContact OD1-NE 2.79Å; D599-R602 IonicContact OD1-NH2 2.7Å; D599-R602 PolarHBondContact OD1-NH2 2.86Å |
| 600 | D | 92.6 | Very high | 89.1 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 177.7 | -78.8 | -9.5 | 0 | 0 | 0 | 112.3 | Y542 K562 S596 R602 M603 I604 L607 | Y542-D600 WeakPolarHBondContact CE1-OD2 3.42Å; Y542-D600 PolarHBondContact OH-OD2 3.46Å; Y542-D600 VanDerWaalsContact OH-OD2 3.06Å; K562-D600 WeakPolarHBondContact CE-OD2 3.22Å; K562-D600 IonicContact NZ-OD2 2.93Å; K562-D600 PolarHBondContact NZ-OD2 3.17Å; S596-D600 PolarHBondContact O-N 3.18Å; D600-R602 PolarHBondContact O-N 3.33Å; D600-M603 PolarHBondContact O-N 2.87Å; D600-I604 HydrophobicContact CB-CD1 4.47Å; D600-I604 WeakPolarHBondContact O-CB 3.37Å; D600-I604 PolarHBondContact O-N 3.31Å; D600-L607 HydrophobicContact CB-CD1 3.79Å |
| 601 | A | 91.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -18.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V597 D599 M603 L607 K608 L611 | V597-A601 WeakPolarHBondContact O-CB 3.29Å; V597-A601 PolarHBondContact O-N 3.44Å; D599-A601 PolarHBondContact O-N 3.34Å; A601-M603 VanDerWaalsContact C-N 3.34Å; A601-L607 HydrophobicContact CB-CB 4.04Å; A601-K608 HydrophobicContact CB-CG 4.33Å; A601-K608 WeakPolarHBondContact O-CE 3.36Å; A601-L611 HydrophobicContact CB-CD2 4.08Å |
| 602 | R | 89.8 | Confident | 88.7 | Confident | 184 Ų | 184 | 63.8 Ų | 63.8 | 69% | 0.694 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -69.3 | -34.6 | 170.1 | -71.3 | -179.3 | -119.2 | -169.7 | -2.9 | 111.7 | S598 D599 D600 | S598-R602 WeakPolarHBondContact O-CG 3.42Å; S598-R602 PolarHBondContact O-N 3.46Å; D599-R602 WeakPolarHBondContact O-CB 3.36Å; D599-R602 PolarHBondContact O-N 3.3Å; D599-R602 IonicContact OD1-CZ 3.04Å; D599-R602 VanDerWaalsContact OD1-CZ 3.24Å; D599-R602 IonicContact OD1-NE 2.79Å; D599-R602 IonicContact OD1-NH2 2.7Å; D599-R602 PolarHBondContact OD1-NH2 2.86Å; D600-R602 PolarHBondContact O-N 3.33Å |
| 603 | M | 86.3 | Confident | 88.3 | Confident | 174 Ų | 174 | 62.8 Ų | 62.8 | 86% | 0.857 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -94.2 | -31.6 | -179.3 | -57.9 | -167.3 | -176.2 | 0 | 0 | 112.5 | D600 A601 | D600-M603 PolarHBondContact O-N 2.87Å; A601-M603 VanDerWaalsContact C-N 3.34Å |
| 604 | I | 86.8 | Confident | 87.8 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | trans | -115.2 | 101 | -172.7 | -55 | 172.8 | 0 | 0 | 0 | 109.6 | L559 D600 A606 L607 | L559-I604 HydrophobicContact CD1-CG2 3.56Å; D600-I604 HydrophobicContact CB-CD1 4.47Å; D600-I604 WeakPolarHBondContact O-CB 3.37Å; D600-I604 PolarHBondContact O-N 3.31Å; I604-A606 HydrophobicContact CG2-CB 4.38Å; I604-A606 PolarHBondContact O-N 3.27Å; I604-L607 HydrophobicContact CB-CD1 4.15Å; I604-L607 HydrophobicContact CB-CG 4.3Å; I604-L607 HydrophobicContact CD1-CD1 4.17Å; I604-L607 HydrophobicContact CG2-CD1 4.25Å; I604-L607 HydrophobicContact CG2-CG 3.98Å; I604-L607 PolarHBondContact O-N 3.32Å | ||
| 605 | A | 83.1 | Confident | 87.5 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -59.1 | -31.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L607 K608 | A605-L607 PolarHBondContact O-N 3.46Å; A605-K608 WeakPolarHBondContact O-CB 3.16Å; A605-K608 PolarHBondContact O-N 2.89Å; A605-K608 VanDerWaalsContact O-N 3.17Å |
| 606 | A | 81.3 | Confident | 87.3 | Confident | 42 Ų | 42 | 66 Ų | 66 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -66.6 | -16.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L559 I604 | L559-A606 HydrophobicContact CD1-CB 4.23Å; L559-A606 HydrophobicContact CD2-CB 4Å; I604-A606 HydrophobicContact CG2-CB 4.38Å; I604-A606 PolarHBondContact O-N 3.27Å |
| 607 | L | 83.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -86.4 | -13.1 | 176.4 | -63.4 | 179.3 | 0 | 0 | 0 | 113.1 | L559 K562 R563 I566 D600 A601 I604 A605 E609 Q610 L611 | L559-L607 HydrophobicContact CD1-CD2 3.95Å; L559-L607 HydrophobicContact CD1-CG 4.13Å; K562-L607 HydrophobicContact CB-CD2 4.43Å; K562-L607 HydrophobicContact CD-CD1 4.5Å; R563-L607 HydrophobicContact CG-CD2 3.67Å; I566-L607 HydrophobicContact CD1-CD2 3.87Å; D600-L607 HydrophobicContact CB-CD1 3.79Å; A601-L607 HydrophobicContact CB-CB 4.04Å; I604-L607 HydrophobicContact CB-CD1 4.15Å; I604-L607 HydrophobicContact CB-CG 4.3Å; I604-L607 HydrophobicContact CD1-CD1 4.17Å; I604-L607 HydrophobicContact CG2-CD1 4.25Å; I604-L607 HydrophobicContact CG2-CG 3.98Å; I604-L607 PolarHBondContact O-N 3.32Å; A605-L607 PolarHBondContact O-N 3.46Å; L607-E609 PolarHBondContact O-N 3.17Å; L607-Q610 PolarHBondContact O-N 2.67Å; L607-L611 PolarHBondContact O-N 3.07Å |
| 608 | K | 80.8 | Confident | 86.3 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.1 | -177.6 | -70.9 | -175.7 | 176.6 | 178.8 | 0 | 114 | A601 A605 P612 | A601-K608 HydrophobicContact CB-CG 4.33Å; A601-K608 WeakPolarHBondContact O-CE 3.36Å; A605-K608 WeakPolarHBondContact O-CB 3.16Å; A605-K608 PolarHBondContact O-N 2.89Å; A605-K608 VanDerWaalsContact O-N 3.17Å; K608-P612 VanDerWaalsContact O-CD 3.29Å; K608-P612 WeakPolarHBondContact O-CD 3.13Å |
| 609 | E | 80.4 | Confident | 85.9 | Confident | 143 Ų | 143 | 71.7 Ų | 71.7 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -37.8 | -179.7 | -169.1 | -175.6 | 179.5 | 0 | 0 | 112.4 | R563 L607 | R563-E609 IonicContact NH2-OE2 3.29Å; L607-E609 PolarHBondContact O-N 3.17Å |
| 610 | Q | 79.3 | Confident | 85.3 | Confident | 22 Ų | 22 | 73.3 Ų | 73.3 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -18 | -176.1 | -63.6 | 176.9 | -53.4 | 0 | 0 | 113.2 | R563 I566 L607 E613 L614 | R563-Q610 PolarHBondContact O-NE2 2.65Å; I566-Q610 HydrophobicContact CG2-CB 3.77Å; I566-Q610 HydrophobicContact CG2-CG 4.37Å; L607-Q610 PolarHBondContact O-N 2.67Å; Q610-E613 PolarHBondContact O-N 2.97Å; Q610-L614 PolarHBondContact O-N 3.15Å |
| 611 | L | 86.8 | Confident | 84.4 | Confident | 30 Ų | 30 | 72 Ų | 72 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | -176.5 | -175.2 | 66.1 | 0 | 0 | 0 | 114.2 | Y594 V597 S598 A601 L607 E613 L614 E615 | Y594-L611 HydrophobicContact CD2-CD1 4.15Å; Y594-L611 HydrophobicContact CE2-CD1 3.77Å; V597-L611 HydrophobicContact CG1-CD1 4.05Å; S598-L611 WeakPolarHBondContact OG-CD1 3.49Å; A601-L611 HydrophobicContact CB-CD2 4.08Å; L607-L611 PolarHBondContact O-N 3.07Å; L611-E613 VanDerWaalsContact C-N 3.3Å; L611-E613 PolarHBondContact O-N 2.68Å; L611-L614 PolarHBondContact O-N 2.86Å; L611-E615 WeakPolarHBondContact O-CB 3.36Å; L611-E615 PolarHBondContact O-N 3.33Å |
| 612 | P | 88.8 | Confident | 83.3 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 49% | 0.494 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -32.8 | -179.6 | -23.2 | 34.5 | 0 | 0 | 0 | 113.6 | K608 K616 | K608-P612 VanDerWaalsContact O-CD 3.29Å; K608-P612 WeakPolarHBondContact O-CD 3.13Å; P612-K616 WeakPolarHBondContact O-CB 3.45Å; P612-K616 PolarHBondContact O-N 3.12Å |
| 613 | E | 86.1 | Confident | 82.2 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 176.6 | -65.9 | -173.6 | 175.7 | 0 | 0 | 110.9 | L570 Q610 L611 K616 I617 | L570-E613 HydrophobicContact CD1-CB 4.4Å; L570-E613 HydrophobicContact CD2-CB 3.94Å; Q610-E613 PolarHBondContact O-N 2.97Å; L611-E613 VanDerWaalsContact C-N 3.3Å; L611-E613 PolarHBondContact O-N 2.68Å; E613-K616 PolarHBondContact O-N 3.06Å; E613-I617 WeakPolarHBondContact O-CG1 3.45Å; E613-I617 PolarHBondContact O-N 3.14Å |
| 614 | L | 86.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.7 | -171 | 62.4 | 0 | 0 | 0 | 111.3 | V569 L570 L590 F593 Y594 V597 Q610 L611 K616 I617 V618 | V569-L614 HydrophobicContact CG1-CD1 4.37Å; L570-L614 HydrophobicContact CD2-CB 4.14Å; L570-L614 HydrophobicContact CD2-CD1 4.23Å; L590-L614 HydrophobicContact CD2-CD1 4.37Å; F593-L614 HydrophobicContact CD1-CD2 3.99Å; F593-L614 HydrophobicContact CE1-CD2 4.15Å; Y594-L614 HydrophobicContact CD2-CD2 4.11Å; Y594-L614 HydrophobicContact CD2-CG 4.06Å; V597-L614 HydrophobicContact CB-CD2 4.21Å; V597-L614 HydrophobicContact CG1-CD2 4.42Å; V597-L614 HydrophobicContact CG2-CD2 4.17Å; Q610-L614 PolarHBondContact O-N 3.15Å; L611-L614 PolarHBondContact O-N 2.86Å; L614-K616 VanDerWaalsContact C-N 3.32Å; L614-K616 PolarHBondContact O-N 2.78Å; L614-I617 PolarHBondContact O-N 2.85Å; L614-V618 WeakPolarHBondContact O-CG2 3.21Å; L614-V618 PolarHBondContact O-N 2.87Å |
| 615 | E | 87.7 | Confident | 79.4 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 27% | 0.271 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 175.7 | -173.3 | 177 | 175.9 | 0 | 0 | 111.7 | Y594 L611 I617 V618 K619 | Y594-E615 HydrophobicContact CE2-CB 3.73Å; Y594-E615 HydrophobicContact CE2-CG 4.12Å; L611-E615 WeakPolarHBondContact O-CB 3.36Å; L611-E615 PolarHBondContact O-N 3.33Å; E615-I617 VanDerWaalsContact C-N 3.34Å; E615-I617 PolarHBondContact O-N 3.44Å; E615-V618 PolarHBondContact O-N 3.1Å; E615-K619 HydrophobicContact CG-CD 4.06Å; E615-K619 HydrophobicContact CG-CG 4.34Å; E615-K619 VanDerWaalsContact O-CB 3.3Å; E615-K619 WeakPolarHBondContact O-CB 3.36Å; E615-K619 WeakPolarHBondContact O-CG 3.29Å; E615-K619 PolarHBondContact O-N 3.45Å; E615-K619 WeakPolarHBondContact OE1-CE 3.47Å; E615-K619 IonicContact OE1-NZ 2.69Å; E615-K619 PolarHBondContact OE1-NZ 3.29Å |
| 616 | K | 88.5 | Confident | 77.8 | Confident | 147 Ų | 147 | 68.4 Ų | 68.4 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 177.2 | -177.8 | -176.7 | 175.9 | -174.2 | 0 | 111.5 | P612 E613 L614 Q620 | P612-K616 WeakPolarHBondContact O-CB 3.45Å; P612-K616 PolarHBondContact O-N 3.12Å; E613-K616 PolarHBondContact O-N 3.06Å; L614-K616 VanDerWaalsContact C-N 3.32Å; L614-K616 PolarHBondContact O-N 2.78Å; K616-Q620 WeakPolarHBondContact O-CB 3.4Å; K616-Q620 PolarHBondContact O-N 3.4Å |
| 617 | I | 84.9 | Confident | 76 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 18% | 0.179 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -51.8 | 178.9 | -67.6 | 170.1 | 0 | 0 | 0 | 110.2 | L570 A573 E613 L614 E615 K619 Q620 I621 | L570-I617 HydrophobicContact CD2-CD1 3.81Å; A573-I617 HydrophobicContact CB-CD1 4.07Å; A573-I617 HydrophobicContact CB-CG2 3.98Å; E613-I617 WeakPolarHBondContact O-CG1 3.45Å; E613-I617 PolarHBondContact O-N 3.14Å; L614-I617 PolarHBondContact O-N 2.85Å; E615-I617 VanDerWaalsContact C-N 3.34Å; E615-I617 PolarHBondContact O-N 3.44Å; I617-K619 VanDerWaalsContact C-N 3.35Å; I617-K619 PolarHBondContact O-N 3.29Å; I617-Q620 PolarHBondContact O-N 3.3Å; I617-I621 HydrophobicContact CG2-CD1 3.67Å; I617-I621 WeakPolarHBondContact O-CD1 3.38Å; I617-I621 WeakPolarHBondContact O-CG1 3.37Å; I617-I621 PolarHBondContact O-N 3.23Å |
| 618 | V | 84 | Confident | 74 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | -178.7 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | Y594 L614 E615 I621 S622 | Y594-V618 HydrophobicContact CG-CG2 4.32Å; L614-V618 WeakPolarHBondContact O-CG2 3.21Å; L614-V618 PolarHBondContact O-N 2.87Å; E615-V618 PolarHBondContact O-N 3.1Å; V618-I621 PolarHBondContact O-N 3.3Å; V618-S622 WeakPolarHBondContact O-CB 3.32Å; V618-S622 PolarHBondContact O-N 2.98Å |
| 619 | K | 83.4 | Confident | 72.1 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 46% | 0.457 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 175.8 | -77.2 | -175.6 | -178.8 | 173.8 | 0 | 112.3 | E615 I617 I621 S622 E623 | E615-K619 HydrophobicContact CG-CD 4.06Å; E615-K619 HydrophobicContact CG-CG 4.34Å; E615-K619 VanDerWaalsContact O-CB 3.3Å; E615-K619 WeakPolarHBondContact O-CB 3.36Å; E615-K619 WeakPolarHBondContact O-CG 3.29Å; E615-K619 PolarHBondContact O-N 3.45Å; E615-K619 WeakPolarHBondContact OE1-CE 3.47Å; E615-K619 IonicContact OE1-NZ 2.69Å; E615-K619 PolarHBondContact OE1-NZ 3.29Å; I617-K619 VanDerWaalsContact C-N 3.35Å; I617-K619 PolarHBondContact O-N 3.29Å; K619-I621 PolarHBondContact O-N 3.29Å; K619-S622 PolarHBondContact O-N 3.38Å; K619-E623 WeakPolarHBondContact O-CB 3.36Å; K619-E623 WeakPolarHBondContact O-CG 3.11Å; K619-E623 PolarHBondContact O-N 3.17Å |
| 620 | Q | 80.6 | Confident | 70.2 | Confident | 102 Ų | 102 | 75.7 Ų | 75.7 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 179.7 | -177.7 | 174.5 | -11.1 | 0 | 0 | 111.1 | K616 I617 D624 | K616-Q620 WeakPolarHBondContact O-CB 3.4Å; K616-Q620 PolarHBondContact O-N 3.4Å; I617-Q620 PolarHBondContact O-N 3.3Å; Q620-D624 WeakPolarHBondContact O-CB 3.31Å; Q620-D624 PolarHBondContact O-N 3.25Å; Q620-D624 VanDerWaalsContact O-N 3.14Å |
| 621 | I | 72.5 | Confident | 68.2 | Low | 12 Ų | 12 | 81.1 Ų | 81.1 | 6% | 0.062 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -72.9 | -41.9 | -179.9 | -57.1 | 161.2 | 0 | 0 | 0 | 111.6 | L580 Q581 M587 L590 I617 V618 K619 A625 | L580-I621 HydrophobicContact CB-CD1 4.27Å; L580-I621 HydrophobicContact CD1-CD1 3.54Å; Q581-I621 HydrophobicContact CG-CG2 3.64Å; M587-I621 HydrophobicContact CE-CB 4.19Å; M587-I621 HydrophobicContact CE-CG2 3.38Å; M587-I621 HydrophobicContact SD-CB 4.49Å; M587-I621 HydrophobicContact SD-CD1 4.49Å; M587-I621 HydrophobicContact SD-CG2 3.44Å; M587-I621 WeakPolarHBondContact SD-CG2 3.36Å; L590-I621 HydrophobicContact CD1-CD1 4.24Å; I617-I621 HydrophobicContact CG2-CD1 3.67Å; I617-I621 WeakPolarHBondContact O-CD1 3.38Å; I617-I621 WeakPolarHBondContact O-CG1 3.37Å; I617-I621 PolarHBondContact O-N 3.23Å; V618-I621 PolarHBondContact O-N 3.3Å; K619-I621 PolarHBondContact O-N 3.29Å; I621-A625 WeakPolarHBondContact O-CB 3.42Å; I621-A625 PolarHBondContact O-N 3.22Å |
| 622 | S | 69.7 | Low | 66.6 | Low | 40 Ų | 40 | 84.8 Ų | 84.8 | 28% | 0.28 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 177.2 | 162.6 | 0 | 0 | 0 | 0 | 112.8 | V618 K619 A625 K626 | V618-S622 WeakPolarHBondContact O-CB 3.32Å; V618-S622 PolarHBondContact O-N 2.98Å; K619-S622 PolarHBondContact O-N 3.38Å; S622-A625 PolarHBondContact O-N 3.11Å; S622-K626 WeakPolarHBondContact O-CG 3.49Å; S622-K626 PolarHBondContact O-N 3.44Å |
| 623 | E | 66 | Low | 65.1 | Low | 134 Ų | 134 | 85.5 Ų | 85.5 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -68.2 | -41.7 | 177.5 | -74.4 | -178.8 | 176.4 | 0 | 0 | 111.5 | K619 A625 K626 A627 | K619-E623 WeakPolarHBondContact O-CB 3.36Å; K619-E623 WeakPolarHBondContact O-CG 3.11Å; K619-E623 PolarHBondContact O-N 3.17Å; E623-A625 VanDerWaalsContact C-N 3.32Å; E623-A625 PolarHBondContact O-N 3.28Å; E623-K626 PolarHBondContact O-N 3.16Å; E623-K626 VanDerWaalsContact O-N 3.13Å; E623-A627 PolarHBondContact O-N 2.69Å; E623-A627 VanDerWaalsContact O-N 3.1Å |
| 624 | D | 59.1 | Low | 63.7 | Low | 35 Ų | 35 | 83.3 Ų | 83.3 | 19% | 0.187 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 175.4 | -98.5 | 0.9 | 0 | 0 | 0 | 112.6 | Q620 K626 K630 | Q620-D624 WeakPolarHBondContact O-CB 3.31Å; Q620-D624 PolarHBondContact O-N 3.25Å; Q620-D624 VanDerWaalsContact O-N 3.14Å; D624-K626 VanDerWaalsContact C-N 3.29Å; D624-K626 PolarHBondContact O-N 3.36Å; D624-K630 IonicContact OD1-NZ 3.86Å; D624-K630 PolarHBondContact OD1-NZ 3.02Å; D624-K630 IonicContact OD2-NZ 3.16Å; D624-K630 PolarHBondContact OD2-NZ 2.97Å |
| 625 | A | 54.7 | Low | 62.4 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 44% | 0.438 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.7 | -25.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I621 S622 E623 K631 | I621-A625 WeakPolarHBondContact O-CB 3.42Å; I621-A625 PolarHBondContact O-N 3.22Å; S622-A625 PolarHBondContact O-N 3.11Å; E623-A625 VanDerWaalsContact C-N 3.32Å; E623-A625 PolarHBondContact O-N 3.28Å; A625-K631 WeakPolarHBondContact O-CE 3.38Å |
| 626 | K | 49.9 | Very low | 60.9 | Low | 154 Ų | 154 | 85.5 Ų | 85.5 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -91.5 | -18.3 | -179.5 | -73.8 | 178.8 | -175.5 | 174.8 | 0 | 114 | S622 E623 D624 P628 | S622-K626 WeakPolarHBondContact O-CG 3.49Å; S622-K626 PolarHBondContact O-N 3.44Å; E623-K626 PolarHBondContact O-N 3.16Å; E623-K626 VanDerWaalsContact O-N 3.13Å; D624-K626 VanDerWaalsContact C-N 3.29Å; D624-K626 PolarHBondContact O-N 3.36Å; K626-P628 WeakPolarHBondContact O-CD 3.23Å |
| 627 | A | 44.2 | Very low | 59.2 | Low | 29 Ų | 29 | 81.3 Ų | 81.3 | 24% | 0.24 | 41% | 0.409 | C | S | . | . | trans | -64 | 115.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E623 Q629 K630 | E623-A627 PolarHBondContact O-N 2.69Å; E623-A627 VanDerWaalsContact O-N 3.1Å; A627-Q629 PolarHBondContact O-N 2.82Å; A627-Q629 VanDerWaalsContact O-N 3.15Å; A627-K630 HydrophobicContact CB-CB 4.39Å; A627-K630 PolarHBondContact O-N 3.33Å; A627-K630 VanDerWaalsContact O-N 3.15Å | ||
| 628 | P | 39.8 | Very low | 57.2 | Low | 117 Ų | 117 | 81.9 Ų | 81.9 | 76% | 0.76 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.9 | -173.7 | 25.1 | -32.5 | 0 | 0 | 0 | 114.4 | K626 | K626-P628 WeakPolarHBondContact O-CD 3.23Š|
| 629 | Q | 40.9 | Very low | 55 | Low | 195 Ų | 195 | 84.2 Ų | 84.2 | 91% | 0.911 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7 | 176.5 | -70.8 | -177.5 | -18.1 | 0 | 0 | 114.2 | A627 | A627-Q629 PolarHBondContact O-N 2.82Å; A627-Q629 VanDerWaalsContact O-N 3.15Å |
| 630 | K | 40.6 | Very low | 52.9 | Low | 120 Ų | 120 | 81.9 Ų | 81.9 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -111.3 | 0.7 | 177.7 | -74.9 | -174.2 | 179 | 177.6 | 0 | 113.7 | D624 A627 H632 | D624-K630 IonicContact OD1-NZ 3.86Å; D624-K630 PolarHBondContact OD1-NZ 3.02Å; D624-K630 IonicContact OD2-NZ 3.16Å; D624-K630 PolarHBondContact OD2-NZ 2.97Å; A627-K630 HydrophobicContact CB-CB 4.39Å; A627-K630 PolarHBondContact O-N 3.33Å; A627-K630 VanDerWaalsContact O-N 3.15Å; K630-H632 PolarHBondContact O-N 2.93Å; K630-H632 VanDerWaalsContact O-N 3.11Å |
| 631 | K | 38.8 | Very low | 50.8 | Low | 136 Ų | 136 | 84.1 Ų | 84.1 | 59% | 0.591 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -73.7 | 103.2 | 174.5 | -76 | -173.3 | 174.7 | -175 | 0 | 109.8 | A625 | A625-K631 WeakPolarHBondContact O-CE 3.38Š|
| 632 | H | 51.4 | Low | 49 | Very low | 106 Ų | 106 | 85.4 Ų | 85.4 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | trans | 55.7 | 97.5 | 175.2 | -54.8 | -76.6 | 0 | 0 | 0 | 114.8 | K630 V634 S655 E657 | K630-H632 PolarHBondContact O-N 2.93Å; K630-H632 VanDerWaalsContact O-N 3.11Å; H632-V634 PolarHBondContact O-N 2.95Å; H632-S655 PolarHBondContact ND1-O 3.39Å; H632-E657 HydrophobicContact CB-CG 4.28Å | ||
| 633 | K | 58.3 | Low | 47.6 | Very low | 92 Ų | 92 | 89.3 Ų | 89.3 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | trans | -68 | 120.6 | 169.8 | -172.1 | 173.3 | -176.2 | 170.7 | 0 | 108.4 | L635 E657 | K633-L635 HydrophobicContact CD-CD2 3.88Å; K633-L635 HydrophobicContact CG-CD2 4.02Å; K633-L635 PolarHBondContact O-N 3.37Å; K633-E657 PolarHBondContact O-N 3.43Å; K633-E657 VanDerWaalsContact O-N 3.1Å | ||
| 634 | V | 57 | Low | 46.7 | Very low | 57 Ų | 57 | 88 Ų | 88 | 35% | 0.345 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 106 | 171.3 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | H632 E657 L659 | H632-V634 PolarHBondContact O-N 2.95Å; V634-E657 CarbonylContact C-O 3.55Å; V634-E657 VanDerWaalsContact CA-O 3.29Å; V634-E657 WeakPolarHBondContact CA-O 3.49Å; V634-L659 HydrophobicContact CG1-CD1 3.6Å; V634-L659 HydrophobicContact CG1-CG 3.63Å |
| 635 | L | 59.3 | Low | 46.4 | Very low | 30 Ų | 30 | 91 Ų | 91 | 16% | 0.157 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 118.1 | 177.1 | -62.6 | 173.8 | 0 | 0 | 0 | 109.9 | K633 Q637 I652 D656 E657 V658 L659 V676 | K633-L635 HydrophobicContact CD-CD2 3.88Å; K633-L635 HydrophobicContact CG-CD2 4.02Å; K633-L635 PolarHBondContact O-N 3.37Å; L635-Q637 PolarHBondContact O-N 2.92Å; L635-I652 HydrophobicContact CD1-CB 4.38Å; L635-I652 HydrophobicContact CD1-CD1 4.14Å; L635-I652 HydrophobicContact CD1-CG1 3.94Å; L635-I652 HydrophobicContact CD1-CG2 3.63Å; L635-D656 HydrophobicContact CD1-CB 4.24Å; L635-E657 PolarHBondContact N-O 3.33Å; L635-V658 HydrophobicContact CB-CB 4.49Å; L635-V658 HydrophobicContact CB-CG2 4.31Å; L635-V658 WeakPolarHBondContact O-CA 3.48Å; L635-V658 WeakPolarHBondContact O-CG2 3.49Å; L635-L659 PolarHBondContact O-N 3.35Å; L635-V676 HydrophobicContact CD1-CG2 3.82Å |
| 636 | L | 55.8 | Low | 46.6 | Very low | 73 Ų | 73 | 89.1 Ų | 89.1 | 38% | 0.382 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 79.8 | 173.3 | -73.9 | 158.4 | 0 | 0 | 0 | 109.2 | Q638 F639 L659 | L636-Q638 PolarHBondContact O-N 3.21Å; L636-F639 HydrophobicContact CB-CB 4.33Å; L636-F639 HydrophobicContact CD2-CB 3.84Å; L636-F639 HydrophobicContact CD2-CD2 3.86Å; L636-F639 HydrophobicContact CD2-CG 4.16Å; L636-L659 HydrophobicContact CD2-CB 4.15Å; L636-L659 HydrophobicContact CD2-CD1 3.64Å |
| 637 | Q | 51.3 | Low | 47.4 | Very low | 60 Ų | 60 | 87.8 Ų | 87.8 | 28% | 0.28 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -71.9 | -14.7 | -170.2 | -148.3 | 175 | 9.9 | 0 | 0 | 113.9 | L635 V658 F660 | L635-Q637 PolarHBondContact O-N 2.92Å; Q637-V658 HydrophobicContact CB-CG2 4.06Å; Q637-F660 HydrophobicContact CB-CD2 4.39Å |
| 638 | Q | 43.3 | Very low | 49 | Very low | 47 Ų | 47 | 94 Ų | 94 | 22% | 0.22 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -136.4 | 2.9 | -178.2 | -73.1 | -175.3 | -11.8 | 0 | 0 | 115.7 | L636 | L636-Q638 PolarHBondContact O-N 3.21Š|
| 639 | F | 38 | Very low | 51.1 | Low | 72 Ų | 72 | 93 Ų | 93 | 32% | 0.316 | 45% | 0.453 | S | S | . | . | trans | -101.8 | -6 | -169.9 | -78.1 | -77.1 | 0 | 0 | 0 | 116.8 | L636 K661 Y669 T671 | L636-F639 HydrophobicContact CB-CB 4.33Å; L636-F639 HydrophobicContact CD2-CB 3.84Å; L636-F639 HydrophobicContact CD2-CD2 3.86Å; L636-F639 HydrophobicContact CD2-CG 4.16Å; F639-K661 HydrophobicContact CE2-CG 4.05Å; F639-K661 HydrophobicContact CZ-CD 4.12Å; F639-K661 HydrophobicContact CZ-CG 3.87Å; F639-Y669 HydrophobicContact CZ-CE2 4.49Å; F639-T671 HydrophobicContact CE2-CG2 3.94Å; F639-T671 HydrophobicContact CZ-CG2 4.17Å | ||
| 640 | N | 40.4 | Very low | 53.3 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | trans | -114.9 | 110.1 | -174.8 | -90.1 | -14.2 | 0 | 0 | 0 | 114.3 | G642 E644 R645 | N640-G642 VanDerWaalsContact C-N 3.33Å; N640-E644 PolarHBondContact ND2-OE2 2.68Å; N640-R645 PolarHBondContact O-NE 3.26Å | ||
| 641 | T | 34.8 | Very low | 55.6 | Low | 150 Ų | 150 | 87.2 Ų | 87.2 | 92% | 0.92 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -88.8 | 18.7 | 161.3 | 35.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 642 | G | 36.4 | Very low | 58.1 | Low | 39 Ų | 39 | 81.9 Ų | 81.9 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -151 | 153.1 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | N640 E644 | N640-G642 VanDerWaalsContact C-N 3.33Å; G642-E644 VanDerWaalsContact C-N 3.28Å; G642-E644 PolarHBondContact O-N 3.47Å |
| 643 | D | 40.1 | Very low | 59.9 | Low | 122 Ų | 122 | 79 Ų | 79 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | 24.1 | -31.2 | 173.3 | -88 | -29.3 | 0 | 0 | 0 | 122.8 | R645 A646 | D643-R645 PolarHBondContact O-N 3.4Å; D643-A646 WeakPolarHBondContact O-CB 3.48Å; D643-A646 PolarHBondContact O-N 3.02Å |
| 644 | E | 47 | Very low | 61.3 | Low | 107 Ų | 107 | 74.8 Ų | 74.8 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -72.2 | -29 | -178.3 | -72.3 | -168.3 | 156.7 | 0 | 0 | 113.7 | N640 G642 A646 Q647 | N640-E644 PolarHBondContact ND2-OE2 2.68Å; G642-E644 VanDerWaalsContact C-N 3.28Å; G642-E644 PolarHBondContact O-N 3.47Å; E644-A646 PolarHBondContact O-N 3.36Å; E644-Q647 WeakPolarHBondContact O-CB 3.37Å; E644-Q647 PolarHBondContact O-N 3.32Å |
| 645 | R | 52.9 | Low | 62.8 | Low | 97 Ų | 97 | 74.2 Ų | 74.2 | 37% | 0.366 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -63.9 | -19.4 | 173.1 | -70.1 | -174.3 | -177.1 | -166.2 | 0.9 | 112.5 | N640 D643 Q647 R976 Q977 | N640-R645 PolarHBondContact O-NE 3.26Å; D643-R645 PolarHBondContact O-N 3.4Å; R645-Q647 VanDerWaalsContact C-N 3.34Å; R645-R976 WeakPolarHBondContact O-CD 3.46Å; R645-Q977 HydrophobicContact CB-CG 3.88Å |
| 646 | A | 57.7 | Low | 64.1 | Low | 14 Ų | 14 | 73.4 Ų | 73.4 | 12% | 0.116 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -78.6 | -17.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D643 E644 R972 | D643-A646 WeakPolarHBondContact O-CB 3.48Å; D643-A646 PolarHBondContact O-N 3.02Å; E644-A646 PolarHBondContact O-N 3.36Å; A646-R972 PolarHBondContact O-NE 3.18Å; A646-R972 PolarHBondContact O-NH2 2.87Å |
| 647 | Q | 67.6 | Low | 65.6 | Low | 126 Ų | 126 | 71.7 Ų | 71.7 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -68.6 | 158.1 | -179.1 | -70 | -174.8 | 0 | 0 | 0 | 113.1 | E644 R645 R976 | E644-Q647 WeakPolarHBondContact O-CB 3.37Å; E644-Q647 PolarHBondContact O-N 3.32Å; R645-Q647 VanDerWaalsContact C-N 3.34Å; Q647-R976 PolarHBondContact O-NH1 3.22Å |
| 648 | K | 77.7 | Confident | 67.3 | Low | 160 Ų | 160 | 68.9 Ų | 68.9 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 131.5 | 176.1 | -174 | 177.2 | -179.7 | -179.6 | 0 | 109.8 | E774 | K648-E774 WeakPolarHBondContact CA-OE2 3.39Å; K648-E774 HydrophobicContact CG-CG 4.17Å |
| 649 | R | 84.2 | Confident | 69.4 | Low | 96 Ų | 96 | 68.9 Ų | 68.9 | 36% | 0.362 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67 | 147.5 | 177.7 | -62.4 | -66 | -160.1 | 170.2 | 1 | 111.6 | Y771 E774 L775 | R649-Y771 HydrophobicContact CG-CE2 3.94Å; R649-Y771 PolarHBondContact NE-OH 3.31Å; R649-Y771 PolarHBondContact NH2-OH 3.35Å; R649-E774 HydrophobicContact CB-CB 4.06Å; R649-E774 HydrophobicContact CG-CB 4.32Å; R649-E774 PolarHBondContact N-OE2 2.99Å; R649-L775 HydrophobicContact CG-CD2 4.02Å |
| 650 | Q | 86.3 | Confident | 71.9 | Confident | 123 Ų | 123 | 65.6 Ų | 65.6 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | trans | -125 | 151.9 | 171.1 | -71.3 | 179.5 | -23.6 | 0 | 0 | 108.6 | I652 | Q650-I652 PolarHBondContact O-N 3.45Š| ||
| 651 | P | 89.9 | Confident | 74.4 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 134.1 | 177.4 | -21.9 | 31.9 | 0 | 0 | 0 | 111.7 | C778 | P651-C778 HydrophobicContact CB-CB 4.47Å; P651-C778 HydrophobicContact CG-CB 4.45Å |
| 652 | I | 89.8 | Confident | 77.3 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 130.6 | 171.4 | -64 | 168.8 | 0 | 0 | 0 | 108.3 | L635 Q650 V676 A799 N800 L803 | L635-I652 HydrophobicContact CD1-CB 4.38Å; L635-I652 HydrophobicContact CD1-CD1 4.14Å; L635-I652 HydrophobicContact CD1-CG1 3.94Å; L635-I652 HydrophobicContact CD1-CG2 3.63Å; Q650-I652 PolarHBondContact O-N 3.45Å; I652-V676 HydrophobicContact CG2-CB 4.48Å; I652-V676 HydrophobicContact CG2-CG1 4.09Å; I652-V676 HydrophobicContact CG2-CG2 3.98Å; I652-A799 HydrophobicContact CB-CB 4.22Å; I652-A799 HydrophobicContact CG2-CB 3.86Å; I652-N800 WeakPolarHBondContact CB-OD1 3.4Å; I652-N800 PolarHBondContact N-OD1 3.27Å; I652-N800 PolarHBondContact O-ND2 2.99Å; I652-L803 HydrophobicContact CD1-CD1 3.54Å |
| 653 | R | 89.4 | Confident | 80.2 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 155.8 | 177 | -60.6 | -179.6 | -179 | -176.7 | -2.1 | 110.7 | D578 S655 D656 | D578-R653 IonicContact OD1-NH2 3.29Å; D578-R653 IonicContact OD2-CZ 2.92Å; D578-R653 IonicContact OD2-NH2 3.96Å; D578-R653 PolarHBondContact OD2-NH2 2.98Å; R653-S655 PolarHBondContact O-N 3.22Å; R653-D656 PolarHBondContact N-OD2 3.45Å; R653-D656 WeakPolarHBondContact O-CB 3.09Å; R653-D656 PolarHBondContact O-N 2.94Å |
| 654 | G | 88.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E582 V676 A677 | E582-G654 PolarHBondContact OE1-N 2.98Å; G654-V676 PolarHBondContact O-N 3.29Å; G654-A677 WeakPolarHBondContact O-CB 3.37Å; G654-A677 PolarHBondContact O-N 3.4Å |
| 655 | S | 88.1 | Confident | 84.9 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.2 | 176.7 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | H632 R653 | H632-S655 PolarHBondContact ND1-O 3.39Å; R653-S655 PolarHBondContact O-N 3.22Å |
| 656 | D | 87.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -63.7 | 146.6 | 172.8 | -69.5 | -24.1 | 0 | 0 | 0 | 109.2 | L635 R653 P675 V676 | L635-D656 HydrophobicContact CD1-CB 4.24Å; R653-D656 PolarHBondContact N-OD2 3.45Å; R653-D656 WeakPolarHBondContact O-CB 3.09Å; R653-D656 PolarHBondContact O-N 2.94Å; D656-P675 CarbonylContact O-C 3.52Å; D656-P675 VanDerWaalsContact O-CA 3.24Å; D656-P675 WeakPolarHBondContact O-CA 3.34Å; D656-V676 HydrophobicContact CB-CG2 4.15Å; D656-V676 WeakPolarHBondContact O-CG2 2.79Å; D656-V676 PolarHBondContact O-N 2.82Å |
| 657 | E | 87.3 | Confident | 88.7 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 144.2 | 179 | -69.6 | -174.3 | 127.6 | 0 | 0 | 110.3 | H632 K633 V634 L635 R673 V674 | H632-E657 HydrophobicContact CB-CG 4.28Å; K633-E657 PolarHBondContact O-N 3.43Å; K633-E657 VanDerWaalsContact O-N 3.1Å; V634-E657 CarbonylContact C-O 3.55Å; V634-E657 VanDerWaalsContact CA-O 3.29Å; V634-E657 WeakPolarHBondContact CA-O 3.49Å; L635-E657 PolarHBondContact N-O 3.33Å; E657-R673 IonicContact OE1-CZ 3.63Å; E657-R673 IonicContact OE1-NE 3.41Å; E657-R673 PolarHBondContact OE1-NE 2.97Å; E657-R673 IonicContact OE1-NH2 2.66Å; E657-R673 IonicContact OE2-CZ 3.1Å; E657-R673 IonicContact OE2-NE 2.76Å; E657-R673 PolarHBondContact OE2-NE 3.2Å; E657-R673 IonicContact OE2-NH2 2.77Å; E657-R673 PolarHBondContact OE2-NH2 3.24Å; E657-V674 CarbonylContact C-O 3.48Å; E657-V674 WeakPolarHBondContact CA-O 3.46Å |
| 658 | V | 86.5 | Confident | 90 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.7 | 175.9 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | L635 Q637 F660 R673 V674 V676 F719 | L635-V658 HydrophobicContact CB-CB 4.49Å; L635-V658 HydrophobicContact CB-CG2 4.31Å; L635-V658 WeakPolarHBondContact O-CA 3.48Å; L635-V658 WeakPolarHBondContact O-CG2 3.49Å; Q637-V658 HydrophobicContact CB-CG2 4.06Å; V658-F660 HydrophobicContact CG1-CB 4.2Å; V658-F660 HydrophobicContact CG2-CB 4.21Å; V658-F660 HydrophobicContact CG2-CD2 4.18Å; V658-R673 WeakPolarHBondContact O-CA 3.25Å; V658-V674 HydrophobicContact CG1-CG2 4.1Å; V658-V674 WeakPolarHBondContact CG1-O 3.1Å; V658-V674 PolarHBondContact N-O 2.79Å; V658-V674 PolarHBondContact O-N 3.07Å; V658-V676 HydrophobicContact CB-CG2 4.45Å; V658-F719 HydrophobicContact CG1-CD2 3.94Å; V658-F719 HydrophobicContact CG1-CE2 3.83Å; V658-F719 HydrophobicContact CG1-CG 4.37Å; V658-F719 HydrophobicContact CG1-CZ 4.18Å |
| 659 | L | 87.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 102.8 | 163.3 | -71.9 | 173.2 | 0 | 0 | 0 | 108.2 | V634 L635 L636 T671 I672 R673 | V634-L659 HydrophobicContact CG1-CD1 3.6Å; V634-L659 HydrophobicContact CG1-CG 3.63Å; L635-L659 PolarHBondContact O-N 3.35Å; L636-L659 HydrophobicContact CD2-CB 4.15Å; L636-L659 HydrophobicContact CD2-CD1 3.64Å; L659-T671 HydrophobicContact CB-CG2 4.16Å; L659-T671 HydrophobicContact CD2-CG2 4.16Å; L659-I672 WeakPolarHBondContact CA-O 3.29Å; L659-R673 HydrophobicContact CD2-CB 3.81Å; L659-R673 HydrophobicContact CD2-CG 4.14Å |
| 660 | F | 89.8 | Confident | 91.2 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.1 | -171.3 | -157.8 | -87.9 | 0 | 0 | 0 | 111.6 | Q637 V658 V662 T671 I672 F719 L722 L728 | Q637-F660 HydrophobicContact CB-CD2 4.39Å; V658-F660 HydrophobicContact CG1-CB 4.2Å; V658-F660 HydrophobicContact CG2-CB 4.21Å; V658-F660 HydrophobicContact CG2-CD2 4.18Å; F660-V662 HydrophobicContact CD1-CG2 4.33Å; F660-T671 CarbonylContact O-C 3.58Å; F660-T671 WeakPolarHBondContact O-CA 3.11Å; F660-I672 HydrophobicContact CB-CG1 4.26Å; F660-I672 PolarHBondContact N-O 2.71Å; F660-I672 PolarHBondContact O-N 2.86Å; F660-F719 HydrophobicContact CB-CD1 4.19Å; F660-F719 HydrophobicContact CB-CE1 4.24Å; F660-F719 AromaticContact CD1-CD1 3.79Å; F660-F719 HydrophobicContact CD1-CD1 3.79Å; F660-F719 HydrophobicContact CD1-CE1 4.15Å; F660-F719 HydrophobicContact CD2-CB 3.97Å; F660-F719 AromaticContact CD2-CD1 3.65Å; F660-F719 HydrophobicContact CD2-CD1 3.65Å; F660-F719 HydrophobicContact CD2-CE1 4.5Å; F660-F719 HydrophobicContact CD2-CG 4.05Å; F660-F719 HydrophobicContact CE1-CD1 4.09Å; F660-F719 HydrophobicContact CE2-CB 3.8Å; F660-F719 AromaticContact CE2-CD1 3.94Å; F660-F719 HydrophobicContact CE2-CD1 3.94Å; F660-F719 HydrophobicContact CE2-CG 4.27Å; F660-F719 AromaticContact CG-CD1 3.58Å; F660-F719 HydrophobicContact CG-CD1 3.58Å; F660-F719 HydrophobicContact CG-CE1 4.03Å; F660-F719 HydrophobicContact CG-CG 4.39Å; F660-F719 HydrophobicContact CZ-CB 4.44Å; F660-F719 HydrophobicContact CZ-CD1 4.15Å; F660-L722 HydrophobicContact CZ-CD1 3.73Å; F660-L728 HydrophobicContact CE1-CB 3.77Å; F660-L728 HydrophobicContact CE1-CD2 4.15Å |
| 661 | K | 93.8 | Very high | 91.6 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.9 | 176.3 | -58.8 | -179 | 179.2 | -179.1 | 0 | 109.9 | F639 Y663 Y669 | F639-K661 HydrophobicContact CE2-CG 4.05Å; F639-K661 HydrophobicContact CZ-CD 4.12Å; F639-K661 HydrophobicContact CZ-CG 3.87Å; K661-Y663 HydrophobicContact CB-CD2 4.41Å; K661-Y663 HydrophobicContact CB-CE2 3.75Å; K661-Y663 HydrophobicContact CD-CE2 4.49Å; K661-Y669 HydrophobicContact CB-CD2 3.83Å; K661-Y669 HydrophobicContact CB-CE2 4.45Å; K661-Y669 HydrophobicContact CB-CG 4.13Å; K661-Y669 HydrophobicContact CD-CD1 4.27Å; K661-Y669 HydrophobicContact CD-CD2 3.79Å; K661-Y669 HydrophobicContact CD-CE1 4.13Å; K661-Y669 HydrophobicContact CD-CE2 3.65Å; K661-Y669 HydrophobicContact CD-CG 4.11Å; K661-Y669 HydrophobicContact CG-CD2 3.62Å; K661-Y669 HydrophobicContact CG-CE2 3.74Å; K661-Y669 HydrophobicContact CG-CG 4.25Å |
| 662 | V | 96 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.5 | 170.1 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | F660 Y669 T670 I672 V683 V687 I699 L728 A730 | F660-V662 HydrophobicContact CD1-CG2 4.33Å; V662-Y669 CarbonylContact O-C 3.51Å; V662-Y669 VanDerWaalsContact O-CA 3.25Å; V662-Y669 WeakPolarHBondContact O-CA 3.12Å; V662-Y669 WeakPolarHBondContact O-CB 3.5Å; V662-T670 PolarHBondContact N-O 3.17Å; V662-T670 PolarHBondContact O-N 3.22Å; V662-I672 HydrophobicContact CG2-CD1 3.87Å; V662-I672 HydrophobicContact CG2-CG1 4.18Å; V662-V683 HydrophobicContact CG2-CG1 4.47Å; V662-V687 HydrophobicContact CB-CG2 3.95Å; V662-V687 HydrophobicContact CG1-CG2 4.03Å; V662-V687 HydrophobicContact CG2-CG2 3.95Å; V662-I699 HydrophobicContact CG1-CD1 4.34Å; V662-L728 HydrophobicContact CG2-CD2 4.29Å; V662-A730 HydrophobicContact CG1-CB 3.7Å |
| 663 | Y | 96.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 148.1 | -171.4 | -68.4 | -98.5 | 0 | 0 | 0 | 111.8 | K661 T668 Y669 R727 L728 F729 A730 L742 | K661-Y663 HydrophobicContact CB-CD2 4.41Å; K661-Y663 HydrophobicContact CB-CE2 3.75Å; K661-Y663 HydrophobicContact CD-CE2 4.49Å; Y663-T668 CarbonylContact C-O 3.57Å; Y663-T668 VanDerWaalsContact CA-O 3.29Å; Y663-T668 WeakPolarHBondContact CA-O 3.4Å; Y663-Y669 HydrophobicContact CD1-CD1 4.29Å; Y663-Y669 HydrophobicContact CD1-CG 4.42Å; Y663-Y669 AromaticContact CE1-CD1 3.8Å; Y663-Y669 HydrophobicContact CE1-CD1 3.8Å; Y663-Y669 HydrophobicContact CE1-CG 4.18Å; Y663-R727 HydrophobicContact CD2-CB 4.48Å; Y663-R727 HydrophobicContact CE2-CG 4.49Å; Y663-L728 PolarHBondContact N-O 2.77Å; Y663-F729 HydrophobicContact CG-CE1 4.47Å; Y663-F729 HydrophobicContact CG-CZ 4.46Å; Y663-F729 CarbonylContact O-C 3.56Å; Y663-F729 WeakPolarHBondContact O-CA 3.29Å; Y663-A730 PolarHBondContact O-N 3Å; Y663-L742 HydrophobicContact CD1-CD1 3.52Å; Y663-L742 HydrophobicContact CD1-CD2 4.02Å; Y663-L742 HydrophobicContact CD1-CG 4.4Å; Y663-L742 HydrophobicContact CD2-CD1 4.15Å; Y663-L742 HydrophobicContact CE1-CD1 3.28Å; Y663-L742 HydrophobicContact CE1-CD2 4.36Å; Y663-L742 HydrophobicContact CE1-CG 4.46Å; Y663-L742 HydrophobicContact CE2-CD1 3.97Å; Y663-L742 HydrophobicContact CG-CD1 3.95Å |
| 664 | C | 94.4 | Very high | 92 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 14% | 0.142 | 20% | 0.201 | C | C | . | . | trans | -96 | 173.7 | 170.7 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | D666 H667 T668 | C664-D666 WeakPolarHBondContact CB-OD1 3.13Å; C664-D666 PolarHBondContact O-N 3.37Å; C664-H667 PolarHBondContact O-N 2.8Å; C664-H667 VanDerWaalsContact O-N 3.1Å; C664-T668 PolarHBondContact N-O 2.93Å | ||
| 665 | M | 92.6 | Very high | 92.2 | Very high | 81 Ų | 81 | 42.6 Ų | 42.6 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.5 | -179.2 | 67 | 171.3 | -66.5 | 0 | 0 | 113.9 | H667 Q735 L739 | M665-H667 PolarHBondContact O-CD2 2.85Å; M665-H667 PolarHBondContact O-N 3.04Å; M665-Q735 HydrophobicContact SD-CG 4.31Å; M665-Q735 PolarHBondContact SD-OE1 2.91Å; M665-L739 HydrophobicContact CB-CD2 4Å |
| 666 | D | 93.2 | Very high | 92.4 | Very high | 102 Ų | 102 | 40.7 Ų | 40.7 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 10.6 | 179.8 | 66.9 | -8.1 | 0 | 0 | 0 | 112.7 | C664 T668 | C664-D666 WeakPolarHBondContact CB-OD1 3.13Å; C664-D666 PolarHBondContact O-N 3.37Å; D666-T668 PolarHBondContact O-N 2.95Å; D666-T668 VanDerWaalsContact O-N 3.17Å; D666-T668 WeakPolarHBondContact OD1-CB 3.11Å; D666-T668 WeakPolarHBondContact OD1-CG2 3.36Å; D666-T668 PolarHBondContact OD1-N 3.33Å; D666-T668 PolarHBondContact OD1-OG1 2.91Å; D666-T668 WeakPolarHBondContact OD2-CG2 3.05Å; D666-T668 PolarHBondContact OD2-OG1 3.38Å |
| 667 | H | 95.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 66.1 | 7.5 | -179 | -57.6 | -178.2 | 0 | 0 | 0 | 114.6 | C664 M665 T740 L742 | C664-H667 PolarHBondContact O-N 2.8Å; C664-H667 VanDerWaalsContact O-N 3.1Å; M665-H667 PolarHBondContact O-CD2 2.85Å; M665-H667 PolarHBondContact O-N 3.04Å; H667-T740 PolarHBondContact NE2-O 3.26Å; H667-T740 PolarHBondContact NE2-OG1 3.4Å; H667-L742 HydrophobicContact CB-CD2 3.6Å |
| 668 | T | 95.1 | Very high | 92.9 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 45% | 0.448 | 20% | 0.202 | S | C | . | . | trans | -68.6 | 164.6 | 161.9 | 69 | 0 | 0 | 0 | 0 | 109.9 | Y663 C664 D666 | Y663-T668 CarbonylContact C-O 3.57Å; Y663-T668 VanDerWaalsContact CA-O 3.29Å; Y663-T668 WeakPolarHBondContact CA-O 3.4Å; C664-T668 PolarHBondContact N-O 2.93Å; D666-T668 PolarHBondContact O-N 2.95Å; D666-T668 VanDerWaalsContact O-N 3.17Å; D666-T668 WeakPolarHBondContact OD1-CB 3.11Å; D666-T668 WeakPolarHBondContact OD1-CG2 3.36Å; D666-T668 PolarHBondContact OD1-N 3.33Å; D666-T668 PolarHBondContact OD1-OG1 2.91Å; D666-T668 WeakPolarHBondContact OD2-CG2 3.05Å; D666-T668 PolarHBondContact OD2-OG1 3.38Å | ||
| 669 | Y | 94.9 | Very high | 93.4 | Very high | 103 Ų | 103 | 40.4 Ų | 40.4 | 40% | 0.404 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153.3 | 178.4 | 66.1 | -94.1 | 0 | 0 | 0 | 112.9 | F639 K661 V662 Y663 | F639-Y669 HydrophobicContact CZ-CE2 4.49Å; K661-Y669 HydrophobicContact CB-CD2 3.83Å; K661-Y669 HydrophobicContact CB-CE2 4.45Å; K661-Y669 HydrophobicContact CB-CG 4.13Å; K661-Y669 HydrophobicContact CD-CD1 4.27Å; K661-Y669 HydrophobicContact CD-CD2 3.79Å; K661-Y669 HydrophobicContact CD-CE1 4.13Å; K661-Y669 HydrophobicContact CD-CE2 3.65Å; K661-Y669 HydrophobicContact CD-CG 4.11Å; K661-Y669 HydrophobicContact CG-CD2 3.62Å; K661-Y669 HydrophobicContact CG-CE2 3.74Å; K661-Y669 HydrophobicContact CG-CG 4.25Å; V662-Y669 CarbonylContact O-C 3.51Å; V662-Y669 VanDerWaalsContact O-CA 3.25Å; V662-Y669 WeakPolarHBondContact O-CA 3.12Å; V662-Y669 WeakPolarHBondContact O-CB 3.5Å; Y663-Y669 HydrophobicContact CD1-CD1 4.29Å; Y663-Y669 HydrophobicContact CD1-CG 4.42Å; Y663-Y669 AromaticContact CE1-CD1 3.8Å; Y663-Y669 HydrophobicContact CE1-CD1 3.8Å; Y663-Y669 HydrophobicContact CE1-CG 4.18Å |
| 670 | T | 93.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.9 | 167.8 | -53 | 0 | 0 | 0 | 0 | 109.1 | V662 I672 K690 L691 | V662-T670 PolarHBondContact N-O 3.17Å; V662-T670 PolarHBondContact O-N 3.22Å; T670-I672 HydrophobicContact CG2-CG2 4.43Å; T670-K690 HydrophobicContact CG2-CB 3.53Å; T670-K690 HydrophobicContact CG2-CD 3.44Å; T670-K690 VanDerWaalsContact CG2-CD 3.44Å; T670-K690 HydrophobicContact CG2-CG 4.1Å; T670-L691 WeakPolarHBondContact OG1-CD2 3.4Å |
| 671 | T | 94.4 | Very high | 94.1 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 116.3 | 170.3 | -53 | 0 | 0 | 0 | 0 | 109 | F639 L659 F660 K690 | F639-T671 HydrophobicContact CE2-CG2 3.94Å; F639-T671 HydrophobicContact CZ-CG2 4.17Å; L659-T671 HydrophobicContact CB-CG2 4.16Å; L659-T671 HydrophobicContact CD2-CG2 4.16Å; F660-T671 CarbonylContact O-C 3.58Å; F660-T671 WeakPolarHBondContact O-CA 3.11Å; T671-K690 PolarHBondContact O-NZ 2.94Å |
| 672 | I | 92.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 151.3 | 173.2 | 60.7 | 173.5 | 0 | 0 | 0 | 110.6 | L659 F660 V662 T670 V674 V683 A686 V687 | L659-I672 WeakPolarHBondContact CA-O 3.29Å; F660-I672 HydrophobicContact CB-CG1 4.26Å; F660-I672 PolarHBondContact N-O 2.71Å; F660-I672 PolarHBondContact O-N 2.86Å; V662-I672 HydrophobicContact CG2-CD1 3.87Å; V662-I672 HydrophobicContact CG2-CG1 4.18Å; T670-I672 HydrophobicContact CG2-CG2 4.43Å; I672-V674 HydrophobicContact CB-CG1 4.49Å; I672-V674 HydrophobicContact CD1-CG1 4.31Å; I672-V674 HydrophobicContact CD1-CG2 3.92Å; I672-V674 HydrophobicContact CG1-CG2 4.28Å; I672-V683 HydrophobicContact CD1-CB 4.47Å; I672-V683 HydrophobicContact CD1-CG1 3.84Å; I672-V683 HydrophobicContact CD1-CG2 4.36Å; I672-A686 HydrophobicContact CB-CB 4.33Å; I672-A686 HydrophobicContact CG2-CB 4.07Å; I672-V687 HydrophobicContact CG2-CG2 3.8Å |
| 673 | R | 92.8 | Very high | 94.1 | Very high | 148 Ų | 148 | 48.7 Ų | 48.7 | 56% | 0.558 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 107 | 171.8 | -178.3 | -178.1 | 174.9 | -178.8 | -0.7 | 107.4 | E657 V658 L659 | E657-R673 IonicContact OE1-CZ 3.63Å; E657-R673 IonicContact OE1-NE 3.41Å; E657-R673 PolarHBondContact OE1-NE 2.97Å; E657-R673 IonicContact OE1-NH2 2.66Å; E657-R673 IonicContact OE2-CZ 3.1Å; E657-R673 IonicContact OE2-NE 2.76Å; E657-R673 PolarHBondContact OE2-NE 3.2Å; E657-R673 IonicContact OE2-NH2 2.77Å; E657-R673 PolarHBondContact OE2-NH2 3.24Å; V658-R673 WeakPolarHBondContact O-CA 3.25Å; L659-R673 HydrophobicContact CD2-CB 3.81Å; L659-R673 HydrophobicContact CD2-CG 4.14Å |
| 674 | V | 91.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.2 | -175.9 | -66 | 0 | 0 | 0 | 0 | 110.2 | E657 V658 I672 T678 A686 F719 | E657-V674 CarbonylContact C-O 3.48Å; E657-V674 WeakPolarHBondContact CA-O 3.46Å; V658-V674 HydrophobicContact CG1-CG2 4.1Å; V658-V674 WeakPolarHBondContact CG1-O 3.1Å; V658-V674 PolarHBondContact N-O 2.79Å; V658-V674 PolarHBondContact O-N 3.07Å; I672-V674 HydrophobicContact CB-CG1 4.49Å; I672-V674 HydrophobicContact CD1-CG1 4.31Å; I672-V674 HydrophobicContact CD1-CG2 3.92Å; I672-V674 HydrophobicContact CG1-CG2 4.28Å; V674-T678 HydrophobicContact CB-CG2 3.99Å; V674-T678 HydrophobicContact CG1-CG2 4.37Å; V674-T678 HydrophobicContact CG2-CG2 4.15Å; V674-A686 HydrophobicContact CG1-CB 3.89Å; V674-F719 HydrophobicContact CG2-CE1 4.48Å; V674-F719 HydrophobicContact CG2-CE2 4.13Å; V674-F719 HydrophobicContact CG2-CZ 3.6Å |
| 675 | P | 93.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 153.4 | 169.8 | -26.5 | 33.4 | 0 | 0 | 0 | 113.6 | D656 A677 T678 | D656-P675 CarbonylContact O-C 3.52Å; D656-P675 VanDerWaalsContact O-CA 3.24Å; D656-P675 WeakPolarHBondContact O-CA 3.34Å; P675-A677 VanDerWaalsContact C-N 3.31Å; P675-A677 PolarHBondContact O-N 2.82Å; P675-T678 WeakPolarHBondContact CB-OG1 3.22Å; P675-T678 VanDerWaalsContact CD-OG1 3.23Å; P675-T678 WeakPolarHBondContact CD-OG1 3.45Å; P675-T678 WeakPolarHBondContact O-CB 3.5Å; P675-T678 PolarHBondContact O-N 2.77Å; P675-T678 PolarHBondContact O-OG1 3.33Å |
| 676 | V | 91.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -39.9 | 176 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L635 I652 G654 D656 V658 T678 S717 A799 | L635-V676 HydrophobicContact CD1-CG2 3.82Å; I652-V676 HydrophobicContact CG2-CB 4.48Å; I652-V676 HydrophobicContact CG2-CG1 4.09Å; I652-V676 HydrophobicContact CG2-CG2 3.98Å; G654-V676 PolarHBondContact O-N 3.29Å; D656-V676 HydrophobicContact CB-CG2 4.15Å; D656-V676 WeakPolarHBondContact O-CG2 2.79Å; D656-V676 PolarHBondContact O-N 2.82Å; V658-V676 HydrophobicContact CB-CG2 4.45Å; V676-T678 PolarHBondContact O-N 3.2Å; V676-S717 VanDerWaalsContact O-CA 3.26Å; V676-S717 WeakPolarHBondContact O-CA 3.37Å; V676-S717 PolarHBondContact O-OG 3.38Å; V676-A799 HydrophobicContact CG1-CB 4.06Å |
| 677 | A | 92.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 3.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G654 P675 | G654-A677 WeakPolarHBondContact O-CB 3.37Å; G654-A677 PolarHBondContact O-N 3.4Å; P675-A677 VanDerWaalsContact C-N 3.31Å; P675-A677 PolarHBondContact O-N 2.82Å |
| 678 | T | 93.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | trans | -54.5 | 142.5 | -177.7 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | V674 P675 V676 E682 V683 S717 | V674-T678 HydrophobicContact CB-CG2 3.99Å; V674-T678 HydrophobicContact CG1-CG2 4.37Å; V674-T678 HydrophobicContact CG2-CG2 4.15Å; P675-T678 WeakPolarHBondContact CB-OG1 3.22Å; P675-T678 VanDerWaalsContact CD-OG1 3.23Å; P675-T678 WeakPolarHBondContact CD-OG1 3.45Å; P675-T678 WeakPolarHBondContact O-CB 3.5Å; P675-T678 PolarHBondContact O-N 2.77Å; P675-T678 PolarHBondContact O-OG1 3.33Å; V676-T678 PolarHBondContact O-N 3.2Å; T678-E682 WeakPolarHBondContact CA-OE2 3.34Å; T678-E682 HydrophobicContact CG2-CB 3.42Å; T678-E682 VanDerWaalsContact CG2-CB 3.42Å; T678-E682 HydrophobicContact CG2-CG 4.43Å; T678-E682 VanDerWaalsContact CG2-OE2 3.3Å; T678-E682 WeakPolarHBondContact CG2-OE2 3.49Å; T678-E682 PolarHBondContact OG1-OE2 3.39Å; T678-V683 HydrophobicContact CG2-CG2 3.81Å; T678-S717 PolarHBondContact O-N 2.72Å; T678-S717 VanDerWaalsContact O-N 3.14Å | ||
| 679 | S | 96.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 155.8 | 176.7 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | K681 E682 V683 D715 | S679-K681 PolarHBondContact O-N 2.65Å; S679-E682 PolarHBondContact N-OE2 3.12Å; S679-E682 WeakPolarHBondContact O-CB 3.42Å; S679-E682 PolarHBondContact O-N 3.31Å; S679-E682 WeakPolarHBondContact OG-CG 3.36Å; S679-E682 PolarHBondContact OG-N 3.09Å; S679-E682 PolarHBondContact OG-OE1 3.08Å; S679-V683 PolarHBondContact O-N 2.84Å; S679-D715 CarbonylContact C-O 3.6Å; S679-D715 VanDerWaalsContact CA-O 3.3Å; S679-D715 WeakPolarHBondContact CA-O 3.45Å |
| 680 | V | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.1 | -36.1 | 175.1 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | E682 V683 I684 I699 L711 K712 D715 V718 | V680-E682 VanDerWaalsContact C-N 3.33Å; V680-E682 PolarHBondContact O-N 3.24Å; V680-V683 WeakPolarHBondContact O-CB 3.48Å; V680-V683 PolarHBondContact O-N 2.81Å; V680-I684 HydrophobicContact CG1-CD1 4Å; V680-I684 HydrophobicContact CG1-CG1 4.41Å; V680-I684 VanDerWaalsContact O-CG1 3.31Å; V680-I684 WeakPolarHBondContact O-CG1 3.29Å; V680-I684 PolarHBondContact O-N 3.46Å; V680-I699 HydrophobicContact CG1-CB 3.91Å; V680-I699 HydrophobicContact CG1-CG1 3.92Å; V680-L711 HydrophobicContact CG1-CB 4.31Å; V680-L711 HydrophobicContact CG2-CB 3.83Å; V680-L711 HydrophobicContact CG2-CD1 4.22Å; V680-K712 VanDerWaalsContact CB-O 3.26Å; V680-K712 WeakPolarHBondContact CB-O 3.33Å; V680-K712 WeakPolarHBondContact CG2-O 3.39Å; V680-D715 HydrophobicContact CG2-CB 3.87Å; V680-D715 PolarHBondContact N-O 3.38Å; V680-V718 HydrophobicContact CG2-CG1 3.65Å; V680-V718 HydrophobicContact CG2-CG2 4.3Å |
| 681 | K | 95.3 | Very high | 93.7 | Very high | 148 Ų | 148 | 50 Ų | 50 | 64% | 0.643 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58 | -44.4 | 174.1 | -175.2 | -178.2 | 177 | -176.2 | 0 | 112.3 | S679 I684 S685 P713 | S679-K681 PolarHBondContact O-N 2.65Å; K681-I684 PolarHBondContact O-N 3.06Å; K681-S685 PolarHBondContact O-N 3.39Å; K681-P713 HydrophobicContact CB-CB 4.32Å; K681-P713 PolarHBondContact N-O 3.34Å; K681-P713 VanDerWaalsContact N-O 3.11Å |
| 682 | E | 95.2 | Very high | 93.3 | Very high | 101 Ų | 101 | 51.6 Ų | 51.6 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 176.9 | -71.2 | 151.5 | -136.4 | 0 | 0 | 111.9 | T678 S679 V680 S685 A686 | T678-E682 WeakPolarHBondContact CA-OE2 3.34Å; T678-E682 HydrophobicContact CG2-CB 3.42Å; T678-E682 VanDerWaalsContact CG2-CB 3.42Å; T678-E682 HydrophobicContact CG2-CG 4.43Å; T678-E682 VanDerWaalsContact CG2-OE2 3.3Å; T678-E682 WeakPolarHBondContact CG2-OE2 3.49Å; T678-E682 PolarHBondContact OG1-OE2 3.39Å; S679-E682 PolarHBondContact N-OE2 3.12Å; S679-E682 WeakPolarHBondContact O-CB 3.42Å; S679-E682 PolarHBondContact O-N 3.31Å; S679-E682 WeakPolarHBondContact OG-CG 3.36Å; S679-E682 PolarHBondContact OG-N 3.09Å; S679-E682 PolarHBondContact OG-OE1 3.08Å; V680-E682 VanDerWaalsContact C-N 3.33Å; V680-E682 PolarHBondContact O-N 3.24Å; E682-S685 WeakPolarHBondContact O-CB 3.36Å; E682-S685 PolarHBondContact O-N 2.9Å; E682-A686 WeakPolarHBondContact O-CB 3.47Å; E682-A686 PolarHBondContact O-N 3.45Å |
| 683 | V | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | V662 I672 T678 S679 V680 S685 A686 V687 I699 F719 L728 | V662-V683 HydrophobicContact CG2-CG1 4.47Å; I672-V683 HydrophobicContact CD1-CB 4.47Å; I672-V683 HydrophobicContact CD1-CG1 3.84Å; I672-V683 HydrophobicContact CD1-CG2 4.36Å; T678-V683 HydrophobicContact CG2-CG2 3.81Å; S679-V683 PolarHBondContact O-N 2.84Å; V680-V683 WeakPolarHBondContact O-CB 3.48Å; V680-V683 PolarHBondContact O-N 2.81Å; V683-S685 VanDerWaalsContact C-N 3.31Å; V683-S685 PolarHBondContact O-N 3.26Å; V683-A686 PolarHBondContact O-N 2.97Å; V683-V687 HydrophobicContact CG1-CG2 4.46Å; V683-V687 WeakPolarHBondContact O-CG2 3.48Å; V683-V687 PolarHBondContact O-N 3.41Å; V683-I699 HydrophobicContact CG1-CD1 3.92Å; V683-I699 HydrophobicContact CG1-CG1 4.15Å; V683-F719 HydrophobicContact CG2-CE1 4.1Å; V683-F719 HydrophobicContact CG2-CZ 3.76Å; V683-L728 HydrophobicContact CG1-CD2 4.46Å |
| 684 | I | 95.5 | Very high | 91.1 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 175.8 | -69.1 | 165.6 | 0 | 0 | 0 | 110.1 | V680 K681 A686 V687 A688 L697 I699 | V680-I684 HydrophobicContact CG1-CD1 4Å; V680-I684 HydrophobicContact CG1-CG1 4.41Å; V680-I684 VanDerWaalsContact O-CG1 3.31Å; V680-I684 WeakPolarHBondContact O-CG1 3.29Å; V680-I684 PolarHBondContact O-N 3.46Å; K681-I684 PolarHBondContact O-N 3.06Å; I684-A686 PolarHBondContact O-N 2.92Å; I684-V687 PolarHBondContact O-N 3.17Å; I684-A688 VanDerWaalsContact O-CB 3.27Å; I684-A688 WeakPolarHBondContact O-CB 3.26Å; I684-A688 PolarHBondContact O-N 3.32Å; I684-L697 HydrophobicContact CG2-CB 4.13Å; I684-I699 HydrophobicContact CD1-CG1 4.19Å; I684-I699 HydrophobicContact CG1-CD1 4.02Å; I684-I699 HydrophobicContact CG1-CG1 3.49Å; I684-I699 VanDerWaalsContact CG1-CG1 3.49Å |
| 685 | S | 94.9 | Very high | 89.8 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 56% | 0.559 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 178.5 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | K681 E682 V683 V687 A688 D689 | K681-S685 PolarHBondContact O-N 3.39Å; E682-S685 WeakPolarHBondContact O-CB 3.36Å; E682-S685 PolarHBondContact O-N 2.9Å; V683-S685 VanDerWaalsContact C-N 3.31Å; V683-S685 PolarHBondContact O-N 3.26Å; S685-V687 VanDerWaalsContact C-N 3.34Å; S685-V687 PolarHBondContact O-N 2.95Å; S685-A688 PolarHBondContact O-N 3.12Å; S685-D689 WeakPolarHBondContact O-CB 3.48Å; S685-D689 PolarHBondContact O-N 2.88Å |
| 686 | A | 94.8 | Very high | 89.4 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 20% | 0.198 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.1 | -32.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I672 V674 E682 V683 I684 | I672-A686 HydrophobicContact CB-CB 4.33Å; I672-A686 HydrophobicContact CG2-CB 4.07Å; V674-A686 HydrophobicContact CG1-CB 3.89Å; E682-A686 WeakPolarHBondContact O-CB 3.47Å; E682-A686 PolarHBondContact O-N 3.45Å; V683-A686 PolarHBondContact O-N 2.97Å; I684-A686 PolarHBondContact O-N 2.92Å |
| 687 | V | 94.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.6 | -46.8 | 174.3 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | V662 I672 V683 I684 S685 D689 K690 L691 L697 A730 | V662-V687 HydrophobicContact CB-CG2 3.95Å; V662-V687 HydrophobicContact CG1-CG2 4.03Å; V662-V687 HydrophobicContact CG2-CG2 3.95Å; I672-V687 HydrophobicContact CG2-CG2 3.8Å; V683-V687 HydrophobicContact CG1-CG2 4.46Å; V683-V687 WeakPolarHBondContact O-CG2 3.48Å; V683-V687 PolarHBondContact O-N 3.41Å; I684-V687 PolarHBondContact O-N 3.17Å; S685-V687 VanDerWaalsContact C-N 3.34Å; S685-V687 PolarHBondContact O-N 2.95Å; V687-D689 VanDerWaalsContact C-N 3.31Å; V687-D689 PolarHBondContact O-N 3.46Å; V687-K690 PolarHBondContact O-N 2.77Å; V687-L691 HydrophobicContact CG1-CD1 3.58Å; V687-L691 HydrophobicContact CG1-CG 4.2Å; V687-L691 WeakPolarHBondContact O-CB 3.43Å; V687-L691 WeakPolarHBondContact O-CG 3.49Å; V687-L691 PolarHBondContact O-N 3.36Å; V687-L697 HydrophobicContact CG1-CD1 4.23Å; V687-A730 HydrophobicContact CG1-CB 3.86Å |
| 688 | A | 93.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I684 S685 K690 L691 G692 S693 L697 | I684-A688 VanDerWaalsContact O-CB 3.27Å; I684-A688 WeakPolarHBondContact O-CB 3.26Å; I684-A688 PolarHBondContact O-N 3.32Å; S685-A688 PolarHBondContact O-N 3.12Å; A688-K690 PolarHBondContact O-N 3.01Å; A688-L691 PolarHBondContact O-N 2.96Å; A688-G692 WeakPolarHBondContact O-CA 3.19Å; A688-G692 PolarHBondContact O-N 3.22Å; A688-S693 PolarHBondContact O-N 3.23Å; A688-S693 VanDerWaalsContact O-N 3.12Å; A688-L697 HydrophobicContact CB-CD1 4.23Å |
| 689 | D | 92.6 | Very high | 89.8 | Confident | 134 Ų | 134 | 56.7 Ų | 56.7 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.4 | -45.2 | 176.6 | -176.7 | 54.3 | 0 | 0 | 0 | 112.1 | S685 V687 | S685-D689 WeakPolarHBondContact O-CB 3.48Å; S685-D689 PolarHBondContact O-N 2.88Å; V687-D689 VanDerWaalsContact C-N 3.31Å; V687-D689 PolarHBondContact O-N 3.46Å |
| 690 | K | 92.3 | Very high | 89.8 | Confident | 120 Ų | 120 | 56 Ų | 56 | 52% | 0.522 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.6 | -31.1 | -179.8 | -73.8 | -169.8 | 174 | -165.5 | 0 | 114.2 | T670 T671 V687 A688 | T670-K690 HydrophobicContact CG2-CB 3.53Å; T670-K690 HydrophobicContact CG2-CD 3.44Å; T670-K690 VanDerWaalsContact CG2-CD 3.44Å; T670-K690 HydrophobicContact CG2-CG 4.1Å; T671-K690 PolarHBondContact O-NZ 2.94Å; V687-K690 PolarHBondContact O-N 2.77Å; A688-K690 PolarHBondContact O-N 3.01Å |
| 691 | L | 89.6 | Confident | 89.8 | Confident | 77 Ų | 77 | 57.6 Ų | 57.6 | 40% | 0.403 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -85.7 | -11 | 177.5 | -67.3 | 180 | 0 | 0 | 0 | 112.7 | T670 V687 A688 S693 | T670-L691 WeakPolarHBondContact OG1-CD2 3.4Å; V687-L691 HydrophobicContact CG1-CD1 3.58Å; V687-L691 HydrophobicContact CG1-CG 4.2Å; V687-L691 WeakPolarHBondContact O-CB 3.43Å; V687-L691 WeakPolarHBondContact O-CG 3.49Å; V687-L691 PolarHBondContact O-N 3.36Å; A688-L691 PolarHBondContact O-N 2.96Å; L691-S693 PolarHBondContact O-N 3.4Å |
| 692 | G | 84.6 | Confident | 89.8 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 73% | 0.732 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 26.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | A688 | A688-G692 WeakPolarHBondContact O-CA 3.19Å; A688-G692 PolarHBondContact O-N 3.22Å |
| 693 | S | 74.8 | Confident | 89.8 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | trans | -91.3 | 126.1 | -172.6 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | A688 L691 E695 | A688-S693 PolarHBondContact O-N 3.23Å; A688-S693 VanDerWaalsContact O-N 3.12Å; L691-S693 PolarHBondContact O-N 3.4Å; S693-E695 VanDerWaalsContact C-N 3.35Å; S693-E695 PolarHBondContact OG-N 3.47Å | ||
| 694 | G | 63.8 | Low | 89.6 | Confident | 87 Ų | 87 | 47 Ų | 47 | 90% | 0.897 | 31% | 0.309 | S | S | * | . | trans | -92.3 | 7.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 695 | E | 64.9 | Low | 89.4 | Confident | 124 Ų | 124 | 46.7 Ų | 46.7 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -86.5 | 151.4 | -173.3 | -60.9 | -179 | 175.3 | 0 | 0 | 111.5 | S693 L697 P732 | S693-E695 VanDerWaalsContact C-N 3.35Å; S693-E695 PolarHBondContact OG-N 3.47Å; E695-L697 PolarHBondContact O-N 2.83Å; E695-P732 WeakPolarHBondContact OE2-CG 3.31Å |
| 696 | G | 84.9 | Confident | 89.2 | Confident | 66 Ų | 66 | 44 Ų | 44 | 68% | 0.68 | 30% | 0.301 | S | S | * | . | trans | -68.6 | 71.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 697 | L | 93.4 | Very high | 89.1 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 138.5 | -180 | -67.1 | 176.9 | 0 | 0 | 0 | 111.3 | I684 V687 A688 E695 | I684-L697 HydrophobicContact CG2-CB 4.13Å; V687-L697 HydrophobicContact CG1-CD1 4.23Å; A688-L697 HydrophobicContact CB-CD1 4.23Å; E695-L697 PolarHBondContact O-N 2.83Å |
| 698 | I | 95.5 | Very high | 89 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 150.2 | 168.3 | 58 | 164 | 0 | 0 | 0 | 109.7 | V700 V710 A730 C731 R733 F736 | I698-V700 HydrophobicContact CD1-CG2 3.85Å; I698-V700 HydrophobicContact CG1-CG2 4.13Å; I698-V710 HydrophobicContact CB-CG1 4.34Å; I698-V710 HydrophobicContact CD1-CG1 4.3Å; I698-V710 HydrophobicContact CD1-CG2 4.08Å; I698-A730 WeakPolarHBondContact O-CA 3.48Å; I698-C731 WeakPolarHBondContact CG1-O 3.35Å; I698-C731 PolarHBondContact N-O 3.34Å; I698-C731 PolarHBondContact O-N 2.85Å; I698-R733 HydrophobicContact CD1-CB 4.41Å; I698-R733 HydrophobicContact CD1-CG 4.42Å; I698-F736 HydrophobicContact CD1-CB 4.48Å; I698-F736 HydrophobicContact CD1-CD2 4.14Å |
| 699 | I | 97.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.3 | 172.1 | -59.8 | -60.5 | 0 | 0 | 0 | 109.3 | V662 V680 V683 I684 L711 L728 F729 A730 | V662-I699 HydrophobicContact CG1-CD1 4.34Å; V680-I699 HydrophobicContact CG1-CB 3.91Å; V680-I699 HydrophobicContact CG1-CG1 3.92Å; V683-I699 HydrophobicContact CG1-CD1 3.92Å; V683-I699 HydrophobicContact CG1-CG1 4.15Å; I684-I699 HydrophobicContact CD1-CG1 4.19Å; I684-I699 HydrophobicContact CG1-CD1 4.02Å; I684-I699 HydrophobicContact CG1-CG1 3.49Å; I684-I699 VanDerWaalsContact CG1-CG1 3.49Å; I699-L711 HydrophobicContact CG2-CD1 3.88Å; I699-L711 HydrophobicContact CG2-CG 4.45Å; I699-L711 PolarHBondContact O-N 3.02Å; I699-L728 HydrophobicContact CG2-CD1 3.5Å; I699-L728 HydrophobicContact CG2-CD2 3.78Å; I699-L728 HydrophobicContact CG2-CG 3.54Å; I699-F729 CarbonylContact C-O 3.51Å; I699-F729 WeakPolarHBondContact CA-O 3.41Å; I699-A730 HydrophobicContact CD1-CB 3.86Å |
| 700 | V | 97.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.9 | -177 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | I698 K708 V709 V710 F729 F736 L739 | I698-V700 HydrophobicContact CD1-CG2 3.85Å; I698-V700 HydrophobicContact CG1-CG2 4.13Å; V700-K708 HydrophobicContact CG1-CB 3.94Å; V700-V709 WeakPolarHBondContact CA-O 3.4Å; V700-V710 HydrophobicContact CG2-CG2 4.4Å; V700-F729 HydrophobicContact CB-CB 4.41Å; V700-F729 PolarHBondContact N-O 3.34Å; V700-F729 PolarHBondContact O-N 2.7Å; V700-F736 HydrophobicContact CG1-CD2 4.31Å; V700-F736 HydrophobicContact CG1-CE2 3.82Å; V700-F736 HydrophobicContact CG2-CD2 3.85Å; V700-F736 HydrophobicContact CG2-CE2 4.05Å; V700-L739 HydrophobicContact CB-CD1 4.05Å; V700-L739 HydrophobicContact CG1-CD1 4.07Å; V700-L739 HydrophobicContact CG2-CD1 4.08Å |
| 701 | K | 95.6 | Very high | 89.4 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.1 | 163.1 | 61.9 | 174.2 | 175.3 | -175.3 | 0 | 109 | H8 K708 V709 L711 L722 L728 | H8-K701 PolarHBondContact CD2-NZ 3.49Å; H8-K701 PolarHBondContact NE2-NZ 3.45Å; K701-K708 WeakPolarHBondContact O-CA 3.31Å; K701-V709 HydrophobicContact CD-CB 4.12Å; K701-V709 VanDerWaalsContact CE-CG1 3.43Å; K701-V709 HydrophobicContact CG-CB 3.67Å; K701-V709 HydrophobicContact CG-CG1 4.43Å; K701-V709 HydrophobicContact CG-CG2 4.44Å; K701-V709 WeakPolarHBondContact CG-O 3.43Å; K701-V709 PolarHBondContact N-O 3.04Å; K701-V709 PolarHBondContact O-N 2.99Å; K701-L711 HydrophobicContact CD-CD2 3.95Å; K701-L711 HydrophobicContact CG-CD2 3.99Å; K701-L722 HydrophobicContact CB-CD2 3.71Å; K701-L728 HydrophobicContact CB-CD1 4.41Å |
| 702 | M | 95.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.1 | 176.6 | -176.3 | 158.3 | 50.3 | 0 | 0 | 110.9 | E707 K708 G726 R727 F729 L739 T740 P741 Q745 | M702-E707 WeakPolarHBondContact CA-O 3.22Å; M702-K708 HydrophobicContact CG-CG 4.42Å; M702-K708 HydrophobicContact SD-CG 4.13Å; M702-G726 WeakPolarHBondContact O-CA 3.45Å; M702-R727 PolarHBondContact N-O 3.18Å; M702-R727 PolarHBondContact O-N 3.42Å; M702-F729 HydrophobicContact CB-CD2 4.1Å; M702-F729 HydrophobicContact CB-CE2 4.12Å; M702-F729 HydrophobicContact CE-CD1 4.32Å; M702-F729 HydrophobicContact CE-CD2 3.62Å; M702-F729 HydrophobicContact CE-CE1 3.87Å; M702-F729 HydrophobicContact CE-CE2 3.11Å; M702-F729 HydrophobicContact CE-CG 4.2Å; M702-F729 HydrophobicContact CE-CZ 3.24Å; M702-L739 HydrophobicContact CE-CB 4.33Å; M702-L739 HydrophobicContact SD-CB 4.4Å; M702-T740 WeakPolarHBondContact CE-O 3.38Å; M702-P741 HydrophobicContact CG-CG 4.44Å; M702-P741 HydrophobicContact SD-CG 4.09Å; M702-Q745 PolarHBondContact O-NE2 2.82Å; M702-Q745 VanDerWaalsContact O-NE2 3.07Å |
| 703 | S | 94 | Very high | 90 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | trans | -80.9 | 169.2 | 174.9 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | G705 G706 E707 | S703-G705 PolarHBondContact O-N 3.41Å; S703-G705 PolarHBondContact OG-N 3.22Å; S703-G706 PolarHBondContact O-N 3.22Å; S703-G706 VanDerWaalsContact O-N 3.09Å; S703-E707 PolarHBondContact N-O 3.41Å; S703-E707 WeakPolarHBondContact OG-CB 3.35Å; S703-E707 PolarHBondContact OG-N 3.5Å | ||
| 704 | S | 92.3 | Very high | 90.9 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18 | 172 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | G706 Q745 D982 N983 | S704-G706 VanDerWaalsContact C-N 3.31Å; S704-Q745 WeakPolarHBondContact CB-O 3.41Å; S704-D982 VanDerWaalsContact CB-OD1 3.23Å; S704-D982 WeakPolarHBondContact CB-OD1 3.46Å; S704-D982 PolarHBondContact OG-OD1 3.02Å; S704-N983 PolarHBondContact O-ND2 3.42Å; S704-N983 PolarHBondContact OG-N 2.95Å |
| 705 | G | 90.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S703 E707 N983 | S703-G705 PolarHBondContact O-N 3.41Å; S703-G705 PolarHBondContact OG-N 3.22Å; G705-E707 VanDerWaalsContact C-N 3.3Å; G705-N983 WeakPolarHBondContact CA-ND2 3.47Å |
| 706 | G | 90.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | trans | 79.2 | 10.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S703 S704 P741 | S703-G706 PolarHBondContact O-N 3.22Å; S703-G706 VanDerWaalsContact O-N 3.09Å; S704-G706 VanDerWaalsContact C-N 3.31Å; G706-P741 VanDerWaalsContact CA-CG 3.49Å | ||
| 707 | E | 92.6 | Very high | 94.2 | Very high | 123 Ų | 123 | 42.3 Ų | 42.3 | 58% | 0.575 | 24% | 0.235 | S | C | * | . | trans | -71.9 | 130.8 | 172 | -61.6 | 173.1 | 176 | 0 | 0 | 109.5 | M702 S703 G705 | M702-E707 WeakPolarHBondContact CA-O 3.22Å; S703-E707 PolarHBondContact N-O 3.41Å; S703-E707 WeakPolarHBondContact OG-CB 3.35Å; S703-E707 PolarHBondContact OG-N 3.5Å; G705-E707 VanDerWaalsContact C-N 3.3Å | ||
| 708 | K | 93.7 | Very high | 94.2 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.5 | -173 | -56.9 | 168.9 | -167 | -177.5 | 0 | 109.4 | V700 K701 M702 F736 D737 L739 | V700-K708 HydrophobicContact CG1-CB 3.94Å; K701-K708 WeakPolarHBondContact O-CA 3.31Å; M702-K708 HydrophobicContact CG-CG 4.42Å; M702-K708 HydrophobicContact SD-CG 4.13Å; K708-F736 HydrophobicContact CB-CE1 4.44Å; K708-F736 HydrophobicContact CB-CE2 3.72Å; K708-F736 HydrophobicContact CB-CZ 3.52Å; K708-F736 HydrophobicContact CD-CE1 4.37Å; K708-F736 HydrophobicContact CD-CE2 4.33Å; K708-F736 HydrophobicContact CD-CZ 4.14Å; K708-F736 WeakPolarHBondContact CD-O 3.12Å; K708-F736 HydrophobicContact CG-CZ 4.49Å; K708-F736 PolarHBondContact NZ-O 2.98Å; K708-D737 VanDerWaalsContact NZ-C 3.28Å; K708-D737 PolarHBondContact NZ-O 3.27Å; K708-L739 HydrophobicContact CD-CB 4.26Å; K708-L739 WeakPolarHBondContact CE-O 2.83Å; K708-L739 PolarHBondContact NZ-O 2.91Å |
| 709 | V | 95 | Very high | 94 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 30% | 0.303 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 123.7 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | V700 K701 | V700-V709 WeakPolarHBondContact CA-O 3.4Å; K701-V709 HydrophobicContact CD-CB 4.12Å; K701-V709 VanDerWaalsContact CE-CG1 3.43Å; K701-V709 HydrophobicContact CG-CB 3.67Å; K701-V709 HydrophobicContact CG-CG1 4.43Å; K701-V709 HydrophobicContact CG-CG2 4.44Å; K701-V709 WeakPolarHBondContact CG-O 3.43Å; K701-V709 PolarHBondContact N-O 3.04Å; K701-V709 PolarHBondContact O-N 2.99Å |
| 710 | V | 96.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 127.6 | 173.4 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | I698 V700 F736 | I698-V710 HydrophobicContact CB-CG1 4.34Å; I698-V710 HydrophobicContact CD1-CG1 4.3Å; I698-V710 HydrophobicContact CD1-CG2 4.08Å; V700-V710 HydrophobicContact CG2-CG2 4.4Å; V710-F736 HydrophobicContact CG2-CD2 3.87Å; V710-F736 HydrophobicContact CG2-CE2 3.46Å; V710-F736 VanDerWaalsContact CG2-CE2 3.46Å; V710-F736 HydrophobicContact CG2-CZ 4.14Å |
| 711 | L | 94.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 143.8 | 177.4 | -57.6 | -176.8 | 0 | 0 | 0 | 110.8 | V680 I699 K701 V718 L728 | V680-L711 HydrophobicContact CG1-CB 4.31Å; V680-L711 HydrophobicContact CG2-CB 3.83Å; V680-L711 HydrophobicContact CG2-CD1 4.22Å; I699-L711 HydrophobicContact CG2-CD1 3.88Å; I699-L711 HydrophobicContact CG2-CG 4.45Å; I699-L711 PolarHBondContact O-N 3.02Å; K701-L711 HydrophobicContact CD-CD2 3.95Å; K701-L711 HydrophobicContact CG-CD2 3.99Å; L711-V718 HydrophobicContact CD1-CB 3.84Å; L711-V718 HydrophobicContact CD1-CG1 3.92Å; L711-V718 HydrophobicContact CD1-CG2 4.07Å; L711-L728 HydrophobicContact CD1-CD1 3.77Å |
| 712 | K | 94.4 | Very high | 93.3 | Very high | 151 Ų | 151 | 41.7 Ų | 41.7 | 66% | 0.657 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -78.4 | 146.4 | 179.7 | -60.2 | -179.7 | -177.2 | 176.9 | 0 | 109.6 | V680 N714 D715 | V680-K712 VanDerWaalsContact CB-O 3.26Å; V680-K712 WeakPolarHBondContact CB-O 3.33Å; V680-K712 WeakPolarHBondContact CG2-O 3.39Å; K712-N714 PolarHBondContact O-N 2.89Å; K712-N714 VanDerWaalsContact O-N 3.07Å; K712-D715 PolarHBondContact N-OD2 2.98Å; K712-D715 WeakPolarHBondContact O-CB 3.27Å; K712-D715 PolarHBondContact O-N 2.99Å |
| 713 | P | 93.5 | Very high | 93.2 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.4 | 178.8 | -27.9 | 35.5 | 0 | 0 | 0 | 115 | K681 | K681-P713 HydrophobicContact CB-CB 4.32Å; K681-P713 PolarHBondContact N-O 3.34Å; K681-P713 VanDerWaalsContact N-O 3.11Å |
| 714 | N | 93.9 | Very high | 93 | Very high | 127 Ų | 127 | 44.9 Ų | 44.9 | 68% | 0.679 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.7 | 179.9 | -67.9 | -7.1 | 0 | 0 | 0 | 113.8 | K712 | K712-N714 PolarHBondContact O-N 2.89Å; K712-N714 VanDerWaalsContact O-N 3.07Å |
| 715 | D | 93.7 | Very high | 93.1 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | trans | -66.7 | 139.6 | 175.5 | -64.9 | -23.3 | 0 | 0 | 0 | 109.2 | S679 V680 K712 V718 | S679-D715 CarbonylContact C-O 3.6Å; S679-D715 VanDerWaalsContact CA-O 3.3Å; S679-D715 WeakPolarHBondContact CA-O 3.45Å; V680-D715 HydrophobicContact CG2-CB 3.87Å; V680-D715 PolarHBondContact N-O 3.38Å; K712-D715 PolarHBondContact N-OD2 2.98Å; K712-D715 WeakPolarHBondContact O-CB 3.27Å; K712-D715 PolarHBondContact O-N 2.99Å; D715-V718 HydrophobicContact CB-CG1 3.91Å | ||
| 716 | V | 94.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -123.2 | 151.2 | -176.2 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | V718 R791 | V716-V718 PolarHBondContact O-N 3.03Å; V716-R791 HydrophobicContact CG2-CB 3.98Å |
| 717 | S | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 54.4 | 47.6 | 177.1 | -161.7 | 0 | 0 | 0 | 0 | 114 | V676 T678 F719 T797 | V676-S717 VanDerWaalsContact O-CA 3.26Å; V676-S717 WeakPolarHBondContact O-CA 3.37Å; V676-S717 PolarHBondContact O-OG 3.38Å; T678-S717 PolarHBondContact O-N 2.72Å; T678-S717 VanDerWaalsContact O-N 3.14Å; S717-F719 VanDerWaalsContact C-N 3.3Å; S717-F719 PolarHBondContact O-N 3.26Å; S717-T797 PolarHBondContact OG-OG1 3.26Å | ||
| 718 | V | 93.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -75.1 | -18.3 | -171.7 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | V680 L711 D715 V716 T720 T721 L728 | V680-V718 HydrophobicContact CG2-CG1 3.65Å; V680-V718 HydrophobicContact CG2-CG2 4.3Å; L711-V718 HydrophobicContact CD1-CB 3.84Å; L711-V718 HydrophobicContact CD1-CG1 3.92Å; L711-V718 HydrophobicContact CD1-CG2 4.07Å; D715-V718 HydrophobicContact CB-CG1 3.91Å; V716-V718 PolarHBondContact O-N 3.03Å; V718-T720 PolarHBondContact O-N 3.45Å; V718-T721 PolarHBondContact O-N 3.14Å; V718-T721 PolarHBondContact O-OG1 3.42Å; V718-L728 HydrophobicContact CG2-CD2 4.45Å |
| 719 | F | 91.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -62.6 | -40.4 | -172.6 | -46.9 | -65.8 | 0 | 0 | 0 | 113.5 | V658 F660 V674 V683 S717 | V658-F719 HydrophobicContact CG1-CD2 3.94Å; V658-F719 HydrophobicContact CG1-CE2 3.83Å; V658-F719 HydrophobicContact CG1-CG 4.37Å; V658-F719 HydrophobicContact CG1-CZ 4.18Å; F660-F719 HydrophobicContact CB-CD1 4.19Å; F660-F719 HydrophobicContact CB-CE1 4.24Å; F660-F719 AromaticContact CD1-CD1 3.79Å; F660-F719 HydrophobicContact CD1-CD1 3.79Å; F660-F719 HydrophobicContact CD1-CE1 4.15Å; F660-F719 HydrophobicContact CD2-CB 3.97Å; F660-F719 AromaticContact CD2-CD1 3.65Å; F660-F719 HydrophobicContact CD2-CD1 3.65Å; F660-F719 HydrophobicContact CD2-CE1 4.5Å; F660-F719 HydrophobicContact CD2-CG 4.05Å; F660-F719 HydrophobicContact CE1-CD1 4.09Å; F660-F719 HydrophobicContact CE2-CB 3.8Å; F660-F719 AromaticContact CE2-CD1 3.94Å; F660-F719 HydrophobicContact CE2-CD1 3.94Å; F660-F719 HydrophobicContact CE2-CG 4.27Å; F660-F719 AromaticContact CG-CD1 3.58Å; F660-F719 HydrophobicContact CG-CD1 3.58Å; F660-F719 HydrophobicContact CG-CE1 4.03Å; F660-F719 HydrophobicContact CG-CG 4.39Å; F660-F719 HydrophobicContact CZ-CB 4.44Å; F660-F719 HydrophobicContact CZ-CD1 4.15Å; V674-F719 HydrophobicContact CG2-CE1 4.48Å; V674-F719 HydrophobicContact CG2-CE2 4.13Å; V674-F719 HydrophobicContact CG2-CZ 3.6Å; V683-F719 HydrophobicContact CG2-CE1 4.1Å; V683-F719 HydrophobicContact CG2-CZ 3.76Å; S717-F719 VanDerWaalsContact C-N 3.3Å; S717-F719 PolarHBondContact O-N 3.26Å |
| 720 | T | 91.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -82.9 | -15.2 | -179 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | V718 L722 A799 D802 L803 | V718-T720 PolarHBondContact O-N 3.45Å; T720-L722 VanDerWaalsContact C-N 3.29Å; T720-L722 PolarHBondContact O-N 3.35Å; T720-A799 HydrophobicContact CG2-CB 3.8Å; T720-D802 PolarHBondContact OG1-OD2 3.37Å; T720-L803 HydrophobicContact CG2-CD1 4.44Å; T720-L803 HydrophobicContact CG2-CD2 4.15Å; T720-L803 HydrophobicContact CG2-CG 4.06Å |
| 721 | T | 92.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 27% | 0.27 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -81.6 | -4.5 | -178.3 | 72.5 | 0 | 0 | 0 | 0 | 114.4 | V718 | V718-T721 PolarHBondContact O-N 3.14Å; V718-T721 PolarHBondContact O-OG1 3.42Å |
| 722 | L | 91.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -65.5 | 152 | 176.9 | -63.8 | 176.5 | 0 | 0 | 0 | 111.6 | F660 K701 T720 L728 R806 | F660-L722 HydrophobicContact CZ-CD1 3.73Å; K701-L722 HydrophobicContact CB-CD2 3.71Å; T720-L722 VanDerWaalsContact C-N 3.29Å; T720-L722 PolarHBondContact O-N 3.35Å; L722-L728 HydrophobicContact CD2-CD1 4.3Å; L722-R806 PolarHBondContact O-NH1 2.81Å |
| 723 | T | 91.7 | Very high | 93.7 | Very high | 67 Ų | 67 | 33.1 Ų | 33.1 | 41% | 0.411 | 17% | 0.17 | S | C | . | . | trans | -61.9 | 172.2 | 167.9 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | N725 G726 R806 | T723-N725 VanDerWaalsContact C-N 3.29Å; T723-N725 PolarHBondContact O-N 2.97Å; T723-G726 PolarHBondContact O-N 3.02Å; T723-G726 VanDerWaalsContact OG1-CA 3.29Å; T723-G726 WeakPolarHBondContact OG1-CA 3.31Å; T723-G726 PolarHBondContact OG1-N 3.4Å; T723-G726 VanDerWaalsContact OG1-N 3.09Å; T723-R806 PolarHBondContact O-NH2 3.41Å | ||
| 724 | I | 91.3 | Very high | 93.6 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.092 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -44.3 | -174.9 | -57.3 | 154 | 0 | 0 | 0 | 111.8 | R806 N809 E810 F813 V980 D982 | I724-R806 VanDerWaalsContact C-NH2 3.33Å; I724-R806 HydrophobicContact CG1-CG 4.16Å; I724-R806 PolarHBondContact O-NH2 2.84Å; I724-N809 HydrophobicContact CD1-CB 3.92Å; I724-N809 HydrophobicContact CG1-CB 4.48Å; I724-E810 HydrophobicContact CD1-CB 4.39Å; I724-E810 HydrophobicContact CG1-CB 4.49Å; I724-F813 HydrophobicContact CD1-CB 4.38Å; I724-F813 HydrophobicContact CD1-CD2 3.69Å; I724-F813 HydrophobicContact CD1-CE2 4.5Å; I724-F813 HydrophobicContact CD1-CG 4.43Å; I724-V980 HydrophobicContact CB-CG2 4.4Å; I724-V980 HydrophobicContact CD1-CG2 4.15Å; I724-V980 HydrophobicContact CG2-CG2 3.61Å; I724-D982 HydrophobicContact CB-CB 4.24Å; I724-D982 HydrophobicContact CD1-CB 4.02Å; I724-D982 PolarHBondContact N-OD2 3.22Å |
| 725 | N | 94.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 17.2 | 174.8 | -62.3 | -39.5 | 0 | 0 | 0 | 112.8 | T723 R727 Q745 V980 D982 | T723-N725 VanDerWaalsContact C-N 3.29Å; T723-N725 PolarHBondContact O-N 2.97Å; N725-R727 PolarHBondContact O-NH1 2.98Å; N725-Q745 HydrophobicContact CB-CB 4.34Å; N725-Q745 WeakPolarHBondContact CB-O 3Å; N725-Q745 VanDerWaalsContact O-CG 3.23Å; N725-Q745 WeakPolarHBondContact O-CG 3.45Å; N725-Q745 PolarHBondContact O-NE2 2.84Å; N725-V980 PolarHBondContact ND2-O 2.88Å; N725-D982 WeakPolarHBondContact CB-OD1 3.39Å; N725-D982 PolarHBondContact N-OD2 3.26Å; N725-D982 PolarHBondContact ND2-OD1 2.67Å |
| 726 | G | 94.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -64.2 | 150.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M702 T723 | M702-G726 WeakPolarHBondContact O-CA 3.45Å; T723-G726 PolarHBondContact O-N 3.02Å; T723-G726 VanDerWaalsContact OG1-CA 3.29Å; T723-G726 WeakPolarHBondContact OG1-CA 3.31Å; T723-G726 PolarHBondContact OG1-N 3.4Å; T723-G726 VanDerWaalsContact OG1-N 3.09Å | ||
| 727 | R | 95.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157.8 | 175.6 | -67.6 | -66.1 | -173.9 | -76 | -5 | 110.7 | Y663 M702 N725 F729 L742 E744 Q745 | Y663-R727 HydrophobicContact CD2-CB 4.48Å; Y663-R727 HydrophobicContact CE2-CG 4.49Å; M702-R727 PolarHBondContact N-O 3.18Å; M702-R727 PolarHBondContact O-N 3.42Å; N725-R727 PolarHBondContact O-NH1 2.98Å; R727-F729 HydrophobicContact CB-CD2 4.37Å; R727-F729 HydrophobicContact CB-CE2 3.75Å; R727-L742 HydrophobicContact CG-CD1 3.96Å; R727-E744 IonicContact NH2-OE2 3.57Å; R727-Q745 VanDerWaalsContact CG-CD 3.42Å; R727-Q745 HydrophobicContact CG-CG 3.64Å |
| 728 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.4 | -179.4 | -155.9 | 71.8 | 0 | 0 | 0 | 109.4 | F660 V662 Y663 V683 I699 K701 L711 V718 L722 | F660-L728 HydrophobicContact CE1-CB 3.77Å; F660-L728 HydrophobicContact CE1-CD2 4.15Å; V662-L728 HydrophobicContact CG2-CD2 4.29Å; Y663-L728 PolarHBondContact N-O 2.77Å; V683-L728 HydrophobicContact CG1-CD2 4.46Å; I699-L728 HydrophobicContact CG2-CD1 3.5Å; I699-L728 HydrophobicContact CG2-CD2 3.78Å; I699-L728 HydrophobicContact CG2-CG 3.54Å; K701-L728 HydrophobicContact CB-CD1 4.41Å; L711-L728 HydrophobicContact CD1-CD1 3.77Å; V718-L728 HydrophobicContact CG2-CD2 4.45Å; L722-L728 HydrophobicContact CD2-CD1 4.3Å |
| 729 | F | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147.3 | -179 | -74.5 | -102.3 | 0 | 0 | 0 | 110.8 | Y663 I699 V700 M702 R727 L739 L742 | Y663-F729 HydrophobicContact CG-CE1 4.47Å; Y663-F729 HydrophobicContact CG-CZ 4.46Å; Y663-F729 CarbonylContact O-C 3.56Å; Y663-F729 WeakPolarHBondContact O-CA 3.29Å; I699-F729 CarbonylContact C-O 3.51Å; I699-F729 WeakPolarHBondContact CA-O 3.41Å; V700-F729 HydrophobicContact CB-CB 4.41Å; V700-F729 PolarHBondContact N-O 3.34Å; V700-F729 PolarHBondContact O-N 2.7Å; M702-F729 HydrophobicContact CB-CD2 4.1Å; M702-F729 HydrophobicContact CB-CE2 4.12Å; M702-F729 HydrophobicContact CE-CD1 4.32Å; M702-F729 HydrophobicContact CE-CD2 3.62Å; M702-F729 HydrophobicContact CE-CE1 3.87Å; M702-F729 HydrophobicContact CE-CE2 3.11Å; M702-F729 HydrophobicContact CE-CG 4.2Å; M702-F729 HydrophobicContact CE-CZ 3.24Å; R727-F729 HydrophobicContact CB-CD2 4.37Å; R727-F729 HydrophobicContact CB-CE2 3.75Å; F729-L739 HydrophobicContact CB-CD1 4.18Å; F729-L739 HydrophobicContact CB-CD2 4.49Å; F729-L739 HydrophobicContact CD1-CD2 4.01Å; F729-L739 HydrophobicContact CG-CD2 4.5Å; F729-L742 HydrophobicContact CE1-CD2 4.37Å; F729-L742 HydrophobicContact CZ-CD1 4.45Å; F729-L742 HydrophobicContact CZ-CD2 3.94Å; F729-L742 HydrophobicContact CZ-CG 3.94Å |
| 730 | A | 96.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V662 Y663 V687 I698 I699 | V662-A730 HydrophobicContact CG1-CB 3.7Å; Y663-A730 PolarHBondContact O-N 3Å; V687-A730 HydrophobicContact CG1-CB 3.86Å; I698-A730 WeakPolarHBondContact O-CA 3.48Å; I699-A730 HydrophobicContact CD1-CB 3.86Å |
| 731 | C | 94.7 | Very high | 94 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 160.6 | 174.9 | 68.9 | 0 | 0 | 0 | 0 | 110.7 | I698 Q735 L739 | I698-C731 WeakPolarHBondContact CG1-O 3.35Å; I698-C731 PolarHBondContact N-O 3.34Å; I698-C731 PolarHBondContact O-N 2.85Å; C731-Q735 HydrophobicContact CB-CB 4.39Å; C731-L739 HydrophobicContact CB-CD2 4.23Å |
| 732 | P | 93.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 48 Ų | 48 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 151.9 | 161.5 | -21.6 | 33.6 | 0 | 0 | 0 | 111.2 | E695 E734 Q735 | E695-P732 WeakPolarHBondContact OE2-CG 3.31Å; P732-E734 PolarHBondContact O-N 3.11Å; P732-Q735 PolarHBondContact O-N 3.05Å; P732-Q735 VanDerWaalsContact O-N 3.1Å |
| 733 | R | 92.3 | Very high | 94.2 | Very high | 201 Ų | 201 | 51.9 Ų | 51.9 | 76% | 0.758 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -61.1 | -31 | -178.1 | -168.9 | 169.3 | -177 | 165 | -0.7 | 113.3 | I698 Q735 F736 | I698-R733 HydrophobicContact CD1-CB 4.41Å; I698-R733 HydrophobicContact CD1-CG 4.42Å; R733-Q735 PolarHBondContact O-N 3.47Å; R733-F736 WeakPolarHBondContact O-CB 3.47Å; R733-F736 PolarHBondContact O-N 3.03Å |
| 734 | E | 92.1 | Very high | 94.1 | Very high | 185 Ų | 185 | 54.4 Ų | 54.4 | 86% | 0.864 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -67 | -24.4 | 179 | -59.1 | -180 | -173.3 | 0 | 0 | 113 | P732 | P732-E734 PolarHBondContact O-N 3.11Š|
| 735 | Q | 91.4 | Very high | 94.2 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -96.3 | 2.9 | -177 | -64.2 | 177.6 | -4.3 | 0 | 0 | 113.2 | M665 C731 P732 R733 D737 S738 L739 | M665-Q735 HydrophobicContact SD-CG 4.31Å; M665-Q735 PolarHBondContact SD-OE1 2.91Å; C731-Q735 HydrophobicContact CB-CB 4.39Å; P732-Q735 PolarHBondContact O-N 3.05Å; P732-Q735 VanDerWaalsContact O-N 3.1Å; R733-Q735 PolarHBondContact O-N 3.47Å; Q735-D737 VanDerWaalsContact C-N 3.32Å; Q735-D737 PolarHBondContact O-N 3.34Å; Q735-S738 PolarHBondContact O-N 2.73Å; Q735-S738 VanDerWaalsContact O-N 3.12Å; Q735-L739 PolarHBondContact O-N 2.82Å |
| 736 | F | 93.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -54.8 | -45.9 | -176.7 | 174.6 | -98.9 | 0 | 0 | 0 | 112.7 | I698 V700 K708 V710 R733 S738 L739 | I698-F736 HydrophobicContact CD1-CB 4.48Å; I698-F736 HydrophobicContact CD1-CD2 4.14Å; V700-F736 HydrophobicContact CG1-CD2 4.31Å; V700-F736 HydrophobicContact CG1-CE2 3.82Å; V700-F736 HydrophobicContact CG2-CD2 3.85Å; V700-F736 HydrophobicContact CG2-CE2 4.05Å; K708-F736 HydrophobicContact CB-CE1 4.44Å; K708-F736 HydrophobicContact CB-CE2 3.72Å; K708-F736 HydrophobicContact CB-CZ 3.52Å; K708-F736 HydrophobicContact CD-CE1 4.37Å; K708-F736 HydrophobicContact CD-CE2 4.33Å; K708-F736 HydrophobicContact CD-CZ 4.14Å; K708-F736 WeakPolarHBondContact CD-O 3.12Å; K708-F736 HydrophobicContact CG-CZ 4.49Å; K708-F736 PolarHBondContact NZ-O 2.98Å; V710-F736 HydrophobicContact CG2-CD2 3.87Å; V710-F736 HydrophobicContact CG2-CE2 3.46Å; V710-F736 VanDerWaalsContact CG2-CE2 3.46Å; V710-F736 HydrophobicContact CG2-CZ 4.14Å; R733-F736 WeakPolarHBondContact O-CB 3.47Å; R733-F736 PolarHBondContact O-N 3.03Å; F736-S738 PolarHBondContact O-N 2.82Å; F736-L739 PolarHBondContact O-N 3.47Å |
| 737 | D | 93.8 | Very high | 94.2 | Very high | 132 Ų | 132 | 60 Ų | 60 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -69.1 | -25 | -177.2 | -66.5 | -41.7 | 0 | 0 | 0 | 112.6 | K708 Q735 | K708-D737 VanDerWaalsContact NZ-C 3.28Å; K708-D737 PolarHBondContact NZ-O 3.27Å; Q735-D737 VanDerWaalsContact C-N 3.32Å; Q735-D737 PolarHBondContact O-N 3.34Å |
| 738 | S | 95 | Very high | 94.2 | Very high | 78 Ų | 78 | 60 Ų | 60 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -83.2 | -11.4 | 179.6 | -54 | 0 | 0 | 0 | 0 | 114.5 | Q735 F736 | Q735-S738 PolarHBondContact O-N 2.73Å; Q735-S738 VanDerWaalsContact O-N 3.12Å; F736-S738 PolarHBondContact O-N 2.82Å |
| 739 | L | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | trans | -59.6 | 138.1 | 176.7 | -67.5 | 178.9 | 0 | 0 | 0 | 111.7 | M665 V700 M702 K708 F729 C731 Q735 F736 | M665-L739 HydrophobicContact CB-CD2 4Å; V700-L739 HydrophobicContact CB-CD1 4.05Å; V700-L739 HydrophobicContact CG1-CD1 4.07Å; V700-L739 HydrophobicContact CG2-CD1 4.08Å; M702-L739 HydrophobicContact CE-CB 4.33Å; M702-L739 HydrophobicContact SD-CB 4.4Å; K708-L739 HydrophobicContact CD-CB 4.26Å; K708-L739 WeakPolarHBondContact CE-O 2.83Å; K708-L739 PolarHBondContact NZ-O 2.91Å; F729-L739 HydrophobicContact CB-CD1 4.18Å; F729-L739 HydrophobicContact CB-CD2 4.49Å; F729-L739 HydrophobicContact CD1-CD2 4.01Å; F729-L739 HydrophobicContact CG-CD2 4.5Å; C731-L739 HydrophobicContact CB-CD2 4.23Å; Q735-L739 PolarHBondContact O-N 2.82Å; F736-L739 PolarHBondContact O-N 3.47Å | ||
| 740 | T | 96.1 | Very high | 94 | Very high | 72 Ų | 72 | 71.1 Ų | 71.1 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | trans | -131.7 | 145.7 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | H667 M702 | H667-T740 PolarHBondContact NE2-O 3.26Å; H667-T740 PolarHBondContact NE2-OG1 3.4Å; M702-T740 WeakPolarHBondContact CE-O 3.38Å | ||
| 741 | P | 95.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 72 Ų | 72 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | trans | -56.7 | 149.9 | 175.8 | -26.1 | 35.9 | 0 | 0 | 0 | 113.1 | M702 G706 | M702-P741 HydrophobicContact CG-CG 4.44Å; M702-P741 HydrophobicContact SD-CG 4.09Å; G706-P741 VanDerWaalsContact CA-CG 3.49Å | ||
| 742 | L | 94.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | trans | -78.5 | 150.9 | 172.3 | -49.2 | 171.8 | 0 | 0 | 0 | 110.6 | Y663 H667 R727 F729 E744 Q745 | Y663-L742 HydrophobicContact CD1-CD1 3.52Å; Y663-L742 HydrophobicContact CD1-CD2 4.02Å; Y663-L742 HydrophobicContact CD1-CG 4.4Å; Y663-L742 HydrophobicContact CD2-CD1 4.15Å; Y663-L742 HydrophobicContact CE1-CD1 3.28Å; Y663-L742 HydrophobicContact CE1-CD2 4.36Å; Y663-L742 HydrophobicContact CE1-CG 4.46Å; Y663-L742 HydrophobicContact CE2-CD1 3.97Å; Y663-L742 HydrophobicContact CG-CD1 3.95Å; H667-L742 HydrophobicContact CB-CD2 3.6Å; R727-L742 HydrophobicContact CG-CD1 3.96Å; F729-L742 HydrophobicContact CE1-CD2 4.37Å; F729-L742 HydrophobicContact CZ-CD1 4.45Å; F729-L742 HydrophobicContact CZ-CD2 3.94Å; F729-L742 HydrophobicContact CZ-CG 3.94Å; L742-E744 PolarHBondContact O-N 3.49Å; L742-Q745 HydrophobicContact CB-CG 4.1Å; L742-Q745 WeakPolarHBondContact O-CB 3.34Å; L742-Q745 PolarHBondContact O-N 3.14Å | ||
| 743 | P | 94.4 | Very high | 93.5 | Very high | 93 Ų | 93 | 74 Ų | 74 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -55.4 | -35.2 | 173.6 | -26.6 | 35.1 | 0 | 0 | 0 | 113.7 | Q745 E746 | P743-Q745 PolarHBondContact O-N 3.05Å; P743-E746 WeakPolarHBondContact O-CB 3.38Å; P743-E746 PolarHBondContact O-N 3.22Å; P743-E746 VanDerWaalsContact O-N 3.15Å |
| 744 | E | 90.2 | Very high | 93.3 | Very high | 120 Ų | 120 | 67.2 Ų | 67.2 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -63.1 | -20.6 | 176.6 | -60.3 | 174 | -158.2 | 0 | 0 | 113.6 | R727 L742 E746 | R727-E744 IonicContact NH2-OE2 3.57Å; L742-E744 PolarHBondContact O-N 3.49Å; E744-E746 VanDerWaalsContact C-N 3.33Å |
| 745 | Q | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -80.5 | -16.1 | 179.1 | -58.1 | -174.6 | -103.4 | 0 | 0 | 112.6 | M702 S704 N725 R727 L742 P743 G747 | M702-Q745 PolarHBondContact O-NE2 2.82Å; M702-Q745 VanDerWaalsContact O-NE2 3.07Å; S704-Q745 WeakPolarHBondContact CB-O 3.41Å; N725-Q745 HydrophobicContact CB-CB 4.34Å; N725-Q745 WeakPolarHBondContact CB-O 3Å; N725-Q745 VanDerWaalsContact O-CG 3.23Å; N725-Q745 WeakPolarHBondContact O-CG 3.45Å; N725-Q745 PolarHBondContact O-NE2 2.84Å; R727-Q745 VanDerWaalsContact CG-CD 3.42Å; R727-Q745 HydrophobicContact CG-CG 3.64Å; L742-Q745 HydrophobicContact CB-CG 4.1Å; L742-Q745 WeakPolarHBondContact O-CB 3.34Å; L742-Q745 PolarHBondContact O-N 3.14Å; P743-Q745 PolarHBondContact O-N 3.05Å; Q745-G747 PolarHBondContact O-N 2.89Å |
| 746 | E | 93.2 | Very high | 93.2 | Very high | 129 Ų | 129 | 58.8 Ų | 58.8 | 60% | 0.603 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -70.4 | -19.6 | -177.4 | -61.1 | -169.2 | 162.9 | 0 | 0 | 112.9 | P743 E744 | P743-E746 WeakPolarHBondContact O-CB 3.38Å; P743-E746 PolarHBondContact O-N 3.22Å; P743-E746 VanDerWaalsContact O-N 3.15Å; E744-E746 VanDerWaalsContact C-N 3.33Å |
| 747 | G | 93.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 60 Ų | 60 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | trans | 84.7 | -169.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q745 | Q745-G747 PolarHBondContact O-N 2.89Š| ||
| 748 | P | 96.3 | Very high | 93 | Very high | 30 Ų | 30 | 61 Ų | 61 | 20% | 0.195 | 37% | 0.372 | C | S | . | . | trans | -71.3 | 144.9 | -177.4 | 29.4 | -36.1 | 0 | 0 | 0 | 112.7 | T817 L821 I981 | P748-T817 HydrophobicContact CG-CG2 3.87Å; P748-L821 HydrophobicContact CG-CD1 4.32Å; P748-I981 HydrophobicContact CG-CG1 4.18Å; P748-I981 WeakPolarHBondContact O-CD1 3.27Å | ||
| 749 | T | 94.2 | Very high | 92.9 | Very high | 123 Ų | 123 | 58.4 Ų | 58.4 | 76% | 0.755 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -97.2 | -13.8 | 174.3 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 750 | V | 94.1 | Very high | 92.9 | Very high | 111 Ų | 111 | 60.6 Ų | 60.6 | 67% | 0.673 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -128.4 | 134 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 109 | ||
| 751 | G | 91.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 24% | 0.237 | 35% | 0.351 | C | S | . | . | trans | -72 | 161.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 752 | T | 94.3 | Very high | 92.9 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 31% | 0.307 | 35% | 0.354 | S | S | . | . | trans | -106.5 | 13.7 | -177.7 | 62.9 | 0 | 0 | 0 | 0 | 114 | G754 T755 F756 E818 Y974 | T752-G754 PolarHBondContact O-N 3.36Å; T752-G754 VanDerWaalsContact O-N 3.1Å; T752-T755 WeakPolarHBondContact O-CB 3.49Å; T752-T755 PolarHBondContact O-N 2.86Å; T752-F756 WeakPolarHBondContact O-CD1 3.49Å; T752-F756 PolarHBondContact O-N 3.14Å; T752-E818 PolarHBondContact N-OE1 3.22Å; T752-E818 VanDerWaalsContact N-OE1 3.09Å; T752-E818 PolarHBondContact N-OE2 2.86Å; T752-E818 VanDerWaalsContact OG1-CD 3.27Å; T752-E818 PolarHBondContact OG1-OE1 2.92Å; T752-Y974 PolarHBondContact OG1-OH 3.34Å; T752-Y974 VanDerWaalsContact OG1-OH 3.05Å | ||
| 753 | V | 90.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -42.7 | -47.9 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | T755 F756 E757 E818 L831 | V753-T755 PolarHBondContact O-N 3.29Å; V753-F756 HydrophobicContact CB-CE1 4.49Å; V753-F756 HydrophobicContact CG2-CE1 4.43Å; V753-F756 PolarHBondContact O-N 3.02Å; V753-E757 HydrophobicContact CG1-CB 4.35Å; V753-E757 WeakPolarHBondContact O-CB 3.32Å; V753-E757 PolarHBondContact O-N 3.08Å; V753-E818 WeakPolarHBondContact CG2-OE2 3.33Å; V753-E818 PolarHBondContact N-OE2 3.33Å; V753-L831 HydrophobicContact CG1-CD2 3.99Å; V753-L831 HydrophobicContact CG1-CG 4.44Å; V753-L831 HydrophobicContact CG2-CD1 3.8Å; V753-L831 HydrophobicContact CG2-CD2 4.07Å; V753-L831 HydrophobicContact CG2-CG 4.36Å |
| 754 | G | 87 | Confident | 92.9 | Very high | 57 Ų | 57 | 56.8 Ų | 56.8 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.4 | -21.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T752 | T752-G754 PolarHBondContact O-N 3.36Å; T752-G754 VanDerWaalsContact O-N 3.1Å |
| 755 | T | 90.9 | Very high | 93.2 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -87 | -60.4 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | T752 V753 E757 L758 M759 Y974 | T752-T755 WeakPolarHBondContact O-CB 3.49Å; T752-T755 PolarHBondContact O-N 2.86Å; V753-T755 PolarHBondContact O-N 3.29Å; T755-E757 PolarHBondContact O-N 2.98Å; T755-L758 PolarHBondContact O-N 2.89Å; T755-M759 HydrophobicContact CG2-CE 4Å; T755-Y974 HydrophobicContact CG2-CD2 4.37Å |
| 756 | F | 91.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81.8 | -14.5 | -172.3 | 81.7 | -85.1 | 0 | 0 | 0 | 113.6 | T752 V753 L758 M759 L764 W814 E818 L831 K834 F835 Y974 | T752-F756 WeakPolarHBondContact O-CD1 3.49Å; T752-F756 PolarHBondContact O-N 3.14Å; V753-F756 HydrophobicContact CB-CE1 4.49Å; V753-F756 HydrophobicContact CG2-CE1 4.43Å; V753-F756 PolarHBondContact O-N 3.02Å; F756-L758 PolarHBondContact O-N 3.12Å; F756-M759 HydrophobicContact CB-SD 4.11Å; F756-M759 WeakPolarHBondContact O-CB 3.26Å; F756-M759 PolarHBondContact O-N 3.38Å; F756-M759 VanDerWaalsContact O-N 3.1Å; F756-L764 HydrophobicContact CB-CD1 4.44Å; F756-L764 HydrophobicContact CB-CD2 4.48Å; F756-L764 HydrophobicContact CD2-CD1 4.01Å; F756-W814 HydrophobicContact CD2-CZ2 4.14Å; F756-W814 HydrophobicContact CE2-CZ2 4.08Å; F756-W814 HydrophobicContact CZ-CZ2 4.42Å; F756-E818 HydrophobicContact CE1-CB 4.47Å; F756-E818 HydrophobicContact CE1-CG 3.92Å; F756-E818 HydrophobicContact CZ-CB 4.4Å; F756-E818 HydrophobicContact CZ-CG 4.19Å; F756-L831 HydrophobicContact CE1-CD2 4.34Å; F756-L831 HydrophobicContact CE2-CD2 4.15Å; F756-L831 HydrophobicContact CZ-CD2 3.52Å; F756-K834 HydrophobicContact CD2-CD 4.11Å; F756-K834 VanDerWaalsContact CD2-CE 3.5Å; F756-K834 HydrophobicContact CE2-CD 3.89Å; F756-K834 WeakPolarHBondContact O-CE 3.5Å; F756-K834 PolarHBondContact O-NZ 2.73Å; F756-F835 HydrophobicContact CE2-CE1 4.34Å; F756-F835 HydrophobicContact CE2-CZ 4.2Å; F756-F835 AromaticContact CZ-CZ 3.95Å; F756-F835 HydrophobicContact CZ-CZ 3.95Å; F756-Y974 HydrophobicContact CB-CD1 4.13Å; F756-Y974 HydrophobicContact CB-CE1 3.56Å; F756-Y974 HydrophobicContact CB-CE2 4.17Å; F756-Y974 HydrophobicContact CD1-CE1 4.41Å; F756-Y974 HydrophobicContact CD1-CE2 4.42Å; F756-Y974 AromaticContact CD1-CZ 3.76Å; F756-Y974 WeakPolarHBondContact CD1-OH 3.35Å; F756-Y974 HydrophobicContact CG-CE1 4.03Å; F756-Y974 AromaticContact CG-CZ 3.84Å; F756-Y974 WeakPolarHBondContact CG-OH 3.3Å |
| 757 | E | 90.8 | Very high | 93.3 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -38.8 | 170.3 | -179.2 | 173.9 | -161.7 | 0 | 0 | 111.5 | V753 T755 M759 K834 | V753-E757 HydrophobicContact CG1-CB 4.35Å; V753-E757 WeakPolarHBondContact O-CB 3.32Å; V753-E757 PolarHBondContact O-N 3.08Å; T755-E757 PolarHBondContact O-N 2.98Å; E757-M759 VanDerWaalsContact C-N 3.28Å; E757-M759 PolarHBondContact O-N 2.78Å; E757-K834 PolarHBondContact O-NZ 2.98Å |
| 758 | L | 90.7 | Very high | 93.5 | Very high | 152 Ų | 152 | 46.1 Ų | 46.1 | 80% | 0.796 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -18.4 | 178.8 | -58 | 175.4 | 0 | 0 | 0 | 113.4 | T755 F756 | T755-L758 PolarHBondContact O-N 2.89Å; F756-L758 PolarHBondContact O-N 3.12Å |
| 759 | M | 93.9 | Very high | 93.5 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -83.9 | 140.1 | 178.1 | -56.5 | 174.5 | 178.7 | 0 | 0 | 110 | T755 F756 E757 L764 K834 V971 Y974 | T755-M759 HydrophobicContact CG2-CE 4Å; F756-M759 HydrophobicContact CB-SD 4.11Å; F756-M759 WeakPolarHBondContact O-CB 3.26Å; F756-M759 PolarHBondContact O-N 3.38Å; F756-M759 VanDerWaalsContact O-N 3.1Å; E757-M759 VanDerWaalsContact C-N 3.28Å; E757-M759 PolarHBondContact O-N 2.78Å; M759-L764 HydrophobicContact CB-CD1 4.1Å; M759-L764 HydrophobicContact CB-CD2 4.27Å; M759-L764 HydrophobicContact CB-CG 3.97Å; M759-L764 HydrophobicContact SD-CD2 3.85Å; M759-K834 PolarHBondContact O-NZ 3.26Å; M759-V971 HydrophobicContact CB-CG2 4.29Å; M759-V971 HydrophobicContact CE-CG2 4.41Å; M759-V971 HydrophobicContact CG-CG2 3.94Å; M759-V971 HydrophobicContact SD-CB 4.18Å; M759-V971 HydrophobicContact SD-CG1 4.1Å; M759-V971 HydrophobicContact SD-CG2 3.9Å; M759-Y974 HydrophobicContact CE-CG 4.36Å; M759-Y974 HydrophobicContact SD-CD1 4.32Å; M759-Y974 HydrophobicContact SD-CG 4.4Å |
| 760 | S | 94.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | trans | -67.6 | 146.9 | 178 | 90 | 0 | 0 | 0 | 0 | 110.9 | K762 D763 L764 | S760-K762 PolarHBondContact O-N 3.17Å; S760-D763 WeakPolarHBondContact CB-OD2 3.22Å; S760-D763 PolarHBondContact O-N 2.92Å; S760-D763 WeakPolarHBondContact OG-CB 3.48Å; S760-D763 PolarHBondContact OG-N 3.34Å; S760-D763 PolarHBondContact OG-OD2 3.18Å; S760-L764 PolarHBondContact O-N 2.68Å; S760-L764 VanDerWaalsContact O-N 3.1Å | ||
| 761 | S | 96.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -31 | 176.5 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | A765 K837 | S761-A765 WeakPolarHBondContact O-CB 3.31Å; S761-A765 PolarHBondContact O-N 3.06Å; S761-A765 VanDerWaalsContact O-N 3.14Å; S761-K837 WeakPolarHBondContact OG-CB 3.22Å |
| 762 | K | 94.7 | Very high | 93.9 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 33% | 0.326 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.3 | -44.8 | 178 | -171.8 | 174.1 | -179 | 172.5 | 0 | 111.5 | S760 L764 A765 Y766 Y845 | S760-K762 PolarHBondContact O-N 3.17Å; K762-L764 PolarHBondContact O-N 3.08Å; K762-A765 PolarHBondContact O-N 3.12Å; K762-Y766 VanDerWaalsContact O-CB 3.23Å; K762-Y766 WeakPolarHBondContact O-CB 3.49Å; K762-Y766 PolarHBondContact O-N 3.38Å; K762-Y845 WeakPolarHBondContact CE-OH 3.39Å; K762-Y845 VanDerWaalsContact CG-OH 3.29Å; K762-Y845 WeakPolarHBondContact CG-OH 3.19Å |
| 763 | D | 93.1 | Very high | 94.1 | Very high | 41 Ų | 41 | 33 Ų | 33 | 22% | 0.219 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 178.5 | -65.1 | -44.4 | 0 | 0 | 0 | 112 | S760 Y766 Q767 H968 V971 | S760-D763 WeakPolarHBondContact CB-OD2 3.22Å; S760-D763 PolarHBondContact O-N 2.92Å; S760-D763 WeakPolarHBondContact OG-CB 3.48Å; S760-D763 PolarHBondContact OG-N 3.34Å; S760-D763 PolarHBondContact OG-OD2 3.18Å; D763-Y766 PolarHBondContact O-N 3.18Å; D763-Q767 WeakPolarHBondContact O-CB 3.33Å; D763-Q767 WeakPolarHBondContact O-CG 3.24Å; D763-Q767 PolarHBondContact O-N 3.06Å; D763-H968 IonicContact OD1-CE1 2.85Å; D763-V971 HydrophobicContact CB-CG1 4.31Å; D763-V971 HydrophobicContact CB-CG2 4.48Å |
| 764 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -52.4 | 173.7 | -75.5 | 166.8 | 0 | 0 | 0 | 110.8 | F756 M759 S760 K762 Y766 Q767 M768 I838 V971 Y974 V975 | F756-L764 HydrophobicContact CB-CD1 4.44Å; F756-L764 HydrophobicContact CB-CD2 4.48Å; F756-L764 HydrophobicContact CD2-CD1 4.01Å; M759-L764 HydrophobicContact CB-CD1 4.1Å; M759-L764 HydrophobicContact CB-CD2 4.27Å; M759-L764 HydrophobicContact CB-CG 3.97Å; M759-L764 HydrophobicContact SD-CD2 3.85Å; S760-L764 PolarHBondContact O-N 2.68Å; S760-L764 VanDerWaalsContact O-N 3.1Å; K762-L764 PolarHBondContact O-N 3.08Å; L764-Y766 VanDerWaalsContact C-N 3.31Å; L764-Y766 PolarHBondContact O-N 3.41Å; L764-Q767 PolarHBondContact O-N 3.4Å; L764-M768 WeakPolarHBondContact O-CB 3.09Å; L764-M768 WeakPolarHBondContact O-CG 3.29Å; L764-M768 PolarHBondContact O-N 3.42Å; L764-I838 HydrophobicContact CB-CD1 4.37Å; L764-I838 HydrophobicContact CB-CG1 4.36Å; L764-I838 HydrophobicContact CD1-CD1 3.75Å; L764-I838 HydrophobicContact CD1-CG1 4.36Å; L764-V971 HydrophobicContact CD2-CG1 3.97Å; L764-V971 HydrophobicContact CG-CG1 4.37Å; L764-Y974 HydrophobicContact CD2-CD1 4.03Å; L764-Y974 HydrophobicContact CD2-CE1 4.26Å; L764-V975 HydrophobicContact CD2-CG2 3.92Å |
| 765 | A | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S761 K762 T769 I838 H841 Y845 | S761-A765 WeakPolarHBondContact O-CB 3.31Å; S761-A765 PolarHBondContact O-N 3.06Å; S761-A765 VanDerWaalsContact O-N 3.14Å; K762-A765 PolarHBondContact O-N 3.12Å; A765-T769 WeakPolarHBondContact O-CB 3.49Å; A765-T769 PolarHBondContact O-N 3.11Å; A765-T769 PolarHBondContact O-OG1 2.88Å; A765-I838 HydrophobicContact CB-CG2 4.18Å; A765-H841 HydrophobicContact CB-CB 3.46Å; A765-H841 VanDerWaalsContact CB-CB 3.46Å; A765-Y845 HydrophobicContact CB-CD2 4.29Å; A765-Y845 HydrophobicContact CB-CE2 4.18Å |
| 766 | Y | 94.7 | Very high | 95.1 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 15% | 0.153 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.1 | -51.8 | 176.5 | 177.5 | -91.1 | 0 | 0 | 0 | 111.9 | K762 D763 L764 M768 T769 I770 Y845 P959 | K762-Y766 VanDerWaalsContact O-CB 3.23Å; K762-Y766 WeakPolarHBondContact O-CB 3.49Å; K762-Y766 PolarHBondContact O-N 3.38Å; D763-Y766 PolarHBondContact O-N 3.18Å; L764-Y766 VanDerWaalsContact C-N 3.31Å; L764-Y766 PolarHBondContact O-N 3.41Å; Y766-M768 VanDerWaalsContact C-N 3.31Å; Y766-M768 PolarHBondContact O-N 3.18Å; Y766-T769 PolarHBondContact O-N 2.89Å; Y766-T769 VanDerWaalsContact O-N 3.13Å; Y766-I770 HydrophobicContact CD1-CD1 3.81Å; Y766-I770 HydrophobicContact CD1-CG1 4.5Å; Y766-I770 HydrophobicContact CE1-CD1 3.15Å; Y766-I770 HydrophobicContact CE1-CG1 4.18Å; Y766-I770 HydrophobicContact CE2-CD1 4.46Å; Y766-I770 PolarHBondContact O-N 3.36Å; Y766-Y845 HydrophobicContact CD2-CE1 4.35Å; Y766-P959 HydrophobicContact CD2-CB 4.39Å; Y766-P959 HydrophobicContact CD2-CG 3.92Å; Y766-P959 HydrophobicContact CE2-CB 3.84Å; Y766-P959 HydrophobicContact CE2-CG 3.14Å |
| 767 | Q | 93.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | 179.2 | -70.7 | -60.6 | -38.1 | 0 | 0 | 111.9 | D763 L764 Y771 V971 V975 | D763-Q767 WeakPolarHBondContact O-CB 3.33Å; D763-Q767 WeakPolarHBondContact O-CG 3.24Å; D763-Q767 PolarHBondContact O-N 3.06Å; L764-Q767 PolarHBondContact O-N 3.4Å; Q767-Y771 WeakPolarHBondContact O-CB 3.44Å; Q767-Y771 PolarHBondContact O-N 3.39Å; Q767-Y771 VanDerWaalsContact O-N 3.11Å; Q767-V971 HydrophobicContact CB-CG1 4.14Å; Q767-V971 HydrophobicContact CG-CB 4.17Å; Q767-V971 HydrophobicContact CG-CG1 3.81Å; Q767-V975 HydrophobicContact CB-CB 4.39Å; Q767-V975 HydrophobicContact CB-CG1 4.49Å; Q767-V975 HydrophobicContact CB-CG2 4.16Å |
| 768 | M | 96.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 170.4 | -74.1 | 174.7 | 77.8 | 0 | 0 | 110.2 | L764 Y766 I770 Y771 D772 I811 W814 I838 I854 V975 | L764-M768 WeakPolarHBondContact O-CB 3.09Å; L764-M768 WeakPolarHBondContact O-CG 3.29Å; L764-M768 PolarHBondContact O-N 3.42Å; Y766-M768 VanDerWaalsContact C-N 3.31Å; Y766-M768 PolarHBondContact O-N 3.18Å; M768-I770 PolarHBondContact O-N 3.1Å; M768-Y771 PolarHBondContact O-N 2.96Å; M768-Y771 VanDerWaalsContact O-N 3.14Å; M768-D772 WeakPolarHBondContact O-CB 3.5Å; M768-D772 PolarHBondContact O-N 3.13Å; M768-D772 VanDerWaalsContact O-OD2 3.09Å; M768-I811 HydrophobicContact CE-CB 4.43Å; M768-I811 HydrophobicContact CE-CD1 3.67Å; M768-I811 HydrophobicContact CE-CG1 3.87Å; M768-I811 HydrophobicContact CE-CG2 3.68Å; M768-W814 HydrophobicContact CE-CZ3 4.21Å; M768-W814 HydrophobicContact SD-CZ3 4.17Å; M768-I838 HydrophobicContact SD-CG2 3.98Å; M768-I854 HydrophobicContact CE-CD1 4.26Å; M768-V975 HydrophobicContact CB-CG1 4.16Å; M768-V975 HydrophobicContact CG-CB 4.47Å; M768-V975 HydrophobicContact CG-CG1 3.51Å; M768-V975 HydrophobicContact CG-CG2 4.08Å |
| 769 | T | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | -177.6 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | A765 Y766 D772 W773 N847 F957 | A765-T769 WeakPolarHBondContact O-CB 3.49Å; A765-T769 PolarHBondContact O-N 3.11Å; A765-T769 PolarHBondContact O-OG1 2.88Å; Y766-T769 PolarHBondContact O-N 2.89Å; Y766-T769 VanDerWaalsContact O-N 3.13Å; T769-D772 PolarHBondContact O-N 2.76Å; T769-W773 WeakPolarHBondContact O-CB 3.35Å; T769-W773 PolarHBondContact O-N 2.84Å; T769-N847 WeakPolarHBondContact CA-ND2 3.43Å; T769-N847 HydrophobicContact CG2-CB 3.81Å; T769-N847 PolarHBondContact OG1-ND2 2.88Å; T769-N847 VanDerWaalsContact OG1-ND2 3.13Å; T769-F957 HydrophobicContact CG2-CD1 4.41Å; T769-F957 HydrophobicContact CG2-CD2 4.49Å; T769-F957 HydrophobicContact CG2-CE1 3.8Å; T769-F957 HydrophobicContact CG2-CE2 3.9Å; T769-F957 HydrophobicContact CG2-CZ 3.52Å |
| 770 | I | 94.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 22.8 Ų | 22.8 | 21% | 0.205 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 172.9 | -70.2 | 179.2 | 0 | 0 | 0 | 110.9 | Y766 M768 D772 W773 E774 F957 | Y766-I770 HydrophobicContact CD1-CD1 3.81Å; Y766-I770 HydrophobicContact CD1-CG1 4.5Å; Y766-I770 HydrophobicContact CE1-CD1 3.15Å; Y766-I770 HydrophobicContact CE1-CG1 4.18Å; Y766-I770 HydrophobicContact CE2-CD1 4.46Å; Y766-I770 PolarHBondContact O-N 3.36Å; M768-I770 PolarHBondContact O-N 3.1Å; I770-D772 VanDerWaalsContact C-N 3.34Å; I770-D772 PolarHBondContact O-N 3.33Å; I770-W773 PolarHBondContact O-N 3.05Å; I770-E774 WeakPolarHBondContact O-CG 3.47Å; I770-E774 PolarHBondContact O-N 2.99Å; I770-F957 HydrophobicContact CG1-CD1 4.49Å; I770-F957 HydrophobicContact CG1-CE1 4.15Å |
| 771 | Y | 95.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -39.3 | -178.3 | -177.9 | -128.2 | 0 | 0 | 0 | 112.1 | R649 Q767 M768 E774 L775 R976 | R649-Y771 HydrophobicContact CG-CE2 3.94Å; R649-Y771 PolarHBondContact NE-OH 3.31Å; R649-Y771 PolarHBondContact NH2-OH 3.35Å; Q767-Y771 WeakPolarHBondContact O-CB 3.44Å; Q767-Y771 PolarHBondContact O-N 3.39Å; Q767-Y771 VanDerWaalsContact O-N 3.11Å; M768-Y771 PolarHBondContact O-N 2.96Å; M768-Y771 VanDerWaalsContact O-N 3.14Å; Y771-E774 WeakPolarHBondContact O-CB 3.45Å; Y771-E774 PolarHBondContact O-N 3.08Å; Y771-L775 HydrophobicContact CD1-CD1 4.21Å; Y771-L775 HydrophobicContact CE1-CD1 3.82Å; Y771-L775 HydrophobicContact CE2-CD1 4.31Å; Y771-L775 HydrophobicContact CE2-CG 4.29Å; Y771-L775 WeakPolarHBondContact O-CG 3.45Å; Y771-L775 PolarHBondContact O-N 3.14Å; Y771-L775 VanDerWaalsContact O-N 3.07Å; Y771-R976 HydrophobicContact CD1-CG 4.12Å; Y771-R976 HydrophobicContact CD2-CG 3.74Å; Y771-R976 HydrophobicContact CE1-CG 4.4Å; Y771-R976 HydrophobicContact CE2-CG 4.04Å; Y771-R976 HydrophobicContact CG-CG 3.78Å |
| 772 | D | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.7 | -37.5 | 176.2 | -60.4 | -28.3 | 0 | 0 | 0 | 111.3 | M768 T769 I770 L775 F776 F804 R807 N847 S850 I909 | M768-D772 WeakPolarHBondContact O-CB 3.5Å; M768-D772 PolarHBondContact O-N 3.13Å; M768-D772 VanDerWaalsContact O-OD2 3.09Å; T769-D772 PolarHBondContact O-N 2.76Å; I770-D772 VanDerWaalsContact C-N 3.34Å; I770-D772 PolarHBondContact O-N 3.33Å; D772-L775 PolarHBondContact O-N 2.93Å; D772-F776 WeakPolarHBondContact O-CB 3.32Å; D772-F776 PolarHBondContact O-N 3.01Å; D772-F804 HydrophobicContact CB-CE2 4.2Å; D772-R807 WeakPolarHBondContact OD1-CG 3.42Å; D772-R807 IonicContact OD1-NE 3.74Å; D772-R807 PolarHBondContact OD1-NE 3.46Å; D772-R807 VanDerWaalsContact OD1-NE 3.13Å; D772-R807 IonicContact OD1-NH2 3.49Å; D772-N847 PolarHBondContact OD2-ND2 3.24Å; D772-S850 WeakPolarHBondContact OD2-CB 3.24Å; D772-S850 PolarHBondContact OD2-OG 3.28Å; D772-I909 HydrophobicContact CB-CD1 3.72Å |
| 773 | W | 97.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 5% | 0.045 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 172.3 | -93.4 | 109.9 | 0 | 0 | 0 | 112.8 | T769 I770 F776 N777 P907 I909 R953 F957 | T769-W773 WeakPolarHBondContact O-CB 3.35Å; T769-W773 PolarHBondContact O-N 2.84Å; I770-W773 PolarHBondContact O-N 3.05Å; W773-F776 HydrophobicContact CE3-CD1 4.16Å; W773-F776 AromaticContact CZ3-CD1 3.98Å; W773-F776 HydrophobicContact CZ3-CD1 3.98Å; W773-F776 HydrophobicContact CZ3-CE1 4.36Å; W773-F776 PolarHBondContact O-N 3.39Å; W773-N777 VanDerWaalsContact O-CB 3.29Å; W773-N777 WeakPolarHBondContact O-CB 3.03Å; W773-N777 VanDerWaalsContact O-CG 3.26Å; W773-N777 PolarHBondContact O-N 2.67Å; W773-N777 PolarHBondContact O-ND2 3.17Å; W773-P907 HydrophobicContact CH2-CB 3.8Å; W773-P907 HydrophobicContact CZ2-CB 3.49Å; W773-P907 VanDerWaalsContact CZ2-CB 3.49Å; W773-I909 HydrophobicContact CB-CD1 4.5Å; W773-I909 HydrophobicContact CD2-CD1 4.11Å; W773-I909 HydrophobicContact CD2-CG1 4.06Å; W773-I909 HydrophobicContact CG-CD1 3.88Å; W773-I909 HydrophobicContact CG-CG1 4.35Å; W773-I909 HydrophobicContact CZ2-CG1 3.92Å; W773-R953 HydrophobicContact CH2-CB 4.22Å; W773-R953 HydrophobicContact CZ3-CB 3.74Å; W773-F957 AromaticContact CD1-CD1 3.62Å; W773-F957 AromaticContact CD1-CD2 3.98Å; W773-F957 AromaticContact CD1-CG 3.44Å; W773-F957 VanDerWaalsContact CD1-CG 3.44Å; W773-F957 HydrophobicContact CD2-CB 3.93Å; W773-F957 HydrophobicContact CG-CB 3.93Å; W773-F957 HydrophobicContact CG-CD1 4.44Å; W773-F957 HydrophobicContact CG-CG 4.26Å; W773-F957 HydrophobicContact CZ2-CB 4.3Å; W773-F957 AromaticContact NE1-CD1 3.99Å; W773-F957 AromaticContact NE1-CD2 3.48Å; W773-F957 AromaticContact NE1-CG 3.33Å; W773-F957 VanDerWaalsContact NE1-CG 3.33Å |
| 774 | E | 95.3 | Very high | 96.7 | Very high | 24 Ų | 24 | 15.2 Ų | 15.2 | 11% | 0.112 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.3 | -71.8 | 177 | -162.1 | 0 | 0 | 111.2 | K648 R649 I770 Y771 C778 R976 | K648-E774 WeakPolarHBondContact CA-OE2 3.39Å; K648-E774 HydrophobicContact CG-CG 4.17Å; R649-E774 HydrophobicContact CB-CB 4.06Å; R649-E774 HydrophobicContact CG-CB 4.32Å; R649-E774 PolarHBondContact N-OE2 2.99Å; I770-E774 WeakPolarHBondContact O-CG 3.47Å; I770-E774 PolarHBondContact O-N 2.99Å; Y771-E774 WeakPolarHBondContact O-CB 3.45Å; Y771-E774 PolarHBondContact O-N 3.08Å; E774-C778 PolarHBondContact O-N 3.49Å; E774-C778 PolarHBondContact O-SG 3.28Å; E774-R976 VanDerWaalsContact CD-NH2 3.32Å; E774-R976 IonicContact OE1-CZ 2.7Å; E774-R976 IonicContact OE1-NH1 3.88Å; E774-R976 PolarHBondContact OE1-NH1 3.17Å; E774-R976 IonicContact OE1-NH2 3.66Å; E774-R976 PolarHBondContact OE1-NH2 3.17Å; E774-R976 IonicContact OE2-CZ 3.52Å; E774-R976 IonicContact OE2-NH1 3.82Å; E774-R976 PolarHBondContact OE2-NH1 3.43Å; E774-R976 IonicContact OE2-NH2 2.74Å; E774-R976 PolarHBondContact OE2-NH2 3.27Å |
| 775 | L | 95.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 6% | 0.058 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 176.8 | -69.2 | 170.4 | 0 | 0 | 0 | 111.8 | R649 Y771 D772 N777 C778 F804 R807 | R649-L775 HydrophobicContact CG-CD2 4.02Å; Y771-L775 HydrophobicContact CD1-CD1 4.21Å; Y771-L775 HydrophobicContact CE1-CD1 3.82Å; Y771-L775 HydrophobicContact CE2-CD1 4.31Å; Y771-L775 HydrophobicContact CE2-CG 4.29Å; Y771-L775 WeakPolarHBondContact O-CG 3.45Å; Y771-L775 PolarHBondContact O-N 3.14Å; Y771-L775 VanDerWaalsContact O-N 3.07Å; D772-L775 PolarHBondContact O-N 2.93Å; L775-N777 PolarHBondContact O-N 3.39Å; L775-C778 WeakPolarHBondContact O-CB 3.47Å; L775-C778 PolarHBondContact O-N 3.49Å; L775-C778 VanDerWaalsContact O-N 3.15Å; L775-F804 HydrophobicContact CB-CB 4.36Å; L775-F804 HydrophobicContact CB-CD2 3.62Å; L775-F804 HydrophobicContact CB-CE2 4.3Å; L775-F804 HydrophobicContact CB-CG 4.27Å; L775-F804 HydrophobicContact CD1-CD2 4.34Å; L775-R807 HydrophobicContact CD1-CB 3.98Å; L775-R807 HydrophobicContact CD1-CG 3.84Å |
| 776 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | -178.7 | -174.8 | -139.5 | 0 | 0 | 0 | 112.6 | D772 W773 C778 V779 F804 I909 P910 M912 V949 R953 | D772-F776 WeakPolarHBondContact O-CB 3.32Å; D772-F776 PolarHBondContact O-N 3.01Å; W773-F776 HydrophobicContact CE3-CD1 4.16Å; W773-F776 AromaticContact CZ3-CD1 3.98Å; W773-F776 HydrophobicContact CZ3-CD1 3.98Å; W773-F776 HydrophobicContact CZ3-CE1 4.36Å; W773-F776 PolarHBondContact O-N 3.39Å; F776-C778 VanDerWaalsContact C-N 3.27Å; F776-C778 PolarHBondContact O-N 2.89Å; F776-V779 WeakPolarHBondContact O-CB 3.46Å; F776-V779 PolarHBondContact O-N 3Å; F776-F804 HydrophobicContact CB-CD1 4.39Å; F776-F804 HydrophobicContact CB-CE1 3.8Å; F776-F804 HydrophobicContact CB-CE2 4.19Å; F776-F804 HydrophobicContact CB-CZ 3.72Å; F776-F804 AromaticContact CD2-CD1 3.97Å; F776-F804 HydrophobicContact CD2-CD1 3.97Å; F776-F804 AromaticContact CD2-CE1 3.36Å; F776-F804 HydrophobicContact CD2-CE1 3.36Å; F776-F804 HydrophobicContact CD2-CZ 4.06Å; F776-F804 HydrophobicContact CE2-CE1 4.15Å; F776-F804 AromaticContact CG-CE1 3.84Å; F776-F804 HydrophobicContact CG-CE1 3.84Å; F776-F804 HydrophobicContact CG-CZ 4.08Å; F776-I909 HydrophobicContact CD1-CG1 4.24Å; F776-I909 HydrophobicContact CD1-CG2 4.4Å; F776-P910 HydrophobicContact CZ-CG 4.21Å; F776-M912 HydrophobicContact CD2-SD 4.41Å; F776-M912 HydrophobicContact CE2-CE 4.46Å; F776-M912 HydrophobicContact CE2-SD 3.83Å; F776-V949 HydrophobicContact CE2-CG1 3.7Å; F776-V949 HydrophobicContact CZ-CG1 3.71Å; F776-R953 HydrophobicContact CE1-CB 4.15Å |
| 777 | N | 96.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 15.3 Ų | 15.3 | 46% | 0.46 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -72.5 | -19.3 | 176.3 | -72.8 | -25 | 0 | 0 | 0 | 113.2 | W773 L775 V779 | W773-N777 VanDerWaalsContact O-CB 3.29Å; W773-N777 WeakPolarHBondContact O-CB 3.03Å; W773-N777 VanDerWaalsContact O-CG 3.26Å; W773-N777 PolarHBondContact O-N 2.67Å; W773-N777 PolarHBondContact O-ND2 3.17Å; L775-N777 PolarHBondContact O-N 3.39Å; N777-V779 VanDerWaalsContact C-N 3.27Å |
| 778 | C | 96.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 7% | 0.074 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.4 | -20.8 | 171.6 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | P651 E774 L775 F776 H780 N800 | P651-C778 HydrophobicContact CB-CB 4.47Å; P651-C778 HydrophobicContact CG-CB 4.45Å; E774-C778 PolarHBondContact O-N 3.49Å; E774-C778 PolarHBondContact O-SG 3.28Å; L775-C778 WeakPolarHBondContact O-CB 3.47Å; L775-C778 PolarHBondContact O-N 3.49Å; L775-C778 VanDerWaalsContact O-N 3.15Å; F776-C778 VanDerWaalsContact C-N 3.27Å; F776-C778 PolarHBondContact O-N 2.89Å; C778-H780 PolarHBondContact O-N 3.39Å; C778-N800 HydrophobicContact CB-CB 4.07Å; C778-N800 WeakPolarHBondContact O-CB 3.31Å; C778-N800 VanDerWaalsContact O-CG 3.26Å; C778-N800 PolarHBondContact O-ND2 2.91Å |
| 779 | V | 97.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.024 | 8% | 0.08 | C | C | . | . | trans | -73.5 | 117.1 | -179.7 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | F776 N777 E783 N800 L801 F804 R953 | F776-V779 WeakPolarHBondContact O-CB 3.46Å; F776-V779 PolarHBondContact O-N 3Å; N777-V779 VanDerWaalsContact C-N 3.27Å; V779-E783 HydrophobicContact CG1-CB 4.36Å; V779-N800 HydrophobicContact CG2-CB 4.2Å; V779-L801 HydrophobicContact CG1-CB 4.03Å; V779-L801 HydrophobicContact CG1-CD1 4.18Å; V779-F804 HydrophobicContact CG2-CB 4.2Å; V779-F804 HydrophobicContact CG2-CD1 4.35Å; V779-R953 PolarHBondContact O-NH1 3.2Å | ||
| 780 | H | 97.6 | Very high | 96.7 | Very high | 47 Ų | 47 | 17 Ų | 17 | 22% | 0.218 | 9% | 0.089 | C | C | . | . | trans | -76.9 | 148.8 | 170.9 | -163.9 | -86 | 0 | 0 | 0 | 111.2 | M575 L579 C778 L782 E783 | M575-H780 PolarHBondContact O-CE1 3.28Å; M575-H780 PolarHBondContact O-NE2 3.36Å; M575-H780 VanDerWaalsContact O-NE2 3.12Å; L579-H780 HydrophobicContact CD1-CB 4.07Å; L579-H780 VanDerWaalsContact CD1-CG 3.45Å; L579-H780 VanDerWaalsContact CD1-ND1 3.35Å; L579-H780 WeakPolarHBondContact CD1-ND1 3.35Å; C778-H780 PolarHBondContact O-N 3.39Å; H780-L782 VanDerWaalsContact C-N 3.28Å; H780-L782 PolarHBondContact ND1-N 3.22Å; H780-L782 PolarHBondContact O-N 3.49Å; H780-E783 HydrophobicContact CB-CG 4.14Å; H780-E783 PolarHBondContact N-OE1 2.97Å; H780-E783 WeakPolarHBondContact O-CB 3.49Å; H780-E783 PolarHBondContact O-N 3.44Å | ||
| 781 | E | 97.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 7% | 0.065 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | -177.3 | -60.3 | -178.4 | -162.9 | 0 | 0 | 112 | M523 E783 L784 R950 R953 | M523-E781 WeakPolarHBondContact CE-OE2 3.49Å; E781-E783 PolarHBondContact O-N 3.01Å; E781-L784 VanDerWaalsContact O-CB 3.31Å; E781-L784 WeakPolarHBondContact O-CB 3.33Å; E781-L784 PolarHBondContact O-N 3.35Å; E781-L784 VanDerWaalsContact O-N 3.12Å; E781-R950 WeakPolarHBondContact OE1-CB 3.38Å; E781-R950 WeakPolarHBondContact OE1-CG 3.47Å; E781-R950 IonicContact OE1-CZ 2.72Å; E781-R950 IonicContact OE1-NE 3.54Å; E781-R950 PolarHBondContact OE1-NE 3.14Å; E781-R950 IonicContact OE1-NH2 3.13Å; E781-R950 IonicContact OE2-CZ 3.1Å; E781-R950 VanDerWaalsContact OE2-CZ 3.25Å; E781-R950 IonicContact OE2-NE 3.48Å; E781-R950 PolarHBondContact OE2-NE 3.28Å; E781-R950 IonicContact OE2-NH2 3.99Å; E781-R950 PolarHBondContact OE2-NH2 3.31Å; E781-R953 IonicContact OE1-NH2 2.7Å; E781-R953 PolarHBondContact OE1-NH2 3.44Å |
| 782 | L | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -23.6 | 175 | -61.2 | 176.6 | 0 | 0 | 0 | 113.6 | M523 M575 Y576 L579 H780 L784 I785 Y786 | M523-L782 HydrophobicContact CG-CD2 4.35Å; M575-L782 HydrophobicContact CG-CD2 4.46Å; Y576-L782 HydrophobicContact CD1-CD1 3.84Å; Y576-L782 HydrophobicContact CD2-CD1 4.37Å; Y576-L782 HydrophobicContact CE1-CD1 3.78Å; Y576-L782 HydrophobicContact CE2-CD1 4.31Å; Y576-L782 HydrophobicContact CG-CD1 4.14Å; L579-L782 HydrophobicContact CD1-CD1 4.22Å; H780-L782 VanDerWaalsContact C-N 3.28Å; H780-L782 PolarHBondContact ND1-N 3.22Å; H780-L782 PolarHBondContact O-N 3.49Å; L782-L784 PolarHBondContact O-N 2.96Å; L782-I785 HydrophobicContact CD2-CG1 4.45Å; L782-I785 WeakPolarHBondContact O-CB 3.35Å; L782-I785 PolarHBondContact O-N 3.44Å; L782-I785 VanDerWaalsContact O-N 3.08Å; L782-Y786 HydrophobicContact CB-CE1 4.33Å; L782-Y786 HydrophobicContact CB-CE2 3.83Å; L782-Y786 VanDerWaalsContact O-CD2 3.27Å; L782-Y786 WeakPolarHBondContact O-CD2 3.35Å; L782-Y786 PolarHBondContact O-N 2.98Å |
| 783 | E | 98.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -33.5 | 174.5 | -68.4 | -179.1 | -119.2 | 0 | 0 | 111.5 | V779 H780 E781 I785 H787 T798 N800 L801 | V779-E783 HydrophobicContact CG1-CB 4.36Å; H780-E783 HydrophobicContact CB-CG 4.14Å; H780-E783 PolarHBondContact N-OE1 2.97Å; H780-E783 WeakPolarHBondContact O-CB 3.49Å; H780-E783 PolarHBondContact O-N 3.44Å; E781-E783 PolarHBondContact O-N 3.01Å; E783-I785 VanDerWaalsContact C-N 3.29Å; E783-I785 PolarHBondContact O-N 2.93Å; E783-H787 WeakPolarHBondContact O-CB 3.5Å; E783-H787 PolarHBondContact O-N 3.19Å; E783-T798 HydrophobicContact CB-CG2 4.1Å; E783-T798 HydrophobicContact CG-CG2 4.47Å; E783-T798 WeakPolarHBondContact O-CG2 3.26Å; E783-T798 VanDerWaalsContact OE2-CA 3.22Å; E783-T798 WeakPolarHBondContact OE2-CA 3.49Å; E783-N800 WeakPolarHBondContact OE1-CB 3.38Å; E783-N800 PolarHBondContact OE1-ND2 2.84Å; E783-N800 WeakPolarHBondContact OE2-CB 3.37Å; E783-N800 PolarHBondContact OE2-N 3.39Å; E783-N800 VanDerWaalsContact OE2-N 3.14Å; E783-L801 HydrophobicContact CB-CB 4.21Å; E783-L801 PolarHBondContact OE2-N 3.45Å |
| 784 | L | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | 174.5 | -58.7 | 167.6 | 0 | 0 | 0 | 110.8 | E781 L782 T788 L801 M912 L915 I916 M919 A946 V949 | E781-L784 VanDerWaalsContact O-CB 3.31Å; E781-L784 WeakPolarHBondContact O-CB 3.33Å; E781-L784 PolarHBondContact O-N 3.35Å; E781-L784 VanDerWaalsContact O-N 3.12Å; L782-L784 PolarHBondContact O-N 2.96Å; L784-T788 WeakPolarHBondContact O-CB 3.32Å; L784-T788 PolarHBondContact O-N 3.36Å; L784-T788 VanDerWaalsContact O-N 3.09Å; L784-T788 PolarHBondContact O-OG1 2.66Å; L784-L801 HydrophobicContact CD2-CD1 3.83Å; L784-L801 HydrophobicContact CD2-CD2 4.01Å; L784-M912 HydrophobicContact CD2-CE 4.33Å; L784-L915 HydrophobicContact CD2-CD2 4.42Å; L784-I916 HydrophobicContact CD2-CD1 3.83Å; L784-M919 HydrophobicContact CB-CE 3.73Å; L784-M919 HydrophobicContact CB-SD 3.85Å; L784-M919 HydrophobicContact CD2-SD 4.43Å; L784-A946 HydrophobicContact CD1-CB 4.21Å; L784-V949 HydrophobicContact CD1-CB 4.24Å; L784-V949 HydrophobicContact CD1-CG1 4.43Å; L784-V949 HydrophobicContact CD1-CG2 3.89Å |
| 785 | I | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.8 | -50.3 | 178.2 | -49.3 | -52.5 | 0 | 0 | 0 | 110.3 | M523 M524 V527 L782 E783 H787 T788 F789 M919 I942 A946 | M523-I785 HydrophobicContact CG-CD1 4.43Å; M523-I785 HydrophobicContact CG-CG1 4.33Å; M523-I785 HydrophobicContact SD-CD1 4.48Å; M524-I785 HydrophobicContact CE-CD1 4.22Å; M524-I785 HydrophobicContact CE-CG2 4.13Å; M524-I785 HydrophobicContact SD-CD1 3.6Å; M524-I785 HydrophobicContact SD-CG1 4.24Å; M524-I785 HydrophobicContact SD-CG2 4.39Å; V527-I785 HydrophobicContact CG2-CG2 3.91Å; L782-I785 HydrophobicContact CD2-CG1 4.45Å; L782-I785 WeakPolarHBondContact O-CB 3.35Å; L782-I785 PolarHBondContact O-N 3.44Å; L782-I785 VanDerWaalsContact O-N 3.08Å; E783-I785 VanDerWaalsContact C-N 3.29Å; E783-I785 PolarHBondContact O-N 2.93Å; I785-H787 VanDerWaalsContact C-N 3.29Å; I785-H787 PolarHBondContact O-N 3.29Å; I785-T788 PolarHBondContact O-N 3.26Å; I785-T788 VanDerWaalsContact O-N 3.15Å; I785-F789 HydrophobicContact CG2-CD2 4.02Å; I785-F789 HydrophobicContact CG2-CE2 4.36Å; I785-F789 PolarHBondContact O-N 3.41Å; I785-M919 HydrophobicContact CD1-CE 4.04Å; I785-I942 HydrophobicContact CD1-CG2 3.83Å; I785-A946 HydrophobicContact CD1-CB 4.45Å |
| 786 | Y | 97.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 178.9 | -54.9 | -29.7 | 0 | 0 | 0 | 112.2 | L782 G790 R791 F794 K796 | L782-Y786 HydrophobicContact CB-CE1 4.33Å; L782-Y786 HydrophobicContact CB-CE2 3.83Å; L782-Y786 VanDerWaalsContact O-CD2 3.27Å; L782-Y786 WeakPolarHBondContact O-CD2 3.35Å; L782-Y786 PolarHBondContact O-N 2.98Å; Y786-G790 CarbonylContact O-C 3.54Å; Y786-G790 WeakPolarHBondContact O-CA 3.21Å; Y786-G790 PolarHBondContact O-N 2.92Å; Y786-R791 PolarHBondContact O-N 2.86Å; Y786-F794 HydrophobicContact CD1-CB 3.93Å; Y786-F794 AromaticContact CD1-CD1 3.73Å; Y786-F794 HydrophobicContact CD1-CD1 3.73Å; Y786-F794 AromaticContact CD1-CD2 3.7Å; Y786-F794 HydrophobicContact CD1-CD2 3.7Å; Y786-F794 HydrophobicContact CD1-CE1 4.14Å; Y786-F794 HydrophobicContact CD1-CE2 4.14Å; Y786-F794 AromaticContact CD1-CG 3.48Å; Y786-F794 HydrophobicContact CD1-CG 3.48Å; Y786-F794 VanDerWaalsContact CD1-CG 3.48Å; Y786-F794 HydrophobicContact CD1-CZ 4.34Å; Y786-F794 HydrophobicContact CE1-CB 4.26Å; Y786-F794 AromaticContact CE1-CD1 3.87Å; Y786-F794 HydrophobicContact CE1-CD1 3.87Å; Y786-F794 HydrophobicContact CE1-CE1 4.39Å; Y786-F794 AromaticContact CE1-CG 3.98Å; Y786-F794 HydrophobicContact CE1-CG 3.98Å; Y786-F794 HydrophobicContact CG-CB 4.41Å; Y786-F794 HydrophobicContact CG-CD2 4.25Å; Y786-F794 HydrophobicContact CG-CG 4.26Å; Y786-K796 HydrophobicContact CD2-CB 3.67Å; Y786-K796 HydrophobicContact CD2-CG 4.39Å; Y786-K796 HydrophobicContact CE2-CB 3.68Å; Y786-K796 HydrophobicContact CE2-CG 3.95Å; Y786-K796 HydrophobicContact CG-CB 4.25Å |
| 787 | H | 96.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.3 | 179.6 | -79.2 | 0 | 0 | 0 | 111.2 | E783 I785 G790 T798 L801 | E783-H787 WeakPolarHBondContact O-CB 3.5Å; E783-H787 PolarHBondContact O-N 3.19Å; I785-H787 VanDerWaalsContact C-N 3.29Å; I785-H787 PolarHBondContact O-N 3.29Å; H787-G790 PolarHBondContact O-N 3.34Å; H787-T798 HydrophobicContact CB-CG2 4.24Å; H787-L801 HydrophobicContact CB-CD2 3.6Å |
| 788 | T | 95.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | -175.2 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | L784 I785 M919 H923 | L784-T788 WeakPolarHBondContact O-CB 3.32Å; L784-T788 PolarHBondContact O-N 3.36Å; L784-T788 VanDerWaalsContact O-N 3.09Å; L784-T788 PolarHBondContact O-OG1 2.66Å; I785-T788 PolarHBondContact O-N 3.26Å; I785-T788 VanDerWaalsContact O-N 3.15Å; T788-M919 HydrophobicContact CG2-CB 4.01Å; T788-M919 WeakPolarHBondContact CG2-O 3.36Å; T788-M919 WeakPolarHBondContact OG1-CB 3.17Å; T788-M919 WeakPolarHBondContact OG1-CE 3.41Å; T788-H923 HydrophobicContact CG2-CB 3.62Å |
| 789 | F | 95.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -93.5 | 2.6 | -178.8 | -75.2 | -94.8 | 0 | 0 | 0 | 113.7 | M524 V527 I785 N793 F794 H923 M939 I942 | M524-F789 HydrophobicContact CE-CE2 3.84Å; M524-F789 HydrophobicContact CE-CZ 4.23Å; V527-F789 HydrophobicContact CB-CE1 4.43Å; V527-F789 HydrophobicContact CG1-CD1 3.68Å; V527-F789 HydrophobicContact CG1-CE1 3.37Å; V527-F789 HydrophobicContact CG1-CG 4.38Å; V527-F789 HydrophobicContact CG1-CZ 3.83Å; V527-F789 HydrophobicContact CG2-CD1 4.18Å; V527-F789 HydrophobicContact CG2-CD2 3.91Å; V527-F789 HydrophobicContact CG2-CE1 4.14Å; V527-F789 HydrophobicContact CG2-CE2 3.85Å; V527-F789 HydrophobicContact CG2-CG 4.07Å; V527-F789 HydrophobicContact CG2-CZ 3.96Å; I785-F789 HydrophobicContact CG2-CD2 4.02Å; I785-F789 HydrophobicContact CG2-CE2 4.36Å; I785-F789 PolarHBondContact O-N 3.41Å; F789-N793 PolarHBondContact O-ND2 2.89Å; F789-F794 HydrophobicContact CB-CE2 3.61Å; F789-F794 HydrophobicContact CB-CZ 3.72Å; F789-H923 AromaticContact CD1-CE1 3.29Å; F789-H923 WeakPolarHBondContact CD1-CE1 3.4Å; F789-H923 AromaticContact CD1-ND1 3.4Å; F789-H923 WeakPolarHBondContact CD1-ND1 3.24Å; F789-H923 AromaticContact CE1-CE1 3.49Å; F789-H923 VanDerWaalsContact CE1-CE1 3.49Å; F789-H923 WeakPolarHBondContact CE1-CE1 3.23Å; F789-H923 AromaticContact CE1-ND1 3.24Å; F789-H923 WeakPolarHBondContact CE1-ND1 3.24Å; F789-H923 AromaticContact CG-ND1 3.95Å; F789-H923 AromaticContact CZ-ND1 3.68Å; F789-M939 HydrophobicContact CZ-CE 4.34Å; F789-M939 HydrophobicContact CZ-SD 4.41Å; F789-I942 HydrophobicContact CE2-CD1 3.46Å; F789-I942 VanDerWaalsContact CE2-CD1 3.46Å; F789-I942 HydrophobicContact CE2-CG2 4.34Å; F789-I942 HydrophobicContact CZ-CD1 3.46Å; F789-I942 VanDerWaalsContact CZ-CD1 3.46Å |
| 790 | G | 92.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 18% | 0.175 | 15% | 0.153 | C | C | . | . | trans | 88.7 | 114.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y786 H787 H792 N793 F794 | Y786-G790 CarbonylContact O-C 3.54Å; Y786-G790 WeakPolarHBondContact O-CA 3.21Å; Y786-G790 PolarHBondContact O-N 2.92Å; H787-G790 PolarHBondContact O-N 3.34Å; G790-H792 PolarHBondContact O-N 2.88Å; G790-H792 VanDerWaalsContact O-N 3.12Å; G790-N793 WeakPolarHBondContact O-CB 3.03Å; G790-N793 PolarHBondContact O-N 3.22Å; G790-F794 WeakPolarHBondContact O-CD2 3.4Å | ||
| 791 | R | 92.7 | Very high | 95.3 | Very high | 49 Ų | 49 | 30 Ų | 30 | 19% | 0.185 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.7 | -37.7 | -178 | -68.8 | 176.3 | -89.4 | -110.6 | 6.2 | 114.8 | V716 Y786 N793 F794 K795 T798 D802 | V716-R791 HydrophobicContact CG2-CB 3.98Å; Y786-R791 PolarHBondContact O-N 2.86Å; R791-N793 PolarHBondContact O-N 3.48Å; R791-F794 PolarHBondContact O-N 2.97Å; R791-F794 VanDerWaalsContact O-N 3.13Å; R791-K795 PolarHBondContact O-N 3.5Å; R791-T798 WeakPolarHBondContact CD-OG1 3.43Å; R791-T798 HydrophobicContact CG-CG2 3.75Å; R791-T798 PolarHBondContact NH1-OG1 3.11Å; R791-D802 IonicContact CZ-OD1 3.84Å; R791-D802 IonicContact NH1-OD1 2.69Å; R791-D802 PolarHBondContact NH1-OD1 2.92Å; R791-D802 IonicContact NH1-OD2 3.54Å |
| 792 | H | 89.4 | Confident | 95.2 | Very high | 97 Ų | 97 | 29.9 Ų | 29.9 | 45% | 0.449 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62 | -28.4 | -178.4 | 59.3 | -88.8 | 0 | 0 | 0 | 112.8 | G790 F794 | G790-H792 PolarHBondContact O-N 2.88Å; G790-H792 VanDerWaalsContact O-N 3.12Å; H792-F794 VanDerWaalsContact C-N 3.28Å; H792-F794 PolarHBondContact O-N 3.46Å |
| 793 | N | 93.1 | Very high | 95.1 | Very high | 106 Ų | 106 | 31.5 Ų | 31.5 | 57% | 0.567 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -69.8 | -28 | 178.3 | -66.6 | -34.8 | 0 | 0 | 0 | 112.3 | F789 G790 R791 | F789-N793 PolarHBondContact O-ND2 2.89Å; G790-N793 WeakPolarHBondContact O-CB 3.03Å; G790-N793 PolarHBondContact O-N 3.22Å; R791-N793 PolarHBondContact O-N 3.48Å |
| 794 | F | 94.5 | Very high | 95.1 | Very high | 40 Ų | 40 | 31.1 Ų | 31.1 | 18% | 0.175 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -102.8 | -18.8 | -177.9 | -53.8 | -84.1 | 0 | 0 | 0 | 113.1 | C526 V527 Y786 F789 G790 R791 H792 K796 | C526-F794 HydrophobicContact CB-CD1 4.35Å; C526-F794 HydrophobicContact CB-CE1 4.07Å; C526-F794 WeakPolarHBondContact O-CE1 3.23Å; V527-F794 HydrophobicContact CG2-CZ 4.36Å; Y786-F794 HydrophobicContact CD1-CB 3.93Å; Y786-F794 AromaticContact CD1-CD1 3.73Å; Y786-F794 HydrophobicContact CD1-CD1 3.73Å; Y786-F794 AromaticContact CD1-CD2 3.7Å; Y786-F794 HydrophobicContact CD1-CD2 3.7Å; Y786-F794 HydrophobicContact CD1-CE1 4.14Å; Y786-F794 HydrophobicContact CD1-CE2 4.14Å; Y786-F794 AromaticContact CD1-CG 3.48Å; Y786-F794 HydrophobicContact CD1-CG 3.48Å; Y786-F794 VanDerWaalsContact CD1-CG 3.48Å; Y786-F794 HydrophobicContact CD1-CZ 4.34Å; Y786-F794 HydrophobicContact CE1-CB 4.26Å; Y786-F794 AromaticContact CE1-CD1 3.87Å; Y786-F794 HydrophobicContact CE1-CD1 3.87Å; Y786-F794 HydrophobicContact CE1-CE1 4.39Å; Y786-F794 AromaticContact CE1-CG 3.98Å; Y786-F794 HydrophobicContact CE1-CG 3.98Å; Y786-F794 HydrophobicContact CG-CB 4.41Å; Y786-F794 HydrophobicContact CG-CD2 4.25Å; Y786-F794 HydrophobicContact CG-CG 4.26Å; F789-F794 HydrophobicContact CB-CE2 3.61Å; F789-F794 HydrophobicContact CB-CZ 3.72Å; G790-F794 WeakPolarHBondContact O-CD2 3.4Å; R791-F794 PolarHBondContact O-N 2.97Å; R791-F794 VanDerWaalsContact O-N 3.13Å; H792-F794 VanDerWaalsContact C-N 3.28Å; H792-F794 PolarHBondContact O-N 3.46Å; F794-K796 HydrophobicContact CB-CB 4.18Å; F794-K796 HydrophobicContact CB-CG 4.07Å; F794-K796 PolarHBondContact O-N 3.1Å |
| 795 | K | 93.3 | Very high | 94.9 | Very high | 161 Ų | 161 | 32.2 Ų | 32.2 | 70% | 0.7 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 36.3 | -169.3 | -55.7 | -179.9 | -179.3 | 178.8 | 0 | 112.2 | R791 | R791-K795 PolarHBondContact O-N 3.5Š|
| 796 | K | 93.4 | Very high | 94.8 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 19% | 0.191 | 17% | 0.166 | C | C | . | . | trans | -115.2 | 152.4 | 177.6 | -64.6 | -58.4 | -174.7 | 175.3 | 0 | 110.4 | E582 Y786 F794 | E582-K796 PolarHBondContact O-NZ 2.69Å; E582-K796 IonicContact OE2-NZ 3.72Å; E582-K796 PolarHBondContact OE2-NZ 3.2Å; Y786-K796 HydrophobicContact CD2-CB 3.67Å; Y786-K796 HydrophobicContact CD2-CG 4.39Å; Y786-K796 HydrophobicContact CE2-CB 3.68Å; Y786-K796 HydrophobicContact CE2-CG 3.95Å; Y786-K796 HydrophobicContact CG-CB 4.25Å; F794-K796 HydrophobicContact CB-CB 4.18Å; F794-K796 HydrophobicContact CB-CG 4.07Å; F794-K796 PolarHBondContact O-N 3.1Å | ||
| 797 | T | 93.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | trans | -81.8 | 155.5 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | S717 A799 | S717-T797 PolarHBondContact OG-OG1 3.26Å; T797-A799 WeakPolarHBondContact OG1-CB 3.34Å; T797-A799 PolarHBondContact OG1-N 3.24Å; T797-A799 VanDerWaalsContact OG1-N 3.13Å | ||
| 798 | T | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -128 | 34.9 | 164.4 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | E783 H787 R791 N800 L801 D802 | E783-T798 HydrophobicContact CB-CG2 4.1Å; E783-T798 HydrophobicContact CG-CG2 4.47Å; E783-T798 WeakPolarHBondContact O-CG2 3.26Å; E783-T798 VanDerWaalsContact OE2-CA 3.22Å; E783-T798 WeakPolarHBondContact OE2-CA 3.49Å; H787-T798 HydrophobicContact CB-CG2 4.24Å; R791-T798 WeakPolarHBondContact CD-OG1 3.43Å; R791-T798 HydrophobicContact CG-CG2 3.75Å; R791-T798 PolarHBondContact NH1-OG1 3.11Å; T798-N800 PolarHBondContact O-N 3.16Å; T798-L801 PolarHBondContact O-N 3.18Å; T798-D802 PolarHBondContact O-N 2.84Å; T798-D802 PolarHBondContact OG1-OD1 3.21Å | ||
| 799 | A | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.7 | -38.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I652 V676 T720 T797 L803 | I652-A799 HydrophobicContact CB-CB 4.22Å; I652-A799 HydrophobicContact CG2-CB 3.86Å; V676-A799 HydrophobicContact CG1-CB 4.06Å; T720-A799 HydrophobicContact CG2-CB 3.8Å; T797-A799 WeakPolarHBondContact OG1-CB 3.34Å; T797-A799 PolarHBondContact OG1-N 3.24Å; T797-A799 VanDerWaalsContact OG1-N 3.13Å; A799-L803 WeakPolarHBondContact O-CB 3.33Å; A799-L803 VanDerWaalsContact O-CG 3.25Å; A799-L803 WeakPolarHBondContact O-CG 3.35Å; A799-L803 PolarHBondContact O-N 3.37Å |
| 800 | N | 96.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.7 | -44.1 | -178.8 | -53.1 | -65.8 | 0 | 0 | 0 | 110.4 | I652 C778 V779 E783 T798 L803 F804 | I652-N800 WeakPolarHBondContact CB-OD1 3.4Å; I652-N800 PolarHBondContact N-OD1 3.27Å; I652-N800 PolarHBondContact O-ND2 2.99Å; C778-N800 HydrophobicContact CB-CB 4.07Å; C778-N800 WeakPolarHBondContact O-CB 3.31Å; C778-N800 VanDerWaalsContact O-CG 3.26Å; C778-N800 PolarHBondContact O-ND2 2.91Å; V779-N800 HydrophobicContact CG2-CB 4.2Å; E783-N800 WeakPolarHBondContact OE1-CB 3.38Å; E783-N800 PolarHBondContact OE1-ND2 2.84Å; E783-N800 WeakPolarHBondContact OE2-CB 3.37Å; E783-N800 PolarHBondContact OE2-N 3.39Å; E783-N800 VanDerWaalsContact OE2-N 3.14Å; T798-N800 PolarHBondContact O-N 3.16Å; N800-L803 PolarHBondContact O-N 2.97Å; N800-F804 WeakPolarHBondContact O-CB 3.28Å; N800-F804 PolarHBondContact O-N 3.48Å |
| 801 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.1 | 179.6 | 60.9 | 0 | 0 | 0 | 111.4 | V779 E783 L784 H787 T798 L803 F804 L805 M912 I916 | V779-L801 HydrophobicContact CG1-CB 4.03Å; V779-L801 HydrophobicContact CG1-CD1 4.18Å; E783-L801 HydrophobicContact CB-CB 4.21Å; E783-L801 PolarHBondContact OE2-N 3.45Å; L784-L801 HydrophobicContact CD2-CD1 3.83Å; L784-L801 HydrophobicContact CD2-CD2 4.01Å; H787-L801 HydrophobicContact CB-CD2 3.6Å; T798-L801 PolarHBondContact O-N 3.18Å; L801-L803 VanDerWaalsContact C-N 3.35Å; L801-L803 PolarHBondContact O-N 2.96Å; L801-F804 PolarHBondContact O-N 3.45Å; L801-L805 HydrophobicContact CD1-CD1 4.04Å; L801-L805 HydrophobicContact CD1-CD2 4.47Å; L801-L805 HydrophobicContact CD1-CG 4Å; L801-L805 HydrophobicContact CG-CD1 3.95Å; L801-L805 HydrophobicContact CG-CG 4.31Å; L801-L805 WeakPolarHBondContact O-CG 3.26Å; L801-L805 PolarHBondContact O-N 3.23Å; L801-M912 HydrophobicContact CD1-CE 4.07Å; L801-I916 HydrophobicContact CD1-CD1 4.23Å; L801-I916 HydrophobicContact CD2-CD1 4.25Å |
| 802 | D | 95.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 180 | -69.1 | -22.4 | 0 | 0 | 0 | 111.5 | T720 R791 T798 F804 L805 R806 | T720-D802 PolarHBondContact OG1-OD2 3.37Å; R791-D802 IonicContact CZ-OD1 3.84Å; R791-D802 IonicContact NH1-OD1 2.69Å; R791-D802 PolarHBondContact NH1-OD1 2.92Å; R791-D802 IonicContact NH1-OD2 3.54Å; T798-D802 PolarHBondContact O-N 2.84Å; T798-D802 PolarHBondContact OG1-OD1 3.21Å; D802-F804 VanDerWaalsContact C-N 3.33Å; D802-F804 PolarHBondContact O-N 2.85Å; D802-L805 PolarHBondContact O-N 3.49Å; D802-R806 VanDerWaalsContact O-CB 3.24Å; D802-R806 WeakPolarHBondContact O-CB 3.29Å; D802-R806 PolarHBondContact O-N 3.22Å |
| 803 | L | 94.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 18% | 0.178 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.1 | -37.3 | 178.5 | -70.5 | 178 | 0 | 0 | 0 | 112 | I652 T720 A799 N800 L801 R806 R807 | I652-L803 HydrophobicContact CD1-CD1 3.54Å; T720-L803 HydrophobicContact CG2-CD1 4.44Å; T720-L803 HydrophobicContact CG2-CD2 4.15Å; T720-L803 HydrophobicContact CG2-CG 4.06Å; A799-L803 WeakPolarHBondContact O-CB 3.33Å; A799-L803 VanDerWaalsContact O-CG 3.25Å; A799-L803 WeakPolarHBondContact O-CG 3.35Å; A799-L803 PolarHBondContact O-N 3.37Å; N800-L803 PolarHBondContact O-N 2.97Å; L801-L803 VanDerWaalsContact C-N 3.35Å; L801-L803 PolarHBondContact O-N 2.96Å; L803-R806 PolarHBondContact O-N 3.28Å; L803-R807 WeakPolarHBondContact O-CB 3.3Å; L803-R807 PolarHBondContact O-N 3.09Å |
| 804 | F | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -72.5 | -36.9 | 178.3 | -171.9 | -133.3 | 0 | 0 | 0 | 112.8 | D772 L775 F776 V779 N800 L801 D802 R807 F808 I909 M912 | D772-F804 HydrophobicContact CB-CE2 4.2Å; L775-F804 HydrophobicContact CB-CB 4.36Å; L775-F804 HydrophobicContact CB-CD2 3.62Å; L775-F804 HydrophobicContact CB-CE2 4.3Å; L775-F804 HydrophobicContact CB-CG 4.27Å; L775-F804 HydrophobicContact CD1-CD2 4.34Å; F776-F804 HydrophobicContact CB-CD1 4.39Å; F776-F804 HydrophobicContact CB-CE1 3.8Å; F776-F804 HydrophobicContact CB-CE2 4.19Å; F776-F804 HydrophobicContact CB-CZ 3.72Å; F776-F804 AromaticContact CD2-CD1 3.97Å; F776-F804 HydrophobicContact CD2-CD1 3.97Å; F776-F804 AromaticContact CD2-CE1 3.36Å; F776-F804 HydrophobicContact CD2-CE1 3.36Å; F776-F804 HydrophobicContact CD2-CZ 4.06Å; F776-F804 HydrophobicContact CE2-CE1 4.15Å; F776-F804 AromaticContact CG-CE1 3.84Å; F776-F804 HydrophobicContact CG-CE1 3.84Å; F776-F804 HydrophobicContact CG-CZ 4.08Å; V779-F804 HydrophobicContact CG2-CB 4.2Å; V779-F804 HydrophobicContact CG2-CD1 4.35Å; N800-F804 WeakPolarHBondContact O-CB 3.28Å; N800-F804 PolarHBondContact O-N 3.48Å; L801-F804 PolarHBondContact O-N 3.45Å; D802-F804 VanDerWaalsContact C-N 3.33Å; D802-F804 PolarHBondContact O-N 2.85Å; F804-R807 WeakPolarHBondContact O-CB 3.25Å; F804-R807 PolarHBondContact O-N 3.39Å; F804-F808 PolarHBondContact O-N 3.33Å; F804-I909 HydrophobicContact CE1-CG2 4.41Å; F804-I909 HydrophobicContact CZ-CG2 3.67Å; F804-M912 HydrophobicContact CD1-CE 4.32Å; F804-M912 HydrophobicContact CD1-CG 3.93Å; F804-M912 HydrophobicContact CD1-SD 4.49Å; F804-M912 HydrophobicContact CE1-CE 4.36Å; F804-M912 HydrophobicContact CE1-CG 3.34Å; F804-M912 HydrophobicContact CE1-SD 3.96Å; F804-M912 HydrophobicContact CZ-CG 4.12Å |
| 805 | L | 95.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 22.9 Ų | 22.9 | 13% | 0.126 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 171 | -66.5 | 176.2 | 0 | 0 | 0 | 111.4 | L801 D802 R807 F808 M912 I916 | L801-L805 HydrophobicContact CD1-CD1 4.04Å; L801-L805 HydrophobicContact CD1-CD2 4.47Å; L801-L805 HydrophobicContact CD1-CG 4Å; L801-L805 HydrophobicContact CG-CD1 3.95Å; L801-L805 HydrophobicContact CG-CG 4.31Å; L801-L805 WeakPolarHBondContact O-CG 3.26Å; L801-L805 PolarHBondContact O-N 3.23Å; D802-L805 PolarHBondContact O-N 3.49Å; L805-R807 VanDerWaalsContact C-N 3.29Å; L805-R807 PolarHBondContact O-N 2.77Å; L805-F808 WeakPolarHBondContact O-CB 3.43Å; L805-F808 PolarHBondContact O-N 3.42Å; L805-M912 HydrophobicContact CD2-CB 3.93Å; L805-I916 HydrophobicContact CD1-CG1 4.1Å; L805-I916 HydrophobicContact CD2-CG1 3.92Å |
| 806 | R | 95.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 15.2 Ų | 15.2 | 23% | 0.226 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.3 | -34.9 | 174.2 | -177.3 | 174.4 | 172.1 | 169 | -1.6 | 112.3 | L722 T723 I724 D802 L803 F808 N809 E810 | L722-R806 PolarHBondContact O-NH1 2.81Å; T723-R806 PolarHBondContact O-NH2 3.41Å; I724-R806 VanDerWaalsContact C-NH2 3.33Å; I724-R806 HydrophobicContact CG1-CG 4.16Å; I724-R806 PolarHBondContact O-NH2 2.84Å; D802-R806 VanDerWaalsContact O-CB 3.24Å; D802-R806 WeakPolarHBondContact O-CB 3.29Å; D802-R806 PolarHBondContact O-N 3.22Å; L803-R806 PolarHBondContact O-N 3.28Å; R806-F808 VanDerWaalsContact C-N 3.26Å; R806-F808 PolarHBondContact O-N 2.77Å; R806-N809 PolarHBondContact O-N 3.04Å; R806-N809 VanDerWaalsContact O-N 3.17Å; R806-E810 PolarHBondContact O-N 2.78Å |
| 807 | R | 97.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.015 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.2 | -36.8 | 174.5 | 175.3 | 59.1 | 175.9 | 177.7 | 5.2 | 112.3 | D772 L775 L803 F804 L805 E810 I811 V975 | D772-R807 WeakPolarHBondContact OD1-CG 3.42Å; D772-R807 IonicContact OD1-NE 3.74Å; D772-R807 PolarHBondContact OD1-NE 3.46Å; D772-R807 VanDerWaalsContact OD1-NE 3.13Å; D772-R807 IonicContact OD1-NH2 3.49Å; L775-R807 HydrophobicContact CD1-CB 3.98Å; L775-R807 HydrophobicContact CD1-CG 3.84Å; L803-R807 WeakPolarHBondContact O-CB 3.3Å; L803-R807 PolarHBondContact O-N 3.09Å; F804-R807 WeakPolarHBondContact O-CB 3.25Å; F804-R807 PolarHBondContact O-N 3.39Å; L805-R807 VanDerWaalsContact C-N 3.29Å; L805-R807 PolarHBondContact O-N 2.77Å; R807-E810 WeakPolarHBondContact CD-OE2 3.34Å; R807-E810 IonicContact CZ-OE2 2.84Å; R807-E810 IonicContact NE-OE2 3.87Å; R807-E810 IonicContact NH1-OE2 3.56Å; R807-E810 PolarHBondContact NH1-OE2 3.18Å; R807-E810 PolarHBondContact O-N 3.31Å; R807-I811 HydrophobicContact CG-CD1 4.17Å; R807-I811 WeakPolarHBondContact O-CG1 3.44Å; R807-I811 PolarHBondContact O-N 3.21Å; R807-V975 PolarHBondContact NH1-O 2.79Å; R807-V975 PolarHBondContact NH2-O 3.3Å |
| 808 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 173.9 | -177.2 | -85.9 | 0 | 0 | 0 | 111.3 | F804 L805 R806 E810 I811 Q812 N849 F852 A853 M856 F911 P913 | F804-F808 PolarHBondContact O-N 3.33Å; L805-F808 WeakPolarHBondContact O-CB 3.43Å; L805-F808 PolarHBondContact O-N 3.42Å; R806-F808 VanDerWaalsContact C-N 3.26Å; R806-F808 PolarHBondContact O-N 2.77Å; F808-E810 VanDerWaalsContact C-N 3.33Å; F808-E810 PolarHBondContact O-N 3.46Å; F808-I811 PolarHBondContact O-N 2.83Å; F808-Q812 PolarHBondContact O-N 3.45Å; F808-N849 WeakPolarHBondContact CD2-O 3.22Å; F808-N849 VanDerWaalsContact CE2-O 3.29Å; F808-N849 WeakPolarHBondContact CE2-O 3.39Å; F808-F852 HydrophobicContact CE2-CB 4.11Å; F808-F852 HydrophobicContact CZ-CB 4.41Å; F808-A853 HydrophobicContact CD2-CB 3.74Å; F808-A853 HydrophobicContact CE1-CB 4.44Å; F808-A853 HydrophobicContact CE2-CB 3.67Å; F808-A853 VanDerWaalsContact CE2-N 3.34Å; F808-A853 HydrophobicContact CG-CB 4.16Å; F808-A853 HydrophobicContact CZ-CB 4.03Å; F808-M856 HydrophobicContact CE1-SD 3.92Å; F808-M856 HydrophobicContact CZ-SD 3.58Å; F808-M856 VanDerWaalsContact CZ-SD 3.58Å; F808-F911 AromaticContact CE2-CD2 3.9Å; F808-F911 HydrophobicContact CE2-CD2 3.9Å; F808-F911 AromaticContact CE2-CE2 3.56Å; F808-F911 HydrophobicContact CE2-CE2 3.56Å; F808-F911 HydrophobicContact CZ-CD2 4.39Å; F808-F911 AromaticContact CZ-CE2 3.61Å; F808-F911 HydrophobicContact CZ-CE2 3.61Å; F808-F911 HydrophobicContact CZ-CZ 4.49Å; F808-P913 HydrophobicContact CD1-CG 3.98Å; F808-P913 HydrophobicContact CD2-CG 3.97Å; F808-P913 HydrophobicContact CE1-CG 4.16Å; F808-P913 HydrophobicContact CE2-CG 4.14Å; F808-P913 HydrophobicContact CG-CG 3.9Å; F808-P913 HydrophobicContact CZ-CG 4.25Å |
| 809 | N | 94.9 | Very high | 97.2 | Very high | 33 Ų | 33 | 12.9 Ų | 12.9 | 18% | 0.176 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 178.5 | -67.1 | -39.1 | 0 | 0 | 0 | 111.6 | I724 R806 I811 Q812 F813 | I724-N809 HydrophobicContact CD1-CB 3.92Å; I724-N809 HydrophobicContact CG1-CB 4.48Å; R806-N809 PolarHBondContact O-N 3.04Å; R806-N809 VanDerWaalsContact O-N 3.17Å; N809-I811 PolarHBondContact O-N 3.21Å; N809-Q812 PolarHBondContact O-N 2.74Å; N809-F813 HydrophobicContact CB-CD2 4.46Å; N809-F813 WeakPolarHBondContact O-CB 3.36Å; N809-F813 VanDerWaalsContact O-CD2 3.28Å; N809-F813 WeakPolarHBondContact O-CD2 3.31Å; N809-F813 PolarHBondContact O-N 3.45Å |
| 810 | E | 97.9 | Very high | 97.4 | Very high | 35 Ų | 35 | 13.1 Ų | 13.1 | 16% | 0.164 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 176.8 | -175.8 | -174.1 | -130.4 | 0 | 0 | 111.5 | I724 R806 R807 F808 W814 L978 | I724-E810 HydrophobicContact CD1-CB 4.39Å; I724-E810 HydrophobicContact CG1-CB 4.49Å; R806-E810 PolarHBondContact O-N 2.78Å; R807-E810 WeakPolarHBondContact CD-OE2 3.34Å; R807-E810 IonicContact CZ-OE2 2.84Å; R807-E810 IonicContact NE-OE2 3.87Å; R807-E810 IonicContact NH1-OE2 3.56Å; R807-E810 PolarHBondContact NH1-OE2 3.18Å; R807-E810 PolarHBondContact O-N 3.31Å; F808-E810 VanDerWaalsContact C-N 3.33Å; F808-E810 PolarHBondContact O-N 3.46Å; E810-W814 VanDerWaalsContact O-CB 3.3Å; E810-W814 WeakPolarHBondContact O-CB 3.38Å; E810-W814 PolarHBondContact O-N 2.99Å; E810-L978 HydrophobicContact CG-CB 4.16Å; E810-L978 HydrophobicContact CG-CD1 4.28Å |
| 811 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.5 | -43 | 177.3 | -65.3 | 167.6 | 0 | 0 | 0 | 111 | M768 R807 F808 N809 W814 V815 S850 A853 I854 | M768-I811 HydrophobicContact CE-CB 4.43Å; M768-I811 HydrophobicContact CE-CD1 3.67Å; M768-I811 HydrophobicContact CE-CG1 3.87Å; M768-I811 HydrophobicContact CE-CG2 3.68Å; R807-I811 HydrophobicContact CG-CD1 4.17Å; R807-I811 WeakPolarHBondContact O-CG1 3.44Å; R807-I811 PolarHBondContact O-N 3.21Å; F808-I811 PolarHBondContact O-N 2.83Å; N809-I811 PolarHBondContact O-N 3.21Å; I811-W814 HydrophobicContact CG2-CE3 4.37Å; I811-W814 WeakPolarHBondContact O-CB 3.48Å; I811-W814 PolarHBondContact O-N 2.81Å; I811-V815 PolarHBondContact O-N 3.46Å; I811-S850 WeakPolarHBondContact CD1-OG 3.41Å; I811-A853 HydrophobicContact CB-CB 3.8Å; I811-A853 HydrophobicContact CG2-CB 3.64Å; I811-I854 HydrophobicContact CG2-CG1 3.76Å |
| 812 | Q | 98.1 | Very high | 97.5 | Very high | 20 Ų | 20 | 14.8 Ų | 14.8 | 9% | 0.093 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.7 | -50.7 | 178.1 | -175.3 | -167 | -35 | 0 | 0 | 111 | F808 N809 W814 V815 V816 A853 M856 | F808-Q812 PolarHBondContact O-N 3.45Å; N809-Q812 PolarHBondContact O-N 2.74Å; Q812-W814 VanDerWaalsContact C-N 3.33Å; Q812-W814 PolarHBondContact O-N 3.33Å; Q812-V815 PolarHBondContact O-N 2.76Å; Q812-V816 WeakPolarHBondContact O-CG2 3.46Å; Q812-V816 PolarHBondContact O-N 3.25Å; Q812-A853 WeakPolarHBondContact CA-O 3.49Å; Q812-M856 HydrophobicContact CG-CB 4.27Å |
| 813 | F | 98.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 18.5 Ų | 18.5 | 14% | 0.136 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.5 | -26.1 | -179.9 | -79.5 | -66.3 | 0 | 0 | 0 | 113 | I724 N809 V816 T817 V980 I981 D982 L987 | I724-F813 HydrophobicContact CD1-CB 4.38Å; I724-F813 HydrophobicContact CD1-CD2 3.69Å; I724-F813 HydrophobicContact CD1-CE2 4.5Å; I724-F813 HydrophobicContact CD1-CG 4.43Å; N809-F813 HydrophobicContact CB-CD2 4.46Å; N809-F813 WeakPolarHBondContact O-CB 3.36Å; N809-F813 VanDerWaalsContact O-CD2 3.28Å; N809-F813 WeakPolarHBondContact O-CD2 3.31Å; N809-F813 PolarHBondContact O-N 3.45Å; F813-V816 PolarHBondContact O-N 3.16Å; F813-T817 WeakPolarHBondContact O-CB 3.35Å; F813-T817 PolarHBondContact O-N 3.41Å; F813-T817 PolarHBondContact O-OG1 3.49Å; F813-V980 HydrophobicContact CB-CB 4.23Å; F813-V980 HydrophobicContact CB-CG2 4.11Å; F813-I981 WeakPolarHBondContact CD1-O 3.27Å; F813-D982 HydrophobicContact CD2-CB 4.09Å; F813-D982 HydrophobicContact CE2-CB 4.28Å; F813-D982 HydrophobicContact CG-CB 4.27Å; F813-L987 HydrophobicContact CD1-CD1 3.73Å; F813-L987 HydrophobicContact CE1-CD1 3.98Å |
| 814 | W | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.015 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 170.2 | 167.7 | 56.9 | 0 | 0 | 0 | 111.9 | F756 M768 E810 I811 Q812 V816 T817 E818 F835 I838 Y974 L978 V980 | F756-W814 HydrophobicContact CD2-CZ2 4.14Å; F756-W814 HydrophobicContact CE2-CZ2 4.08Å; F756-W814 HydrophobicContact CZ-CZ2 4.42Å; M768-W814 HydrophobicContact CE-CZ3 4.21Å; M768-W814 HydrophobicContact SD-CZ3 4.17Å; E810-W814 VanDerWaalsContact O-CB 3.3Å; E810-W814 WeakPolarHBondContact O-CB 3.38Å; E810-W814 PolarHBondContact O-N 2.99Å; I811-W814 HydrophobicContact CG2-CE3 4.37Å; I811-W814 WeakPolarHBondContact O-CB 3.48Å; I811-W814 PolarHBondContact O-N 2.81Å; Q812-W814 VanDerWaalsContact C-N 3.33Å; Q812-W814 PolarHBondContact O-N 3.33Å; W814-V816 PolarHBondContact O-N 3.25Å; W814-T817 PolarHBondContact O-N 3.2Å; W814-E818 WeakPolarHBondContact O-CG 3.2Å; W814-E818 PolarHBondContact O-N 2.89Å; W814-F835 HydrophobicContact CD2-CE1 4.12Å; W814-F835 AromaticContact CE2-CE1 3.98Å; W814-F835 AromaticContact CE3-CE1 3.92Å; W814-F835 HydrophobicContact CE3-CE1 3.92Å; W814-F835 HydrophobicContact CH2-CD1 4.24Å; W814-F835 AromaticContact CH2-CE1 3.53Å; W814-F835 HydrophobicContact CH2-CE1 3.53Å; W814-F835 AromaticContact CZ2-CE1 3.69Å; W814-F835 HydrophobicContact CZ2-CE1 3.69Å; W814-F835 HydrophobicContact CZ2-CZ 4.27Å; W814-F835 HydrophobicContact CZ3-CD1 4.19Å; W814-F835 AromaticContact CZ3-CE1 3.64Å; W814-F835 HydrophobicContact CZ3-CE1 3.64Å; W814-I838 HydrophobicContact CH2-CD1 4.18Å; W814-Y974 AromaticContact CZ2-CE1 3.9Å; W814-Y974 HydrophobicContact CZ2-CE1 3.9Å; W814-Y974 AromaticContact NE1-CZ 3.93Å; W814-Y974 PolarHBondContact NE1-OH 3.22Å; W814-L978 HydrophobicContact CB-CD1 4.1Å; W814-L978 HydrophobicContact CD2-CD1 4.26Å; W814-L978 HydrophobicContact CD2-CD2 4.28Å; W814-L978 HydrophobicContact CG-CD1 4.07Å; W814-L978 HydrophobicContact CG-CD2 4.13Å; W814-V980 HydrophobicContact CB-CG1 3.69Å |
| 815 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | I811 Q812 T817 I819 F835 I854 L858 | I811-V815 PolarHBondContact O-N 3.46Å; Q812-V815 PolarHBondContact O-N 2.76Å; V815-T817 VanDerWaalsContact C-N 3.35Å; V815-T817 PolarHBondContact O-N 3.17Å; V815-I819 HydrophobicContact CG1-CD1 3.86Å; V815-I819 WeakPolarHBondContact O-CG1 3.38Å; V815-I819 PolarHBondContact O-N 3.4Å; V815-F835 HydrophobicContact CB-CE1 4.42Å; V815-F835 HydrophobicContact CB-CZ 4.42Å; V815-F835 HydrophobicContact CG1-CD1 4.48Å; V815-F835 HydrophobicContact CG1-CD2 3.97Å; V815-F835 HydrophobicContact CG1-CE2 4.17Å; V815-F835 HydrophobicContact CG1-CG 4.14Å; V815-F835 HydrophobicContact CG2-CD1 3.77Å; V815-F835 HydrophobicContact CG2-CE1 3.8Å; V815-F835 HydrophobicContact CG2-CG 4.22Å; V815-F835 HydrophobicContact CG2-CZ 4.28Å; V815-I854 HydrophobicContact CG2-CB 4.32Å; V815-I854 HydrophobicContact CG2-CG1 4.2Å; V815-I854 HydrophobicContact CG2-CG2 4.07Å; V815-L858 HydrophobicContact CG1-CD2 3.75Å; V815-L858 HydrophobicContact CG1-CG 4.06Å |
| 816 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | -177.6 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | Q812 F813 W814 I819 C820 G857 N860 A862 V863 L987 | Q812-V816 WeakPolarHBondContact O-CG2 3.46Å; Q812-V816 PolarHBondContact O-N 3.25Å; F813-V816 PolarHBondContact O-N 3.16Å; W814-V816 PolarHBondContact O-N 3.25Å; V816-I819 PolarHBondContact O-N 2.85Å; V816-C820 WeakPolarHBondContact O-CB 3.45Å; V816-C820 PolarHBondContact O-N 3.01Å; V816-C820 PolarHBondContact O-SG 3.37Å; V816-G857 WeakPolarHBondContact CG2-O 3.34Å; V816-N860 HydrophobicContact CG2-CB 3.61Å; V816-A862 HydrophobicContact CG1-CB 4.05Å; V816-V863 HydrophobicContact CB-CG2 4.36Å; V816-V863 HydrophobicContact CG1-CG2 4.08Å; V816-V863 HydrophobicContact CG2-CG2 4.23Å; V816-L987 HydrophobicContact CB-CD1 4.14Å; V816-L987 HydrophobicContact CG1-CB 4.14Å; V816-L987 HydrophobicContact CG1-CD1 3.61Å; V816-L987 HydrophobicContact CG1-CD2 4.01Å; V816-L987 HydrophobicContact CG1-CG 4.12Å |
| 817 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -54 | 178.9 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | P748 F813 W814 V815 I819 C820 L821 I981 | P748-T817 HydrophobicContact CG-CG2 3.87Å; F813-T817 WeakPolarHBondContact O-CB 3.35Å; F813-T817 PolarHBondContact O-N 3.41Å; F813-T817 PolarHBondContact O-OG1 3.49Å; W814-T817 PolarHBondContact O-N 3.2Å; V815-T817 VanDerWaalsContact C-N 3.35Å; V815-T817 PolarHBondContact O-N 3.17Å; T817-I819 VanDerWaalsContact C-N 3.31Å; T817-I819 PolarHBondContact O-N 3.28Å; T817-C820 PolarHBondContact O-N 3.14Å; T817-L821 HydrophobicContact CG2-CD1 3.66Å; T817-L821 HydrophobicContact CG2-CG 4.4Å; T817-L821 WeakPolarHBondContact O-CB 3.38Å; T817-L821 WeakPolarHBondContact O-CG 3.25Å; T817-L821 PolarHBondContact O-N 3.02Å; T817-I981 HydrophobicContact CG2-CB 4.37Å; T817-I981 HydrophobicContact CG2-CD1 4.07Å; T817-I981 HydrophobicContact CG2-CG1 3.88Å; T817-I981 PolarHBondContact OG1-N 2.81Å; T817-I981 PolarHBondContact OG1-O 3.33Å |
| 818 | E | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.1 | -35.6 | -177 | -70.7 | -61.3 | 147.2 | 0 | 0 | 112.4 | T752 V753 F756 W814 C822 L831 F835 | T752-E818 PolarHBondContact N-OE1 3.22Å; T752-E818 VanDerWaalsContact N-OE1 3.09Å; T752-E818 PolarHBondContact N-OE2 2.86Å; T752-E818 VanDerWaalsContact OG1-CD 3.27Å; T752-E818 PolarHBondContact OG1-OE1 2.92Å; V753-E818 WeakPolarHBondContact CG2-OE2 3.33Å; V753-E818 PolarHBondContact N-OE2 3.33Å; F756-E818 HydrophobicContact CE1-CB 4.47Å; F756-E818 HydrophobicContact CE1-CG 3.92Å; F756-E818 HydrophobicContact CZ-CB 4.4Å; F756-E818 HydrophobicContact CZ-CG 4.19Å; W814-E818 WeakPolarHBondContact O-CG 3.2Å; W814-E818 PolarHBondContact O-N 2.89Å; E818-C822 WeakPolarHBondContact O-CB 3.43Å; E818-C822 PolarHBondContact O-N 3.35Å; E818-L831 WeakPolarHBondContact O-CD1 3.48Å; E818-F835 HydrophobicContact CB-CE2 4.27Å; E818-F835 HydrophobicContact CB-CZ 4.03Å; E818-F835 HydrophobicContact CG-CZ 4.43Å |
| 819 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.8 | -45.2 | 176.3 | -67 | 170.4 | 0 | 0 | 0 | 111.1 | V815 V816 T817 L821 C822 L831 L832 F835 L858 V863 L866 | V815-I819 HydrophobicContact CG1-CD1 3.86Å; V815-I819 WeakPolarHBondContact O-CG1 3.38Å; V815-I819 PolarHBondContact O-N 3.4Å; V816-I819 PolarHBondContact O-N 2.85Å; T817-I819 VanDerWaalsContact C-N 3.31Å; T817-I819 PolarHBondContact O-N 3.28Å; I819-L821 VanDerWaalsContact C-N 3.34Å; I819-L821 PolarHBondContact O-N 3.37Å; I819-C822 PolarHBondContact O-N 3.32Å; I819-L831 HydrophobicContact CG1-CB 4.43Å; I819-L832 HydrophobicContact CD1-CD2 3.76Å; I819-F835 HydrophobicContact CD1-CD2 4.19Å; I819-F835 HydrophobicContact CD1-CE2 4.33Å; I819-F835 HydrophobicContact CG1-CD2 4.35Å; I819-F835 HydrophobicContact CG1-CE2 4.08Å; I819-L858 HydrophobicContact CD1-CD2 3.84Å; I819-V863 HydrophobicContact CB-CG2 4.29Å; I819-V863 HydrophobicContact CD1-CG1 3.7Å; I819-V863 HydrophobicContact CD1-CG2 4Å; I819-V863 HydrophobicContact CG2-CG1 4.3Å; I819-V863 HydrophobicContact CG2-CG2 4.17Å; I819-L866 HydrophobicContact CG2-CD1 3.72Å |
| 820 | C | 98.3 | Very high | 98 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.034 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.6 | -26.5 | -177.7 | -67.5 | 0 | 0 | 0 | 0 | 113.3 | V816 T817 C822 L987 M990 L994 | V816-C820 WeakPolarHBondContact O-CB 3.45Å; V816-C820 PolarHBondContact O-N 3.01Å; V816-C820 PolarHBondContact O-SG 3.37Å; T817-C820 PolarHBondContact O-N 3.14Å; C820-C822 VanDerWaalsContact C-N 3.33Å; C820-L987 HydrophobicContact CB-CD2 4.02Å; C820-M990 HydrophobicContact CB-CB 4.06Å; C820-M990 HydrophobicContact CB-SD 4.38Å; C820-L994 WeakPolarHBondContact O-CD1 3.32Å |
| 821 | L | 98.2 | Very high | 98.1 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 18% | 0.183 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.4 | 174.5 | -67.6 | 176.3 | 0 | 0 | 0 | 113.2 | P748 T817 I819 S823 I981 M990 | P748-L821 HydrophobicContact CG-CD1 4.32Å; T817-L821 HydrophobicContact CG2-CD1 3.66Å; T817-L821 HydrophobicContact CG2-CG 4.4Å; T817-L821 WeakPolarHBondContact O-CB 3.38Å; T817-L821 WeakPolarHBondContact O-CG 3.25Å; T817-L821 PolarHBondContact O-N 3.02Å; I819-L821 VanDerWaalsContact C-N 3.34Å; I819-L821 PolarHBondContact O-N 3.37Å; L821-S823 PolarHBondContact O-N 2.63Å; L821-I981 HydrophobicContact CD1-CD1 4.25Å; L821-I981 HydrophobicContact CD2-CD1 4.34Å; L821-I981 HydrophobicContact CG-CD1 4.38Å; L821-M990 HydrophobicContact CD2-CE 3.92Å; L821-M990 HydrophobicContact CD2-SD 3.95Å |
| 822 | C | 97.9 | Very high | 98 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | trans | -92 | 94.5 | -179.9 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | E818 I819 C820 Q824 R828 L831 | E818-C822 WeakPolarHBondContact O-CB 3.43Å; E818-C822 PolarHBondContact O-N 3.35Å; I819-C822 PolarHBondContact O-N 3.32Å; C820-C822 VanDerWaalsContact C-N 3.33Å; C822-Q824 VanDerWaalsContact C-N 3.33Å; C822-Q824 PolarHBondContact O-N 3.1Å; C822-R828 HydrophobicContact CB-CG 3.7Å; C822-R828 WeakPolarHBondContact O-CD 3.4Å; C822-R828 WeakPolarHBondContact O-CG 3.37Å; C822-R828 PolarHBondContact O-NH1 3.46Å; C822-R828 VanDerWaalsContact O-NH1 3.15Å; C822-L831 HydrophobicContact CB-CD1 3.71Å | ||
| 823 | S | 96.2 | Very high | 98 | Very high | 92 Ų | 92 | 33.3 Ų | 33.3 | 64% | 0.643 | 18% | 0.177 | S | C | * | . | trans | -65.7 | -30.9 | -177.9 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | L821 L825 R828 | L821-S823 PolarHBondContact O-N 2.63Å; S823-L825 PolarHBondContact O-N 2.88Å; S823-R828 PolarHBondContact O-NH1 2.95Å | ||
| 824 | Q | 97.1 | Very high | 98.1 | Very high | 99 Ų | 99 | 33 Ų | 33 | 46% | 0.463 | 18% | 0.175 | S | C | . | . | trans | -81.5 | 115.9 | -175.8 | -64.1 | 176.5 | 3.3 | 0 | 0 | 111.7 | C822 S826 K827 R828 | C822-Q824 VanDerWaalsContact C-N 3.33Å; C822-Q824 PolarHBondContact O-N 3.1Å; Q824-S826 VanDerWaalsContact C-N 3.33Å; Q824-S826 PolarHBondContact O-N 3.35Å; Q824-K827 HydrophobicContact CB-CB 4.18Å; Q824-K827 HydrophobicContact CB-CG 4.24Å; Q824-K827 PolarHBondContact O-N 3.16Å; Q824-K827 VanDerWaalsContact O-N 3.15Å; Q824-R828 PolarHBondContact O-N 3.35Å | ||
| 825 | L | 97.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 25% | 0.251 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -53.9 | -44.2 | -178.9 | 174.3 | 62.9 | 0 | 0 | 0 | 113.1 | S823 K827 R828 V829 L868 T869 K872 | S823-L825 PolarHBondContact O-N 2.88Å; L825-K827 PolarHBondContact O-N 2.82Å; L825-R828 PolarHBondContact O-N 2.88Å; L825-V829 HydrophobicContact CD1-CG2 4.49Å; L825-V829 WeakPolarHBondContact O-CG2 3.47Å; L825-V829 PolarHBondContact O-N 3.44Å; L825-V829 VanDerWaalsContact O-N 3.1Å; L825-L868 HydrophobicContact CD1-CB 4.43Å; L825-T869 HydrophobicContact CD1-CG2 4.5Å; L825-T869 WeakPolarHBondContact CD1-OG1 3.38Å; L825-K872 HydrophobicContact CD2-CD 4.08Å |
| 826 | S | 97.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 32.8 Ų | 32.8 | 57% | 0.573 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -61.6 | -42.6 | 179.6 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | Q824 V829 Q830 | Q824-S826 VanDerWaalsContact C-N 3.33Å; Q824-S826 PolarHBondContact O-N 3.35Å; S826-V829 PolarHBondContact O-N 2.71Å; S826-Q830 WeakPolarHBondContact O-CG 3.21Å; S826-Q830 PolarHBondContact O-N 3.05Å |
| 827 | K | 97.6 | Very high | 98 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 36% | 0.357 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -70.5 | -34.8 | 176.4 | -67.3 | -165.8 | 179 | -178.8 | 0 | 112.3 | Q824 L825 V829 Q830 L831 | Q824-K827 HydrophobicContact CB-CB 4.18Å; Q824-K827 HydrophobicContact CB-CG 4.24Å; Q824-K827 PolarHBondContact O-N 3.16Å; Q824-K827 VanDerWaalsContact O-N 3.15Å; L825-K827 PolarHBondContact O-N 2.82Å; K827-V829 VanDerWaalsContact C-N 3.33Å; K827-V829 PolarHBondContact O-N 3.47Å; K827-Q830 CarbonylContact O-C 3.48Å; K827-Q830 WeakPolarHBondContact O-CA 3.35Å; K827-Q830 WeakPolarHBondContact O-CB 3.47Å; K827-Q830 PolarHBondContact O-N 3.09Å; K827-Q830 VanDerWaalsContact O-N 3.11Å; K827-L831 PolarHBondContact O-N 2.87Å |
| 828 | R | 97.9 | Very high | 98 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 172 | -73.3 | -160.4 | -55.3 | -88.3 | 10.3 | 112.7 | C822 S823 Q824 L825 Q830 L831 L832 T869 E995 | C822-R828 HydrophobicContact CB-CG 3.7Å; C822-R828 WeakPolarHBondContact O-CD 3.4Å; C822-R828 WeakPolarHBondContact O-CG 3.37Å; C822-R828 PolarHBondContact O-NH1 3.46Å; C822-R828 VanDerWaalsContact O-NH1 3.15Å; S823-R828 PolarHBondContact O-NH1 2.95Å; Q824-R828 PolarHBondContact O-N 3.35Å; L825-R828 PolarHBondContact O-N 2.88Å; R828-Q830 VanDerWaalsContact C-N 3.27Å; R828-Q830 PolarHBondContact O-N 3.44Å; R828-L831 WeakPolarHBondContact O-CB 3.28Å; R828-L831 PolarHBondContact O-N 3.36Å; R828-L831 VanDerWaalsContact O-N 3.13Å; R828-L832 PolarHBondContact O-N 3.27Å; R828-T869 HydrophobicContact CB-CG2 3.71Å; R828-T869 PolarHBondContact NE-OG1 3.02Å; R828-T869 PolarHBondContact NH2-OG1 2.85Å; R828-E995 IonicContact CZ-OE1 3.99Å; R828-E995 IonicContact NE-OE1 2.65Å; R828-E995 IonicContact NH2-OE1 3.39Å; R828-E995 PolarHBondContact NH2-OE1 2.69Å |
| 829 | V | 98.4 | Very high | 98.1 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 13% | 0.127 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 175.3 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L825 S826 K827 L832 K833 T869 K872 L873 | L825-V829 HydrophobicContact CD1-CG2 4.49Å; L825-V829 WeakPolarHBondContact O-CG2 3.47Å; L825-V829 PolarHBondContact O-N 3.44Å; L825-V829 VanDerWaalsContact O-N 3.1Å; S826-V829 PolarHBondContact O-N 2.71Å; K827-V829 VanDerWaalsContact C-N 3.33Å; K827-V829 PolarHBondContact O-N 3.47Å; V829-L832 PolarHBondContact O-N 2.94Å; V829-K833 PolarHBondContact O-N 3.21Å; V829-K833 VanDerWaalsContact O-N 3.11Å; V829-T869 HydrophobicContact CG2-CG2 3.96Å; V829-K872 HydrophobicContact CG2-CB 3.92Å; V829-L873 HydrophobicContact CG1-CD1 4.33Å |
| 830 | Q | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 38.3 Ų | 38.3 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -37.8 | 174.1 | -67.1 | 171.5 | -22 | 0 | 0 | 112.1 | S826 K827 R828 K833 K834 | S826-Q830 WeakPolarHBondContact O-CG 3.21Å; S826-Q830 PolarHBondContact O-N 3.05Å; K827-Q830 CarbonylContact O-C 3.48Å; K827-Q830 WeakPolarHBondContact O-CA 3.35Å; K827-Q830 WeakPolarHBondContact O-CB 3.47Å; K827-Q830 PolarHBondContact O-N 3.09Å; K827-Q830 VanDerWaalsContact O-N 3.11Å; R828-Q830 VanDerWaalsContact C-N 3.27Å; R828-Q830 PolarHBondContact O-N 3.44Å; Q830-K833 PolarHBondContact O-N 3.04Å; Q830-K834 VanDerWaalsContact O-CB 3.29Å; Q830-K834 WeakPolarHBondContact O-CB 3.29Å; Q830-K834 PolarHBondContact O-N 3.33Å |
| 831 | L | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | 173.8 | -74.5 | 179.1 | 0 | 0 | 0 | 112.4 | V753 F756 E818 I819 C822 K827 R828 K833 K834 F835 | V753-L831 HydrophobicContact CG1-CD2 3.99Å; V753-L831 HydrophobicContact CG1-CG 4.44Å; V753-L831 HydrophobicContact CG2-CD1 3.8Å; V753-L831 HydrophobicContact CG2-CD2 4.07Å; V753-L831 HydrophobicContact CG2-CG 4.36Å; F756-L831 HydrophobicContact CE1-CD2 4.34Å; F756-L831 HydrophobicContact CE2-CD2 4.15Å; F756-L831 HydrophobicContact CZ-CD2 3.52Å; E818-L831 WeakPolarHBondContact O-CD1 3.48Å; I819-L831 HydrophobicContact CG1-CB 4.43Å; C822-L831 HydrophobicContact CB-CD1 3.71Å; K827-L831 PolarHBondContact O-N 2.87Å; R828-L831 WeakPolarHBondContact O-CB 3.28Å; R828-L831 PolarHBondContact O-N 3.36Å; R828-L831 VanDerWaalsContact O-N 3.13Å; L831-K833 VanDerWaalsContact C-N 3.3Å; L831-K833 PolarHBondContact O-N 3.33Å; L831-K834 PolarHBondContact O-N 3.14Å; L831-F835 HydrophobicContact CB-CD2 4.4Å; L831-F835 HydrophobicContact CB-CE2 4.31Å; L831-F835 HydrophobicContact CD2-CE2 4.35Å; L831-F835 VanDerWaalsContact O-CD2 3.24Å; L831-F835 WeakPolarHBondContact O-CD2 3.46Å; L831-F835 PolarHBondContact O-N 2.97Å |
| 832 | L | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.7 | -50.8 | 174.7 | -70.6 | -173.8 | 0 | 0 | 0 | 110.6 | I819 R828 V829 K834 F835 I836 L858 V863 T869 W870 L873 | I819-L832 HydrophobicContact CD1-CD2 3.76Å; R828-L832 PolarHBondContact O-N 3.27Å; V829-L832 PolarHBondContact O-N 2.94Å; L832-K834 VanDerWaalsContact C-N 3.28Å; L832-K834 PolarHBondContact O-N 2.8Å; L832-F835 PolarHBondContact O-N 3.18Å; L832-I836 WeakPolarHBondContact O-CB 3.4Å; L832-I836 WeakPolarHBondContact O-CD1 3.3Å; L832-I836 VanDerWaalsContact O-CG1 3.23Å; L832-I836 WeakPolarHBondContact O-CG1 3.3Å; L832-I836 PolarHBondContact O-N 3.03Å; L832-L858 HydrophobicContact CD2-CD2 3.68Å; L832-V863 HydrophobicContact CD2-CG1 4.06Å; L832-T869 HydrophobicContact CD1-CG2 3.61Å; L832-T869 HydrophobicContact CG-CG2 4.14Å; L832-W870 HydrophobicContact CD1-CD2 3.84Å; L832-W870 HydrophobicContact CD1-CE3 3.97Å; L832-W870 HydrophobicContact CD1-CG 4.31Å; L832-W870 HydrophobicContact CD1-CH2 4.49Å; L832-W870 HydrophobicContact CD1-CZ2 4.35Å; L832-W870 HydrophobicContact CD1-CZ3 4.3Å; L832-W870 HydrophobicContact CD2-CH2 4.21Å; L832-W870 HydrophobicContact CD2-CZ2 3.95Å; L832-L873 HydrophobicContact CB-CD1 4.03Å |
| 833 | K | 98.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.8 | -40.1 | 176 | 178.3 | 179.1 | 171 | -175.4 | 0 | 112.2 | V829 Q830 L831 K837 L873 F877 | V829-K833 PolarHBondContact O-N 3.21Å; V829-K833 VanDerWaalsContact O-N 3.11Å; Q830-K833 PolarHBondContact O-N 3.04Å; L831-K833 VanDerWaalsContact C-N 3.3Å; L831-K833 PolarHBondContact O-N 3.33Å; K833-K837 VanDerWaalsContact O-CG 3.29Å; K833-K837 WeakPolarHBondContact O-CG 3.47Å; K833-K837 PolarHBondContact O-N 3.32Å; K833-K837 VanDerWaalsContact O-N 3.16Å; K833-L873 HydrophobicContact CB-CD1 4.22Å; K833-F877 HydrophobicContact CD-CD2 4.21Å; K833-F877 HydrophobicContact CD-CE2 3.73Å; K833-F877 HydrophobicContact CD-CZ 3.99Å; K833-F877 HydrophobicContact CG-CD1 4.1Å; K833-F877 HydrophobicContact CG-CD2 3.97Å; K833-F877 HydrophobicContact CG-CE1 3.84Å; K833-F877 HydrophobicContact CG-CE2 3.71Å; K833-F877 HydrophobicContact CG-CG 4.18Å; K833-F877 HydrophobicContact CG-CZ 3.65Å |
| 834 | K | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 11% | 0.109 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70 | -44.8 | -178.4 | -167.2 | 174 | 176.1 | 89 | 0 | 111.5 | F756 E757 M759 Q830 L831 L832 K837 I838 | F756-K834 HydrophobicContact CD2-CD 4.11Å; F756-K834 VanDerWaalsContact CD2-CE 3.5Å; F756-K834 HydrophobicContact CE2-CD 3.89Å; F756-K834 WeakPolarHBondContact O-CE 3.5Å; F756-K834 PolarHBondContact O-NZ 2.73Å; E757-K834 PolarHBondContact O-NZ 2.98Å; M759-K834 PolarHBondContact O-NZ 3.26Å; Q830-K834 VanDerWaalsContact O-CB 3.29Å; Q830-K834 WeakPolarHBondContact O-CB 3.29Å; Q830-K834 PolarHBondContact O-N 3.33Å; L831-K834 PolarHBondContact O-N 3.14Å; L832-K834 VanDerWaalsContact C-N 3.28Å; L832-K834 PolarHBondContact O-N 2.8Å; K834-K837 WeakPolarHBondContact O-CB 3.39Å; K834-K837 PolarHBondContact O-N 2.96Å; K834-I838 HydrophobicContact CG-CD1 4.2Å; K834-I838 VanDerWaalsContact O-CG1 3.28Å; K834-I838 WeakPolarHBondContact O-CG1 3.48Å; K834-I838 PolarHBondContact O-N 3.42Å |
| 835 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 176.5 | -74.1 | -58 | 0 | 0 | 0 | 112.5 | F756 W814 V815 E818 I819 L831 L832 K837 I838 A839 I854 L858 | F756-F835 HydrophobicContact CE2-CE1 4.34Å; F756-F835 HydrophobicContact CE2-CZ 4.2Å; F756-F835 AromaticContact CZ-CZ 3.95Å; F756-F835 HydrophobicContact CZ-CZ 3.95Å; W814-F835 HydrophobicContact CD2-CE1 4.12Å; W814-F835 AromaticContact CE2-CE1 3.98Å; W814-F835 AromaticContact CE3-CE1 3.92Å; W814-F835 HydrophobicContact CE3-CE1 3.92Å; W814-F835 HydrophobicContact CH2-CD1 4.24Å; W814-F835 AromaticContact CH2-CE1 3.53Å; W814-F835 HydrophobicContact CH2-CE1 3.53Å; W814-F835 AromaticContact CZ2-CE1 3.69Å; W814-F835 HydrophobicContact CZ2-CE1 3.69Å; W814-F835 HydrophobicContact CZ2-CZ 4.27Å; W814-F835 HydrophobicContact CZ3-CD1 4.19Å; W814-F835 AromaticContact CZ3-CE1 3.64Å; W814-F835 HydrophobicContact CZ3-CE1 3.64Å; V815-F835 HydrophobicContact CB-CE1 4.42Å; V815-F835 HydrophobicContact CB-CZ 4.42Å; V815-F835 HydrophobicContact CG1-CD1 4.48Å; V815-F835 HydrophobicContact CG1-CD2 3.97Å; V815-F835 HydrophobicContact CG1-CE2 4.17Å; V815-F835 HydrophobicContact CG1-CG 4.14Å; V815-F835 HydrophobicContact CG2-CD1 3.77Å; V815-F835 HydrophobicContact CG2-CE1 3.8Å; V815-F835 HydrophobicContact CG2-CG 4.22Å; V815-F835 HydrophobicContact CG2-CZ 4.28Å; E818-F835 HydrophobicContact CB-CE2 4.27Å; E818-F835 HydrophobicContact CB-CZ 4.03Å; E818-F835 HydrophobicContact CG-CZ 4.43Å; I819-F835 HydrophobicContact CD1-CD2 4.19Å; I819-F835 HydrophobicContact CD1-CE2 4.33Å; I819-F835 HydrophobicContact CG1-CD2 4.35Å; I819-F835 HydrophobicContact CG1-CE2 4.08Å; L831-F835 HydrophobicContact CB-CD2 4.4Å; L831-F835 HydrophobicContact CB-CE2 4.31Å; L831-F835 HydrophobicContact CD2-CE2 4.35Å; L831-F835 VanDerWaalsContact O-CD2 3.24Å; L831-F835 WeakPolarHBondContact O-CD2 3.46Å; L831-F835 PolarHBondContact O-N 2.97Å; L832-F835 PolarHBondContact O-N 3.18Å; F835-K837 VanDerWaalsContact C-N 3.26Å; F835-K837 PolarHBondContact O-N 2.72Å; F835-I838 HydrophobicContact CD1-CD1 4.2Å; F835-I838 PolarHBondContact O-N 2.9Å; F835-I838 VanDerWaalsContact O-N 3.14Å; F835-A839 WeakPolarHBondContact O-CB 3.4Å; F835-A839 PolarHBondContact O-N 2.66Å; F835-I854 HydrophobicContact CB-CG2 4Å; F835-L858 HydrophobicContact CB-CD1 4.41Å; F835-L858 HydrophobicContact CB-CD2 4.18Å |
| 836 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -40.1 | 173.9 | -67.2 | 164.3 | 0 | 0 | 0 | 110.7 | L832 A840 L858 L873 F877 F880 F884 | L832-I836 WeakPolarHBondContact O-CB 3.4Å; L832-I836 WeakPolarHBondContact O-CD1 3.3Å; L832-I836 VanDerWaalsContact O-CG1 3.23Å; L832-I836 WeakPolarHBondContact O-CG1 3.3Å; L832-I836 PolarHBondContact O-N 3.03Å; I836-A840 WeakPolarHBondContact O-CB 3.45Å; I836-A840 PolarHBondContact O-N 3.29Å; I836-L858 HydrophobicContact CG1-CD1 3.8Å; I836-L873 HydrophobicContact CD1-CD2 3.85Å; I836-F877 HydrophobicContact CB-CD1 4.45Å; I836-F877 HydrophobicContact CD1-CB 4.15Å; I836-F877 HydrophobicContact CG2-CD1 4Å; I836-F880 HydrophobicContact CG2-CB 4Å; I836-F884 HydrophobicContact CG2-CE2 3.95Å |
| 837 | K | 98.5 | Very high | 97.9 | Very high | 82 Ų | 82 | 35.1 Ų | 35.1 | 36% | 0.357 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67 | -41.5 | 174.5 | -74.2 | 176.6 | 172.4 | -162.8 | 0 | 113.3 | S761 K833 K834 F835 A839 A840 H841 F877 | S761-K837 WeakPolarHBondContact OG-CB 3.22Å; K833-K837 VanDerWaalsContact O-CG 3.29Å; K833-K837 WeakPolarHBondContact O-CG 3.47Å; K833-K837 PolarHBondContact O-N 3.32Å; K833-K837 VanDerWaalsContact O-N 3.16Å; K834-K837 WeakPolarHBondContact O-CB 3.39Å; K834-K837 PolarHBondContact O-N 2.96Å; F835-K837 VanDerWaalsContact C-N 3.26Å; F835-K837 PolarHBondContact O-N 2.72Å; K837-A839 VanDerWaalsContact C-N 3.34Å; K837-A840 WeakPolarHBondContact O-CB 3.34Å; K837-A840 PolarHBondContact O-N 3.35Å; K837-H841 PolarHBondContact O-CD2 2.72Å; K837-H841 PolarHBondContact O-N 2.7Å; K837-H841 VanDerWaalsContact O-N 3.1Å; K837-F877 HydrophobicContact CD-CE1 4.38Å; K837-F877 HydrophobicContact CG-CE1 3.84Å |
| 838 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 177 | -64.9 | 162.8 | 0 | 0 | 0 | 109.3 | L764 A765 M768 W814 K834 F835 A840 H841 C842 I854 | L764-I838 HydrophobicContact CB-CD1 4.37Å; L764-I838 HydrophobicContact CB-CG1 4.36Å; L764-I838 HydrophobicContact CD1-CD1 3.75Å; L764-I838 HydrophobicContact CD1-CG1 4.36Å; A765-I838 HydrophobicContact CB-CG2 4.18Å; M768-I838 HydrophobicContact SD-CG2 3.98Å; W814-I838 HydrophobicContact CH2-CD1 4.18Å; K834-I838 HydrophobicContact CG-CD1 4.2Å; K834-I838 VanDerWaalsContact O-CG1 3.28Å; K834-I838 WeakPolarHBondContact O-CG1 3.48Å; K834-I838 PolarHBondContact O-N 3.42Å; F835-I838 HydrophobicContact CD1-CD1 4.2Å; F835-I838 PolarHBondContact O-N 2.9Å; F835-I838 VanDerWaalsContact O-N 3.14Å; I838-A840 VanDerWaalsContact C-N 3.35Å; I838-A840 PolarHBondContact O-N 2.77Å; I838-H841 PolarHBondContact O-N 3.46Å; I838-C842 PolarHBondContact O-N 2.95Å; I838-C842 PolarHBondContact O-SG 3.1Å; I838-I854 HydrophobicContact CB-CD1 4.21Å; I838-I854 HydrophobicContact CG2-CD1 3.59Å |
| 839 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F835 K837 H841 C842 K843 F851 I854 V855 F884 | F835-A839 WeakPolarHBondContact O-CB 3.4Å; F835-A839 PolarHBondContact O-N 2.66Å; K837-A839 VanDerWaalsContact C-N 3.34Å; A839-H841 VanDerWaalsContact C-N 3.32Å; A839-H841 PolarHBondContact O-N 3.41Å; A839-C842 PolarHBondContact O-N 3.21Å; A839-C842 VanDerWaalsContact O-N 3.17Å; A839-K843 PolarHBondContact O-N 2.85Å; A839-F851 HydrophobicContact CB-CD2 3.94Å; A839-F851 HydrophobicContact CB-CE2 4.37Å; A839-F851 WeakPolarHBondContact O-CD2 3.47Å; A839-I854 HydrophobicContact CB-CB 4.17Å; A839-I854 HydrophobicContact CB-CD1 4.35Å; A839-I854 HydrophobicContact CB-CG2 3.89Å; A839-V855 HydrophobicContact CB-CG2 4.46Å; A839-F884 HydrophobicContact CB-CD2 4.33Å; A839-F884 HydrophobicContact CB-CE2 4.02Å |
| 840 | A | 97.9 | Very high | 98 | Very high | 36 Ų | 36 | 30 Ų | 30 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -55.9 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I836 K837 I838 K843 E844 F884 | I836-A840 WeakPolarHBondContact O-CB 3.45Å; I836-A840 PolarHBondContact O-N 3.29Å; K837-A840 WeakPolarHBondContact O-CB 3.34Å; K837-A840 PolarHBondContact O-N 3.35Å; I838-A840 VanDerWaalsContact C-N 3.35Å; I838-A840 PolarHBondContact O-N 2.77Å; A840-K843 PolarHBondContact O-N 3.28Å; A840-E844 PolarHBondContact O-N 2.66Å; A840-F884 HydrophobicContact CB-CE2 4.45Å; A840-F884 HydrophobicContact CB-CZ 3.88Å |
| 841 | H | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 25.3 Ų | 25.3 | 22% | 0.222 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.7 | -35.9 | 176.5 | -71.1 | -58 | 0 | 0 | 0 | 113 | A765 K837 I838 A839 K843 E844 Y845 | A765-H841 HydrophobicContact CB-CB 3.46Å; A765-H841 VanDerWaalsContact CB-CB 3.46Å; K837-H841 PolarHBondContact O-CD2 2.72Å; K837-H841 PolarHBondContact O-N 2.7Å; K837-H841 VanDerWaalsContact O-N 3.1Å; I838-H841 PolarHBondContact O-N 3.46Å; A839-H841 VanDerWaalsContact C-N 3.32Å; A839-H841 PolarHBondContact O-N 3.41Å; H841-K843 VanDerWaalsContact C-N 3.3Å; H841-K843 PolarHBondContact O-N 2.9Å; H841-E844 IonicContact CE1-OE2 2.78Å; H841-E844 IonicContact CG-OE2 3.91Å; H841-E844 IonicContact ND1-OE2 3.43Å; H841-E844 PolarHBondContact ND1-OE2 3.4Å; H841-E844 WeakPolarHBondContact O-CB 3.17Å; H841-E844 PolarHBondContact O-N 2.78Å; H841-Y845 HydrophobicContact CB-CE2 4.35Å; H841-Y845 WeakPolarHBondContact O-CD2 3.28Å; H841-Y845 PolarHBondContact O-N 3.12Å |
| 842 | C | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 171.8 | -72.3 | 0 | 0 | 0 | 0 | 111.3 | I838 A839 Y845 K846 N847 F851 | I838-C842 PolarHBondContact O-N 2.95Å; I838-C842 PolarHBondContact O-SG 3.1Å; A839-C842 PolarHBondContact O-N 3.21Å; A839-C842 VanDerWaalsContact O-N 3.17Å; C842-Y845 CarbonylContact O-C 3.58Å; C842-Y845 PolarHBondContact O-N 3.4Å; C842-K846 PolarHBondContact O-N 3.47Å; C842-N847 WeakPolarHBondContact O-CA 3.35Å; C842-N847 PolarHBondContact O-N 3.13Å; C842-F851 HydrophobicContact CB-CB 4.15Å |
| 843 | K | 96.6 | Very high | 98 | Very high | 60 Ų | 60 | 25.1 Ų | 25.1 | 26% | 0.261 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 174.3 | -174.3 | -177.2 | 174.8 | -171.8 | 0 | 111.8 | A839 A840 H841 Y845 K846 L848 F851 | A839-K843 PolarHBondContact O-N 2.85Å; A840-K843 PolarHBondContact O-N 3.28Å; H841-K843 VanDerWaalsContact C-N 3.3Å; H841-K843 PolarHBondContact O-N 2.9Å; K843-Y845 VanDerWaalsContact C-N 3.31Å; K843-Y845 PolarHBondContact O-N 2.82Å; K843-K846 WeakPolarHBondContact O-CA 3.09Å; K843-K846 PolarHBondContact O-N 3.14Å; K843-L848 HydrophobicContact CG-CD2 4.29Å; K843-F851 HydrophobicContact CB-CD2 3.84Å; K843-F851 HydrophobicContact CB-CE2 4.25Å; K843-F851 HydrophobicContact CB-CG 4.15Å; K843-F851 HydrophobicContact CD-CE2 4.16Å; K843-F851 HydrophobicContact CD-CZ 4.27Å |
| 844 | E | 95.3 | Very high | 98 | Very high | 122 Ų | 122 | 21.4 Ų | 21.4 | 57% | 0.57 | 10% | 0.102 | S | C | * | . | H | α-helix | trans | -58.2 | -41.2 | 174.6 | -172.2 | -175.6 | 178 | 0 | 0 | 111.9 | A840 H841 K846 | A840-E844 PolarHBondContact O-N 2.66Å; H841-E844 IonicContact CE1-OE2 2.78Å; H841-E844 IonicContact CG-OE2 3.91Å; H841-E844 IonicContact ND1-OE2 3.43Å; H841-E844 PolarHBondContact ND1-OE2 3.4Å; H841-E844 WeakPolarHBondContact O-CB 3.17Å; H841-E844 PolarHBondContact O-N 2.78Å; E844-K846 PolarHBondContact O-N 3.31Å |
| 845 | Y | 96.3 | Very high | 98 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 8% | 0.082 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 7.2 | 174.3 | -65.1 | -53.5 | 0 | 0 | 0 | 114.5 | K762 A765 Y766 H841 C842 K843 N847 F957 P959 | K762-Y845 WeakPolarHBondContact CE-OH 3.39Å; K762-Y845 VanDerWaalsContact CG-OH 3.29Å; K762-Y845 WeakPolarHBondContact CG-OH 3.19Å; A765-Y845 HydrophobicContact CB-CD2 4.29Å; A765-Y845 HydrophobicContact CB-CE2 4.18Å; Y766-Y845 HydrophobicContact CD2-CE1 4.35Å; H841-Y845 HydrophobicContact CB-CE2 4.35Å; H841-Y845 WeakPolarHBondContact O-CD2 3.28Å; H841-Y845 PolarHBondContact O-N 3.12Å; C842-Y845 CarbonylContact O-C 3.58Å; C842-Y845 PolarHBondContact O-N 3.4Å; K843-Y845 VanDerWaalsContact C-N 3.31Å; K843-Y845 PolarHBondContact O-N 2.82Å; Y845-N847 PolarHBondContact O-N 2.75Å; Y845-F957 HydrophobicContact CD1-CE2 4.45Å; Y845-F957 HydrophobicContact CD1-CZ 4.16Å; Y845-F957 HydrophobicContact CG-CZ 4.35Å; Y845-P959 HydrophobicContact CE1-CB 4.38Å |
| 846 | K | 97.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 20.9 Ų | 20.9 | 23% | 0.23 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 25.6 | -176 | -54.8 | 179.2 | -74.9 | 172.7 | 0 | 113.2 | C842 K843 E844 L848 L904 E905 P907 L908 I909 | C842-K846 PolarHBondContact O-N 3.47Å; K843-K846 WeakPolarHBondContact O-CA 3.09Å; K843-K846 PolarHBondContact O-N 3.14Å; E844-K846 PolarHBondContact O-N 3.31Å; K846-L848 PolarHBondContact O-N 3.49Å; K846-L904 HydrophobicContact CD-CB 4.49Å; K846-L904 HydrophobicContact CD-CD2 4.33Å; K846-L904 HydrophobicContact CG-CD1 4.49Å; K846-L904 HydrophobicContact CG-CD2 4.34Å; K846-E905 PolarHBondContact NZ-O 2.99Å; K846-P907 WeakPolarHBondContact CE-O 3.31Å; K846-P907 PolarHBondContact NZ-O 3.28Å; K846-P907 VanDerWaalsContact NZ-O 3.13Å; K846-L908 HydrophobicContact CB-CB 3.9Å; K846-I909 PolarHBondContact O-N 3.49Å |
| 847 | N | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -92.1 | 80.4 | 170.4 | -177 | -3 | 0 | 0 | 0 | 109.4 | T769 D772 C842 Y845 N849 S850 F851 I909 | T769-N847 WeakPolarHBondContact CA-ND2 3.43Å; T769-N847 HydrophobicContact CG2-CB 3.81Å; T769-N847 PolarHBondContact OG1-ND2 2.88Å; T769-N847 VanDerWaalsContact OG1-ND2 3.13Å; D772-N847 PolarHBondContact OD2-ND2 3.24Å; C842-N847 WeakPolarHBondContact O-CA 3.35Å; C842-N847 PolarHBondContact O-N 3.13Å; Y845-N847 PolarHBondContact O-N 2.75Å; N847-N849 VanDerWaalsContact C-N 3.31Å; N847-S850 PolarHBondContact OD1-N 3.45Å; N847-S850 VanDerWaalsContact OD1-N 3.16Å; N847-F851 WeakPolarHBondContact O-CB 3.26Å; N847-F851 PolarHBondContact O-N 2.91Å; N847-I909 HydrophobicContact CB-CD1 4.48Å |
| 848 | L | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.8 | -27.4 | -177.9 | -57.2 | -177.3 | 0 | 0 | 0 | 111.8 | K843 K846 F852 Y897 V901 L904 I909 | K843-L848 HydrophobicContact CG-CD2 4.29Å; K846-L848 PolarHBondContact O-N 3.49Å; L848-F852 HydrophobicContact CB-CD2 4.29Å; L848-F852 HydrophobicContact CB-CE2 4.22Å; L848-F852 WeakPolarHBondContact O-CD2 3.43Å; L848-F852 PolarHBondContact O-N 2.98Å; L848-Y897 HydrophobicContact CD1-CE2 3.94Å; L848-V901 HydrophobicContact CD1-CG2 3.44Å; L848-V901 VanDerWaalsContact CD1-CG2 3.44Å; L848-L904 HydrophobicContact CD1-CD1 3.99Å; L848-L904 HydrophobicContact CD2-CD1 4.49Å; L848-L904 HydrophobicContact CG-CD1 4.5Å; L848-I909 WeakPolarHBondContact CB-O 3.38Å; L848-I909 PolarHBondContact N-O 2.91Å |
| 849 | N | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.8 | -55.2 | 176.3 | -163.9 | 62.2 | 0 | 0 | 0 | 111.8 | F808 N847 F852 A853 I909 P910 M912 | F808-N849 WeakPolarHBondContact CD2-O 3.22Å; F808-N849 VanDerWaalsContact CE2-O 3.29Å; F808-N849 WeakPolarHBondContact CE2-O 3.39Å; N847-N849 VanDerWaalsContact C-N 3.31Å; N849-F852 PolarHBondContact O-N 3.32Å; N849-A853 PolarHBondContact O-N 3.17Å; N849-I909 HydrophobicContact CB-CG2 3.7Å; N849-I909 PolarHBondContact N-O 3.06Å; N849-P910 VanDerWaalsContact CB-O 3.3Å; N849-P910 WeakPolarHBondContact CB-O 3.42Å; N849-M912 PolarHBondContact OD1-N 3.19Å |
| 850 | S | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -76.7 | -29.1 | -177.6 | -67.6 | 0 | 0 | 0 | 0 | 113 | D772 I811 N847 A853 I854 | D772-S850 WeakPolarHBondContact OD2-CB 3.24Å; D772-S850 PolarHBondContact OD2-OG 3.28Å; I811-S850 WeakPolarHBondContact CD1-OG 3.41Å; N847-S850 PolarHBondContact OD1-N 3.45Å; N847-S850 VanDerWaalsContact OD1-N 3.16Å; S850-A853 PolarHBondContact O-N 2.91Å; S850-I854 VanDerWaalsContact O-CG1 3.3Å; S850-I854 WeakPolarHBondContact O-CG1 3.47Å; S850-I854 PolarHBondContact O-N 3.43Å; S850-I854 VanDerWaalsContact O-N 3.07Å |
| 851 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.4 | -55.4 | 166.8 | 165.4 | -104.2 | 0 | 0 | 0 | 111 | A839 C842 K843 N847 A853 I854 V855 F884 L887 | A839-F851 HydrophobicContact CB-CD2 3.94Å; A839-F851 HydrophobicContact CB-CE2 4.37Å; A839-F851 WeakPolarHBondContact O-CD2 3.47Å; C842-F851 HydrophobicContact CB-CB 4.15Å; K843-F851 HydrophobicContact CB-CD2 3.84Å; K843-F851 HydrophobicContact CB-CE2 4.25Å; K843-F851 HydrophobicContact CB-CG 4.15Å; K843-F851 HydrophobicContact CD-CE2 4.16Å; K843-F851 HydrophobicContact CD-CZ 4.27Å; N847-F851 WeakPolarHBondContact O-CB 3.26Å; N847-F851 PolarHBondContact O-N 2.91Å; F851-A853 PolarHBondContact O-N 2.96Å; F851-I854 PolarHBondContact O-N 3.48Å; F851-V855 HydrophobicContact CD2-CG2 4.19Å; F851-V855 HydrophobicContact CE1-CG2 4.46Å; F851-V855 HydrophobicContact CE2-CG2 3.86Å; F851-V855 HydrophobicContact CZ-CG2 4Å; F851-V855 VanDerWaalsContact O-CG2 3.28Å; F851-V855 WeakPolarHBondContact O-CG2 3.45Å; F851-V855 PolarHBondContact O-N 3.39Å; F851-F884 HydrophobicContact CE2-CB 3.98Å; F851-F884 AromaticContact CE2-CD1 3.67Å; F851-F884 HydrophobicContact CE2-CD1 3.67Å; F851-F884 AromaticContact CE2-CD2 3.71Å; F851-F884 HydrophobicContact CE2-CD2 3.71Å; F851-F884 HydrophobicContact CE2-CE1 4.03Å; F851-F884 HydrophobicContact CE2-CE2 4.05Å; F851-F884 AromaticContact CE2-CG 3.5Å; F851-F884 HydrophobicContact CE2-CG 3.5Å; F851-F884 HydrophobicContact CE2-CZ 4.21Å; F851-F884 HydrophobicContact CZ-CB 3.72Å; F851-F884 AromaticContact CZ-CD1 3.8Å; F851-F884 HydrophobicContact CZ-CD1 3.8Å; F851-F884 HydrophobicContact CZ-CD2 4.33Å; F851-F884 AromaticContact CZ-CG 3.7Å; F851-F884 HydrophobicContact CZ-CG 3.7Å; F851-L887 HydrophobicContact CE1-CD2 4.31Å |
| 852 | F | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.9 | -35 | -179.7 | -75.7 | -61.8 | 0 | 0 | 0 | 112.9 | F808 L848 N849 I854 V855 M856 L887 M888 Y897 F911 | F808-F852 HydrophobicContact CE2-CB 4.11Å; F808-F852 HydrophobicContact CZ-CB 4.41Å; L848-F852 HydrophobicContact CB-CD2 4.29Å; L848-F852 HydrophobicContact CB-CE2 4.22Å; L848-F852 WeakPolarHBondContact O-CD2 3.43Å; L848-F852 PolarHBondContact O-N 2.98Å; N849-F852 PolarHBondContact O-N 3.32Å; F852-I854 VanDerWaalsContact C-N 3.29Å; F852-I854 PolarHBondContact O-N 3.37Å; F852-V855 PolarHBondContact O-N 3.49Å; F852-M856 WeakPolarHBondContact O-CB 3.44Å; F852-M856 VanDerWaalsContact O-CG 3.3Å; F852-M856 WeakPolarHBondContact O-CG 3.29Å; F852-M856 PolarHBondContact O-N 2.93Å; F852-L887 HydrophobicContact CE1-CB 4.07Å; F852-L887 HydrophobicContact CZ-CB 4.13Å; F852-M888 HydrophobicContact CD1-CG 3.4Å; F852-M888 VanDerWaalsContact CD1-CG 3.4Å; F852-M888 HydrophobicContact CD1-SD 3.93Å; F852-M888 HydrophobicContact CE1-CB 4.42Å; F852-M888 HydrophobicContact CE1-CG 3.4Å; F852-M888 VanDerWaalsContact CE1-CG 3.4Å; F852-Y897 AromaticContact CE2-CD2 3.49Å; F852-Y897 HydrophobicContact CE2-CD2 3.49Å; F852-Y897 VanDerWaalsContact CE2-CD2 3.49Å; F852-Y897 AromaticContact CE2-CE2 3.84Å; F852-Y897 HydrophobicContact CE2-CE2 3.84Å; F852-Y897 AromaticContact CZ-CD2 3.84Å; F852-Y897 HydrophobicContact CZ-CD2 3.84Å; F852-F911 HydrophobicContact CB-CD2 3.9Å; F852-F911 HydrophobicContact CB-CE2 4.02Å; F852-F911 HydrophobicContact CB-CG 4.42Å; F852-F911 HydrophobicContact CD2-CB 3.72Å; F852-F911 HydrophobicContact CD2-CD1 4.15Å; F852-F911 HydrophobicContact CD2-CD2 4Å; F852-F911 AromaticContact CD2-CG 3.7Å; F852-F911 HydrophobicContact CD2-CG 3.7Å; F852-F911 HydrophobicContact CE2-CB 4.05Å; F852-F911 HydrophobicContact CE2-CD1 4.43Å; F852-F911 HydrophobicContact CE2-CG 4.26Å; F852-F911 HydrophobicContact CG-CD1 4.49Å; F852-F911 HydrophobicContact CG-CD2 4.19Å; F852-F911 HydrophobicContact CG-CG 4.21Å |
| 853 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F808 I811 Q812 N849 S850 F851 G857 | F808-A853 HydrophobicContact CD2-CB 3.74Å; F808-A853 HydrophobicContact CE1-CB 4.44Å; F808-A853 HydrophobicContact CE2-CB 3.67Å; F808-A853 VanDerWaalsContact CE2-N 3.34Å; F808-A853 HydrophobicContact CG-CB 4.16Å; F808-A853 HydrophobicContact CZ-CB 4.03Å; I811-A853 HydrophobicContact CB-CB 3.8Å; I811-A853 HydrophobicContact CG2-CB 3.64Å; Q812-A853 WeakPolarHBondContact CA-O 3.49Å; N849-A853 PolarHBondContact O-N 3.17Å; S850-A853 PolarHBondContact O-N 2.91Å; F851-A853 PolarHBondContact O-N 2.96Å; A853-G857 PolarHBondContact O-N 3.02Å |
| 854 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.2 | -47.1 | 177.3 | -66.1 | 165.4 | 0 | 0 | 0 | 111.1 | M768 I811 V815 F835 I838 A839 S850 F851 F852 M856 G857 L858 | M768-I854 HydrophobicContact CE-CD1 4.26Å; I811-I854 HydrophobicContact CG2-CG1 3.76Å; V815-I854 HydrophobicContact CG2-CB 4.32Å; V815-I854 HydrophobicContact CG2-CG1 4.2Å; V815-I854 HydrophobicContact CG2-CG2 4.07Å; F835-I854 HydrophobicContact CB-CG2 4Å; I838-I854 HydrophobicContact CB-CD1 4.21Å; I838-I854 HydrophobicContact CG2-CD1 3.59Å; A839-I854 HydrophobicContact CB-CB 4.17Å; A839-I854 HydrophobicContact CB-CD1 4.35Å; A839-I854 HydrophobicContact CB-CG2 3.89Å; S850-I854 VanDerWaalsContact O-CG1 3.3Å; S850-I854 WeakPolarHBondContact O-CG1 3.47Å; S850-I854 PolarHBondContact O-N 3.43Å; S850-I854 VanDerWaalsContact O-N 3.07Å; F851-I854 PolarHBondContact O-N 3.48Å; F852-I854 VanDerWaalsContact C-N 3.29Å; F852-I854 PolarHBondContact O-N 3.37Å; I854-M856 PolarHBondContact O-N 2.92Å; I854-G857 WeakPolarHBondContact O-CA 3.36Å; I854-G857 PolarHBondContact O-N 3.4Å; I854-G857 VanDerWaalsContact O-N 3.1Å; I854-L858 HydrophobicContact CG2-CD1 4.35Å; I854-L858 WeakPolarHBondContact O-CG 3.42Å; I854-L858 PolarHBondContact O-N 2.88Å |
| 855 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | -179.2 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | A839 F851 F852 G857 L858 S859 Y881 F884 M888 | A839-V855 HydrophobicContact CB-CG2 4.46Å; F851-V855 HydrophobicContact CD2-CG2 4.19Å; F851-V855 HydrophobicContact CE1-CG2 4.46Å; F851-V855 HydrophobicContact CE2-CG2 3.86Å; F851-V855 HydrophobicContact CZ-CG2 4Å; F851-V855 VanDerWaalsContact O-CG2 3.28Å; F851-V855 WeakPolarHBondContact O-CG2 3.45Å; F851-V855 PolarHBondContact O-N 3.39Å; F852-V855 PolarHBondContact O-N 3.49Å; V855-G857 VanDerWaalsContact C-N 3.26Å; V855-G857 PolarHBondContact O-N 2.72Å; V855-L858 WeakPolarHBondContact O-CA 3.44Å; V855-L858 WeakPolarHBondContact O-CB 3.37Å; V855-L858 PolarHBondContact O-N 2.74Å; V855-S859 PolarHBondContact O-N 3.08Å; V855-S859 PolarHBondContact O-OG 3.17Å; V855-Y881 HydrophobicContact CG1-CE2 4.14Å; V855-F884 HydrophobicContact CG1-CB 4.18Å; V855-F884 HydrophobicContact CG2-CB 3.8Å; V855-F884 HydrophobicContact CG2-CD2 4.06Å; V855-F884 HydrophobicContact CG2-CG 4.3Å; V855-M888 HydrophobicContact CB-CE 4.48Å; V855-M888 HydrophobicContact CB-SD 4.11Å; V855-M888 HydrophobicContact CG1-CE 3.46Å; V855-M888 VanDerWaalsContact CG1-CE 3.46Å; V855-M888 HydrophobicContact CG1-CG 4.48Å; V855-M888 HydrophobicContact CG1-SD 3.64Å |
| 856 | M | 95.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 13.3 Ų | 13.3 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.9 | -31.3 | 174.8 | -71.6 | -173.3 | 62 | 0 | 0 | 113 | V2 F808 Q812 F852 I854 S859 N860 M888 F911 | V2-M856 WeakPolarHBondContact O-CE 3.34Å; F808-M856 HydrophobicContact CE1-SD 3.92Å; F808-M856 HydrophobicContact CZ-SD 3.58Å; F808-M856 VanDerWaalsContact CZ-SD 3.58Å; Q812-M856 HydrophobicContact CG-CB 4.27Å; F852-M856 WeakPolarHBondContact O-CB 3.44Å; F852-M856 VanDerWaalsContact O-CG 3.3Å; F852-M856 WeakPolarHBondContact O-CG 3.29Å; F852-M856 PolarHBondContact O-N 2.93Å; I854-M856 PolarHBondContact O-N 2.92Å; M856-S859 PolarHBondContact O-N 3.38Å; M856-N860 PolarHBondContact O-N 2.76Å; M856-N860 VanDerWaalsContact O-N 3.08Å; M856-M888 HydrophobicContact CG-SD 3.59Å; M856-M888 VanDerWaalsContact CG-SD 3.59Å; M856-F911 HydrophobicContact SD-CE2 4.46Å; M856-F911 HydrophobicContact SD-CZ 4.2Å |
| 857 | G | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V816 A853 I854 V855 N860 | V816-G857 WeakPolarHBondContact CG2-O 3.34Å; A853-G857 PolarHBondContact O-N 3.02Å; I854-G857 WeakPolarHBondContact O-CA 3.36Å; I854-G857 PolarHBondContact O-N 3.4Å; I854-G857 VanDerWaalsContact O-N 3.1Å; V855-G857 VanDerWaalsContact C-N 3.26Å; V855-G857 PolarHBondContact O-N 2.72Å; G857-N860 VanDerWaalsContact O-CB 3.24Å; G857-N860 WeakPolarHBondContact O-CB 3.34Å; G857-N860 PolarHBondContact O-N 3.25Å |
| 858 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.8 | -34.2 | 175.4 | -64.9 | 173.7 | 0 | 0 | 0 | 112.7 | V815 I819 L832 F835 I836 I854 V855 N860 V863 W870 Y881 | V815-L858 HydrophobicContact CG1-CD2 3.75Å; V815-L858 HydrophobicContact CG1-CG 4.06Å; I819-L858 HydrophobicContact CD1-CD2 3.84Å; L832-L858 HydrophobicContact CD2-CD2 3.68Å; F835-L858 HydrophobicContact CB-CD1 4.41Å; F835-L858 HydrophobicContact CB-CD2 4.18Å; I836-L858 HydrophobicContact CG1-CD1 3.8Å; I854-L858 HydrophobicContact CG2-CD1 4.35Å; I854-L858 WeakPolarHBondContact O-CG 3.42Å; I854-L858 PolarHBondContact O-N 2.88Å; V855-L858 WeakPolarHBondContact O-CA 3.44Å; V855-L858 WeakPolarHBondContact O-CB 3.37Å; V855-L858 PolarHBondContact O-N 2.74Å; L858-N860 VanDerWaalsContact C-N 3.27Å; L858-N860 PolarHBondContact O-N 3Å; L858-V863 HydrophobicContact CD2-CG1 4.5Å; L858-V863 WeakPolarHBondContact O-CB 3.35Å; L858-V863 WeakPolarHBondContact O-CG1 3.41Å; L858-W870 HydrophobicContact CB-CH2 4.32Å; L858-W870 HydrophobicContact CB-CZ2 4.41Å; L858-Y881 HydrophobicContact CB-CD2 4.3Å; L858-Y881 HydrophobicContact CB-CE2 3.55Å; L858-Y881 HydrophobicContact CD1-CD2 3.87Å; L858-Y881 HydrophobicContact CD1-CE2 3.93Å; L858-Y881 HydrophobicContact CG-CE2 4.4Å |
| 859 | S | 94.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 9% | 0.091 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -76.9 | -11.1 | 175.5 | -42.3 | 0 | 0 | 0 | 0 | 113.5 | V855 M856 V861 S864 Y881 | V855-S859 PolarHBondContact O-N 3.08Å; V855-S859 PolarHBondContact O-OG 3.17Å; M856-S859 PolarHBondContact O-N 3.38Å; S859-V861 PolarHBondContact O-N 3.42Å; S859-S864 PolarHBondContact O-OG 2.64Å; S859-Y881 WeakPolarHBondContact CA-OH 3.31Å; S859-Y881 PolarHBondContact N-OH 2.7Å; S859-Y881 PolarHBondContact OG-OH 2.79Å |
| 860 | N | 94.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 19.9 Ų | 19.9 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -54.3 | 140.5 | 179.1 | -175.8 | -78.4 | 0 | 0 | 0 | 110.7 | V816 M856 G857 L858 A862 V863 S864 Q984 | V816-N860 HydrophobicContact CG2-CB 3.61Å; M856-N860 PolarHBondContact O-N 2.76Å; M856-N860 VanDerWaalsContact O-N 3.08Å; G857-N860 VanDerWaalsContact O-CB 3.24Å; G857-N860 WeakPolarHBondContact O-CB 3.34Å; G857-N860 PolarHBondContact O-N 3.25Å; L858-N860 VanDerWaalsContact C-N 3.27Å; L858-N860 PolarHBondContact O-N 3Å; N860-A862 PolarHBondContact O-N 3.43Å; N860-A862 VanDerWaalsContact O-N 3.08Å; N860-A862 WeakPolarHBondContact OD1-CB 3.48Å; N860-A862 PolarHBondContact OD1-N 2.98Å; N860-V863 WeakPolarHBondContact O-CA 3.36Å; N860-V863 PolarHBondContact O-N 2.97Å; N860-S864 PolarHBondContact O-N 2.93Å; N860-S864 PolarHBondContact O-OG 3.38Å; N860-Q984 PolarHBondContact ND2-OE1 3.43Å; N860-Q984 PolarHBondContact OD1-NE2 3.18Å |
| 861 | V | 91.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 26.4 Ų | 26.4 | 50% | 0.497 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -53.6 | -35.2 | -176.8 | -179 | 0 | 0 | 0 | 0 | 112.7 | S859 V863 S864 R865 | S859-V861 PolarHBondContact O-N 3.42Å; V861-V863 VanDerWaalsContact C-N 3.28Å; V861-V863 PolarHBondContact O-N 3.48Å; V861-S864 WeakPolarHBondContact CA-OG 3.36Å; V861-R865 WeakPolarHBondContact O-CB 3.43Å; V861-R865 PolarHBondContact O-N 2.88Å; V861-R865 PolarHBondContact O-NH1 2.82Å |
| 862 | A | 92.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68 | -24.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V816 N860 L987 S991 | V816-A862 HydrophobicContact CG1-CB 4.05Å; N860-A862 PolarHBondContact O-N 3.43Å; N860-A862 VanDerWaalsContact O-N 3.08Å; N860-A862 WeakPolarHBondContact OD1-CB 3.48Å; N860-A862 PolarHBondContact OD1-N 2.98Å; A862-L987 HydrophobicContact CB-CB 4.29Å; A862-S991 WeakPolarHBondContact O-CB 3.4Å; A862-S991 PolarHBondContact O-OG 2.84Å |
| 863 | V | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -98.6 | -46.2 | 179.4 | -180 | 0 | 0 | 0 | 0 | 111.4 | V816 I819 L832 L858 N860 V861 R865 L866 W870 | V816-V863 HydrophobicContact CB-CG2 4.36Å; V816-V863 HydrophobicContact CG1-CG2 4.08Å; V816-V863 HydrophobicContact CG2-CG2 4.23Å; I819-V863 HydrophobicContact CB-CG2 4.29Å; I819-V863 HydrophobicContact CD1-CG1 3.7Å; I819-V863 HydrophobicContact CD1-CG2 4Å; I819-V863 HydrophobicContact CG2-CG1 4.3Å; I819-V863 HydrophobicContact CG2-CG2 4.17Å; L832-V863 HydrophobicContact CD2-CG1 4.06Å; L858-V863 HydrophobicContact CD2-CG1 4.5Å; L858-V863 WeakPolarHBondContact O-CB 3.35Å; L858-V863 WeakPolarHBondContact O-CG1 3.41Å; N860-V863 WeakPolarHBondContact O-CA 3.36Å; N860-V863 PolarHBondContact O-N 2.97Å; V861-V863 VanDerWaalsContact C-N 3.28Å; V861-V863 PolarHBondContact O-N 3.48Å; V863-R865 PolarHBondContact O-N 3.48Å; V863-L866 WeakPolarHBondContact O-CB 3.37Å; V863-L866 PolarHBondContact O-N 3.12Å; V863-L866 VanDerWaalsContact O-N 3.12Å; V863-W870 HydrophobicContact CG1-CZ2 4.13Å; V863-W870 PolarHBondContact O-NE1 3.07Å |
| 864 | S | 94.6 | Very high | 96.1 | Very high | 59 Ų | 59 | 36.1 Ų | 36.1 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.8 | -27.8 | -176.4 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | S859 N860 V861 L866 | S859-S864 PolarHBondContact O-OG 2.64Å; N860-S864 PolarHBondContact O-N 2.93Å; N860-S864 PolarHBondContact O-OG 3.38Å; V861-S864 WeakPolarHBondContact CA-OG 3.36Å; S864-L866 VanDerWaalsContact C-N 3.29Å; S864-L866 PolarHBondContact O-N 3Å |
| 865 | R | 95 | Very high | 95.6 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.3 | 175.9 | -174.8 | 178.2 | 62.4 | -93.9 | 2.8 | 114.4 | V861 V863 A867 S988 S991 H992 | V861-R865 WeakPolarHBondContact O-CB 3.43Å; V861-R865 PolarHBondContact O-N 2.88Å; V861-R865 PolarHBondContact O-NH1 2.82Å; V863-R865 PolarHBondContact O-N 3.48Å; R865-A867 PolarHBondContact O-N 3.04Å; R865-S988 PolarHBondContact NH2-O 3.13Å; R865-S991 PolarHBondContact NH2-OG 3.49Å; R865-H992 VanDerWaalsContact CZ-CE1 3.43Å; R865-H992 PolarHBondContact NH2-CE1 3.38Å; R865-H992 VanDerWaalsContact NH2-CE1 3.34Å; R865-H992 PolarHBondContact NH2-ND1 2.83Å; R865-H992 VanDerWaalsContact NH2-ND1 3.18Å |
| 866 | L | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | trans | -72.7 | 67.9 | -175.2 | -62 | 175.1 | 0 | 0 | 0 | 111.8 | I819 V863 S864 L868 T869 W870 S991 L994 E995 | I819-L866 HydrophobicContact CG2-CD1 3.72Å; V863-L866 WeakPolarHBondContact O-CB 3.37Å; V863-L866 PolarHBondContact O-N 3.12Å; V863-L866 VanDerWaalsContact O-N 3.12Å; S864-L866 VanDerWaalsContact C-N 3.29Å; S864-L866 PolarHBondContact O-N 3Å; L866-L868 VanDerWaalsContact C-N 3.3Å; L866-L868 PolarHBondContact O-N 3.29Å; L866-T869 WeakPolarHBondContact O-CA 3.46Å; L866-T869 WeakPolarHBondContact O-CB 3.37Å; L866-T869 PolarHBondContact O-N 3.49Å; L866-W870 VanDerWaalsContact O-CD1 3.26Å; L866-W870 PolarHBondContact O-N 3.23Å; L866-S991 WeakPolarHBondContact CD2-OG 3.44Å; L866-L994 HydrophobicContact CD2-CB 4.36Å; L866-E995 VanDerWaalsContact CA-OE2 3.29Å; L866-E995 WeakPolarHBondContact CA-OE2 3.25Å; L866-E995 HydrophobicContact CD2-CB 3.94Å; L866-E995 HydrophobicContact CD2-CG 3.87Å | ||
| 867 | A | 95.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 52% | 0.521 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.9 | -40.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R865 T869 W870 E871 E995 | R865-A867 PolarHBondContact O-N 3.04Å; A867-T869 VanDerWaalsContact C-N 3.26Å; A867-T869 PolarHBondContact O-N 2.77Å; A867-W870 PolarHBondContact O-N 3.27Å; A867-E871 VanDerWaalsContact O-CB 3.24Å; A867-E871 WeakPolarHBondContact O-CB 3.5Å; A867-E871 PolarHBondContact O-N 3.03Å; A867-E995 PolarHBondContact N-OE2 3.23Å |
| 868 | L | 96.2 | Very high | 95 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -32 | 179.9 | -56.7 | 174.4 | 0 | 0 | 0 | 111.5 | L825 L866 K872 E995 | L825-L868 HydrophobicContact CD1-CB 4.43Å; L866-L868 VanDerWaalsContact C-N 3.3Å; L866-L868 PolarHBondContact O-N 3.29Å; L868-K872 WeakPolarHBondContact O-CG 3.33Å; L868-E995 WeakPolarHBondContact CB-OE2 3.34Å; L868-E995 HydrophobicContact CD1-CG 4.3Å; L868-E995 PolarHBondContact N-OE2 2.92Å |
| 869 | T | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.3 | -46.4 | 175.8 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | L825 R828 V829 L832 L866 A867 L873 E995 | L825-T869 HydrophobicContact CD1-CG2 4.5Å; L825-T869 WeakPolarHBondContact CD1-OG1 3.38Å; R828-T869 HydrophobicContact CB-CG2 3.71Å; R828-T869 PolarHBondContact NE-OG1 3.02Å; R828-T869 PolarHBondContact NH2-OG1 2.85Å; V829-T869 HydrophobicContact CG2-CG2 3.96Å; L832-T869 HydrophobicContact CD1-CG2 3.61Å; L832-T869 HydrophobicContact CG-CG2 4.14Å; L866-T869 WeakPolarHBondContact O-CA 3.46Å; L866-T869 WeakPolarHBondContact O-CB 3.37Å; L866-T869 PolarHBondContact O-N 3.49Å; A867-T869 VanDerWaalsContact C-N 3.26Å; A867-T869 PolarHBondContact O-N 2.77Å; T869-L873 PolarHBondContact O-N 3.09Å; T869-E995 PolarHBondContact N-OE1 2.78Å; T869-E995 PolarHBondContact OG1-OE1 3.02Å |
| 870 | W | 97.2 | Very high | 94.3 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 178.8 | -75.8 | 105.2 | 0 | 0 | 0 | 112.9 | L832 L858 V863 L866 A867 K872 L873 K878 Y881 | L832-W870 HydrophobicContact CD1-CD2 3.84Å; L832-W870 HydrophobicContact CD1-CE3 3.97Å; L832-W870 HydrophobicContact CD1-CG 4.31Å; L832-W870 HydrophobicContact CD1-CH2 4.49Å; L832-W870 HydrophobicContact CD1-CZ2 4.35Å; L832-W870 HydrophobicContact CD1-CZ3 4.3Å; L832-W870 HydrophobicContact CD2-CH2 4.21Å; L832-W870 HydrophobicContact CD2-CZ2 3.95Å; L858-W870 HydrophobicContact CB-CH2 4.32Å; L858-W870 HydrophobicContact CB-CZ2 4.41Å; V863-W870 HydrophobicContact CG1-CZ2 4.13Å; V863-W870 PolarHBondContact O-NE1 3.07Å; L866-W870 VanDerWaalsContact O-CD1 3.26Å; L866-W870 PolarHBondContact O-N 3.23Å; A867-W870 PolarHBondContact O-N 3.27Å; W870-K872 VanDerWaalsContact C-N 3.3Å; W870-K872 PolarHBondContact O-N 2.81Å; W870-L873 HydrophobicContact CE3-CD2 3.93Å; W870-L873 HydrophobicContact CZ3-CD2 3.91Å; W870-L873 VanDerWaalsContact O-CB 3.25Å; W870-L873 WeakPolarHBondContact O-CB 3.36Å; W870-L873 PolarHBondContact O-N 2.95Å; W870-L873 VanDerWaalsContact O-N 3.11Å; W870-K878 WeakPolarHBondContact O-CE 3.32Å; W870-Y881 AromaticContact CH2-CD1 3.82Å; W870-Y881 HydrophobicContact CH2-CD1 3.82Å; W870-Y881 HydrophobicContact CH2-CD2 4.1Å; W870-Y881 AromaticContact CH2-CE1 3.8Å; W870-Y881 HydrophobicContact CH2-CE1 3.8Å; W870-Y881 HydrophobicContact CH2-CE2 4.08Å; W870-Y881 AromaticContact CH2-CG 3.98Å; W870-Y881 HydrophobicContact CH2-CG 3.98Å; W870-Y881 AromaticContact CH2-CZ 3.94Å; W870-Y881 AromaticContact CZ3-CD1 3.75Å; W870-Y881 HydrophobicContact CZ3-CD1 3.75Å; W870-Y881 HydrophobicContact CZ3-CE1 4.13Å; W870-Y881 AromaticContact CZ3-CG 3.98Å; W870-Y881 HydrophobicContact CZ3-CG 3.98Å |
| 871 | E | 94.8 | Very high | 94.2 | Very high | 137 Ų | 137 | 59.1 Ų | 59.1 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.8 | -44 | 179.2 | -172.2 | -173.6 | 168 | 0 | 0 | 111.4 | A867 L873 K878 | A867-E871 VanDerWaalsContact O-CB 3.24Å; A867-E871 WeakPolarHBondContact O-CB 3.5Å; A867-E871 PolarHBondContact O-N 3.03Å; E871-L873 VanDerWaalsContact C-N 3.27Å; E871-L873 PolarHBondContact O-N 3.42Å; E871-K878 PolarHBondContact O-NZ 2.86Å |
| 872 | K | 97.1 | Very high | 94.1 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 60% | 0.596 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.2 | 180 | -69.4 | -170.2 | 177.8 | -165.9 | 0 | 114.8 | L825 V829 L868 W870 | L825-K872 HydrophobicContact CD2-CD 4.08Å; V829-K872 HydrophobicContact CG2-CB 3.92Å; L868-K872 WeakPolarHBondContact O-CG 3.33Å; W870-K872 VanDerWaalsContact C-N 3.3Å; W870-K872 PolarHBondContact O-N 2.81Å |
| 873 | L | 97.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -69.2 | 132.7 | 174.7 | -172.9 | 69.3 | 0 | 0 | 0 | 109.9 | V829 L832 K833 I836 T869 W870 E871 S875 F877 K878 | V829-L873 HydrophobicContact CG1-CD1 4.33Å; L832-L873 HydrophobicContact CB-CD1 4.03Å; K833-L873 HydrophobicContact CB-CD1 4.22Å; I836-L873 HydrophobicContact CD1-CD2 3.85Å; T869-L873 PolarHBondContact O-N 3.09Å; W870-L873 HydrophobicContact CE3-CD2 3.93Å; W870-L873 HydrophobicContact CZ3-CD2 3.91Å; W870-L873 VanDerWaalsContact O-CB 3.25Å; W870-L873 WeakPolarHBondContact O-CB 3.36Å; W870-L873 PolarHBondContact O-N 2.95Å; W870-L873 VanDerWaalsContact O-N 3.11Å; E871-L873 VanDerWaalsContact C-N 3.27Å; E871-L873 PolarHBondContact O-N 3.42Å; L873-S875 PolarHBondContact O-N 3.48Å; L873-F877 HydrophobicContact CD1-CB 4.03Å; L873-F877 HydrophobicContact CD2-CB 3.97Å; L873-F877 HydrophobicContact CG-CB 3.93Å; L873-K878 HydrophobicContact CB-CG 4.24Å; L873-K878 HydrophobicContact CD2-CG 4.02Å; L873-K878 HydrophobicContact CG-CG 4.32Å; L873-K878 VanDerWaalsContact O-CE 3.22Å; L873-K878 WeakPolarHBondContact O-CE 3.41Å |
| 874 | P | 96.4 | Very high | 93.6 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 41% | 0.409 | 30% | 0.302 | S | S | . | . | trans | -58.8 | 139.8 | 177.8 | -22.9 | 32.7 | 0 | 0 | 0 | 112 | K876 F877 K878 | P874-K876 PolarHBondContact O-N 2.85Å; P874-K876 VanDerWaalsContact O-N 3.09Å; P874-F877 HydrophobicContact CB-CD2 4.16Å; P874-F877 HydrophobicContact CG-CD2 4.3Å; P874-F877 PolarHBondContact O-N 3.26Å; P874-K878 PolarHBondContact O-N 2.88Å | ||
| 875 | S | 89.3 | Confident | 93.3 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 69% | 0.692 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -50.9 | -38.3 | -175.4 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | L873 F877 K878 K879 | L873-S875 PolarHBondContact O-N 3.48Å; S875-F877 VanDerWaalsContact C-N 3.27Å; S875-F877 PolarHBondContact O-N 3.23Å; S875-K878 WeakPolarHBondContact O-CB 3.28Å; S875-K878 PolarHBondContact O-N 3.23Å; S875-K879 PolarHBondContact O-N 2.99Å |
| 876 | K | 91.7 | Very high | 92.9 | Very high | 133 Ų | 133 | 58.2 Ų | 58.2 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -50.9 | -43.6 | 173.5 | -178.1 | 177.4 | -179 | 172.2 | 0 | 113.2 | P874 F880 | P874-K876 PolarHBondContact O-N 2.85Å; P874-K876 VanDerWaalsContact O-N 3.09Å; K876-F880 HydrophobicContact CG-CE2 4.18Å; K876-F880 HydrophobicContact CG-CZ 4.47Å; K876-F880 PolarHBondContact O-N 3.42Å |
| 877 | F | 95 | Very high | 92.6 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -82.8 | -29.1 | -178.4 | -66.7 | -78.5 | 0 | 0 | 0 | 112.5 | K833 I836 K837 L873 P874 S875 K879 F880 Y881 | K833-F877 HydrophobicContact CD-CD2 4.21Å; K833-F877 HydrophobicContact CD-CE2 3.73Å; K833-F877 HydrophobicContact CD-CZ 3.99Å; K833-F877 HydrophobicContact CG-CD1 4.1Å; K833-F877 HydrophobicContact CG-CD2 3.97Å; K833-F877 HydrophobicContact CG-CE1 3.84Å; K833-F877 HydrophobicContact CG-CE2 3.71Å; K833-F877 HydrophobicContact CG-CG 4.18Å; K833-F877 HydrophobicContact CG-CZ 3.65Å; I836-F877 HydrophobicContact CB-CD1 4.45Å; I836-F877 HydrophobicContact CD1-CB 4.15Å; I836-F877 HydrophobicContact CG2-CD1 4Å; K837-F877 HydrophobicContact CD-CE1 4.38Å; K837-F877 HydrophobicContact CG-CE1 3.84Å; L873-F877 HydrophobicContact CD1-CB 4.03Å; L873-F877 HydrophobicContact CD2-CB 3.97Å; L873-F877 HydrophobicContact CG-CB 3.93Å; P874-F877 HydrophobicContact CB-CD2 4.16Å; P874-F877 HydrophobicContact CG-CD2 4.3Å; P874-F877 PolarHBondContact O-N 3.26Å; S875-F877 VanDerWaalsContact C-N 3.27Å; S875-F877 PolarHBondContact O-N 3.23Å; F877-K879 VanDerWaalsContact C-N 3.32Å; F877-F880 HydrophobicContact CD1-CD2 4.19Å; F877-F880 HydrophobicContact CE1-CD2 4.48Å; F877-F880 PolarHBondContact O-N 3.34Å; F877-Y881 WeakPolarHBondContact O-CB 3.43Å; F877-Y881 PolarHBondContact O-N 3.49Å |
| 878 | K | 90.6 | Very high | 92.1 | Very high | 86 Ų | 86 | 57.2 Ų | 57.2 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 168 | -68.1 | -178.4 | 177 | 172 | 0 | 110.5 | W870 E871 L873 P874 S875 Y881 A882 | W870-K878 WeakPolarHBondContact O-CE 3.32Å; E871-K878 PolarHBondContact O-NZ 2.86Å; L873-K878 HydrophobicContact CB-CG 4.24Å; L873-K878 HydrophobicContact CD2-CG 4.02Å; L873-K878 HydrophobicContact CG-CG 4.32Å; L873-K878 VanDerWaalsContact O-CE 3.22Å; L873-K878 WeakPolarHBondContact O-CE 3.41Å; P874-K878 PolarHBondContact O-N 2.88Å; S875-K878 WeakPolarHBondContact O-CB 3.28Å; S875-K878 PolarHBondContact O-N 3.23Å; K878-Y881 PolarHBondContact O-N 2.81Å; K878-A882 WeakPolarHBondContact O-CB 3.38Å; K878-A882 PolarHBondContact O-N 3.32Å |
| 879 | K | 87.6 | Confident | 91.5 | Very high | 94 Ų | 94 | 54 Ų | 54 | 41% | 0.409 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 176.4 | -172.3 | 178.3 | 178.8 | -178.9 | 0 | 112.3 | S875 F877 Y881 A882 E883 | S875-K879 PolarHBondContact O-N 2.99Å; F877-K879 VanDerWaalsContact C-N 3.32Å; K879-Y881 VanDerWaalsContact C-N 3.32Å; K879-Y881 PolarHBondContact O-N 2.87Å; K879-A882 PolarHBondContact O-N 2.75Å; K879-E883 VanDerWaalsContact CE-OE1 3.23Å; K879-E883 WeakPolarHBondContact CE-OE1 3.25Å; K879-E883 WeakPolarHBondContact O-CG 3.42Å; K879-E883 PolarHBondContact O-N 2.92Å |
| 880 | F | 91.8 | Very high | 90.8 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 176 | -73 | -24.3 | 0 | 0 | 0 | 112.9 | I836 K876 F877 E883 F884 | I836-F880 HydrophobicContact CG2-CB 4Å; K876-F880 HydrophobicContact CG-CE2 4.18Å; K876-F880 HydrophobicContact CG-CZ 4.47Å; K876-F880 PolarHBondContact O-N 3.42Å; F877-F880 HydrophobicContact CD1-CD2 4.19Å; F877-F880 HydrophobicContact CE1-CD2 4.48Å; F877-F880 PolarHBondContact O-N 3.34Å; F880-E883 PolarHBondContact O-N 3.19Å; F880-F884 HydrophobicContact CB-CZ 4.38Å; F880-F884 WeakPolarHBondContact O-CD1 3.31Å; F880-F884 WeakPolarHBondContact O-CG 3.41Å; F880-F884 PolarHBondContact O-N 3.15Å |
| 881 | Y | 93.5 | Very high | 89.9 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 178.9 | 177 | -101.3 | 0 | 0 | 0 | 112.3 | V855 L858 S859 W870 F877 K878 K879 E883 F884 E885 | V855-Y881 HydrophobicContact CG1-CE2 4.14Å; L858-Y881 HydrophobicContact CB-CD2 4.3Å; L858-Y881 HydrophobicContact CB-CE2 3.55Å; L858-Y881 HydrophobicContact CD1-CD2 3.87Å; L858-Y881 HydrophobicContact CD1-CE2 3.93Å; L858-Y881 HydrophobicContact CG-CE2 4.4Å; S859-Y881 WeakPolarHBondContact CA-OH 3.31Å; S859-Y881 PolarHBondContact N-OH 2.7Å; S859-Y881 PolarHBondContact OG-OH 2.79Å; W870-Y881 AromaticContact CH2-CD1 3.82Å; W870-Y881 HydrophobicContact CH2-CD1 3.82Å; W870-Y881 HydrophobicContact CH2-CD2 4.1Å; W870-Y881 AromaticContact CH2-CE1 3.8Å; W870-Y881 HydrophobicContact CH2-CE1 3.8Å; W870-Y881 HydrophobicContact CH2-CE2 4.08Å; W870-Y881 AromaticContact CH2-CG 3.98Å; W870-Y881 HydrophobicContact CH2-CG 3.98Å; W870-Y881 AromaticContact CH2-CZ 3.94Å; W870-Y881 AromaticContact CZ3-CD1 3.75Å; W870-Y881 HydrophobicContact CZ3-CD1 3.75Å; W870-Y881 HydrophobicContact CZ3-CE1 4.13Å; W870-Y881 AromaticContact CZ3-CG 3.98Å; W870-Y881 HydrophobicContact CZ3-CG 3.98Å; F877-Y881 WeakPolarHBondContact O-CB 3.43Å; F877-Y881 PolarHBondContact O-N 3.49Å; K878-Y881 PolarHBondContact O-N 2.81Å; K879-Y881 VanDerWaalsContact C-N 3.32Å; K879-Y881 PolarHBondContact O-N 2.87Å; Y881-E883 VanDerWaalsContact C-N 3.32Å; Y881-E883 PolarHBondContact O-N 2.8Å; Y881-F884 WeakPolarHBondContact O-CA 3.36Å; Y881-F884 WeakPolarHBondContact O-CB 3.36Å; Y881-F884 PolarHBondContact O-N 2.96Å; Y881-E885 PolarHBondContact O-N 3.32Å |
| 882 | A | 88 | Confident | 89.3 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q301 K878 K879 F884 E885 S886 | Q301-A882 HydrophobicContact CG-CB 4.39Å; K878-A882 WeakPolarHBondContact O-CB 3.38Å; K878-A882 PolarHBondContact O-N 3.32Å; K879-A882 PolarHBondContact O-N 2.75Å; A882-F884 VanDerWaalsContact C-N 3.32Å; A882-F884 PolarHBondContact O-N 3.25Å; A882-E885 PolarHBondContact O-N 3.37Å; A882-S886 PolarHBondContact O-N 3.34Å |
| 883 | E | 88.1 | Confident | 88.8 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 171.4 | -72.7 | 171.5 | -162.7 | 0 | 0 | 111.3 | P238 K879 F880 Y881 S886 L887 | P238-E883 HydrophobicContact CG-CB 4.32Å; P238-E883 HydrophobicContact CG-CG 4.01Å; K879-E883 VanDerWaalsContact CE-OE1 3.23Å; K879-E883 WeakPolarHBondContact CE-OE1 3.25Å; K879-E883 WeakPolarHBondContact O-CG 3.42Å; K879-E883 PolarHBondContact O-N 2.92Å; F880-E883 PolarHBondContact O-N 3.19Å; Y881-E883 VanDerWaalsContact C-N 3.32Å; Y881-E883 PolarHBondContact O-N 2.8Å; E883-S886 PolarHBondContact O-N 3.13Å; E883-S886 PolarHBondContact O-OG 2.9Å; E883-L887 WeakPolarHBondContact O-CD1 3.43Å; E883-L887 PolarHBondContact O-N 3.12Å |
| 884 | F | 92.9 | Very high | 88.4 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 178.4 | -63.2 | -8.9 | 0 | 0 | 0 | 112.7 | I836 A839 A840 F851 V855 F880 Y881 A882 S886 L887 | I836-F884 HydrophobicContact CG2-CE2 3.95Å; A839-F884 HydrophobicContact CB-CD2 4.33Å; A839-F884 HydrophobicContact CB-CE2 4.02Å; A840-F884 HydrophobicContact CB-CE2 4.45Å; A840-F884 HydrophobicContact CB-CZ 3.88Å; F851-F884 HydrophobicContact CE2-CB 3.98Å; F851-F884 AromaticContact CE2-CD1 3.67Å; F851-F884 HydrophobicContact CE2-CD1 3.67Å; F851-F884 AromaticContact CE2-CD2 3.71Å; F851-F884 HydrophobicContact CE2-CD2 3.71Å; F851-F884 HydrophobicContact CE2-CE1 4.03Å; F851-F884 HydrophobicContact CE2-CE2 4.05Å; F851-F884 AromaticContact CE2-CG 3.5Å; F851-F884 HydrophobicContact CE2-CG 3.5Å; F851-F884 HydrophobicContact CE2-CZ 4.21Å; F851-F884 HydrophobicContact CZ-CB 3.72Å; F851-F884 AromaticContact CZ-CD1 3.8Å; F851-F884 HydrophobicContact CZ-CD1 3.8Å; F851-F884 HydrophobicContact CZ-CD2 4.33Å; F851-F884 AromaticContact CZ-CG 3.7Å; F851-F884 HydrophobicContact CZ-CG 3.7Å; V855-F884 HydrophobicContact CG1-CB 4.18Å; V855-F884 HydrophobicContact CG2-CB 3.8Å; V855-F884 HydrophobicContact CG2-CD2 4.06Å; V855-F884 HydrophobicContact CG2-CG 4.3Å; F880-F884 HydrophobicContact CB-CZ 4.38Å; F880-F884 WeakPolarHBondContact O-CD1 3.31Å; F880-F884 WeakPolarHBondContact O-CG 3.41Å; F880-F884 PolarHBondContact O-N 3.15Å; Y881-F884 WeakPolarHBondContact O-CA 3.36Å; Y881-F884 WeakPolarHBondContact O-CB 3.36Å; Y881-F884 PolarHBondContact O-N 2.96Å; A882-F884 VanDerWaalsContact C-N 3.32Å; A882-F884 PolarHBondContact O-N 3.25Å; F884-S886 VanDerWaalsContact C-N 3.35Å; F884-L887 WeakPolarHBondContact O-CB 3.37Å; F884-L887 PolarHBondContact O-N 2.78Å |
| 885 | E | 88.3 | Confident | 88 | Confident | 90 Ų | 90 | 50.6 Ų | 50.6 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 177.9 | -169.5 | 163.3 | -139.8 | 0 | 0 | 111.7 | Y881 A882 L887 M888 | Y881-E885 PolarHBondContact O-N 3.32Å; A882-E885 PolarHBondContact O-N 3.37Å; E885-L887 PolarHBondContact O-N 2.71Å; E885-M888 HydrophobicContact CG-CE 4.11Å; E885-M888 WeakPolarHBondContact O-CB 3.42Å; E885-M888 PolarHBondContact O-N 2.86Å |
| 886 | S | 86.1 | Confident | 87.9 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -27.7 | 174.9 | 76.1 | 0 | 0 | 0 | 0 | 113.8 | A882 E883 F884 M888 D889 | A882-S886 PolarHBondContact O-N 3.34Å; E883-S886 PolarHBondContact O-N 3.13Å; E883-S886 PolarHBondContact O-OG 2.9Å; F884-S886 VanDerWaalsContact C-N 3.35Å; S886-M888 PolarHBondContact O-N 3.33Å; S886-D889 WeakPolarHBondContact O-CB 3.46Å; S886-D889 PolarHBondContact O-N 2.86Å |
| 887 | L | 89.3 | Confident | 88 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -18.1 | 174.2 | -87.8 | 78.5 | 0 | 0 | 0 | 112.9 | F851 F852 E883 F884 E885 T900 | F851-L887 HydrophobicContact CE1-CD2 4.31Å; F852-L887 HydrophobicContact CE1-CB 4.07Å; F852-L887 HydrophobicContact CZ-CB 4.13Å; E883-L887 WeakPolarHBondContact O-CD1 3.43Å; E883-L887 PolarHBondContact O-N 3.12Å; F884-L887 WeakPolarHBondContact O-CB 3.37Å; F884-L887 PolarHBondContact O-N 2.78Å; E885-L887 PolarHBondContact O-N 2.71Å; L887-T900 HydrophobicContact CD2-CG2 4.18Å |
| 888 | M | 86 | Confident | 87.8 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -2.6 | 177.1 | -62.4 | -166.3 | -55.2 | 0 | 0 | 113.4 | F852 V855 M856 E885 S886 P890 | F852-M888 HydrophobicContact CD1-CG 3.4Å; F852-M888 VanDerWaalsContact CD1-CG 3.4Å; F852-M888 HydrophobicContact CD1-SD 3.93Å; F852-M888 HydrophobicContact CE1-CB 4.42Å; F852-M888 HydrophobicContact CE1-CG 3.4Å; F852-M888 VanDerWaalsContact CE1-CG 3.4Å; V855-M888 HydrophobicContact CB-CE 4.48Å; V855-M888 HydrophobicContact CB-SD 4.11Å; V855-M888 HydrophobicContact CG1-CE 3.46Å; V855-M888 VanDerWaalsContact CG1-CE 3.46Å; V855-M888 HydrophobicContact CG1-CG 4.48Å; V855-M888 HydrophobicContact CG1-SD 3.64Å; M856-M888 HydrophobicContact CG-SD 3.59Å; M856-M888 VanDerWaalsContact CG-SD 3.59Å; E885-M888 HydrophobicContact CG-CE 4.11Å; E885-M888 WeakPolarHBondContact O-CB 3.42Å; E885-M888 PolarHBondContact O-N 2.86Å; S886-M888 PolarHBondContact O-N 3.33Å; M888-P890 WeakPolarHBondContact O-CD 3.5Å; M888-P890 VanDerWaalsContact O-N 3.13Å |
| 889 | D | 82.8 | Confident | 87.7 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | trans | -52.7 | 118.2 | -177.4 | -178.8 | 10 | 0 | 0 | 0 | 110.7 | L305 Q309 S886 S891 H894 | L305-D889 HydrophobicContact CD1-CB 4.47Å; Q309-D889 PolarHBondContact NE2-OD2 3.41Å; S886-D889 WeakPolarHBondContact O-CB 3.46Å; S886-D889 PolarHBondContact O-N 2.86Å; D889-S891 PolarHBondContact O-N 2.99Å; D889-S891 VanDerWaalsContact OD1-CB 3.23Å; D889-S891 WeakPolarHBondContact OD1-CB 3.47Å; D889-S891 PolarHBondContact OD1-N 3.33Å; D889-S891 PolarHBondContact OD1-OG 3.43Å; D889-S891 WeakPolarHBondContact OD2-CB 3.26Å; D889-S891 PolarHBondContact OD2-OG 2.86Å; D889-H894 WeakPolarHBondContact O-CA 3.48Å | ||
| 890 | P | 82.7 | Confident | 87.8 | Confident | 81 Ų | 81 | 38.8 Ų | 38.8 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | trans | -74.2 | -11.5 | -179.9 | 31.5 | -36.6 | 0 | 0 | 0 | 113.5 | M888 N893 H894 | M888-P890 WeakPolarHBondContact O-CD 3.5Å; M888-P890 VanDerWaalsContact O-N 3.13Å; P890-N893 PolarHBondContact O-N 2.7Å; P890-H894 PolarHBondContact O-N 3.16Å; P890-H894 VanDerWaalsContact O-N 3.11Å | ||
| 891 | S | 79.2 | Confident | 87.8 | Confident | 44 Ų | 44 | 35.6 Ų | 35.6 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -52.5 | 139.8 | -177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | D889 N893 H894 R895 | D889-S891 PolarHBondContact O-N 2.99Å; D889-S891 VanDerWaalsContact OD1-CB 3.23Å; D889-S891 WeakPolarHBondContact OD1-CB 3.47Å; D889-S891 PolarHBondContact OD1-N 3.33Å; D889-S891 PolarHBondContact OD1-OG 3.43Å; D889-S891 WeakPolarHBondContact OD2-CB 3.26Å; D889-S891 PolarHBondContact OD2-OG 2.86Å; S891-N893 PolarHBondContact O-N 2.86Å; S891-H894 PolarHBondContact O-N 3.28Å; S891-R895 PolarHBondContact O-N 3.04Å |
| 892 | R | 81.8 | Confident | 87.6 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | 52 | 43.9 | 179.4 | -64.9 | 150.7 | 164.1 | -88.8 | -1.7 | 112.2 | Q309 D313 E338 H341 R895 | Q309-R892 PolarHBondContact O-NE 3.43Å; D313-R892 VanDerWaalsContact N-NH2 3.15Å; D313-R892 IonicContact OD1-NH2 3.6Å; D313-R892 PolarHBondContact OD1-NH2 3.02Å; D313-R892 VanDerWaalsContact OD1-NH2 3.14Å; D313-R892 IonicContact OD2-CZ 2.89Å; D313-R892 IonicContact OD2-NH2 3.25Å; D313-R892 PolarHBondContact OD2-NH2 3.34Å; E338-R892 IonicContact OE1-CZ 3.75Å; E338-R892 IonicContact OE1-NH1 3.56Å; E338-R892 PolarHBondContact OE1-NH1 2.89Å; E338-R892 IonicContact OE2-CZ 3.67Å; E338-R892 IonicContact OE2-NH1 2.71Å; E338-R892 PolarHBondContact OE2-NH1 3.37Å; E338-R892 IonicContact OE2-NH2 3.83Å; E338-R892 PolarHBondContact OE2-NH2 3.49Å; H341-R892 VanDerWaalsContact CE1-C 3.5Å; H341-R892 PolarHBondContact CE1-O 3.26Å; R892-R895 HydrophobicContact CB-CB 4.05Å |
| 893 | N | 86.3 | Confident | 87.7 | Confident | 75 Ų | 75 | 43.1 Ų | 43.1 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | 56.8 | 54.2 | -178.1 | -171.5 | 15.5 | 0 | 0 | 0 | 113.3 | P890 S891 R895 R898 | P890-N893 PolarHBondContact O-N 2.7Å; S891-N893 PolarHBondContact O-N 2.86Å; N893-R895 PolarHBondContact O-N 3.35Å; N893-R898 PolarHBondContact ND2-NH2 3.18Å; N893-R898 VanDerWaalsContact ND2-NH2 3.15Å; N893-R898 PolarHBondContact O-NE 2.83Å; N893-R898 PolarHBondContact OD1-NH2 3.39Å |
| 894 | H | 88.9 | Confident | 87.9 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | 57.5 | 43.4 | 179.5 | -63.3 | -92.7 | 0 | 0 | 0 | 113.6 | D889 P890 S891 A896 Y897 R898 L914 | D889-H894 WeakPolarHBondContact O-CA 3.48Å; P890-H894 PolarHBondContact O-N 3.16Å; P890-H894 VanDerWaalsContact O-N 3.11Å; S891-H894 PolarHBondContact O-N 3.28Å; H894-A896 VanDerWaalsContact C-N 3.28Å; H894-A896 PolarHBondContact O-N 2.89Å; H894-Y897 PolarHBondContact O-N 2.92Å; H894-Y897 VanDerWaalsContact O-N 3.17Å; H894-R898 WeakPolarHBondContact O-CG 3.35Å; H894-R898 PolarHBondContact O-N 3.29Å; H894-L914 HydrophobicContact CB-CD1 4.47Å; H894-L914 HydrophobicContact CB-CD2 3.6Å; H894-L914 WeakPolarHBondContact CD2-CD1 3.36Å |
| 895 | R | 87.7 | Confident | 87.9 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 21% | 0.211 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.7 | -41.8 | -176.8 | -176.7 | 176.7 | 178.7 | 88.2 | -0.2 | 112.5 | E337 S891 R892 N893 Y897 R898 L899 | E337-R895 IonicContact OE2-CZ 3.01Å; E337-R895 IonicContact OE2-NH1 2.9Å; E337-R895 PolarHBondContact OE2-NH1 3Å; E337-R895 IonicContact OE2-NH2 2.89Å; E337-R895 PolarHBondContact OE2-NH2 3Å; S891-R895 PolarHBondContact O-N 3.04Å; R892-R895 HydrophobicContact CB-CB 4.05Å; N893-R895 PolarHBondContact O-N 3.35Å; R895-Y897 PolarHBondContact O-N 3.46Å; R895-R898 PolarHBondContact O-N 2.97Å; R895-L899 HydrophobicContact CG-CD1 3.81Å; R895-L899 HydrophobicContact CG-CG 4.05Å; R895-L899 WeakPolarHBondContact O-CB 3.14Å; R895-L899 WeakPolarHBondContact O-CG 3.48Å; R895-L899 PolarHBondContact O-N 3.09Å |
| 896 | A | 88.3 | Confident | 88.2 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.5 | -48.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H894 T900 | H894-A896 VanDerWaalsContact C-N 3.28Å; H894-A896 PolarHBondContact O-N 2.89Å; A896-T900 PolarHBondContact O-N 3.36Å; A896-T900 VanDerWaalsContact O-N 3.11Å; A896-T900 PolarHBondContact O-OG1 3.45Å |
| 897 | Y | 92.5 | Very high | 88.7 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 173.5 | 164.6 | -101.2 | 0 | 0 | 0 | 111.8 | L848 F852 H894 R895 L899 T900 V901 P910 F911 L914 | L848-Y897 HydrophobicContact CD1-CE2 3.94Å; F852-Y897 AromaticContact CE2-CD2 3.49Å; F852-Y897 HydrophobicContact CE2-CD2 3.49Å; F852-Y897 VanDerWaalsContact CE2-CD2 3.49Å; F852-Y897 AromaticContact CE2-CE2 3.84Å; F852-Y897 HydrophobicContact CE2-CE2 3.84Å; F852-Y897 AromaticContact CZ-CD2 3.84Å; F852-Y897 HydrophobicContact CZ-CD2 3.84Å; H894-Y897 PolarHBondContact O-N 2.92Å; H894-Y897 VanDerWaalsContact O-N 3.17Å; R895-Y897 PolarHBondContact O-N 3.46Å; Y897-L899 VanDerWaalsContact C-N 3.35Å; Y897-L899 PolarHBondContact O-N 3.44Å; Y897-T900 WeakPolarHBondContact O-CB 3.45Å; Y897-T900 PolarHBondContact O-N 3.06Å; Y897-T900 VanDerWaalsContact O-N 3.1Å; Y897-V901 HydrophobicContact CD1-CG2 4.36Å; Y897-V901 HydrophobicContact CD2-CG2 3.69Å; Y897-V901 HydrophobicContact CE1-CG2 3.96Å; Y897-V901 HydrophobicContact CE2-CG2 3.24Å; Y897-V901 HydrophobicContact CG-CG2 4.25Å; Y897-V901 WeakPolarHBondContact O-CG2 3.41Å; Y897-V901 PolarHBondContact O-N 3Å; Y897-P910 WeakPolarHBondContact OH-CB 3.23Å; Y897-F911 HydrophobicContact CD2-CB 4.21Å; Y897-F911 HydrophobicContact CE1-CB 4.44Å; Y897-F911 HydrophobicContact CE2-CB 3.47Å; Y897-F911 VanDerWaalsContact CE2-CB 3.47Å; Y897-F911 PolarHBondContact OH-N 3.44Å; Y897-L914 HydrophobicContact CD1-CD2 3.39Å; Y897-L914 HydrophobicContact CE1-CD2 3.66Å; Y897-L914 HydrophobicContact CG-CD2 4.17Å |
| 898 | R | 91.8 | Very high | 89 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -42.9 | -176.1 | -66.9 | -171.8 | -168.5 | -83.4 | -3.6 | 112 | N893 H894 R895 T900 V901 A902 D918 | N893-R898 PolarHBondContact ND2-NH2 3.18Å; N893-R898 VanDerWaalsContact ND2-NH2 3.15Å; N893-R898 PolarHBondContact O-NE 2.83Å; N893-R898 PolarHBondContact OD1-NH2 3.39Å; H894-R898 WeakPolarHBondContact O-CG 3.35Å; H894-R898 PolarHBondContact O-N 3.29Å; R895-R898 PolarHBondContact O-N 2.97Å; R898-T900 VanDerWaalsContact C-N 3.35Å; R898-V901 PolarHBondContact O-N 3.45Å; R898-A902 WeakPolarHBondContact O-CB 3.46Å; R898-A902 PolarHBondContact O-N 3.13Å; R898-D918 IonicContact CZ-OD1 2.9Å; R898-D918 IonicContact CZ-OD2 2.72Å; R898-D918 IonicContact NH1-OD2 3.32Å; R898-D918 PolarHBondContact NH1-OD2 3.46Å; R898-D918 IonicContact NH2-OD1 2.73Å; R898-D918 PolarHBondContact NH2-OD1 3.49Å; R898-D918 IonicContact NH2-OD2 3.4Å; R898-D918 PolarHBondContact NH2-OD2 3.04Å |
| 899 | L | 88.2 | Confident | 89.6 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 175.3 | -69.1 | 176.5 | 0 | 0 | 0 | 112.2 | H241 R895 Y897 | H241-L899 HydrophobicContact CB-CB 4.32Å; H241-L899 HydrophobicContact CB-CD1 4.39Å; R895-L899 HydrophobicContact CG-CD1 3.81Å; R895-L899 HydrophobicContact CG-CG 4.05Å; R895-L899 WeakPolarHBondContact O-CB 3.14Å; R895-L899 WeakPolarHBondContact O-CG 3.48Å; R895-L899 PolarHBondContact O-N 3.09Å; Y897-L899 VanDerWaalsContact C-N 3.35Å; Y897-L899 PolarHBondContact O-N 3.44Å |
| 900 | T | 89.4 | Confident | 90.3 | Very high | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.129 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 173.7 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | H241 L887 A896 Y897 R898 K903 L904 | H241-T900 PolarHBondContact NE2-OG1 3.26Å; H241-T900 VanDerWaalsContact NE2-OG1 3.14Å; L887-T900 HydrophobicContact CD2-CG2 4.18Å; A896-T900 PolarHBondContact O-N 3.36Å; A896-T900 VanDerWaalsContact O-N 3.11Å; A896-T900 PolarHBondContact O-OG1 3.45Å; Y897-T900 WeakPolarHBondContact O-CB 3.45Å; Y897-T900 PolarHBondContact O-N 3.06Å; Y897-T900 VanDerWaalsContact O-N 3.1Å; R898-T900 VanDerWaalsContact C-N 3.35Å; T900-K903 PolarHBondContact O-N 2.91Å; T900-L904 WeakPolarHBondContact O-CG 3.27Å |
| 901 | V | 92.2 | Very high | 91 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | L848 Y897 R898 K903 L904 L908 Y952 | L848-V901 HydrophobicContact CD1-CG2 3.44Å; L848-V901 VanDerWaalsContact CD1-CG2 3.44Å; Y897-V901 HydrophobicContact CD1-CG2 4.36Å; Y897-V901 HydrophobicContact CD2-CG2 3.69Å; Y897-V901 HydrophobicContact CE1-CG2 3.96Å; Y897-V901 HydrophobicContact CE2-CG2 3.24Å; Y897-V901 HydrophobicContact CG-CG2 4.25Å; Y897-V901 WeakPolarHBondContact O-CG2 3.41Å; Y897-V901 PolarHBondContact O-N 3Å; R898-V901 PolarHBondContact O-N 3.45Å; V901-K903 PolarHBondContact O-N 3.25Å; V901-K903 VanDerWaalsContact O-N 3.08Å; V901-L904 PolarHBondContact O-N 3.16Å; V901-L908 HydrophobicContact CG1-CD1 4.07Å; V901-Y952 HydrophobicContact CG1-CE1 3.84Å; V901-Y952 VanDerWaalsContact CG1-OH 3.24Å; V901-Y952 WeakPolarHBondContact CG1-OH 3.4Å |
| 902 | A | 89.7 | Confident | 91.8 | Very high | 82 Ų | 82 | 37.5 Ų | 37.5 | 68% | 0.678 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -60.7 | -19.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R898 | R898-A902 WeakPolarHBondContact O-CB 3.46Å; R898-A902 PolarHBondContact O-N 3.13Å |
| 903 | K | 89.4 | Confident | 92.4 | Very high | 126 Ų | 126 | 36 Ų | 36 | 55% | 0.548 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.5 | 175.7 | -69.8 | -180 | 169 | -169.7 | 0 | 114.3 | H241 T900 V901 | H241-K903 WeakPolarHBondContact O-CE 3.39Å; H241-K903 PolarHBondContact O-NZ 2.84Å; T900-K903 PolarHBondContact O-N 2.91Å; V901-K903 PolarHBondContact O-N 3.25Å; V901-K903 VanDerWaalsContact O-N 3.08Å |
| 904 | L | 91.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -98.8 | 130.8 | -177.7 | -62.3 | 177 | 0 | 0 | 0 | 109.6 | K846 L848 T900 V901 L908 | K846-L904 HydrophobicContact CD-CB 4.49Å; K846-L904 HydrophobicContact CD-CD2 4.33Å; K846-L904 HydrophobicContact CG-CD1 4.49Å; K846-L904 HydrophobicContact CG-CD2 4.34Å; L848-L904 HydrophobicContact CD1-CD1 3.99Å; L848-L904 HydrophobicContact CD2-CD1 4.49Å; L848-L904 HydrophobicContact CG-CD1 4.5Å; T900-L904 WeakPolarHBondContact O-CG 3.27Å; V901-L904 PolarHBondContact O-N 3.16Å; L904-L908 HydrophobicContact CB-CD2 4.29Å |
| 905 | E | 92.7 | Very high | 92.9 | Very high | 120 Ų | 120 | 32.6 Ų | 32.6 | 56% | 0.561 | 17% | 0.169 | S | C | * | . | P | Polyproline II helix | trans | -87.6 | 151.5 | 170.7 | -66 | -59.3 | 146.1 | 0 | 0 | 111.2 | K846 Y951 | K846-E905 PolarHBondContact NZ-O 2.99Å; E905-Y951 PolarHBondContact OE2-OH 3.32Å |
| 906 | P | 95.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 10% | 0.104 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -51.2 | 150.5 | 166.9 | -26.2 | 34.8 | 0 | 0 | 0 | 111.7 | Y951 Q955 | P906-Y951 WeakPolarHBondContact CB-O 3.38Å; P906-Y951 VanDerWaalsContact CD-OH 3.29Å; P906-Y951 WeakPolarHBondContact CD-OH 3.43Å; P906-Y951 HydrophobicContact CG-CD1 4.12Å; P906-Y951 HydrophobicContact CG-CD2 3.95Å; P906-Y951 HydrophobicContact CG-CE1 3.81Å; P906-Y951 HydrophobicContact CG-CE2 3.62Å; P906-Y951 HydrophobicContact CG-CG 4.19Å; P906-Y951 WeakPolarHBondContact CG-O 3.48Å; P906-Q955 HydrophobicContact CB-CB 4.09Å; P906-Q955 HydrophobicContact CB-CG 3.98Å |
| 907 | P | 96.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | S | Bend | cis | -74.3 | 135.3 | -1.6 | 29.9 | -36.3 | 0 | 0 | 0 | 112.3 | W773 K846 Q955 F957 | W773-P907 HydrophobicContact CH2-CB 3.8Å; W773-P907 HydrophobicContact CZ2-CB 3.49Å; W773-P907 VanDerWaalsContact CZ2-CB 3.49Å; K846-P907 WeakPolarHBondContact CE-O 3.31Å; K846-P907 PolarHBondContact NZ-O 3.28Å; K846-P907 VanDerWaalsContact NZ-O 3.13Å; P907-Q955 HydrophobicContact CB-CB 4.37Å; P907-Q955 WeakPolarHBondContact CB-O 3.43Å; P907-F957 HydrophobicContact CB-CB 4.36Å; P907-F957 HydrophobicContact CG-CD2 4.34Å |
| 908 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -146 | 153 | 171.7 | 75.4 | 108.2 | 0 | 0 | 0 | 112.9 | K846 V901 L904 Y952 | K846-L908 HydrophobicContact CB-CB 3.9Å; V901-L908 HydrophobicContact CG1-CD1 4.07Å; L904-L908 HydrophobicContact CB-CD2 4.29Å; L908-Y952 HydrophobicContact CD1-CD1 3.57Å; L908-Y952 HydrophobicContact CD1-CD2 4.08Å; L908-Y952 HydrophobicContact CD1-CE1 3.81Å; L908-Y952 HydrophobicContact CD1-CE2 4.28Å; L908-Y952 HydrophobicContact CD1-CG 3.71Å; L908-Y952 HydrophobicContact CD2-CD1 3.43Å; L908-Y952 VanDerWaalsContact CD2-CD1 3.43Å; L908-Y952 HydrophobicContact CD2-CE1 3.88Å; L908-Y952 HydrophobicContact CD2-CG 4.2Å; L908-Y952 HydrophobicContact CG-CD1 3.55Å; L908-Y952 HydrophobicContact CG-CE1 4.19Å; L908-Y952 HydrophobicContact CG-CG 3.8Å; L908-Y952 PolarHBondContact N-O 2.75Å | ||
| 909 | I | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -110.5 | 116.8 | 172.3 | -53.6 | -179.4 | 0 | 0 | 0 | 108.2 | D772 W773 F776 F804 K846 N847 L848 N849 | D772-I909 HydrophobicContact CB-CD1 3.72Å; W773-I909 HydrophobicContact CB-CD1 4.5Å; W773-I909 HydrophobicContact CD2-CD1 4.11Å; W773-I909 HydrophobicContact CD2-CG1 4.06Å; W773-I909 HydrophobicContact CG-CD1 3.88Å; W773-I909 HydrophobicContact CG-CG1 4.35Å; W773-I909 HydrophobicContact CZ2-CG1 3.92Å; F776-I909 HydrophobicContact CD1-CG1 4.24Å; F776-I909 HydrophobicContact CD1-CG2 4.4Å; F804-I909 HydrophobicContact CE1-CG2 4.41Å; F804-I909 HydrophobicContact CZ-CG2 3.67Å; K846-I909 PolarHBondContact O-N 3.49Å; N847-I909 HydrophobicContact CB-CD1 4.48Å; L848-I909 WeakPolarHBondContact CB-O 3.38Å; L848-I909 PolarHBondContact N-O 2.91Å; N849-I909 HydrophobicContact CB-CG2 3.7Å; N849-I909 PolarHBondContact N-O 3.06Å |
| 910 | P | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -76.7 | 170.6 | -174.2 | 34.7 | -39.3 | 0 | 0 | 0 | 112.6 | F776 N849 Y897 M912 L915 Y952 | F776-P910 HydrophobicContact CZ-CG 4.21Å; N849-P910 VanDerWaalsContact CB-O 3.3Å; N849-P910 WeakPolarHBondContact CB-O 3.42Å; Y897-P910 WeakPolarHBondContact OH-CB 3.23Å; P910-M912 VanDerWaalsContact C-N 3.35Å; P910-M912 HydrophobicContact CG-CG 4.43Å; P910-M912 HydrophobicContact CG-SD 3.65Å; P910-M912 PolarHBondContact O-N 3.28Å; P910-L915 HydrophobicContact CG-CD1 4.34Å; P910-Y952 HydrophobicContact CB-CD2 3.68Å; P910-Y952 HydrophobicContact CB-CE2 3.48Å; P910-Y952 VanDerWaalsContact CB-CE2 3.48Å; P910-Y952 HydrophobicContact CG-CD2 3.6Å; P910-Y952 HydrophobicContact CG-CE2 3.88Å | ||
| 911 | F | 97.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | trans | -72 | 88.9 | 167.7 | -177.4 | -151.3 | 0 | 0 | 0 | 110.1 | F808 F852 M856 Y897 P913 L914 L915 | F808-F911 AromaticContact CE2-CD2 3.9Å; F808-F911 HydrophobicContact CE2-CD2 3.9Å; F808-F911 AromaticContact CE2-CE2 3.56Å; F808-F911 HydrophobicContact CE2-CE2 3.56Å; F808-F911 HydrophobicContact CZ-CD2 4.39Å; F808-F911 AromaticContact CZ-CE2 3.61Å; F808-F911 HydrophobicContact CZ-CE2 3.61Å; F808-F911 HydrophobicContact CZ-CZ 4.49Å; F852-F911 HydrophobicContact CB-CD2 3.9Å; F852-F911 HydrophobicContact CB-CE2 4.02Å; F852-F911 HydrophobicContact CB-CG 4.42Å; F852-F911 HydrophobicContact CD2-CB 3.72Å; F852-F911 HydrophobicContact CD2-CD1 4.15Å; F852-F911 HydrophobicContact CD2-CD2 4Å; F852-F911 AromaticContact CD2-CG 3.7Å; F852-F911 HydrophobicContact CD2-CG 3.7Å; F852-F911 HydrophobicContact CE2-CB 4.05Å; F852-F911 HydrophobicContact CE2-CD1 4.43Å; F852-F911 HydrophobicContact CE2-CG 4.26Å; F852-F911 HydrophobicContact CG-CD1 4.49Å; F852-F911 HydrophobicContact CG-CD2 4.19Å; F852-F911 HydrophobicContact CG-CG 4.21Å; M856-F911 HydrophobicContact SD-CE2 4.46Å; M856-F911 HydrophobicContact SD-CZ 4.2Å; Y897-F911 HydrophobicContact CD2-CB 4.21Å; Y897-F911 HydrophobicContact CE1-CB 4.44Å; Y897-F911 HydrophobicContact CE2-CB 3.47Å; Y897-F911 VanDerWaalsContact CE2-CB 3.47Å; Y897-F911 PolarHBondContact OH-N 3.44Å; F911-P913 HydrophobicContact CD2-CB 4.44Å; F911-P913 HydrophobicContact CD2-CG 4.16Å; F911-P913 HydrophobicContact CE2-CB 3.82Å; F911-P913 HydrophobicContact CE2-CG 3.68Å; F911-P913 HydrophobicContact CZ-CB 4.16Å; F911-P913 HydrophobicContact CZ-CG 4.47Å; F911-L914 HydrophobicContact CD1-CB 3.44Å; F911-L914 VanDerWaalsContact CD1-CB 3.44Å; F911-L914 HydrophobicContact CD1-CD2 3.99Å; F911-L914 HydrophobicContact CD1-CG 4.38Å; F911-L914 HydrophobicContact CE1-CB 3.75Å; F911-L914 HydrophobicContact CE1-CD2 4.5Å; F911-L914 HydrophobicContact CG-CB 4.09Å; F911-L914 PolarHBondContact O-N 3.37Å; F911-L915 PolarHBondContact O-N 3.48Å | ||
| 912 | M | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | -170.5 | -71.8 | -62.2 | -62.2 | 0 | 0 | 115 | F776 L784 L801 F804 L805 N849 P910 L914 L915 I916 | F776-M912 HydrophobicContact CD2-SD 4.41Å; F776-M912 HydrophobicContact CE2-CE 4.46Å; F776-M912 HydrophobicContact CE2-SD 3.83Å; L784-M912 HydrophobicContact CD2-CE 4.33Å; L801-M912 HydrophobicContact CD1-CE 4.07Å; F804-M912 HydrophobicContact CD1-CE 4.32Å; F804-M912 HydrophobicContact CD1-CG 3.93Å; F804-M912 HydrophobicContact CD1-SD 4.49Å; F804-M912 HydrophobicContact CE1-CE 4.36Å; F804-M912 HydrophobicContact CE1-CG 3.34Å; F804-M912 HydrophobicContact CE1-SD 3.96Å; F804-M912 HydrophobicContact CZ-CG 4.12Å; L805-M912 HydrophobicContact CD2-CB 3.93Å; N849-M912 PolarHBondContact OD1-N 3.19Å; P910-M912 VanDerWaalsContact C-N 3.35Å; P910-M912 HydrophobicContact CG-CG 4.43Å; P910-M912 HydrophobicContact CG-SD 3.65Å; P910-M912 PolarHBondContact O-N 3.28Å; M912-L914 VanDerWaalsContact C-N 3.25Å; M912-L914 PolarHBondContact O-N 3.3Å; M912-L915 WeakPolarHBondContact O-CB 3.5Å; M912-L915 PolarHBondContact O-N 3.26Å; M912-I916 WeakPolarHBondContact O-CG1 3.32Å; M912-I916 PolarHBondContact O-N 3.3Å |
| 913 | P | 93.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.3 | -39.7 | 175.5 | -30.8 | 37.3 | 0 | 0 | 0 | 114 | A4 F808 F911 K917 | A4-P913 HydrophobicContact CB-CB 3.95Å; A4-P913 HydrophobicContact CB-CG 3.89Å; F808-P913 HydrophobicContact CD1-CG 3.98Å; F808-P913 HydrophobicContact CD2-CG 3.97Å; F808-P913 HydrophobicContact CE1-CG 4.16Å; F808-P913 HydrophobicContact CE2-CG 4.14Å; F808-P913 HydrophobicContact CG-CG 3.9Å; F808-P913 HydrophobicContact CZ-CG 4.25Å; F911-P913 HydrophobicContact CD2-CB 4.44Å; F911-P913 HydrophobicContact CD2-CG 4.16Å; F911-P913 HydrophobicContact CE2-CB 3.82Å; F911-P913 HydrophobicContact CE2-CG 3.68Å; F911-P913 HydrophobicContact CZ-CB 4.16Å; F911-P913 HydrophobicContact CZ-CG 4.47Å; P913-K917 WeakPolarHBondContact O-CB 3.23Å; P913-K917 PolarHBondContact O-N 2.88Å |
| 914 | L | 92.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.1 | -36.9 | 176.6 | 178.6 | 58.9 | 0 | 0 | 0 | 111.8 | H894 Y897 F911 M912 K917 D918 | H894-L914 HydrophobicContact CB-CD1 4.47Å; H894-L914 HydrophobicContact CB-CD2 3.6Å; H894-L914 WeakPolarHBondContact CD2-CD1 3.36Å; Y897-L914 HydrophobicContact CD1-CD2 3.39Å; Y897-L914 HydrophobicContact CE1-CD2 3.66Å; Y897-L914 HydrophobicContact CG-CD2 4.17Å; F911-L914 HydrophobicContact CD1-CB 3.44Å; F911-L914 VanDerWaalsContact CD1-CB 3.44Å; F911-L914 HydrophobicContact CD1-CD2 3.99Å; F911-L914 HydrophobicContact CD1-CG 4.38Å; F911-L914 HydrophobicContact CE1-CB 3.75Å; F911-L914 HydrophobicContact CE1-CD2 4.5Å; F911-L914 HydrophobicContact CG-CB 4.09Å; F911-L914 PolarHBondContact O-N 3.37Å; M912-L914 VanDerWaalsContact C-N 3.25Å; M912-L914 PolarHBondContact O-N 3.3Å; L914-K917 HydrophobicContact CD1-CD 4.22Å; L914-K917 WeakPolarHBondContact O-CB 3.45Å; L914-K917 PolarHBondContact O-N 3.46Å; L914-D918 PolarHBondContact O-N 3.24Å |
| 915 | L | 93.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.6 | -169.5 | 149.3 | 0 | 0 | 0 | 111.8 | L784 P910 F911 M912 K917 D918 M919 T945 V949 | L784-L915 HydrophobicContact CD2-CD2 4.42Å; P910-L915 HydrophobicContact CG-CD1 4.34Å; F911-L915 PolarHBondContact O-N 3.48Å; M912-L915 WeakPolarHBondContact O-CB 3.5Å; M912-L915 PolarHBondContact O-N 3.26Å; L915-K917 VanDerWaalsContact C-N 3.33Å; L915-D918 WeakPolarHBondContact O-CB 3.47Å; L915-D918 PolarHBondContact O-N 3.01Å; L915-M919 HydrophobicContact CD2-CG 4.48Å; L915-M919 HydrophobicContact CD2-SD 3.96Å; L915-M919 WeakPolarHBondContact O-CG 3.32Å; L915-M919 PolarHBondContact O-N 3.15Å; L915-M919 VanDerWaalsContact O-N 3.14Å; L915-T945 HydrophobicContact CD1-CG2 4.24Å; L915-T945 HydrophobicContact CD2-CG2 3.64Å; L915-T945 HydrophobicContact CG-CG2 3.57Å; L915-V949 HydrophobicContact CD1-CG2 3.48Å; L915-V949 VanDerWaalsContact CD1-CG2 3.48Å; L915-V949 HydrophobicContact CD2-CG2 4.06Å; L915-V949 HydrophobicContact CG-CG2 4.44Å |
| 916 | I | 94.4 | Very high | 91.2 | Very high | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.077 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -37.4 | 174.7 | -62.5 | -57.8 | 0 | 0 | 0 | 111.3 | L784 L801 L805 M912 M919 T920 | L784-I916 HydrophobicContact CD2-CD1 3.83Å; L801-I916 HydrophobicContact CD1-CD1 4.23Å; L801-I916 HydrophobicContact CD2-CD1 4.25Å; L805-I916 HydrophobicContact CD1-CG1 4.1Å; L805-I916 HydrophobicContact CD2-CG1 3.92Å; M912-I916 WeakPolarHBondContact O-CG1 3.32Å; M912-I916 PolarHBondContact O-N 3.3Å; I916-M919 PolarHBondContact O-N 3.19Å; I916-T920 WeakPolarHBondContact O-CB 3.41Å; I916-T920 PolarHBondContact O-N 2.9Å; I916-T920 PolarHBondContact O-OG1 3.14Å |
| 917 | K | 89.8 | Confident | 90.8 | Very high | 58 Ų | 58 | 39 Ų | 39 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 171.8 | -175.4 | -174.8 | 172.6 | -169.1 | 0 | 110.7 | V2 P913 L914 L915 M919 T920 F921 | V2-K917 HydrophobicContact CG1-CD 4.22Å; V2-K917 HydrophobicContact CG2-CD 4.23Å; P913-K917 WeakPolarHBondContact O-CB 3.23Å; P913-K917 PolarHBondContact O-N 2.88Å; L914-K917 HydrophobicContact CD1-CD 4.22Å; L914-K917 WeakPolarHBondContact O-CB 3.45Å; L914-K917 PolarHBondContact O-N 3.46Å; L915-K917 VanDerWaalsContact C-N 3.33Å; K917-M919 VanDerWaalsContact C-N 3.3Å; K917-M919 PolarHBondContact O-N 3.42Å; K917-T920 PolarHBondContact O-N 3.41Å; K917-F921 HydrophobicContact CD-CD2 4.33Å; K917-F921 HydrophobicContact CD-CE2 4Å; K917-F921 HydrophobicContact CG-CD2 3.41Å; K917-F921 VanDerWaalsContact CG-CD2 3.41Å; K917-F921 HydrophobicContact CG-CE2 3.44Å; K917-F921 VanDerWaalsContact CG-CE2 3.44Å; K917-F921 WeakPolarHBondContact O-CB 3.44Å; K917-F921 VanDerWaalsContact O-CD2 3.29Å; K917-F921 WeakPolarHBondContact O-CD2 3.48Å; K917-F921 PolarHBondContact O-N 3.18Å |
| 918 | D | 89.2 | Confident | 90.7 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.4 | -45.1 | 178.1 | -72.5 | -10.1 | 0 | 0 | 0 | 111.8 | R898 L914 L915 T922 | R898-D918 IonicContact CZ-OD1 2.9Å; R898-D918 IonicContact CZ-OD2 2.72Å; R898-D918 IonicContact NH1-OD2 3.32Å; R898-D918 PolarHBondContact NH1-OD2 3.46Å; R898-D918 IonicContact NH2-OD1 2.73Å; R898-D918 PolarHBondContact NH2-OD1 3.49Å; R898-D918 IonicContact NH2-OD2 3.4Å; R898-D918 PolarHBondContact NH2-OD2 3.04Å; L914-D918 PolarHBondContact O-N 3.24Å; L915-D918 WeakPolarHBondContact O-CB 3.47Å; L915-D918 PolarHBondContact O-N 3.01Å; D918-T922 WeakPolarHBondContact O-CB 3.38Å; D918-T922 PolarHBondContact O-N 3.44Å; D918-T922 PolarHBondContact O-OG1 3.42Å |
| 919 | M | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.9 | -62.7 | -176.2 | 76.8 | 0 | 0 | 112.5 | L784 I785 T788 L915 I916 K917 T922 H923 I942 T945 | L784-M919 HydrophobicContact CB-CE 3.73Å; L784-M919 HydrophobicContact CB-SD 3.85Å; L784-M919 HydrophobicContact CD2-SD 4.43Å; I785-M919 HydrophobicContact CD1-CE 4.04Å; T788-M919 HydrophobicContact CG2-CB 4.01Å; T788-M919 WeakPolarHBondContact CG2-O 3.36Å; T788-M919 WeakPolarHBondContact OG1-CB 3.17Å; T788-M919 WeakPolarHBondContact OG1-CE 3.41Å; L915-M919 HydrophobicContact CD2-CG 4.48Å; L915-M919 HydrophobicContact CD2-SD 3.96Å; L915-M919 WeakPolarHBondContact O-CG 3.32Å; L915-M919 PolarHBondContact O-N 3.15Å; L915-M919 VanDerWaalsContact O-N 3.14Å; I916-M919 PolarHBondContact O-N 3.19Å; K917-M919 VanDerWaalsContact C-N 3.3Å; K917-M919 PolarHBondContact O-N 3.42Å; M919-T922 PolarHBondContact O-N 3.09Å; M919-H923 WeakPolarHBondContact O-CB 3.38Å; M919-H923 PolarHBondContact O-N 2.69Å; M919-I942 HydrophobicContact CE-CG2 3.61Å; M919-T945 HydrophobicContact CG-CG2 3.54Å; M919-T945 HydrophobicContact SD-CG2 4.06Å |
| 920 | T | 86.8 | Confident | 89.8 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.5 | -48.4 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | I916 K917 T922 H923 E924 | I916-T920 WeakPolarHBondContact O-CB 3.41Å; I916-T920 PolarHBondContact O-N 2.9Å; I916-T920 PolarHBondContact O-OG1 3.14Å; K917-T920 PolarHBondContact O-N 3.41Å; T920-T922 VanDerWaalsContact C-N 3.33Å; T920-T922 PolarHBondContact O-N 3.42Å; T920-H923 WeakPolarHBondContact O-CB 3.15Å; T920-H923 PolarHBondContact O-N 3.49Å; T920-H923 VanDerWaalsContact O-N 3.08Å; T920-E924 HydrophobicContact CG2-CG 4.42Å; T920-E924 WeakPolarHBondContact O-CG 3.43Å; T920-E924 PolarHBondContact O-N 3Å |
| 921 | F | 84 | Confident | 89.3 | Confident | 129 Ų | 129 | 55 Ų | 55 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | 177 | -88.4 | -95.5 | 0 | 0 | 0 | 112 | K917 H923 G925 | K917-F921 HydrophobicContact CD-CD2 4.33Å; K917-F921 HydrophobicContact CD-CE2 4Å; K917-F921 HydrophobicContact CG-CD2 3.41Å; K917-F921 VanDerWaalsContact CG-CD2 3.41Å; K917-F921 HydrophobicContact CG-CE2 3.44Å; K917-F921 VanDerWaalsContact CG-CE2 3.44Å; K917-F921 WeakPolarHBondContact O-CB 3.44Å; K917-F921 VanDerWaalsContact O-CD2 3.29Å; K917-F921 WeakPolarHBondContact O-CD2 3.48Å; K917-F921 PolarHBondContact O-N 3.18Å; F921-H923 VanDerWaalsContact C-N 3.31Å; F921-H923 PolarHBondContact O-N 3.21Å; F921-G925 WeakPolarHBondContact O-CA 3.24Å; F921-G925 PolarHBondContact O-N 3.47Å |
| 922 | T | 84.9 | Confident | 88.9 | Confident | 23 Ų | 23 | 62 Ų | 62 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 173.9 | -58 | 0 | 0 | 0 | 0 | 111.1 | D918 M919 T920 N926 M941 I942 | D918-T922 WeakPolarHBondContact O-CB 3.38Å; D918-T922 PolarHBondContact O-N 3.44Å; D918-T922 PolarHBondContact O-OG1 3.42Å; M919-T922 PolarHBondContact O-N 3.09Å; T920-T922 VanDerWaalsContact C-N 3.33Å; T920-T922 PolarHBondContact O-N 3.42Å; T922-N926 WeakPolarHBondContact O-CB 3.38Å; T922-N926 PolarHBondContact O-N 3.12Å; T922-N926 PolarHBondContact O-ND2 2.91Å; T922-M941 HydrophobicContact CG2-CB 3.74Å; T922-M941 HydrophobicContact CG2-CE 3.98Å; T922-M941 HydrophobicContact CG2-SD 4.32Å; T922-I942 HydrophobicContact CG2-CD1 4.39Å; T922-I942 HydrophobicContact CG2-CG1 3.69Å |
| 923 | H | 92 | Very high | 88.6 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.7 | -46.2 | 178.9 | 177.9 | 74.1 | 0 | 0 | 0 | 113 | T788 F789 M919 T920 F921 K938 I942 | T788-H923 HydrophobicContact CG2-CB 3.62Å; F789-H923 AromaticContact CD1-CE1 3.29Å; F789-H923 WeakPolarHBondContact CD1-CE1 3.4Å; F789-H923 AromaticContact CD1-ND1 3.4Å; F789-H923 WeakPolarHBondContact CD1-ND1 3.24Å; F789-H923 AromaticContact CE1-CE1 3.49Å; F789-H923 VanDerWaalsContact CE1-CE1 3.49Å; F789-H923 WeakPolarHBondContact CE1-CE1 3.23Å; F789-H923 AromaticContact CE1-ND1 3.24Å; F789-H923 WeakPolarHBondContact CE1-ND1 3.24Å; F789-H923 AromaticContact CG-ND1 3.95Å; F789-H923 AromaticContact CZ-ND1 3.68Å; M919-H923 WeakPolarHBondContact O-CB 3.38Å; M919-H923 PolarHBondContact O-N 2.69Å; T920-H923 WeakPolarHBondContact O-CB 3.15Å; T920-H923 PolarHBondContact O-N 3.49Å; T920-H923 VanDerWaalsContact O-N 3.08Å; F921-H923 VanDerWaalsContact C-N 3.31Å; F921-H923 PolarHBondContact O-N 3.21Å; H923-K938 PolarHBondContact ND1-NZ 3.28Å; H923-K938 PolarHBondContact O-NZ 3.21Å; H923-I942 HydrophobicContact CB-CD1 4.41Å |
| 924 | E | 82.3 | Confident | 88.7 | Confident | 142 Ų | 142 | 62.4 Ų | 62.4 | 66% | 0.664 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -75.3 | -36.6 | -178.1 | -68.4 | 175.7 | 176.1 | 0 | 0 | 112.2 | T920 N926 | T920-E924 HydrophobicContact CG2-CG 4.42Å; T920-E924 WeakPolarHBondContact O-CG 3.43Å; T920-E924 PolarHBondContact O-N 3Å; E924-N926 VanDerWaalsContact C-N 3.35Å; E924-N926 PolarHBondContact O-N 3.28Å |
| 925 | G | 78.1 | Confident | 88.8 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 63% | 0.629 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -76.7 | -16.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F921 | F921-G925 WeakPolarHBondContact O-CA 3.24Å; F921-G925 PolarHBondContact O-N 3.47Å |
| 926 | N | 83.3 | Confident | 88.8 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -126.2 | 130.8 | -177.1 | -59.2 | -79.4 | 0 | 0 | 0 | 110.6 | T922 E924 K938 | T922-N926 WeakPolarHBondContact O-CB 3.38Å; T922-N926 PolarHBondContact O-N 3.12Å; T922-N926 PolarHBondContact O-ND2 2.91Å; E924-N926 VanDerWaalsContact C-N 3.35Å; E924-N926 PolarHBondContact O-N 3.28Å; N926-K938 HydrophobicContact CB-CB 4.17Å; N926-K938 HydrophobicContact CB-CD 3.89Å; N926-K938 HydrophobicContact CB-CG 3.94Å; N926-K938 VanDerWaalsContact O-CD 3.31Å; N926-K938 WeakPolarHBondContact O-CD 3.36Å; N926-K938 WeakPolarHBondContact O-CE 3.32Å; N926-K938 PolarHBondContact O-NZ 3.01Å |
| 927 | K | 87.4 | Confident | 88.6 | Confident | 163 Ų | 163 | 64.4 Ų | 64.4 | 71% | 0.709 | 33% | 0.332 | S | S | * | . | trans | -69.5 | 139.7 | 175.6 | -66.5 | -170.5 | 176.2 | -173.5 | 0 | 111.1 | F929 N935 | K927-F929 VanDerWaalsContact C-N 3.3Å; K927-F929 WeakPolarHBondContact CB-O 3.49Å; K927-N935 VanDerWaalsContact O-CB 3.29Å; K927-N935 WeakPolarHBondContact O-CB 3.47Å; K927-N935 PolarHBondContact O-ND2 3.2Å | ||
| 928 | T | 92.9 | Very high | 88.8 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -68.4 | -31.8 | 174.3 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | V527 N935 K938 M939 | V527-T928 HydrophobicContact CG1-CG2 3.93Å; T928-N935 WeakPolarHBondContact O-CB 3.49Å; T928-N935 PolarHBondContact O-N 3.1Å; T928-K938 PolarHBondContact OG1-NZ 3.08Å; T928-M939 HydrophobicContact CG2-CE 3.82Å |
| 929 | F | 92.6 | Very high | 89.1 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.3 | 177.4 | -60 | -87.4 | 0 | 0 | 0 | 110.8 | K927 L933 V934 | K927-F929 VanDerWaalsContact C-N 3.3Å; K927-F929 WeakPolarHBondContact CB-O 3.49Å; F929-L933 CarbonylContact C-O 3.58Å; F929-L933 WeakPolarHBondContact CA-O 3.3Å; F929-V934 HydrophobicContact CD1-CG2 4.26Å; F929-V934 HydrophobicContact CE1-CG2 3.81Å |
| 930 | I | 84.6 | Confident | 89.2 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 40% | 0.4 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 120.5 | 174.3 | -61.1 | 170.8 | 0 | 0 | 0 | 106.2 | N932 L933 N935 | I930-N932 PolarHBondContact O-N 2.94Å; I930-L933 PolarHBondContact N-O 3.43Å; I930-L933 WeakPolarHBondContact O-CA 3.41Å; I930-L933 WeakPolarHBondContact O-CB 3.4Å; I930-L933 PolarHBondContact O-N 3.41Å; I930-N935 HydrophobicContact CD1-CB 4Å; I930-N935 HydrophobicContact CG1-CB 4.19Å |
| 931 | D | 86.3 | Confident | 89.4 | Confident | 148 Ų | 148 | 64.1 Ų | 64.1 | 79% | 0.791 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 42.1 | -177.5 | -54.7 | -31.6 | 0 | 0 | 0 | 113.3 | L933 | D931-L933 PolarHBondContact O-N 2.94Å; D931-L933 VanDerWaalsContact O-N 3.15Å |
| 932 | N | 89.2 | Confident | 89.9 | Confident | 155 Ų | 155 | 58 Ų | 58 | 83% | 0.829 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 2.3 | -174.7 | -54.2 | -46.4 | 0 | 0 | 0 | 116 | I930 | I930-N932 PolarHBondContact O-N 2.94Š|
| 933 | L | 89.8 | Confident | 90.3 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 144.9 | 171 | -56.9 | -179.9 | 0 | 0 | 0 | 110.7 | D461 T492 F929 I930 D931 N935 | D461-L933 HydrophobicContact CB-CD1 4.24Å; D461-L933 WeakPolarHBondContact O-CD2 3.43Å; T492-L933 HydrophobicContact CG2-CD2 3.72Å; F929-L933 CarbonylContact C-O 3.58Å; F929-L933 WeakPolarHBondContact CA-O 3.3Å; I930-L933 PolarHBondContact N-O 3.43Å; I930-L933 WeakPolarHBondContact O-CA 3.41Å; I930-L933 WeakPolarHBondContact O-CB 3.4Å; I930-L933 PolarHBondContact O-N 3.41Å; D931-L933 PolarHBondContact O-N 2.94Å; D931-L933 VanDerWaalsContact O-N 3.15Å; L933-N935 PolarHBondContact O-N 3.08Å |
| 934 | V | 96.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 126 | 172.2 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | S490 G491 P493 I496 F528 F929 F936 M939 | S490-V934 WeakPolarHBondContact CA-O 3.48Å; S490-V934 VanDerWaalsContact CB-O 3.26Å; S490-V934 WeakPolarHBondContact CB-O 3.46Å; G491-V934 PolarHBondContact N-O 3.37Å; G491-V934 VanDerWaalsContact N-O 3.16Å; G491-V934 WeakPolarHBondContact O-CB 3.22Å; G491-V934 PolarHBondContact O-N 3.28Å; P493-V934 HydrophobicContact CG-CG2 4.06Å; I496-V934 HydrophobicContact CD1-CB 3.79Å; I496-V934 HydrophobicContact CD1-CG1 4.21Å; I496-V934 HydrophobicContact CD1-CG2 4.35Å; F528-V934 HydrophobicContact CB-CB 4.45Å; F528-V934 HydrophobicContact CB-CG1 3.87Å; F528-V934 HydrophobicContact CB-CG2 3.65Å; F528-V934 HydrophobicContact CD1-CG1 3.82Å; F528-V934 HydrophobicContact CD2-CG1 4.25Å; F528-V934 HydrophobicContact CD2-CG2 3.96Å; F528-V934 HydrophobicContact CE1-CG1 4.43Å; F528-V934 HydrophobicContact CG-CB 4.46Å; F528-V934 HydrophobicContact CG-CG1 3.72Å; F528-V934 HydrophobicContact CG-CG2 3.93Å; F929-V934 HydrophobicContact CD1-CG2 4.26Å; F929-V934 HydrophobicContact CE1-CG2 3.81Å; V934-F936 PolarHBondContact O-N 3.37Å; V934-F936 VanDerWaalsContact O-N 3.11Å; V934-M939 HydrophobicContact CG1-CG 4.29Å |
| 935 | N | 94.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 93.9 | 171.7 | -179.8 | -4.1 | 0 | 0 | 0 | 109.5 | K927 T928 I930 L933 E937 K938 M939 | K927-N935 VanDerWaalsContact O-CB 3.29Å; K927-N935 WeakPolarHBondContact O-CB 3.47Å; K927-N935 PolarHBondContact O-ND2 3.2Å; T928-N935 WeakPolarHBondContact O-CB 3.49Å; T928-N935 PolarHBondContact O-N 3.1Å; I930-N935 HydrophobicContact CD1-CB 4Å; I930-N935 HydrophobicContact CG1-CB 4.19Å; L933-N935 PolarHBondContact O-N 3.08Å; N935-E937 WeakPolarHBondContact OD1-CB 3.27Å; N935-E937 PolarHBondContact OD1-N 3.36Å; N935-K938 HydrophobicContact CB-CB 4.24Å; N935-K938 PolarHBondContact O-N 3.08Å; N935-K938 PolarHBondContact OD1-N 3.13Å; N935-K938 VanDerWaalsContact OD1-N 3.1Å; N935-M939 WeakPolarHBondContact O-CE 3.28Å; N935-M939 WeakPolarHBondContact O-CG 3.26Å; N935-M939 PolarHBondContact O-N 2.89Å |
| 936 | F | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -78 | -21.7 | -176.9 | -156.5 | -96.2 | 0 | 0 | 0 | 112.8 | V488 M489 I496 F500 D520 F521 F528 V934 M939 R940 | V488-F936 HydrophobicContact CB-CB 4.39Å; V488-F936 HydrophobicContact CB-CD1 3.89Å; V488-F936 HydrophobicContact CB-CG 4.28Å; V488-F936 HydrophobicContact CG1-CB 3.8Å; V488-F936 HydrophobicContact CG1-CD1 4.13Å; V488-F936 HydrophobicContact CG1-CG 4Å; M489-F936 WeakPolarHBondContact O-CA 3.39Å; M489-F936 PolarHBondContact O-N 2.93Å; I496-F936 HydrophobicContact CD1-CB 4.48Å; I496-F936 HydrophobicContact CD1-CD2 4.08Å; I496-F936 HydrophobicContact CG2-CD2 4Å; I496-F936 HydrophobicContact CG2-CE2 3.9Å; F500-F936 AromaticContact CE2-CE1 3.72Å; F500-F936 HydrophobicContact CE2-CE1 3.72Å; F500-F936 AromaticContact CE2-CE2 3.98Å; F500-F936 HydrophobicContact CE2-CE2 3.98Å; F500-F936 AromaticContact CE2-CZ 3.39Å; F500-F936 HydrophobicContact CE2-CZ 3.39Å; F500-F936 AromaticContact CZ-CE1 3.54Å; F500-F936 HydrophobicContact CZ-CE1 3.54Å; F500-F936 AromaticContact CZ-CZ 3.56Å; F500-F936 HydrophobicContact CZ-CZ 3.56Å; D520-F936 HydrophobicContact CB-CE1 4.04Å; D520-F936 HydrophobicContact CB-CZ 3.98Å; F521-F936 HydrophobicContact CB-CZ 4.24Å; F521-F936 HydrophobicContact CD2-CE2 4.48Å; F528-F936 HydrophobicContact CE1-CD2 4.44Å; F528-F936 HydrophobicContact CE1-CE2 4.19Å; F528-F936 HydrophobicContact CZ-CD2 4.45Å; F528-F936 HydrophobicContact CZ-CE2 4.08Å; V934-F936 PolarHBondContact O-N 3.37Å; V934-F936 VanDerWaalsContact O-N 3.11Å; F936-M939 HydrophobicContact CD2-CB 4.1Å; F936-M939 HydrophobicContact CD2-CG 4.17Å; F936-M939 HydrophobicContact CE2-CB 4.31Å; F936-M939 HydrophobicContact CG-CB 4.41Å; F936-M939 WeakPolarHBondContact O-CB 3.36Å; F936-M939 PolarHBondContact O-N 3.48Å; F936-R940 PolarHBondContact O-N 2.92Å |
| 937 | E | 90.7 | Very high | 92.3 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 168.4 | -173.9 | -177.5 | -159.1 | 0 | 0 | 110.4 | M489 N935 M939 R940 M941 | M489-E937 HydrophobicContact CE-CB 4.02Å; M489-E937 HydrophobicContact CE-CG 4.05Å; M489-E937 PolarHBondContact O-N 3.32Å; M489-E937 VanDerWaalsContact O-N 3.14Å; N935-E937 WeakPolarHBondContact OD1-CB 3.27Å; N935-E937 PolarHBondContact OD1-N 3.36Å; E937-M939 VanDerWaalsContact C-N 3.31Å; E937-M939 PolarHBondContact O-N 3.06Å; E937-R940 PolarHBondContact O-N 3.42Å; E937-M941 WeakPolarHBondContact O-CG 3.37Å; E937-M941 PolarHBondContact O-N 3.04Å |
| 938 | K | 93.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 172.9 | 177.3 | -174.2 | -178 | 173.3 | 0 | 111.7 | H923 N926 T928 N935 R940 M941 I942 | H923-K938 PolarHBondContact ND1-NZ 3.28Å; H923-K938 PolarHBondContact O-NZ 3.21Å; N926-K938 HydrophobicContact CB-CB 4.17Å; N926-K938 HydrophobicContact CB-CD 3.89Å; N926-K938 HydrophobicContact CB-CG 3.94Å; N926-K938 VanDerWaalsContact O-CD 3.31Å; N926-K938 WeakPolarHBondContact O-CD 3.36Å; N926-K938 WeakPolarHBondContact O-CE 3.32Å; N926-K938 PolarHBondContact O-NZ 3.01Å; T928-K938 PolarHBondContact OG1-NZ 3.08Å; N935-K938 HydrophobicContact CB-CB 4.24Å; N935-K938 PolarHBondContact O-N 3.08Å; N935-K938 PolarHBondContact OD1-N 3.13Å; N935-K938 VanDerWaalsContact OD1-N 3.1Å; K938-R940 VanDerWaalsContact C-N 3.34Å; K938-R940 PolarHBondContact O-N 3.42Å; K938-M941 PolarHBondContact O-N 3.37Å; K938-I942 HydrophobicContact CG-CD1 4.2Å; K938-I942 PolarHBondContact O-N 3.21Å; K938-I942 VanDerWaalsContact O-N 3.11Å |
| 939 | M | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 178.8 | -61.8 | -49.4 | 122.3 | 0 | 0 | 111 | M524 V527 F528 F789 T928 V934 N935 F936 E937 M941 I942 A943 | M524-M939 HydrophobicContact CB-CB 3.9Å; M524-M939 HydrophobicContact CB-CG 4.24Å; M524-M939 HydrophobicContact CB-SD 4.2Å; M524-M939 HydrophobicContact CE-SD 3.82Å; M524-M939 HydrophobicContact CG-CB 3.99Å; V527-M939 HydrophobicContact CB-SD 4.23Å; V527-M939 HydrophobicContact CG1-CE 4.23Å; V527-M939 HydrophobicContact CG1-SD 4.06Å; F528-M939 HydrophobicContact CD1-CG 4.25Å; F528-M939 HydrophobicContact CD1-SD 4.31Å; F528-M939 HydrophobicContact CE1-CG 4.24Å; F789-M939 HydrophobicContact CZ-CE 4.34Å; F789-M939 HydrophobicContact CZ-SD 4.41Å; T928-M939 HydrophobicContact CG2-CE 3.82Å; V934-M939 HydrophobicContact CG1-CG 4.29Å; N935-M939 WeakPolarHBondContact O-CE 3.28Å; N935-M939 WeakPolarHBondContact O-CG 3.26Å; N935-M939 PolarHBondContact O-N 2.89Å; F936-M939 HydrophobicContact CD2-CB 4.1Å; F936-M939 HydrophobicContact CD2-CG 4.17Å; F936-M939 HydrophobicContact CE2-CB 4.31Å; F936-M939 HydrophobicContact CG-CB 4.41Å; F936-M939 WeakPolarHBondContact O-CB 3.36Å; F936-M939 PolarHBondContact O-N 3.48Å; E937-M939 VanDerWaalsContact C-N 3.31Å; E937-M939 PolarHBondContact O-N 3.06Å; M939-M941 PolarHBondContact O-N 2.9Å; M939-I942 PolarHBondContact O-N 3.34Å; M939-A943 WeakPolarHBondContact O-CB 3.5Å; M939-A943 PolarHBondContact O-N 3.4Å |
| 940 | R | 93.6 | Very high | 92.9 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.7 | -175.6 | 179 | -53.7 | 131.3 | 13.5 | 112.5 | V488 D520 F936 E937 K938 I942 A943 N944 | V488-R940 PolarHBondContact O-NH2 2.86Å; D520-R940 WeakPolarHBondContact OD2-CG 3.28Å; D520-R940 IonicContact OD2-NE 2.6Å; D520-R940 PolarHBondContact OD2-NE 2.77Å; F936-R940 PolarHBondContact O-N 2.92Å; E937-R940 PolarHBondContact O-N 3.42Å; K938-R940 VanDerWaalsContact C-N 3.34Å; K938-R940 PolarHBondContact O-N 3.42Å; R940-I942 VanDerWaalsContact C-N 3.33Å; R940-I942 PolarHBondContact O-N 2.84Å; R940-A943 PolarHBondContact O-N 3.2Å; R940-N944 PolarHBondContact O-N 3.2Å; R940-N944 PolarHBondContact O-ND2 3.31Å; R940-N944 PolarHBondContact O-OD1 2.93Å |
| 941 | M | 90.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -45 | 177.2 | -69.5 | 173.3 | 76.3 | 0 | 0 | 111.8 | T922 E937 K938 M939 N944 | T922-M941 HydrophobicContact CG2-CB 3.74Å; T922-M941 HydrophobicContact CG2-CE 3.98Å; T922-M941 HydrophobicContact CG2-SD 4.32Å; E937-M941 WeakPolarHBondContact O-CG 3.37Å; E937-M941 PolarHBondContact O-N 3.04Å; K938-M941 PolarHBondContact O-N 3.37Å; M939-M941 PolarHBondContact O-N 2.9Å; M941-N944 WeakPolarHBondContact O-CB 3.33Å; M941-N944 PolarHBondContact O-N 3.11Å |
| 942 | I | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.3 | -41.9 | 178.6 | -64.5 | 177.6 | 0 | 0 | 0 | 111.1 | M524 I785 F789 M919 T922 H923 K938 M939 R940 N944 T945 A946 | M524-I942 HydrophobicContact CE-CB 4.02Å; M524-I942 HydrophobicContact CE-CG2 3.86Å; M524-I942 HydrophobicContact SD-CG2 4.28Å; I785-I942 HydrophobicContact CD1-CG2 3.83Å; F789-I942 HydrophobicContact CE2-CD1 3.46Å; F789-I942 VanDerWaalsContact CE2-CD1 3.46Å; F789-I942 HydrophobicContact CE2-CG2 4.34Å; F789-I942 HydrophobicContact CZ-CD1 3.46Å; F789-I942 VanDerWaalsContact CZ-CD1 3.46Å; M919-I942 HydrophobicContact CE-CG2 3.61Å; T922-I942 HydrophobicContact CG2-CD1 4.39Å; T922-I942 HydrophobicContact CG2-CG1 3.69Å; H923-I942 HydrophobicContact CB-CD1 4.41Å; K938-I942 HydrophobicContact CG-CD1 4.2Å; K938-I942 PolarHBondContact O-N 3.21Å; K938-I942 VanDerWaalsContact O-N 3.11Å; M939-I942 PolarHBondContact O-N 3.34Å; R940-I942 VanDerWaalsContact C-N 3.33Å; R940-I942 PolarHBondContact O-N 2.84Å; I942-N944 VanDerWaalsContact C-N 3.26Å; I942-N944 PolarHBondContact O-N 2.9Å; I942-T945 PolarHBondContact O-N 2.9Å; I942-A946 PolarHBondContact O-N 3.44Å |
| 943 | A | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M523 M524 M939 R940 T945 A946 R947 | M523-A943 HydrophobicContact SD-CB 4.1Å; M524-A943 HydrophobicContact CG-CB 3.95Å; M524-A943 HydrophobicContact SD-CB 4.2Å; M939-A943 WeakPolarHBondContact O-CB 3.5Å; M939-A943 PolarHBondContact O-N 3.4Å; R940-A943 PolarHBondContact O-N 3.2Å; A943-T945 VanDerWaalsContact C-N 3.34Å; A943-T945 PolarHBondContact O-N 3.12Å; A943-A946 PolarHBondContact O-N 3.07Å; A943-R947 WeakPolarHBondContact O-CB 3.22Å; A943-R947 WeakPolarHBondContact O-CG 3.22Å; A943-R947 PolarHBondContact O-N 3.42Å |
| 944 | N | 92.8 | Very high | 94.6 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 174.5 | -72.1 | -21.9 | 0 | 0 | 0 | 111.7 | R940 M941 I942 A946 R947 T948 | R940-N944 PolarHBondContact O-N 3.2Å; R940-N944 PolarHBondContact O-ND2 3.31Å; R940-N944 PolarHBondContact O-OD1 2.93Å; M941-N944 WeakPolarHBondContact O-CB 3.33Å; M941-N944 PolarHBondContact O-N 3.11Å; I942-N944 VanDerWaalsContact C-N 3.26Å; I942-N944 PolarHBondContact O-N 2.9Å; N944-A946 PolarHBondContact O-N 3.3Å; N944-R947 PolarHBondContact O-N 3.13Å; N944-R947 PolarHBondContact OD1-NH2 3.26Å; N944-T948 PolarHBondContact O-N 2.82Å; N944-T948 PolarHBondContact O-OG1 2.73Å; N944-T948 VanDerWaalsContact O-OG1 3.05Å |
| 945 | T | 93.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 179.5 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | L915 M919 I942 A943 T948 V949 | L915-T945 HydrophobicContact CD1-CG2 4.24Å; L915-T945 HydrophobicContact CD2-CG2 3.64Å; L915-T945 HydrophobicContact CG-CG2 3.57Å; M919-T945 HydrophobicContact CG-CG2 3.54Å; M919-T945 HydrophobicContact SD-CG2 4.06Å; I942-T945 PolarHBondContact O-N 2.9Å; A943-T945 VanDerWaalsContact C-N 3.34Å; A943-T945 PolarHBondContact O-N 3.12Å; T945-T948 WeakPolarHBondContact O-CB 3.43Å; T945-T948 PolarHBondContact O-N 2.74Å; T945-V949 PolarHBondContact O-N 3.16Å |
| 946 | A | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M523 L784 I785 I942 A943 N944 T948 V949 R950 | M523-A946 HydrophobicContact CE-CB 4.19Å; M523-A946 HydrophobicContact SD-CB 3.43Å; M523-A946 WeakPolarHBondContact SD-CB 3.3Å; L784-A946 HydrophobicContact CD1-CB 4.21Å; I785-A946 HydrophobicContact CD1-CB 4.45Å; I942-A946 PolarHBondContact O-N 3.44Å; A943-A946 PolarHBondContact O-N 3.07Å; N944-A946 PolarHBondContact O-N 3.3Å; A946-T948 VanDerWaalsContact C-N 3.29Å; A946-T948 PolarHBondContact O-N 3.3Å; A946-V949 VanDerWaalsContact O-CB 3.32Å; A946-V949 WeakPolarHBondContact O-CB 3.35Å; A946-V949 PolarHBondContact O-N 3.42Å; A946-V949 VanDerWaalsContact O-N 3.1Å; A946-R950 PolarHBondContact O-N 2.89Å; A946-R950 VanDerWaalsContact O-N 3.12Å |
| 947 | R | 95 | Very high | 94.2 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -33.5 | 172.5 | -76.8 | -170.1 | -73.1 | 174 | -13.8 | 112.7 | N519 D520 M523 A943 N944 V949 R950 Y951 | N519-R947 WeakPolarHBondContact OD1-CD 3.44Å; D520-R947 IonicContact OD1-CZ 2.67Å; D520-R947 IonicContact OD1-NE 2.64Å; D520-R947 IonicContact OD1-NH2 3.07Å; D520-R947 PolarHBondContact OD1-NH2 3.46Å; D520-R947 IonicContact OD2-NH2 3.7Å; M523-R947 HydrophobicContact CE-CG 4.16Å; A943-R947 WeakPolarHBondContact O-CB 3.22Å; A943-R947 WeakPolarHBondContact O-CG 3.22Å; A943-R947 PolarHBondContact O-N 3.42Å; N944-R947 PolarHBondContact O-N 3.13Å; N944-R947 PolarHBondContact OD1-NH2 3.26Å; R947-V949 VanDerWaalsContact C-N 3.29Å; R947-V949 PolarHBondContact O-N 3.47Å; R947-R950 VanDerWaalsContact O-CB 3.31Å; R947-R950 WeakPolarHBondContact O-CB 3.47Å; R947-R950 PolarHBondContact O-N 3.14Å; R947-R950 VanDerWaalsContact O-N 3.14Å; R947-Y951 PolarHBondContact O-N 3.3Å |
| 948 | T | 94.5 | Very high | 93.7 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -40.1 | 172.2 | -64 | 0 | 0 | 0 | 0 | 111.3 | N944 T945 A946 Y951 Y952 | N944-T948 PolarHBondContact O-N 2.82Å; N944-T948 PolarHBondContact O-OG1 2.73Å; N944-T948 VanDerWaalsContact O-OG1 3.05Å; T945-T948 WeakPolarHBondContact O-CB 3.43Å; T945-T948 PolarHBondContact O-N 2.74Å; A946-T948 VanDerWaalsContact C-N 3.29Å; A946-T948 PolarHBondContact O-N 3.3Å; T948-Y951 PolarHBondContact O-N 3.47Å; T948-Y952 HydrophobicContact CG2-CD2 4.04Å; T948-Y952 HydrophobicContact CG2-CE1 3.87Å; T948-Y952 HydrophobicContact CG2-CE2 3.3Å; T948-Y952 WeakPolarHBondContact CG2-OH 3.36Å; T948-Y952 VanDerWaalsContact O-CD2 3.31Å; T948-Y952 WeakPolarHBondContact O-CD2 3.35Å; T948-Y952 PolarHBondContact O-N 3.22Å |
| 949 | V | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 171.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | F776 L784 L915 T945 A946 R947 Y951 Y952 R953 | F776-V949 HydrophobicContact CE2-CG1 3.7Å; F776-V949 HydrophobicContact CZ-CG1 3.71Å; L784-V949 HydrophobicContact CD1-CB 4.24Å; L784-V949 HydrophobicContact CD1-CG1 4.43Å; L784-V949 HydrophobicContact CD1-CG2 3.89Å; L915-V949 HydrophobicContact CD1-CG2 3.48Å; L915-V949 VanDerWaalsContact CD1-CG2 3.48Å; L915-V949 HydrophobicContact CD2-CG2 4.06Å; L915-V949 HydrophobicContact CG-CG2 4.44Å; T945-V949 PolarHBondContact O-N 3.16Å; A946-V949 VanDerWaalsContact O-CB 3.32Å; A946-V949 WeakPolarHBondContact O-CB 3.35Å; A946-V949 PolarHBondContact O-N 3.42Å; A946-V949 VanDerWaalsContact O-N 3.1Å; R947-V949 VanDerWaalsContact C-N 3.29Å; R947-V949 PolarHBondContact O-N 3.47Å; V949-Y951 VanDerWaalsContact C-N 3.34Å; V949-Y951 PolarHBondContact O-N 3.02Å; V949-Y952 PolarHBondContact O-N 3.32Å; V949-R953 WeakPolarHBondContact O-CG 3.2Å; V949-R953 PolarHBondContact O-N 3.27Å |
| 950 | R | 95.2 | Very high | 90.8 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.1 | -45.7 | 175 | -171.1 | -172.6 | -63 | 177.6 | -5.5 | 112.1 | N519 E781 A946 R947 R953 S954 | N519-R950 PolarHBondContact ND2-NH1 3.2Å; N519-R950 PolarHBondContact ND2-NH2 2.88Å; E781-R950 WeakPolarHBondContact OE1-CB 3.38Å; E781-R950 WeakPolarHBondContact OE1-CG 3.47Å; E781-R950 IonicContact OE1-CZ 2.72Å; E781-R950 IonicContact OE1-NE 3.54Å; E781-R950 PolarHBondContact OE1-NE 3.14Å; E781-R950 IonicContact OE1-NH2 3.13Å; E781-R950 IonicContact OE2-CZ 3.1Å; E781-R950 VanDerWaalsContact OE2-CZ 3.25Å; E781-R950 IonicContact OE2-NE 3.48Å; E781-R950 PolarHBondContact OE2-NE 3.28Å; E781-R950 IonicContact OE2-NH2 3.99Å; E781-R950 PolarHBondContact OE2-NH2 3.31Å; A946-R950 PolarHBondContact O-N 2.89Å; A946-R950 VanDerWaalsContact O-N 3.12Å; R947-R950 VanDerWaalsContact O-CB 3.31Å; R947-R950 WeakPolarHBondContact O-CB 3.47Å; R947-R950 PolarHBondContact O-N 3.14Å; R947-R950 VanDerWaalsContact O-N 3.14Å; R950-R953 WeakPolarHBondContact O-CG 3.34Å; R950-R953 PolarHBondContact O-N 3.02Å; R950-S954 PolarHBondContact O-N 2.75Å; R950-S954 VanDerWaalsContact O-N 3.12Å |
| 951 | Y | 95.6 | Very high | 88.7 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 41% | 0.408 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.3 | 170.2 | -108.1 | 0 | 0 | 0 | 111.5 | E905 P906 R947 T948 V949 R953 S954 | E905-Y951 PolarHBondContact OE2-OH 3.32Å; P906-Y951 WeakPolarHBondContact CB-O 3.38Å; P906-Y951 VanDerWaalsContact CD-OH 3.29Å; P906-Y951 WeakPolarHBondContact CD-OH 3.43Å; P906-Y951 HydrophobicContact CG-CD1 4.12Å; P906-Y951 HydrophobicContact CG-CD2 3.95Å; P906-Y951 HydrophobicContact CG-CE1 3.81Å; P906-Y951 HydrophobicContact CG-CE2 3.62Å; P906-Y951 HydrophobicContact CG-CG 4.19Å; P906-Y951 WeakPolarHBondContact CG-O 3.48Å; R947-Y951 PolarHBondContact O-N 3.3Å; T948-Y951 PolarHBondContact O-N 3.47Å; V949-Y951 VanDerWaalsContact C-N 3.34Å; V949-Y951 PolarHBondContact O-N 3.02Å; Y951-R953 PolarHBondContact O-N 3.4Å; Y951-R953 VanDerWaalsContact O-N 3.16Å; Y951-S954 VanDerWaalsContact O-CB 3.29Å; Y951-S954 WeakPolarHBondContact O-CB 3.41Å; Y951-S954 PolarHBondContact O-N 2.81Å; Y951-S954 VanDerWaalsContact O-N 3.08Å; Y951-S954 PolarHBondContact O-OG 2.83Å |
| 952 | Y | 97.1 | Very high | 86.8 | Confident | 30 Ų | 30 | 61 Ų | 61 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.7 | -31.9 | -179.6 | -66.2 | -23.1 | 0 | 0 | 0 | 114.5 | V901 L908 P910 T948 V949 | V901-Y952 HydrophobicContact CG1-CE1 3.84Å; V901-Y952 VanDerWaalsContact CG1-OH 3.24Å; V901-Y952 WeakPolarHBondContact CG1-OH 3.4Å; L908-Y952 HydrophobicContact CD1-CD1 3.57Å; L908-Y952 HydrophobicContact CD1-CD2 4.08Å; L908-Y952 HydrophobicContact CD1-CE1 3.81Å; L908-Y952 HydrophobicContact CD1-CE2 4.28Å; L908-Y952 HydrophobicContact CD1-CG 3.71Å; L908-Y952 HydrophobicContact CD2-CD1 3.43Å; L908-Y952 VanDerWaalsContact CD2-CD1 3.43Å; L908-Y952 HydrophobicContact CD2-CE1 3.88Å; L908-Y952 HydrophobicContact CD2-CG 4.2Å; L908-Y952 HydrophobicContact CG-CD1 3.55Å; L908-Y952 HydrophobicContact CG-CE1 4.19Å; L908-Y952 HydrophobicContact CG-CG 3.8Å; L908-Y952 PolarHBondContact N-O 2.75Å; P910-Y952 HydrophobicContact CB-CD2 3.68Å; P910-Y952 HydrophobicContact CB-CE2 3.48Å; P910-Y952 VanDerWaalsContact CB-CE2 3.48Å; P910-Y952 HydrophobicContact CG-CD2 3.6Å; P910-Y952 HydrophobicContact CG-CE2 3.88Å; T948-Y952 HydrophobicContact CG2-CD2 4.04Å; T948-Y952 HydrophobicContact CG2-CE1 3.87Å; T948-Y952 HydrophobicContact CG2-CE2 3.3Å; T948-Y952 WeakPolarHBondContact CG2-OH 3.36Å; T948-Y952 VanDerWaalsContact O-CD2 3.31Å; T948-Y952 WeakPolarHBondContact O-CD2 3.35Å; T948-Y952 PolarHBondContact O-N 3.22Å; V949-Y952 PolarHBondContact O-N 3.32Å |
| 953 | R | 96.6 | Very high | 84.7 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 11.9 | 178.4 | 71.8 | -169.2 | -175.2 | 167.9 | 2.7 | 115.1 | W773 F776 V779 E781 V949 R950 Y951 Q955 | W773-R953 HydrophobicContact CH2-CB 4.22Å; W773-R953 HydrophobicContact CZ3-CB 3.74Å; F776-R953 HydrophobicContact CE1-CB 4.15Å; V779-R953 PolarHBondContact O-NH1 3.2Å; E781-R953 IonicContact OE1-NH2 2.7Å; E781-R953 PolarHBondContact OE1-NH2 3.44Å; V949-R953 WeakPolarHBondContact O-CG 3.2Å; V949-R953 PolarHBondContact O-N 3.27Å; R950-R953 WeakPolarHBondContact O-CG 3.34Å; R950-R953 PolarHBondContact O-N 3.02Å; Y951-R953 PolarHBondContact O-N 3.4Å; Y951-R953 VanDerWaalsContact O-N 3.16Å; R953-Q955 PolarHBondContact O-N 2.96Å |
| 954 | S | 96.1 | Very high | 82.4 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 47% | 0.469 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -66.9 | -19.6 | -179.2 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | R950 Y951 | R950-S954 PolarHBondContact O-N 2.75Å; R950-S954 VanDerWaalsContact O-N 3.12Å; Y951-S954 VanDerWaalsContact O-CB 3.29Å; Y951-S954 WeakPolarHBondContact O-CB 3.41Å; Y951-S954 PolarHBondContact O-N 2.81Å; Y951-S954 VanDerWaalsContact O-N 3.08Å; Y951-S954 PolarHBondContact O-OG 2.83Å |
| 955 | Q | 94.7 | Very high | 80.5 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 51% | 0.514 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -115.4 | 145.4 | 176.6 | -65.6 | -65.1 | -23 | 0 | 0 | 110.1 | P906 P907 R953 | P906-Q955 HydrophobicContact CB-CB 4.09Å; P906-Q955 HydrophobicContact CB-CG 3.98Å; P907-Q955 HydrophobicContact CB-CB 4.37Å; P907-Q955 WeakPolarHBondContact CB-O 3.43Å; R953-Q955 PolarHBondContact O-N 2.96Å |
| 956 | P | 91.9 | Very high | 78.5 | Confident | 87 Ų | 87 | 78.8 Ų | 78.8 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | trans | -72.7 | 145.9 | 175.1 | 30.3 | -33.9 | 0 | 0 | 0 | 111.3 | N958 | P956-N958 PolarHBondContact O-N 3.1Š| ||
| 957 | F | 90.7 | Very high | 76.7 | Confident | 36 Ų | 36 | 84.5 Ų | 84.5 | 16% | 0.158 | 47% | 0.465 | C | S | . | . | trans | -82.6 | 103 | 171.6 | -179.8 | -106.5 | 0 | 0 | 0 | 111 | T769 I770 W773 Y845 P907 P959 | T769-F957 HydrophobicContact CG2-CD1 4.41Å; T769-F957 HydrophobicContact CG2-CD2 4.49Å; T769-F957 HydrophobicContact CG2-CE1 3.8Å; T769-F957 HydrophobicContact CG2-CE2 3.9Å; T769-F957 HydrophobicContact CG2-CZ 3.52Å; I770-F957 HydrophobicContact CG1-CD1 4.49Å; I770-F957 HydrophobicContact CG1-CE1 4.15Å; W773-F957 AromaticContact CD1-CD1 3.62Å; W773-F957 AromaticContact CD1-CD2 3.98Å; W773-F957 AromaticContact CD1-CG 3.44Å; W773-F957 VanDerWaalsContact CD1-CG 3.44Å; W773-F957 HydrophobicContact CD2-CB 3.93Å; W773-F957 HydrophobicContact CG-CB 3.93Å; W773-F957 HydrophobicContact CG-CD1 4.44Å; W773-F957 HydrophobicContact CG-CG 4.26Å; W773-F957 HydrophobicContact CZ2-CB 4.3Å; W773-F957 AromaticContact NE1-CD1 3.99Å; W773-F957 AromaticContact NE1-CD2 3.48Å; W773-F957 AromaticContact NE1-CG 3.33Å; W773-F957 VanDerWaalsContact NE1-CG 3.33Å; Y845-F957 HydrophobicContact CD1-CE2 4.45Å; Y845-F957 HydrophobicContact CD1-CZ 4.16Å; Y845-F957 HydrophobicContact CG-CZ 4.35Å; P907-F957 HydrophobicContact CB-CB 4.36Å; P907-F957 HydrophobicContact CG-CD2 4.34Å; F957-P959 HydrophobicContact CD1-CG 4.27Å; F957-P959 VanDerWaalsContact CE1-CD 3.44Å; F957-P959 HydrophobicContact CE1-CG 3.59Å; F957-P959 HydrophobicContact CE2-CG 4.41Å; F957-P959 HydrophobicContact CZ-CB 4.21Å; F957-P959 HydrophobicContact CZ-CG 3.67Å | ||
| 958 | N | 80.3 | Confident | 75.5 | Confident | 138 Ų | 138 | 83.4 Ų | 83.4 | 74% | 0.738 | 46% | 0.462 | S | S | * | . | trans | -128 | 85.7 | 174.9 | -73.4 | -28.9 | 0 | 0 | 0 | 110.5 | P956 | P956-N958 PolarHBondContact O-N 3.1Š| ||
| 959 | P | 66.2 | Low | 74.9 | Confident | 30 Ų | 30 | 87.3 Ų | 87.3 | 20% | 0.195 | 48% | 0.477 | C | S | . | . | trans | -66.4 | 149.9 | 167.8 | 26.2 | -35.1 | 0 | 0 | 0 | 111.5 | Y766 Y845 F957 A961 | Y766-P959 HydrophobicContact CD2-CB 4.39Å; Y766-P959 HydrophobicContact CD2-CG 3.92Å; Y766-P959 HydrophobicContact CE2-CB 3.84Å; Y766-P959 HydrophobicContact CE2-CG 3.14Å; Y845-P959 HydrophobicContact CE1-CB 4.38Å; F957-P959 HydrophobicContact CD1-CG 4.27Å; F957-P959 VanDerWaalsContact CE1-CD 3.44Å; F957-P959 HydrophobicContact CE1-CG 3.59Å; F957-P959 HydrophobicContact CE2-CG 4.41Å; F957-P959 HydrophobicContact CZ-CB 4.21Å; F957-P959 HydrophobicContact CZ-CG 3.67Å; P959-A961 PolarHBondContact O-N 3.32Å | ||
| 960 | D | 63.5 | Low | 74.4 | Confident | 135 Ų | 135 | 92.2 Ų | 92.2 | 72% | 0.722 | 50% | 0.503 | S | S | * | . | trans | -40.3 | 126.2 | -174 | -78.9 | -40.6 | 0 | 0 | 0 | 114.5 | A962 | D960-A962 PolarHBondContact O-N 3.43Š| ||
| 961 | A | 48.5 | Very low | 74.2 | Confident | 102 Ų | 102 | 88.5 Ų | 88.5 | 84% | 0.843 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -58.5 | -4.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P959 Q963 | P959-A961 PolarHBondContact O-N 3.32Å; A961-Q963 PolarHBondContact O-N 2.65Å |
| 962 | A | 50.8 | Low | 73.9 | Confident | 98 Ų | 98 | 87.2 Ų | 87.2 | 81% | 0.81 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -71.4 | -3.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D960 | D960-A962 PolarHBondContact O-N 3.43Š|
| 963 | Q | 51 | Low | 73.6 | Confident | 40 Ų | 40 | 87.1 Ų | 87.1 | 19% | 0.187 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -97.2 | -0.9 | -167.3 | -82 | 171.5 | 30.1 | 0 | 0 | 116.3 | A961 N965 H968 | A961-Q963 PolarHBondContact O-N 2.65Å; Q963-N965 PolarHBondContact O-N 2.66Å; Q963-H968 PolarHBondContact O-CE1 2.98Å; Q963-H968 PolarHBondContact O-NE2 3.27Å |
| 964 | A | 46 | Very low | 73.4 | Confident | 90 Ų | 90 | 86.2 Ų | 86.2 | 74% | 0.744 | 49% | 0.485 | S | S | * | . | trans | -67.7 | 70.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 965 | N | 53 | Low | 73.3 | Confident | 120 Ų | 120 | 83.2 Ų | 83.2 | 64% | 0.642 | 46% | 0.464 | S | S | * | . | trans | -81.3 | 148.2 | 170.4 | -94.3 | -21.2 | 0 | 0 | 0 | 110.4 | Q963 N967 H968 | Q963-N965 PolarHBondContact O-N 2.66Å; N965-N967 PolarHBondContact O-N 2.85Å; N965-H968 PolarHBondContact N-NE2 3.35Å; N965-H968 PolarHBondContact O-CD2 3.47Å | ||
| 966 | K | 51.9 | Low | 73.2 | Confident | 214 Ų | 214 | 78.2 Ų | 78.2 | 93% | 0.93 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -2.1 | -172.6 | -67.1 | 177.9 | 176.9 | 178 | 0 | 116.1 | ||
| 967 | N | 55.8 | Low | 73.2 | Confident | 120 Ų | 120 | 76.9 Ų | 76.9 | 64% | 0.642 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 10.9 | -176.7 | -93.4 | 8.5 | 0 | 0 | 0 | 115.5 | N965 Q969 | N965-N967 PolarHBondContact O-N 2.85Å; N967-Q969 VanDerWaalsContact C-N 3.32Å; N967-Q969 PolarHBondContact O-N 3Å |
| 968 | H | 69.8 | Low | 73.3 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 19% | 0.185 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.1 | -26.7 | -175.7 | -75.1 | -60.5 | 0 | 0 | 0 | 115.6 | D763 Q963 N965 R972 | D763-H968 IonicContact OD1-CE1 2.85Å; Q963-H968 PolarHBondContact O-CE1 2.98Å; Q963-H968 PolarHBondContact O-NE2 3.27Å; N965-H968 PolarHBondContact N-NE2 3.35Å; N965-H968 PolarHBondContact O-CD2 3.47Å; H968-R972 WeakPolarHBondContact O-CB 3.2Å; H968-R972 PolarHBondContact O-N 2.93Å |
| 969 | Q | 81.9 | Confident | 73.9 | Confident | 132 Ų | 132 | 74.7 Ų | 74.7 | 62% | 0.617 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69.5 | -40.8 | -173.2 | -170 | 166.2 | -7.5 | 0 | 0 | 112 | N967 R972 S973 | N967-Q969 VanDerWaalsContact C-N 3.32Å; N967-Q969 PolarHBondContact O-N 3Å; Q969-R972 WeakPolarHBondContact O-CB 3.46Å; Q969-R972 PolarHBondContact O-N 3.43Å; Q969-S973 WeakPolarHBondContact O-CB 3.42Å; Q969-S973 PolarHBondContact O-N 3.42Å; Q969-S973 PolarHBondContact O-OG 3.5Å; Q969-S973 VanDerWaalsContact O-OG 3.07Å |
| 970 | D | 86.5 | Confident | 75.3 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 56% | 0.556 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 178.4 | -60.2 | -21.9 | 0 | 0 | 0 | 111.7 | S973 Y974 | D970-S973 PolarHBondContact O-N 2.96Å; D970-Y974 WeakPolarHBondContact O-CB 3.4Å; D970-Y974 PolarHBondContact O-N 2.69Å |
| 971 | V | 90.6 | Very high | 77 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | M759 D763 L764 Q767 Y974 V975 | M759-V971 HydrophobicContact CB-CG2 4.29Å; M759-V971 HydrophobicContact CE-CG2 4.41Å; M759-V971 HydrophobicContact CG-CG2 3.94Å; M759-V971 HydrophobicContact SD-CB 4.18Å; M759-V971 HydrophobicContact SD-CG1 4.1Å; M759-V971 HydrophobicContact SD-CG2 3.9Å; D763-V971 HydrophobicContact CB-CG1 4.31Å; D763-V971 HydrophobicContact CB-CG2 4.48Å; L764-V971 HydrophobicContact CD2-CG1 3.97Å; L764-V971 HydrophobicContact CG-CG1 4.37Å; Q767-V971 HydrophobicContact CB-CG1 4.14Å; Q767-V971 HydrophobicContact CG-CB 4.17Å; Q767-V971 HydrophobicContact CG-CG1 3.81Å; V971-Y974 PolarHBondContact O-N 3.42Å; V971-V975 HydrophobicContact CG1-CG2 4.35Å; V971-V975 WeakPolarHBondContact O-CB 3.31Å; V971-V975 VanDerWaalsContact O-CG2 3.29Å; V971-V975 WeakPolarHBondContact O-CG2 3.28Å; V971-V975 PolarHBondContact O-N 3.32Å |
| 972 | R | 89.2 | Confident | 79.2 | Confident | 77 Ų | 77 | 63 Ų | 63 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 176.6 | -179.7 | -178.8 | 176.6 | 150.8 | 4.2 | 111.3 | A646 H968 Q969 V975 R976 | A646-R972 PolarHBondContact O-NE 3.18Å; A646-R972 PolarHBondContact O-NH2 2.87Å; H968-R972 WeakPolarHBondContact O-CB 3.2Å; H968-R972 PolarHBondContact O-N 2.93Å; Q969-R972 WeakPolarHBondContact O-CB 3.46Å; Q969-R972 PolarHBondContact O-N 3.43Å; R972-V975 PolarHBondContact O-N 3.14Å; R972-R976 WeakPolarHBondContact O-CB 3.46Å; R972-R976 VanDerWaalsContact O-CG 3.31Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 3.02Å; R972-R976 VanDerWaalsContact O-N 3.14Å |
| 973 | S | 90 | Very high | 81.3 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 178.8 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | Q969 D970 V975 R976 Q977 | Q969-S973 WeakPolarHBondContact O-CB 3.42Å; Q969-S973 PolarHBondContact O-N 3.42Å; Q969-S973 PolarHBondContact O-OG 3.5Å; Q969-S973 VanDerWaalsContact O-OG 3.07Å; D970-S973 PolarHBondContact O-N 2.96Å; S973-V975 PolarHBondContact O-N 3.09Å; S973-R976 PolarHBondContact O-N 3.5Å; S973-Q977 WeakPolarHBondContact O-CB 3.3Å; S973-Q977 VanDerWaalsContact O-CG 3.29Å; S973-Q977 WeakPolarHBondContact O-CG 3.17Å; S973-Q977 PolarHBondContact O-N 2.94Å |
| 974 | Y | 93.3 | Very high | 83.3 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 13% | 0.129 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -50.7 | 177.3 | 177.7 | -95.9 | 0 | 0 | 0 | 112.2 | T752 T755 F756 M759 L764 W814 D970 V971 R976 Q977 L978 | T752-Y974 PolarHBondContact OG1-OH 3.34Å; T752-Y974 VanDerWaalsContact OG1-OH 3.05Å; T755-Y974 HydrophobicContact CG2-CD2 4.37Å; F756-Y974 HydrophobicContact CB-CD1 4.13Å; F756-Y974 HydrophobicContact CB-CE1 3.56Å; F756-Y974 HydrophobicContact CB-CE2 4.17Å; F756-Y974 HydrophobicContact CD1-CE1 4.41Å; F756-Y974 HydrophobicContact CD1-CE2 4.42Å; F756-Y974 AromaticContact CD1-CZ 3.76Å; F756-Y974 WeakPolarHBondContact CD1-OH 3.35Å; F756-Y974 HydrophobicContact CG-CE1 4.03Å; F756-Y974 AromaticContact CG-CZ 3.84Å; F756-Y974 WeakPolarHBondContact CG-OH 3.3Å; M759-Y974 HydrophobicContact CE-CG 4.36Å; M759-Y974 HydrophobicContact SD-CD1 4.32Å; M759-Y974 HydrophobicContact SD-CG 4.4Å; L764-Y974 HydrophobicContact CD2-CD1 4.03Å; L764-Y974 HydrophobicContact CD2-CE1 4.26Å; W814-Y974 AromaticContact CZ2-CE1 3.9Å; W814-Y974 HydrophobicContact CZ2-CE1 3.9Å; W814-Y974 AromaticContact NE1-CZ 3.93Å; W814-Y974 PolarHBondContact NE1-OH 3.22Å; D970-Y974 WeakPolarHBondContact O-CB 3.4Å; D970-Y974 PolarHBondContact O-N 2.69Å; V971-Y974 PolarHBondContact O-N 3.42Å; Y974-R976 VanDerWaalsContact C-N 3.3Å; Y974-R976 PolarHBondContact O-N 2.82Å; Y974-Q977 PolarHBondContact O-N 2.9Å; Y974-L978 HydrophobicContact CE1-CD2 4.1Å |
| 975 | V | 94.2 | Very high | 85.5 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -32.7 | -176.1 | 167.1 | 0 | 0 | 0 | 0 | 113.4 | L764 Q767 M768 R807 V971 R972 S973 | L764-V975 HydrophobicContact CD2-CG2 3.92Å; Q767-V975 HydrophobicContact CB-CB 4.39Å; Q767-V975 HydrophobicContact CB-CG1 4.49Å; Q767-V975 HydrophobicContact CB-CG2 4.16Å; M768-V975 HydrophobicContact CB-CG1 4.16Å; M768-V975 HydrophobicContact CG-CB 4.47Å; M768-V975 HydrophobicContact CG-CG1 3.51Å; M768-V975 HydrophobicContact CG-CG2 4.08Å; R807-V975 PolarHBondContact NH1-O 2.79Å; R807-V975 PolarHBondContact NH2-O 3.3Å; V971-V975 HydrophobicContact CG1-CG2 4.35Å; V971-V975 WeakPolarHBondContact O-CB 3.31Å; V971-V975 VanDerWaalsContact O-CG2 3.29Å; V971-V975 WeakPolarHBondContact O-CG2 3.28Å; V971-V975 PolarHBondContact O-N 3.32Å; R972-V975 PolarHBondContact O-N 3.14Å; S973-V975 PolarHBondContact O-N 3.09Å |
| 976 | R | 92.3 | Very high | 87.4 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -87.6 | -7.4 | -178.6 | -66.4 | -176.6 | -174.1 | -132.7 | -5.7 | 113.7 | R645 Q647 Y771 E774 R972 S973 Y974 | R645-R976 WeakPolarHBondContact O-CD 3.46Å; Q647-R976 PolarHBondContact O-NH1 3.22Å; Y771-R976 HydrophobicContact CD1-CG 4.12Å; Y771-R976 HydrophobicContact CD2-CG 3.74Å; Y771-R976 HydrophobicContact CE1-CG 4.4Å; Y771-R976 HydrophobicContact CE2-CG 4.04Å; Y771-R976 HydrophobicContact CG-CG 3.78Å; E774-R976 VanDerWaalsContact CD-NH2 3.32Å; E774-R976 IonicContact OE1-CZ 2.7Å; E774-R976 IonicContact OE1-NH1 3.88Å; E774-R976 PolarHBondContact OE1-NH1 3.17Å; E774-R976 IonicContact OE1-NH2 3.66Å; E774-R976 PolarHBondContact OE1-NH2 3.17Å; E774-R976 IonicContact OE2-CZ 3.52Å; E774-R976 IonicContact OE2-NH1 3.82Å; E774-R976 PolarHBondContact OE2-NH1 3.43Å; E774-R976 IonicContact OE2-NH2 2.74Å; E774-R976 PolarHBondContact OE2-NH2 3.27Å; R972-R976 WeakPolarHBondContact O-CB 3.46Å; R972-R976 VanDerWaalsContact O-CG 3.31Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 3.02Å; R972-R976 VanDerWaalsContact O-N 3.14Å; S973-R976 PolarHBondContact O-N 3.5Å; Y974-R976 VanDerWaalsContact C-N 3.3Å; Y974-R976 PolarHBondContact O-N 2.82Å |
| 977 | Q | 90.9 | Very high | 89.4 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -130.3 | 42.5 | -173.3 | -56.4 | -178.8 | 13 | 0 | 0 | 111.7 | R645 S973 Y974 N979 | R645-Q977 HydrophobicContact CB-CG 3.88Å; S973-Q977 WeakPolarHBondContact O-CB 3.3Å; S973-Q977 VanDerWaalsContact O-CG 3.29Å; S973-Q977 WeakPolarHBondContact O-CG 3.17Å; S973-Q977 PolarHBondContact O-N 2.94Å; Y974-Q977 PolarHBondContact O-N 2.9Å; Q977-N979 PolarHBondContact O-N 3.2Å |
| 978 | L | 93.1 | Very high | 91.2 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | trans | -63.5 | 132.5 | 177.3 | -61.2 | 178.5 | 0 | 0 | 0 | 110.3 | E810 W814 Y974 V980 | E810-L978 HydrophobicContact CG-CB 4.16Å; E810-L978 HydrophobicContact CG-CD1 4.28Å; W814-L978 HydrophobicContact CB-CD1 4.1Å; W814-L978 HydrophobicContact CD2-CD1 4.26Å; W814-L978 HydrophobicContact CD2-CD2 4.28Å; W814-L978 HydrophobicContact CG-CD1 4.07Å; W814-L978 HydrophobicContact CG-CD2 4.13Å; Y974-L978 HydrophobicContact CE1-CD2 4.1Å; L978-V980 HydrophobicContact CB-CG1 4.23Å | ||
| 979 | N | 93.8 | Very high | 92.4 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | trans | -112.3 | 126.1 | 167.7 | -68.1 | -36.6 | 0 | 0 | 0 | 107.2 | Q977 | Q977-N979 PolarHBondContact O-N 3.2Š| ||
| 980 | V | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | trans | -135.9 | 156.8 | -169.3 | -54 | 0 | 0 | 0 | 0 | 111.3 | I724 N725 F813 W814 L978 | I724-V980 HydrophobicContact CB-CG2 4.4Å; I724-V980 HydrophobicContact CD1-CG2 4.15Å; I724-V980 HydrophobicContact CG2-CG2 3.61Å; N725-V980 PolarHBondContact ND2-O 2.88Å; F813-V980 HydrophobicContact CB-CB 4.23Å; F813-V980 HydrophobicContact CB-CG2 4.11Å; W814-V980 HydrophobicContact CB-CG1 3.69Å; L978-V980 HydrophobicContact CB-CG1 4.23Å | ||
| 981 | I | 97.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -92.5 | 115.5 | 167.1 | -54.8 | 172.1 | 0 | 0 | 0 | 107.1 | P748 F813 T817 L821 N983 T986 L987 M990 | P748-I981 HydrophobicContact CG-CG1 4.18Å; P748-I981 WeakPolarHBondContact O-CD1 3.27Å; F813-I981 WeakPolarHBondContact CD1-O 3.27Å; T817-I981 HydrophobicContact CG2-CB 4.37Å; T817-I981 HydrophobicContact CG2-CD1 4.07Å; T817-I981 HydrophobicContact CG2-CG1 3.88Å; T817-I981 PolarHBondContact OG1-N 2.81Å; T817-I981 PolarHBondContact OG1-O 3.33Å; L821-I981 HydrophobicContact CD1-CD1 4.25Å; L821-I981 HydrophobicContact CD2-CD1 4.34Å; L821-I981 HydrophobicContact CG-CD1 4.38Å; I981-N983 HydrophobicContact CG2-CB 4.34Å; I981-T986 HydrophobicContact CG2-CG2 4.28Å; I981-L987 HydrophobicContact CB-CD2 3.94Å; I981-L987 HydrophobicContact CB-CG 4.25Å; I981-L987 HydrophobicContact CD1-CD2 4.18Å; I981-L987 HydrophobicContact CG2-CD1 4.41Å; I981-L987 HydrophobicContact CG2-CD2 4.01Å; I981-L987 HydrophobicContact CG2-CG 3.87Å; I981-L987 WeakPolarHBondContact O-CD1 3.09Å; I981-M990 HydrophobicContact CD1-CE 3.84Å; I981-M990 HydrophobicContact CD1-SD 3.96Å | ||
| 982 | D | 95 | Very high | 93.8 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | trans | -100.7 | 0.5 | 174.7 | 67.7 | -19 | 0 | 0 | 0 | 113 | S704 I724 N725 F813 Q984 | S704-D982 VanDerWaalsContact CB-OD1 3.23Å; S704-D982 WeakPolarHBondContact CB-OD1 3.46Å; S704-D982 PolarHBondContact OG-OD1 3.02Å; I724-D982 HydrophobicContact CB-CB 4.24Å; I724-D982 HydrophobicContact CD1-CB 4.02Å; I724-D982 PolarHBondContact N-OD2 3.22Å; N725-D982 WeakPolarHBondContact CB-OD1 3.39Å; N725-D982 PolarHBondContact N-OD2 3.26Å; N725-D982 PolarHBondContact ND2-OD1 2.67Å; F813-D982 HydrophobicContact CD2-CB 4.09Å; F813-D982 HydrophobicContact CE2-CB 4.28Å; F813-D982 HydrophobicContact CG-CB 4.27Å; D982-Q984 PolarHBondContact O-N 2.92Å | ||
| 983 | N | 95.1 | Very high | 94 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | trans | -82.1 | 101.8 | 173.4 | -174.1 | -26.3 | 0 | 0 | 0 | 110.9 | S704 G705 I981 R985 T986 L987 | S704-N983 PolarHBondContact O-ND2 3.42Å; S704-N983 PolarHBondContact OG-N 2.95Å; G705-N983 WeakPolarHBondContact CA-ND2 3.47Å; I981-N983 HydrophobicContact CG2-CB 4.34Å; N983-R985 VanDerWaalsContact C-N 3.28Å; N983-R985 PolarHBondContact O-N 3.29Å; N983-R985 WeakPolarHBondContact OD1-CB 3.37Å; N983-R985 PolarHBondContact OD1-N 2.96Å; N983-T986 VanDerWaalsContact CG-OG1 3.28Å; N983-T986 PolarHBondContact ND2-OG1 3.21Å; N983-T986 WeakPolarHBondContact O-CB 3.42Å; N983-T986 PolarHBondContact O-N 3.27Å; N983-T986 PolarHBondContact OD1-N 2.81Å; N983-L987 PolarHBondContact O-N 3.16Å; N983-L987 VanDerWaalsContact O-N 3.13Å | ||
| 984 | Q | 93.1 | Very high | 94.3 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62 | -30.9 | -178.7 | -174.1 | 61.8 | 48.5 | 0 | 0 | 113.4 | N860 D982 S988 | N860-Q984 PolarHBondContact ND2-OE1 3.43Å; N860-Q984 PolarHBondContact OD1-NE2 3.18Å; D982-Q984 PolarHBondContact O-N 2.92Å; Q984-S988 PolarHBondContact NE2-OG 3.07Å; Q984-S988 WeakPolarHBondContact O-CB 3.33Å; Q984-S988 PolarHBondContact O-N 2.95Å; Q984-S988 PolarHBondContact O-OG 3.11Å; Q984-S988 VanDerWaalsContact O-OG 3.06Å |
| 985 | R | 91.5 | Very high | 94.4 | Very high | 182 Ų | 182 | 49.5 Ų | 49.5 | 69% | 0.687 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.8 | -45 | 176.9 | -67.8 | -176.7 | -177 | 173.4 | 2.3 | 110.4 | N983 S988 Q989 | N983-R985 VanDerWaalsContact C-N 3.28Å; N983-R985 PolarHBondContact O-N 3.29Å; N983-R985 WeakPolarHBondContact OD1-CB 3.37Å; N983-R985 PolarHBondContact OD1-N 2.96Å; R985-S988 PolarHBondContact O-N 2.75Å; R985-Q989 WeakPolarHBondContact O-CG 3.33Å; R985-Q989 PolarHBondContact O-N 2.94Å |
| 986 | T | 93.6 | Very high | 94.3 | Very high | 42 Ų | 42 | 54 Ų | 54 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 176.2 | -58 | 0 | 0 | 0 | 0 | 111.3 | I981 N983 S988 Q989 M990 | I981-T986 HydrophobicContact CG2-CG2 4.28Å; N983-T986 VanDerWaalsContact CG-OG1 3.28Å; N983-T986 PolarHBondContact ND2-OG1 3.21Å; N983-T986 WeakPolarHBondContact O-CB 3.42Å; N983-T986 PolarHBondContact O-N 3.27Å; N983-T986 PolarHBondContact OD1-N 2.81Å; T986-S988 PolarHBondContact O-N 3.23Å; T986-Q989 PolarHBondContact O-N 3.09Å; T986-M990 HydrophobicContact CG2-CE 3.71Å; T986-M990 HydrophobicContact CG2-SD 4.25Å; T986-M990 WeakPolarHBondContact O-CG 3.36Å; T986-M990 PolarHBondContact O-N 2.82Å |
| 987 | L | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 178 | -70 | 170.1 | 0 | 0 | 0 | 112.5 | F813 V816 C820 A862 I981 N983 Q989 M990 S991 | F813-L987 HydrophobicContact CD1-CD1 3.73Å; F813-L987 HydrophobicContact CE1-CD1 3.98Å; V816-L987 HydrophobicContact CB-CD1 4.14Å; V816-L987 HydrophobicContact CG1-CB 4.14Å; V816-L987 HydrophobicContact CG1-CD1 3.61Å; V816-L987 HydrophobicContact CG1-CD2 4.01Å; V816-L987 HydrophobicContact CG1-CG 4.12Å; C820-L987 HydrophobicContact CB-CD2 4.02Å; A862-L987 HydrophobicContact CB-CB 4.29Å; I981-L987 HydrophobicContact CB-CD2 3.94Å; I981-L987 HydrophobicContact CB-CG 4.25Å; I981-L987 HydrophobicContact CD1-CD2 4.18Å; I981-L987 HydrophobicContact CG2-CD1 4.41Å; I981-L987 HydrophobicContact CG2-CD2 4.01Å; I981-L987 HydrophobicContact CG2-CG 3.87Å; I981-L987 WeakPolarHBondContact O-CD1 3.09Å; N983-L987 PolarHBondContact O-N 3.16Å; N983-L987 VanDerWaalsContact O-N 3.13Å; L987-Q989 PolarHBondContact O-N 3.13Å; L987-M990 PolarHBondContact O-N 3.34Å; L987-S991 WeakPolarHBondContact O-CB 3.44Å; L987-S991 PolarHBondContact O-N 3.21Å |
| 988 | S | 92.8 | Very high | 91.8 | Very high | 28 Ų | 28 | 71.8 Ų | 71.8 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.4 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | R865 Q984 R985 T986 S991 H992 | R865-S988 PolarHBondContact NH2-O 3.13Å; Q984-S988 PolarHBondContact NE2-OG 3.07Å; Q984-S988 WeakPolarHBondContact O-CB 3.33Å; Q984-S988 PolarHBondContact O-N 2.95Å; Q984-S988 PolarHBondContact O-OG 3.11Å; Q984-S988 VanDerWaalsContact O-OG 3.06Å; R985-S988 PolarHBondContact O-N 2.75Å; T986-S988 PolarHBondContact O-N 3.23Å; S988-S991 PolarHBondContact O-N 3.1Å; S988-H992 PolarHBondContact O-N 2.77Å; S988-H992 PolarHBondContact O-ND1 2.72Å |
| 989 | Q | 94.3 | Very high | 89.3 | Confident | 106 Ų | 106 | 80.8 Ų | 80.8 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.1 | -72.5 | 174.1 | 6.6 | 0 | 0 | 112 | R985 T986 L987 S991 H992 R993 | R985-Q989 WeakPolarHBondContact O-CG 3.33Å; R985-Q989 PolarHBondContact O-N 2.94Å; T986-Q989 PolarHBondContact O-N 3.09Å; L987-Q989 PolarHBondContact O-N 3.13Å; Q989-S991 VanDerWaalsContact C-N 3.32Å; Q989-S991 PolarHBondContact O-N 2.91Å; Q989-H992 PolarHBondContact O-N 2.69Å; Q989-R993 WeakPolarHBondContact O-CG 3.37Å; Q989-R993 PolarHBondContact O-N 3.17Å; Q989-R993 VanDerWaalsContact O-N 3.1Å |
| 990 | M | 96.9 | Very high | 89.1 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 21% | 0.207 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.6 | -48.3 | 175.2 | -71.7 | 174.7 | 172.4 | 0 | 0 | 110.9 | C820 L821 I981 T986 L987 H992 R993 L994 | C820-M990 HydrophobicContact CB-CB 4.06Å; C820-M990 HydrophobicContact CB-SD 4.38Å; L821-M990 HydrophobicContact CD2-CE 3.92Å; L821-M990 HydrophobicContact CD2-SD 3.95Å; I981-M990 HydrophobicContact CD1-CE 3.84Å; I981-M990 HydrophobicContact CD1-SD 3.96Å; T986-M990 HydrophobicContact CG2-CE 3.71Å; T986-M990 HydrophobicContact CG2-SD 4.25Å; T986-M990 WeakPolarHBondContact O-CG 3.36Å; T986-M990 PolarHBondContact O-N 2.82Å; L987-M990 PolarHBondContact O-N 3.34Å; M990-H992 PolarHBondContact O-N 3.45Å; M990-R993 WeakPolarHBondContact O-CB 3.41Å; M990-R993 PolarHBondContact O-N 2.79Å; M990-R993 VanDerWaalsContact O-N 3.08Å; M990-L994 WeakPolarHBondContact O-CG 3.24Å; M990-L994 PolarHBondContact O-N 2.97Å |
| 991 | S | 96.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 113.4 | A862 R865 L866 L987 S988 Q989 R993 L994 E995 | A862-S991 WeakPolarHBondContact O-CB 3.4Å; A862-S991 PolarHBondContact O-OG 2.84Å; R865-S991 PolarHBondContact NH2-OG 3.49Å; L866-S991 WeakPolarHBondContact CD2-OG 3.44Å; L987-S991 WeakPolarHBondContact O-CB 3.44Å; L987-S991 PolarHBondContact O-N 3.21Å; S988-S991 PolarHBondContact O-N 3.1Å; Q989-S991 VanDerWaalsContact C-N 3.32Å; Q989-S991 PolarHBondContact O-N 2.91Å; S991-R993 VanDerWaalsContact C-N 3.28Å; S991-R993 PolarHBondContact O-N 2.85Å; S991-L994 WeakPolarHBondContact O-CB 3.19Å; S991-L994 PolarHBondContact O-N 3.48Å; S991-L994 VanDerWaalsContact O-N 3.15Å; S991-E995 PolarHBondContact O-N 3.07Å |
| 992 | H | 94.4 | Very high | 88.2 | Confident | 84 Ų | 84 | 87.7 Ų | 87.7 | 39% | 0.389 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64 | -31.7 | 172.9 | -75 | 90.6 | 0 | 0 | 0 | 113.2 | R865 S988 Q989 M990 L994 E995 P996 | R865-H992 VanDerWaalsContact CZ-CE1 3.43Å; R865-H992 PolarHBondContact NH2-CE1 3.38Å; R865-H992 VanDerWaalsContact NH2-CE1 3.34Å; R865-H992 PolarHBondContact NH2-ND1 2.83Å; R865-H992 VanDerWaalsContact NH2-ND1 3.18Å; S988-H992 PolarHBondContact O-N 2.77Å; S988-H992 PolarHBondContact O-ND1 2.72Å; Q989-H992 PolarHBondContact O-N 2.69Å; M990-H992 PolarHBondContact O-N 3.45Å; H992-L994 VanDerWaalsContact C-N 3.34Å; H992-E995 CarbonylContact O-C 3.5Å; H992-P996 WeakPolarHBondContact O-CA 3.19Å |
| 993 | R | 95.3 | Very high | 87.8 | Confident | 189 Ų | 189 | 91.6 Ų | 91.6 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72.4 | -29 | 174.3 | -65.5 | 171.8 | -170.5 | 170.6 | 5 | 112.1 | Q989 M990 S991 | Q989-R993 WeakPolarHBondContact O-CG 3.37Å; Q989-R993 PolarHBondContact O-N 3.17Å; Q989-R993 VanDerWaalsContact O-N 3.1Å; M990-R993 WeakPolarHBondContact O-CB 3.41Å; M990-R993 PolarHBondContact O-N 2.79Å; M990-R993 VanDerWaalsContact O-N 3.08Å; S991-R993 VanDerWaalsContact C-N 3.28Å; S991-R993 PolarHBondContact O-N 2.85Å |
| 994 | L | 95.8 | Very high | 87.4 | Confident | 42 Ų | 42 | 95.8 Ų | 95.8 | 22% | 0.22 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -73.5 | -45.6 | 175.9 | -66.7 | 178.1 | 0 | 0 | 0 | 112.3 | C820 L866 M990 S991 H992 | C820-L994 WeakPolarHBondContact O-CD1 3.32Å; L866-L994 HydrophobicContact CD2-CB 4.36Å; M990-L994 WeakPolarHBondContact O-CG 3.24Å; M990-L994 PolarHBondContact O-N 2.97Å; S991-L994 WeakPolarHBondContact O-CB 3.19Å; S991-L994 PolarHBondContact O-N 3.48Å; S991-L994 VanDerWaalsContact O-N 3.15Å; H992-L994 VanDerWaalsContact C-N 3.34Å |
| 995 | E | 95.1 | Very high | 87 | Confident | 17 Ų | 17 | 98 Ų | 98 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -137.4 | 88.3 | -179.6 | -64.8 | -175.8 | -156.1 | 0 | 0 | 110.3 | R828 L866 A867 L868 T869 S991 H992 | R828-E995 IonicContact CZ-OE1 3.99Å; R828-E995 IonicContact NE-OE1 2.65Å; R828-E995 IonicContact NH2-OE1 3.39Å; R828-E995 PolarHBondContact NH2-OE1 2.69Å; L866-E995 VanDerWaalsContact CA-OE2 3.29Å; L866-E995 WeakPolarHBondContact CA-OE2 3.25Å; L866-E995 HydrophobicContact CD2-CB 3.94Å; L866-E995 HydrophobicContact CD2-CG 3.87Å; A867-E995 PolarHBondContact N-OE2 3.23Å; L868-E995 WeakPolarHBondContact CB-OE2 3.34Å; L868-E995 HydrophobicContact CD1-CG 4.3Å; L868-E995 PolarHBondContact N-OE2 2.92Å; T869-E995 PolarHBondContact N-OE1 2.78Å; T869-E995 PolarHBondContact OG1-OE1 3.02Å; S991-E995 PolarHBondContact O-N 3.07Å; H992-E995 CarbonylContact O-C 3.5Å |
| 996 | P | 91.3 | Very high | 86.7 | Confident | 99 Ų | 99 | 92 Ų | 92 | 64% | 0.643 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 136 | 176 | -21.2 | 32.6 | 0 | 0 | 0 | 111.3 | H992 R998 | H992-P996 WeakPolarHBondContact O-CA 3.19Å; P996-R998 PolarHBondContact O-N 2.99Å |
| 997 | R | 75.4 | Confident | 86.1 | Confident | 203 Ų | 203 | 95.8 Ų | 95.8 | 77% | 0.766 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -64 | 129.5 | 168.9 | -99.5 | -179.8 | 167.7 | 152.4 | -4.6 | 108.5 | ||
| 998 | R | 56.2 | Low | 85.4 | Confident | 236 Ų | 236 | 103.8 Ų | 103.8 | 89% | 0.891 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 133.2 | 167.4 | -71.2 | -176.2 | -179.3 | -177.6 | 0.9 | 107.6 | P996 | P996-R998 PolarHBondContact O-N 2.99Š|
| 999 | P | 40.5 | Very low | 84.7 | Confident | 200 Ų | 200 | 110.7 Ų | 110.7 | 100% | 1.299 | 52% | 0.518 | S | S | * | . | trans | -60.9 | 0 | -178.4 | 25.8 | -33.6 | 0 | 0 | 0 | 112.6 |
Retrieved 999 of 999 residues in 227.2 ms
(Link to these results)