| 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 | 38.1 | Very low | 73.5 | Confident | 241 Ų | 241 | 101 Ų | 101 | 100% | 1.187 | 52% | 0.515 | S | S | * | . | 0 | 117 | 0 | -78.7 | 174.5 | 178.2 | 0 | 0 | 107.1 | Q3 | M1-Q3 PolarHBondContact O-N 3.3Å; M1-Q3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | T | 42 | Very low | 74.9 | Confident | 142 Ų | 142 | 106.9 Ų | 106.9 | 87% | 0.871 | 54% | 0.535 | S | S | * | . | trans | -58.3 | 113.5 | 175.5 | 31.3 | 0 | 0 | 0 | 0 | 108.7 | L4 | T2-L4 PolarHBondContact O-N 3.34Š| ||
| 3 | Q | 57.8 | Low | 76.1 | Confident | 192 Ų | 192 | 102.6 Ų | 102.6 | 90% | 0.897 | 51% | 0.512 | S | S | * | . | trans | -60.8 | 112.4 | 172.2 | -89.2 | 178.5 | -20.9 | 0 | 0 | 107.4 | M1 S5 | M1-Q3 PolarHBondContact O-N 3.3Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-S5 PolarHBondContact O-N 3.29Å | ||
| 4 | L | 67.6 | Low | 77.2 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | trans | -59.2 | 126.7 | 169.2 | -89.6 | 131 | 0 | 0 | 0 | 108.1 | T2 V6 H8 W9 | T2-L4 PolarHBondContact O-N 3.34Å; L4-V6 PolarHBondContact O-N 3.22Å; L4-H8 HydrophobicContact CD2-CB 4.23Å; L4-W9 PolarHBondContact O-NE1 3.4Å | ||
| 5 | S | 79.7 | Confident | 78.1 | Confident | 53 Ų | 53 | 89.9 Ų | 89.9 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | trans | -51.2 | 138.1 | 172.9 | 166.3 | 0 | 0 | 0 | 0 | 110 | Q3 R7 H8 | Q3-S5 PolarHBondContact O-N 3.29Å; S5-R7 PolarHBondContact O-N 2.69Å; S5-H8 PolarHBondContact O-N 3.32Å | ||
| 6 | V | 82.6 | Confident | 78.9 | Confident | 7 Ų | 7 | 93.8 Ų | 93.8 | 4% | 0.042 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -54.7 | -29.5 | -177.1 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | L4 H8 W9 G38 L42 L72 N76 | L4-V6 PolarHBondContact O-N 3.22Å; V6-H8 PolarHBondContact O-N 3.19Å; V6-H8 VanDerWaalsContact O-N 3.14Å; V6-W9 HydrophobicContact CB-CD2 4.39Å; V6-W9 HydrophobicContact CG1-CD2 4.12Å; V6-W9 HydrophobicContact CG1-CE3 4.11Å; V6-W9 HydrophobicContact CG1-CZ3 4.45Å; V6-W9 HydrophobicContact CG2-CD2 4.4Å; V6-W9 HydrophobicContact CG2-CH2 4.16Å; V6-W9 HydrophobicContact CG2-CZ2 3.79Å; V6-W9 WeakPolarHBondContact O-CB 3.33Å; V6-W9 PolarHBondContact O-N 3.29Å; V6-G38 WeakPolarHBondContact O-CA 3.5Å; V6-L42 HydrophobicContact CB-CD1 4.2Å; V6-L42 HydrophobicContact CG1-CD1 3.67Å; V6-L42 HydrophobicContact CG1-CD2 4.32Å; V6-L42 HydrophobicContact CG1-CG 3.87Å; V6-L72 HydrophobicContact CG1-CD2 4.29Å; V6-L72 HydrophobicContact CG2-CD1 4.07Å; V6-N76 VanDerWaalsContact CG2-OD1 3.3Å; V6-N76 WeakPolarHBondContact CG2-OD1 3.41Å |
| 7 | R | 81.9 | Confident | 79.8 | Confident | 111 Ų | 111 | 89.5 Ų | 89.5 | 42% | 0.419 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -55.4 | -30.2 | 174.5 | -170.8 | 178 | -176.7 | 167.8 | 6.8 | 113.9 | S5 T39 V79 E82 | S5-R7 PolarHBondContact O-N 2.69Å; R7-T39 HydrophobicContact CG-CG2 4.29Å; R7-V79 HydrophobicContact CB-CG1 4.16Å; R7-E82 IonicContact CZ-OE1 3.42Å; R7-E82 VanDerWaalsContact CZ-OE1 3.27Å; R7-E82 IonicContact CZ-OE2 3.78Å; R7-E82 IonicContact NH1-OE1 3.27Å; R7-E82 PolarHBondContact NH1-OE1 3.41Å; R7-E82 IonicContact NH1-OE2 3.77Å; R7-E82 PolarHBondContact NH1-OE2 3.24Å; R7-E82 IonicContact NH2-OE1 3.15Å; R7-E82 PolarHBondContact NH2-OE1 3.22Å |
| 8 | H | 85.2 | Confident | 80.4 | Confident | 121 Ų | 121 | 84.5 Ų | 84.5 | 56% | 0.56 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -99.9 | 9.5 | -177.2 | -59.4 | 93.5 | 0 | 0 | 0 | 112.8 | L4 S5 V6 T10 | L4-H8 HydrophobicContact CD2-CB 4.23Å; S5-H8 PolarHBondContact O-N 3.32Å; V6-H8 PolarHBondContact O-N 3.19Å; V6-H8 VanDerWaalsContact O-N 3.14Å; H8-T10 PolarHBondContact O-N 3.47Å |
| 9 | W | 91.6 | Very high | 81 | Confident | 42 Ų | 42 | 86.6 Ų | 86.6 | 16% | 0.159 | 42% | 0.419 | C | S | . | . | trans | -73.2 | 115.1 | 179.9 | -73.6 | 15.1 | 0 | 0 | 0 | 110.8 | L4 V6 H13 V14 W17 D37 G38 L41 L72 | L4-W9 PolarHBondContact O-NE1 3.4Å; V6-W9 HydrophobicContact CB-CD2 4.39Å; V6-W9 HydrophobicContact CG1-CD2 4.12Å; V6-W9 HydrophobicContact CG1-CE3 4.11Å; V6-W9 HydrophobicContact CG1-CZ3 4.45Å; V6-W9 HydrophobicContact CG2-CD2 4.4Å; V6-W9 HydrophobicContact CG2-CH2 4.16Å; V6-W9 HydrophobicContact CG2-CZ2 3.79Å; V6-W9 WeakPolarHBondContact O-CB 3.33Å; V6-W9 PolarHBondContact O-N 3.29Å; W9-H13 HydrophobicContact CB-CB 3.83Å; W9-H13 HydrophobicContact CD2-CB 4.28Å; W9-H13 HydrophobicContact CG-CB 3.86Å; W9-V14 HydrophobicContact CB-CG2 4.33Å; W9-V14 HydrophobicContact CE3-CG2 4.26Å; W9-W17 HydrophobicContact CH2-CB 4.06Å; W9-W17 AromaticContact CH2-CD1 3.63Å; W9-W17 AromaticContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CZ3-CB 3.69Å; W9-W17 AromaticContact CZ3-CD1 3.88Å; W9-W17 HydrophobicContact CZ3-CD2 4.21Å; W9-W17 AromaticContact CZ3-CG 3.61Å; W9-W17 HydrophobicContact CZ3-CG 3.61Å; W9-D37 WeakPolarHBondContact O-CB 3.4Å; W9-G38 PolarHBondContact O-N 3.38Å; W9-L41 HydrophobicContact CZ3-CD2 4.36Å; W9-L72 HydrophobicContact CH2-CD1 4.17Å; W9-L72 HydrophobicContact CH2-CD2 4.48Å; W9-L72 HydrophobicContact CZ3-CD2 4.12Å | ||
| 10 | T | 90.8 | Very high | 81.5 | Confident | 64 Ų | 64 | 89.5 Ų | 89.5 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | trans | -73.1 | 167.2 | 166.8 | 69.3 | 0 | 0 | 0 | 0 | 111 | H8 K12 H13 V14 | H8-T10 PolarHBondContact O-N 3.47Å; T10-K12 PolarHBondContact O-N 3.17Å; T10-H13 PolarHBondContact N-ND1 2.65Å; T10-H13 WeakPolarHBondContact O-CA 3.47Å; T10-H13 WeakPolarHBondContact O-CB 3.31Å; T10-H13 PolarHBondContact O-N 3.04Å; T10-H13 PolarHBondContact OG1-ND1 2.96Å; T10-V14 PolarHBondContact O-N 3.15Å; T10-V14 VanDerWaalsContact O-N 3.13Å | ||
| 11 | P | 91.1 | Very high | 82 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 24% | 0.24 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -54.9 | -26.2 | 176.3 | -28.7 | 36.1 | 0 | 0 | 0 | 114.2 | A15 C31 L36 | P11-A15 VanDerWaalsContact O-CB 3.28Å; P11-A15 WeakPolarHBondContact O-CB 3.46Å; P11-A15 PolarHBondContact O-N 3.13Å; P11-C31 HydrophobicContact CB-CB 4.41Å; P11-L36 WeakPolarHBondContact CA-O 3.35Å |
| 12 | K | 90.3 | Very high | 84.4 | Confident | 172 Ų | 172 | 79.9 Ų | 79.9 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.5 | -33 | 174.2 | -64.3 | -175.2 | 179.6 | -179.8 | 0 | 112.9 | T10 R16 | T10-K12 PolarHBondContact O-N 3.17Å; K12-R16 PolarHBondContact O-N 3.33Å |
| 13 | H | 91.3 | Very high | 86.8 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.3 | -42 | 175.9 | -63.6 | 94.7 | 0 | 0 | 0 | 110.7 | W9 T10 A15 R16 W17 | W9-H13 HydrophobicContact CB-CB 3.83Å; W9-H13 HydrophobicContact CD2-CB 4.28Å; W9-H13 HydrophobicContact CG-CB 3.86Å; T10-H13 PolarHBondContact N-ND1 2.65Å; T10-H13 WeakPolarHBondContact O-CA 3.47Å; T10-H13 WeakPolarHBondContact O-CB 3.31Å; T10-H13 PolarHBondContact O-N 3.04Å; T10-H13 PolarHBondContact OG1-ND1 2.96Å; H13-A15 VanDerWaalsContact C-N 3.31Å; H13-A15 PolarHBondContact O-N 3.26Å; H13-R16 WeakPolarHBondContact O-CB 3.26Å; H13-R16 PolarHBondContact O-N 3.44Å; H13-R16 VanDerWaalsContact O-N 3.15Å; H13-W17 PolarHBondContact O-N 3.31Å |
| 14 | V | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 172.3 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | W9 T10 R16 W17 L18 L36 L41 | W9-V14 HydrophobicContact CB-CG2 4.33Å; W9-V14 HydrophobicContact CE3-CG2 4.26Å; T10-V14 PolarHBondContact O-N 3.15Å; T10-V14 VanDerWaalsContact O-N 3.13Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.37Å; V14-W17 PolarHBondContact O-N 3.03Å; V14-L18 HydrophobicContact CG1-CD1 4.14Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.17Å; V14-L36 WeakPolarHBondContact CG2-O 3.46Å; V14-L41 HydrophobicContact CG1-CD1 4.38Å; V14-L41 HydrophobicContact CG1-CD2 4.12Å; V14-L41 HydrophobicContact CG2-CD2 4.4Å |
| 15 | A | 90.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -37.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P11 H13 K19 V27 C31 | P11-A15 VanDerWaalsContact O-CB 3.28Å; P11-A15 WeakPolarHBondContact O-CB 3.46Å; P11-A15 PolarHBondContact O-N 3.13Å; H13-A15 VanDerWaalsContact C-N 3.31Å; H13-A15 PolarHBondContact O-N 3.26Å; A15-K19 WeakPolarHBondContact O-CG 3.46Å; A15-K19 PolarHBondContact O-N 3.28Å; A15-V27 HydrophobicContact CB-CG1 3.62Å; A15-C31 HydrophobicContact CB-CB 4.09Å; A15-C31 PolarHBondContact N-SG 3.32Å |
| 16 | R | 91.6 | Very high | 89.8 | Confident | 152 Ų | 152 | 69.5 Ų | 69.5 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.1 | -46.2 | 175.5 | -172.9 | -177.2 | -63 | 148.4 | 1.3 | 110.9 | K12 H13 V14 L18 K19 E20 | K12-R16 PolarHBondContact O-N 3.33Å; H13-R16 WeakPolarHBondContact O-CB 3.26Å; H13-R16 PolarHBondContact O-N 3.44Å; H13-R16 VanDerWaalsContact O-N 3.15Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.37Å; R16-L18 PolarHBondContact O-N 3.44Å; R16-K19 PolarHBondContact O-N 3.22Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 3.34Å |
| 17 | W | 93.6 | Very high | 90.2 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.1 | 178 | 80.1 | 0 | 0 | 0 | 112.4 | W9 H13 V14 K19 E20 E21 L41 L65 I69 L72 | W9-W17 HydrophobicContact CH2-CB 4.06Å; W9-W17 AromaticContact CH2-CD1 3.63Å; W9-W17 AromaticContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CH2-CG 3.84Å; W9-W17 HydrophobicContact CZ3-CB 3.69Å; W9-W17 AromaticContact CZ3-CD1 3.88Å; W9-W17 HydrophobicContact CZ3-CD2 4.21Å; W9-W17 AromaticContact CZ3-CG 3.61Å; W9-W17 HydrophobicContact CZ3-CG 3.61Å; H13-W17 PolarHBondContact O-N 3.31Å; V14-W17 PolarHBondContact O-N 3.03Å; W17-K19 VanDerWaalsContact C-N 3.29Å; W17-K19 PolarHBondContact O-N 2.79Å; W17-E20 PolarHBondContact O-N 3.18Å; W17-E20 VanDerWaalsContact O-N 3.17Å; W17-E21 HydrophobicContact CD2-CG 4.16Å; W17-E21 HydrophobicContact CH2-CG 4.34Å; W17-E21 HydrophobicContact CZ2-CG 3.78Å; W17-E21 PolarHBondContact O-N 2.97Å; W17-L41 HydrophobicContact CD2-CD2 4.38Å; W17-L41 HydrophobicContact CE3-CD2 3.83Å; W17-L41 HydrophobicContact CH2-CD2 4.47Å; W17-L41 HydrophobicContact CZ3-CD1 4.1Å; W17-L41 HydrophobicContact CZ3-CD2 3.89Å; W17-L65 HydrophobicContact CZ3-CD1 4.41Å; W17-I69 HydrophobicContact CH2-CG1 4.08Å; W17-L72 HydrophobicContact CZ2-CB 4.33Å; W17-L72 HydrophobicContact CZ2-CD2 4.11Å |
| 18 | L | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -38.6 | 175.4 | -77.1 | 171.8 | 0 | 0 | 0 | 112.2 | V14 R16 G22 F23 V27 L30 L65 | V14-L18 HydrophobicContact CG1-CD1 4.14Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CB 3.49Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.17Å; R16-L18 PolarHBondContact O-N 3.44Å; L18-G22 PolarHBondContact O-N 3.33Å; L18-F23 HydrophobicContact CB-CB 4.42Å; L18-F23 HydrophobicContact CD2-CB 4.03Å; L18-F23 HydrophobicContact CD2-CD2 4.5Å; L18-F23 WeakPolarHBondContact O-CA 3.35Å; L18-F23 PolarHBondContact O-N 3.02Å; L18-V27 HydrophobicContact CB-CG2 3.99Å; L18-V27 HydrophobicContact CD1-CG2 4.43Å; L18-L30 HydrophobicContact CD1-CB 4.04Å; L18-L30 HydrophobicContact CD1-CD1 3.85Å; L18-L30 HydrophobicContact CD2-CD1 4.14Å; L18-L65 HydrophobicContact CD2-CD1 3.72Å |
| 19 | K | 91.7 | Very high | 90.7 | Very high | 125 Ų | 125 | 65.9 Ų | 65.9 | 54% | 0.543 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 175.8 | -70.7 | 178.1 | -178 | -172.1 | 0 | 112.2 | A15 R16 W17 E21 G22 V27 | A15-K19 WeakPolarHBondContact O-CG 3.46Å; A15-K19 PolarHBondContact O-N 3.28Å; R16-K19 PolarHBondContact O-N 3.22Å; W17-K19 VanDerWaalsContact C-N 3.29Å; W17-K19 PolarHBondContact O-N 2.79Å; K19-E21 VanDerWaalsContact C-N 3.34Å; K19-G22 PolarHBondContact O-N 3.25Å; K19-V27 HydrophobicContact CG-CG2 3.97Å |
| 20 | E | 91.4 | Very high | 90.6 | Very high | 143 Ų | 143 | 64.1 Ų | 64.1 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.8 | -36 | 177.1 | -71.6 | 170.9 | -171.9 | 0 | 0 | 112.1 | R16 W17 G22 | R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 3.34Å; W17-E20 PolarHBondContact O-N 3.18Å; W17-E20 VanDerWaalsContact O-N 3.17Å; E20-G22 VanDerWaalsContact C-N 3.28Å; E20-G22 PolarHBondContact O-N 3.48Å |
| 21 | E | 90 | Very high | 90.6 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.7 | 176.1 | -68.6 | -73.9 | 140.4 | 0 | 0 | 113.7 | W17 K19 F23 S68 | W17-E21 HydrophobicContact CD2-CG 4.16Å; W17-E21 HydrophobicContact CH2-CG 4.34Å; W17-E21 HydrophobicContact CZ2-CG 3.78Å; W17-E21 PolarHBondContact O-N 2.97Å; K19-E21 VanDerWaalsContact C-N 3.34Å; E21-F23 HydrophobicContact CB-CD2 3.82Å; E21-F23 HydrophobicContact CB-CE2 3.99Å; E21-F23 WeakPolarHBondContact O-CE2 3.24Å; E21-S68 VanDerWaalsContact OE2-CB 3.26Å; E21-S68 WeakPolarHBondContact OE2-CB 3.38Å; E21-S68 PolarHBondContact OE2-OG 3.02Å |
| 22 | G | 89.8 | Confident | 90.3 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 62% | 0.619 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 17.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | L18 K19 E20 | L18-G22 PolarHBondContact O-N 3.33Å; K19-G22 PolarHBondContact O-N 3.25Å; E20-G22 VanDerWaalsContact C-N 3.28Å; E20-G22 PolarHBondContact O-N 3.48Å |
| 23 | F | 91.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | trans | -105.4 | 46 | -179.5 | -61.2 | -75.3 | 0 | 0 | 0 | 112.9 | L18 E21 D25 Y26 R64 L65 | L18-F23 HydrophobicContact CB-CB 4.42Å; L18-F23 HydrophobicContact CD2-CB 4.03Å; L18-F23 HydrophobicContact CD2-CD2 4.5Å; L18-F23 WeakPolarHBondContact O-CA 3.35Å; L18-F23 PolarHBondContact O-N 3.02Å; E21-F23 HydrophobicContact CB-CD2 3.82Å; E21-F23 HydrophobicContact CB-CE2 3.99Å; E21-F23 WeakPolarHBondContact O-CE2 3.24Å; F23-D25 VanDerWaalsContact C-N 3.3Å; F23-D25 PolarHBondContact O-N 3.48Å; F23-Y26 HydrophobicContact CB-CD2 4.15Å; F23-Y26 HydrophobicContact CD1-CD2 4.01Å; F23-Y26 HydrophobicContact CD1-CE2 4.28Å; F23-Y26 PolarHBondContact O-N 3.38Å; F23-R64 HydrophobicContact CE1-CB 4.02Å; F23-R64 HydrophobicContact CZ-CB 3.7Å; F23-L65 HydrophobicContact CD1-CB 4.34Å; F23-L65 HydrophobicContact CD1-CD1 4.5Å; F23-L65 HydrophobicContact CD2-CD1 3.86Å; F23-L65 HydrophobicContact CE1-CB 3.86Å; F23-L65 HydrophobicContact CE2-CB 4.32Å; F23-L65 HydrophobicContact CE2-CD1 3.99Å; F23-L65 HydrophobicContact CG-CD1 4.13Å; F23-L65 VanDerWaalsContact CZ-CA 3.46Å; F23-L65 HydrophobicContact CZ-CB 3.86Å; F23-L65 HydrophobicContact CZ-CD1 4.37Å; F23-L65 VanDerWaalsContact CZ-N 3.27Å | ||
| 24 | C | 89.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 63.8 Ų | 63.8 | 47% | 0.473 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -56.8 | -40 | -177.5 | -67 | 0 | 0 | 0 | 0 | 113.4 | Y26 V27 | C24-Y26 PolarHBondContact O-N 3.41Å; C24-V27 WeakPolarHBondContact O-CB 3.45Å; C24-V27 WeakPolarHBondContact O-CG2 3.33Å; C24-V27 PolarHBondContact O-N 2.85Å |
| 25 | D | 89.4 | Confident | 90.1 | Very high | 149 Ų | 149 | 72.8 Ų | 72.8 | 80% | 0.797 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -67.4 | -20.3 | -176 | -58.5 | -30.6 | 0 | 0 | 0 | 113.1 | F23 | F23-D25 VanDerWaalsContact C-N 3.3Å; F23-D25 PolarHBondContact O-N 3.48Å |
| 26 | Y | 89.9 | Confident | 90 | Very high | 35 Ų | 35 | 73 Ų | 73 | 14% | 0.137 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -96.2 | -2.9 | -178.7 | -60.9 | -61.1 | 0 | 0 | 0 | 113.7 | F23 C24 D28 L29 L30 L56 D61 | F23-Y26 HydrophobicContact CB-CD2 4.15Å; F23-Y26 HydrophobicContact CD1-CD2 4.01Å; F23-Y26 HydrophobicContact CD1-CE2 4.28Å; F23-Y26 PolarHBondContact O-N 3.38Å; C24-Y26 PolarHBondContact O-N 3.41Å; Y26-D28 PolarHBondContact O-N 2.98Å; Y26-L29 HydrophobicContact CD1-CD2 4.49Å; Y26-L29 PolarHBondContact O-N 2.86Å; Y26-L30 VanDerWaalsContact O-CB 3.26Å; Y26-L30 WeakPolarHBondContact O-CB 3.49Å; Y26-L30 WeakPolarHBondContact O-CG 3.48Å; Y26-L30 PolarHBondContact O-N 3.25Å; Y26-L56 HydrophobicContact CD1-CD2 3.32Å; Y26-L56 HydrophobicContact CE1-CD2 3.06Å; Y26-L56 HydrophobicContact CG-CD2 4.23Å; Y26-D61 HydrophobicContact CE2-CB 3.74Å; Y26-D61 WeakPolarHBondContact OH-CB 3.19Å; Y26-D61 PolarHBondContact OH-OD2 3.47Å |
| 27 | V | 90.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | -179.5 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | A15 L18 K19 C24 L29 C31 N32 | A15-V27 HydrophobicContact CB-CG1 3.62Å; L18-V27 HydrophobicContact CB-CG2 3.99Å; L18-V27 HydrophobicContact CD1-CG2 4.43Å; K19-V27 HydrophobicContact CG-CG2 3.97Å; C24-V27 WeakPolarHBondContact O-CB 3.45Å; C24-V27 WeakPolarHBondContact O-CG2 3.33Å; C24-V27 PolarHBondContact O-N 2.85Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3Å; V27-C31 HydrophobicContact CG1-CB 4.48Å; V27-C31 WeakPolarHBondContact O-CA 3.5Å; V27-C31 VanDerWaalsContact O-CB 3.28Å; V27-C31 WeakPolarHBondContact O-CB 3.49Å; V27-C31 PolarHBondContact O-N 3.02Å; V27-N32 PolarHBondContact O-N 3.12Å |
| 28 | D | 88.9 | Confident | 89.6 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 59% | 0.588 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -65.3 | -39.9 | 179.5 | -74.7 | -35.3 | 0 | 0 | 0 | 111.7 | Y26 N32 K33 | Y26-D28 PolarHBondContact O-N 2.98Å; D28-N32 CarbonylContact O-C 3.51Å; D28-N32 WeakPolarHBondContact O-CA 3.37Å; D28-N32 VanDerWaalsContact O-CB 3.31Å; D28-N32 WeakPolarHBondContact O-CB 3.5Å; D28-N32 PolarHBondContact O-N 2.9Å; D28-N32 PolarHBondContact OD1-ND2 3.17Å; D28-K33 PolarHBondContact O-N 3.41Å |
| 29 | L | 89.8 | Confident | 89.4 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 23% | 0.225 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -68.3 | -57.5 | 177.7 | -175.2 | 66.9 | 0 | 0 | 0 | 111.1 | Y26 V27 K33 H34 L54 L56 | Y26-L29 HydrophobicContact CD1-CD2 4.49Å; Y26-L29 PolarHBondContact O-N 2.86Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3Å; L29-K33 HydrophobicContact CD1-CD 3.99Å; L29-K33 WeakPolarHBondContact O-CB 3.22Å; L29-H34 PolarHBondContact O-CD2 3.01Å; L29-H34 PolarHBondContact O-N 3.12Å; L29-L54 HydrophobicContact CG-CD2 4.38Å; L29-L56 HydrophobicContact CD2-CD2 4.08Å |
| 30 | L | 89.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -73.2 | -41.4 | -171 | -67.4 | 175 | 0 | 0 | 0 | 112.6 | L18 Y26 H34 R35 L36 L54 L65 | L18-L30 HydrophobicContact CD1-CB 4.04Å; L18-L30 HydrophobicContact CD1-CD1 3.85Å; L18-L30 HydrophobicContact CD2-CD1 4.14Å; Y26-L30 VanDerWaalsContact O-CB 3.26Å; Y26-L30 WeakPolarHBondContact O-CB 3.49Å; Y26-L30 WeakPolarHBondContact O-CG 3.48Å; Y26-L30 PolarHBondContact O-N 3.25Å; L30-H34 CarbonylContact O-C 3.31Å; L30-R35 PolarHBondContact O-N 3.29Å; L30-L36 HydrophobicContact CB-CD1 3.82Å; L30-L36 HydrophobicContact CD2-CD1 3.51Å; L30-L36 HydrophobicContact CG-CD1 4.2Å; L30-L36 WeakPolarHBondContact O-CB 3.43Å; L30-L36 WeakPolarHBondContact O-CG 3.4Å; L30-L36 PolarHBondContact O-N 3.32Å; L30-L54 HydrophobicContact CD2-CD1 3.79Å; L30-L54 HydrophobicContact CD2-CD2 3.64Å; L30-L54 HydrophobicContact CD2-CG 4.36Å; L30-L65 HydrophobicContact CD1-CD2 4.03Å |
| 31 | C | 90 | Very high | 89.1 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -100.7 | -40.2 | -173.2 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | P11 A15 V27 R35 | P11-C31 HydrophobicContact CB-CB 4.41Å; A15-C31 HydrophobicContact CB-CB 4.09Å; A15-C31 PolarHBondContact N-SG 3.32Å; V27-C31 HydrophobicContact CG1-CB 4.48Å; V27-C31 WeakPolarHBondContact O-CA 3.5Å; V27-C31 VanDerWaalsContact O-CB 3.28Å; V27-C31 WeakPolarHBondContact O-CB 3.49Å; V27-C31 PolarHBondContact O-N 3.02Å; C31-R35 VanDerWaalsContact O-CA 3.28Å; C31-R35 WeakPolarHBondContact O-CA 3.22Å; C31-R35 PolarHBondContact O-N 3.05Å |
| 32 | N | 85.9 | Confident | 89 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -85.6 | -41.5 | -177.1 | -65.6 | -29.7 | 0 | 0 | 0 | 112.2 | V27 D28 | V27-N32 PolarHBondContact O-N 3.12Å; D28-N32 CarbonylContact O-C 3.51Å; D28-N32 WeakPolarHBondContact O-CA 3.37Å; D28-N32 VanDerWaalsContact O-CB 3.31Å; D28-N32 WeakPolarHBondContact O-CB 3.5Å; D28-N32 PolarHBondContact O-N 2.9Å; D28-N32 PolarHBondContact OD1-ND2 3.17Å |
| 33 | K | 87.3 | Confident | 88.8 | Confident | 147 Ų | 147 | 55 Ų | 55 | 64% | 0.639 | 29% | 0.285 | S | S | * | . | I | π-helix | trans | -85.6 | -48.1 | 179.2 | -167.3 | -175.2 | -178.6 | -170.3 | 0 | 112.8 | D28 L29 | D28-K33 PolarHBondContact O-N 3.41Å; L29-K33 HydrophobicContact CD1-CD 3.99Å; L29-K33 WeakPolarHBondContact O-CB 3.22Å |
| 34 | H | 88.9 | Confident | 88.6 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 26% | 0.255 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -98.8 | -3 | -175.6 | -67.4 | -67.4 | 0 | 0 | 0 | 115 | L29 L30 L36 P53 L54 | L29-H34 PolarHBondContact O-CD2 3.01Å; L29-H34 PolarHBondContact O-N 3.12Å; L30-H34 CarbonylContact O-C 3.31Å; H34-L36 PolarHBondContact O-N 3.19Å; H34-P53 PolarHBondContact NE2-O 3.25Å; H34-L54 HydrophobicContact CB-CD2 4.17Å; H34-L54 WeakPolarHBondContact CD2-CD2 3.35Å |
| 35 | R | 90.3 | Very high | 88.3 | Confident | 189 Ų | 189 | 53.4 Ų | 53.4 | 71% | 0.713 | 28% | 0.276 | S | S | * | . | trans | 51.6 | 38.1 | 172.2 | -58.8 | -174.3 | 65.8 | -159.1 | -2.7 | 114.4 | L30 C31 D37 | L30-R35 PolarHBondContact O-N 3.29Å; C31-R35 VanDerWaalsContact O-CA 3.28Å; C31-R35 WeakPolarHBondContact O-CA 3.22Å; C31-R35 PolarHBondContact O-N 3.05Å; R35-D37 PolarHBondContact O-N 3.13Å | ||
| 36 | L | 89.4 | Confident | 88 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | trans | -62.4 | 122.1 | 178.1 | -72.2 | 168.3 | 0 | 0 | 0 | 111.3 | P11 V14 L30 H34 L44 | P11-L36 WeakPolarHBondContact CA-O 3.35Å; V14-L36 WeakPolarHBondContact CG2-O 3.46Å; L30-L36 HydrophobicContact CB-CD1 3.82Å; L30-L36 HydrophobicContact CD2-CD1 3.51Å; L30-L36 HydrophobicContact CG-CD1 4.2Å; L30-L36 WeakPolarHBondContact O-CB 3.43Å; L30-L36 WeakPolarHBondContact O-CG 3.4Å; L30-L36 PolarHBondContact O-N 3.32Å; H34-L36 PolarHBondContact O-N 3.19Å; L36-L44 HydrophobicContact CD1-CD1 3.86Å; L36-L44 HydrophobicContact CD2-CD1 3.79Å | ||
| 37 | D | 90.1 | Very high | 87.6 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | trans | -98.3 | 176.4 | 170 | 62.4 | 5.4 | 0 | 0 | 0 | 110.9 | W9 R35 T39 S40 L41 | W9-D37 WeakPolarHBondContact O-CB 3.4Å; R35-D37 PolarHBondContact O-N 3.13Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 PolarHBondContact O-N 2.92Å; D37-T39 PolarHBondContact OD1-OG1 2.99Å; D37-T39 PolarHBondContact OD2-OG1 2.97Å; D37-S40 PolarHBondContact O-N 3.49Å; D37-S40 WeakPolarHBondContact OD1-CB 3.32Å; D37-S40 PolarHBondContact OD1-N 3.32Å; D37-S40 PolarHBondContact OD1-OG 3.38Å; D37-L41 WeakPolarHBondContact O-CB 3.31Å; D37-L41 PolarHBondContact O-N 2.81Å | ||
| 38 | G | 87.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -36 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V6 W9 L41 L42 | V6-G38 WeakPolarHBondContact O-CA 3.5Å; W9-G38 PolarHBondContact O-N 3.38Å; G38-L41 PolarHBondContact O-N 3.2Å; G38-L42 VanDerWaalsContact O-CG 3.31Å; G38-L42 WeakPolarHBondContact O-CG 3.3Å; G38-L42 PolarHBondContact O-N 3.1Å |
| 39 | T | 86.2 | Confident | 87.4 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | 175.5 | 42.7 | 0 | 0 | 0 | 0 | 111.3 | R7 D37 L41 L42 A43 L83 | R7-T39 HydrophobicContact CG-CG2 4.29Å; D37-T39 VanDerWaalsContact C-N 3.33Å; D37-T39 PolarHBondContact O-N 2.92Å; D37-T39 PolarHBondContact OD1-OG1 2.99Å; D37-T39 PolarHBondContact OD2-OG1 2.97Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 2.85Å; T39-L42 PolarHBondContact O-N 3.17Å; T39-A43 PolarHBondContact O-N 3.46Å; T39-L83 HydrophobicContact CG2-CD1 4.13Å |
| 40 | S | 87.9 | Confident | 87.2 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 175.8 | -55 | 0 | 0 | 0 | 0 | 112.2 | D37 A43 L44 | D37-S40 PolarHBondContact O-N 3.49Å; D37-S40 WeakPolarHBondContact OD1-CB 3.32Å; D37-S40 PolarHBondContact OD1-N 3.32Å; D37-S40 PolarHBondContact OD1-OG 3.38Å; S40-A43 PolarHBondContact O-N 2.95Å; S40-L44 PolarHBondContact O-N 3.48Å; S40-L44 VanDerWaalsContact O-N 3.13Å |
| 41 | L | 89.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.7 | -176.6 | 70.6 | 0 | 0 | 0 | 111.7 | W9 V14 W17 D37 G38 T39 L44 I69 L72 | W9-L41 HydrophobicContact CZ3-CD2 4.36Å; V14-L41 HydrophobicContact CG1-CD1 4.38Å; V14-L41 HydrophobicContact CG1-CD2 4.12Å; V14-L41 HydrophobicContact CG2-CD2 4.4Å; W17-L41 HydrophobicContact CD2-CD2 4.38Å; W17-L41 HydrophobicContact CE3-CD2 3.83Å; W17-L41 HydrophobicContact CH2-CD2 4.47Å; W17-L41 HydrophobicContact CZ3-CD1 4.1Å; W17-L41 HydrophobicContact CZ3-CD2 3.89Å; D37-L41 WeakPolarHBondContact O-CB 3.31Å; D37-L41 PolarHBondContact O-N 2.81Å; G38-L41 PolarHBondContact O-N 3.2Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 2.85Å; L41-L44 VanDerWaalsContact O-CB 3.32Å; L41-L44 WeakPolarHBondContact O-CB 3.28Å; L41-L44 PolarHBondContact O-N 3.21Å; L41-I69 HydrophobicContact CD1-CD1 4.08Å; L41-I69 HydrophobicContact CD1-CG1 4.06Å; L41-I69 WeakPolarHBondContact O-CG2 3.29Å; L41-L72 HydrophobicContact CD2-CD2 3.59Å; L41-L72 HydrophobicContact CG-CD2 4.33Å |
| 42 | L | 87.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.2 | -30.7 | 176.6 | -73.7 | 174.4 | 0 | 0 | 0 | 112.6 | V6 G38 T39 L44 L72 Q73 N76 V79 L80 | V6-L42 HydrophobicContact CB-CD1 4.2Å; V6-L42 HydrophobicContact CG1-CD1 3.67Å; V6-L42 HydrophobicContact CG1-CD2 4.32Å; V6-L42 HydrophobicContact CG1-CG 3.87Å; G38-L42 VanDerWaalsContact O-CG 3.31Å; G38-L42 WeakPolarHBondContact O-CG 3.3Å; G38-L42 PolarHBondContact O-N 3.1Å; T39-L42 PolarHBondContact O-N 3.17Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L72 HydrophobicContact CD2-CD2 4.3Å; L42-L72 HydrophobicContact CD2-CG 4.09Å; L42-Q73 HydrophobicContact CD2-CG 4.01Å; L42-Q73 PolarHBondContact O-NE2 2.97Å; L42-N76 HydrophobicContact CD1-CB 4.43Å; L42-N76 HydrophobicContact CD2-CB 4.46Å; L42-V79 HydrophobicContact CD1-CG1 4.18Å; L42-L80 HydrophobicContact CB-CD1 4.42Å |
| 43 | A | 85.4 | Confident | 86 | Confident | 48 Ų | 48 | 57 Ų | 57 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T39 S40 S45 V85 | T39-A43 PolarHBondContact O-N 3.46Å; S40-A43 PolarHBondContact O-N 2.95Å; A43-S45 PolarHBondContact O-N 2.95Å; A43-V85 HydrophobicContact CB-CG2 4.38Å |
| 44 | L | 86.3 | Confident | 85.9 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | trans | -69.5 | 126.8 | -170.9 | -152.7 | 111.5 | 0 | 0 | 0 | 112.1 | L36 S40 L41 L42 D48 L49 I69 | L36-L44 HydrophobicContact CD1-CD1 3.86Å; L36-L44 HydrophobicContact CD2-CD1 3.79Å; S40-L44 PolarHBondContact O-N 3.48Å; S40-L44 VanDerWaalsContact O-N 3.13Å; L41-L44 VanDerWaalsContact O-CB 3.32Å; L41-L44 WeakPolarHBondContact O-CB 3.28Å; L41-L44 PolarHBondContact O-N 3.21Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L44-D48 HydrophobicContact CG-CB 4.44Å; L44-L49 HydrophobicContact CD2-CD1 4.07Å; L44-L49 HydrophobicContact CD2-CD2 3.38Å; L44-L49 HydrophobicContact CD2-CG 3.53Å; L44-I69 HydrophobicContact CB-CD1 4.37Å; L44-I69 HydrophobicContact CD2-CD1 3.65Å | ||
| 45 | S | 84.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | trans | -100.4 | 164.9 | 178.4 | 78.7 | 0 | 0 | 0 | 0 | 112.6 | A43 Y47 D48 L49 | A43-S45 PolarHBondContact O-N 2.95Å; S45-Y47 PolarHBondContact O-N 3.31Å; S45-Y47 PolarHBondContact OG-N 2.9Å; S45-D48 VanDerWaalsContact CB-OD2 3.29Å; S45-D48 WeakPolarHBondContact CB-OD2 3.49Å; S45-D48 PolarHBondContact N-OD2 3.47Å; S45-D48 PolarHBondContact O-N 2.87Å; S45-D48 PolarHBondContact OG-N 2.79Å; S45-D48 PolarHBondContact OG-OD2 3.06Å; S45-L49 PolarHBondContact O-N 3.29Å | ||
| 46 | E | 83.1 | Confident | 85.6 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -25 | 172.7 | -174.8 | 171.4 | 174.3 | 0 | 0 | 111.9 | R50 I62 K63 M66 | E46-R50 WeakPolarHBondContact O-CG 3.44Å; E46-R50 IonicContact OE1-CZ 2.64Å; E46-R50 VanDerWaalsContact OE1-CZ 3.25Å; E46-R50 IonicContact OE1-NE 2.66Å; E46-R50 PolarHBondContact OE1-NE 2.78Å; E46-R50 IonicContact OE1-NH2 3.25Å; E46-R50 PolarHBondContact OE1-NH2 2.64Å; E46-I62 HydrophobicContact CG-CG2 4.27Å; E46-K63 VanDerWaalsContact OE1-CE 3.22Å; E46-K63 WeakPolarHBondContact OE1-CE 3.23Å; E46-K63 IonicContact OE1-NZ 2.99Å; E46-K63 PolarHBondContact OE1-NZ 3.13Å; E46-K63 IonicContact OE2-NZ 2.64Å; E46-K63 PolarHBondContact OE2-NZ 2.83Å; E46-M66 HydrophobicContact CB-CG 4.33Å; E46-M66 HydrophobicContact CB-SD 4.02Å |
| 47 | Y | 80.5 | Confident | 85.5 | Confident | 131 Ų | 131 | 54.1 Ų | 54.1 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.6 | -47.5 | 175.7 | 178.5 | -96 | 0 | 0 | 0 | 110.5 | S45 L49 R50 S51 Q125 | S45-Y47 PolarHBondContact O-N 3.31Å; S45-Y47 PolarHBondContact OG-N 2.9Å; Y47-L49 PolarHBondContact O-N 3.08Å; Y47-R50 PolarHBondContact O-N 3.26Å; Y47-S51 WeakPolarHBondContact CE1-OG 3.33Å; Y47-S51 PolarHBondContact O-N 3.36Å; Y47-S51 PolarHBondContact O-OG 3.49Å; Y47-Q125 VanDerWaalsContact CZ-NE2 3.34Å; Y47-Q125 PolarHBondContact OH-NE2 3.17Å |
| 48 | D | 87.2 | Confident | 85.4 | Confident | 60 Ų | 60 | 55 Ų | 55 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -33.8 | -177.5 | -54.7 | -47.8 | 0 | 0 | 0 | 112.7 | L44 S45 R50 L54 | L44-D48 HydrophobicContact CG-CB 4.44Å; S45-D48 VanDerWaalsContact CB-OD2 3.29Å; S45-D48 WeakPolarHBondContact CB-OD2 3.49Å; S45-D48 PolarHBondContact N-OD2 3.47Å; S45-D48 PolarHBondContact O-N 2.87Å; S45-D48 PolarHBondContact OG-N 2.79Å; S45-D48 PolarHBondContact OG-OD2 3.06Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 3.05Å; D48-L54 WeakPolarHBondContact O-CB 3.14Å; D48-L54 WeakPolarHBondContact O-CD1 3.4Å |
| 49 | L | 87.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -30.2 | 174.6 | -70.5 | 175.3 | 0 | 0 | 0 | 112.9 | L44 S45 Y47 L54 L56 I62 L65 M66 | L44-L49 HydrophobicContact CD2-CD1 4.07Å; L44-L49 HydrophobicContact CD2-CD2 3.38Å; L44-L49 HydrophobicContact CD2-CG 3.53Å; S45-L49 PolarHBondContact O-N 3.29Å; Y47-L49 PolarHBondContact O-N 3.08Å; L49-L54 HydrophobicContact CD2-CD1 4.17Å; L49-L56 HydrophobicContact CB-CD1 3.88Å; L49-L56 HydrophobicContact CD2-CD1 3.42Å; L49-L56 VanDerWaalsContact CD2-CD1 3.42Å; L49-L56 HydrophobicContact CG-CD1 4.19Å; L49-L56 VanDerWaalsContact O-CB 3.32Å; L49-L56 WeakPolarHBondContact O-CB 3.48Å; L49-L56 PolarHBondContact O-N 2.84Å; L49-I62 HydrophobicContact CB-CG2 4.15Å; L49-I62 HydrophobicContact CD1-CG2 4.13Å; L49-L65 HydrophobicContact CD1-CD2 4.36Å; L49-L65 HydrophobicContact CD2-CD2 3.71Å; L49-M66 HydrophobicContact CD1-CB 4.45Å; L49-M66 HydrophobicContact CD1-SD 4.4Å |
| 50 | R | 85.9 | Confident | 85.1 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -97 | -33.4 | -173.5 | -69 | 175.4 | 176.7 | -156 | 0.2 | 113 | E46 Y47 D48 I62 | E46-R50 WeakPolarHBondContact O-CG 3.44Å; E46-R50 IonicContact OE1-CZ 2.64Å; E46-R50 VanDerWaalsContact OE1-CZ 3.25Å; E46-R50 IonicContact OE1-NE 2.66Å; E46-R50 PolarHBondContact OE1-NE 2.78Å; E46-R50 IonicContact OE1-NH2 3.25Å; E46-R50 PolarHBondContact OE1-NH2 2.64Å; Y47-R50 PolarHBondContact O-N 3.26Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 3.05Å; R50-I62 HydrophobicContact CG-CD1 4Å; R50-I62 HydrophobicContact CG-CG2 4.36Å |
| 51 | S | 80.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 59 Ų | 59 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -86.3 | 162.1 | -178.9 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | Y47 L54 E55 | Y47-S51 WeakPolarHBondContact CE1-OG 3.33Å; Y47-S51 PolarHBondContact O-N 3.36Å; Y47-S51 PolarHBondContact O-OG 3.49Å; S51-L54 PolarHBondContact O-N 3.23Å; S51-L54 VanDerWaalsContact O-N 3.17Å; S51-E55 PolarHBondContact O-N 3.16Å; S51-E55 VanDerWaalsContact O-N 3.13Å |
| 52 | P | 78.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 137.8 | 161 | 20.4 | -31 | 0 | 0 | 0 | 109.6 | E55 | P52-E55 HydrophobicContact CB-CG 4.18Å; P52-E55 WeakPolarHBondContact CB-OE1 3.47Å |
| 53 | P | 82.3 | Confident | 85 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -97.8 | -0.4 | 17.3 | 39.1 | -38.1 | 0 | 0 | 0 | 116.1 | H34 | H34-P53 PolarHBondContact NE2-O 3.25Š|
| 54 | L | 85.2 | Confident | 85.1 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -42.1 | -175 | -66.9 | 179.7 | 0 | 0 | 0 | 114 | L29 L30 H34 D48 L49 S51 L56 | L29-L54 HydrophobicContact CG-CD2 4.38Å; L30-L54 HydrophobicContact CD2-CD1 3.79Å; L30-L54 HydrophobicContact CD2-CD2 3.64Å; L30-L54 HydrophobicContact CD2-CG 4.36Å; H34-L54 HydrophobicContact CB-CD2 4.17Å; H34-L54 WeakPolarHBondContact CD2-CD2 3.35Å; D48-L54 WeakPolarHBondContact O-CB 3.14Å; D48-L54 WeakPolarHBondContact O-CD1 3.4Å; L49-L54 HydrophobicContact CD2-CD1 4.17Å; S51-L54 PolarHBondContact O-N 3.23Å; S51-L54 VanDerWaalsContact O-N 3.17Å; L54-L56 PolarHBondContact O-N 3.36Å |
| 55 | E | 85.2 | Confident | 85.4 | Confident | 116 Ų | 116 | 67.3 Ų | 67.3 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | trans | 46.1 | 50.3 | 173.7 | -55.7 | -171.9 | 161.8 | 0 | 0 | 115.4 | S51 P52 K57 | S51-E55 PolarHBondContact O-N 3.16Å; S51-E55 VanDerWaalsContact O-N 3.13Å; P52-E55 HydrophobicContact CB-CG 4.18Å; P52-E55 WeakPolarHBondContact CB-OE1 3.47Å; E55-K57 PolarHBondContact O-N 3.01Å | ||
| 56 | L | 87.6 | Confident | 85.6 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | trans | -66.2 | 123 | 178.4 | -69.5 | 161.1 | 0 | 0 | 0 | 111 | Y26 L29 L49 L54 I62 | Y26-L56 HydrophobicContact CD1-CD2 3.32Å; Y26-L56 HydrophobicContact CE1-CD2 3.06Å; Y26-L56 HydrophobicContact CG-CD2 4.23Å; L29-L56 HydrophobicContact CD2-CD2 4.08Å; L49-L56 HydrophobicContact CB-CD1 3.88Å; L49-L56 HydrophobicContact CD2-CD1 3.42Å; L49-L56 VanDerWaalsContact CD2-CD1 3.42Å; L49-L56 HydrophobicContact CG-CD1 4.19Å; L49-L56 VanDerWaalsContact O-CB 3.32Å; L49-L56 WeakPolarHBondContact O-CB 3.48Å; L49-L56 PolarHBondContact O-N 2.84Å; L54-L56 PolarHBondContact O-N 3.36Å; L56-I62 HydrophobicContact CB-CD1 3.86Å; L56-I62 HydrophobicContact CB-CG1 3.59Å; L56-I62 HydrophobicContact CD1-CG1 4.19Å; L56-I62 VanDerWaalsContact O-CD1 3.23Å; L56-I62 WeakPolarHBondContact O-CD1 3.37Å | ||
| 57 | K | 85.6 | Confident | 85.8 | Confident | 202 Ų | 202 | 69.6 Ų | 69.6 | 88% | 0.878 | 34% | 0.344 | S | S | * | . | trans | -83.6 | -26 | -174.2 | -62.1 | -172.8 | 179.6 | -179.2 | 0 | 114.1 | E55 | E55-K57 PolarHBondContact O-N 3.01Š| ||
| 58 | V | 88.4 | Confident | 86.3 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | trans | -96 | 107.6 | -173.4 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | G60 D61 I62 | V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 2.94Å; V58-D61 HydrophobicContact CB-CB 4.28Å; V58-D61 WeakPolarHBondContact CB-OD2 3.46Å; V58-D61 HydrophobicContact CG1-CB 4.35Å; V58-D61 VanDerWaalsContact CG1-OD2 3.24Å; V58-D61 WeakPolarHBondContact CG1-OD2 3.31Å; V58-D61 PolarHBondContact O-N 2.64Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 3.41Å; V58-I62 VanDerWaalsContact O-N 3.16Å | ||
| 59 | L | 82.6 | Confident | 86.4 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 55% | 0.55 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.4 | -36.6 | -177.5 | -177.6 | 65.8 | 0 | 0 | 0 | 113.1 | D61 I62 K63 | L59-D61 VanDerWaalsContact C-N 3.3Å; L59-D61 PolarHBondContact O-N 2.97Å; L59-I62 PolarHBondContact O-N 3.46Å; L59-K63 HydrophobicContact CD1-CG 4.5Å; L59-K63 WeakPolarHBondContact O-CG 3.47Å; L59-K63 PolarHBondContact O-N 3.43Å |
| 60 | G | 84.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 67 Ų | 67 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V58 K63 R64 | V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 2.94Å; G60-K63 PolarHBondContact O-N 3.37Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 VanDerWaalsContact O-CG 3.31Å; G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 2.87Å; G60-R64 PolarHBondContact O-NE 3.44Å |
| 61 | D | 88.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 67 Ų | 67 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.9 | -39 | -179.8 | -61 | -26.8 | 0 | 0 | 0 | 111.3 | Y26 V58 L59 K63 R64 L65 | Y26-D61 HydrophobicContact CE2-CB 3.74Å; Y26-D61 WeakPolarHBondContact OH-CB 3.19Å; Y26-D61 PolarHBondContact OH-OD2 3.47Å; V58-D61 HydrophobicContact CB-CB 4.28Å; V58-D61 WeakPolarHBondContact CB-OD2 3.46Å; V58-D61 HydrophobicContact CG1-CB 4.35Å; V58-D61 VanDerWaalsContact CG1-OD2 3.24Å; V58-D61 WeakPolarHBondContact CG1-OD2 3.31Å; V58-D61 PolarHBondContact O-N 2.64Å; L59-D61 VanDerWaalsContact C-N 3.3Å; L59-D61 PolarHBondContact O-N 2.97Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.15Å; D61-R64 PolarHBondContact O-N 3.43Å; D61-R64 IonicContact OD1-CZ 3.49Å; D61-R64 IonicContact OD1-NE 3.54Å; D61-R64 IonicContact OD1-NH2 2.69Å; D61-R64 PolarHBondContact OD1-NH2 2.83Å; D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3.28Å |
| 62 | I | 86.1 | Confident | 86.7 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.4 | -47.9 | 171.5 | -65.5 | 162.6 | 0 | 0 | 0 | 110.7 | E46 L49 R50 L56 V58 L59 M66 | E46-I62 HydrophobicContact CG-CG2 4.27Å; L49-I62 HydrophobicContact CB-CG2 4.15Å; L49-I62 HydrophobicContact CD1-CG2 4.13Å; R50-I62 HydrophobicContact CG-CD1 4Å; R50-I62 HydrophobicContact CG-CG2 4.36Å; L56-I62 HydrophobicContact CB-CD1 3.86Å; L56-I62 HydrophobicContact CB-CG1 3.59Å; L56-I62 HydrophobicContact CD1-CG1 4.19Å; L56-I62 VanDerWaalsContact O-CD1 3.23Å; L56-I62 WeakPolarHBondContact O-CD1 3.37Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 3.41Å; V58-I62 VanDerWaalsContact O-N 3.16Å; L59-I62 PolarHBondContact O-N 3.46Å; I62-M66 VanDerWaalsContact O-CB 3.31Å; I62-M66 WeakPolarHBondContact O-CB 3.42Å; I62-M66 PolarHBondContact O-N 2.91Å |
| 63 | K | 88.9 | Confident | 87.1 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 39% | 0.391 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | -178.7 | -73.3 | -60.4 | -168.2 | -174.8 | 0 | 112.4 | E46 L59 G60 D61 M67 | E46-K63 VanDerWaalsContact OE1-CE 3.22Å; E46-K63 WeakPolarHBondContact OE1-CE 3.23Å; E46-K63 IonicContact OE1-NZ 2.99Å; E46-K63 PolarHBondContact OE1-NZ 3.13Å; E46-K63 IonicContact OE2-NZ 2.64Å; E46-K63 PolarHBondContact OE2-NZ 2.83Å; L59-K63 HydrophobicContact CD1-CG 4.5Å; L59-K63 WeakPolarHBondContact O-CG 3.47Å; L59-K63 PolarHBondContact O-N 3.43Å; G60-K63 PolarHBondContact O-N 3.37Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.15Å; K63-M67 WeakPolarHBondContact O-CG 3.38Å; K63-M67 PolarHBondContact O-N 3.22Å; K63-M67 VanDerWaalsContact O-N 3.12Å |
| 64 | R | 89 | Confident | 87.2 | Confident | 139 Ų | 139 | 66.1 Ų | 66.1 | 53% | 0.525 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 177.2 | -72.6 | -175.5 | -78.5 | -154.6 | 1.7 | 111.2 | F23 G60 D61 M66 M67 S68 | F23-R64 HydrophobicContact CE1-CB 4.02Å; F23-R64 HydrophobicContact CZ-CB 3.7Å; G60-R64 WeakPolarHBondContact O-CB 3.28Å; G60-R64 VanDerWaalsContact O-CG 3.31Å; G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 2.87Å; G60-R64 PolarHBondContact O-NE 3.44Å; D61-R64 PolarHBondContact O-N 3.43Å; D61-R64 IonicContact OD1-CZ 3.49Å; D61-R64 IonicContact OD1-NE 3.54Å; D61-R64 IonicContact OD1-NH2 2.69Å; D61-R64 PolarHBondContact OD1-NH2 2.83Å; R64-M66 PolarHBondContact O-N 3.39Å; R64-M67 HydrophobicContact CG-CE 4.36Å; R64-M67 WeakPolarHBondContact O-CB 3.23Å; R64-M67 PolarHBondContact O-N 2.7Å; R64-S68 PolarHBondContact O-N 2.99Å; R64-S68 VanDerWaalsContact O-N 3.13Å |
| 65 | L | 90.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 178.6 | -178.6 | 59.6 | 0 | 0 | 0 | 111.6 | W17 L18 F23 L30 L49 D61 M67 S68 I69 | W17-L65 HydrophobicContact CZ3-CD1 4.41Å; L18-L65 HydrophobicContact CD2-CD1 3.72Å; F23-L65 HydrophobicContact CD1-CB 4.34Å; F23-L65 HydrophobicContact CD1-CD1 4.5Å; F23-L65 HydrophobicContact CD2-CD1 3.86Å; F23-L65 HydrophobicContact CE1-CB 3.86Å; F23-L65 HydrophobicContact CE2-CB 4.32Å; F23-L65 HydrophobicContact CE2-CD1 3.99Å; F23-L65 HydrophobicContact CG-CD1 4.13Å; F23-L65 VanDerWaalsContact CZ-CA 3.46Å; F23-L65 HydrophobicContact CZ-CB 3.86Å; F23-L65 HydrophobicContact CZ-CD1 4.37Å; F23-L65 VanDerWaalsContact CZ-N 3.27Å; L30-L65 HydrophobicContact CD1-CD2 4.03Å; L49-L65 HydrophobicContact CD1-CD2 4.36Å; L49-L65 HydrophobicContact CD2-CD2 3.71Å; D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3.28Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.21Å; L65-S68 PolarHBondContact O-N 2.66Å; L65-I69 HydrophobicContact CD1-CD1 4.2Å; L65-I69 HydrophobicContact CD1-CG1 4.4Å; L65-I69 HydrophobicContact CG-CD1 3.93Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 3.04Å |
| 66 | M | 90.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 176.8 | -168.4 | 70.9 | -136.7 | 0 | 0 | 112.4 | E46 L49 I62 R64 I69 R70 | E46-M66 HydrophobicContact CB-CG 4.33Å; E46-M66 HydrophobicContact CB-SD 4.02Å; L49-M66 HydrophobicContact CD1-CB 4.45Å; L49-M66 HydrophobicContact CD1-SD 4.4Å; I62-M66 VanDerWaalsContact O-CB 3.31Å; I62-M66 WeakPolarHBondContact O-CB 3.42Å; I62-M66 PolarHBondContact O-N 2.91Å; R64-M66 PolarHBondContact O-N 3.39Å; M66-I69 HydrophobicContact CE-CG2 4.33Å; M66-R70 HydrophobicContact CE-CG 3.81Å; M66-R70 WeakPolarHBondContact O-CB 3.34Å; M66-R70 WeakPolarHBondContact O-CG 3.38Å; M66-R70 PolarHBondContact O-N 2.89Å |
| 67 | M | 86.8 | Confident | 86.5 | Confident | 118 Ų | 118 | 70.2 Ų | 70.2 | 58% | 0.581 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.4 | -43 | 174.2 | -74.4 | -170.5 | -63.1 | 0 | 0 | 111.9 | K63 R64 L65 R70 K71 | K63-M67 WeakPolarHBondContact O-CG 3.38Å; K63-M67 PolarHBondContact O-N 3.22Å; K63-M67 VanDerWaalsContact O-N 3.12Å; R64-M67 HydrophobicContact CG-CE 4.36Å; R64-M67 WeakPolarHBondContact O-CB 3.23Å; R64-M67 PolarHBondContact O-N 2.7Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.21Å; M67-R70 PolarHBondContact O-N 3.07Å; M67-K71 WeakPolarHBondContact O-CB 3.31Å; M67-K71 PolarHBondContact O-N 3.43Å |
| 68 | S | 89.8 | Confident | 86.1 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 174.7 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | E21 R64 L65 K71 L72 | E21-S68 VanDerWaalsContact OE2-CB 3.26Å; E21-S68 WeakPolarHBondContact OE2-CB 3.38Å; E21-S68 PolarHBondContact OE2-OG 3.02Å; R64-S68 PolarHBondContact O-N 2.99Å; R64-S68 VanDerWaalsContact O-N 3.13Å; L65-S68 PolarHBondContact O-N 2.66Å; S68-K71 WeakPolarHBondContact O-CB 3.33Å; S68-K71 PolarHBondContact O-N 3.37Å; S68-L72 PolarHBondContact O-N 2.57Å |
| 69 | I | 89.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 175.2 | -67.1 | 169.4 | 0 | 0 | 0 | 111.1 | W17 L41 L44 L65 M66 K71 L72 Q73 | W17-I69 HydrophobicContact CH2-CG1 4.08Å; L41-I69 HydrophobicContact CD1-CD1 4.08Å; L41-I69 HydrophobicContact CD1-CG1 4.06Å; L41-I69 WeakPolarHBondContact O-CG2 3.29Å; L44-I69 HydrophobicContact CB-CD1 4.37Å; L44-I69 HydrophobicContact CD2-CD1 3.65Å; L65-I69 HydrophobicContact CD1-CD1 4.2Å; L65-I69 HydrophobicContact CD1-CG1 4.4Å; L65-I69 HydrophobicContact CG-CD1 3.93Å; L65-I69 WeakPolarHBondContact O-CG1 3.45Å; L65-I69 PolarHBondContact O-N 3.04Å; M66-I69 HydrophobicContact CE-CG2 4.33Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.93Å; I69-L72 CarbonylContact O-C 3.49Å; I69-L72 WeakPolarHBondContact O-CA 3.49Å; I69-L72 WeakPolarHBondContact O-CB 3.42Å; I69-L72 PolarHBondContact O-N 3.06Å; I69-L72 VanDerWaalsContact O-N 3.1Å; I69-Q73 HydrophobicContact CG2-CG 4.31Å; I69-Q73 WeakPolarHBondContact O-CG 3.32Å; I69-Q73 PolarHBondContact O-N 3.29Å |
| 70 | R | 87.1 | Confident | 85.2 | Confident | 117 Ų | 117 | 58 Ų | 58 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -36 | 176.1 | -78.1 | -175.5 | -178.5 | 136.3 | 7.1 | 112.9 | M66 M67 L72 Q73 K74 | M66-R70 HydrophobicContact CE-CG 3.81Å; M66-R70 WeakPolarHBondContact O-CB 3.34Å; M66-R70 WeakPolarHBondContact O-CG 3.38Å; M66-R70 PolarHBondContact O-N 2.89Å; M67-R70 PolarHBondContact O-N 3.07Å; R70-L72 VanDerWaalsContact C-N 3.32Å; R70-Q73 PolarHBondContact O-N 3.23Å; R70-K74 WeakPolarHBondContact O-CB 3.37Å; R70-K74 PolarHBondContact O-N 2.59Å |
| 71 | K | 87 | Confident | 84.6 | Confident | 120 Ų | 120 | 64 Ų | 64 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.4 | -175.3 | -176.3 | 173.8 | -167.3 | 0 | 110.5 | M67 S68 I69 K74 Q75 | M67-K71 WeakPolarHBondContact O-CB 3.31Å; M67-K71 PolarHBondContact O-N 3.43Å; S68-K71 WeakPolarHBondContact O-CB 3.33Å; S68-K71 PolarHBondContact O-N 3.37Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.93Å; K71-K74 PolarHBondContact O-N 2.91Å; K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.3Å; K71-Q75 PolarHBondContact O-N 2.74Å; K71-Q75 VanDerWaalsContact O-N 3.17Å |
| 72 | L | 86.8 | Confident | 83.7 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.3 | -168 | 68.2 | 0 | 0 | 0 | 112.3 | V6 W9 W17 L41 L42 S68 I69 R70 Q75 N76 | V6-L72 HydrophobicContact CG1-CD2 4.29Å; V6-L72 HydrophobicContact CG2-CD1 4.07Å; W9-L72 HydrophobicContact CH2-CD1 4.17Å; W9-L72 HydrophobicContact CH2-CD2 4.48Å; W9-L72 HydrophobicContact CZ3-CD2 4.12Å; W17-L72 HydrophobicContact CZ2-CB 4.33Å; W17-L72 HydrophobicContact CZ2-CD2 4.11Å; L41-L72 HydrophobicContact CD2-CD2 3.59Å; L41-L72 HydrophobicContact CG-CD2 4.33Å; L42-L72 HydrophobicContact CD2-CD2 4.3Å; L42-L72 HydrophobicContact CD2-CG 4.09Å; S68-L72 PolarHBondContact O-N 2.57Å; I69-L72 CarbonylContact O-C 3.49Å; I69-L72 WeakPolarHBondContact O-CA 3.49Å; I69-L72 WeakPolarHBondContact O-CB 3.42Å; I69-L72 PolarHBondContact O-N 3.06Å; I69-L72 VanDerWaalsContact O-N 3.1Å; R70-L72 VanDerWaalsContact C-N 3.32Å; L72-Q75 PolarHBondContact O-N 3.06Å; L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.9Å |
| 73 | Q | 86.9 | Confident | 82.8 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 174.2 | -73.2 | 169.3 | -22.1 | 0 | 0 | 111.7 | L42 I69 R70 Q75 N76 M77 L80 F87 | L42-Q73 HydrophobicContact CD2-CG 4.01Å; L42-Q73 PolarHBondContact O-NE2 2.97Å; I69-Q73 HydrophobicContact CG2-CG 4.31Å; I69-Q73 WeakPolarHBondContact O-CG 3.32Å; I69-Q73 PolarHBondContact O-N 3.29Å; R70-Q73 PolarHBondContact O-N 3.23Å; Q73-Q75 PolarHBondContact O-N 3.37Å; Q73-N76 CarbonylContact O-C 3.58Å; Q73-N76 VanDerWaalsContact O-C 3.31Å; Q73-N76 PolarHBondContact O-N 2.98Å; Q73-N76 VanDerWaalsContact O-N 3.08Å; Q73-M77 PolarHBondContact O-N 3.18Å; Q73-L80 HydrophobicContact CB-CD2 4.36Å; Q73-L80 HydrophobicContact CG-CD2 4.5Å; Q73-F87 HydrophobicContact CB-CD2 4.05Å; Q73-F87 HydrophobicContact CB-CE2 3.66Å |
| 74 | K | 83.9 | Confident | 81.4 | Confident | 150 Ų | 150 | 70.5 Ų | 70.5 | 65% | 0.652 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.5 | -31.3 | 177.6 | -172.5 | 177.8 | 179.2 | -178.8 | 0 | 112.6 | R70 K71 N76 F87 | R70-K74 WeakPolarHBondContact O-CB 3.37Å; R70-K74 PolarHBondContact O-N 2.59Å; K71-K74 PolarHBondContact O-N 2.91Å; K74-N76 VanDerWaalsContact C-N 3.33Å; K74-F87 HydrophobicContact CB-CZ 4.37Å |
| 75 | Q | 83.1 | Confident | 80.2 | Confident | 130 Ų | 130 | 66.2 Ų | 66.2 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -78.7 | -15.3 | 177.3 | -72.7 | 174.7 | -19.9 | 0 | 0 | 113.5 | K71 L72 Q73 | K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.3Å; K71-Q75 PolarHBondContact O-N 2.74Å; K71-Q75 VanDerWaalsContact O-N 3.17Å; L72-Q75 PolarHBondContact O-N 3.06Å; Q73-Q75 PolarHBondContact O-N 3.37Å |
| 76 | N | 85.3 | Confident | 78.6 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 43.5 | -175.5 | -61.6 | -98.2 | 0 | 0 | 0 | 110.5 | V6 L42 L72 Q73 K74 D78 V79 L80 | V6-N76 VanDerWaalsContact CG2-OD1 3.3Å; V6-N76 WeakPolarHBondContact CG2-OD1 3.41Å; L42-N76 HydrophobicContact CD1-CB 4.43Å; L42-N76 HydrophobicContact CD2-CB 4.46Å; L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.9Å; Q73-N76 CarbonylContact O-C 3.58Å; Q73-N76 VanDerWaalsContact O-C 3.31Å; Q73-N76 PolarHBondContact O-N 2.98Å; Q73-N76 VanDerWaalsContact O-N 3.08Å; K74-N76 VanDerWaalsContact C-N 3.33Å; N76-D78 VanDerWaalsContact C-N 3.28Å; N76-D78 VanDerWaalsContact C-OD1 3.27Å; N76-D78 WeakPolarHBondContact CA-OD1 3.47Å; N76-D78 PolarHBondContact O-N 3.44Å; N76-V79 HydrophobicContact CB-CB 4.39Å; N76-V79 HydrophobicContact CB-CG2 4.39Å; N76-V79 PolarHBondContact O-N 3.32Å; N76-L80 PolarHBondContact O-N 2.99Å |
| 77 | M | 76.6 | Confident | 76.9 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -36.2 | -177.5 | -81.7 | -175.9 | 48.5 | 0 | 0 | 112.7 | Q73 V79 L80 E81 L90 | Q73-M77 PolarHBondContact O-N 3.18Å; M77-V79 VanDerWaalsContact C-N 3.33Å; M77-V79 PolarHBondContact O-N 3.48Å; M77-L80 PolarHBondContact O-N 2.62Å; M77-E81 WeakPolarHBondContact O-CB 3.46Å; M77-E81 PolarHBondContact O-N 3.44Å; M77-L90 HydrophobicContact CE-CD1 3.9Å; M77-L90 HydrophobicContact SD-CD1 4.48Å |
| 78 | D | 75.9 | Confident | 75.1 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.7 | -43.6 | 175.2 | 56.8 | -43.4 | 0 | 0 | 0 | 112 | N76 L80 E82 | N76-D78 VanDerWaalsContact C-N 3.28Å; N76-D78 VanDerWaalsContact C-OD1 3.27Å; N76-D78 WeakPolarHBondContact CA-OD1 3.47Å; N76-D78 PolarHBondContact O-N 3.44Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-E82 PolarHBondContact O-N 3.28Å |
| 79 | V | 77.5 | Confident | 73 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 5% | 0.048 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.1 | -33.7 | 177 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | R7 L42 N76 M77 L83 | R7-V79 HydrophobicContact CB-CG1 4.16Å; L42-V79 HydrophobicContact CD1-CG1 4.18Å; N76-V79 HydrophobicContact CB-CB 4.39Å; N76-V79 HydrophobicContact CB-CG2 4.39Å; N76-V79 PolarHBondContact O-N 3.32Å; M77-V79 VanDerWaalsContact C-N 3.33Å; M77-V79 PolarHBondContact O-N 3.48Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 WeakPolarHBondContact O-CB 3.19Å; V79-L83 WeakPolarHBondContact O-CD1 3.16Å; V79-L83 WeakPolarHBondContact O-CG 3.4Å; V79-L83 PolarHBondContact O-N 2.64Å |
| 80 | L | 74.9 | Confident | 70.4 | Confident | 5 Ų | 5 | 83.5 Ų | 83.5 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -74 | -36.5 | -178.6 | -163.4 | 67.2 | 0 | 0 | 0 | 112.2 | L42 Q73 N76 M77 D78 L83 G84 V85 F87 | L42-L80 HydrophobicContact CB-CD1 4.42Å; Q73-L80 HydrophobicContact CB-CD2 4.36Å; Q73-L80 HydrophobicContact CG-CD2 4.5Å; N76-L80 PolarHBondContact O-N 2.99Å; M77-L80 PolarHBondContact O-N 2.62Å; D78-L80 VanDerWaalsContact C-N 3.34Å; L80-L83 PolarHBondContact O-N 2.84Å; L80-G84 PolarHBondContact O-N 3.4Å; L80-V85 HydrophobicContact CD1-CB 3.69Å; L80-V85 HydrophobicContact CD1-CG1 3.98Å; L80-V85 HydrophobicContact CD1-CG2 4.37Å; L80-V85 HydrophobicContact CG-CB 4.19Å; L80-V85 PolarHBondContact O-N 3.43Å; L80-F87 HydrophobicContact CD2-CB 3.73Å; L80-F87 HydrophobicContact CD2-CD2 3.71Å; L80-F87 HydrophobicContact CD2-CG 4.08Å |
| 81 | E | 72.4 | Confident | 67.6 | Low | 162 Ų | 162 | 83.2 Ų | 83.2 | 76% | 0.757 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.6 | -40.8 | 173.9 | -168.3 | 171.6 | -171.6 | 0 | 0 | 111.3 | M77 L83 G84 | M77-E81 WeakPolarHBondContact O-CB 3.46Å; M77-E81 PolarHBondContact O-N 3.44Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.24Å; E81-G84 PolarHBondContact O-N 3.2Å |
| 82 | E | 69.2 | Low | 65.3 | Low | 125 Ų | 125 | 84 Ų | 84 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -30.4 | 173.6 | -162.4 | -170 | 155.7 | 0 | 0 | 112.6 | R7 D78 | R7-E82 IonicContact CZ-OE1 3.42Å; R7-E82 VanDerWaalsContact CZ-OE1 3.27Å; R7-E82 IonicContact CZ-OE2 3.78Å; R7-E82 IonicContact NH1-OE1 3.27Å; R7-E82 PolarHBondContact NH1-OE1 3.41Å; R7-E82 IonicContact NH1-OE2 3.77Å; R7-E82 PolarHBondContact NH1-OE2 3.24Å; R7-E82 IonicContact NH2-OE1 3.15Å; R7-E82 PolarHBondContact NH2-OE1 3.22Å; D78-E82 PolarHBondContact O-N 3.28Å |
| 83 | L | 66 | Low | 62.5 | Low | 74 Ų | 74 | 88.9 Ų | 88.9 | 39% | 0.387 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.7 | 178.9 | -72.1 | 167.6 | 0 | 0 | 0 | 113.9 | T39 V79 L80 E81 V85 | T39-L83 HydrophobicContact CG2-CD1 4.13Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 WeakPolarHBondContact O-CB 3.19Å; V79-L83 WeakPolarHBondContact O-CD1 3.16Å; V79-L83 WeakPolarHBondContact O-CG 3.4Å; V79-L83 PolarHBondContact O-N 2.64Å; L80-L83 PolarHBondContact O-N 2.84Å; E81-L83 VanDerWaalsContact C-N 3.27Å; E81-L83 PolarHBondContact O-N 3.24Å; L83-V85 VanDerWaalsContact C-N 3.26Å; L83-V85 HydrophobicContact CB-CG2 4.23Å; L83-V85 PolarHBondContact O-N 2.9Å |
| 84 | G | 60.9 | Low | 59.8 | Low | 64 Ų | 64 | 93.4 Ų | 93.4 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 20.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L80 E81 | L80-G84 PolarHBondContact O-N 3.4Å; E81-G84 PolarHBondContact O-N 3.2Å |
| 85 | V | 63.1 | Low | 57 | Low | 49 Ų | 49 | 92 Ų | 92 | 30% | 0.297 | 55% | 0.551 | S | S | . | * | trans | -92.7 | 117.9 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | A43 L80 L83 F87 | A43-V85 HydrophobicContact CB-CG2 4.38Å; L80-V85 HydrophobicContact CD1-CB 3.69Å; L80-V85 HydrophobicContact CD1-CG1 3.98Å; L80-V85 HydrophobicContact CD1-CG2 4.37Å; L80-V85 HydrophobicContact CG-CB 4.19Å; L80-V85 PolarHBondContact O-N 3.43Å; L83-V85 VanDerWaalsContact C-N 3.26Å; L83-V85 HydrophobicContact CB-CG2 4.23Å; L83-V85 PolarHBondContact O-N 2.9Å; V85-F87 PolarHBondContact O-N 3.37Å | ||
| 86 | P | 56.7 | Low | 54.4 | Low | 108 Ų | 108 | 89.6 Ų | 89.6 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | trans | -67.6 | 120.8 | -177.7 | 24.6 | -31.2 | 0 | 0 | 0 | 111.3 | D88 | P86-D88 PolarHBondContact O-N 3.38Š| ||
| 87 | F | 55.5 | Low | 51.5 | Low | 57 Ų | 57 | 94.2 Ų | 94.2 | 25% | 0.25 | 60% | 0.595 | C | S | . | * | trans | -84.8 | 100.7 | 171.7 | -172.2 | -107.3 | 0 | 0 | 0 | 110.5 | Q73 K74 L80 V85 G89 L90 | Q73-F87 HydrophobicContact CB-CD2 4.05Å; Q73-F87 HydrophobicContact CB-CE2 3.66Å; K74-F87 HydrophobicContact CB-CZ 4.37Å; L80-F87 HydrophobicContact CD2-CB 3.73Å; L80-F87 HydrophobicContact CD2-CD2 3.71Å; L80-F87 HydrophobicContact CD2-CG 4.08Å; V85-F87 PolarHBondContact O-N 3.37Å; F87-G89 PolarHBondContact O-N 3.31Å; F87-L90 HydrophobicContact CD1-CD1 4.22Å | ||
| 88 | D | 48.1 | Very low | 49.1 | Very low | 170 Ų | 170 | 97.9 Ų | 97.9 | 91% | 0.909 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 28.5 | 178.9 | -87.8 | -17.9 | 0 | 0 | 0 | 114.7 | P86 | P86-D88 PolarHBondContact O-N 3.38Š|
| 89 | G | 45.4 | Very low | 46.7 | Very low | 49 Ų | 49 | 101 Ų | 101 | 51% | 0.505 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.4 | -1.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | F87 | F87-G89 PolarHBondContact O-N 3.31Š|
| 90 | L | 36.3 | Very low | 44.3 | Very low | 125 Ų | 125 | 107 Ų | 107 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | trans | -113 | 122.6 | -177.5 | -78.6 | 142.4 | 0 | 0 | 0 | 111.8 | M77 F87 | M77-L90 HydrophobicContact CE-CD1 3.9Å; M77-L90 HydrophobicContact SD-CD1 4.48Å; F87-L90 HydrophobicContact CD1-CD1 4.22Å | ||
| 91 | S | 28.3 | Very low | 42 | Very low | 111 Ų | 111 | 118.4 Ų | 118.4 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 143.7 | 168.4 | -57.2 | 0 | 0 | 0 | 0 | 109.7 | S93 | S91-S93 PolarHBondContact O-N 3.48Š|
| 92 | P | 39.4 | Very low | 39.8 | Very low | 135 Ų | 135 | 116.4 Ų | 116.4 | 88% | 0.877 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 118.1 | -168.4 | 30.2 | -31.4 | 0 | 0 | 0 | 111.7 | ||
| 93 | S | 27.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 120 | 153.1 | 51.6 | 0 | 0 | 0 | 0 | 108.7 | S91 | S91-S93 PolarHBondContact O-N 3.48Š|
| 94 | S | 29.1 | Very low | 35.9 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | trans | -26.2 | 127.1 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 95 | S | 26.4 | Very low | 34.3 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | 175.2 | 124.9 | 128 | 49 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 96 | G | 27.1 | Very low | 32.5 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -77.7 | 153.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 97 | S | 25.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -166.9 | 115.3 | 142.3 | 43.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 98 | N | 26.4 | Very low | 30.3 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -65.4 | 140.5 | 166.2 | -81.7 | -32.1 | 0 | 0 | 0 | 109.5 | ||||
| 99 | L | 25.6 | Very low | 29.4 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | -145.8 | 120.3 | 141.7 | -152.3 | 77.5 | 0 | 0 | 0 | 110.1 | ||||
| 100 | E | 26.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -67.4 | 155.6 | -175.8 | -71.1 | 158.2 | 110.1 | 0 | 0 | 114 | L102 | E100-L102 HydrophobicContact CB-CD1 4.46Å; E100-L102 HydrophobicContact CB-CG 4.25Å | ||
| 101 | W | 26.4 | Very low | 28.3 | Very low | 243 Ų | 243 | 133.1 Ų | 133.1 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | trans | -113.7 | 99.8 | 143.2 | -122 | 77.8 | 0 | 0 | 0 | 108.7 | ||||
| 102 | L | 27.4 | Very low | 28.2 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 63% | 0.628 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 138.2 | 168.8 | -79.8 | 154.1 | 0 | 0 | 0 | 109.3 | E100 | E100-L102 HydrophobicContact CB-CD1 4.46Å; E100-L102 HydrophobicContact CB-CG 4.25Å | ||
| 103 | C | 25.3 | Very low | 27.8 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 69% | 0.689 | 79% | 0.787 | S | S | * | * | trans | -133.1 | 99 | 143.2 | -91.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 104 | N | 27.8 | Very low | 27.8 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 67.6 | 115 | 145.9 | -65.6 | -11.4 | 0 | 0 | 0 | 121.8 | ||
| 105 | G | 27.4 | Very low | 27.8 | Very low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | 122.3 | 80.6 | 127.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 106 | D | 24.6 | Very low | 27.9 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -57.3 | 176.9 | 171.9 | -153.1 | 30 | 0 | 0 | 0 | 114.9 | ||||
| 107 | P | 38.1 | Very low | 28.1 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -127.6 | 158.5 | -22.4 | 12.8 | 11.9 | 0 | 0 | 0 | 115.2 | ||||
| 108 | G | 28.3 | Very low | 28.3 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 50.5 | 117 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 109 | R | 28 | Very low | 28.8 | Very low | 243 Ų | 243 | 135.2 Ų | 135.2 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | -177.9 | 141.4 | 115.1 | -100.8 | 165 | 173.5 | 166 | -0.1 | 113.6 | |||||
| 110 | D | 25.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 4.4 | 139 | 153.4 | -62.7 | -47.2 | 0 | 0 | 0 | 120.3 | D112 | D110-D112 PolarHBondContact O-N 2.89Š| ||
| 111 | C | 33.4 | Very low | 29.1 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -29.5 | 109.7 | 155.9 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 112 | D | 27.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -158.6 | 145.3 | 131.1 | -131.3 | -28.4 | 0 | 0 | 0 | 113 | D110 | D110-D112 PolarHBondContact O-N 2.89Š| ||
| 113 | S | 30 | Very low | 29.1 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | 5.8 | 154.9 | 156.8 | -56 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 114 | T | 26.7 | Very low | 29.3 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 102.6 | 125 | 151.9 | 10.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 115 | N | 30.6 | Very low | 29.2 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | -40.1 | 135.6 | 176.8 | -69.1 | -40.9 | 0 | 0 | 0 | 117.6 | ||||
| 116 | T | 28.6 | Very low | 29.3 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | -166.7 | 138.6 | 112 | 11.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 117 | A | 30.3 | Very low | 29.6 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 55% | 0.554 | 78% | 0.784 | S | S | * | * | trans | -108.2 | 153.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 118 | P | 30.7 | Very low | 29.2 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -122 | 137.7 | 132.2 | 24.1 | -8.5 | 0 | 0 | 0 | 112.1 | ||||
| 119 | V | 35.6 | Very low | 29.7 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -20.6 | 130.1 | 161.4 | -177.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 120 | G | 26.5 | Very low | 29.7 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -161.9 | 111 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 121 | E | 31.9 | Very low | 30.1 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 128.2 | -177.9 | -61.1 | 175.2 | 128.7 | 0 | 0 | 110.7 | ||||
| 122 | E | 28 | Very low | 30 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -125.4 | 115.2 | 166.3 | -84.6 | -171 | 149.1 | 0 | 0 | 111.2 | Q124 | E122-Q124 PolarHBondContact O-N 3.33Š| ||
| 123 | Y | 26.3 | Very low | 30.3 | Very low | 219 Ų | 219 | 151.4 Ų | 151.4 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -62.5 | 120.8 | 172.5 | -79.7 | -105.4 | 0 | 0 | 0 | 110.2 | Q125 | Y123-Q125 PolarHBondContact O-N 3.46Š| ||
| 124 | Q | 29.5 | Very low | 30.4 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -78.7 | 109 | 175 | -92.2 | 167.1 | -43.3 | 0 | 0 | 111.5 | E122 | E122-Q124 PolarHBondContact O-N 3.33Š| ||
| 125 | Q | 26.6 | Very low | 31 | Very low | 131 Ų | 131 | 155 Ų | 155 | 61% | 0.612 | 79% | 0.794 | S | S | * | * | trans | -71.8 | 118.9 | 171.1 | -164.8 | 124.4 | -33.1 | 0 | 0 | 110.7 | Y47 Y123 T127 | Y47-Q125 VanDerWaalsContact CZ-NE2 3.34Å; Y47-Q125 PolarHBondContact OH-NE2 3.17Å; Y123-Q125 PolarHBondContact O-N 3.46Å; Q125-T127 PolarHBondContact O-N 3.32Å | ||
| 126 | Y | 28.4 | Very low | 32 | Very low | 229 Ų | 229 | 157.4 Ų | 157.4 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -69.7 | 106.2 | 175.8 | -74.1 | -93.4 | 0 | 0 | 0 | 111.1 | ||||
| 127 | T | 31 | Very low | 33.1 | Very low | 133 Ų | 133 | 160.3 Ų | 160.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -92.5 | 108.9 | 166.9 | 36.3 | 0 | 0 | 0 | 0 | 110 | Q125 | Q125-T127 PolarHBondContact O-N 3.32Š| ||
| 128 | N | 30.7 | Very low | 34.7 | Very low | 164 Ų | 164 | 158.8 Ų | 158.8 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -98.7 | 135.4 | 176.2 | -161 | 6.4 | 0 | 0 | 0 | 110.5 | ||||
| 129 | G | 37.7 | Very low | 36.3 | Very low | 64 Ų | 64 | 157.2 Ų | 157.2 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 93.9 | 67.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 130 | K | 28.9 | Very low | 37.9 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | trans | -177.1 | 34.5 | 143.5 | -105.4 | 176.5 | -171.3 | -176 | 0 | 113.7 | K132 | K130-K132 PolarHBondContact O-N 3.12Š| ||
| 131 | Y | 33 | Very low | 40.5 | Very low | 205 Ų | 205 | 151.3 Ų | 151.3 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -76.9 | 85.8 | 156.6 | -75.4 | -81.8 | 0 | 0 | 0 | 107.3 | Q133 | Y131-Q133 PolarHBondContact O-N 2.99Š| ||
| 132 | K | 30.9 | Very low | 43 | Very low | 191 Ų | 191 | 149.8 Ų | 149.8 | 83% | 0.83 | 69% | 0.691 | S | S | * | * | trans | -41.2 | 111.2 | 138.5 | -140.7 | 179.8 | -172.4 | -179.5 | 0 | 103.4 | K130 Q134 | K130-K132 PolarHBondContact O-N 3.12Å; K132-Q134 PolarHBondContact O-N 3.48Å | ||
| 133 | Q | 34.4 | Very low | 45.8 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | trans | -63.6 | 78.7 | 179 | -148.3 | 176.1 | -1.4 | 0 | 0 | 104.8 | Y131 M135 | Y131-Q133 PolarHBondContact O-N 2.99Å; Q133-M135 PolarHBondContact O-N 2.94Å | ||
| 134 | Q | 31.8 | Very low | 48.8 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 77% | 0.771 | 64% | 0.639 | S | S | * | * | trans | -65.5 | 97.1 | 166.8 | -164 | 161 | -1.2 | 0 | 0 | 100.9 | K132 R136 | K132-Q134 PolarHBondContact O-N 3.48Å; Q134-R136 PolarHBondContact O-N 2.71Å | ||
| 135 | M | 40.8 | Very low | 51.7 | Low | 148 Ų | 148 | 130 Ų | 130 | 73% | 0.729 | 60% | 0.601 | S | S | * | * | trans | -57.5 | 80.2 | 167.3 | -162.9 | 167.1 | 125.9 | 0 | 0 | 104.1 | Q133 R137 | Q133-M135 PolarHBondContact O-N 2.94Å; M135-R137 PolarHBondContact O-N 3.26Å; M135-R137 VanDerWaalsContact O-N 3.12Å | ||
| 136 | R | 49.7 | Very low | 54.8 | Low | 178 Ų | 178 | 128 Ų | 128 | 67% | 0.672 | 60% | 0.598 | S | S | * | * | trans | -62 | 119.3 | -175.5 | -127.5 | 178.5 | 177.6 | 174.6 | 0.6 | 103.1 | Q134 L138 | Q134-R136 PolarHBondContact O-N 2.71Å; R136-L138 PolarHBondContact O-N 3.25Å | ||
| 137 | R | 53.1 | Low | 57.9 | Low | 205 Ų | 205 | 120.8 Ų | 120.8 | 77% | 0.774 | 57% | 0.574 | S | S | * | * | trans | -42 | 115.7 | 177.2 | -98.2 | 179.4 | 175.6 | -175.2 | -0.6 | 108.4 | M135 D139 | M135-R137 PolarHBondContact O-N 3.26Å; M135-R137 VanDerWaalsContact O-N 3.12Å; R137-D139 WeakPolarHBondContact CB-OD1 3.28Å; R137-D139 WeakPolarHBondContact CD-OD1 3.49Å; R137-D139 PolarHBondContact O-N 3.02Å | ||
| 138 | L | 64.5 | Low | 60.9 | Low | 36 Ų | 36 | 114.5 Ų | 114.5 | 19% | 0.188 | 54% | 0.535 | C | S | . | . | trans | -72.7 | 81.7 | 162.4 | -74.1 | 105.9 | 0 | 0 | 0 | 106 | R136 I220 V385 V389 | R136-L138 PolarHBondContact O-N 3.25Å; L138-I220 HydrophobicContact CB-CD1 3.8Å; L138-I220 HydrophobicContact CD2-CD1 3.56Å; L138-I220 HydrophobicContact CG-CD1 4.32Å; L138-V385 HydrophobicContact CD2-CG1 3.82Å; L138-V385 HydrophobicContact CD2-CG2 4.49Å; L138-V389 HydrophobicContact CD2-CG2 4.11Å | ||
| 139 | D | 63.9 | Low | 63.9 | Low | 96 Ų | 96 | 108.2 Ų | 108.2 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | trans | -66.5 | 126.3 | -179.9 | -75.1 | -38.3 | 0 | 0 | 0 | 108.8 | R137 E141 | R137-D139 WeakPolarHBondContact CB-OD1 3.28Å; R137-D139 WeakPolarHBondContact CD-OD1 3.49Å; R137-D139 PolarHBondContact O-N 3.02Å; D139-E141 PolarHBondContact O-N 3.15Å | ||
| 140 | P | 67.7 | Low | 66.7 | Low | 54 Ų | 54 | 109.5 Ų | 109.5 | 35% | 0.351 | 50% | 0.499 | S | S | . | . | trans | -70.1 | 100.6 | -178.7 | 26.6 | -32.3 | 0 | 0 | 0 | 109.7 | Y142 S219 | P140-Y142 VanDerWaalsContact C-N 3.3Å; P140-Y142 HydrophobicContact CB-CD2 4.33Å; P140-Y142 HydrophobicContact CB-CE1 4.22Å; P140-Y142 HydrophobicContact CB-CE2 3.76Å; P140-Y142 HydrophobicContact CG-CE2 3.68Å; P140-Y142 WeakPolarHBondContact O-CD2 3.23Å; P140-Y142 PolarHBondContact O-N 2.9Å; P140-S219 VanDerWaalsContact CB-OG 3.31Å; P140-S219 WeakPolarHBondContact CB-OG 3.32Å | ||
| 141 | E | 81.2 | Confident | 69.8 | Low | 36 Ų | 36 | 102.5 Ų | 102.5 | 17% | 0.168 | 47% | 0.468 | C | S | . | . | trans | -77.8 | 81.2 | 173.6 | -61.3 | -174.7 | 118.1 | 0 | 0 | 110.3 | D139 W143 K144 T145 R223 N384 | D139-E141 PolarHBondContact O-N 3.15Å; E141-W143 PolarHBondContact O-N 3.01Å; E141-K144 HydrophobicContact CB-CB 4.28Å; E141-K144 HydrophobicContact CB-CD 4.36Å; E141-K144 HydrophobicContact CB-CG 4.18Å; E141-K144 VanDerWaalsContact CD-NZ 3.34Å; E141-K144 PolarHBondContact O-N 3.47Å; E141-K144 WeakPolarHBondContact OE1-CE 3.46Å; E141-K144 IonicContact OE1-NZ 3.64Å; E141-K144 PolarHBondContact OE1-NZ 3.24Å; E141-K144 WeakPolarHBondContact OE2-CD 3.48Å; E141-K144 WeakPolarHBondContact OE2-CE 3.31Å; E141-K144 IonicContact OE2-NZ 3.92Å; E141-K144 PolarHBondContact OE2-NZ 3.37Å; E141-T145 PolarHBondContact O-N 2.92Å; E141-T145 PolarHBondContact O-OG1 3.23Å; E141-T145 VanDerWaalsContact O-OG1 3.1Å; E141-R223 IonicContact OE2-NH1 3.3Å; E141-N384 PolarHBondContact OE1-ND2 3.36Å | ||
| 142 | Y | 85.1 | Confident | 72.8 | Confident | 138 Ų | 138 | 93.4 Ų | 93.4 | 54% | 0.541 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.1 | -36.6 | -177.6 | -66.1 | -74.1 | 0 | 0 | 0 | 112.6 | P140 K144 T145 V146 | P140-Y142 VanDerWaalsContact C-N 3.3Å; P140-Y142 HydrophobicContact CB-CD2 4.33Å; P140-Y142 HydrophobicContact CB-CE1 4.22Å; P140-Y142 HydrophobicContact CB-CE2 3.76Å; P140-Y142 HydrophobicContact CG-CE2 3.68Å; P140-Y142 WeakPolarHBondContact O-CD2 3.23Å; P140-Y142 PolarHBondContact O-N 2.9Å; Y142-K144 PolarHBondContact O-N 2.89Å; Y142-T145 WeakPolarHBondContact O-CA 3.32Å; Y142-T145 WeakPolarHBondContact O-CB 3.37Å; Y142-T145 PolarHBondContact O-N 3.35Å; Y142-T145 VanDerWaalsContact O-N 3.09Å; Y142-V146 WeakPolarHBondContact O-CG2 3.28Å; Y142-V146 PolarHBondContact O-N 3.45Å |
| 143 | W | 86.6 | Confident | 75.8 | Confident | 151 Ų | 151 | 87.7 Ų | 87.7 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62 | -41 | 179.6 | 87.4 | -93.4 | 0 | 0 | 0 | 112.6 | E141 T145 V146 L147 F380 | E141-W143 PolarHBondContact O-N 3.01Å; W143-T145 VanDerWaalsContact C-N 3.29Å; W143-T145 PolarHBondContact O-N 3.42Å; W143-V146 PolarHBondContact O-N 3.03Å; W143-L147 HydrophobicContact CZ3-CD2 4.1Å; W143-L147 PolarHBondContact O-N 3.17Å; W143-F380 HydrophobicContact CH2-CE1 4.36Å; W143-F380 AromaticContact CH2-CE2 3.86Å; W143-F380 HydrophobicContact CH2-CE2 3.86Å; W143-F380 AromaticContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CZ2-CE2 4.4Å; W143-F380 AromaticContact CZ2-CZ 3.97Å; W143-F380 HydrophobicContact CZ2-CZ 3.97Å; W143-F380 AromaticContact CZ3-CZ 3.89Å; W143-F380 HydrophobicContact CZ3-CZ 3.89Å |
| 144 | K | 88.9 | Confident | 78.7 | Confident | 10 Ų | 10 | 85.7 Ų | 85.7 | 4% | 0.043 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.3 | -34 | 175.3 | -65.2 | -165 | -168.9 | 163.6 | 0 | 111.6 | E141 Y142 L147 S148 F380 F381 N384 | E141-K144 HydrophobicContact CB-CB 4.28Å; E141-K144 HydrophobicContact CB-CD 4.36Å; E141-K144 HydrophobicContact CB-CG 4.18Å; E141-K144 VanDerWaalsContact CD-NZ 3.34Å; E141-K144 PolarHBondContact O-N 3.47Å; E141-K144 WeakPolarHBondContact OE1-CE 3.46Å; E141-K144 IonicContact OE1-NZ 3.64Å; E141-K144 PolarHBondContact OE1-NZ 3.24Å; E141-K144 WeakPolarHBondContact OE2-CD 3.48Å; E141-K144 WeakPolarHBondContact OE2-CE 3.31Å; E141-K144 IonicContact OE2-NZ 3.92Å; E141-K144 PolarHBondContact OE2-NZ 3.37Å; Y142-K144 PolarHBondContact O-N 2.89Å; K144-L147 PolarHBondContact O-N 3.38Å; K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 2.84Å; K144-F380 HydrophobicContact CD-CE1 4.49Å; K144-F380 HydrophobicContact CG-CE1 4.45Å; K144-F380 PolarHBondContact NZ-O 3.22Å; K144-F381 HydrophobicContact CB-CD1 4.18Å; K144-F381 HydrophobicContact CB-CE1 4.47Å; K144-F381 WeakPolarHBondContact O-CE1 3.22Å; K144-N384 PolarHBondContact NZ-ND2 3.13Å |
| 145 | T | 90.4 | Very high | 81.7 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 175.7 | -49.4 | 0 | 0 | 0 | 0 | 110.6 | E141 Y142 W143 S148 S149 S219 L222 R223 | E141-T145 PolarHBondContact O-N 2.92Å; E141-T145 PolarHBondContact O-OG1 3.23Å; E141-T145 VanDerWaalsContact O-OG1 3.1Å; Y142-T145 WeakPolarHBondContact O-CA 3.32Å; Y142-T145 WeakPolarHBondContact O-CB 3.37Å; Y142-T145 PolarHBondContact O-N 3.35Å; Y142-T145 VanDerWaalsContact O-N 3.09Å; W143-T145 VanDerWaalsContact C-N 3.29Å; W143-T145 PolarHBondContact O-N 3.42Å; T145-S148 PolarHBondContact O-N 2.9Å; T145-S149 WeakPolarHBondContact O-CB 3.48Å; T145-S149 PolarHBondContact O-N 3.46Å; T145-S149 PolarHBondContact O-OG 2.96Å; T145-S219 WeakPolarHBondContact CG2-O 3.22Å; T145-S219 PolarHBondContact OG1-O 3.26Å; T145-L222 HydrophobicContact CG2-CB 4.21Å; T145-L222 HydrophobicContact CG2-CD2 3.98Å; T145-L222 HydrophobicContact CG2-CG 4.22Å; T145-R223 HydrophobicContact CG2-CB 4.34Å |
| 146 | V | 92.8 | Very high | 84.2 | Confident | 90 Ų | 90 | 73.8 Ų | 73.8 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | Y142 W143 S148 S149 V150 | Y142-V146 WeakPolarHBondContact O-CG2 3.28Å; Y142-V146 PolarHBondContact O-N 3.45Å; W143-V146 PolarHBondContact O-N 3.03Å; V146-S148 VanDerWaalsContact C-N 3.34Å; V146-S148 PolarHBondContact O-N 2.9Å; V146-S149 WeakPolarHBondContact O-CB 3.44Å; V146-S149 PolarHBondContact O-N 3.37Å; V146-S149 VanDerWaalsContact O-N 3.12Å; V146-V150 HydrophobicContact CG1-CG2 4.39Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 2.75Å |
| 147 | L | 93.6 | Very high | 86.3 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.3 | -174.6 | 64.8 | 0 | 0 | 0 | 112.2 | W143 K144 S149 V150 Y151 F380 | W143-L147 HydrophobicContact CZ3-CD2 4.1Å; W143-L147 PolarHBondContact O-N 3.17Å; K144-L147 PolarHBondContact O-N 3.38Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.49Å; L147-V150 PolarHBondContact O-N 3.24Å; L147-Y151 WeakPolarHBondContact O-CB 3.28Å; L147-Y151 PolarHBondContact O-N 3Å; L147-F380 HydrophobicContact CD2-CE1 3.68Å; L147-F380 HydrophobicContact CD2-CZ 3.8Å |
| 148 | S | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 175.6 | -167.5 | 0 | 0 | 0 | 0 | 112.4 | K144 T145 V146 Y151 V152 R223 C226 S227 | K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 2.84Å; T145-S148 PolarHBondContact O-N 2.9Å; V146-S148 VanDerWaalsContact C-N 3.34Å; V146-S148 PolarHBondContact O-N 2.9Å; S148-Y151 WeakPolarHBondContact O-CB 3.31Å; S148-Y151 PolarHBondContact O-N 3.49Å; S148-V152 PolarHBondContact O-N 3.27Å; S148-R223 PolarHBondContact OG-O 2.83Å; S148-C226 WeakPolarHBondContact O-CB 3.4Å; S148-C226 VanDerWaalsContact OG-CB 3.31Å; S148-C226 WeakPolarHBondContact OG-CB 3Å; S148-S227 PolarHBondContact OG-N 3.27Å |
| 149 | S | 94 | Very high | 89.5 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | T145 V146 L147 Y151 V152 V153 | T145-S149 WeakPolarHBondContact O-CB 3.48Å; T145-S149 PolarHBondContact O-N 3.46Å; T145-S149 PolarHBondContact O-OG 2.96Å; V146-S149 WeakPolarHBondContact O-CB 3.44Å; V146-S149 PolarHBondContact O-N 3.37Å; V146-S149 VanDerWaalsContact O-N 3.12Å; L147-S149 VanDerWaalsContact C-N 3.31Å; L147-S149 PolarHBondContact O-N 3.49Å; S149-Y151 VanDerWaalsContact C-N 3.29Å; S149-Y151 PolarHBondContact O-N 3.02Å; S149-V152 VanDerWaalsContact O-CG1 3.3Å; S149-V152 WeakPolarHBondContact O-CG1 3.46Å; S149-V152 PolarHBondContact O-N 3.25Å; S149-V153 WeakPolarHBondContact O-CB 3.39Å; S149-V153 WeakPolarHBondContact O-CG2 3.46Å; S149-V153 PolarHBondContact O-N 2.95Å |
| 150 | V | 95.2 | Very high | 90.8 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | V146 L147 V153 F154 | V146-V150 HydrophobicContact CG1-CG2 4.39Å; V146-V150 WeakPolarHBondContact O-CG2 3.47Å; V146-V150 PolarHBondContact O-N 2.75Å; L147-V150 PolarHBondContact O-N 3.24Å; V150-V153 PolarHBondContact O-N 3.25Å; V150-F154 WeakPolarHBondContact O-CB 3.5Å; V150-F154 PolarHBondContact O-N 3.25Å |
| 151 | Y | 94.8 | Very high | 92 | Very high | 56 Ų | 56 | 55 Ų | 55 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -51.8 | 176.4 | 169.3 | -111.4 | 0 | 0 | 0 | 112.2 | L147 S148 S149 V153 F154 V155 G230 M377 | L147-Y151 WeakPolarHBondContact O-CB 3.28Å; L147-Y151 PolarHBondContact O-N 3Å; S148-Y151 WeakPolarHBondContact O-CB 3.31Å; S148-Y151 PolarHBondContact O-N 3.49Å; S149-Y151 VanDerWaalsContact C-N 3.29Å; S149-Y151 PolarHBondContact O-N 3.02Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 2.83Å; Y151-F154 PolarHBondContact O-N 3.29Å; Y151-V155 HydrophobicContact CD2-CG2 4.04Å; Y151-V155 HydrophobicContact CE1-CG2 4.34Å; Y151-V155 HydrophobicContact CE2-CG2 3.58Å; Y151-V155 WeakPolarHBondContact O-CG2 3.38Å; Y151-V155 PolarHBondContact O-N 3.28Å; Y151-G230 PolarHBondContact OH-O 3.44Å; Y151-M377 HydrophobicContact CD1-CE 3.8Å; Y151-M377 HydrophobicContact CD2-CE 4.15Å; Y151-M377 HydrophobicContact CE1-CE 3.76Å; Y151-M377 HydrophobicContact CE2-CE 4.14Å; Y151-M377 HydrophobicContact CG-CE 3.98Å |
| 152 | V | 95.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | -179.1 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | S148 S149 V155 F156 C226 M229 | S148-V152 PolarHBondContact O-N 3.27Å; S149-V152 VanDerWaalsContact O-CG1 3.3Å; S149-V152 WeakPolarHBondContact O-CG1 3.46Å; S149-V152 PolarHBondContact O-N 3.25Å; V152-V155 PolarHBondContact O-N 3.28Å; V152-F156 HydrophobicContact CG2-CD1 4.49Å; V152-F156 HydrophobicContact CG2-CD2 4.12Å; V152-F156 HydrophobicContact CG2-CE1 4.12Å; V152-F156 HydrophobicContact CG2-CE2 3.72Å; V152-F156 HydrophobicContact CG2-CZ 3.73Å; V152-F156 WeakPolarHBondContact O-CG 3.43Å; V152-F156 PolarHBondContact O-N 3.28Å; V152-C226 HydrophobicContact CB-CB 4.08Å; V152-C226 HydrophobicContact CG1-CB 3.78Å; V152-M229 HydrophobicContact CG2-CB 4.17Å; V152-M229 HydrophobicContact CG2-CG 4.25Å |
| 153 | V | 94.5 | Very high | 92.6 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -46 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | S149 V150 Y151 F156 G157 W273 | S149-V153 WeakPolarHBondContact O-CB 3.39Å; S149-V153 WeakPolarHBondContact O-CG2 3.46Å; S149-V153 PolarHBondContact O-N 2.95Å; V150-V153 PolarHBondContact O-N 3.25Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 2.83Å; V153-F156 PolarHBondContact O-N 2.61Å; V153-G157 PolarHBondContact O-N 3.47Å; V153-W273 HydrophobicContact CG1-CH2 4.4Å; V153-W273 HydrophobicContact CG1-CZ2 3.7Å |
| 154 | F | 95 | Very high | 92.7 | Very high | 141 Ų | 141 | 40.6 Ų | 40.6 | 62% | 0.618 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.6 | -45.4 | 173.9 | 175.2 | -95.7 | 0 | 0 | 0 | 111.6 | V150 Y151 F156 G157 F158 | V150-F154 WeakPolarHBondContact O-CB 3.5Å; V150-F154 PolarHBondContact O-N 3.25Å; Y151-F154 PolarHBondContact O-N 3.29Å; F154-F156 VanDerWaalsContact C-N 3.34Å; F154-F156 PolarHBondContact O-N 2.9Å; F154-G157 PolarHBondContact O-N 3.47Å; F154-F158 WeakPolarHBondContact O-CB 3.41Å; F154-F158 PolarHBondContact O-N 3.13Å |
| 155 | V | 95.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | Y151 V152 F158 T159 F233 M234 | Y151-V155 HydrophobicContact CD2-CG2 4.04Å; Y151-V155 HydrophobicContact CE1-CG2 4.34Å; Y151-V155 HydrophobicContact CE2-CG2 3.58Å; Y151-V155 WeakPolarHBondContact O-CG2 3.38Å; Y151-V155 PolarHBondContact O-N 3.28Å; V152-V155 PolarHBondContact O-N 3.28Å; V155-F158 PolarHBondContact O-N 3.35Å; V155-T159 WeakPolarHBondContact O-CB 3.39Å; V155-T159 PolarHBondContact O-N 3.29Å; V155-T159 PolarHBondContact O-OG1 3.3Å; V155-F233 HydrophobicContact CG1-CB 3.63Å; V155-M234 HydrophobicContact CG1-CB 4.48Å; V155-M234 HydrophobicContact CG1-CG 4.48Å; V155-M234 HydrophobicContact CG2-CG 4.1Å |
| 156 | F | 93.8 | Very high | 92.5 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.3 | -39.1 | 176.4 | -70.9 | -24 | 0 | 0 | 0 | 112.9 | V152 V153 F154 T159 S160 M229 F233 | V152-F156 HydrophobicContact CG2-CD1 4.49Å; V152-F156 HydrophobicContact CG2-CD2 4.12Å; V152-F156 HydrophobicContact CG2-CE1 4.12Å; V152-F156 HydrophobicContact CG2-CE2 3.72Å; V152-F156 HydrophobicContact CG2-CZ 3.73Å; V152-F156 WeakPolarHBondContact O-CG 3.43Å; V152-F156 PolarHBondContact O-N 3.28Å; V153-F156 PolarHBondContact O-N 2.61Å; F154-F156 VanDerWaalsContact C-N 3.34Å; F154-F156 PolarHBondContact O-N 2.9Å; F156-T159 PolarHBondContact O-N 3.41Å; F156-S160 PolarHBondContact O-N 3.37Å; F156-S160 PolarHBondContact O-OG 3.4Å; F156-M229 HydrophobicContact CE1-CG 3.9Å; F156-M229 HydrophobicContact CZ-CG 3.53Å; F156-F233 HydrophobicContact CD1-CD1 4.23Å; F156-F233 HydrophobicContact CD1-CG 4.25Å; F156-F233 HydrophobicContact CE1-CB 4.41Å; F156-F233 HydrophobicContact CE1-CD1 4.08Å; F156-F233 AromaticContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CE1 4.29Å; F156-F233 HydrophobicContact CE1-CE2 4.09Å; F156-F233 AromaticContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CZ 4.29Å |
| 157 | G | 92.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V153 F154 T159 S160 F161 | V153-G157 PolarHBondContact O-N 3.47Å; F154-G157 PolarHBondContact O-N 3.47Å; G157-T159 PolarHBondContact O-N 2.87Å; G157-S160 PolarHBondContact O-N 2.93Å; G157-F161 PolarHBondContact O-N 3.4Å |
| 158 | F | 93.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 36.5 Ų | 36.5 | 34% | 0.338 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.7 | -177 | -114.5 | 0 | 0 | 0 | 112.2 | F154 V155 S160 F161 V162 M234 C237 | F154-F158 WeakPolarHBondContact O-CB 3.41Å; F154-F158 PolarHBondContact O-N 3.13Å; V155-F158 PolarHBondContact O-N 3.35Å; F158-S160 VanDerWaalsContact C-N 3.35Å; F158-S160 PolarHBondContact O-N 2.97Å; F158-F161 WeakPolarHBondContact O-CB 3.27Å; F158-F161 PolarHBondContact O-N 3.49Å; F158-V162 HydrophobicContact CD1-CG2 4.18Å; F158-V162 HydrophobicContact CD2-CG2 4.34Å; F158-V162 HydrophobicContact CE1-CG2 3.76Å; F158-V162 HydrophobicContact CE2-CG2 3.93Å; F158-V162 HydrophobicContact CG-CG2 4.45Å; F158-V162 HydrophobicContact CZ-CG2 3.62Å; F158-V162 WeakPolarHBondContact O-CG2 3.21Å; F158-V162 PolarHBondContact O-N 2.94Å; F158-M234 HydrophobicContact CD1-SD 4.25Å; F158-M234 HydrophobicContact CE1-SD 4.06Å; F158-C237 HydrophobicContact CD1-CB 3.94Å; F158-C237 HydrophobicContact CE1-CB 3.67Å |
| 159 | T | 92.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.5 | -50.3 | 174 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | V155 F156 G157 F161 V162 M163 F233 C237 | V155-T159 WeakPolarHBondContact O-CB 3.39Å; V155-T159 PolarHBondContact O-N 3.29Å; V155-T159 PolarHBondContact O-OG1 3.3Å; F156-T159 PolarHBondContact O-N 3.41Å; G157-T159 PolarHBondContact O-N 2.87Å; T159-F161 VanDerWaalsContact C-N 3.25Å; T159-F161 PolarHBondContact O-N 3.38Å; T159-V162 PolarHBondContact O-N 3.22Å; T159-V162 VanDerWaalsContact O-N 3.11Å; T159-M163 HydrophobicContact CG2-CG 4.13Å; T159-M163 WeakPolarHBondContact O-CG 3.44Å; T159-M163 PolarHBondContact O-N 3.41Å; T159-F233 HydrophobicContact CG2-CD1 4.02Å; T159-F233 HydrophobicContact CG2-CE1 4.49Å; T159-C237 WeakPolarHBondContact CA-SG 3.43Å; T159-C237 PolarHBondContact OG1-SG 3.32Å |
| 160 | S | 91.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.1 | -38.3 | -180 | -54.5 | 0 | 0 | 0 | 0 | 112 | F156 G157 F158 V164 A269 W273 | F156-S160 PolarHBondContact O-N 3.37Å; F156-S160 PolarHBondContact O-OG 3.4Å; G157-S160 PolarHBondContact O-N 2.93Å; F158-S160 VanDerWaalsContact C-N 3.35Å; F158-S160 PolarHBondContact O-N 2.97Å; S160-V164 WeakPolarHBondContact O-CG2 3.36Å; S160-V164 PolarHBondContact O-N 2.95Å; S160-A269 WeakPolarHBondContact CB-O 3.33Å; S160-W273 WeakPolarHBondContact OG-CA 3.3Å; S160-W273 WeakPolarHBondContact OG-CB 3.28Å |
| 161 | F | 91.1 | Very high | 90.1 | Very high | 62 Ų | 62 | 39.1 Ų | 39.1 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.2 | -48 | 173.1 | -179.9 | -102.6 | 0 | 0 | 0 | 112.7 | G157 F158 T159 M163 V164 I165 M262 A269 | G157-F161 PolarHBondContact O-N 3.4Å; F158-F161 WeakPolarHBondContact O-CB 3.27Å; F158-F161 PolarHBondContact O-N 3.49Å; T159-F161 VanDerWaalsContact C-N 3.25Å; T159-F161 PolarHBondContact O-N 3.38Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.28Å; F161-V164 WeakPolarHBondContact O-CB 3.32Å; F161-V164 PolarHBondContact O-N 3.47Å; F161-V164 VanDerWaalsContact O-N 3.13Å; F161-I165 HydrophobicContact CD1-CG1 4.33Å; F161-I165 HydrophobicContact CE1-CD1 4.39Å; F161-I165 HydrophobicContact CE1-CG1 3.92Å; F161-I165 HydrophobicContact CE2-CD1 4.42Å; F161-I165 HydrophobicContact CZ-CD1 4.01Å; F161-I165 HydrophobicContact CZ-CG1 4.03Å; F161-I165 PolarHBondContact O-N 2.87Å; F161-I165 VanDerWaalsContact O-N 3.14Å; F161-M262 HydrophobicContact CE2-SD 4.47Å; F161-M262 HydrophobicContact CZ-SD 4.49Å; F161-A269 HydrophobicContact CB-CB 4.24Å; F161-A269 HydrophobicContact CD2-CB 4.39Å |
| 162 | V | 91.1 | Very high | 89.4 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | F158 T159 V164 I165 V166 C237 M240 F241 | F158-V162 HydrophobicContact CD1-CG2 4.18Å; F158-V162 HydrophobicContact CD2-CG2 4.34Å; F158-V162 HydrophobicContact CE1-CG2 3.76Å; F158-V162 HydrophobicContact CE2-CG2 3.93Å; F158-V162 HydrophobicContact CG-CG2 4.45Å; F158-V162 HydrophobicContact CZ-CG2 3.62Å; F158-V162 WeakPolarHBondContact O-CG2 3.21Å; F158-V162 PolarHBondContact O-N 2.94Å; T159-V162 PolarHBondContact O-N 3.22Å; T159-V162 VanDerWaalsContact O-N 3.11Å; V162-V164 VanDerWaalsContact C-N 3.31Å; V162-V164 PolarHBondContact O-N 2.88Å; V162-I165 PolarHBondContact O-N 3.35Å; V162-I165 VanDerWaalsContact O-N 3.15Å; V162-V166 HydrophobicContact CG1-CG2 3.91Å; V162-V166 WeakPolarHBondContact O-CB 3.42Å; V162-V166 VanDerWaalsContact O-CG2 3.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.43Å; V162-V166 PolarHBondContact O-N 3.42Å; V162-C237 HydrophobicContact CG2-CB 4.25Å; V162-M240 HydrophobicContact CG1-CE 4.36Å; V162-F241 HydrophobicContact CG1-CB 4.31Å |
| 163 | M | 88.7 | Confident | 88.7 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.069 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 176.4 | -62.9 | -83 | -73.3 | 0 | 0 | 111.6 | T159 F161 H167 M240 T285 D288 | T159-M163 HydrophobicContact CG2-CG 4.13Å; T159-M163 WeakPolarHBondContact O-CG 3.44Å; T159-M163 PolarHBondContact O-N 3.41Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.28Å; M163-H167 VanDerWaalsContact O-CB 3.22Å; M163-H167 WeakPolarHBondContact O-CB 3.46Å; M163-H167 PolarHBondContact O-N 3.04Å; M163-M240 HydrophobicContact CG-CE 4.37Å; M163-M240 HydrophobicContact SD-CE 3.64Å; M163-M240 HydrophobicContact SD-SD 3.87Å; M163-T285 WeakPolarHBondContact CE-OG1 3.46Å; M163-D288 HydrophobicContact CE-CB 3.37Å; M163-D288 WeakPolarHBondContact CE-OD2 3.43Å; M163-D288 HydrophobicContact SD-CB 3.27Å; M163-D288 WeakPolarHBondContact SD-CB 3.3Å |
| 164 | V | 88.4 | Confident | 88 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 174.2 | 176 | 0 | 0 | 0 | 0 | 111.3 | S160 F161 V162 H167 E168 K265 R268 A269 I272 | S160-V164 WeakPolarHBondContact O-CG2 3.36Å; S160-V164 PolarHBondContact O-N 2.95Å; F161-V164 WeakPolarHBondContact O-CB 3.32Å; F161-V164 PolarHBondContact O-N 3.47Å; F161-V164 VanDerWaalsContact O-N 3.13Å; V162-V164 VanDerWaalsContact C-N 3.31Å; V162-V164 PolarHBondContact O-N 2.88Å; V164-H167 WeakPolarHBondContact O-CB 3.49Å; V164-H167 PolarHBondContact O-N 3.21Å; V164-E168 PolarHBondContact O-N 3.15Å; V164-K265 HydrophobicContact CG1-CB 3.96Å; V164-K265 HydrophobicContact CG1-CG 4.14Å; V164-R268 HydrophobicContact CG2-CB 4.26Å; V164-R268 HydrophobicContact CG2-CG 4.06Å; V164-A269 HydrophobicContact CG2-CB 4.08Å; V164-I272 HydrophobicContact CG2-CD1 3.49Å; V164-I272 VanDerWaalsContact CG2-CD1 3.49Å |
| 165 | I | 88.4 | Confident | 87.6 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 179.4 | -62.1 | -58.8 | 0 | 0 | 0 | 111.4 | F161 V162 H167 E168 R169 F241 K265 | F161-I165 HydrophobicContact CD1-CG1 4.33Å; F161-I165 HydrophobicContact CE1-CD1 4.39Å; F161-I165 HydrophobicContact CE1-CG1 3.92Å; F161-I165 HydrophobicContact CE2-CD1 4.42Å; F161-I165 HydrophobicContact CZ-CD1 4.01Å; F161-I165 HydrophobicContact CZ-CG1 4.03Å; F161-I165 PolarHBondContact O-N 2.87Å; F161-I165 VanDerWaalsContact O-N 3.14Å; V162-I165 PolarHBondContact O-N 3.35Å; V162-I165 VanDerWaalsContact O-N 3.15Å; I165-H167 VanDerWaalsContact C-N 3.31Å; I165-E168 PolarHBondContact O-N 2.94Å; I165-R169 PolarHBondContact O-N 3.31Å; I165-F241 HydrophobicContact CG2-CE2 4.33Å; I165-K265 HydrophobicContact CD1-CD 4.23Å |
| 166 | V | 87.8 | Confident | 87 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -35.6 | -179.9 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | V162 E168 R169 V170 M240 G287 | V162-V166 HydrophobicContact CG1-CG2 3.91Å; V162-V166 WeakPolarHBondContact O-CB 3.42Å; V162-V166 VanDerWaalsContact O-CG2 3.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.43Å; V162-V166 PolarHBondContact O-N 3.42Å; V166-E168 VanDerWaalsContact C-N 3.29Å; V166-E168 PolarHBondContact O-N 3.02Å; V166-R169 CarbonylContact O-C 3.53Å; V166-R169 WeakPolarHBondContact O-CA 3.49Å; V166-R169 PolarHBondContact O-N 3.28Å; V166-V170 WeakPolarHBondContact O-CG2 3.27Å; V166-V170 PolarHBondContact O-N 2.86Å; V166-V170 VanDerWaalsContact O-N 3.09Å; V166-M240 HydrophobicContact CG2-CB 4.2Å; V166-M240 WeakPolarHBondContact CG2-O 3.42Å; V166-G287 WeakPolarHBondContact CG1-O 3.19Å |
| 167 | H | 85.9 | Confident | 86.6 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 13% | 0.125 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.3 | -39.3 | 173.8 | -176.6 | 73 | 0 | 0 | 0 | 113.5 | M163 V164 I165 R169 V170 C286 | M163-H167 VanDerWaalsContact O-CB 3.22Å; M163-H167 WeakPolarHBondContact O-CB 3.46Å; M163-H167 PolarHBondContact O-N 3.04Å; V164-H167 WeakPolarHBondContact O-CB 3.49Å; V164-H167 PolarHBondContact O-N 3.21Å; I165-H167 VanDerWaalsContact C-N 3.31Å; H167-R169 VanDerWaalsContact C-N 3.33Å; H167-V170 WeakPolarHBondContact O-CG2 3.45Å; H167-V170 PolarHBondContact O-N 2.79Å; H167-C286 WeakPolarHBondContact CA-O 3.47Å; H167-C286 WeakPolarHBondContact CB-O 3.47Å; H167-C286 VanDerWaalsContact ND1-CB 3.28Å; H167-C286 WeakPolarHBondContact ND1-CB 3.31Å; H167-C286 PolarHBondContact ND1-N 2.87Å; H167-C286 PolarHBondContact ND1-O 3.04Å |
| 168 | E | 83.9 | Confident | 86.3 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.1 | -24.5 | 175.7 | -67.3 | 179.9 | 170.1 | 0 | 0 | 113.5 | V164 I165 V166 V170 Y259 K265 | V164-E168 PolarHBondContact O-N 3.15Å; I165-E168 PolarHBondContact O-N 2.94Å; V166-E168 VanDerWaalsContact C-N 3.29Å; V166-E168 PolarHBondContact O-N 3.02Å; E168-V170 VanDerWaalsContact C-N 3.34Å; E168-Y259 WeakPolarHBondContact OE1-CB 3.35Å; E168-K265 VanDerWaalsContact CD-NZ 3.29Å; E168-K265 WeakPolarHBondContact OE1-CE 3.24Å; E168-K265 IonicContact OE1-NZ 2.65Å; E168-K265 PolarHBondContact OE1-NZ 3.39Å; E168-K265 VanDerWaalsContact OE1-NZ 3.13Å; E168-K265 WeakPolarHBondContact OE2-CE 3.38Å; E168-K265 IonicContact OE2-NZ 2.73Å; E168-K265 PolarHBondContact OE2-NZ 3.4Å |
| 169 | R | 83.9 | Confident | 86.1 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -87.7 | -3.7 | 177.6 | -68.2 | -169.3 | -173.6 | 140.7 | 1.7 | 113.6 | I165 V166 H167 P171 F241 | I165-R169 PolarHBondContact O-N 3.31Å; V166-R169 CarbonylContact O-C 3.53Å; V166-R169 WeakPolarHBondContact O-CA 3.49Å; V166-R169 PolarHBondContact O-N 3.28Å; H167-R169 VanDerWaalsContact C-N 3.33Å; R169-P171 WeakPolarHBondContact O-CD 3.4Å; R169-F241 VanDerWaalsContact NH1-CD2 3.27Å |
| 170 | V | 82.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 64 Ų | 64 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 125.6 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 109.3 | V166 H167 E168 V247 C286 | V166-V170 WeakPolarHBondContact O-CG2 3.27Å; V166-V170 PolarHBondContact O-N 2.86Å; V166-V170 VanDerWaalsContact O-N 3.09Å; H167-V170 WeakPolarHBondContact O-CG2 3.45Å; H167-V170 PolarHBondContact O-N 2.79Å; E168-V170 VanDerWaalsContact C-N 3.34Å; V170-V247 HydrophobicContact CG1-CG2 3.63Å; V170-C286 HydrophobicContact CG2-CB 4.28Å |
| 171 | P | 81.1 | Confident | 86 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 24% | 0.24 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 145 | 176.1 | -23.1 | 32.6 | 0 | 0 | 0 | 111.7 | R169 M173 Y176 | R169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-M173 PolarHBondContact O-N 3.28Å; P171-Y176 HydrophobicContact CB-CD2 3.52Å; P171-Y176 HydrophobicContact CB-CE2 4.23Å; P171-Y176 HydrophobicContact CB-CG 3.9Å |
| 172 | D | 80.7 | Confident | 86 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 124.9 | 177 | -171.3 | -8.2 | 0 | 0 | 0 | 110.5 | R174 T175 Y176 | D172-R174 PolarHBondContact O-N 2.92Å; D172-R174 VanDerWaalsContact O-N 3.15Å; D172-R174 PolarHBondContact OD1-N 2.85Å; D172-T175 PolarHBondContact O-N 3.1Å; D172-Y176 PolarHBondContact O-N 2.82Å |
| 173 | M | 80.3 | Confident | 86 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 28% | 0.281 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.2 | -177.1 | -62.5 | 171.2 | 75 | 0 | 0 | 112.7 | P171 V247 G249 | P171-M173 PolarHBondContact O-N 3.28Å; M173-V247 HydrophobicContact CE-CB 4.05Å; M173-V247 HydrophobicContact CE-CG1 3.89Å; M173-V247 HydrophobicContact CG-CB 4.17Å; M173-V247 HydrophobicContact CG-CG2 3.94Å; M173-V247 HydrophobicContact SD-CB 4.3Å; M173-V247 HydrophobicContact SD-CG1 4.44Å; M173-V247 HydrophobicContact SD-CG2 4.12Å; M173-G249 WeakPolarHBondContact CE-O 3.43Å |
| 174 | R | 80.3 | Confident | 85.9 | Confident | 233 Ų | 233 | 70.5 Ų | 70.5 | 88% | 0.879 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -34.9 | 176.6 | -67.3 | -176.2 | 175.9 | 179.1 | 0 | 112.8 | D172 | D172-R174 PolarHBondContact O-N 2.92Å; D172-R174 VanDerWaalsContact O-N 3.15Å; D172-R174 PolarHBondContact OD1-N 2.85Å |
| 175 | T | 85.1 | Confident | 85.9 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 57% | 0.571 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -35.1 | -176.8 | -52.5 | 0 | 0 | 0 | 0 | 111 | D172 | D172-T175 PolarHBondContact O-N 3.1Š|
| 176 | Y | 83.8 | Confident | 86 | Confident | 139 Ų | 139 | 79.4 Ų | 79.4 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -123.4 | 97.3 | -175.9 | -60.6 | -81.3 | 0 | 0 | 0 | 110.1 | P171 D172 | P171-Y176 HydrophobicContact CB-CD2 3.52Å; P171-Y176 HydrophobicContact CB-CE2 4.23Å; P171-Y176 HydrophobicContact CB-CG 3.9Å; D172-Y176 PolarHBondContact O-N 2.82Å |
| 177 | P | 84.9 | Confident | 86.2 | Confident | 90 Ų | 90 | 81 Ų | 81 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 168.6 | 177.3 | 28.3 | -34.1 | 0 | 0 | 0 | 112.2 | S246 | P177-S246 PolarHBondContact O-OG 3.3Š|
| 178 | P | 87.2 | Confident | 86.4 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 145.2 | 172.6 | -21.5 | 31.6 | 0 | 0 | 0 | 111.6 | V247 | P178-V247 WeakPolarHBondContact CG-O 3.3Š|
| 179 | L | 88.9 | Confident | 86.7 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 45% | 0.45 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 147 | 174 | -83.6 | 71 | 0 | 0 | 0 | 110.1 | D181 S246 Y338 | L179-D181 PolarHBondContact O-N 3.46Å; L179-S246 WeakPolarHBondContact CD1-OG 3.39Å; L179-Y338 HydrophobicContact CB-CE1 3.96Å; L179-Y338 PolarHBondContact N-OH 3.39Å; L179-Y338 VanDerWaalsContact N-OH 3.16Å |
| 180 | P | 89.3 | Confident | 87.1 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 77% | 0.766 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 128.2 | 176.5 | 27.1 | -33.9 | 0 | 0 | 0 | 110.1 | ||
| 181 | D | 91.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 87.1 Ų | 87.1 | 5% | 0.053 | 46% | 0.463 | C | S | . | . | trans | -142.7 | 113.2 | -177 | -175.7 | -31.2 | 0 | 0 | 0 | 109.5 | L179 F183 L184 D185 Y338 S339 | L179-D181 PolarHBondContact O-N 3.46Å; D181-F183 PolarHBondContact O-N 3.24Å; D181-F183 VanDerWaalsContact O-N 3.09Å; D181-F183 PolarHBondContact OD1-N 2.86Å; D181-L184 HydrophobicContact CB-CB 4.05Å; D181-L184 HydrophobicContact CB-CD1 3.74Å; D181-L184 HydrophobicContact CB-CG 4.08Å; D181-L184 PolarHBondContact O-N 3.18Å; D181-D185 WeakPolarHBondContact O-CB 3.36Å; D181-D185 VanDerWaalsContact O-CG 3.23Å; D181-D185 PolarHBondContact O-N 3.33Å; D181-Y338 HydrophobicContact CB-CD1 4.21Å; D181-S339 WeakPolarHBondContact OD1-CB 3.27Å; D181-S339 PolarHBondContact OD1-OG 3.19Å; D181-S339 WeakPolarHBondContact OD2-CB 3.39Å; D181-S339 PolarHBondContact OD2-N 2.95Å; D181-S339 PolarHBondContact OD2-OG 2.76Å | ||
| 182 | I | 91.8 | Very high | 87.9 | Confident | 144 Ų | 144 | 92.5 Ų | 92.5 | 74% | 0.738 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -53.6 | -38.3 | -173.1 | -60.4 | 171.6 | 0 | 0 | 0 | 111.7 | S186 | I182-S186 VanDerWaalsContact O-CB 3.24Å; I182-S186 WeakPolarHBondContact O-CB 3.31Å; I182-S186 PolarHBondContact O-N 3.49Å; I182-S186 VanDerWaalsContact O-N 3.11Å; I182-S186 PolarHBondContact O-OG 3.01Å |
| 183 | F | 91.1 | Very high | 88.5 | Confident | 56 Ų | 56 | 87.8 Ų | 87.8 | 25% | 0.246 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -71.8 | -46.8 | -178.6 | -172.8 | -81.9 | 0 | 0 | 0 | 111.2 | D181 D185 S186 V187 F329 L332 | D181-F183 PolarHBondContact O-N 3.24Å; D181-F183 VanDerWaalsContact O-N 3.09Å; D181-F183 PolarHBondContact OD1-N 2.86Å; F183-D185 PolarHBondContact O-N 2.93Å; F183-S186 PolarHBondContact O-N 3.46Å; F183-S186 VanDerWaalsContact O-N 3.16Å; F183-V187 HydrophobicContact CD1-CB 4.38Å; F183-V187 HydrophobicContact CD1-CG2 4.26Å; F183-V187 HydrophobicContact CD2-CG2 4.39Å; F183-V187 HydrophobicContact CE1-CB 3.94Å; F183-V187 HydrophobicContact CE1-CG1 4.24Å; F183-V187 HydrophobicContact CE1-CG2 3.83Å; F183-V187 HydrophobicContact CE2-CG2 4.01Å; F183-V187 HydrophobicContact CZ-CB 4.28Å; F183-V187 HydrophobicContact CZ-CG1 4.45Å; F183-V187 HydrophobicContact CZ-CG2 3.72Å; F183-V187 PolarHBondContact O-N 3.07Å; F183-F329 HydrophobicContact CZ-CD2 4.41Å; F183-F329 HydrophobicContact CZ-CE2 4.33Å; F183-L332 HydrophobicContact CD1-CB 3.79Å; F183-L332 HydrophobicContact CD1-CD1 4.47Å; F183-L332 HydrophobicContact CD2-CD1 4.43Å; F183-L332 HydrophobicContact CE1-CB 3.35Å; F183-L332 HydrophobicContact CE1-CD1 4.34Å; F183-L332 HydrophobicContact CE1-CG 4.4Å; F183-L332 HydrophobicContact CE2-CD1 4.26Å; F183-L332 HydrophobicContact CZ-CB 3.81Å; F183-L332 HydrophobicContact CZ-CD1 4.2Å |
| 184 | L | 87.8 | Confident | 89 | Confident | 20 Ų | 20 | 86.2 Ų | 86.2 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.1 | -30.7 | 179.4 | -65.7 | 169.9 | 0 | 0 | 0 | 111.7 | D181 P248 H335 Y338 | D181-L184 HydrophobicContact CB-CB 4.05Å; D181-L184 HydrophobicContact CB-CD1 3.74Å; D181-L184 HydrophobicContact CB-CG 4.08Å; D181-L184 PolarHBondContact O-N 3.18Å; L184-P248 HydrophobicContact CD1-CB 4.21Å; L184-H335 HydrophobicContact CD2-CB 3.69Å; L184-H335 PolarHBondContact O-CE1 3.04Å; L184-Y338 HydrophobicContact CD1-CD1 3.78Å; L184-Y338 HydrophobicContact CD1-CE1 4.27Å |
| 185 | D | 88.3 | Confident | 89.6 | Confident | 124 Ų | 124 | 76.8 Ų | 76.8 | 66% | 0.663 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -76.2 | -28.9 | 175.8 | -65.1 | -27.6 | 0 | 0 | 0 | 112.4 | D181 F183 | D181-D185 WeakPolarHBondContact O-CB 3.36Å; D181-D185 VanDerWaalsContact O-CG 3.23Å; D181-D185 PolarHBondContact O-N 3.33Å; F183-D185 PolarHBondContact O-N 2.93Å |
| 186 | S | 90.9 | Very high | 90.1 | Very high | 90 Ų | 90 | 76.2 Ų | 76.2 | 63% | 0.629 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -92 | -27.6 | -174.8 | -59.1 | 0 | 0 | 0 | 0 | 114 | I182 F183 | I182-S186 VanDerWaalsContact O-CB 3.24Å; I182-S186 WeakPolarHBondContact O-CB 3.31Å; I182-S186 PolarHBondContact O-N 3.49Å; I182-S186 VanDerWaalsContact O-N 3.11Å; I182-S186 PolarHBondContact O-OG 3.01Å; F183-S186 PolarHBondContact O-N 3.46Å; F183-S186 VanDerWaalsContact O-N 3.16Å |
| 187 | V | 90.4 | Very high | 90.6 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 22% | 0.218 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -109.4 | 129.9 | -174.5 | 179 | 0 | 0 | 0 | 0 | 109.5 | F183 H335 | F183-V187 HydrophobicContact CD1-CB 4.38Å; F183-V187 HydrophobicContact CD1-CG2 4.26Å; F183-V187 HydrophobicContact CD2-CG2 4.39Å; F183-V187 HydrophobicContact CE1-CB 3.94Å; F183-V187 HydrophobicContact CE1-CG1 4.24Å; F183-V187 HydrophobicContact CE1-CG2 3.83Å; F183-V187 HydrophobicContact CE2-CG2 4.01Å; F183-V187 HydrophobicContact CZ-CB 4.28Å; F183-V187 HydrophobicContact CZ-CG1 4.45Å; F183-V187 HydrophobicContact CZ-CG2 3.72Å; F183-V187 PolarHBondContact O-N 3.07Å; V187-H335 PolarHBondContact O-CE1 2.93Å; V187-H335 PolarHBondContact O-NE2 3.24Å |
| 188 | P | 90.4 | Very high | 91 | Very high | 103 Ų | 103 | 65.8 Ų | 65.8 | 67% | 0.669 | 36% | 0.358 | S | S | * | . | trans | -71.3 | 142.4 | 174.3 | 29.2 | -33.9 | 0 | 0 | 0 | 110.7 | I190 | P188-I190 PolarHBondContact O-N 3.17Š| ||
| 189 | R | 90.9 | Very high | 91.4 | Very high | 106 Ų | 106 | 64.8 Ų | 64.8 | 40% | 0.4 | 36% | 0.355 | S | S | . | . | trans | -60.7 | 133 | 178.8 | -178.2 | -176.6 | 172.7 | -134.3 | -1.6 | 112 | H251 A334 H335 | R189-H251 PolarHBondContact NE-CD2 3.37Å; R189-H251 PolarHBondContact NE-CE1 3.32Å; R189-H251 PolarHBondContact NE-ND1 3.27Å; R189-H251 PolarHBondContact NE-NE2 3.21Å; R189-H251 VanDerWaalsContact NH1-CG 3.26Å; R189-H251 PolarHBondContact NH2-CD2 2.96Å; R189-H251 PolarHBondContact NH2-NE2 3.13Å; R189-A334 PolarHBondContact NE-O 2.95Å; R189-H335 HydrophobicContact CG-CB 4.22Å | ||
| 190 | I | 92.7 | Very high | 91.8 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | trans | -111.7 | 108.8 | 173.6 | -57 | 180 | 0 | 0 | 0 | 109.2 | P188 W192 A193 A333 | P188-I190 PolarHBondContact O-N 3.17Å; I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 HydrophobicContact CG2-CD2 3.56Å; I190-W192 HydrophobicContact CG2-CE3 4.14Å; I190-W192 HydrophobicContact CG2-CG 3.96Å; I190-W192 HydrophobicContact CG2-CH2 4.11Å; I190-W192 HydrophobicContact CG2-CZ2 3.53Å; I190-W192 HydrophobicContact CG2-CZ3 4.38Å; I190-W192 PolarHBondContact O-N 2.92Å; I190-A193 HydrophobicContact CB-CB 3.87Å; I190-A193 HydrophobicContact CG2-CB 3.88Å; I190-A193 WeakPolarHBondContact O-CB 3.43Å; I190-A193 PolarHBondContact O-N 2.88Å; I190-A333 HydrophobicContact CB-CB 4.49Å; I190-A333 HydrophobicContact CD1-CB 4.21Å; I190-A333 HydrophobicContact CG1-CB 4.47Å; I190-A333 PolarHBondContact N-O 3.39Å | ||
| 191 | P | 88.6 | Confident | 92.1 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -27.1 | -170.2 | 26.4 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 192 | W | 90.9 | Very high | 92.3 | Very high | 150 Ų | 150 | 58.7 Ų | 58.7 | 57% | 0.568 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.7 | 178 | 54.8 | -101.1 | 0 | 0 | 0 | 113.4 | I190 F194 A195 M196 F330 | I190-W192 VanDerWaalsContact C-N 3.33Å; I190-W192 HydrophobicContact CG2-CD2 3.56Å; I190-W192 HydrophobicContact CG2-CE3 4.14Å; I190-W192 HydrophobicContact CG2-CG 3.96Å; I190-W192 HydrophobicContact CG2-CH2 4.11Å; I190-W192 HydrophobicContact CG2-CZ2 3.53Å; I190-W192 HydrophobicContact CG2-CZ3 4.38Å; I190-W192 PolarHBondContact O-N 2.92Å; W192-F194 VanDerWaalsContact C-N 3.33Å; W192-F194 PolarHBondContact O-N 3.43Å; W192-A195 PolarHBondContact O-N 2.98Å; W192-M196 HydrophobicContact CE3-CB 4.44Å; W192-M196 HydrophobicContact CE3-CG 3.55Å; W192-M196 HydrophobicContact CZ3-CG 3.81Å; W192-M196 PolarHBondContact O-N 3.04Å; W192-F330 HydrophobicContact CH2-CE1 4.33Å; W192-F330 HydrophobicContact CZ3-CD1 4.44Å; W192-F330 AromaticContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CZ 4.46Å |
| 193 | A | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I190 A195 M196 A197 F330 A333 A334 | I190-A193 HydrophobicContact CB-CB 3.87Å; I190-A193 HydrophobicContact CG2-CB 3.88Å; I190-A193 WeakPolarHBondContact O-CB 3.43Å; I190-A193 PolarHBondContact O-N 2.88Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.25Å; A193-M196 CarbonylContact O-C 3.58Å; A193-M196 WeakPolarHBondContact O-CA 3.49Å; A193-M196 WeakPolarHBondContact O-CB 3.29Å; A193-M196 PolarHBondContact O-N 3.46Å; A193-A197 PolarHBondContact O-N 2.85Å; A193-F330 HydrophobicContact CB-CB 4.21Å; A193-F330 HydrophobicContact CB-CD1 4.11Å; A193-F330 WeakPolarHBondContact CB-O 3.46Å; A193-F330 WeakPolarHBondContact O-CB 3.5Å; A193-A333 HydrophobicContact CB-CB 4.1Å; A193-A334 HydrophobicContact CB-CB 4.24Å |
| 194 | F | 91.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 53 Ų | 53 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | -178.9 | -159.1 | -111.7 | 0 | 0 | 0 | 112.8 | W192 M196 A197 E198 S279 H294 A334 E336 | W192-F194 VanDerWaalsContact C-N 3.33Å; W192-F194 PolarHBondContact O-N 3.43Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3.47Å; F194-A197 WeakPolarHBondContact O-CB 3.29Å; F194-A197 PolarHBondContact O-N 3.29Å; F194-A197 VanDerWaalsContact O-N 3.14Å; F194-E198 HydrophobicContact CE1-CG 4.48Å; F194-E198 WeakPolarHBondContact CE1-OE1 3.5Å; F194-E198 PolarHBondContact O-N 3.42Å; F194-S279 WeakPolarHBondContact CD1-OG 3.43Å; F194-S279 VanDerWaalsContact CE1-OG 3.3Å; F194-S279 WeakPolarHBondContact CE1-OG 3.39Å; F194-H294 AromaticContact CZ-CE1 3.63Å; F194-H294 AromaticContact CZ-ND1 3.79Å; F194-A334 HydrophobicContact CB-CB 3.63Å; F194-A334 HydrophobicContact CD2-CB 4.03Å; F194-A334 HydrophobicContact CG-CB 4.27Å; F194-E336 HydrophobicContact CB-CG 4.38Å; F194-E336 HydrophobicContact CD2-CB 3.97Å; F194-E336 HydrophobicContact CD2-CG 3.72Å; F194-E336 HydrophobicContact CE2-CB 3.93Å; F194-E336 HydrophobicContact CE2-CG 4.12Å; F194-E336 HydrophobicContact CG-CG 3.98Å |
| 195 | A | 92.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W192 A193 A199 | W192-A195 PolarHBondContact O-N 2.98Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.25Å; A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.83Å |
| 196 | M | 94.6 | Very high | 93.6 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 40% | 0.404 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.6 | -36 | 174.1 | -65.8 | -60.9 | 98.2 | 0 | 0 | 112.4 | W192 A193 F194 E198 A199 C200 F330 | W192-M196 HydrophobicContact CE3-CB 4.44Å; W192-M196 HydrophobicContact CE3-CG 3.55Å; W192-M196 HydrophobicContact CZ3-CG 3.81Å; W192-M196 PolarHBondContact O-N 3.04Å; A193-M196 CarbonylContact O-C 3.58Å; A193-M196 WeakPolarHBondContact O-CA 3.49Å; A193-M196 WeakPolarHBondContact O-CB 3.29Å; A193-M196 PolarHBondContact O-N 3.46Å; F194-M196 VanDerWaalsContact C-N 3.28Å; F194-M196 PolarHBondContact O-N 3.47Å; M196-E198 VanDerWaalsContact C-N 3.35Å; M196-A199 WeakPolarHBondContact O-CB 3.46Å; M196-A199 PolarHBondContact O-N 3.5Å; M196-C200 PolarHBondContact O-N 2.93Å; M196-C200 PolarHBondContact O-SG 3.28Å; M196-F330 HydrophobicContact CB-CD2 3.76Å; M196-F330 HydrophobicContact CB-CE2 3.88Å; M196-F330 HydrophobicContact CB-CG 4.18Å; M196-F330 HydrophobicContact CB-CZ 4.39Å |
| 197 | A | 94.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A193 F194 C200 G201 F330 I331 | A193-A197 PolarHBondContact O-N 2.85Å; F194-A197 WeakPolarHBondContact O-CB 3.29Å; F194-A197 PolarHBondContact O-N 3.29Å; F194-A197 VanDerWaalsContact O-N 3.14Å; A197-C200 WeakPolarHBondContact O-CB 3.37Å; A197-C200 PolarHBondContact O-N 3.47Å; A197-G201 PolarHBondContact O-N 2.97Å; A197-F330 HydrophobicContact CB-CB 3.78Å; A197-I331 HydrophobicContact CB-CG1 3.76Å |
| 198 | E | 94.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.1 | -68.6 | -175.7 | 178.1 | 0 | 0 | 111.7 | F194 M196 C200 G201 V202 S279 L280 H294 | F194-E198 HydrophobicContact CE1-CG 4.48Å; F194-E198 WeakPolarHBondContact CE1-OE1 3.5Å; F194-E198 PolarHBondContact O-N 3.42Å; M196-E198 VanDerWaalsContact C-N 3.35Å; E198-C200 PolarHBondContact O-N 3.36Å; E198-G201 WeakPolarHBondContact O-CA 3.21Å; E198-G201 PolarHBondContact O-N 3.35Å; E198-G201 VanDerWaalsContact O-N 3.1Å; E198-V202 WeakPolarHBondContact O-CG2 3.34Å; E198-V202 PolarHBondContact O-N 3.21Å; E198-S279 WeakPolarHBondContact OE1-CA 3.44Å; E198-S279 VanDerWaalsContact OE1-CB 3.28Å; E198-S279 WeakPolarHBondContact OE1-CB 3.35Å; E198-S279 PolarHBondContact OE1-N 2.99Å; E198-S279 PolarHBondContact OE1-OG 3.18Å; E198-S279 PolarHBondContact OE2-N 2.95Å; E198-S279 PolarHBondContact OE2-OG 3.34Å; E198-L280 HydrophobicContact CB-CD1 3.63Å; E198-L280 HydrophobicContact CB-CG 4.38Å; E198-L280 VanDerWaalsContact OE2-CB 3.26Å; E198-L280 WeakPolarHBondContact OE2-CB 3.41Å; E198-L280 VanDerWaalsContact OE2-CD1 3.28Å; E198-L280 WeakPolarHBondContact OE2-CD1 3.45Å; E198-L280 WeakPolarHBondContact OE2-CG 3.46Å; E198-L280 PolarHBondContact OE2-N 3.11Å; E198-H294 IonicContact OE1-NE2 3.63Å |
| 199 | A | 95 | Very high | 94.3 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A195 M196 G201 V202 I203 | A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.83Å; M196-A199 WeakPolarHBondContact O-CB 3.46Å; M196-A199 PolarHBondContact O-N 3.5Å; A199-G201 VanDerWaalsContact C-N 3.3Å; A199-G201 PolarHBondContact O-N 3.2Å; A199-V202 PolarHBondContact O-N 2.57Å; A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.31Å; A199-I203 PolarHBondContact O-N 3.14Å |
| 200 | C | 96.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 47 Ų | 47 | 9% | 0.088 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 173.1 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | M196 A197 E198 I203 L204 L298 L323 | M196-C200 PolarHBondContact O-N 2.93Å; M196-C200 PolarHBondContact O-SG 3.28Å; A197-C200 WeakPolarHBondContact O-CB 3.37Å; A197-C200 PolarHBondContact O-N 3.47Å; E198-C200 PolarHBondContact O-N 3.36Å; C200-I203 PolarHBondContact O-N 3.39Å; C200-L204 WeakPolarHBondContact O-CB 3.21Å; C200-L204 PolarHBondContact O-N 3.29Å; C200-L298 HydrophobicContact CB-CD2 4.23Å; C200-L323 HydrophobicContact CB-CD2 4.17Å |
| 201 | G | 95.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 13% | 0.134 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A197 E198 A199 L204 C205 L298 | A197-G201 PolarHBondContact O-N 2.97Å; E198-G201 WeakPolarHBondContact O-CA 3.21Å; E198-G201 PolarHBondContact O-N 3.35Å; E198-G201 VanDerWaalsContact O-N 3.1Å; A199-G201 VanDerWaalsContact C-N 3.3Å; A199-G201 PolarHBondContact O-N 3.2Å; G201-L204 PolarHBondContact O-N 2.9Å; G201-C205 VanDerWaalsContact O-CB 3.29Å; G201-C205 WeakPolarHBondContact O-CB 3.47Å; G201-C205 PolarHBondContact O-N 3.44Å; G201-L298 VanDerWaalsContact CA-CD2 3.47Å |
| 202 | V | 95.8 | Very high | 94.6 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | E198 A199 C205 N206 M278 | E198-V202 WeakPolarHBondContact O-CG2 3.34Å; E198-V202 PolarHBondContact O-N 3.21Å; A199-V202 PolarHBondContact O-N 2.57Å; V202-C205 WeakPolarHBondContact O-CB 3.31Å; V202-C205 PolarHBondContact O-N 3.28Å; V202-N206 WeakPolarHBondContact CG1-ND2 3.49Å; V202-N206 PolarHBondContact O-N 3.14Å; V202-N206 PolarHBondContact O-ND2 2.96Å; V202-M278 HydrophobicContact CG2-SD 4.19Å |
| 203 | I | 96.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 38.6 Ų | 38.6 | 41% | 0.41 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 176.7 | -66.3 | 163.3 | 0 | 0 | 0 | 110.6 | A199 C200 C205 N206 I207 L323 | A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.31Å; A199-I203 PolarHBondContact O-N 3.14Å; C200-I203 PolarHBondContact O-N 3.39Å; I203-C205 VanDerWaalsContact C-N 3.3Å; I203-C205 PolarHBondContact O-N 3.03Å; I203-N206 PolarHBondContact O-N 3.1Å; I203-I207 HydrophobicContact CG2-CD1 4.02Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.47Å; I203-L323 HydrophobicContact CB-CD1 4.23Å; I203-L323 HydrophobicContact CG2-CD1 3.58Å |
| 204 | L | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | 175.9 | -84 | 171 | 0 | 0 | 0 | 112.3 | C200 G201 I207 W208 L298 L301 L323 | C200-L204 WeakPolarHBondContact O-CB 3.21Å; C200-L204 PolarHBondContact O-N 3.29Å; G201-L204 PolarHBondContact O-N 2.9Å; L204-I207 PolarHBondContact O-N 2.92Å; L204-W208 WeakPolarHBondContact O-CB 3.37Å; L204-W208 PolarHBondContact O-N 2.94Å; L204-L298 HydrophobicContact CD1-CD2 3.77Å; L204-L301 HydrophobicContact CB-CB 4.12Å; L204-L301 HydrophobicContact CB-CD1 4.11Å; L204-L323 HydrophobicContact CD1-CB 3.91Å; L204-L323 HydrophobicContact CD2-CB 4.28Å; L204-L323 HydrophobicContact CD2-CD1 4.16Å; L204-L323 HydrophobicContact CG-CB 3.9Å; L204-L323 HydrophobicContact CG-CD1 3.96Å |
| 205 | C | 96.3 | Very high | 94.3 | Very high | 48 Ų | 48 | 39.2 Ų | 39.2 | 32% | 0.324 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | G201 V202 I203 W208 L209 L301 | G201-C205 VanDerWaalsContact O-CB 3.29Å; G201-C205 WeakPolarHBondContact O-CB 3.47Å; G201-C205 PolarHBondContact O-N 3.44Å; V202-C205 WeakPolarHBondContact O-CB 3.31Å; V202-C205 PolarHBondContact O-N 3.28Å; I203-C205 VanDerWaalsContact C-N 3.3Å; I203-C205 PolarHBondContact O-N 3.03Å; C205-W208 PolarHBondContact O-N 3.29Å; C205-L209 WeakPolarHBondContact O-CB 3.32Å; C205-L209 VanDerWaalsContact O-CG 3.29Å; C205-L209 WeakPolarHBondContact O-CG 3.22Å; C205-L209 PolarHBondContact O-N 3.02Å; C205-L301 HydrophobicContact CB-CD1 3.97Å |
| 206 | N | 96.1 | Very high | 93.9 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.8 | -80.5 | -78 | 0 | 0 | 0 | 112.2 | V202 I203 W208 L209 L210 | V202-N206 WeakPolarHBondContact CG1-ND2 3.49Å; V202-N206 PolarHBondContact O-N 3.14Å; V202-N206 PolarHBondContact O-ND2 2.96Å; I203-N206 PolarHBondContact O-N 3.1Å; N206-W208 VanDerWaalsContact C-N 3.31Å; N206-W208 PolarHBondContact O-N 2.97Å; N206-L209 PolarHBondContact O-N 3.46Å; N206-L210 VanDerWaalsContact O-CG 3.32Å; N206-L210 WeakPolarHBondContact O-CG 3.43Å; N206-L210 PolarHBondContact O-N 3.39Å |
| 207 | I | 95.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 39.8 Ų | 39.8 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 175 | -66.2 | 166.9 | 0 | 0 | 0 | 110.1 | I203 L204 L210 V211 V305 I316 L319 L323 | I203-I207 HydrophobicContact CG2-CD1 4.02Å; I203-I207 WeakPolarHBondContact O-CG1 3.45Å; I203-I207 PolarHBondContact O-N 3.47Å; L204-I207 PolarHBondContact O-N 2.92Å; I207-L210 WeakPolarHBondContact O-CB 3.37Å; I207-L210 PolarHBondContact O-N 3.47Å; I207-V211 WeakPolarHBondContact O-CG2 3.1Å; I207-V211 PolarHBondContact O-N 3.48Å; I207-V305 HydrophobicContact CG2-CG1 4.06Å; I207-V305 HydrophobicContact CG2-CG2 4.04Å; I207-I316 HydrophobicContact CG2-CG2 4.15Å; I207-L319 HydrophobicContact CD1-CD2 3.99Å; I207-L323 HydrophobicContact CD1-CD1 4.25Å |
| 208 | W | 96.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 178.3 | 172.6 | -112.6 | 0 | 0 | 0 | 112.9 | L204 C205 N206 L210 V211 L212 L221 M225 L301 F304 V305 Y308 | L204-W208 WeakPolarHBondContact O-CB 3.37Å; L204-W208 PolarHBondContact O-N 2.94Å; C205-W208 PolarHBondContact O-N 3.29Å; N206-W208 VanDerWaalsContact C-N 3.31Å; N206-W208 PolarHBondContact O-N 2.97Å; W208-L210 VanDerWaalsContact C-N 3.29Å; W208-L210 PolarHBondContact O-N 3.01Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.14Å; W208-V211 HydrophobicContact CZ3-CG1 3.95Å; W208-V211 WeakPolarHBondContact O-CB 3.35Å; W208-V211 PolarHBondContact O-N 2.87Å; W208-L212 HydrophobicContact CH2-CD1 4.46Å; W208-L212 HydrophobicContact CZ2-CD1 3.85Å; W208-L212 WeakPolarHBondContact O-CB 3.26Å; W208-L212 PolarHBondContact O-N 3.41Å; W208-L221 HydrophobicContact CH2-CB 4.15Å; W208-L221 HydrophobicContact CH2-CD2 4.03Å; W208-L221 HydrophobicContact CH2-CG 4.28Å; W208-L221 HydrophobicContact CZ2-CB 4.43Å; W208-M225 HydrophobicContact CG-CE 4.36Å; W208-M225 HydrophobicContact CZ2-CB 4.36Å; W208-M225 HydrophobicContact CZ2-CG 4.48Å; W208-M225 HydrophobicContact CZ2-SD 4.38Å; W208-M225 PolarHBondContact NE1-SD 2.85Å; W208-L301 HydrophobicContact CB-CD2 3.75Å; W208-L301 HydrophobicContact CG-CD2 3.82Å; W208-F304 HydrophobicContact CD2-CB 4.15Å; W208-F304 HydrophobicContact CE3-CB 3.78Å; W208-F304 HydrophobicContact CH2-CB 3.84Å; W208-F304 AromaticContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CD1 3.44Å; W208-F304 VanDerWaalsContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CE1 4.39Å; W208-F304 HydrophobicContact CH2-CG 4.02Å; W208-F304 HydrophobicContact CZ2-CB 4.17Å; W208-F304 AromaticContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CE1 4.48Å; W208-F304 HydrophobicContact CZ2-CG 4.17Å; W208-F304 HydrophobicContact CZ3-CB 3.63Å; W208-F304 HydrophobicContact CZ3-CD1 4.09Å; W208-F304 HydrophobicContact CZ3-CG 4.33Å; W208-F304 WeakPolarHBondContact CZ3-O 3.33Å; W208-V305 HydrophobicContact CB-CG2 3.99Å; W208-V305 HydrophobicContact CE3-CG2 4.17Å; W208-Y308 AromaticContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CG 4.43Å; W208-Y308 HydrophobicContact CZ3-CD2 4.04Å; W208-Y308 HydrophobicContact CZ3-CG 4.46Å |
| 209 | L | 95.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -40.6 | 176.1 | -72.1 | 173.5 | 0 | 0 | 0 | 111.2 | C205 N206 L212 L213 | C205-L209 WeakPolarHBondContact O-CB 3.32Å; C205-L209 VanDerWaalsContact O-CG 3.29Å; C205-L209 WeakPolarHBondContact O-CG 3.22Å; C205-L209 PolarHBondContact O-N 3.02Å; N206-L209 PolarHBondContact O-N 3.46Å; L209-L212 PolarHBondContact O-N 3.24Å; L209-L213 WeakPolarHBondContact O-CB 3.42Å; L209-L213 WeakPolarHBondContact O-CG 3.28Å; L209-L213 PolarHBondContact O-N 3.06Å |
| 210 | L | 93.2 | Very high | 92.9 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.1 | -69.4 | 170.6 | 0 | 0 | 0 | 111.7 | N206 I207 W208 L212 L213 L214 | N206-L210 VanDerWaalsContact O-CG 3.32Å; N206-L210 WeakPolarHBondContact O-CG 3.43Å; N206-L210 PolarHBondContact O-N 3.39Å; I207-L210 WeakPolarHBondContact O-CB 3.37Å; I207-L210 PolarHBondContact O-N 3.47Å; W208-L210 VanDerWaalsContact C-N 3.29Å; W208-L210 PolarHBondContact O-N 3.01Å; L210-L212 PolarHBondContact O-N 3.5Å; L210-L213 PolarHBondContact O-N 2.85Å; L210-L214 WeakPolarHBondContact O-CB 3.32Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.75Å |
| 211 | V | 92.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.4 | -49.5 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | I207 W208 L213 L214 H215 T309 Y393 | I207-V211 WeakPolarHBondContact O-CG2 3.1Å; I207-V211 PolarHBondContact O-N 3.48Å; W208-V211 HydrophobicContact CE3-CB 4.26Å; W208-V211 HydrophobicContact CE3-CG1 4.14Å; W208-V211 HydrophobicContact CZ3-CG1 3.95Å; W208-V211 WeakPolarHBondContact O-CB 3.35Å; W208-V211 PolarHBondContact O-N 2.87Å; V211-L213 VanDerWaalsContact C-N 3.33Å; V211-L213 PolarHBondContact O-N 2.93Å; V211-L214 PolarHBondContact O-N 3.15Å; V211-H215 VanDerWaalsContact O-CB 3.28Å; V211-H215 WeakPolarHBondContact O-CB 3.29Å; V211-H215 PolarHBondContact O-N 3.36Å; V211-T309 HydrophobicContact CB-CG2 4.49Å; V211-T309 HydrophobicContact CG1-CG2 4.08Å; V211-T309 HydrophobicContact CG2-CG2 3.52Å; V211-Y393 HydrophobicContact CG1-CE1 4.39Å |
| 212 | L | 92.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 179.2 | -168.5 | 86.2 | 0 | 0 | 0 | 112.1 | W208 L209 L210 R218 L221 L222 | W208-L212 HydrophobicContact CH2-CD1 4.46Å; W208-L212 HydrophobicContact CZ2-CD1 3.85Å; W208-L212 WeakPolarHBondContact O-CB 3.26Å; W208-L212 PolarHBondContact O-N 3.41Å; L209-L212 PolarHBondContact O-N 3.24Å; L210-L212 PolarHBondContact O-N 3.5Å; L212-R218 HydrophobicContact CG-CB 4.47Å; L212-R218 WeakPolarHBondContact O-CB 3.09Å; L212-L221 HydrophobicContact CD1-CB 3.8Å; L212-L222 HydrophobicContact CD1-CB 4.08Å; L212-L222 HydrophobicContact CD2-CD1 4.17Å |
| 213 | L | 90.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 179.7 | -74.8 | 172.6 | 0 | 0 | 0 | 112.3 | L209 L210 V211 P396 | L209-L213 WeakPolarHBondContact O-CB 3.42Å; L209-L213 WeakPolarHBondContact O-CG 3.28Å; L209-L213 PolarHBondContact O-N 3.06Å; L210-L213 PolarHBondContact O-N 2.85Å; V211-L213 VanDerWaalsContact C-N 3.33Å; V211-L213 PolarHBondContact O-N 2.93Å; L213-P396 WeakPolarHBondContact O-CG 3.45Å |
| 214 | L | 89.4 | Confident | 92.3 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -86 | -15.9 | -177.8 | -61.2 | 177.3 | 0 | 0 | 0 | 113.2 | L210 V211 Y393 C394 W395 I407 | L210-L214 WeakPolarHBondContact O-CB 3.32Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.75Å; V211-L214 PolarHBondContact O-N 3.15Å; L214-Y393 HydrophobicContact CB-CD1 3.75Å; L214-Y393 HydrophobicContact CB-CE1 4.31Å; L214-Y393 CarbonylContact O-C 3.59Å; L214-Y393 VanDerWaalsContact O-CA 3.31Å; L214-Y393 WeakPolarHBondContact O-CA 3.07Å; L214-C394 PolarHBondContact O-N 3.01Å; L214-C394 VanDerWaalsContact O-O 3.04Å; L214-W395 HydrophobicContact CD2-CE3 3.61Å; L214-W395 HydrophobicContact CD2-CZ3 3.81Å; L214-I407 HydrophobicContact CD1-CD1 4.37Å; L214-I407 HydrophobicContact CD2-CD1 4.11Å |
| 215 | H | 89.2 | Confident | 92.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -77 | 133.3 | -177.9 | -159.7 | -86.9 | 0 | 0 | 0 | 111.8 | V211 H217 R218 L221 P390 Y393 | V211-H215 VanDerWaalsContact O-CB 3.28Å; V211-H215 WeakPolarHBondContact O-CB 3.29Å; V211-H215 PolarHBondContact O-N 3.36Å; H215-H217 VanDerWaalsContact C-N 3.31Å; H215-H217 PolarHBondContact ND1-N 3.41Å; H215-H217 VanDerWaalsContact ND1-N 3.17Å; H215-H217 PolarHBondContact O-N 3.3Å; H215-R218 PolarHBondContact O-N 3.33Å; H215-L221 HydrophobicContact CB-CD2 3.88Å; H215-L221 VanDerWaalsContact CG-CD2 3.5Å; H215-P390 PolarHBondContact CE1-O 3.23Å; H215-P390 PolarHBondContact NE2-O 3.47Å; H215-Y393 AromaticContact CD2-CZ 3.94Å |
| 216 | K | 85.4 | Confident | 92.1 | Very high | 103 Ų | 103 | 38.2 Ų | 38.2 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -39.2 | -179.4 | -171.5 | -175.2 | -170.5 | -177.6 | 0 | 112.6 | R218 E392 C394 | K216-R218 PolarHBondContact O-N 3.34Å; K216-E392 HydrophobicContact CB-CB 4.16Å; K216-E392 VanDerWaalsContact CB-O 3.3Å; K216-E392 WeakPolarHBondContact CB-O 3.48Å; K216-E392 HydrophobicContact CD-CB 4.04Å; K216-E392 WeakPolarHBondContact CD-OE2 3.48Å; K216-E392 PolarHBondContact N-O 3.2Å; K216-E392 IonicContact NZ-OE2 3.18Å; K216-E392 PolarHBondContact NZ-OE2 3.16Å; K216-C394 HydrophobicContact CB-CB 4.44Å |
| 217 | H | 87.6 | Confident | 91.9 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 13% | 0.125 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 34.3 | -178.9 | -61.7 | -71.1 | 0 | 0 | 0 | 114.1 | H215 S219 I220 L221 V389 | H215-H217 VanDerWaalsContact C-N 3.31Å; H215-H217 PolarHBondContact ND1-N 3.41Å; H215-H217 VanDerWaalsContact ND1-N 3.17Å; H215-H217 PolarHBondContact O-N 3.3Å; H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 2.8Å; H217-S219 VanDerWaalsContact O-N 3.07Å; H217-I220 HydrophobicContact CB-CD1 4.36Å; H217-I220 PolarHBondContact O-N 2.94Å; H217-L221 HydrophobicContact CB-CD1 4.37Å; H217-L221 WeakPolarHBondContact O-CD1 3.28Å; H217-L221 PolarHBondContact O-N 3.42Å; H217-V389 HydrophobicContact CB-CG1 3.88Å |
| 218 | R | 89.7 | Confident | 91.9 | Very high | 117 Ų | 117 | 33.1 Ų | 33.1 | 44% | 0.442 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -48.7 | -36 | -174.2 | 63.4 | -171.8 | 178.7 | -174.2 | 0.8 | 116.2 | L212 H215 K216 I220 L221 L222 | L212-R218 HydrophobicContact CG-CB 4.47Å; L212-R218 WeakPolarHBondContact O-CB 3.09Å; H215-R218 PolarHBondContact O-N 3.33Å; K216-R218 PolarHBondContact O-N 3.34Å; R218-I220 PolarHBondContact O-N 2.94Å; R218-L221 PolarHBondContact O-N 3.28Å; R218-L222 WeakPolarHBondContact O-CB 3.31Å; R218-L222 PolarHBondContact O-N 2.97Å |
| 219 | S | 88.6 | Confident | 91.8 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 179.3 | 53 | 0 | 0 | 0 | 0 | 112.5 | P140 T145 H217 R223 | P140-S219 VanDerWaalsContact CB-OG 3.31Å; P140-S219 WeakPolarHBondContact CB-OG 3.32Å; T145-S219 WeakPolarHBondContact CG2-O 3.22Å; T145-S219 PolarHBondContact OG1-O 3.26Å; H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 2.8Å; H217-S219 VanDerWaalsContact O-N 3.07Å; S219-R223 VanDerWaalsContact O-CB 3.29Å; S219-R223 WeakPolarHBondContact O-CB 3.18Å; S219-R223 PolarHBondContact O-N 3.36Å |
| 220 | I | 90.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -44.9 | 178.9 | -59.5 | 177 | 0 | 0 | 0 | 109.8 | L138 H217 R218 R223 R224 V385 V389 | L138-I220 HydrophobicContact CB-CD1 3.8Å; L138-I220 HydrophobicContact CD2-CD1 3.56Å; L138-I220 HydrophobicContact CG-CD1 4.32Å; H217-I220 HydrophobicContact CB-CD1 4.36Å; H217-I220 PolarHBondContact O-N 2.94Å; R218-I220 PolarHBondContact O-N 2.94Å; I220-R223 PolarHBondContact O-N 2.86Å; I220-R224 VanDerWaalsContact O-CG 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.28Å; I220-R224 PolarHBondContact O-N 3Å; I220-V385 HydrophobicContact CD1-CG2 4.05Å; I220-V385 HydrophobicContact CG1-CG2 4.48Å; I220-V385 HydrophobicContact CG2-CG2 4.3Å; I220-V389 HydrophobicContact CG2-CG2 3.99Å |
| 221 | L | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.9 | -84.9 | 61.7 | 0 | 0 | 0 | 111.1 | W208 L212 H215 H217 R218 R223 R224 M225 Y308 V389 | W208-L221 HydrophobicContact CH2-CB 4.15Å; W208-L221 HydrophobicContact CH2-CD2 4.03Å; W208-L221 HydrophobicContact CH2-CG 4.28Å; W208-L221 HydrophobicContact CZ2-CB 4.43Å; L212-L221 HydrophobicContact CD1-CB 3.8Å; H215-L221 HydrophobicContact CB-CD2 3.88Å; H215-L221 VanDerWaalsContact CG-CD2 3.5Å; H217-L221 HydrophobicContact CB-CD1 4.37Å; H217-L221 WeakPolarHBondContact O-CD1 3.28Å; H217-L221 PolarHBondContact O-N 3.42Å; R218-L221 PolarHBondContact O-N 3.28Å; L221-R223 PolarHBondContact O-N 3.23Å; L221-R224 PolarHBondContact O-N 2.93Å; L221-M225 WeakPolarHBondContact O-CB 3.26Å; L221-M225 PolarHBondContact O-N 3.23Å; L221-Y308 HydrophobicContact CD1-CD1 3.69Å; L221-Y308 HydrophobicContact CD1-CE1 3.59Å; L221-Y308 HydrophobicContact CD1-CG 4.4Å; L221-Y308 HydrophobicContact CD2-CD1 3.73Å; L221-Y308 HydrophobicContact CD2-CD2 4.29Å; L221-Y308 HydrophobicContact CD2-CE1 4.36Å; L221-Y308 HydrophobicContact CD2-CG 3.66Å; L221-Y308 HydrophobicContact CG-CD1 3.55Å; L221-Y308 HydrophobicContact CG-CD2 4.1Å; L221-Y308 HydrophobicContact CG-CE1 3.66Å; L221-Y308 HydrophobicContact CG-CE2 4.22Å; L221-Y308 HydrophobicContact CG-CG 3.76Å; L221-V389 HydrophobicContact CD1-CG1 4.06Å |
| 222 | L | 92.5 | Very high | 91.9 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 28% | 0.277 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 178 | -176.4 | 61 | 0 | 0 | 0 | 111.1 | T145 L212 R218 R224 M225 C226 | T145-L222 HydrophobicContact CG2-CB 4.21Å; T145-L222 HydrophobicContact CG2-CD2 3.98Å; T145-L222 HydrophobicContact CG2-CG 4.22Å; L212-L222 HydrophobicContact CD1-CB 4.08Å; L212-L222 HydrophobicContact CD2-CD1 4.17Å; R218-L222 WeakPolarHBondContact O-CB 3.31Å; R218-L222 PolarHBondContact O-N 2.97Å; L222-R224 PolarHBondContact O-N 2.75Å; L222-M225 PolarHBondContact O-N 3.46Å; L222-C226 WeakPolarHBondContact O-CB 3.19Å; L222-C226 PolarHBondContact O-N 3.47Å; L222-C226 PolarHBondContact O-SG 2.97Å |
| 223 | R | 92.8 | Very high | 92 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 177.1 | -176.6 | -176.1 | 70.1 | -167.8 | 5.6 | 112.2 | E141 T145 S148 S219 I220 L221 S227 F381 E382 | E141-R223 IonicContact OE2-NH1 3.3Å; T145-R223 HydrophobicContact CG2-CB 4.34Å; S148-R223 PolarHBondContact OG-O 2.83Å; S219-R223 VanDerWaalsContact O-CB 3.29Å; S219-R223 WeakPolarHBondContact O-CB 3.18Å; S219-R223 PolarHBondContact O-N 3.36Å; I220-R223 PolarHBondContact O-N 2.86Å; L221-R223 PolarHBondContact O-N 3.23Å; R223-S227 VanDerWaalsContact O-CB 3.31Å; R223-S227 WeakPolarHBondContact O-CB 3.43Å; R223-S227 PolarHBondContact O-N 2.73Å; R223-F381 HydrophobicContact CG-CB 4.38Å; R223-F381 HydrophobicContact CG-CD1 3.91Å; R223-F381 HydrophobicContact CG-CE1 4.47Å; R223-F381 HydrophobicContact CG-CG 4.22Å; R223-F381 PolarHBondContact NE-O 3.06Å; R223-F381 PolarHBondContact NH1-O 2.94Å; R223-F381 PolarHBondContact NH2-O 3.42Å; R223-E382 IonicContact CZ-OE1 2.72Å; R223-E382 IonicContact NE-OE1 3.54Å; R223-E382 IonicContact NH2-OE1 3.34Å; R223-E382 PolarHBondContact NH2-OE1 3.15Å |
| 224 | R | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 177.8 | -70 | -179 | 169.8 | -173.4 | 5.6 | 111.2 | I220 L221 L222 S227 L228 F304 Y308 Y356 E382 | I220-R224 VanDerWaalsContact O-CG 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.28Å; I220-R224 PolarHBondContact O-N 3Å; L221-R224 PolarHBondContact O-N 2.93Å; L222-R224 PolarHBondContact O-N 2.75Å; R224-S227 PolarHBondContact O-N 3.35Å; R224-L228 WeakPolarHBondContact O-CB 3.29Å; R224-L228 PolarHBondContact O-N 3.18Å; R224-F304 HydrophobicContact CB-CE1 4.16Å; R224-F304 HydrophobicContact CB-CZ 4.3Å; R224-Y308 WeakPolarHBondContact CD-OH 3.27Å; R224-Y308 PolarHBondContact NH1-OH 3.02Å; R224-Y356 HydrophobicContact CB-CE1 4.05Å; R224-Y356 HydrophobicContact CG-CE1 3.73Å; R224-Y356 WeakPolarHBondContact CG-OH 3.05Å; R224-E382 IonicContact CZ-OE2 2.76Å; R224-E382 IonicContact NE-OE1 3.99Å; R224-E382 PolarHBondContact NE-OE1 2.9Å; R224-E382 VanDerWaalsContact NE-OE1 3.15Å; R224-E382 IonicContact NE-OE2 2.75Å; R224-E382 PolarHBondContact NE-OE2 3.39Å; R224-E382 IonicContact NH2-OE1 2.86Å; R224-E382 IonicContact NH2-OE2 3.42Å; R224-E382 PolarHBondContact NH2-OE2 3.1Å |
| 225 | M | 94.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 15% | 0.148 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -51.7 | 176.7 | -169.1 | -152.1 | -163.6 | 0 | 0 | 111.7 | W208 L221 L222 S227 L228 M229 L301 F304 | W208-M225 HydrophobicContact CG-CE 4.36Å; W208-M225 HydrophobicContact CZ2-CB 4.36Å; W208-M225 HydrophobicContact CZ2-CG 4.48Å; W208-M225 HydrophobicContact CZ2-SD 4.38Å; W208-M225 PolarHBondContact NE1-SD 2.85Å; L221-M225 WeakPolarHBondContact O-CB 3.26Å; L221-M225 PolarHBondContact O-N 3.23Å; L222-M225 PolarHBondContact O-N 3.46Å; M225-S227 VanDerWaalsContact C-N 3.35Å; M225-S227 PolarHBondContact O-N 3.09Å; M225-L228 PolarHBondContact O-N 2.66Å; M225-M229 WeakPolarHBondContact O-CB 3.43Å; M225-M229 PolarHBondContact O-N 2.86Å; M225-L301 HydrophobicContact CE-CD2 3.58Å; M225-F304 HydrophobicContact CB-CD1 4.44Å; M225-F304 HydrophobicContact CB-CE1 3.94Å; M225-F304 HydrophobicContact CB-CE2 4.23Å; M225-F304 HydrophobicContact CB-CZ 3.85Å; M225-F304 HydrophobicContact CG-CD2 4.37Å; M225-F304 HydrophobicContact CG-CE2 4.18Å; M225-F304 HydrophobicContact CG-CZ 4.31Å |
| 226 | C | 94.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 8% | 0.081 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 179.2 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | S148 V152 L222 G230 | S148-C226 WeakPolarHBondContact O-CB 3.4Å; S148-C226 VanDerWaalsContact OG-CB 3.31Å; S148-C226 WeakPolarHBondContact OG-CB 3Å; V152-C226 HydrophobicContact CB-CB 4.08Å; V152-C226 HydrophobicContact CG1-CB 3.78Å; L222-C226 WeakPolarHBondContact O-CB 3.19Å; L222-C226 PolarHBondContact O-N 3.47Å; L222-C226 PolarHBondContact O-SG 2.97Å; C226-G230 PolarHBondContact O-N 3.22Å |
| 227 | S | 93.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.5 | -174 | 0 | 0 | 0 | 0 | 112.2 | S148 R223 R224 M225 T231 | S148-S227 PolarHBondContact OG-N 3.27Å; R223-S227 VanDerWaalsContact O-CB 3.31Å; R223-S227 WeakPolarHBondContact O-CB 3.43Å; R223-S227 PolarHBondContact O-N 2.73Å; R224-S227 PolarHBondContact O-N 3.35Å; M225-S227 VanDerWaalsContact C-N 3.35Å; M225-S227 PolarHBondContact O-N 3.09Å; S227-T231 WeakPolarHBondContact O-CB 3.46Å; S227-T231 PolarHBondContact O-N 3.23Å; S227-T231 PolarHBondContact O-OG1 2.86Å |
| 228 | L | 94.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.2 | -47.9 | -179.8 | -82 | 173.2 | 0 | 0 | 0 | 111.4 | R224 M225 G230 T231 V232 M300 F304 F353 Y356 | R224-L228 WeakPolarHBondContact O-CB 3.29Å; R224-L228 PolarHBondContact O-N 3.18Å; M225-L228 PolarHBondContact O-N 2.66Å; L228-G230 PolarHBondContact O-N 3.2Å; L228-T231 PolarHBondContact O-N 3.32Å; L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.25Å; L228-M300 HydrophobicContact CB-CE 3.9Å; L228-M300 HydrophobicContact CB-SD 4.18Å; L228-M300 HydrophobicContact CD1-SD 4.46Å; L228-F304 HydrophobicContact CB-CE2 4.47Å; L228-F304 HydrophobicContact CD1-CE2 3.91Å; L228-F304 HydrophobicContact CD1-CZ 3.72Å; L228-F353 HydrophobicContact CD1-CD2 4.11Å; L228-Y356 HydrophobicContact CD1-CD1 3.95Å; L228-Y356 HydrophobicContact CD1-CD2 4.38Å; L228-Y356 HydrophobicContact CD1-CG 3.9Å; L228-Y356 HydrophobicContact CD2-CD2 3.67Å; L228-Y356 HydrophobicContact CD2-CE2 4.48Å; L228-Y356 HydrophobicContact CD2-CG 3.75Å; L228-Y356 HydrophobicContact CG-CD1 4.36Å; L228-Y356 HydrophobicContact CG-CD2 3.92Å; L228-Y356 HydrophobicContact CG-CE2 4.32Å; L228-Y356 HydrophobicContact CG-CG 3.95Å |
| 229 | M | 95.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 21.8 Ų | 21.8 | 5% | 0.054 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 179.6 | -167.6 | 65.1 | 81.6 | 0 | 0 | 111.2 | V152 F156 M225 T231 V232 F233 V296 V297 M300 | V152-M229 HydrophobicContact CG2-CB 4.17Å; V152-M229 HydrophobicContact CG2-CG 4.25Å; F156-M229 HydrophobicContact CE1-CG 3.9Å; F156-M229 HydrophobicContact CZ-CG 3.53Å; M225-M229 WeakPolarHBondContact O-CB 3.43Å; M225-M229 PolarHBondContact O-N 2.86Å; M229-T231 PolarHBondContact O-N 3.4Å; M229-V232 PolarHBondContact O-N 3.18Å; M229-F233 HydrophobicContact CG-CD2 4Å; M229-F233 HydrophobicContact CG-CE2 4.18Å; M229-F233 WeakPolarHBondContact O-CB 3.44Å; M229-F233 WeakPolarHBondContact O-CD2 3.41Å; M229-F233 PolarHBondContact O-N 3.1Å; M229-F233 HydrophobicContact SD-CD2 3.67Å; M229-F233 HydrophobicContact SD-CE2 3.39Å; M229-F233 WeakPolarHBondContact SD-CE2 3.44Å; M229-V296 HydrophobicContact SD-CG1 4.19Å; M229-V297 HydrophobicContact CE-CG2 4.22Å; M229-V297 HydrophobicContact SD-CG2 4.26Å; M229-M300 HydrophobicContact CE-CB 3.94Å; M229-M300 HydrophobicContact CE-CG 3.79Å |
| 230 | G | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y151 C226 L228 V232 F233 M234 | Y151-G230 PolarHBondContact OH-O 3.44Å; C226-G230 PolarHBondContact O-N 3.22Å; L228-G230 PolarHBondContact O-N 3.2Å; G230-V232 PolarHBondContact O-N 3.3Å; G230-F233 PolarHBondContact O-N 3.34Å; G230-M234 WeakPolarHBondContact O-CB 3.29Å; G230-M234 PolarHBondContact O-N 2.86Å |
| 231 | T | 93.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 26.2 Ų | 26.2 | 34% | 0.337 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 178.3 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | S227 L228 M229 M234 L235 | S227-T231 WeakPolarHBondContact O-CB 3.46Å; S227-T231 PolarHBondContact O-N 3.23Å; S227-T231 PolarHBondContact O-OG1 2.86Å; L228-T231 PolarHBondContact O-N 3.32Å; M229-T231 PolarHBondContact O-N 3.4Å; T231-M234 PolarHBondContact O-N 3.47Å; T231-L235 PolarHBondContact O-N 2.9Å; T231-L235 VanDerWaalsContact O-N 3.13Å |
| 232 | V | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L228 M229 G230 L235 R236 F291 V296 M300 L352 | L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 3.25Å; M229-V232 PolarHBondContact O-N 3.18Å; G230-V232 PolarHBondContact O-N 3.3Å; V232-L235 WeakPolarHBondContact O-CB 3.48Å; V232-L235 PolarHBondContact O-N 3.35Å; V232-R236 PolarHBondContact O-N 3Å; V232-F291 HydrophobicContact CG1-CE1 3.42Å; V232-F291 VanDerWaalsContact CG1-CE1 3.42Å; V232-F291 HydrophobicContact CG1-CZ 3.47Å; V232-F291 VanDerWaalsContact CG1-CZ 3.47Å; V232-V296 HydrophobicContact CB-CG1 4.28Å; V232-V296 HydrophobicContact CG1-CB 4.33Å; V232-V296 HydrophobicContact CG1-CG1 3.45Å; V232-V296 VanDerWaalsContact CG1-CG1 3.45Å; V232-V296 HydrophobicContact CG1-CG2 3.84Å; V232-M300 HydrophobicContact CG2-CE 3.83Å; V232-L352 HydrophobicContact CG2-CD1 3.55Å |
| 233 | F | 94.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 7% | 0.066 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71 | -30.4 | 178 | -88 | -97.7 | 0 | 0 | 0 | 112.9 | V155 F156 T159 M229 G230 R236 C237 V296 V297 | V155-F233 HydrophobicContact CG1-CB 3.63Å; F156-F233 HydrophobicContact CD1-CD1 4.23Å; F156-F233 HydrophobicContact CD1-CG 4.25Å; F156-F233 HydrophobicContact CE1-CB 4.41Å; F156-F233 HydrophobicContact CE1-CD1 4.08Å; F156-F233 AromaticContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CD2 3.85Å; F156-F233 HydrophobicContact CE1-CE1 4.29Å; F156-F233 HydrophobicContact CE1-CE2 4.09Å; F156-F233 AromaticContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CG 3.84Å; F156-F233 HydrophobicContact CE1-CZ 4.29Å; T159-F233 HydrophobicContact CG2-CD1 4.02Å; T159-F233 HydrophobicContact CG2-CE1 4.49Å; M229-F233 HydrophobicContact CG-CD2 4Å; M229-F233 HydrophobicContact CG-CE2 4.18Å; M229-F233 WeakPolarHBondContact O-CB 3.44Å; M229-F233 WeakPolarHBondContact O-CD2 3.41Å; M229-F233 PolarHBondContact O-N 3.1Å; M229-F233 HydrophobicContact SD-CD2 3.67Å; M229-F233 HydrophobicContact SD-CE2 3.39Å; M229-F233 WeakPolarHBondContact SD-CE2 3.44Å; G230-F233 PolarHBondContact O-N 3.34Å; F233-R236 VanDerWaalsContact O-CB 3.29Å; F233-R236 WeakPolarHBondContact O-CB 3.11Å; F233-R236 PolarHBondContact O-N 3.45Å; F233-C237 PolarHBondContact O-N 3.25Å; F233-C237 PolarHBondContact O-SG 2.98Å; F233-V296 HydrophobicContact CD2-CG1 4.27Å; F233-V296 HydrophobicContact CE2-CB 4.36Å; F233-V296 HydrophobicContact CE2-CG1 3.77Å; F233-V297 HydrophobicContact CE2-CG2 3.94Å; F233-V297 HydrophobicContact CZ-CG2 3.81Å |
| 234 | M | 94.1 | Very high | 92.3 | Very high | 71 Ų | 71 | 33.2 Ų | 33.2 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 171.9 | -126.2 | -53.9 | -78 | 0 | 0 | 111.5 | V155 F158 G230 T231 R236 C237 V238 | V155-M234 HydrophobicContact CG1-CB 4.48Å; V155-M234 HydrophobicContact CG1-CG 4.48Å; V155-M234 HydrophobicContact CG2-CG 4.1Å; F158-M234 HydrophobicContact CD1-SD 4.25Å; F158-M234 HydrophobicContact CE1-SD 4.06Å; G230-M234 WeakPolarHBondContact O-CB 3.29Å; G230-M234 PolarHBondContact O-N 2.86Å; T231-M234 PolarHBondContact O-N 3.47Å; M234-R236 VanDerWaalsContact C-N 3.28Å; M234-R236 PolarHBondContact O-N 3.32Å; M234-C237 WeakPolarHBondContact O-CB 3.32Å; M234-C237 PolarHBondContact O-N 2.78Å; M234-C237 HydrophobicContact SD-CB 4.4Å; M234-V238 HydrophobicContact CE-CG2 3.73Å; M234-V238 PolarHBondContact O-N 3Å; M234-V238 VanDerWaalsContact O-N 3.16Å; M234-V238 HydrophobicContact SD-CG2 4.45Å |
| 235 | L | 93.2 | Very high | 91.9 | Very high | 74 Ų | 74 | 35 Ų | 35 | 39% | 0.387 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 173.9 | 179.4 | 62.1 | 0 | 0 | 0 | 110.7 | T231 V232 C237 V238 T239 I348 | T231-L235 PolarHBondContact O-N 2.9Å; T231-L235 VanDerWaalsContact O-N 3.13Å; V232-L235 WeakPolarHBondContact O-CB 3.48Å; V232-L235 PolarHBondContact O-N 3.35Å; L235-C237 PolarHBondContact O-N 2.73Å; L235-V238 PolarHBondContact O-N 3.45Å; L235-T239 HydrophobicContact CD1-CG2 4.33Å; L235-T239 WeakPolarHBondContact O-CG2 3.37Å; L235-T239 PolarHBondContact O-N 3.49Å; L235-T239 PolarHBondContact O-OG1 3.44Å; L235-I348 HydrophobicContact CD2-CD1 4.21Å; L235-I348 HydrophobicContact CD2-CG2 4.09Å |
| 236 | R | 92.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.6 | -48 | 174 | -171.4 | 179.5 | -173.1 | -159.7 | 4.1 | 112.4 | V232 F233 M234 V238 T239 M240 D288 F291 G293 | V232-R236 PolarHBondContact O-N 3Å; F233-R236 VanDerWaalsContact O-CB 3.29Å; F233-R236 WeakPolarHBondContact O-CB 3.11Å; F233-R236 PolarHBondContact O-N 3.45Å; M234-R236 VanDerWaalsContact C-N 3.28Å; M234-R236 PolarHBondContact O-N 3.32Å; R236-V238 VanDerWaalsContact C-N 3.29Å; R236-V238 PolarHBondContact O-N 2.96Å; R236-T239 WeakPolarHBondContact CA-OG1 3.33Å; R236-T239 PolarHBondContact O-N 2.68Å; R236-T239 PolarHBondContact O-OG1 2.75Å; R236-M240 HydrophobicContact CG-CE 3.61Å; R236-M240 HydrophobicContact CG-CG 4.12Å; R236-M240 HydrophobicContact CG-SD 3.69Å; R236-M240 PolarHBondContact NE-SD 3.04Å; R236-M240 VanDerWaalsContact NE-SD 3.37Å; R236-M240 WeakPolarHBondContact O-CB 3.41Å; R236-M240 VanDerWaalsContact O-CG 3.29Å; R236-M240 WeakPolarHBondContact O-CG 3.46Å; R236-M240 PolarHBondContact O-N 3.3Å; R236-D288 IonicContact CZ-OD2 2.81Å; R236-D288 PolarHBondContact NH2-O 3.4Å; R236-D288 IonicContact NH2-OD2 3.13Å; R236-D288 PolarHBondContact NH2-OD2 3.42Å; R236-F291 HydrophobicContact CB-CD1 3.46Å; R236-F291 VanDerWaalsContact CB-CD1 3.46Å; R236-F291 HydrophobicContact CB-CE1 4Å; R236-F291 HydrophobicContact CB-CG 4.42Å; R236-F291 WeakPolarHBondContact CD-O 3.48Å; R236-F291 HydrophobicContact CG-CB 4.15Å; R236-F291 HydrophobicContact CG-CD1 3.58Å; R236-F291 HydrophobicContact CG-CE1 4.5Å; R236-F291 HydrophobicContact CG-CG 4.34Å; R236-F291 VanDerWaalsContact CZ-O 3.29Å; R236-F291 PolarHBondContact NE-O 3.12Å; R236-F291 PolarHBondContact NH2-O 3.05Å; R236-G293 VanDerWaalsContact NH1-CA 3.27Å |
| 237 | C | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -45.1 | 179.2 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | F158 T159 V162 F233 M234 L235 F241 | F158-C237 HydrophobicContact CD1-CB 3.94Å; F158-C237 HydrophobicContact CE1-CB 3.67Å; T159-C237 WeakPolarHBondContact CA-SG 3.43Å; T159-C237 PolarHBondContact OG1-SG 3.32Å; V162-C237 HydrophobicContact CG2-CB 4.25Å; F233-C237 PolarHBondContact O-N 3.25Å; F233-C237 PolarHBondContact O-SG 2.98Å; M234-C237 WeakPolarHBondContact O-CB 3.32Å; M234-C237 PolarHBondContact O-N 2.78Å; M234-C237 HydrophobicContact SD-CB 4.4Å; L235-C237 PolarHBondContact O-N 2.73Å; C237-F241 WeakPolarHBondContact O-CB 3.19Å; C237-F241 PolarHBondContact O-N 3.37Å; C237-F241 VanDerWaalsContact O-N 3.08Å |
| 238 | V | 92.1 | Very high | 90.4 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 42% | 0.418 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | M234 L235 R236 F241 V242 | M234-V238 HydrophobicContact CE-CG2 3.73Å; M234-V238 PolarHBondContact O-N 3Å; M234-V238 VanDerWaalsContact O-N 3.16Å; M234-V238 HydrophobicContact SD-CG2 4.45Å; L235-V238 PolarHBondContact O-N 3.45Å; R236-V238 VanDerWaalsContact C-N 3.29Å; R236-V238 PolarHBondContact O-N 2.96Å; V238-F241 PolarHBondContact O-N 3.49Å; V238-V242 HydrophobicContact CG1-CG2 4.24Å; V238-V242 WeakPolarHBondContact O-CB 3.38Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.37Å |
| 239 | T | 91.4 | Very high | 89.5 | Confident | 34 Ų | 34 | 34 Ų | 34 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | -177.6 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | L235 R236 F241 V242 T243 | L235-T239 HydrophobicContact CD1-CG2 4.33Å; L235-T239 WeakPolarHBondContact O-CG2 3.37Å; L235-T239 PolarHBondContact O-N 3.49Å; L235-T239 PolarHBondContact O-OG1 3.44Å; R236-T239 WeakPolarHBondContact CA-OG1 3.33Å; R236-T239 PolarHBondContact O-N 2.68Å; R236-T239 PolarHBondContact O-OG1 2.75Å; T239-F241 VanDerWaalsContact C-N 3.31Å; T239-F241 PolarHBondContact O-N 2.94Å; T239-V242 PolarHBondContact O-N 2.87Å; T239-T243 PolarHBondContact O-N 2.84Å |
| 240 | M | 88.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -35.7 | 178.5 | -66.3 | -175.7 | -49.8 | 0 | 0 | 112.2 | V162 M163 V166 R236 T243 D288 M290 | V162-M240 HydrophobicContact CG1-CE 4.36Å; M163-M240 HydrophobicContact CG-CE 4.37Å; M163-M240 HydrophobicContact SD-CE 3.64Å; M163-M240 HydrophobicContact SD-SD 3.87Å; V166-M240 HydrophobicContact CG2-CB 4.2Å; V166-M240 WeakPolarHBondContact CG2-O 3.42Å; R236-M240 HydrophobicContact CG-CE 3.61Å; R236-M240 HydrophobicContact CG-CG 4.12Å; R236-M240 HydrophobicContact CG-SD 3.69Å; R236-M240 PolarHBondContact NE-SD 3.04Å; R236-M240 VanDerWaalsContact NE-SD 3.37Å; R236-M240 WeakPolarHBondContact O-CB 3.41Å; R236-M240 VanDerWaalsContact O-CG 3.29Å; R236-M240 WeakPolarHBondContact O-CG 3.46Å; R236-M240 PolarHBondContact O-N 3.3Å; M240-T243 CarbonylContact O-C 3.55Å; M240-D288 HydrophobicContact SD-CB 3.66Å; M240-M290 WeakPolarHBondContact CG-O 3.4Å |
| 241 | F | 89.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 44.1 Ų | 44.1 | 45% | 0.452 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.8 | -40.2 | 177.6 | -178.6 | -92.8 | 0 | 0 | 0 | 112.4 | V162 I165 R169 C237 V238 T239 | V162-F241 HydrophobicContact CG1-CB 4.31Å; I165-F241 HydrophobicContact CG2-CE2 4.33Å; R169-F241 VanDerWaalsContact NH1-CD2 3.27Å; C237-F241 WeakPolarHBondContact O-CB 3.19Å; C237-F241 PolarHBondContact O-N 3.37Å; C237-F241 VanDerWaalsContact O-N 3.08Å; V238-F241 PolarHBondContact O-N 3.49Å; T239-F241 VanDerWaalsContact C-N 3.31Å; T239-F241 PolarHBondContact O-N 2.94Å |
| 242 | V | 90.3 | Very high | 85.9 | Confident | 105 Ų | 105 | 42.2 Ų | 42.2 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -69.3 | -42.2 | -179.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V238 T239 | V238-V242 HydrophobicContact CG1-CG2 4.24Å; V238-V242 WeakPolarHBondContact O-CB 3.38Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.37Å; T239-V242 PolarHBondContact O-N 2.87Å |
| 243 | T | 86.6 | Confident | 84.6 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | trans | -134.2 | 119.2 | -179.2 | -52 | 0 | 0 | 0 | 0 | 111 | T239 M240 L245 | T239-T243 PolarHBondContact O-N 2.84Å; M240-T243 CarbonylContact O-C 3.55Å; T243-L245 HydrophobicContact CG2-CD2 4.16Å | ||
| 244 | S | 83.1 | Confident | 83.4 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 121.6 | 173.7 | -50.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 245 | L | 85.6 | Confident | 81.9 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 159.4 | -178.9 | -61.5 | 177.1 | 0 | 0 | 0 | 111.7 | T243 M290 Y338 | T243-L245 HydrophobicContact CG2-CD2 4.16Å; L245-M290 HydrophobicContact CD1-CB 4.18Å; L245-Y338 HydrophobicContact CB-CE2 4.47Å |
| 246 | S | 85.5 | Confident | 80.2 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 155.5 | 172.8 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | P177 L179 Y338 | P177-S246 PolarHBondContact O-OG 3.3Å; L179-S246 WeakPolarHBondContact CD1-OG 3.39Å; S246-Y338 VanDerWaalsContact O-CE2 3.26Å; S246-Y338 WeakPolarHBondContact O-CE2 3.34Å; S246-Y338 PolarHBondContact O-OH 3.41Å; S246-Y338 PolarHBondContact OG-OH 3.38Å |
| 247 | V | 85.8 | Confident | 78.5 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 132.8 | -176.5 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | V170 M173 P178 G249 L252 C254 Y289 | V170-V247 HydrophobicContact CG1-CG2 3.63Å; M173-V247 HydrophobicContact CE-CB 4.05Å; M173-V247 HydrophobicContact CE-CG1 3.89Å; M173-V247 HydrophobicContact CG-CB 4.17Å; M173-V247 HydrophobicContact CG-CG2 3.94Å; M173-V247 HydrophobicContact SD-CB 4.3Å; M173-V247 HydrophobicContact SD-CG1 4.44Å; M173-V247 HydrophobicContact SD-CG2 4.12Å; P178-V247 WeakPolarHBondContact CG-O 3.3Å; V247-G249 VanDerWaalsContact C-N 3.32Å; V247-G249 VanDerWaalsContact CG1-O 3.26Å; V247-G249 WeakPolarHBondContact CG1-O 3.37Å; V247-G249 PolarHBondContact O-N 3.49Å; V247-L252 HydrophobicContact CG1-CB 3.88Å; V247-L252 HydrophobicContact CG1-CD1 4.1Å; V247-L252 HydrophobicContact CG1-CG 4.43Å; V247-C254 HydrophobicContact CG2-CB 4.49Å; V247-Y289 HydrophobicContact CB-CE2 4.2Å; V247-Y289 HydrophobicContact CG2-CE2 3.97Å |
| 248 | P | 79.9 | Confident | 76.8 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.065 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -73.4 | -18.9 | -175.8 | 27.4 | -33.8 | 0 | 0 | 0 | 114.2 | L184 Y289 E336 Y338 | L184-P248 HydrophobicContact CD1-CB 4.21Å; P248-Y289 VanDerWaalsContact CD-CZ 3.43Å; P248-Y289 HydrophobicContact CG-CD1 3.96Å; P248-Y289 HydrophobicContact CG-CE1 3.87Å; P248-E336 WeakPolarHBondContact CG-O 3.23Å; P248-Y338 HydrophobicContact CB-CD1 4.17Å; P248-Y338 HydrophobicContact CB-CD2 4.35Å; P248-Y338 HydrophobicContact CB-CE1 3.88Å; P248-Y338 HydrophobicContact CB-CE2 4.06Å; P248-Y338 HydrophobicContact CB-CG 4.4Å |
| 249 | G | 75.8 | Confident | 75.4 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | trans | -143.8 | 142.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M173 V247 H251 L252 | M173-G249 WeakPolarHBondContact CE-O 3.43Å; V247-G249 VanDerWaalsContact C-N 3.32Å; V247-G249 VanDerWaalsContact CG1-O 3.26Å; V247-G249 WeakPolarHBondContact CG1-O 3.37Å; V247-G249 PolarHBondContact O-N 3.49Å; G249-H251 PolarHBondContact O-N 2.84Å; G249-L252 PolarHBondContact O-N 2.92Å | ||
| 250 | Q | 68.6 | Low | 74.2 | Confident | 170 Ų | 170 | 65.9 Ų | 65.9 | 79% | 0.794 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.9 | 177.3 | -67 | -176.5 | -6.8 | 0 | 0 | 113.5 | L252 | Q250-L252 VanDerWaalsContact C-N 3.32Š|
| 251 | H | 69.3 | Low | 74 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 25% | 0.25 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.3 | -180 | 64.4 | -90.7 | 0 | 0 | 0 | 113.9 | R189 G249 Q253 H335 E336 | R189-H251 PolarHBondContact NE-CD2 3.37Å; R189-H251 PolarHBondContact NE-CE1 3.32Å; R189-H251 PolarHBondContact NE-ND1 3.27Å; R189-H251 PolarHBondContact NE-NE2 3.21Å; R189-H251 VanDerWaalsContact NH1-CG 3.26Å; R189-H251 PolarHBondContact NH2-CD2 2.96Å; R189-H251 PolarHBondContact NH2-NE2 3.13Å; G249-H251 PolarHBondContact O-N 2.84Å; H251-Q253 PolarHBondContact O-N 3.46Å; H251-H335 PolarHBondContact CE1-O 2.98Å; H251-E336 IonicContact CD2-OE1 3.89Å; H251-E336 PolarHBondContact CD2-OE1 2.91Å; H251-E336 IonicContact CE1-OE1 3.72Å; H251-E336 IonicContact NE2-OE1 2.68Å; H251-E336 PolarHBondContact NE2-OE1 2.7Å |
| 252 | L | 70.4 | Confident | 73.7 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -81.1 | 103.9 | 171.3 | -70.1 | 96.4 | 0 | 0 | 0 | 108.5 | V247 G249 Q250 C254 E336 | V247-L252 HydrophobicContact CG1-CB 3.88Å; V247-L252 HydrophobicContact CG1-CD1 4.1Å; V247-L252 HydrophobicContact CG1-CG 4.43Å; G249-L252 PolarHBondContact O-N 2.92Å; Q250-L252 VanDerWaalsContact C-N 3.32Å; L252-C254 VanDerWaalsContact C-N 3.31Å; L252-C254 PolarHBondContact O-N 3.08Å; L252-E336 WeakPolarHBondContact CD2-OE2 3.11Å; L252-E336 WeakPolarHBondContact CG-OE2 3.35Å |
| 253 | Q | 65.8 | Low | 73.5 | Confident | 187 Ų | 187 | 75.9 Ų | 75.9 | 87% | 0.874 | 40% | 0.4 | S | S | * | . | trans | -76.9 | 84.6 | 172.9 | -67 | -165.5 | -0.3 | 0 | 0 | 110.1 | H251 | H251-Q253 PolarHBondContact O-N 3.46Š| ||
| 254 | C | 71.1 | Confident | 73.4 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | trans | -90.9 | 98.7 | 178 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | V247 L252 G256 C286 | V247-C254 HydrophobicContact CG2-CB 4.49Å; L252-C254 VanDerWaalsContact C-N 3.31Å; L252-C254 PolarHBondContact O-N 3.08Å; C254-G256 PolarHBondContact O-N 3.29Å; C254-C286 HydrophobicContact CB-CB 3.7Å; C254-C286 WeakPolarHBondContact CB-SG 3.33Å; C254-C286 WeakPolarHBondContact SG-CB 3.21Å; C254-C286 CovalentContact SG-SG 2.01Å; C254-C286 PolarHBondContact SG-SG 3.43Å | ||
| 255 | T | 61.7 | Low | 73.6 | Confident | 94 Ų | 94 | 74.2 Ų | 74.2 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | trans | -83.9 | 97.2 | 172.3 | 14.4 | 0 | 0 | 0 | 0 | 110.7 | K257 | T255-K257 PolarHBondContact O-N 2.94Š| ||
| 256 | G | 57.7 | Low | 73.7 | Confident | 29 Ų | 29 | 76.2 Ų | 76.2 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -69.3 | 14.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | C254 | C254-G256 PolarHBondContact O-N 3.29Š|
| 257 | K | 57.2 | Low | 73.8 | Confident | 204 Ų | 204 | 81.2 Ų | 81.2 | 89% | 0.887 | 42% | 0.422 | S | S | * | . | trans | -145.8 | 48.1 | -173.6 | -64.4 | -171.8 | -179.3 | 178 | 0 | 115.1 | T255 | T255-K257 PolarHBondContact O-N 2.94Š| ||
| 258 | I | 57.1 | Low | 73.7 | Confident | 103 Ų | 103 | 84.8 Ų | 84.8 | 53% | 0.528 | 44% | 0.435 | S | S | . | . | trans | -95.6 | -24.8 | -176.7 | -62.8 | -177.4 | 0 | 0 | 0 | 113.7 | ||||
| 259 | Y | 62.2 | Low | 74.1 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 22% | 0.22 | 43% | 0.434 | C | S | . | . | trans | -115 | 94.6 | -169.1 | -47.5 | -71.7 | 0 | 0 | 0 | 112.8 | E168 A264 K265 R268 | E168-Y259 WeakPolarHBondContact OE1-CB 3.35Å; Y259-A264 HydrophobicContact CD1-CB 4.26Å; Y259-K265 WeakPolarHBondContact O-CE 3.21Å; Y259-R268 HydrophobicContact CE1-CB 4.49Å; Y259-R268 HydrophobicContact CE2-CG 4.32Å | ||
| 260 | G | 66.8 | Low | 74.7 | Confident | 76 Ų | 76 | 87.8 Ų | 87.8 | 78% | 0.784 | 45% | 0.452 | S | S | * | . | trans | -72.4 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 261 | D | 83.9 | Confident | 75.6 | Confident | 119 Ų | 119 | 81.6 Ų | 81.6 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -93.4 | 138.5 | -172.5 | -71.5 | -24.4 | 0 | 0 | 0 | 113.3 | W263 A264 K265 | D261-W263 PolarHBondContact O-N 3.01Å; D261-A264 HydrophobicContact CB-CB 4.37Å; D261-A264 WeakPolarHBondContact O-CB 3.15Å; D261-A264 PolarHBondContact O-N 3.41Å; D261-K265 PolarHBondContact O-N 2.95Å; D261-K265 VanDerWaalsContact O-N 3.14Å |
| 262 | M | 83.4 | Confident | 76.4 | Confident | 129 Ų | 129 | 79.3 Ų | 79.3 | 64% | 0.635 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -55.6 | -34.9 | 174.9 | -172.3 | 64.5 | 71.9 | 0 | 0 | 112.3 | F161 K265 L266 | F161-M262 HydrophobicContact CE2-SD 4.47Å; F161-M262 HydrophobicContact CZ-SD 4.49Å; M262-K265 PolarHBondContact O-N 3.47Å; M262-L266 PolarHBondContact O-N 2.98Å |
| 263 | W | 86.1 | Confident | 77.3 | Confident | 170 Ų | 170 | 83.6 Ų | 83.6 | 64% | 0.644 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66 | -42 | 177.1 | -174 | -107.2 | 0 | 0 | 0 | 112.5 | D261 K265 L266 Q267 | D261-W263 PolarHBondContact O-N 3.01Å; W263-K265 VanDerWaalsContact C-N 3.31Å; W263-K265 PolarHBondContact O-N 2.88Å; W263-L266 HydrophobicContact CE3-CD2 4.26Å; W263-L266 HydrophobicContact CZ3-CD2 4.08Å; W263-L266 PolarHBondContact O-N 3.25Å; W263-Q267 WeakPolarHBondContact O-CG 3.08Å; W263-Q267 PolarHBondContact O-N 3.26Å |
| 264 | A | 84.6 | Confident | 78.3 | Confident | 30 Ų | 30 | 78.9 Ų | 78.9 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y259 D261 Q267 R268 | Y259-A264 HydrophobicContact CD1-CB 4.26Å; D261-A264 HydrophobicContact CB-CB 4.37Å; D261-A264 WeakPolarHBondContact O-CB 3.15Å; D261-A264 PolarHBondContact O-N 3.41Å; A264-Q267 PolarHBondContact O-N 3.2Å; A264-R268 PolarHBondContact O-N 3.35Å |
| 265 | K | 86.2 | Confident | 78.9 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 13% | 0.13 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 173.4 | -62.4 | -177.3 | -164.3 | -160.4 | 0 | 111.7 | V164 I165 E168 Y259 D261 M262 W263 R268 A269 | V164-K265 HydrophobicContact CG1-CB 3.96Å; V164-K265 HydrophobicContact CG1-CG 4.14Å; I165-K265 HydrophobicContact CD1-CD 4.23Å; E168-K265 VanDerWaalsContact CD-NZ 3.29Å; E168-K265 WeakPolarHBondContact OE1-CE 3.24Å; E168-K265 IonicContact OE1-NZ 2.65Å; E168-K265 PolarHBondContact OE1-NZ 3.39Å; E168-K265 VanDerWaalsContact OE1-NZ 3.13Å; E168-K265 WeakPolarHBondContact OE2-CE 3.38Å; E168-K265 IonicContact OE2-NZ 2.73Å; E168-K265 PolarHBondContact OE2-NZ 3.4Å; Y259-K265 WeakPolarHBondContact O-CE 3.21Å; D261-K265 PolarHBondContact O-N 2.95Å; D261-K265 VanDerWaalsContact O-N 3.14Å; M262-K265 PolarHBondContact O-N 3.47Å; W263-K265 VanDerWaalsContact C-N 3.31Å; W263-K265 PolarHBondContact O-N 2.88Å; K265-R268 PolarHBondContact O-N 2.88Å; K265-A269 WeakPolarHBondContact O-CB 3.2Å; K265-A269 PolarHBondContact O-N 3.42Å |
| 266 | L | 88 | Confident | 79.9 | Confident | 82 Ų | 82 | 81.4 Ų | 81.4 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.2 | -172.3 | 66.1 | 0 | 0 | 0 | 111.5 | M262 W263 R268 A269 V270 | M262-L266 PolarHBondContact O-N 2.98Å; W263-L266 HydrophobicContact CE3-CD2 4.26Å; W263-L266 HydrophobicContact CZ3-CD2 4.08Å; W263-L266 PolarHBondContact O-N 3.25Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.38Å; L266-A269 PolarHBondContact O-N 2.71Å; L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 2.86Å |
| 267 | Q | 87.4 | Confident | 80.9 | Confident | 112 Ų | 112 | 81.1 Ų | 81.1 | 52% | 0.523 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 175.6 | -74.2 | -176.9 | -35.5 | 0 | 0 | 111.9 | W263 A264 V270 A271 | W263-Q267 WeakPolarHBondContact O-CG 3.08Å; W263-Q267 PolarHBondContact O-N 3.26Å; A264-Q267 PolarHBondContact O-N 3.2Å; Q267-V270 PolarHBondContact O-N 2.95Å; Q267-A271 PolarHBondContact O-N 3.36Å |
| 268 | R | 85.1 | Confident | 82.1 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 175.4 | -172.9 | 62.3 | 176.8 | -178.9 | 1.7 | 111.8 | V164 Y259 A264 K265 L266 V270 A271 I272 | V164-R268 HydrophobicContact CG2-CB 4.26Å; V164-R268 HydrophobicContact CG2-CG 4.06Å; Y259-R268 HydrophobicContact CE1-CB 4.49Å; Y259-R268 HydrophobicContact CE2-CG 4.32Å; A264-R268 PolarHBondContact O-N 3.35Å; K265-R268 PolarHBondContact O-N 2.88Å; L266-R268 VanDerWaalsContact C-N 3.33Å; L266-R268 PolarHBondContact O-N 3.38Å; R268-V270 VanDerWaalsContact C-N 3.31Å; R268-V270 PolarHBondContact O-N 3.15Å; R268-A271 WeakPolarHBondContact O-CB 3.24Å; R268-A271 PolarHBondContact O-N 2.61Å; R268-A271 VanDerWaalsContact O-N 3.17Å; R268-I272 HydrophobicContact CG-CD1 4.1Å; R268-I272 WeakPolarHBondContact O-CG1 3.22Å; R268-I272 PolarHBondContact O-N 3.4Å |
| 269 | A | 87.6 | Confident | 83.1 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S160 F161 V164 K265 L266 I272 W273 | S160-A269 WeakPolarHBondContact CB-O 3.33Å; F161-A269 HydrophobicContact CB-CB 4.24Å; F161-A269 HydrophobicContact CD2-CB 4.39Å; V164-A269 HydrophobicContact CG2-CB 4.08Å; K265-A269 WeakPolarHBondContact O-CB 3.2Å; K265-A269 PolarHBondContact O-N 3.42Å; L266-A269 PolarHBondContact O-N 2.71Å; A269-I272 PolarHBondContact O-N 3.25Å; A269-W273 VanDerWaalsContact O-CB 3.28Å; A269-W273 WeakPolarHBondContact O-CB 3.22Å; A269-W273 PolarHBondContact O-N 2.86Å |
| 270 | V | 89.1 | Confident | 83.6 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L266 Q267 R268 W273 S274 | L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 2.86Å; Q267-V270 PolarHBondContact O-N 2.95Å; R268-V270 VanDerWaalsContact C-N 3.31Å; R268-V270 PolarHBondContact O-N 3.15Å; V270-W273 PolarHBondContact O-N 2.69Å; V270-S274 WeakPolarHBondContact O-CB 3.48Å; V270-S274 PolarHBondContact O-N 3.34Å; V270-S274 PolarHBondContact O-OG 3.1Å |
| 271 | A | 87.1 | Confident | 83.7 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 34% | 0.339 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q267 R268 W273 S274 G275 | Q267-A271 PolarHBondContact O-N 3.36Å; R268-A271 WeakPolarHBondContact O-CB 3.24Å; R268-A271 PolarHBondContact O-N 2.61Å; R268-A271 VanDerWaalsContact O-N 3.17Å; A271-W273 VanDerWaalsContact C-N 3.33Å; A271-S274 PolarHBondContact O-OG 3.45Å; A271-S274 VanDerWaalsContact O-OG 3.05Å; A271-G275 PolarHBondContact O-N 3.07Å; A271-G275 VanDerWaalsContact O-N 3.16Å |
| 272 | I | 86.7 | Confident | 82.8 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.4 | -67.2 | 161.4 | 0 | 0 | 0 | 109.9 | V164 R268 A269 G275 F276 G277 V283 T285 | V164-I272 HydrophobicContact CG2-CD1 3.49Å; V164-I272 VanDerWaalsContact CG2-CD1 3.49Å; R268-I272 HydrophobicContact CG-CD1 4.1Å; R268-I272 WeakPolarHBondContact O-CG1 3.22Å; R268-I272 PolarHBondContact O-N 3.4Å; A269-I272 PolarHBondContact O-N 3.25Å; I272-G275 CarbonylContact O-C 3.59Å; I272-G275 PolarHBondContact O-N 3.09Å; I272-F276 PolarHBondContact O-N 2.9Å; I272-G277 PolarHBondContact O-N 2.96Å; I272-V283 HydrophobicContact CB-CG1 4.2Å; I272-V283 HydrophobicContact CG1-CG1 3.62Å; I272-V283 HydrophobicContact CG2-CG1 4.19Å; I272-T285 HydrophobicContact CD1-CG2 3.71Å; I272-T285 HydrophobicContact CG1-CG2 4.11Å |
| 273 | W | 88.6 | Confident | 82.4 | Confident | 106 Ų | 106 | 63 Ų | 63 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | -179.1 | -177.5 | 22 | 0 | 0 | 0 | 112.2 | V153 S160 A269 V270 A271 G275 F276 | V153-W273 HydrophobicContact CG1-CH2 4.4Å; V153-W273 HydrophobicContact CG1-CZ2 3.7Å; S160-W273 WeakPolarHBondContact OG-CA 3.3Å; S160-W273 WeakPolarHBondContact OG-CB 3.28Å; A269-W273 VanDerWaalsContact O-CB 3.28Å; A269-W273 WeakPolarHBondContact O-CB 3.22Å; A269-W273 PolarHBondContact O-N 2.86Å; V270-W273 PolarHBondContact O-N 2.69Å; A271-W273 VanDerWaalsContact C-N 3.33Å; W273-G275 VanDerWaalsContact C-N 3.29Å; W273-G275 PolarHBondContact O-N 3.31Å; W273-F276 PolarHBondContact O-N 3.43Å; W273-F276 VanDerWaalsContact O-N 3.11Å |
| 274 | S | 86.4 | Confident | 81.8 | Confident | 88 Ų | 88 | 61 Ų | 61 | 62% | 0.615 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68 | -28.3 | 177.7 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | V270 A271 F276 | V270-S274 WeakPolarHBondContact O-CB 3.48Å; V270-S274 PolarHBondContact O-N 3.34Å; V270-S274 PolarHBondContact O-OG 3.1Å; A271-S274 PolarHBondContact O-OG 3.45Å; A271-S274 VanDerWaalsContact O-OG 3.05Å; S274-F276 VanDerWaalsContact C-N 3.29Å |
| 275 | G | 83.4 | Confident | 81.3 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | A271 I272 W273 G277 M278 T281 | A271-G275 PolarHBondContact O-N 3.07Å; A271-G275 VanDerWaalsContact O-N 3.16Å; I272-G275 CarbonylContact O-C 3.59Å; I272-G275 PolarHBondContact O-N 3.09Å; W273-G275 VanDerWaalsContact C-N 3.29Å; W273-G275 PolarHBondContact O-N 3.31Å; G275-G277 PolarHBondContact O-N 3.06Å; G275-M278 PolarHBondContact O-N 3.26Å; G275-M278 VanDerWaalsContact O-N 3.09Å; G275-T281 WeakPolarHBondContact CA-OG1 3.17Å; G275-T281 PolarHBondContact O-OG1 3.11Å |
| 276 | F | 82.9 | Confident | 80.9 | Confident | 163 Ų | 163 | 59.6 Ų | 59.6 | 72% | 0.715 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 24 | -172.1 | -61.5 | -82.4 | 0 | 0 | 0 | 114.2 | I272 W273 S274 M278 | I272-F276 PolarHBondContact O-N 2.9Å; W273-F276 PolarHBondContact O-N 3.43Å; W273-F276 VanDerWaalsContact O-N 3.11Å; S274-F276 VanDerWaalsContact C-N 3.29Å; F276-M278 HydrophobicContact CB-CE 4.29Å; F276-M278 HydrophobicContact CB-CG 4.45Å; F276-M278 PolarHBondContact O-N 3.04Å |
| 277 | G | 78.1 | Confident | 80.2 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 17.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I272 G275 | I272-G277 PolarHBondContact O-N 2.96Å; G275-G277 PolarHBondContact O-N 3.06Å |
| 278 | M | 83.2 | Confident | 79.9 | Confident | 48 Ų | 48 | 51 Ų | 51 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | trans | -85.6 | 134.1 | 179.4 | -62.8 | -175.3 | -63 | 0 | 0 | 111.6 | V202 G275 F276 L280 T281 | V202-M278 HydrophobicContact CG2-SD 4.19Å; G275-M278 PolarHBondContact O-N 3.26Å; G275-M278 VanDerWaalsContact O-N 3.09Å; F276-M278 HydrophobicContact CB-CE 4.29Å; F276-M278 HydrophobicContact CB-CG 4.45Å; F276-M278 PolarHBondContact O-N 3.04Å; M278-L280 VanDerWaalsContact C-N 3.26Å; M278-L280 PolarHBondContact O-N 2.92Å; M278-T281 HydrophobicContact CB-CG2 4.34Å; M278-T281 HydrophobicContact CE-CG2 4.01Å; M278-T281 PolarHBondContact O-N 3.34Å; M278-T281 VanDerWaalsContact O-N 3.07Å; M278-T281 PolarHBondContact O-OG1 3.32Å | ||
| 279 | S | 77.4 | Confident | 79.8 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -64.2 | -28.7 | 172.9 | 68 | 0 | 0 | 0 | 0 | 113 | F194 E198 T281 G282 V283 | F194-S279 WeakPolarHBondContact CD1-OG 3.43Å; F194-S279 VanDerWaalsContact CE1-OG 3.3Å; F194-S279 WeakPolarHBondContact CE1-OG 3.39Å; E198-S279 WeakPolarHBondContact OE1-CA 3.44Å; E198-S279 VanDerWaalsContact OE1-CB 3.28Å; E198-S279 WeakPolarHBondContact OE1-CB 3.35Å; E198-S279 PolarHBondContact OE1-N 2.99Å; E198-S279 PolarHBondContact OE1-OG 3.18Å; E198-S279 PolarHBondContact OE2-N 2.95Å; E198-S279 PolarHBondContact OE2-OG 3.34Å; S279-T281 PolarHBondContact O-N 3.26Å; S279-T281 VanDerWaalsContact O-N 3.1Å; S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 3.16Å; S279-V283 WeakPolarHBondContact CA-O 3.18Å |
| 280 | L | 73.2 | Confident | 79.6 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 56% | 0.555 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -55.9 | -24.2 | 170.6 | -81.6 | 163.6 | 0 | 0 | 0 | 113.1 | E198 M278 G282 | E198-L280 HydrophobicContact CB-CD1 3.63Å; E198-L280 HydrophobicContact CB-CG 4.38Å; E198-L280 VanDerWaalsContact OE2-CB 3.26Å; E198-L280 WeakPolarHBondContact OE2-CB 3.41Å; E198-L280 VanDerWaalsContact OE2-CD1 3.28Å; E198-L280 WeakPolarHBondContact OE2-CD1 3.45Å; E198-L280 WeakPolarHBondContact OE2-CG 3.46Å; E198-L280 PolarHBondContact OE2-N 3.11Å; M278-L280 VanDerWaalsContact C-N 3.26Å; M278-L280 PolarHBondContact O-N 2.92Å; L280-G282 VanDerWaalsContact C-N 3.3Å |
| 281 | T | 68.4 | Low | 79.2 | Confident | 70 Ų | 70 | 47.1 Ų | 47.1 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -90.8 | 8.4 | 176 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | G275 M278 S279 V283 | G275-T281 WeakPolarHBondContact CA-OG1 3.17Å; G275-T281 PolarHBondContact O-OG1 3.11Å; M278-T281 HydrophobicContact CB-CG2 4.34Å; M278-T281 HydrophobicContact CE-CG2 4.01Å; M278-T281 PolarHBondContact O-N 3.34Å; M278-T281 VanDerWaalsContact O-N 3.07Å; M278-T281 PolarHBondContact O-OG1 3.32Å; S279-T281 PolarHBondContact O-N 3.26Å; S279-T281 VanDerWaalsContact O-N 3.1Å; T281-V283 VanDerWaalsContact C-N 3.34Å |
| 282 | G | 66.6 | Low | 79.3 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 12.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S279 L280 H284 | S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 3.16Å; L280-G282 VanDerWaalsContact C-N 3.3Å; G282-H284 PolarHBondContact O-N 3.43Å |
| 283 | V | 74.1 | Confident | 79.6 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | trans | -92.2 | 102.4 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | I272 S279 T281 T285 | I272-V283 HydrophobicContact CB-CG1 4.2Å; I272-V283 HydrophobicContact CG1-CG1 3.62Å; I272-V283 HydrophobicContact CG2-CG1 4.19Å; S279-V283 WeakPolarHBondContact CA-O 3.18Å; T281-V283 VanDerWaalsContact C-N 3.34Å; V283-T285 HydrophobicContact CG1-CG2 4.06Å | ||
| 284 | H | 72.9 | Confident | 79.8 | Confident | 126 Ų | 126 | 42 Ų | 42 | 58% | 0.583 | 24% | 0.241 | S | C | * | . | trans | -102.5 | 120.4 | 166.5 | -63.9 | -75.2 | 0 | 0 | 0 | 109.1 | G282 | G282-H284 PolarHBondContact O-N 3.43Š| ||
| 285 | T | 74.5 | Confident | 80.3 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | trans | -117.3 | 151.8 | 173.5 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | M163 I272 V283 | M163-T285 WeakPolarHBondContact CE-OG1 3.46Å; I272-T285 HydrophobicContact CD1-CG2 3.71Å; I272-T285 HydrophobicContact CG1-CG2 4.11Å; V283-T285 HydrophobicContact CG1-CG2 4.06Å | ||
| 286 | C | 77.3 | Confident | 80.9 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | trans | -125.1 | 154.5 | 174.9 | -50.2 | 0 | 0 | 0 | 0 | 109.5 | H167 V170 C254 Y289 | H167-C286 WeakPolarHBondContact CA-O 3.47Å; H167-C286 WeakPolarHBondContact CB-O 3.47Å; H167-C286 VanDerWaalsContact ND1-CB 3.28Å; H167-C286 WeakPolarHBondContact ND1-CB 3.31Å; H167-C286 PolarHBondContact ND1-N 2.87Å; H167-C286 PolarHBondContact ND1-O 3.04Å; V170-C286 HydrophobicContact CG2-CB 4.28Å; C254-C286 HydrophobicContact CB-CB 3.7Å; C254-C286 WeakPolarHBondContact CB-SG 3.33Å; C254-C286 WeakPolarHBondContact SG-CB 3.21Å; C254-C286 CovalentContact SG-SG 2.01Å; C254-C286 PolarHBondContact SG-SG 3.43Å; C286-Y289 WeakPolarHBondContact CB-OH 3.44Å | ||
| 287 | G | 73.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 98 | -2.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V166 Y289 | V166-G287 WeakPolarHBondContact CG1-O 3.19Å; G287-Y289 PolarHBondContact O-N 3.46Å |
| 288 | D | 81.9 | Confident | 82.4 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | trans | -90.3 | 33.1 | 179.6 | 72.1 | -59.4 | 0 | 0 | 0 | 113.7 | M163 R236 M240 M290 H337 | M163-D288 HydrophobicContact CE-CB 3.37Å; M163-D288 WeakPolarHBondContact CE-OD2 3.43Å; M163-D288 HydrophobicContact SD-CB 3.27Å; M163-D288 WeakPolarHBondContact SD-CB 3.3Å; R236-D288 IonicContact CZ-OD2 2.81Å; R236-D288 PolarHBondContact NH2-O 3.4Å; R236-D288 IonicContact NH2-OD2 3.13Å; R236-D288 PolarHBondContact NH2-OD2 3.42Å; M240-D288 HydrophobicContact SD-CB 3.66Å; D288-M290 VanDerWaalsContact C-N 3.29Å; D288-M290 PolarHBondContact O-N 3.37Å; D288-H337 IonicContact OD2-CE1 2.83Å | ||
| 289 | Y | 82.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | trans | -86.7 | 6.1 | -173.1 | -44.8 | -58.6 | 0 | 0 | 0 | 114.2 | V247 P248 C286 G287 E336 D341 | V247-Y289 HydrophobicContact CB-CE2 4.2Å; V247-Y289 HydrophobicContact CG2-CE2 3.97Å; P248-Y289 VanDerWaalsContact CD-CZ 3.43Å; P248-Y289 HydrophobicContact CG-CD1 3.96Å; P248-Y289 HydrophobicContact CG-CE1 3.87Å; C286-Y289 WeakPolarHBondContact CB-OH 3.44Å; G287-Y289 PolarHBondContact O-N 3.46Å; Y289-E336 WeakPolarHBondContact CD1-O 3.41Å; Y289-E336 WeakPolarHBondContact CE1-O 2.86Å; Y289-D341 WeakPolarHBondContact CA-OD2 3.43Å; Y289-D341 WeakPolarHBondContact O-CB 3.44Å | ||
| 290 | M | 82.9 | Confident | 84 | Confident | 67 Ų | 67 | 27.8 Ų | 27.8 | 33% | 0.33 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -115.2 | 108 | 171.8 | -170.2 | 172.5 | -171.7 | 0 | 0 | 108.5 | M240 L245 D288 | M240-M290 WeakPolarHBondContact CG-O 3.4Å; L245-M290 HydrophobicContact CD1-CB 4.18Å; D288-M290 VanDerWaalsContact C-N 3.29Å; D288-M290 PolarHBondContact O-N 3.37Å |
| 291 | F | 80.8 | Confident | 85.2 | Confident | 8 Ų | 8 | 22.8 Ų | 22.8 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 73.9 | 99.6 | -173.4 | -162 | -101 | 0 | 0 | 0 | 114.8 | V232 R236 G293 V296 D341 I344 A345 I348 | V232-F291 HydrophobicContact CG1-CE1 3.42Å; V232-F291 VanDerWaalsContact CG1-CE1 3.42Å; V232-F291 HydrophobicContact CG1-CZ 3.47Å; V232-F291 VanDerWaalsContact CG1-CZ 3.47Å; R236-F291 HydrophobicContact CB-CD1 3.46Å; R236-F291 VanDerWaalsContact CB-CD1 3.46Å; R236-F291 HydrophobicContact CB-CE1 4Å; R236-F291 HydrophobicContact CB-CG 4.42Å; R236-F291 WeakPolarHBondContact CD-O 3.48Å; R236-F291 HydrophobicContact CG-CB 4.15Å; R236-F291 HydrophobicContact CG-CD1 3.58Å; R236-F291 HydrophobicContact CG-CE1 4.5Å; R236-F291 HydrophobicContact CG-CG 4.34Å; R236-F291 VanDerWaalsContact CZ-O 3.29Å; R236-F291 PolarHBondContact NE-O 3.12Å; R236-F291 PolarHBondContact NH2-O 3.05Å; F291-G293 PolarHBondContact O-N 3.37Å; F291-V296 HydrophobicContact CD1-CG2 4.13Å; F291-V296 HydrophobicContact CE1-CG2 3.42Å; F291-V296 VanDerWaalsContact CE1-CG2 3.42Å; F291-V296 HydrophobicContact CE2-CG2 4.46Å; F291-V296 HydrophobicContact CZ-CG2 3.6Å; F291-D341 WeakPolarHBondContact CA-OD1 3.05Å; F291-D341 PolarHBondContact N-OD1 3.21Å; F291-I344 HydrophobicContact CD2-CG2 4.07Å; F291-I344 HydrophobicContact CE2-CG2 4.48Å; F291-A345 HydrophobicContact CD2-CB 4.36Å; F291-A345 HydrophobicContact CE2-CB 4.33Å; F291-I348 HydrophobicContact CD2-CD1 4.1Å; F291-I348 HydrophobicContact CE2-CB 3.71Å; F291-I348 HydrophobicContact CE2-CD1 3.65Å; F291-I348 HydrophobicContact CE2-CG1 4.12Å; F291-I348 HydrophobicContact CE2-CG2 3.86Å; F291-I348 HydrophobicContact CZ-CB 4.15Å; F291-I348 HydrophobicContact CZ-CG2 3.87Å |
| 292 | S | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -77.3 | 115.1 | -170.7 | 175 | 0 | 0 | 0 | 0 | 112.3 | H294 T295 V296 D341 | S292-H294 PolarHBondContact O-N 3.4Å; S292-T295 PolarHBondContact O-N 3.48Å; S292-T295 PolarHBondContact OG-OG1 3.24Å; S292-T295 VanDerWaalsContact OG-OG1 3.12Å; S292-V296 WeakPolarHBondContact O-CG2 3.34Å; S292-V296 PolarHBondContact O-N 2.85Å; S292-V296 VanDerWaalsContact O-N 3.08Å; S292-D341 PolarHBondContact N-OD1 2.68Å | ||
| 293 | G | 91.9 | Very high | 88 | Confident | 3 Ų | 3 | 18 Ų | 18 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | R236 F291 T295 V296 V297 | R236-G293 VanDerWaalsContact NH1-CA 3.27Å; F291-G293 PolarHBondContact O-N 3.37Å; G293-T295 VanDerWaalsContact C-N 3.34Å; G293-T295 PolarHBondContact O-N 3.46Å; G293-V296 WeakPolarHBondContact O-CB 3.48Å; G293-V296 PolarHBondContact O-N 2.93Å; G293-V297 WeakPolarHBondContact O-CG2 3.47Å; G293-V297 PolarHBondContact O-N 2.99Å |
| 294 | H | 93.5 | Very high | 89.1 | Confident | 40 Ų | 40 | 17.3 Ų | 17.3 | 19% | 0.185 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.8 | -68.6 | 97.2 | 0 | 0 | 0 | 111.1 | F194 E198 S292 V296 V297 L298 I331 | F194-H294 AromaticContact CZ-CE1 3.63Å; F194-H294 AromaticContact CZ-ND1 3.79Å; E198-H294 IonicContact OE1-NE2 3.63Å; S292-H294 PolarHBondContact O-N 3.4Å; H294-V296 PolarHBondContact O-N 2.96Å; H294-V297 PolarHBondContact O-N 2.95Å; H294-L298 WeakPolarHBondContact O-CB 3.23Å; H294-L298 VanDerWaalsContact O-CG 3.32Å; H294-L298 WeakPolarHBondContact O-CG 3.25Å; H294-L298 PolarHBondContact O-N 3.37Å; H294-I331 HydrophobicContact CB-CD1 3.61Å; H294-I331 HydrophobicContact CB-CG1 4.32Å |
| 295 | T | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.9 | -57 | 0 | 0 | 0 | 0 | 111.6 | S292 G293 T299 I328 V342 A345 F346 | S292-T295 PolarHBondContact O-N 3.48Å; S292-T295 PolarHBondContact OG-OG1 3.24Å; S292-T295 VanDerWaalsContact OG-OG1 3.12Å; G293-T295 VanDerWaalsContact C-N 3.34Å; G293-T295 PolarHBondContact O-N 3.46Å; T295-T299 VanDerWaalsContact O-CB 3.23Å; T295-T299 WeakPolarHBondContact O-CB 3.4Å; T295-T299 PolarHBondContact O-N 3Å; T295-T299 PolarHBondContact O-OG1 3.2Å; T295-I328 HydrophobicContact CG2-CD1 4.33Å; T295-I328 HydrophobicContact CG2-CG1 4.16Å; T295-V342 HydrophobicContact CG2-CG1 4.05Å; T295-A345 HydrophobicContact CG2-CB 3.82Å; T295-F346 HydrophobicContact CG2-CB 4.25Å |
| 296 | V | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.6 | -50.6 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | M229 V232 F233 F291 S292 G293 H294 T299 M300 A345 | M229-V296 HydrophobicContact SD-CG1 4.19Å; V232-V296 HydrophobicContact CB-CG1 4.28Å; V232-V296 HydrophobicContact CG1-CB 4.33Å; V232-V296 HydrophobicContact CG1-CG1 3.45Å; V232-V296 VanDerWaalsContact CG1-CG1 3.45Å; V232-V296 HydrophobicContact CG1-CG2 3.84Å; F233-V296 HydrophobicContact CD2-CG1 4.27Å; F233-V296 HydrophobicContact CE2-CB 4.36Å; F233-V296 HydrophobicContact CE2-CG1 3.77Å; F291-V296 HydrophobicContact CD1-CG2 4.13Å; F291-V296 HydrophobicContact CE1-CG2 3.42Å; F291-V296 VanDerWaalsContact CE1-CG2 3.42Å; F291-V296 HydrophobicContact CE2-CG2 4.46Å; F291-V296 HydrophobicContact CZ-CG2 3.6Å; S292-V296 WeakPolarHBondContact O-CG2 3.34Å; S292-V296 PolarHBondContact O-N 2.85Å; S292-V296 VanDerWaalsContact O-N 3.08Å; G293-V296 WeakPolarHBondContact O-CB 3.48Å; G293-V296 PolarHBondContact O-N 2.93Å; H294-V296 PolarHBondContact O-N 2.96Å; V296-T299 PolarHBondContact O-N 3.06Å; V296-M300 WeakPolarHBondContact O-CB 3.39Å; V296-M300 PolarHBondContact O-N 3.29Å; V296-A345 HydrophobicContact CG2-CB 4.11Å |
| 297 | V | 96.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 15.2 Ų | 15.2 | 29% | 0.285 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -64.5 | -47.6 | -176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | M229 F233 G293 H294 T299 M300 L301 | M229-V297 HydrophobicContact CE-CG2 4.22Å; M229-V297 HydrophobicContact SD-CG2 4.26Å; F233-V297 HydrophobicContact CE2-CG2 3.94Å; F233-V297 HydrophobicContact CZ-CG2 3.81Å; G293-V297 WeakPolarHBondContact O-CG2 3.47Å; G293-V297 PolarHBondContact O-N 2.99Å; H294-V297 PolarHBondContact O-N 2.95Å; V297-T299 PolarHBondContact O-N 3.16Å; V297-M300 PolarHBondContact O-N 3.38Å; V297-L301 HydrophobicContact CG1-CD1 3.64Å; V297-L301 HydrophobicContact CG1-CG 4.31Å; V297-L301 VanDerWaalsContact O-CB 3.31Å; V297-L301 WeakPolarHBondContact O-CB 3.34Å; V297-L301 WeakPolarHBondContact O-CG 3.24Å; V297-L301 PolarHBondContact O-N 3.38Å |
| 298 | L | 96.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56 | -51.5 | 176.2 | -75.3 | 168.4 | 0 | 0 | 0 | 111.7 | C200 G201 L204 H294 L301 N302 N324 I331 | C200-L298 HydrophobicContact CB-CD2 4.23Å; G201-L298 VanDerWaalsContact CA-CD2 3.47Å; L204-L298 HydrophobicContact CD1-CD2 3.77Å; H294-L298 WeakPolarHBondContact O-CB 3.23Å; H294-L298 VanDerWaalsContact O-CG 3.32Å; H294-L298 WeakPolarHBondContact O-CG 3.25Å; H294-L298 PolarHBondContact O-N 3.37Å; L298-L301 PolarHBondContact O-N 3.03Å; L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 3.36Å; L298-N324 VanDerWaalsContact C-OD1 3.29Å; L298-N324 PolarHBondContact O-OD1 3Å; L298-I331 HydrophobicContact CD1-CD1 3.75Å |
| 299 | T | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.9 | -43.8 | -176.1 | -56.4 | 0 | 0 | 0 | 0 | 111 | T295 V296 V297 N302 F303 N324 F346 T349 | T295-T299 VanDerWaalsContact O-CB 3.23Å; T295-T299 WeakPolarHBondContact O-CB 3.4Å; T295-T299 PolarHBondContact O-N 3Å; T295-T299 PolarHBondContact O-OG1 3.2Å; V296-T299 PolarHBondContact O-N 3.06Å; V297-T299 PolarHBondContact O-N 3.16Å; T299-N302 PolarHBondContact O-N 3.43Å; T299-F303 HydrophobicContact CG2-CD2 3.98Å; T299-F303 HydrophobicContact CG2-CE1 4.25Å; T299-F303 HydrophobicContact CG2-CE2 3.35Å; T299-F303 HydrophobicContact CG2-CZ 3.53Å; T299-F303 WeakPolarHBondContact O-CG 3.49Å; T299-F303 PolarHBondContact O-N 3.4Å; T299-N324 VanDerWaalsContact CA-OD1 3.28Å; T299-N324 WeakPolarHBondContact CA-OD1 3.43Å; T299-N324 PolarHBondContact N-OD1 3.32Å; T299-N324 PolarHBondContact OG1-OD1 2.91Å; T299-F346 HydrophobicContact CG2-CD2 3.73Å; T299-F346 HydrophobicContact CG2-CE2 3.92Å; T299-T349 HydrophobicContact CG2-CG2 3.87Å |
| 300 | M | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 178.7 | -168.8 | 69.4 | 82.7 | 0 | 0 | 110.8 | L228 M229 V232 V296 V297 N302 F303 F304 T349 F353 | L228-M300 HydrophobicContact CB-CE 3.9Å; L228-M300 HydrophobicContact CB-SD 4.18Å; L228-M300 HydrophobicContact CD1-SD 4.46Å; M229-M300 HydrophobicContact CE-CB 3.94Å; M229-M300 HydrophobicContact CE-CG 3.79Å; V232-M300 HydrophobicContact CG2-CE 3.83Å; V296-M300 WeakPolarHBondContact O-CB 3.39Å; V296-M300 PolarHBondContact O-N 3.29Å; V297-M300 PolarHBondContact O-N 3.38Å; M300-N302 PolarHBondContact O-N 3.3Å; M300-F303 PolarHBondContact O-N 3.38Å; M300-F304 HydrophobicContact CG-CD2 3.79Å; M300-F304 HydrophobicContact CG-CE2 3.84Å; M300-F304 WeakPolarHBondContact O-CD2 3.33Å; M300-F304 PolarHBondContact O-N 3.48Å; M300-F304 HydrophobicContact SD-CD2 3.95Å; M300-F304 HydrophobicContact SD-CE2 3.6Å; M300-T349 HydrophobicContact CB-CG2 4.1Å; M300-T349 HydrophobicContact CE-CG2 3.9Å; M300-T349 HydrophobicContact SD-CG2 4.24Å; M300-F353 HydrophobicContact SD-CD2 4.03Å |
| 301 | L | 97.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.8 | -73.4 | 168.7 | 0 | 0 | 0 | 111.6 | L204 C205 W208 M225 V297 L298 F303 F304 V305 | L204-L301 HydrophobicContact CB-CB 4.12Å; L204-L301 HydrophobicContact CB-CD1 4.11Å; C205-L301 HydrophobicContact CB-CD1 3.97Å; W208-L301 HydrophobicContact CB-CD2 3.75Å; W208-L301 HydrophobicContact CG-CD2 3.82Å; M225-L301 HydrophobicContact CE-CD2 3.58Å; V297-L301 HydrophobicContact CG1-CD1 3.64Å; V297-L301 HydrophobicContact CG1-CG 4.31Å; V297-L301 VanDerWaalsContact O-CB 3.31Å; V297-L301 WeakPolarHBondContact O-CB 3.34Å; V297-L301 WeakPolarHBondContact O-CG 3.24Å; V297-L301 PolarHBondContact O-N 3.38Å; L298-L301 PolarHBondContact O-N 3.03Å; L301-F303 PolarHBondContact O-N 3.19Å; L301-F304 PolarHBondContact O-N 3.48Å; L301-V305 WeakPolarHBondContact O-CB 3.43Å; L301-V305 VanDerWaalsContact O-CG2 3.27Å; L301-V305 WeakPolarHBondContact O-CG2 3.35Å; L301-V305 PolarHBondContact O-N 3.12Å |
| 302 | N | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 176.6 | 174.6 | 47 | 0 | 0 | 0 | 112.4 | L298 T299 M300 V305 T306 S320 W321 N324 | L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 3.36Å; T299-N302 PolarHBondContact O-N 3.43Å; M300-N302 PolarHBondContact O-N 3.3Å; N302-V305 PolarHBondContact O-N 3.37Å; N302-T306 WeakPolarHBondContact O-CB 3.38Å; N302-T306 PolarHBondContact O-N 2.97Å; N302-T306 PolarHBondContact O-OG1 3.11Å; N302-S320 WeakPolarHBondContact OD1-CB 3.45Å; N302-S320 PolarHBondContact OD1-O 2.95Å; N302-S320 PolarHBondContact OD1-OG 3.44Å; N302-W321 PolarHBondContact OD1-N 3.16Å; N302-N324 HydrophobicContact CB-CB 3.92Å |
| 303 | F | 97 | Very high | 94.1 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 178.7 | -66.8 | -17.6 | 0 | 0 | 0 | 112.8 | T299 M300 L301 T306 E307 W321 F346 T350 F353 | T299-F303 HydrophobicContact CG2-CD2 3.98Å; T299-F303 HydrophobicContact CG2-CE1 4.25Å; T299-F303 HydrophobicContact CG2-CE2 3.35Å; T299-F303 HydrophobicContact CG2-CZ 3.53Å; T299-F303 WeakPolarHBondContact O-CG 3.49Å; T299-F303 PolarHBondContact O-N 3.4Å; M300-F303 PolarHBondContact O-N 3.38Å; L301-F303 PolarHBondContact O-N 3.19Å; F303-T306 PolarHBondContact O-N 3.49Å; F303-E307 VanDerWaalsContact O-CB 3.31Å; F303-E307 WeakPolarHBondContact O-CB 3.22Å; F303-E307 PolarHBondContact O-N 3.42Å; F303-W321 HydrophobicContact CD1-CH2 4.43Å; F303-W321 HydrophobicContact CD1-CZ2 4.29Å; F303-W321 AromaticContact CE1-CH2 3.59Å; F303-W321 HydrophobicContact CE1-CH2 3.59Å; F303-W321 AromaticContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ3 4.36Å; F303-W321 HydrophobicContact CZ-CH2 4.47Å; F303-F346 HydrophobicContact CZ-CE2 4.38Å; F303-T350 HydrophobicContact CE2-CG2 4.08Å; F303-T350 WeakPolarHBondContact CE2-OG1 3.4Å; F303-T350 HydrophobicContact CZ-CG2 4.09Å; F303-T350 WeakPolarHBondContact CZ-OG1 3.26Å; F303-F353 HydrophobicContact CB-CD1 4.05Å; F303-F353 HydrophobicContact CB-CD2 3.81Å; F303-F353 HydrophobicContact CB-CE1 3.91Å; F303-F353 HydrophobicContact CB-CE2 3.63Å; F303-F353 HydrophobicContact CB-CG 4.02Å; F303-F353 HydrophobicContact CB-CZ 3.69Å; F303-F353 HydrophobicContact CD2-CB 4.03Å; F303-F353 HydrophobicContact CD2-CD1 4.15Å; F303-F353 HydrophobicContact CD2-CD2 4.31Å; F303-F353 AromaticContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CG-CD1 4.35Å; F303-F353 HydrophobicContact CG-CG 4.37Å |
| 304 | F | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.2 | -93.3 | -80.4 | 0 | 0 | 0 | 111.9 | W208 R224 M225 L228 M300 L301 T306 Y308 F353 | W208-F304 HydrophobicContact CD2-CB 4.15Å; W208-F304 HydrophobicContact CE3-CB 3.78Å; W208-F304 HydrophobicContact CH2-CB 3.84Å; W208-F304 AromaticContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CD1 3.44Å; W208-F304 VanDerWaalsContact CH2-CD1 3.44Å; W208-F304 HydrophobicContact CH2-CE1 4.39Å; W208-F304 HydrophobicContact CH2-CG 4.02Å; W208-F304 HydrophobicContact CZ2-CB 4.17Å; W208-F304 AromaticContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CD1 3.72Å; W208-F304 HydrophobicContact CZ2-CE1 4.48Å; W208-F304 HydrophobicContact CZ2-CG 4.17Å; W208-F304 HydrophobicContact CZ3-CB 3.63Å; W208-F304 HydrophobicContact CZ3-CD1 4.09Å; W208-F304 HydrophobicContact CZ3-CG 4.33Å; W208-F304 WeakPolarHBondContact CZ3-O 3.33Å; R224-F304 HydrophobicContact CB-CE1 4.16Å; R224-F304 HydrophobicContact CB-CZ 4.3Å; M225-F304 HydrophobicContact CB-CD1 4.44Å; M225-F304 HydrophobicContact CB-CE1 3.94Å; M225-F304 HydrophobicContact CB-CE2 4.23Å; M225-F304 HydrophobicContact CB-CZ 3.85Å; M225-F304 HydrophobicContact CG-CD2 4.37Å; M225-F304 HydrophobicContact CG-CE2 4.18Å; M225-F304 HydrophobicContact CG-CZ 4.31Å; L228-F304 HydrophobicContact CB-CE2 4.47Å; L228-F304 HydrophobicContact CD1-CE2 3.91Å; L228-F304 HydrophobicContact CD1-CZ 3.72Å; M300-F304 HydrophobicContact CG-CD2 3.79Å; M300-F304 HydrophobicContact CG-CE2 3.84Å; M300-F304 WeakPolarHBondContact O-CD2 3.33Å; M300-F304 PolarHBondContact O-N 3.48Å; M300-F304 HydrophobicContact SD-CD2 3.95Å; M300-F304 HydrophobicContact SD-CE2 3.6Å; L301-F304 PolarHBondContact O-N 3.48Å; F304-T306 PolarHBondContact O-N 2.7Å; F304-Y308 AromaticContact CD1-CD2 3.64Å; F304-Y308 HydrophobicContact CD1-CD2 3.64Å; F304-Y308 AromaticContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CE1-CD2 4.29Å; F304-Y308 AromaticContact CE1-CE2 3.58Å; F304-Y308 HydrophobicContact CE1-CE2 3.58Å; F304-Y308 WeakPolarHBondContact O-CD2 3.46Å; F304-Y308 PolarHBondContact O-N 3.42Å; F304-Y308 VanDerWaalsContact O-N 3.15Å; F304-F353 HydrophobicContact CD2-CD2 4.37Å; F304-F353 AromaticContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CE2-CD2 4.21Å; F304-F353 AromaticContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CG-CE2 4.21Å; F304-F353 HydrophobicContact CZ-CE2 4.33Å |
| 305 | V | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | I207 W208 L301 N302 T309 I316 | I207-V305 HydrophobicContact CG2-CG1 4.06Å; I207-V305 HydrophobicContact CG2-CG2 4.04Å; W208-V305 HydrophobicContact CB-CG2 3.99Å; W208-V305 HydrophobicContact CE3-CG2 4.17Å; L301-V305 WeakPolarHBondContact O-CB 3.43Å; L301-V305 VanDerWaalsContact O-CG2 3.27Å; L301-V305 WeakPolarHBondContact O-CG2 3.35Å; L301-V305 PolarHBondContact O-N 3.12Å; N302-V305 PolarHBondContact O-N 3.37Å; V305-T309 HydrophobicContact CG1-CG2 4.43Å; V305-T309 WeakPolarHBondContact O-CB 3.4Å; V305-T309 VanDerWaalsContact O-CG2 3.23Å; V305-T309 WeakPolarHBondContact O-CG2 3.48Å; V305-T309 PolarHBondContact O-N 2.92Å; V305-T309 PolarHBondContact O-OG1 2.91Å; V305-I316 HydrophobicContact CG1-CG2 3.61Å |
| 306 | T | 94.9 | Very high | 94.2 | Very high | 39 Ų | 39 | 44.1 Ų | 44.1 | 24% | 0.239 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | -176.9 | -53.8 | 0 | 0 | 0 | 0 | 112.9 | N302 F303 F304 | N302-T306 WeakPolarHBondContact O-CB 3.38Å; N302-T306 PolarHBondContact O-N 2.97Å; N302-T306 PolarHBondContact O-OG1 3.11Å; F303-T306 PolarHBondContact O-N 3.49Å; F304-T306 PolarHBondContact O-N 2.7Å |
| 307 | E | 93.6 | Very high | 94.1 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69 | -44.2 | -177.9 | -179.8 | 69.3 | -175.1 | 0 | 0 | 112.2 | F303 F353 H357 N391 | F303-E307 VanDerWaalsContact O-CB 3.31Å; F303-E307 WeakPolarHBondContact O-CB 3.22Å; F303-E307 PolarHBondContact O-N 3.42Å; E307-F353 HydrophobicContact CB-CE1 4.46Å; E307-F353 HydrophobicContact CB-CZ 3.87Å; E307-F353 HydrophobicContact CG-CZ 4.2Å; E307-H357 IonicContact OE1-CD2 3.75Å; E307-N391 PolarHBondContact O-ND2 3.4Å; E307-N391 VanDerWaalsContact O-ND2 3.07Å |
| 308 | Y | 92.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -94.6 | -1 | -170.7 | -69.5 | -69.8 | 0 | 0 | 0 | 114.4 | W208 L221 R224 F304 H357 V389 N391 Y393 | W208-Y308 AromaticContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CD2 3.86Å; W208-Y308 HydrophobicContact CH2-CG 4.43Å; W208-Y308 HydrophobicContact CZ3-CD2 4.04Å; W208-Y308 HydrophobicContact CZ3-CG 4.46Å; L221-Y308 HydrophobicContact CD1-CD1 3.69Å; L221-Y308 HydrophobicContact CD1-CE1 3.59Å; L221-Y308 HydrophobicContact CD1-CG 4.4Å; L221-Y308 HydrophobicContact CD2-CD1 3.73Å; L221-Y308 HydrophobicContact CD2-CD2 4.29Å; L221-Y308 HydrophobicContact CD2-CE1 4.36Å; L221-Y308 HydrophobicContact CD2-CG 3.66Å; L221-Y308 HydrophobicContact CG-CD1 3.55Å; L221-Y308 HydrophobicContact CG-CD2 4.1Å; L221-Y308 HydrophobicContact CG-CE1 3.66Å; L221-Y308 HydrophobicContact CG-CE2 4.22Å; L221-Y308 HydrophobicContact CG-CG 3.76Å; R224-Y308 WeakPolarHBondContact CD-OH 3.27Å; R224-Y308 PolarHBondContact NH1-OH 3.02Å; F304-Y308 AromaticContact CD1-CD2 3.64Å; F304-Y308 HydrophobicContact CD1-CD2 3.64Å; F304-Y308 AromaticContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CD1-CE2 3.4Å; F304-Y308 HydrophobicContact CE1-CD2 4.29Å; F304-Y308 AromaticContact CE1-CE2 3.58Å; F304-Y308 HydrophobicContact CE1-CE2 3.58Å; F304-Y308 WeakPolarHBondContact O-CD2 3.46Å; F304-Y308 PolarHBondContact O-N 3.42Å; F304-Y308 VanDerWaalsContact O-N 3.15Å; Y308-H357 AromaticContact CE2-NE2 3.96Å; Y308-H357 AromaticContact CZ-NE2 3.98Å; Y308-H357 PolarHBondContact OH-NE2 3.48Å; Y308-V389 HydrophobicContact CE1-CB 4.31Å; Y308-N391 PolarHBondContact O-OD1 3.5Å; Y308-Y393 PolarHBondContact O-OH 3.42Å |
| 309 | T | 92.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -98.2 | 150.3 | 173.7 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | V211 V305 W313 H317 N391 Y393 | V211-T309 HydrophobicContact CB-CG2 4.49Å; V211-T309 HydrophobicContact CG1-CG2 4.08Å; V211-T309 HydrophobicContact CG2-CG2 3.52Å; V305-T309 HydrophobicContact CG1-CG2 4.43Å; V305-T309 WeakPolarHBondContact O-CB 3.4Å; V305-T309 VanDerWaalsContact O-CG2 3.23Å; V305-T309 WeakPolarHBondContact O-CG2 3.48Å; V305-T309 PolarHBondContact O-N 2.92Å; V305-T309 PolarHBondContact O-OG1 2.91Å; T309-W313 HydrophobicContact CG2-CE3 4.17Å; T309-W313 HydrophobicContact CG2-CZ3 4.49Å; T309-H317 PolarHBondContact OG1-CD2 3.41Å; T309-H317 PolarHBondContact OG1-NE2 2.87Å; T309-N391 PolarHBondContact O-ND2 3.45Å; T309-Y393 VanDerWaalsContact CA-OH 3.29Å; T309-Y393 WeakPolarHBondContact CA-OH 3.47Å; T309-Y393 WeakPolarHBondContact CG2-OH 3.27Å |
| 310 | P | 89.8 | Confident | 94.1 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | trans | -63.2 | 146.8 | 179.7 | -19.9 | 33.9 | 0 | 0 | 0 | 111.4 | S312 W313 Y393 | P310-S312 PolarHBondContact O-N 3.48Å; P310-W313 HydrophobicContact CG-CD2 4.28Å; P310-W313 PolarHBondContact O-N 2.93Å; P310-Y393 HydrophobicContact CG-CD2 4.16Å; P310-Y393 HydrophobicContact CG-CE2 3.73Å | ||
| 311 | R | 86.8 | Confident | 94.1 | Very high | 227 Ų | 227 | 55.5 Ų | 55.5 | 86% | 0.857 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.4 | 176.9 | -66.4 | -175 | -179.2 | 161.9 | 0.4 | 114.4 | W313 N314 | R311-W313 VanDerWaalsContact C-N 3.32Å; R311-N314 PolarHBondContact O-OD1 3.32Å |
| 312 | S | 88.3 | Confident | 94.1 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 64% | 0.643 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.7 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | P310 N314 | P310-S312 PolarHBondContact O-N 3.48Å; S312-N314 PolarHBondContact O-N 3.49Å |
| 313 | W | 90.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | trans | -86.5 | 50.9 | -176.2 | -68 | 10.1 | 0 | 0 | 0 | 111.8 | T309 P310 R311 F315 I316 H317 Y393 | T309-W313 HydrophobicContact CG2-CE3 4.17Å; T309-W313 HydrophobicContact CG2-CZ3 4.49Å; P310-W313 HydrophobicContact CG-CD2 4.28Å; P310-W313 PolarHBondContact O-N 2.93Å; R311-W313 VanDerWaalsContact C-N 3.32Å; W313-F315 PolarHBondContact O-N 3.48Å; W313-F315 VanDerWaalsContact O-N 3.12Å; W313-I316 HydrophobicContact CB-CB 4.46Å; W313-I316 HydrophobicContact CB-CD1 4.32Å; W313-I316 HydrophobicContact CD2-CD1 4.06Å; W313-I316 HydrophobicContact CE3-CD1 3.4Å; W313-I316 HydrophobicContact CG-CD1 4.48Å; W313-I316 HydrophobicContact CZ3-CD1 3.99Å; W313-I316 PolarHBondContact O-N 3.49Å; W313-H317 PolarHBondContact O-N 3.28Å; W313-Y393 HydrophobicContact CH2-CD1 4.29Å; W313-Y393 HydrophobicContact CH2-CE1 4.19Å; W313-Y393 HydrophobicContact CZ3-CE1 4.18Å | ||
| 314 | N | 92.8 | Very high | 94.1 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -53.1 | -37.9 | -176.4 | -68.5 | -21.3 | 0 | 0 | 0 | 112.6 | R311 S312 I316 H317 T318 | R311-N314 PolarHBondContact O-OD1 3.32Å; S312-N314 PolarHBondContact O-N 3.49Å; N314-I316 VanDerWaalsContact C-N 3.34Å; N314-I316 PolarHBondContact O-N 2.96Å; N314-H317 PolarHBondContact O-N 3.49Å; N314-T318 WeakPolarHBondContact O-CB 3.42Å; N314-T318 PolarHBondContact O-N 3.4Å; N314-T318 PolarHBondContact O-OG1 3.49Å |
| 315 | F | 94.7 | Very high | 94.2 | Very high | 155 Ų | 155 | 64.2 Ų | 64.2 | 68% | 0.68 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.9 | -44 | 178.3 | 177.6 | -100.8 | 0 | 0 | 0 | 112.6 | W313 T318 L319 | W313-F315 PolarHBondContact O-N 3.48Å; W313-F315 VanDerWaalsContact O-N 3.12Å; F315-T318 PolarHBondContact O-N 2.96Å; F315-L319 HydrophobicContact CE1-CD2 4.18Å; F315-L319 HydrophobicContact CZ-CD2 4.44Å; F315-L319 VanDerWaalsContact O-CB 3.23Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 3.42Å |
| 316 | I | 94.6 | Very high | 94.2 | Very high | 43 Ų | 43 | 69.3 Ų | 69.3 | 22% | 0.221 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -40.2 | -179.7 | -70.1 | 169.3 | 0 | 0 | 0 | 110.2 | I207 V305 W313 N314 S320 | I207-I316 HydrophobicContact CG2-CG2 4.15Å; V305-I316 HydrophobicContact CG1-CG2 3.61Å; W313-I316 HydrophobicContact CB-CB 4.46Å; W313-I316 HydrophobicContact CB-CD1 4.32Å; W313-I316 HydrophobicContact CD2-CD1 4.06Å; W313-I316 HydrophobicContact CE3-CD1 3.4Å; W313-I316 HydrophobicContact CG-CD1 4.48Å; W313-I316 HydrophobicContact CZ3-CD1 3.99Å; W313-I316 PolarHBondContact O-N 3.49Å; N314-I316 VanDerWaalsContact C-N 3.34Å; N314-I316 PolarHBondContact O-N 2.96Å; I316-S320 WeakPolarHBondContact O-CB 3.38Å; I316-S320 PolarHBondContact O-N 2.72Å; I316-S320 PolarHBondContact O-OG 3.34Å |
| 317 | H | 95.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 67.5 Ų | 67.5 | 13% | 0.134 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64 | -48.9 | 175.1 | -62.4 | 175.6 | 0 | 0 | 0 | 111.6 | T309 W313 N314 L319 S320 W321 | T309-H317 PolarHBondContact OG1-CD2 3.41Å; T309-H317 PolarHBondContact OG1-NE2 2.87Å; W313-H317 PolarHBondContact O-N 3.28Å; N314-H317 PolarHBondContact O-N 3.49Å; H317-L319 VanDerWaalsContact C-N 3.32Å; H317-L319 PolarHBondContact O-N 3.29Å; H317-S320 PolarHBondContact O-N 2.68Å; H317-S320 PolarHBondContact O-OG 3.34Å; H317-W321 VanDerWaalsContact O-CD1 3.24Å; H317-W321 PolarHBondContact O-N 3.19Å |
| 318 | T | 96.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 65.2 Ų | 65.2 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | N314 F315 S320 W321 V322 | N314-T318 WeakPolarHBondContact O-CB 3.42Å; N314-T318 PolarHBondContact O-N 3.4Å; N314-T318 PolarHBondContact O-OG1 3.49Å; F315-T318 PolarHBondContact O-N 2.96Å; T318-S320 PolarHBondContact O-N 3.48Å; T318-W321 PolarHBondContact O-N 3.35Å; T318-V322 HydrophobicContact CG2-CG2 4.31Å; T318-V322 WeakPolarHBondContact O-CB 3.49Å; T318-V322 WeakPolarHBondContact O-CG2 3.35Å; T318-V322 PolarHBondContact O-N 3.03Å |
| 319 | L | 96.6 | Very high | 94.5 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 29% | 0.293 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.2 | -179.8 | 62.2 | 0 | 0 | 0 | 111.8 | I207 F315 H317 W321 V322 L323 | I207-L319 HydrophobicContact CD1-CD2 3.99Å; F315-L319 HydrophobicContact CE1-CD2 4.18Å; F315-L319 HydrophobicContact CZ-CD2 4.44Å; F315-L319 VanDerWaalsContact O-CB 3.23Å; F315-L319 WeakPolarHBondContact O-CB 3.28Å; F315-L319 PolarHBondContact O-N 3.42Å; H317-L319 VanDerWaalsContact C-N 3.32Å; H317-L319 PolarHBondContact O-N 3.29Å; L319-W321 PolarHBondContact O-N 3.5Å; L319-V322 PolarHBondContact O-N 2.94Å; L319-L323 HydrophobicContact CD1-CD1 4.08Å; L319-L323 HydrophobicContact CD1-CG 4.14Å; L319-L323 HydrophobicContact CG-CD1 3.96Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CB 3.41Å; L319-L323 VanDerWaalsContact O-CG 3.27Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.39Å |
| 320 | S | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | -178.7 | 72 | 0 | 0 | 0 | 0 | 112.3 | N302 I316 H317 T318 L323 N324 | N302-S320 WeakPolarHBondContact OD1-CB 3.45Å; N302-S320 PolarHBondContact OD1-O 2.95Å; N302-S320 PolarHBondContact OD1-OG 3.44Å; I316-S320 WeakPolarHBondContact O-CB 3.38Å; I316-S320 PolarHBondContact O-N 2.72Å; I316-S320 PolarHBondContact O-OG 3.34Å; H317-S320 PolarHBondContact O-N 2.68Å; H317-S320 PolarHBondContact O-OG 3.34Å; T318-S320 PolarHBondContact O-N 3.48Å; S320-L323 PolarHBondContact O-N 3.49Å; S320-N324 WeakPolarHBondContact O-CB 3.45Å; S320-N324 PolarHBondContact O-N 3.26Å |
| 321 | W | 97.2 | Very high | 94.9 | Very high | 117 Ų | 117 | 69.4 Ų | 69.4 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 176.1 | -84.6 | 99.5 | 0 | 0 | 0 | 112.6 | N302 F303 H317 T318 L319 N324 L325 | N302-W321 PolarHBondContact OD1-N 3.16Å; F303-W321 HydrophobicContact CD1-CH2 4.43Å; F303-W321 HydrophobicContact CD1-CZ2 4.29Å; F303-W321 AromaticContact CE1-CH2 3.59Å; F303-W321 HydrophobicContact CE1-CH2 3.59Å; F303-W321 AromaticContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ2 3.87Å; F303-W321 HydrophobicContact CE1-CZ3 4.36Å; F303-W321 HydrophobicContact CZ-CH2 4.47Å; H317-W321 VanDerWaalsContact O-CD1 3.24Å; H317-W321 PolarHBondContact O-N 3.19Å; T318-W321 PolarHBondContact O-N 3.35Å; L319-W321 PolarHBondContact O-N 3.5Å; W321-N324 PolarHBondContact O-N 3.14Å; W321-L325 WeakPolarHBondContact O-CB 3.34Å; W321-L325 PolarHBondContact O-N 3.49Å |
| 322 | V | 97.8 | Very high | 95.2 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 174.5 | 166.3 | 0 | 0 | 0 | 0 | 110.1 | T318 L319 N324 L325 F326 | T318-V322 HydrophobicContact CG2-CG2 4.31Å; T318-V322 WeakPolarHBondContact O-CB 3.49Å; T318-V322 WeakPolarHBondContact O-CG2 3.35Å; T318-V322 PolarHBondContact O-N 3.03Å; L319-V322 PolarHBondContact O-N 2.94Å; V322-N324 VanDerWaalsContact C-N 3.3Å; V322-N324 PolarHBondContact O-N 3.07Å; V322-L325 PolarHBondContact O-N 2.88Å; V322-F326 HydrophobicContact CG1-CD2 3.61Å; V322-F326 HydrophobicContact CG1-CE2 3.79Å; V322-F326 VanDerWaalsContact O-CD2 3.31Å; V322-F326 WeakPolarHBondContact O-CD2 3.2Å; V322-F326 PolarHBondContact O-N 2.9Å |
| 323 | L | 97.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 177.2 | -71.9 | 171.4 | 0 | 0 | 0 | 112.3 | C200 I203 L204 I207 L319 S320 G327 | C200-L323 HydrophobicContact CB-CD2 4.17Å; I203-L323 HydrophobicContact CB-CD1 4.23Å; I203-L323 HydrophobicContact CG2-CD1 3.58Å; L204-L323 HydrophobicContact CD1-CB 3.91Å; L204-L323 HydrophobicContact CD2-CB 4.28Å; L204-L323 HydrophobicContact CD2-CD1 4.16Å; L204-L323 HydrophobicContact CG-CB 3.9Å; L204-L323 HydrophobicContact CG-CD1 3.96Å; I207-L323 HydrophobicContact CD1-CD1 4.25Å; L319-L323 HydrophobicContact CD1-CD1 4.08Å; L319-L323 HydrophobicContact CD1-CG 4.14Å; L319-L323 HydrophobicContact CG-CD1 3.96Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CB 3.41Å; L319-L323 VanDerWaalsContact O-CG 3.27Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.39Å; S320-L323 PolarHBondContact O-N 3.49Å; L323-G327 WeakPolarHBondContact O-CA 3.43Å; L323-G327 PolarHBondContact O-N 2.95Å |
| 324 | N | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -47.3 | 175.9 | -174.1 | 57.8 | 0 | 0 | 0 | 111.9 | L298 T299 N302 S320 W321 V322 G327 I328 | L298-N324 VanDerWaalsContact C-OD1 3.29Å; L298-N324 PolarHBondContact O-OD1 3Å; T299-N324 VanDerWaalsContact CA-OD1 3.28Å; T299-N324 WeakPolarHBondContact CA-OD1 3.43Å; T299-N324 PolarHBondContact N-OD1 3.32Å; T299-N324 PolarHBondContact OG1-OD1 2.91Å; N302-N324 HydrophobicContact CB-CB 3.92Å; S320-N324 WeakPolarHBondContact O-CB 3.45Å; S320-N324 PolarHBondContact O-N 3.26Å; W321-N324 PolarHBondContact O-N 3.14Å; V322-N324 VanDerWaalsContact C-N 3.3Å; V322-N324 PolarHBondContact O-N 3.07Å; N324-G327 PolarHBondContact O-N 3.37Å; N324-I328 WeakPolarHBondContact O-CB 3.42Å; N324-I328 VanDerWaalsContact O-CG1 3.26Å; N324-I328 WeakPolarHBondContact O-CG1 3.32Å; N324-I328 PolarHBondContact O-N 3.47Å |
| 325 | L | 96.9 | Very high | 95.4 | Very high | 120 Ų | 120 | 47.2 Ų | 47.2 | 63% | 0.628 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.8 | -48.8 | -179.8 | -177.6 | 67.4 | 0 | 0 | 0 | 111.7 | W321 V322 I328 F329 | W321-L325 WeakPolarHBondContact O-CB 3.34Å; W321-L325 PolarHBondContact O-N 3.49Å; V322-L325 PolarHBondContact O-N 2.88Å; L325-I328 PolarHBondContact O-N 3.33Å; L325-F329 PolarHBondContact O-N 3.4Å |
| 326 | F | 96.6 | Very high | 94.9 | Very high | 108 Ų | 108 | 41.2 Ų | 41.2 | 47% | 0.474 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.7 | -81 | -72.3 | 0 | 0 | 0 | 112 | V322 I328 F329 F330 | V322-F326 HydrophobicContact CG1-CD2 3.61Å; V322-F326 HydrophobicContact CG1-CE2 3.79Å; V322-F326 VanDerWaalsContact O-CD2 3.31Å; V322-F326 WeakPolarHBondContact O-CD2 3.2Å; V322-F326 PolarHBondContact O-N 2.9Å; F326-I328 PolarHBondContact O-N 3.05Å; F326-F329 PolarHBondContact O-N 3.3Å; F326-F330 HydrophobicContact CB-CD2 4.35Å; F326-F330 HydrophobicContact CB-CE2 3.98Å; F326-F330 HydrophobicContact CD1-CZ 4.32Å; F326-F330 WeakPolarHBondContact O-CB 3.43Å; F326-F330 WeakPolarHBondContact O-CD2 3.36Å; F326-F330 WeakPolarHBondContact O-CG 3.45Å; F326-F330 PolarHBondContact O-N 2.86Å |
| 327 | G | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L323 N324 F330 I331 | L323-G327 WeakPolarHBondContact O-CA 3.43Å; L323-G327 PolarHBondContact O-N 2.95Å; N324-G327 PolarHBondContact O-N 3.37Å; G327-F330 PolarHBondContact O-N 3.25Å; G327-I331 VanDerWaalsContact O-CG1 3.3Å; G327-I331 WeakPolarHBondContact O-CG1 3.3Å; G327-I331 PolarHBondContact O-N 2.92Å |
| 328 | I | 95.9 | Very high | 94.6 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 14% | 0.138 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 174.5 | -73.4 | 171.6 | 0 | 0 | 0 | 111.3 | T295 N324 L325 F326 F330 I331 L332 V342 F346 | T295-I328 HydrophobicContact CG2-CD1 4.33Å; T295-I328 HydrophobicContact CG2-CG1 4.16Å; N324-I328 WeakPolarHBondContact O-CB 3.42Å; N324-I328 VanDerWaalsContact O-CG1 3.26Å; N324-I328 WeakPolarHBondContact O-CG1 3.32Å; N324-I328 PolarHBondContact O-N 3.47Å; L325-I328 PolarHBondContact O-N 3.33Å; F326-I328 PolarHBondContact O-N 3.05Å; I328-F330 VanDerWaalsContact C-N 3.34Å; I328-F330 PolarHBondContact O-N 2.92Å; I328-I331 PolarHBondContact O-N 3Å; I328-L332 PolarHBondContact O-N 3Å; I328-V342 HydrophobicContact CG2-CG1 3.63Å; I328-F346 HydrophobicContact CD1-CD2 4.03Å |
| 329 | F | 95.4 | Very high | 94.5 | Very high | 87 Ų | 87 | 36 Ų | 36 | 38% | 0.382 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 176.6 | 171.2 | -99.6 | 0 | 0 | 0 | 112 | F183 L325 F326 I331 L332 A333 | F183-F329 HydrophobicContact CZ-CD2 4.41Å; F183-F329 HydrophobicContact CZ-CE2 4.33Å; L325-F329 PolarHBondContact O-N 3.4Å; F326-F329 PolarHBondContact O-N 3.3Å; F329-I331 PolarHBondContact O-N 3.37Å; F329-L332 PolarHBondContact O-N 2.87Å; F329-A333 HydrophobicContact CE1-CB 4.3Å; F329-A333 HydrophobicContact CZ-CB 4.34Å; F329-A333 WeakPolarHBondContact O-CB 3.42Å; F329-A333 PolarHBondContact O-N 3.43Å |
| 330 | F | 95.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 37.7 Ų | 37.7 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.8 | -33.6 | -179.9 | -71.7 | -37.4 | 0 | 0 | 0 | 113.3 | W192 A193 M196 A197 F326 G327 I328 L332 A334 | W192-F330 HydrophobicContact CH2-CE1 4.33Å; W192-F330 HydrophobicContact CZ3-CD1 4.44Å; W192-F330 AromaticContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CE1 3.95Å; W192-F330 HydrophobicContact CZ3-CZ 4.46Å; A193-F330 HydrophobicContact CB-CB 4.21Å; A193-F330 HydrophobicContact CB-CD1 4.11Å; A193-F330 WeakPolarHBondContact CB-O 3.46Å; A193-F330 WeakPolarHBondContact O-CB 3.5Å; M196-F330 HydrophobicContact CB-CD2 3.76Å; M196-F330 HydrophobicContact CB-CE2 3.88Å; M196-F330 HydrophobicContact CB-CG 4.18Å; M196-F330 HydrophobicContact CB-CZ 4.39Å; A197-F330 HydrophobicContact CB-CB 3.78Å; F326-F330 HydrophobicContact CB-CD2 4.35Å; F326-F330 HydrophobicContact CB-CE2 3.98Å; F326-F330 HydrophobicContact CD1-CZ 4.32Å; F326-F330 WeakPolarHBondContact O-CB 3.43Å; F326-F330 WeakPolarHBondContact O-CD2 3.36Å; F326-F330 WeakPolarHBondContact O-CG 3.45Å; F326-F330 PolarHBondContact O-N 2.86Å; G327-F330 PolarHBondContact O-N 3.25Å; I328-F330 VanDerWaalsContact C-N 3.34Å; I328-F330 PolarHBondContact O-N 2.92Å; F330-L332 VanDerWaalsContact C-N 3.34Å; F330-A334 WeakPolarHBondContact O-CB 3.48Å; F330-A334 PolarHBondContact O-N 3.31Å; F330-A334 VanDerWaalsContact O-N 3.1Å |
| 331 | I | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 171.6 | -70.9 | 165.9 | 0 | 0 | 0 | 110.2 | A197 H294 L298 G327 I328 F329 A334 H337 V342 | A197-I331 HydrophobicContact CB-CG1 3.76Å; H294-I331 HydrophobicContact CB-CD1 3.61Å; H294-I331 HydrophobicContact CB-CG1 4.32Å; L298-I331 HydrophobicContact CD1-CD1 3.75Å; G327-I331 VanDerWaalsContact O-CG1 3.3Å; G327-I331 WeakPolarHBondContact O-CG1 3.3Å; G327-I331 PolarHBondContact O-N 2.92Å; I328-I331 PolarHBondContact O-N 3Å; F329-I331 PolarHBondContact O-N 3.37Å; I331-A334 PolarHBondContact O-N 2.89Å; I331-H337 HydrophobicContact CG2-CB 4.04Å; I331-V342 HydrophobicContact CG2-CG2 3.78Å |
| 332 | L | 93.8 | Very high | 94 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.7 | -45.1 | 179.9 | -65.3 | 173.7 | 0 | 0 | 0 | 111.8 | F183 I328 F329 F330 A334 H335 V342 | F183-L332 HydrophobicContact CD1-CB 3.79Å; F183-L332 HydrophobicContact CD1-CD1 4.47Å; F183-L332 HydrophobicContact CD2-CD1 4.43Å; F183-L332 HydrophobicContact CE1-CB 3.35Å; F183-L332 HydrophobicContact CE1-CD1 4.34Å; F183-L332 HydrophobicContact CE1-CG 4.4Å; F183-L332 HydrophobicContact CE2-CD1 4.26Å; F183-L332 HydrophobicContact CZ-CB 3.81Å; F183-L332 HydrophobicContact CZ-CD1 4.2Å; I328-L332 PolarHBondContact O-N 3Å; F329-L332 PolarHBondContact O-N 2.87Å; F330-L332 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 2.67Å; L332-H335 PolarHBondContact O-CD2 3.07Å; L332-H335 VanDerWaalsContact O-CD2 3.29Å; L332-H335 PolarHBondContact O-N 3.11Å; L332-V342 HydrophobicContact CD1-CG1 4.46Å; L332-V342 HydrophobicContact CD2-CB 3.89Å; L332-V342 HydrophobicContact CD2-CG1 4.3Å; L332-V342 HydrophobicContact CD2-CG2 3.54Å; L332-V342 HydrophobicContact CG-CB 4.45Å; L332-V342 HydrophobicContact CG-CG1 4.34Å; L332-V342 HydrophobicContact CG-CG2 4.15Å |
| 333 | A | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.4 | -21 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I190 A193 F329 H335 | I190-A333 HydrophobicContact CB-CB 4.49Å; I190-A333 HydrophobicContact CD1-CB 4.21Å; I190-A333 HydrophobicContact CG1-CB 4.47Å; I190-A333 PolarHBondContact N-O 3.39Å; A193-A333 HydrophobicContact CB-CB 4.1Å; F329-A333 HydrophobicContact CE1-CB 4.3Å; F329-A333 HydrophobicContact CZ-CB 4.34Å; F329-A333 WeakPolarHBondContact O-CB 3.42Å; F329-A333 PolarHBondContact O-N 3.43Å; A333-H335 VanDerWaalsContact C-N 3.31Å; A333-H335 PolarHBondContact O-CD2 3.09Å |
| 334 | A | 90.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | R189 A193 F194 F330 I331 L332 E336 | R189-A334 PolarHBondContact NE-O 2.95Å; A193-A334 HydrophobicContact CB-CB 4.24Å; F194-A334 HydrophobicContact CB-CB 3.63Å; F194-A334 HydrophobicContact CD2-CB 4.03Å; F194-A334 HydrophobicContact CG-CB 4.27Å; F330-A334 WeakPolarHBondContact O-CB 3.48Å; F330-A334 PolarHBondContact O-N 3.31Å; F330-A334 VanDerWaalsContact O-N 3.1Å; I331-A334 PolarHBondContact O-N 2.89Å; L332-A334 PolarHBondContact O-N 2.67Å; A334-E336 HydrophobicContact CB-CB 4.49Å; A334-E336 HydrophobicContact CB-CG 3.76Å; A334-E336 PolarHBondContact O-N 2.72Å |
| 335 | H | 90.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 29.1 | -175.1 | -63.2 | -150.7 | 0 | 0 | 0 | 113.1 | L184 V187 R189 H251 L332 A333 | L184-H335 HydrophobicContact CD2-CB 3.69Å; L184-H335 PolarHBondContact O-CE1 3.04Å; V187-H335 PolarHBondContact O-CE1 2.93Å; V187-H335 PolarHBondContact O-NE2 3.24Å; R189-H335 HydrophobicContact CG-CB 4.22Å; H251-H335 PolarHBondContact CE1-O 2.98Å; L332-H335 PolarHBondContact O-CD2 3.07Å; L332-H335 VanDerWaalsContact O-CD2 3.29Å; L332-H335 PolarHBondContact O-N 3.11Å; A333-H335 VanDerWaalsContact C-N 3.31Å; A333-H335 PolarHBondContact O-CD2 3.09Å |
| 336 | E | 84.6 | Confident | 93.5 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -91.1 | -20.3 | 178.4 | -60.1 | -69.3 | 143.4 | 0 | 0 | 112.1 | F194 P248 H251 L252 Y289 A334 | F194-E336 HydrophobicContact CB-CG 4.38Å; F194-E336 HydrophobicContact CD2-CB 3.97Å; F194-E336 HydrophobicContact CD2-CG 3.72Å; F194-E336 HydrophobicContact CE2-CB 3.93Å; F194-E336 HydrophobicContact CE2-CG 4.12Å; F194-E336 HydrophobicContact CG-CG 3.98Å; P248-E336 WeakPolarHBondContact CG-O 3.23Å; H251-E336 IonicContact CD2-OE1 3.89Å; H251-E336 PolarHBondContact CD2-OE1 2.91Å; H251-E336 IonicContact CE1-OE1 3.72Å; H251-E336 IonicContact NE2-OE1 2.68Å; H251-E336 PolarHBondContact NE2-OE1 2.7Å; L252-E336 WeakPolarHBondContact CD2-OE2 3.11Å; L252-E336 WeakPolarHBondContact CG-OE2 3.35Å; Y289-E336 WeakPolarHBondContact CD1-O 3.41Å; Y289-E336 WeakPolarHBondContact CE1-O 2.86Å; A334-E336 HydrophobicContact CB-CB 4.49Å; A334-E336 HydrophobicContact CB-CG 3.76Å; A334-E336 PolarHBondContact O-N 2.72Å |
| 337 | H | 90.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -134.5 | 150.3 | 177.6 | -73.9 | -81 | 0 | 0 | 0 | 110.8 | D288 I331 D341 V342 | D288-H337 IonicContact OD2-CE1 2.83Å; I331-H337 HydrophobicContact CG2-CB 4.04Å; H337-D341 HydrophobicContact CB-CB 4.49Å; H337-D341 IonicContact CE1-OD2 3.76Å; H337-D341 IonicContact CG-OD2 2.94Å; H337-D341 IonicContact ND1-OD2 3.64Å; H337-D341 PolarHBondContact ND1-OD2 3.39Å; H337-V342 HydrophobicContact CB-CG2 4.17Å |
| 338 | Y | 92.7 | Very high | 93.5 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | trans | -69.1 | 153.5 | 170.2 | -67.1 | -74.4 | 0 | 0 | 0 | 111.5 | L179 D181 L184 L245 S246 P248 I340 D341 V342 | L179-Y338 HydrophobicContact CB-CE1 3.96Å; L179-Y338 PolarHBondContact N-OH 3.39Å; L179-Y338 VanDerWaalsContact N-OH 3.16Å; D181-Y338 HydrophobicContact CB-CD1 4.21Å; L184-Y338 HydrophobicContact CD1-CD1 3.78Å; L184-Y338 HydrophobicContact CD1-CE1 4.27Å; L245-Y338 HydrophobicContact CB-CE2 4.47Å; S246-Y338 VanDerWaalsContact O-CE2 3.26Å; S246-Y338 WeakPolarHBondContact O-CE2 3.34Å; S246-Y338 PolarHBondContact O-OH 3.41Å; S246-Y338 PolarHBondContact OG-OH 3.38Å; P248-Y338 HydrophobicContact CB-CD1 4.17Å; P248-Y338 HydrophobicContact CB-CD2 4.35Å; P248-Y338 HydrophobicContact CB-CE1 3.88Å; P248-Y338 HydrophobicContact CB-CE2 4.06Å; P248-Y338 HydrophobicContact CB-CG 4.4Å; Y338-I340 VanDerWaalsContact C-N 3.29Å; Y338-I340 PolarHBondContact O-N 2.96Å; Y338-D341 WeakPolarHBondContact O-CB 3.37Å; Y338-D341 PolarHBondContact O-N 3.31Å; Y338-D341 VanDerWaalsContact O-N 3.11Å; Y338-V342 PolarHBondContact O-N 2.62Å | ||
| 339 | S | 93.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 175.5 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | D181 D341 V342 F343 | D181-S339 WeakPolarHBondContact OD1-CB 3.27Å; D181-S339 PolarHBondContact OD1-OG 3.19Å; D181-S339 WeakPolarHBondContact OD2-CB 3.39Å; D181-S339 PolarHBondContact OD2-N 2.95Å; D181-S339 PolarHBondContact OD2-OG 2.76Å; S339-D341 VanDerWaalsContact C-N 3.25Å; S339-D341 PolarHBondContact O-N 3.38Å; S339-V342 PolarHBondContact O-N 3.27Å; S339-F343 WeakPolarHBondContact O-CB 3.29Å; S339-F343 PolarHBondContact O-N 3.11Å |
| 340 | I | 93 | Very high | 93.4 | Very high | 92 Ų | 92 | 34 Ų | 34 | 47% | 0.472 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.3 | -34.4 | 175.2 | -167.5 | 61.3 | 0 | 0 | 0 | 112.1 | Y338 F343 I344 | Y338-I340 VanDerWaalsContact C-N 3.29Å; Y338-I340 PolarHBondContact O-N 2.96Å; I340-F343 HydrophobicContact CD1-CD1 4.41Å; I340-F343 PolarHBondContact O-N 2.61Å; I340-I344 HydrophobicContact CD1-CD1 4.05Å; I340-I344 HydrophobicContact CD1-CG1 4.15Å; I340-I344 HydrophobicContact CG1-CD1 3.78Å; I340-I344 HydrophobicContact CG1-CG1 4.26Å; I340-I344 WeakPolarHBondContact O-CB 3.49Å; I340-I344 VanDerWaalsContact O-CG1 3.3Å; I340-I344 WeakPolarHBondContact O-CG1 3.44Å; I340-I344 PolarHBondContact O-N 3.41Å |
| 341 | D | 92.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -49.5 | -179.9 | -173.9 | 8.8 | 0 | 0 | 0 | 110.6 | Y289 F291 S292 H337 Y338 S339 A345 | Y289-D341 WeakPolarHBondContact CA-OD2 3.43Å; Y289-D341 WeakPolarHBondContact O-CB 3.44Å; F291-D341 WeakPolarHBondContact CA-OD1 3.05Å; F291-D341 PolarHBondContact N-OD1 3.21Å; S292-D341 PolarHBondContact N-OD1 2.68Å; H337-D341 HydrophobicContact CB-CB 4.49Å; H337-D341 IonicContact CE1-OD2 3.76Å; H337-D341 IonicContact CG-OD2 2.94Å; H337-D341 IonicContact ND1-OD2 3.64Å; H337-D341 PolarHBondContact ND1-OD2 3.39Å; Y338-D341 WeakPolarHBondContact O-CB 3.37Å; Y338-D341 PolarHBondContact O-N 3.31Å; Y338-D341 VanDerWaalsContact O-N 3.11Å; S339-D341 VanDerWaalsContact C-N 3.25Å; S339-D341 PolarHBondContact O-N 3.38Å; D341-A345 VanDerWaalsContact O-CB 3.25Å; D341-A345 WeakPolarHBondContact O-CB 3.33Å; D341-A345 PolarHBondContact O-N 2.64Å |
| 342 | V | 94.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -43 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | T295 I328 I331 L332 H337 Y338 S339 A345 F346 | T295-V342 HydrophobicContact CG2-CG1 4.05Å; I328-V342 HydrophobicContact CG2-CG1 3.63Å; I331-V342 HydrophobicContact CG2-CG2 3.78Å; L332-V342 HydrophobicContact CD1-CG1 4.46Å; L332-V342 HydrophobicContact CD2-CB 3.89Å; L332-V342 HydrophobicContact CD2-CG1 4.3Å; L332-V342 HydrophobicContact CD2-CG2 3.54Å; L332-V342 HydrophobicContact CG-CB 4.45Å; L332-V342 HydrophobicContact CG-CG1 4.34Å; L332-V342 HydrophobicContact CG-CG2 4.15Å; H337-V342 HydrophobicContact CB-CG2 4.17Å; Y338-V342 PolarHBondContact O-N 2.62Å; S339-V342 PolarHBondContact O-N 3.27Å; V342-A345 PolarHBondContact O-N 3.41Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 PolarHBondContact O-N 3.37Å |
| 343 | F | 94.8 | Very high | 93.4 | Very high | 130 Ų | 130 | 39.2 Ų | 39.2 | 57% | 0.57 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.8 | -48.3 | 179.5 | 177.5 | -100.3 | 0 | 0 | 0 | 112.6 | S339 I340 A345 F346 Y347 | S339-F343 WeakPolarHBondContact O-CB 3.29Å; S339-F343 PolarHBondContact O-N 3.11Å; I340-F343 HydrophobicContact CD1-CD1 4.41Å; I340-F343 PolarHBondContact O-N 2.61Å; F343-A345 VanDerWaalsContact C-N 3.34Å; F343-A345 PolarHBondContact O-N 3.2Å; F343-F346 PolarHBondContact O-N 2.95Å; F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 3.34Å |
| 344 | I | 94.5 | Very high | 93.3 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 35% | 0.354 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 179.1 | -66.4 | 174.4 | 0 | 0 | 0 | 110.2 | F291 I340 F346 Y347 I348 | F291-I344 HydrophobicContact CD2-CG2 4.07Å; F291-I344 HydrophobicContact CE2-CG2 4.48Å; I340-I344 HydrophobicContact CD1-CD1 4.05Å; I340-I344 HydrophobicContact CD1-CG1 4.15Å; I340-I344 HydrophobicContact CG1-CD1 3.78Å; I340-I344 HydrophobicContact CG1-CG1 4.26Å; I340-I344 WeakPolarHBondContact O-CB 3.49Å; I340-I344 VanDerWaalsContact O-CG1 3.3Å; I340-I344 WeakPolarHBondContact O-CG1 3.44Å; I340-I344 PolarHBondContact O-N 3.41Å; I344-F346 PolarHBondContact O-N 3.44Å; I344-Y347 PolarHBondContact O-N 3.21Å; I344-I348 HydrophobicContact CG2-CD1 3.61Å; I344-I348 HydrophobicContact CG2-CG1 4.11Å; I344-I348 WeakPolarHBondContact O-CB 3.38Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 3.05Å |
| 345 | A | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F291 T295 V296 D341 V342 F343 T349 | F291-A345 HydrophobicContact CD2-CB 4.36Å; F291-A345 HydrophobicContact CE2-CB 4.33Å; T295-A345 HydrophobicContact CG2-CB 3.82Å; V296-A345 HydrophobicContact CG2-CB 4.11Å; D341-A345 VanDerWaalsContact O-CB 3.25Å; D341-A345 WeakPolarHBondContact O-CB 3.33Å; D341-A345 PolarHBondContact O-N 2.64Å; V342-A345 PolarHBondContact O-N 3.41Å; F343-A345 VanDerWaalsContact C-N 3.34Å; F343-A345 PolarHBondContact O-N 3.2Å; A345-T349 VanDerWaalsContact O-CB 3.23Å; A345-T349 WeakPolarHBondContact O-CB 3.38Å; A345-T349 PolarHBondContact O-N 3.07Å; A345-T349 VanDerWaalsContact O-N 3.11Å; A345-T349 PolarHBondContact O-OG1 2.81Å |
| 346 | F | 95.6 | Very high | 93.3 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 30% | 0.303 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.7 | -46 | 175.6 | 178.8 | -99.1 | 0 | 0 | 0 | 111.9 | T295 T299 F303 I328 V342 F343 I344 T350 | T295-F346 HydrophobicContact CG2-CB 4.25Å; T299-F346 HydrophobicContact CG2-CD2 3.73Å; T299-F346 HydrophobicContact CG2-CE2 3.92Å; F303-F346 HydrophobicContact CZ-CE2 4.38Å; I328-F346 HydrophobicContact CD1-CD2 4.03Å; V342-F346 WeakPolarHBondContact O-CB 3.49Å; V342-F346 PolarHBondContact O-N 3.37Å; F343-F346 PolarHBondContact O-N 2.95Å; I344-F346 PolarHBondContact O-N 3.44Å; F346-T350 WeakPolarHBondContact O-CB 3.41Å; F346-T350 PolarHBondContact O-N 3.16Å; F346-T350 PolarHBondContact O-OG1 3.5Å |
| 347 | Y | 96.1 | Very high | 93.5 | Very high | 114 Ų | 114 | 47.6 Ų | 47.6 | 45% | 0.447 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.4 | -53.1 | -178 | -179.1 | -99.1 | 0 | 0 | 0 | 112.6 | F343 I344 T349 T350 R351 | F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 3.34Å; I344-Y347 PolarHBondContact O-N 3.21Å; Y347-T349 PolarHBondContact O-N 3.28Å; Y347-T350 PolarHBondContact O-N 3.4Å; Y347-R351 HydrophobicContact CD1-CG 4.29Å; Y347-R351 HydrophobicContact CD2-CG 4.41Å; Y347-R351 HydrophobicContact CE1-CG 3.9Å; Y347-R351 HydrophobicContact CE2-CG 4.03Å; Y347-R351 WeakPolarHBondContact O-CG 3.49Å; Y347-R351 PolarHBondContact O-N 3.43Å; Y347-R351 PolarHBondContact OH-NE 3.37Å |
| 348 | I | 95.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | -178.7 | -69.5 | -178.2 | 0 | 0 | 0 | 110.5 | L235 F291 I344 T350 R351 L352 | L235-I348 HydrophobicContact CD2-CD1 4.21Å; L235-I348 HydrophobicContact CD2-CG2 4.09Å; F291-I348 HydrophobicContact CD2-CD1 4.1Å; F291-I348 HydrophobicContact CE2-CB 3.71Å; F291-I348 HydrophobicContact CE2-CD1 3.65Å; F291-I348 HydrophobicContact CE2-CG1 4.12Å; F291-I348 HydrophobicContact CE2-CG2 3.86Å; F291-I348 HydrophobicContact CZ-CB 4.15Å; F291-I348 HydrophobicContact CZ-CG2 3.87Å; I344-I348 HydrophobicContact CG2-CD1 3.61Å; I344-I348 HydrophobicContact CG2-CG1 4.11Å; I344-I348 WeakPolarHBondContact O-CB 3.38Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 3.05Å; I348-T350 VanDerWaalsContact C-N 3.34Å; I348-T350 PolarHBondContact O-N 2.88Å; I348-R351 PolarHBondContact O-N 3.24Å; I348-L352 HydrophobicContact CG2-CD1 3.6Å; I348-L352 HydrophobicContact CG2-CG 4.27Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 3.35Å |
| 349 | T | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | T299 M300 A345 Y347 F353 | T299-T349 HydrophobicContact CG2-CG2 3.87Å; M300-T349 HydrophobicContact CB-CG2 4.1Å; M300-T349 HydrophobicContact CE-CG2 3.9Å; M300-T349 HydrophobicContact SD-CG2 4.24Å; A345-T349 VanDerWaalsContact O-CB 3.23Å; A345-T349 WeakPolarHBondContact O-CB 3.38Å; A345-T349 PolarHBondContact O-N 3.07Å; A345-T349 VanDerWaalsContact O-N 3.11Å; A345-T349 PolarHBondContact O-OG1 2.81Å; Y347-T349 PolarHBondContact O-N 3.28Å; T349-F353 VanDerWaalsContact O-CB 3.24Å; T349-F353 WeakPolarHBondContact O-CB 3.34Å; T349-F353 PolarHBondContact O-N 3.13Å |
| 350 | T | 95.3 | Very high | 92.4 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | F303 F346 Y347 I348 F353 L354 | F303-T350 HydrophobicContact CE2-CG2 4.08Å; F303-T350 WeakPolarHBondContact CE2-OG1 3.4Å; F303-T350 HydrophobicContact CZ-CG2 4.09Å; F303-T350 WeakPolarHBondContact CZ-OG1 3.26Å; F346-T350 WeakPolarHBondContact O-CB 3.41Å; F346-T350 PolarHBondContact O-N 3.16Å; F346-T350 PolarHBondContact O-OG1 3.5Å; Y347-T350 PolarHBondContact O-N 3.4Å; I348-T350 VanDerWaalsContact C-N 3.34Å; I348-T350 PolarHBondContact O-N 2.88Å; T350-F353 PolarHBondContact O-N 3.03Å; T350-L354 WeakPolarHBondContact O-CB 3.44Å; T350-L354 PolarHBondContact O-N 3.27Å |
| 351 | R | 95.3 | Very high | 91.9 | Very high | 97 Ų | 97 | 48 Ų | 48 | 37% | 0.366 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.2 | -45.3 | -179.4 | -67.9 | -61.7 | 179.3 | -149.4 | -1.6 | 112.2 | Y347 I348 F353 L354 Y355 | Y347-R351 HydrophobicContact CD1-CG 4.29Å; Y347-R351 HydrophobicContact CD2-CG 4.41Å; Y347-R351 HydrophobicContact CE1-CG 3.9Å; Y347-R351 HydrophobicContact CE2-CG 4.03Å; Y347-R351 WeakPolarHBondContact O-CG 3.49Å; Y347-R351 PolarHBondContact O-N 3.43Å; Y347-R351 PolarHBondContact OH-NE 3.37Å; I348-R351 PolarHBondContact O-N 3.24Å; R351-F353 VanDerWaalsContact C-N 3.34Å; R351-F353 PolarHBondContact O-N 3.25Å; R351-L354 PolarHBondContact O-N 3.2Å; R351-Y355 HydrophobicContact CB-CE2 4.19Å; R351-Y355 WeakPolarHBondContact O-CB 3.4Å; R351-Y355 WeakPolarHBondContact O-CD2 3.26Å; R351-Y355 PolarHBondContact O-N 2.87Å |
| 352 | L | 93 | Very high | 91.2 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.3 | -75.4 | 172.2 | 0 | 0 | 0 | 111.6 | V232 I348 Y356 | V232-L352 HydrophobicContact CG2-CD1 3.55Å; I348-L352 HydrophobicContact CG2-CD1 3.6Å; I348-L352 HydrophobicContact CG2-CG 4.27Å; I348-L352 WeakPolarHBondContact O-CB 3.49Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 3.35Å; L352-Y356 WeakPolarHBondContact O-CB 3.39Å; L352-Y356 PolarHBondContact O-N 3.46Å |
| 353 | F | 94.4 | Very high | 89.7 | Confident | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -50 | 175.5 | -173.7 | -86.3 | 0 | 0 | 0 | 111.6 | L228 M300 F303 F304 E307 T349 T350 R351 Y356 H357 | L228-F353 HydrophobicContact CD1-CD2 4.11Å; M300-F353 HydrophobicContact SD-CD2 4.03Å; F303-F353 HydrophobicContact CB-CD1 4.05Å; F303-F353 HydrophobicContact CB-CD2 3.81Å; F303-F353 HydrophobicContact CB-CE1 3.91Å; F303-F353 HydrophobicContact CB-CE2 3.63Å; F303-F353 HydrophobicContact CB-CG 4.02Å; F303-F353 HydrophobicContact CB-CZ 3.69Å; F303-F353 HydrophobicContact CD2-CB 4.03Å; F303-F353 HydrophobicContact CD2-CD1 4.15Å; F303-F353 HydrophobicContact CD2-CD2 4.31Å; F303-F353 AromaticContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CD2-CG 3.9Å; F303-F353 HydrophobicContact CG-CD1 4.35Å; F303-F353 HydrophobicContact CG-CG 4.37Å; F304-F353 HydrophobicContact CD2-CD2 4.37Å; F304-F353 AromaticContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CD2-CE2 3.86Å; F304-F353 HydrophobicContact CE2-CD2 4.21Å; F304-F353 AromaticContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CE2-CE2 3.94Å; F304-F353 HydrophobicContact CG-CE2 4.21Å; F304-F353 HydrophobicContact CZ-CE2 4.33Å; E307-F353 HydrophobicContact CB-CE1 4.46Å; E307-F353 HydrophobicContact CB-CZ 3.87Å; E307-F353 HydrophobicContact CG-CZ 4.2Å; T349-F353 VanDerWaalsContact O-CB 3.24Å; T349-F353 WeakPolarHBondContact O-CB 3.34Å; T349-F353 PolarHBondContact O-N 3.13Å; T350-F353 PolarHBondContact O-N 3.03Å; R351-F353 VanDerWaalsContact C-N 3.34Å; R351-F353 PolarHBondContact O-N 3.25Å; F353-Y356 PolarHBondContact O-N 2.85Å; F353-H357 AromaticContact CD1-ND1 3.72Å; F353-H357 AromaticContact CD2-CE1 3.61Å; F353-H357 AromaticContact CD2-ND1 3.85Å; F353-H357 AromaticContact CE1-CE1 3.8Å; F353-H357 AromaticContact CE1-ND1 3.57Å; F353-H357 AromaticContact CE2-CE1 3.19Å; F353-H357 WeakPolarHBondContact CE2-CE1 3.06Å; F353-H357 AromaticContact CE2-ND1 3.73Å; F353-H357 AromaticContact CE2-NE2 3.94Å; F353-H357 AromaticContact CG-ND1 3.84Å; F353-H357 AromaticContact CZ-CE1 3.28Å; F353-H357 WeakPolarHBondContact CZ-CE1 3.35Å; F353-H357 AromaticContact CZ-ND1 3.57Å; F353-H357 AromaticContact CZ-NE2 3.74Å; F353-H357 PolarHBondContact O-N 3.11Å; F353-H357 PolarHBondContact O-ND1 3.47Å |
| 354 | L | 92.3 | Very high | 88 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | -179.9 | -177.8 | 68.1 | 0 | 0 | 0 | 111.8 | T350 R351 H357 T358 | T350-L354 WeakPolarHBondContact O-CB 3.44Å; T350-L354 PolarHBondContact O-N 3.27Å; R351-L354 PolarHBondContact O-N 3.2Å; L354-H357 PolarHBondContact O-N 3.24Å; L354-T358 WeakPolarHBondContact O-CB 3.49Å; L354-T358 PolarHBondContact O-N 2.69Å; L354-T358 PolarHBondContact O-OG1 2.86Å |
| 355 | Y | 89.7 | Confident | 86.2 | Confident | 120 Ų | 120 | 57.6 Ų | 57.6 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 179.1 | -66.9 | -18.6 | 0 | 0 | 0 | 111.3 | R351 T358 L359 | R351-Y355 HydrophobicContact CB-CE2 4.19Å; R351-Y355 WeakPolarHBondContact O-CB 3.4Å; R351-Y355 WeakPolarHBondContact O-CD2 3.26Å; R351-Y355 PolarHBondContact O-N 2.87Å; Y355-T358 PolarHBondContact O-N 2.75Å; Y355-L359 WeakPolarHBondContact O-CB 3.05Å; Y355-L359 WeakPolarHBondContact O-CG 2.95Å; Y355-L359 PolarHBondContact O-N 3.23Å |
| 356 | Y | 89.8 | Confident | 84.5 | Confident | 16 Ų | 16 | 59 Ų | 59 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 177.3 | -172.8 | -80.9 | 0 | 0 | 0 | 112 | R224 L228 L352 F353 L359 A360 F378 E382 | R224-Y356 HydrophobicContact CB-CE1 4.05Å; R224-Y356 HydrophobicContact CG-CE1 3.73Å; R224-Y356 WeakPolarHBondContact CG-OH 3.05Å; L228-Y356 HydrophobicContact CD1-CD1 3.95Å; L228-Y356 HydrophobicContact CD1-CD2 4.38Å; L228-Y356 HydrophobicContact CD1-CG 3.9Å; L228-Y356 HydrophobicContact CD2-CD2 3.67Å; L228-Y356 HydrophobicContact CD2-CE2 4.48Å; L228-Y356 HydrophobicContact CD2-CG 3.75Å; L228-Y356 HydrophobicContact CG-CD1 4.36Å; L228-Y356 HydrophobicContact CG-CD2 3.92Å; L228-Y356 HydrophobicContact CG-CE2 4.32Å; L228-Y356 HydrophobicContact CG-CG 3.95Å; L352-Y356 WeakPolarHBondContact O-CB 3.39Å; L352-Y356 PolarHBondContact O-N 3.46Å; F353-Y356 PolarHBondContact O-N 2.85Å; Y356-L359 PolarHBondContact O-N 3.44Å; Y356-A360 WeakPolarHBondContact O-CB 3.28Å; Y356-A360 PolarHBondContact O-N 3.17Å; Y356-F378 AromaticContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CE2 4.37Å; Y356-F378 AromaticContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CE2 4.3Å; Y356-F378 HydrophobicContact CG-CD2 4.32Å; Y356-E382 PolarHBondContact OH-OE1 3.03Å |
| 357 | H | 89.4 | Confident | 82.8 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.7 | -34.2 | -177.5 | -71.1 | 79.9 | 0 | 0 | 0 | 112.3 | E307 Y308 F353 L354 L359 A360 N361 | E307-H357 IonicContact OE1-CD2 3.75Å; Y308-H357 AromaticContact CE2-NE2 3.96Å; Y308-H357 AromaticContact CZ-NE2 3.98Å; Y308-H357 PolarHBondContact OH-NE2 3.48Å; F353-H357 AromaticContact CD1-ND1 3.72Å; F353-H357 AromaticContact CD2-CE1 3.61Å; F353-H357 AromaticContact CD2-ND1 3.85Å; F353-H357 AromaticContact CE1-CE1 3.8Å; F353-H357 AromaticContact CE1-ND1 3.57Å; F353-H357 AromaticContact CE2-CE1 3.19Å; F353-H357 WeakPolarHBondContact CE2-CE1 3.06Å; F353-H357 AromaticContact CE2-ND1 3.73Å; F353-H357 AromaticContact CE2-NE2 3.94Å; F353-H357 AromaticContact CG-ND1 3.84Å; F353-H357 AromaticContact CZ-CE1 3.28Å; F353-H357 WeakPolarHBondContact CZ-CE1 3.35Å; F353-H357 AromaticContact CZ-ND1 3.57Å; F353-H357 AromaticContact CZ-NE2 3.74Å; F353-H357 PolarHBondContact O-N 3.11Å; F353-H357 PolarHBondContact O-ND1 3.47Å; L354-H357 PolarHBondContact O-N 3.24Å; H357-L359 PolarHBondContact O-N 3.23Å; H357-A360 PolarHBondContact O-N 3.25Å; H357-N361 WeakPolarHBondContact O-CB 3.43Å; H357-N361 PolarHBondContact O-N 3.39Å; H357-N361 PolarHBondContact O-ND2 2.83Å |
| 358 | T | 87 | Confident | 81.5 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.1 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | L354 Y355 T362 | L354-T358 WeakPolarHBondContact O-CB 3.49Å; L354-T358 PolarHBondContact O-N 2.69Å; L354-T358 PolarHBondContact O-OG1 2.86Å; Y355-T358 PolarHBondContact O-N 2.75Å; T358-T362 VanDerWaalsContact O-CB 3.22Å; T358-T362 WeakPolarHBondContact O-CB 3.15Å; T358-T362 PolarHBondContact O-N 2.97Å; T358-T362 PolarHBondContact O-OG1 3.43Å |
| 359 | L | 83.6 | Confident | 80.3 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.6 | -70.1 | 169.6 | 0 | 0 | 0 | 111.9 | Y355 Y356 H357 N361 Y365 F375 F378 | Y355-L359 WeakPolarHBondContact O-CB 3.05Å; Y355-L359 WeakPolarHBondContact O-CG 2.95Å; Y355-L359 PolarHBondContact O-N 3.23Å; Y356-L359 PolarHBondContact O-N 3.44Å; H357-L359 PolarHBondContact O-N 3.23Å; L359-N361 VanDerWaalsContact C-N 3.35Å; L359-Y365 HydrophobicContact CD2-CD1 3.86Å; L359-Y365 HydrophobicContact CD2-CG 3.84Å; L359-F375 HydrophobicContact CD1-CD2 4.05Å; L359-F375 HydrophobicContact CD1-CE2 4.17Å; L359-F375 HydrophobicContact CD1-CG 4.45Å; L359-F378 VanDerWaalsContact C-CZ 3.48Å; L359-F378 HydrophobicContact CB-CE1 3.77Å; L359-F378 HydrophobicContact CB-CE2 3.83Å; L359-F378 HydrophobicContact CB-CZ 3.39Å |
| 360 | A | 83.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y356 H357 F378 | Y356-A360 WeakPolarHBondContact O-CB 3.28Å; Y356-A360 PolarHBondContact O-N 3.17Å; H357-A360 PolarHBondContact O-N 3.25Å; A360-F378 HydrophobicContact CB-CE2 4.06Å; A360-F378 HydrophobicContact CB-CZ 4.33Å |
| 361 | N | 82.2 | Confident | 78.1 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -84.6 | -21.6 | -177.7 | -65.9 | -17.5 | 0 | 0 | 0 | 112.4 | H357 L359 P388 | H357-N361 WeakPolarHBondContact O-CB 3.43Å; H357-N361 PolarHBondContact O-N 3.39Å; H357-N361 PolarHBondContact O-ND2 2.83Å; L359-N361 VanDerWaalsContact C-N 3.35Å; N361-P388 WeakPolarHBondContact OD1-CA 3.47Å |
| 362 | T | 78.8 | Confident | 76.9 | Confident | 56 Ų | 56 | 75.5 Ų | 75.5 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | trans | -98.4 | 105.4 | -177.7 | -52.3 | 0 | 0 | 0 | 0 | 112 | T358 A364 Y365 | T358-T362 VanDerWaalsContact O-CB 3.22Å; T358-T362 WeakPolarHBondContact O-CB 3.15Å; T358-T362 PolarHBondContact O-N 2.97Å; T358-T362 PolarHBondContact O-OG1 3.43Å; T362-A364 VanDerWaalsContact C-N 3.27Å; T362-A364 HydrophobicContact CG2-CB 4.29Å; T362-A364 PolarHBondContact O-N 3.35Å; T362-Y365 HydrophobicContact CG2-CD2 4.14Å; T362-Y365 PolarHBondContact O-N 2.88Å | ||
| 363 | R | 63.5 | Low | 76.1 | Confident | 143 Ų | 143 | 78.9 Ų | 78.9 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.5 | -34 | -178.4 | -67 | -175.1 | 175.3 | -179.1 | -2 | 114.3 | Y365 Q366 N386 | R363-Y365 PolarHBondContact O-N 2.91Å; R363-Q366 PolarHBondContact O-N 3.4Å; R363-N386 PolarHBondContact NH2-O 3.02Å |
| 364 | A | 57.8 | Low | 75.2 | Confident | 81 Ų | 81 | 87 Ų | 87 | 67% | 0.669 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.7 | -29.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T362 | T362-A364 VanDerWaalsContact C-N 3.27Å; T362-A364 HydrophobicContact CG2-CB 4.29Å; T362-A364 PolarHBondContact O-N 3.35Å |
| 365 | Y | 57.6 | Low | 74.5 | Confident | 130 Ų | 130 | 87.1 Ų | 87.1 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -86.8 | -25.4 | -178.5 | -89 | -87.9 | 0 | 0 | 0 | 113.5 | L359 T362 R363 Q367 S368 A371 | L359-Y365 HydrophobicContact CD2-CD1 3.86Å; L359-Y365 HydrophobicContact CD2-CG 3.84Å; T362-Y365 HydrophobicContact CG2-CD2 4.14Å; T362-Y365 PolarHBondContact O-N 2.88Å; R363-Y365 PolarHBondContact O-N 2.91Å; Y365-Q367 PolarHBondContact O-N 3.35Å; Y365-S368 PolarHBondContact O-N 3.4Å; Y365-S368 VanDerWaalsContact O-N 3.14Å; Y365-A371 VanDerWaalsContact O-CB 3.27Å; Y365-A371 WeakPolarHBondContact O-CB 3.29Å |
| 366 | Q | 58.4 | Low | 73.8 | Confident | 31 Ų | 31 | 85.3 Ų | 85.3 | 15% | 0.145 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.4 | -28.1 | -179.1 | -69.8 | -172.2 | -45.9 | 0 | 0 | 113.1 | R363 V385 | R363-Q366 PolarHBondContact O-N 3.4Å; Q366-V385 PolarHBondContact NE2-O 3.4Å; Q366-V385 PolarHBondContact OE1-O 3.35Å |
| 367 | Q | 61 | Low | 73.2 | Confident | 169 Ų | 169 | 87.8 Ų | 87.8 | 79% | 0.79 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -2 | 178.1 | -79 | 163 | -28.4 | 0 | 0 | 113.8 | Y365 | Y365-Q367 PolarHBondContact O-N 3.35Š|
| 368 | S | 68.8 | Low | 72.7 | Confident | 44 Ų | 44 | 88 Ų | 88 | 31% | 0.308 | 41% | 0.412 | S | S | . | . | trans | -75.5 | 128.2 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | Y365 R370 A371 R372 | Y365-S368 PolarHBondContact O-N 3.4Å; Y365-S368 VanDerWaalsContact O-N 3.14Å; S368-R370 PolarHBondContact O-N 3.41Å; S368-R370 PolarHBondContact OG-N 2.97Å; S368-A371 PolarHBondContact O-N 2.85Å; S368-A371 VanDerWaalsContact O-N 3.16Å; S368-R372 PolarHBondContact O-N 3.39Å | ||
| 369 | R | 69.7 | Low | 72 | Confident | 154 Ų | 154 | 85.3 Ų | 85.3 | 58% | 0.581 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -55.6 | -32.5 | 172.8 | -170.4 | 177.3 | 177.3 | -173.3 | 0.4 | 112.1 | R372 I373 | R369-R372 PolarHBondContact O-N 2.98Å; R369-I373 HydrophobicContact CG-CD1 4.17Å; R369-I373 WeakPolarHBondContact O-CG1 3.47Å; R369-I373 PolarHBondContact O-N 3.31Å |
| 370 | R | 74.4 | Confident | 71.9 | Confident | 184 Ų | 184 | 88 Ų | 88 | 69% | 0.694 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.4 | -44 | 178.3 | -176.4 | 177.4 | -89.9 | 165 | -7 | 111.8 | S368 R372 I373 W374 | S368-R370 PolarHBondContact O-N 3.41Å; S368-R370 PolarHBondContact OG-N 2.97Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.26Å; R370-I373 PolarHBondContact O-N 2.01Å; R370-W374 PolarHBondContact O-N 3.34Å |
| 371 | A | 69.5 | Low | 71.7 | Confident | 8 Ų | 8 | 88.1 Ų | 88.1 | 7% | 0.066 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y365 S368 I373 F375 | Y365-A371 VanDerWaalsContact O-CB 3.27Å; Y365-A371 WeakPolarHBondContact O-CB 3.29Å; S368-A371 PolarHBondContact O-N 2.85Å; S368-A371 VanDerWaalsContact O-N 3.16Å; A371-I373 PolarHBondContact O-N 3.23Å; A371-F375 CarbonylContact O-C 3.57Å; A371-F375 WeakPolarHBondContact O-CA 3.44Å; A371-F375 PolarHBondContact O-N 3.44Å |
| 372 | R | 71.1 | Confident | 71.6 | Confident | 143 Ų | 143 | 85.5 Ų | 85.5 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 176.7 | -168.4 | 178.9 | -59 | 165.8 | 4.8 | 113.5 | S368 R369 R370 P376 | S368-R372 PolarHBondContact O-N 3.39Å; R369-R372 PolarHBondContact O-N 2.98Å; R370-R372 VanDerWaalsContact C-N 3.28Å; R370-R372 PolarHBondContact O-N 3.26Å; R372-P376 WeakPolarHBondContact O-CA 3.42Å |
| 373 | I | 76.3 | Confident | 71.1 | Confident | 116 Ų | 116 | 86.2 Ų | 86.2 | 60% | 0.595 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -76 | -44.7 | 179.4 | -67.2 | 166.1 | 0 | 0 | 0 | 111 | R369 R370 A371 | R369-I373 HydrophobicContact CG-CD1 4.17Å; R369-I373 WeakPolarHBondContact O-CG1 3.47Å; R369-I373 PolarHBondContact O-N 3.31Å; R370-I373 PolarHBondContact O-N 2.01Å; A371-I373 PolarHBondContact O-N 3.23Å |
| 374 | W | 75.1 | Confident | 71.3 | Confident | 190 Ų | 190 | 83.7 Ų | 83.7 | 72% | 0.72 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -79.9 | -28.3 | -175.6 | -73.1 | 66.9 | 0 | 0 | 0 | 112.8 | R370 | R370-W374 PolarHBondContact O-N 3.34Å |
| 375 | F | 78.1 | Confident | 72 | Confident | 87 Ų | 87 | 80 Ų | 80 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | trans | -133.7 | 68.4 | -179.2 | -54 | -80.7 | 0 | 0 | 0 | 111.1 | L359 A371 M377 F378 S379 | L359-F375 HydrophobicContact CD1-CD2 4.05Å; L359-F375 HydrophobicContact CD1-CE2 4.17Å; L359-F375 HydrophobicContact CD1-CG 4.45Å; A371-F375 CarbonylContact O-C 3.57Å; A371-F375 WeakPolarHBondContact O-CA 3.44Å; A371-F375 PolarHBondContact O-N 3.44Å; F375-M377 PolarHBondContact O-N 3.37Å; F375-F378 HydrophobicContact CB-CB 3.72Å; F375-F378 HydrophobicContact CB-CD1 4.48Å; F375-F378 HydrophobicContact CB-CG 4.42Å; F375-F378 WeakPolarHBondContact O-CB 3.44Å; F375-F378 PolarHBondContact O-N 3.08Å; F375-S379 PolarHBondContact O-N 2.93Å | ||
| 376 | P | 75.7 | Confident | 72.3 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 53% | 0.532 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | -175.2 | 23.7 | -33.3 | 0 | 0 | 0 | 112.7 | R372 F378 S379 F380 | R372-P376 WeakPolarHBondContact O-CA 3.42Å; P376-F378 PolarHBondContact O-N 3.37Å; P376-S379 PolarHBondContact O-N 2.97Å; P376-F380 WeakPolarHBondContact O-CB 3.2Å; P376-F380 PolarHBondContact O-N 3.38Å |
| 377 | M | 76.1 | Confident | 72.8 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.9 | -79 | -73.9 | -88 | 0 | 0 | 112.2 | Y151 F375 F380 F381 | Y151-M377 HydrophobicContact CD1-CE 3.8Å; Y151-M377 HydrophobicContact CD2-CE 4.15Å; Y151-M377 HydrophobicContact CE1-CE 3.76Å; Y151-M377 HydrophobicContact CE2-CE 4.14Å; Y151-M377 HydrophobicContact CG-CE 3.98Å; F375-M377 PolarHBondContact O-N 3.37Å; M377-F380 PolarHBondContact O-N 3.04Å; M377-F381 HydrophobicContact CE-CE2 3.6Å; M377-F381 HydrophobicContact CE-CZ 4.26Å; M377-F381 WeakPolarHBondContact O-CD2 3.46Å; M377-F381 PolarHBondContact O-N 2.94Å; M377-F381 VanDerWaalsContact O-N 3.11Å; M377-F381 HydrophobicContact SD-CE2 3.97Å |
| 378 | F | 79.2 | Confident | 73.6 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 6% | 0.057 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 175.5 | 170.1 | -93.6 | 0 | 0 | 0 | 111 | Y356 L359 A360 F375 P376 F380 F381 E382 | Y356-F378 AromaticContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CD2 3.74Å; Y356-F378 HydrophobicContact CD2-CE2 4.37Å; Y356-F378 AromaticContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CD2 3.61Å; Y356-F378 HydrophobicContact CE2-CE2 4.3Å; Y356-F378 HydrophobicContact CG-CD2 4.32Å; L359-F378 VanDerWaalsContact C-CZ 3.48Å; L359-F378 HydrophobicContact CB-CE1 3.77Å; L359-F378 HydrophobicContact CB-CE2 3.83Å; L359-F378 HydrophobicContact CB-CZ 3.39Å; A360-F378 HydrophobicContact CB-CE2 4.06Å; A360-F378 HydrophobicContact CB-CZ 4.33Å; F375-F378 HydrophobicContact CB-CB 3.72Å; F375-F378 HydrophobicContact CB-CD1 4.48Å; F375-F378 HydrophobicContact CB-CG 4.42Å; F375-F378 WeakPolarHBondContact O-CB 3.44Å; F375-F378 PolarHBondContact O-N 3.08Å; P376-F378 PolarHBondContact O-N 3.37Å; F378-F380 VanDerWaalsContact C-N 3.3Å; F378-F380 PolarHBondContact O-N 3.28Å; F378-F381 PolarHBondContact O-N 3.44Å; F378-E382 HydrophobicContact CD2-CG 4.14Å; F378-E382 HydrophobicContact CE2-CB 4.2Å; F378-E382 HydrophobicContact CE2-CG 3.82Å; F378-E382 HydrophobicContact CZ-CB 4.16Å; F378-E382 HydrophobicContact CZ-CG 4.27Å; F378-E382 WeakPolarHBondContact O-CB 3.29Å; F378-E382 PolarHBondContact O-N 2.82Å |
| 379 | S | 72.4 | Confident | 74.2 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.4 | -47.6 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | F375 P376 C383 | F375-S379 PolarHBondContact O-N 2.93Å; P376-S379 PolarHBondContact O-N 2.97Å; S379-C383 WeakPolarHBondContact O-CB 3.21Å; S379-C383 PolarHBondContact O-N 3.38Å; S379-C383 PolarHBondContact O-SG 2.97Å |
| 380 | F | 80.3 | Confident | 74.8 | Confident | 79 Ų | 79 | 65 Ų | 65 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | -178.6 | 173.6 | -92.9 | 0 | 0 | 0 | 113.3 | W143 K144 L147 P376 M377 F378 | W143-F380 HydrophobicContact CH2-CE1 4.36Å; W143-F380 AromaticContact CH2-CE2 3.86Å; W143-F380 HydrophobicContact CH2-CE2 3.86Å; W143-F380 AromaticContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CH2-CZ 3.31Å; W143-F380 HydrophobicContact CZ2-CE2 4.4Å; W143-F380 AromaticContact CZ2-CZ 3.97Å; W143-F380 HydrophobicContact CZ2-CZ 3.97Å; W143-F380 AromaticContact CZ3-CZ 3.89Å; W143-F380 HydrophobicContact CZ3-CZ 3.89Å; K144-F380 HydrophobicContact CD-CE1 4.49Å; K144-F380 HydrophobicContact CG-CE1 4.45Å; K144-F380 PolarHBondContact NZ-O 3.22Å; L147-F380 HydrophobicContact CD2-CE1 3.68Å; L147-F380 HydrophobicContact CD2-CZ 3.8Å; P376-F380 WeakPolarHBondContact O-CB 3.2Å; P376-F380 PolarHBondContact O-N 3.38Å; M377-F380 PolarHBondContact O-N 3.04Å; F378-F380 VanDerWaalsContact C-N 3.3Å; F378-F380 PolarHBondContact O-N 3.28Å |
| 381 | F | 79.2 | Confident | 75.1 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73 | -34.3 | -177.9 | -73.1 | -52.6 | 0 | 0 | 0 | 113.1 | K144 R223 M377 F378 | K144-F381 HydrophobicContact CB-CD1 4.18Å; K144-F381 HydrophobicContact CB-CE1 4.47Å; K144-F381 WeakPolarHBondContact O-CE1 3.22Å; R223-F381 HydrophobicContact CG-CB 4.38Å; R223-F381 HydrophobicContact CG-CD1 3.91Å; R223-F381 HydrophobicContact CG-CE1 4.47Å; R223-F381 HydrophobicContact CG-CG 4.22Å; R223-F381 PolarHBondContact NE-O 3.06Å; R223-F381 PolarHBondContact NH1-O 2.94Å; R223-F381 PolarHBondContact NH2-O 3.42Å; M377-F381 HydrophobicContact CE-CE2 3.6Å; M377-F381 HydrophobicContact CE-CZ 4.26Å; M377-F381 WeakPolarHBondContact O-CD2 3.46Å; M377-F381 PolarHBondContact O-N 2.94Å; M377-F381 VanDerWaalsContact O-N 3.11Å; M377-F381 HydrophobicContact SD-CE2 3.97Å; F378-F381 PolarHBondContact O-N 3.44Å |
| 382 | E | 80.6 | Confident | 75.7 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -99.2 | -0.4 | -174.9 | -66 | -66.5 | 124.7 | 0 | 0 | 114.2 | R223 R224 Y356 F378 N384 V385 | R223-E382 IonicContact CZ-OE1 2.72Å; R223-E382 IonicContact NE-OE1 3.54Å; R223-E382 IonicContact NH2-OE1 3.34Å; R223-E382 PolarHBondContact NH2-OE1 3.15Å; R224-E382 IonicContact CZ-OE2 2.76Å; R224-E382 IonicContact NE-OE1 3.99Å; R224-E382 PolarHBondContact NE-OE1 2.9Å; R224-E382 VanDerWaalsContact NE-OE1 3.15Å; R224-E382 IonicContact NE-OE2 2.75Å; R224-E382 PolarHBondContact NE-OE2 3.39Å; R224-E382 IonicContact NH2-OE1 2.86Å; R224-E382 IonicContact NH2-OE2 3.42Å; R224-E382 PolarHBondContact NH2-OE2 3.1Å; Y356-E382 PolarHBondContact OH-OE1 3.03Å; F378-E382 HydrophobicContact CD2-CG 4.14Å; F378-E382 HydrophobicContact CE2-CB 4.2Å; F378-E382 HydrophobicContact CE2-CG 3.82Å; F378-E382 HydrophobicContact CZ-CB 4.16Å; F378-E382 HydrophobicContact CZ-CG 4.27Å; F378-E382 WeakPolarHBondContact O-CB 3.29Å; F378-E382 PolarHBondContact O-N 2.82Å; E382-N384 PolarHBondContact O-N 3.14Å; E382-V385 PolarHBondContact O-N 3.34Å; E382-V385 WeakPolarHBondContact OE2-CB 3.36Å; E382-V385 WeakPolarHBondContact OE2-CG1 3.49Å |
| 383 | C | 68.9 | Low | 76.2 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 47% | 0.473 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -34.5 | 179 | -93.7 | 0 | 0 | 0 | 0 | 115.2 | S379 | S379-C383 WeakPolarHBondContact O-CB 3.21Å; S379-C383 PolarHBondContact O-N 3.38Å; S379-C383 PolarHBondContact O-SG 2.97Å |
| 384 | N | 67 | Low | 76.3 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 0.8 | -174.6 | -65.9 | -28 | 0 | 0 | 0 | 113.6 | E141 K144 E382 | E141-N384 PolarHBondContact OE1-ND2 3.36Å; K144-N384 PolarHBondContact NZ-ND2 3.13Å; E382-N384 PolarHBondContact O-N 3.14Å |
| 385 | V | 71.7 | Confident | 76.3 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | trans | -102.4 | 104.2 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | L138 I220 Q366 E382 G387 V389 | L138-V385 HydrophobicContact CD2-CG1 3.82Å; L138-V385 HydrophobicContact CD2-CG2 4.49Å; I220-V385 HydrophobicContact CD1-CG2 4.05Å; I220-V385 HydrophobicContact CG1-CG2 4.48Å; I220-V385 HydrophobicContact CG2-CG2 4.3Å; Q366-V385 PolarHBondContact NE2-O 3.4Å; Q366-V385 PolarHBondContact OE1-O 3.35Å; E382-V385 PolarHBondContact O-N 3.34Å; E382-V385 WeakPolarHBondContact OE2-CB 3.36Å; E382-V385 WeakPolarHBondContact OE2-CG1 3.49Å; V385-G387 PolarHBondContact O-N 3.06Å; V385-V389 HydrophobicContact CG1-CG2 4.45Å | ||
| 386 | N | 64.8 | Low | 76.1 | Confident | 62 Ų | 62 | 43.9 Ų | 43.9 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | trans | -98.8 | 81.3 | -171 | -70.9 | -61 | 0 | 0 | 0 | 112.4 | R363 | R363-N386 PolarHBondContact NH2-O 3.02Š| ||
| 387 | G | 69.9 | Low | 76 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 105.2 | -167.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V385 | V385-G387 PolarHBondContact O-N 3.06Š|
| 388 | P | 77.4 | Confident | 75.5 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 59% | 0.591 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -66 | 137.7 | -175.3 | 27 | -33.9 | 0 | 0 | 0 | 111.3 | N361 | N361-P388 WeakPolarHBondContact OD1-CA 3.47Š|
| 389 | V | 81.1 | Confident | 74.5 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.085 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 125.1 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | L138 H217 I220 L221 Y308 V385 | L138-V389 HydrophobicContact CD2-CG2 4.11Å; H217-V389 HydrophobicContact CB-CG1 3.88Å; I220-V389 HydrophobicContact CG2-CG2 3.99Å; L221-V389 HydrophobicContact CD1-CG1 4.06Å; Y308-V389 HydrophobicContact CE1-CB 4.31Å; V385-V389 HydrophobicContact CG1-CG2 4.45Å |
| 390 | P | 81.1 | Confident | 74.2 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 29% | 0.292 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 139.8 | 177.6 | 30.4 | -34.5 | 0 | 0 | 0 | 110.3 | H215 E392 | H215-P390 PolarHBondContact CE1-O 3.23Å; H215-P390 PolarHBondContact NE2-O 3.47Å; P390-E392 HydrophobicContact CB-CG 4.18Å; P390-E392 HydrophobicContact CG-CG 4.39Å; P390-E392 PolarHBondContact O-N 3.14Å |
| 391 | N | 81.7 | Confident | 73.5 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | trans | -78 | 66.8 | 177.7 | -69.1 | -7.4 | 0 | 0 | 0 | 110.2 | E307 Y308 T309 Y393 | E307-N391 PolarHBondContact O-ND2 3.4Å; E307-N391 VanDerWaalsContact O-ND2 3.07Å; Y308-N391 PolarHBondContact O-OD1 3.5Å; T309-N391 PolarHBondContact O-ND2 3.45Å; N391-Y393 HydrophobicContact CB-CE2 4.31Å | ||
| 392 | E | 82.2 | Confident | 72.9 | Confident | 60 Ų | 60 | 67 Ų | 67 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | trans | -97.8 | 128.5 | 177.4 | -71.5 | 179.2 | -158.9 | 0 | 0 | 110.6 | K216 P390 | K216-E392 HydrophobicContact CB-CB 4.16Å; K216-E392 VanDerWaalsContact CB-O 3.3Å; K216-E392 WeakPolarHBondContact CB-O 3.48Å; K216-E392 HydrophobicContact CD-CB 4.04Å; K216-E392 WeakPolarHBondContact CD-OE2 3.48Å; K216-E392 PolarHBondContact N-O 3.2Å; K216-E392 IonicContact NZ-OE2 3.18Å; K216-E392 PolarHBondContact NZ-OE2 3.16Å; P390-E392 HydrophobicContact CB-CG 4.18Å; P390-E392 HydrophobicContact CG-CG 4.39Å; P390-E392 PolarHBondContact O-N 3.14Å | ||
| 393 | Y | 80.8 | Confident | 72.3 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 8% | 0.075 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -109.6 | 142.1 | -178.4 | -71.9 | -101 | 0 | 0 | 0 | 110.4 | V211 L214 H215 Y308 T309 P310 W313 N391 | V211-Y393 HydrophobicContact CG1-CE1 4.39Å; L214-Y393 HydrophobicContact CB-CD1 3.75Å; L214-Y393 HydrophobicContact CB-CE1 4.31Å; L214-Y393 CarbonylContact O-C 3.59Å; L214-Y393 VanDerWaalsContact O-CA 3.31Å; L214-Y393 WeakPolarHBondContact O-CA 3.07Å; H215-Y393 AromaticContact CD2-CZ 3.94Å; Y308-Y393 PolarHBondContact O-OH 3.42Å; T309-Y393 VanDerWaalsContact CA-OH 3.29Å; T309-Y393 WeakPolarHBondContact CA-OH 3.47Å; T309-Y393 WeakPolarHBondContact CG2-OH 3.27Å; P310-Y393 HydrophobicContact CG-CD2 4.16Å; P310-Y393 HydrophobicContact CG-CE2 3.73Å; W313-Y393 HydrophobicContact CH2-CD1 4.29Å; W313-Y393 HydrophobicContact CH2-CE1 4.19Å; W313-Y393 HydrophobicContact CZ3-CE1 4.18Å; N391-Y393 HydrophobicContact CB-CE2 4.31Å |
| 394 | C | 78.3 | Confident | 71.9 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 37% | 0.372 | 38% | 0.378 | S | S | . | . | trans | -143.9 | 131.6 | -179.8 | -74.6 | 0 | 0 | 0 | 0 | 109 | L214 K216 P396 | L214-C394 PolarHBondContact O-N 3.01Å; L214-C394 VanDerWaalsContact O-O 3.04Å; K216-C394 HydrophobicContact CB-CB 4.44Å; C394-P396 WeakPolarHBondContact O-CD 3.45Å | ||
| 395 | W | 76.5 | Confident | 71.7 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 16% | 0.163 | 39% | 0.394 | C | S | . | . | trans | -67.5 | 119.6 | 174.8 | -178.4 | -108.9 | 0 | 0 | 0 | 110.6 | L214 F397 R399 M403 K404 I407 | L214-W395 HydrophobicContact CD2-CE3 3.61Å; L214-W395 HydrophobicContact CD2-CZ3 3.81Å; W395-F397 AromaticContact CE2-CD2 3.91Å; W395-F397 HydrophobicContact CH2-CD2 4.11Å; W395-F397 HydrophobicContact CZ2-CB 4.28Å; W395-F397 AromaticContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CG 4.41Å; W395-F397 PolarHBondContact NE1-O 3.15Å; W395-F397 PolarHBondContact O-N 3.21Å; W395-R399 PolarHBondContact NE1-O 3.09Å; W395-M403 HydrophobicContact CB-CB 4.4Å; W395-M403 HydrophobicContact CD2-CB 3.43Å; W395-M403 VanDerWaalsContact CD2-CB 3.43Å; W395-M403 HydrophobicContact CD2-CG 4.08Å; W395-M403 HydrophobicContact CD2-SD 4.48Å; W395-M403 HydrophobicContact CE3-CB 3.69Å; W395-M403 HydrophobicContact CE3-CG 4.06Å; W395-M403 HydrophobicContact CE3-SD 3.85Å; W395-M403 HydrophobicContact CG-CB 3.75Å; W395-M403 HydrophobicContact CH2-CB 4.41Å; W395-M403 HydrophobicContact CH2-CE 3.45Å; W395-M403 VanDerWaalsContact CH2-CE 3.45Å; W395-M403 HydrophobicContact CH2-CG 3.99Å; W395-M403 HydrophobicContact CH2-SD 3.79Å; W395-M403 HydrophobicContact CZ2-CB 4.19Å; W395-M403 HydrophobicContact CZ2-CE 4.2Å; W395-M403 HydrophobicContact CZ2-CG 4Å; W395-M403 HydrophobicContact CZ2-SD 4.41Å; W395-M403 HydrophobicContact CZ3-CB 4.17Å; W395-M403 HydrophobicContact CZ3-CE 3.66Å; W395-M403 HydrophobicContact CZ3-CG 4.01Å; W395-M403 HydrophobicContact CZ3-SD 3.46Å; W395-M403 WeakPolarHBondContact CZ3-SD 3.03Å; W395-K404 HydrophobicContact CB-CG 3.77Å; W395-K404 HydrophobicContact CG-CG 4.17Å; W395-I407 HydrophobicContact CE3-CD1 3.67Å; W395-I407 HydrophobicContact CZ3-CD1 4.15Å | ||
| 396 | P | 72.7 | Confident | 71.2 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 32% | 0.318 | 43% | 0.431 | S | S | . | . | trans | -78.7 | -16.1 | -170.5 | 30.5 | -36 | 0 | 0 | 0 | 113.8 | L213 C394 | L213-P396 WeakPolarHBondContact O-CG 3.45Å; C394-P396 WeakPolarHBondContact O-CD 3.45Å | ||
| 397 | F | 73.3 | Confident | 71 | Confident | 118 Ų | 118 | 83.9 Ų | 83.9 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -98.5 | 152.7 | -175.8 | -56.5 | -77.6 | 0 | 0 | 0 | 112.9 | W395 R399 K404 | W395-F397 AromaticContact CE2-CD2 3.91Å; W395-F397 HydrophobicContact CH2-CD2 4.11Å; W395-F397 HydrophobicContact CZ2-CB 4.28Å; W395-F397 AromaticContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CD2 3.64Å; W395-F397 HydrophobicContact CZ2-CG 4.41Å; W395-F397 PolarHBondContact NE1-O 3.15Å; W395-F397 PolarHBondContact O-N 3.21Å; F397-R399 WeakPolarHBondContact CB-O 3.5Å; F397-R399 PolarHBondContact O-N 3.25Å; F397-K404 WeakPolarHBondContact O-CE 3Å |
| 398 | S | 66.7 | Low | 70.2 | Confident | 101 Ų | 101 | 88 Ų | 88 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -65.5 | -29.1 | 179.5 | -44.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 399 | R | 58.5 | Low | 69.8 | Low | 212 Ų | 212 | 87.8 Ų | 87.8 | 80% | 0.8 | 46% | 0.461 | S | S | * | . | trans | -138.2 | 155.5 | 178.8 | -64.2 | -176.1 | -180 | -176.7 | 0 | 109.4 | W395 F397 | W395-R399 PolarHBondContact NE1-O 3.09Å; F397-R399 WeakPolarHBondContact CB-O 3.5Å; F397-R399 PolarHBondContact O-N 3.25Å | ||
| 400 | P | 66.6 | Low | 69.2 | Low | 72 Ų | 72 | 91.7 Ų | 91.7 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | cis | -77.7 | 144.5 | -8.4 | 30.6 | -31.6 | 0 | 0 | 0 | 112.4 | M402 M403 | P400-M402 PolarHBondContact O-N 3.5Å; P400-M403 HydrophobicContact CG-CB 4.45Å; P400-M403 HydrophobicContact CG-CG 3.87Å; P400-M403 PolarHBondContact O-N 3.32Å | ||
| 401 | T | 65.3 | Low | 68.5 | Low | 100 Ų | 100 | 94.3 Ų | 94.3 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.3 | -20.9 | 179.9 | 40.1 | 0 | 0 | 0 | 0 | 113.7 | K404 | T401-K404 WeakPolarHBondContact O-CB 3.35Å; T401-K404 PolarHBondContact O-N 3.33Å |
| 402 | M | 66.2 | Low | 67.8 | Low | 140 Ų | 140 | 96.4 Ų | 96.4 | 69% | 0.69 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -39.9 | 174.7 | -70.5 | -68.6 | -105.6 | 0 | 0 | 112.1 | P400 K404 R405 L406 | P400-M402 PolarHBondContact O-N 3.5Å; M402-K404 VanDerWaalsContact C-N 3.25Å; M402-K404 PolarHBondContact O-N 3.13Å; M402-R405 PolarHBondContact O-N 3Å; M402-L406 PolarHBondContact O-N 2.65Å |
| 403 | M | 67.3 | Low | 66.9 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -31.2 | 176.3 | -74.5 | -94.8 | -150.5 | 0 | 0 | 112.2 | W395 P400 R405 L406 I407 | W395-M403 HydrophobicContact CB-CB 4.4Å; W395-M403 HydrophobicContact CD2-CB 3.43Å; W395-M403 VanDerWaalsContact CD2-CB 3.43Å; W395-M403 HydrophobicContact CD2-CG 4.08Å; W395-M403 HydrophobicContact CD2-SD 4.48Å; W395-M403 HydrophobicContact CE3-CB 3.69Å; W395-M403 HydrophobicContact CE3-CG 4.06Å; W395-M403 HydrophobicContact CE3-SD 3.85Å; W395-M403 HydrophobicContact CG-CB 3.75Å; W395-M403 HydrophobicContact CH2-CB 4.41Å; W395-M403 HydrophobicContact CH2-CE 3.45Å; W395-M403 VanDerWaalsContact CH2-CE 3.45Å; W395-M403 HydrophobicContact CH2-CG 3.99Å; W395-M403 HydrophobicContact CH2-SD 3.79Å; W395-M403 HydrophobicContact CZ2-CB 4.19Å; W395-M403 HydrophobicContact CZ2-CE 4.2Å; W395-M403 HydrophobicContact CZ2-CG 4Å; W395-M403 HydrophobicContact CZ2-SD 4.41Å; W395-M403 HydrophobicContact CZ3-CB 4.17Å; W395-M403 HydrophobicContact CZ3-CE 3.66Å; W395-M403 HydrophobicContact CZ3-CG 4.01Å; W395-M403 HydrophobicContact CZ3-SD 3.46Å; W395-M403 WeakPolarHBondContact CZ3-SD 3.03Å; P400-M403 HydrophobicContact CG-CB 4.45Å; P400-M403 HydrophobicContact CG-CG 3.87Å; P400-M403 PolarHBondContact O-N 3.32Å; M403-R405 VanDerWaalsContact C-N 3.29Å; M403-R405 PolarHBondContact O-N 3.34Å; M403-L406 PolarHBondContact O-N 3.19Å; M403-I407 HydrophobicContact CB-CD1 4.42Å; M403-I407 WeakPolarHBondContact O-CB 3.48Å; M403-I407 PolarHBondContact O-N 2.94Å; M403-I407 VanDerWaalsContact O-N 3.13Å; M403-I407 HydrophobicContact SD-CD1 3.82Å |
| 404 | K | 61.5 | Low | 65.9 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 43% | 0.426 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -31.4 | 176.1 | -76.2 | -179.9 | 177.1 | -176.6 | 0 | 113.2 | W395 F397 T401 M402 G408 | W395-K404 HydrophobicContact CB-CG 3.77Å; W395-K404 HydrophobicContact CG-CG 4.17Å; F397-K404 WeakPolarHBondContact O-CE 3Å; T401-K404 WeakPolarHBondContact O-CB 3.35Å; T401-K404 PolarHBondContact O-N 3.33Å; M402-K404 VanDerWaalsContact C-N 3.25Å; M402-K404 PolarHBondContact O-N 3.13Å; K404-G408 PolarHBondContact O-N 3.06Å; K404-G408 VanDerWaalsContact O-OXT 3.07Å |
| 405 | R | 61.9 | Low | 65 | Low | 217 Ų | 217 | 107.4 Ų | 107.4 | 82% | 0.819 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -85.4 | -19.7 | 177.2 | -79.7 | -174.3 | -177.8 | 169.6 | 0.5 | 113.9 | M402 M403 | M402-R405 PolarHBondContact O-N 3Å; M403-R405 VanDerWaalsContact C-N 3.29Å; M403-R405 PolarHBondContact O-N 3.34Å |
| 406 | L | 60.7 | Low | 64.2 | Low | 150 Ų | 150 | 112.4 Ų | 112.4 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -92.3 | -27.8 | -174.6 | -139 | 149.7 | 0 | 0 | 0 | 111.3 | M402 M403 | M402-L406 PolarHBondContact O-N 2.65Å; M403-L406 PolarHBondContact O-N 3.19Å |
| 407 | I | 62.1 | Low | 63.5 | Low | 40 Ų | 40 | 117.7 Ų | 117.7 | 21% | 0.205 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -109.4 | -29.1 | -174.3 | -63.9 | 168.7 | 0 | 0 | 0 | 112.5 | L214 W395 M403 | L214-I407 HydrophobicContact CD1-CD1 4.37Å; L214-I407 HydrophobicContact CD2-CD1 4.11Å; W395-I407 HydrophobicContact CE3-CD1 3.67Å; W395-I407 HydrophobicContact CZ3-CD1 4.15Å; M403-I407 HydrophobicContact CB-CD1 4.42Å; M403-I407 WeakPolarHBondContact O-CB 3.48Å; M403-I407 PolarHBondContact O-N 2.94Å; M403-I407 VanDerWaalsContact O-N 3.13Å; M403-I407 HydrophobicContact SD-CD1 3.82Å |
| 408 | G | 51.6 | Low | 62.6 | Low | 88 Ų | 88 | 117.6 Ų | 117.6 | 91% | 0.907 | 62% | 0.618 | S | S | * | * | trans | -118 | 0 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K404 | K404-G408 PolarHBondContact O-N 3.06Å; K404-G408 VanDerWaalsContact O-OXT 3.07Å |
Retrieved 408 of 408 residues in 791.9 ms
(Link to these results)