| 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 | 41.8 | Very low | 62 | Low | 208 Ų | 208 | 85.3 Ų | 85.3 | 100% | 1.025 | 47% | 0.472 | S | S | * | . | 0 | 114.9 | 0 | -87.9 | 179.7 | -102.9 | 0 | 0 | 107.1 | |||||
| 2 | S | 50.2 | Low | 64.1 | Low | 69 Ų | 69 | 79 Ų | 79 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | trans | -60.3 | 145.6 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | D4 E5 | S2-D4 PolarHBondContact O-N 3.18Å; S2-E5 PolarHBondContact O-N 3.31Å; S2-E5 VanDerWaalsContact O-N 3.08Å | ||
| 3 | A | 53.2 | Low | 65.8 | Low | 35 Ų | 35 | 79.2 Ų | 79.2 | 29% | 0.289 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | W6 L29 | A3-W6 PolarHBondContact O-NE1 2.88Å; A3-L29 HydrophobicContact CB-CD1 4.23Å |
| 4 | D | 56 | Low | 67.5 | Low | 86 Ų | 86 | 83.9 Ų | 83.9 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -20.3 | 179.2 | -79.7 | -53.6 | 0 | 0 | 0 | 115.5 | S2 R22 | S2-D4 PolarHBondContact O-N 3.18Å; D4-R22 PolarHBondContact O-NH2 3.38Å; D4-R22 IonicContact OD1-CZ 3.75Å; D4-R22 IonicContact OD1-NH2 3.98Å; D4-R22 PolarHBondContact OD1-NH2 3Å |
| 5 | E | 61.1 | Low | 69.2 | Low | 146 Ų | 146 | 79.1 Ų | 79.1 | 68% | 0.682 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -28.8 | -173.6 | -83.7 | -178.6 | 139.8 | 0 | 0 | 114 | S2 | S2-E5 PolarHBondContact O-N 3.31Å; S2-E5 VanDerWaalsContact O-N 3.08Å |
| 6 | W | 63.6 | Low | 70.7 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 14% | 0.144 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -79.2 | -26.5 | -169.7 | 72.8 | -83.8 | 0 | 0 | 0 | 112.9 | A3 S8 V25 L29 P37 V53 | A3-W6 PolarHBondContact O-NE1 2.88Å; W6-S8 PolarHBondContact O-N 2.98Å; W6-V25 HydrophobicContact CH2-CG1 4Å; W6-V25 HydrophobicContact CZ2-CG1 3.48Å; W6-V25 VanDerWaalsContact CZ2-CG1 3.48Å; W6-L29 HydrophobicContact CZ2-CD1 4.22Å; W6-P37 VanDerWaalsContact CD1-CG 3.49Å; W6-P37 HydrophobicContact CD2-CB 3.31Å; W6-P37 HydrophobicContact CD2-CG 3.32Å; W6-P37 HydrophobicContact CE3-CB 3.52Å; W6-P37 HydrophobicContact CE3-CG 4.01Å; W6-P37 HydrophobicContact CG-CB 4.12Å; W6-P37 HydrophobicContact CG-CG 3.57Å; W6-P37 HydrophobicContact CH2-CB 3.15Å; W6-P37 HydrophobicContact CH2-CG 4.22Å; W6-P37 HydrophobicContact CZ2-CB 2.93Å; W6-P37 HydrophobicContact CZ2-CG 3.6Å; W6-P37 HydrophobicContact CZ3-CB 3.45Å; W6-P37 VanDerWaalsContact CZ3-CB 3.45Å; W6-P37 HydrophobicContact CZ3-CG 4.41Å; W6-V53 HydrophobicContact CH2-CG1 3.58Å; W6-V53 HydrophobicContact CZ3-CG1 4Å |
| 7 | I | 65.7 | Low | 72 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | trans | -81.8 | 76 | 172.4 | -49.8 | -173.3 | 0 | 0 | 0 | 108.7 | A9 L12 R22 V25 | I7-A9 PolarHBondContact O-N 2.98Å; I7-L12 HydrophobicContact CG2-CD1 3.22Å; I7-L12 HydrophobicContact CG2-CD2 4.21Å; I7-L12 HydrophobicContact CG2-CG 3.4Å; I7-L12 VanDerWaalsContact CG2-CG 3.4Å; I7-R22 HydrophobicContact CD1-CB 4.4Å; I7-R22 HydrophobicContact CD1-CG 4.22Å; I7-V25 HydrophobicContact CD1-CG1 4.33Å | ||
| 8 | S | 66.5 | Low | 73.2 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 44% | 0.441 | 43% | 0.433 | S | S | . | . | trans | -57.9 | 140.9 | 164.3 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | W6 K10 C11 | W6-S8 PolarHBondContact O-N 2.98Å; S8-K10 PolarHBondContact O-N 3.44Å; S8-K10 PolarHBondContact OG-N 3.29Å; S8-C11 WeakPolarHBondContact O-CB 3.4Å; S8-C11 PolarHBondContact O-N 2.78Å | ||
| 9 | A | 67.4 | Low | 74.1 | Confident | 87 Ų | 87 | 82 Ų | 82 | 72% | 0.719 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -49.3 | -26.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I7 C11 L12 A13 | I7-A9 PolarHBondContact O-N 2.98Å; A9-C11 PolarHBondContact O-N 2.95Å; A9-L12 PolarHBondContact O-N 3.5Å; A9-A13 PolarHBondContact O-N 3.23Å; A9-A13 VanDerWaalsContact O-N 3.16Å |
| 10 | K | 74.9 | Confident | 75.1 | Confident | 179 Ų | 179 | 80 Ų | 80 | 78% | 0.778 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.4 | -32.8 | 175.1 | -162.9 | 173.5 | -176.9 | 178 | 0 | 114.1 | S8 | S8-K10 PolarHBondContact O-N 3.44Å; S8-K10 PolarHBondContact OG-N 3.29Å |
| 11 | C | 81.9 | Confident | 76 | Confident | 21 Ų | 21 | 76.1 Ų | 76.1 | 14% | 0.142 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -73.6 | -36 | 179.4 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | S8 A9 F39 | S8-C11 WeakPolarHBondContact O-CB 3.4Å; S8-C11 PolarHBondContact O-N 2.78Å; A9-C11 PolarHBondContact O-N 2.95Å; C11-F39 HydrophobicContact CB-CD1 4.35Å; C11-F39 HydrophobicContact CB-CD2 3.96Å; C11-F39 HydrophobicContact CB-CE2 4.17Å; C11-F39 HydrophobicContact CB-CG 4.06Å; C11-F39 HydrophobicContact CB-CZ 4.46Å; C11-F39 WeakPolarHBondContact O-CE2 3.22Å |
| 12 | L | 87.1 | Confident | 78.4 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -90.1 | -1.4 | -179 | -66.9 | -177.6 | 0 | 0 | 0 | 114.3 | I7 A9 K14 Y15 P18 V21 R22 V53 | I7-L12 HydrophobicContact CG2-CD1 3.22Å; I7-L12 HydrophobicContact CG2-CD2 4.21Å; I7-L12 HydrophobicContact CG2-CG 3.4Å; I7-L12 VanDerWaalsContact CG2-CG 3.4Å; A9-L12 PolarHBondContact O-N 3.5Å; L12-K14 PolarHBondContact O-N 2.88Å; L12-Y15 HydrophobicContact CD2-CD2 3.81Å; L12-Y15 HydrophobicContact CD2-CE2 4.1Å; L12-Y15 HydrophobicContact CD2-CG 4.14Å; L12-Y15 PolarHBondContact O-N 3.46Å; L12-P18 HydrophobicContact CB-CB 3.75Å; L12-P18 HydrophobicContact CD1-CB 4.05Å; L12-P18 WeakPolarHBondContact CD1-O 3.28Å; L12-P18 HydrophobicContact CG-CB 4.49Å; L12-V21 HydrophobicContact CD2-CB 4.08Å; L12-V21 HydrophobicContact CD2-CG1 3.59Å; L12-R22 HydrophobicContact CD1-CB 4.15Å; L12-V53 HydrophobicContact CD2-CG2 3.82Å |
| 13 | A | 86.2 | Confident | 80.5 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 68% | 0.678 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | A9 | A9-A13 PolarHBondContact O-N 3.23Å; A9-A13 VanDerWaalsContact O-N 3.16Å |
| 14 | K | 89.1 | Confident | 82.4 | Confident | 144 Ų | 144 | 72.3 Ų | 72.3 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.7 | 178.2 | -64.4 | -172.7 | 175.8 | -172.5 | 0 | 114.3 | L12 E78 | L12-K14 PolarHBondContact O-N 2.88Å; K14-E78 HydrophobicContact CB-CG 4.21Å |
| 15 | Y | 93 | Very high | 84.2 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | trans | -81.9 | 140.1 | -177.7 | -74.6 | -103.3 | 0 | 0 | 0 | 110.4 | L12 Y17 V21 V53 L76 F77 E78 | L12-Y15 HydrophobicContact CD2-CD2 3.81Å; L12-Y15 HydrophobicContact CD2-CE2 4.1Å; L12-Y15 HydrophobicContact CD2-CG 4.14Å; L12-Y15 PolarHBondContact O-N 3.46Å; Y15-Y17 VanDerWaalsContact C-N 3.31Å; Y15-Y17 PolarHBondContact O-N 3.34Å; Y15-V21 HydrophobicContact CD1-CG2 3.58Å; Y15-V21 HydrophobicContact CE1-CG2 4.18Å; Y15-V21 HydrophobicContact CG-CG2 4.21Å; Y15-V53 HydrophobicContact CE2-CG2 3.97Å; Y15-V53 PolarHBondContact OH-N 3.45Å; Y15-L76 HydrophobicContact CE1-CB 4.2Å; Y15-L76 WeakPolarHBondContact CE1-O 3.42Å; Y15-L76 PolarHBondContact OH-O 2.92Å; Y15-F77 WeakPolarHBondContact CD1-O 3.23Å; Y15-F77 WeakPolarHBondContact CE1-O 3.22Å; Y15-E78 WeakPolarHBondContact CA-O 3.33Å | ||
| 16 | T | 93.4 | Very high | 85.7 | Confident | 89 Ų | 89 | 62 Ų | 62 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -67.5 | -35.3 | 176.9 | -50.2 | 0 | 0 | 0 | 0 | 111.5 | P18 E78 | T16-P18 VanDerWaalsContact C-CD 3.5Å; T16-P18 WeakPolarHBondContact O-CD 3.37Å; T16-E78 PolarHBondContact N-O 2.91Å |
| 17 | Y | 93.8 | Very high | 87.2 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 37% | 0.365 | 33% | 0.334 | S | S | . | . | trans | -125.4 | 65.2 | -175.7 | -52.2 | -80.5 | 0 | 0 | 0 | 112.1 | Y15 Q19 I20 V21 H82 | Y15-Y17 VanDerWaalsContact C-N 3.31Å; Y15-Y17 PolarHBondContact O-N 3.34Å; Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 2.98Å; Y17-I20 HydrophobicContact CD1-CD1 4.37Å; Y17-I20 HydrophobicContact CG-CD1 4.32Å; Y17-I20 PolarHBondContact O-N 3.4Å; Y17-I20 VanDerWaalsContact O-N 3.12Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 2.92Å; Y17-V21 VanDerWaalsContact O-N 3.16Å; Y17-H82 AromaticContact CD2-CD2 3.97Å; Y17-H82 AromaticContact CE2-CD2 3.34Å; Y17-H82 WeakPolarHBondContact CE2-CD2 3.47Å; Y17-H82 AromaticContact CE2-NE2 3.92Å; Y17-H82 AromaticContact CZ-CD2 3.68Å; Y17-H82 AromaticContact CZ-NE2 3.77Å | ||
| 18 | P | 92.5 | Very high | 88.6 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -33.3 | -170.7 | 26.9 | -36.2 | 0 | 0 | 0 | 112.9 | L12 T16 R22 | L12-P18 HydrophobicContact CB-CB 3.75Å; L12-P18 HydrophobicContact CD1-CB 4.05Å; L12-P18 WeakPolarHBondContact CD1-O 3.28Å; L12-P18 HydrophobicContact CG-CB 4.49Å; T16-P18 VanDerWaalsContact C-CD 3.5Å; T16-P18 WeakPolarHBondContact O-CD 3.37Å; P18-R22 WeakPolarHBondContact O-CB 3.43Å; P18-R22 PolarHBondContact O-N 3.44Å |
| 19 | Q | 91.4 | Very high | 89.9 | Confident | 145 Ų | 145 | 60.8 Ų | 60.8 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68 | -37.1 | 179.1 | -60.1 | -59.2 | -14.6 | 0 | 0 | 112.3 | Y17 R23 | Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 2.98Å; Q19-R23 WeakPolarHBondContact O-CB 3.35Å; Q19-R23 PolarHBondContact O-N 3.48Å |
| 20 | I | 93.5 | Very high | 91.2 | Very high | 41 Ų | 41 | 64 Ų | 64 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.5 | -46.9 | 177.8 | -56 | 180 | 0 | 0 | 0 | 109.5 | Y17 R22 R23 D24 Y80 P81 | Y17-I20 HydrophobicContact CD1-CD1 4.37Å; Y17-I20 HydrophobicContact CG-CD1 4.32Å; Y17-I20 PolarHBondContact O-N 3.4Å; Y17-I20 VanDerWaalsContact O-N 3.12Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.87Å; I20-R23 PolarHBondContact O-N 2.91Å; I20-R23 VanDerWaalsContact O-N 3.16Å; I20-D24 WeakPolarHBondContact CG2-OD2 3.39Å; I20-D24 WeakPolarHBondContact O-CB 3.49Å; I20-D24 VanDerWaalsContact O-CG 3.28Å; I20-D24 PolarHBondContact O-N 3.28Å; I20-Y80 HydrophobicContact CG2-CE1 4.5Å; I20-P81 HydrophobicContact CD1-CG 4.07Å; I20-P81 HydrophobicContact CG2-CB 4.27Å; I20-P81 HydrophobicContact CG2-CG 3.92Å |
| 21 | V | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.7 | -50 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | L12 Y15 Y17 R23 D24 V25 L76 Y80 | L12-V21 HydrophobicContact CD2-CB 4.08Å; L12-V21 HydrophobicContact CD2-CG1 3.59Å; Y15-V21 HydrophobicContact CD1-CG2 3.58Å; Y15-V21 HydrophobicContact CE1-CG2 4.18Å; Y15-V21 HydrophobicContact CG-CG2 4.21Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 2.92Å; Y17-V21 VanDerWaalsContact O-N 3.16Å; V21-R23 PolarHBondContact O-N 2.92Å; V21-D24 PolarHBondContact O-N 3.33Å; V21-V25 HydrophobicContact CG1-CG2 4.22Å; V21-V25 VanDerWaalsContact O-CB 3.25Å; V21-V25 WeakPolarHBondContact O-CB 3.35Å; V21-V25 WeakPolarHBondContact O-CG2 3.32Å; V21-V25 PolarHBondContact O-N 2.91Å; V21-L76 HydrophobicContact CG1-CD1 3.95Å; V21-Y80 HydrophobicContact CB-CD1 4.47Å; V21-Y80 HydrophobicContact CG2-CD1 3.67Å; V21-Y80 HydrophobicContact CG2-CE1 4.44Å |
| 22 | R | 92.4 | Very high | 92.9 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 178.8 | -178.9 | 178.1 | -177.3 | 112.8 | 9.3 | 111.5 | D4 I7 L12 P18 I20 T26 | D4-R22 PolarHBondContact O-NH2 3.38Å; D4-R22 IonicContact OD1-CZ 3.75Å; D4-R22 IonicContact OD1-NH2 3.98Å; D4-R22 PolarHBondContact OD1-NH2 3Å; I7-R22 HydrophobicContact CD1-CB 4.4Å; I7-R22 HydrophobicContact CD1-CG 4.22Å; L12-R22 HydrophobicContact CD1-CB 4.15Å; P18-R22 WeakPolarHBondContact O-CB 3.43Å; P18-R22 PolarHBondContact O-N 3.44Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.87Å; R22-T26 VanDerWaalsContact O-CB 3.26Å; R22-T26 WeakPolarHBondContact O-CB 3.34Å; R22-T26 PolarHBondContact O-N 2.89Å; R22-T26 PolarHBondContact O-OG1 3.48Å |
| 23 | R | 93.1 | Very high | 93.2 | Very high | 144 Ų | 144 | 66.5 Ų | 66.5 | 54% | 0.543 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.8 | -52.8 | -179.3 | -176.3 | -168.3 | 69.1 | 121 | 2 | 111.2 | Q19 I20 V21 V25 T26 C27 | Q19-R23 WeakPolarHBondContact O-CB 3.35Å; Q19-R23 PolarHBondContact O-N 3.48Å; I20-R23 PolarHBondContact O-N 2.91Å; I20-R23 VanDerWaalsContact O-N 3.16Å; V21-R23 PolarHBondContact O-N 2.92Å; R23-V25 PolarHBondContact O-N 2.91Å; R23-T26 PolarHBondContact O-N 3.39Å; R23-C27 PolarHBondContact O-N 3.46Å; R23-C27 PolarHBondContact O-SG 3.26Å |
| 24 | D | 94.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | -173.8 | -65.9 | 2.7 | 0 | 0 | 0 | 111.2 | I20 V21 C27 A28 Y80 L124 | I20-D24 WeakPolarHBondContact CG2-OD2 3.39Å; I20-D24 WeakPolarHBondContact O-CB 3.49Å; I20-D24 VanDerWaalsContact O-CG 3.28Å; I20-D24 PolarHBondContact O-N 3.28Å; V21-D24 PolarHBondContact O-N 3.33Å; D24-C27 PolarHBondContact O-N 3.48Å; D24-A28 WeakPolarHBondContact O-CB 3.37Å; D24-A28 PolarHBondContact O-N 3.31Å; D24-Y80 HydrophobicContact CB-CE1 4.22Å; D24-Y80 WeakPolarHBondContact CB-OH 3.28Å; D24-Y80 WeakPolarHBondContact OD2-CE1 3.43Å; D24-Y80 PolarHBondContact OD2-OH 2.79Å; D24-L124 HydrophobicContact CB-CB 4.45Å |
| 25 | V | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | W6 I7 V21 R23 C27 A28 L29 V53 L55 L76 L124 | W6-V25 HydrophobicContact CH2-CG1 4Å; W6-V25 HydrophobicContact CZ2-CG1 3.48Å; W6-V25 VanDerWaalsContact CZ2-CG1 3.48Å; I7-V25 HydrophobicContact CD1-CG1 4.33Å; V21-V25 HydrophobicContact CG1-CG2 4.22Å; V21-V25 VanDerWaalsContact O-CB 3.25Å; V21-V25 WeakPolarHBondContact O-CB 3.35Å; V21-V25 WeakPolarHBondContact O-CG2 3.32Å; V21-V25 PolarHBondContact O-N 2.91Å; R23-V25 PolarHBondContact O-N 2.91Å; V25-C27 VanDerWaalsContact C-N 3.29Å; V25-C27 PolarHBondContact O-N 3.25Å; V25-A28 PolarHBondContact O-N 2.95Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.16Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.36Å; V25-L29 PolarHBondContact O-N 2.97Å; V25-V53 HydrophobicContact CG2-CG1 4.45Å; V25-L55 HydrophobicContact CG1-CD2 3.6Å; V25-L55 HydrophobicContact CG2-CD2 4.42Å; V25-L76 HydrophobicContact CG2-CD1 3.4Å; V25-L124 HydrophobicContact CG2-CD2 4.33Å |
| 26 | T | 92.7 | Very high | 93.9 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 10% | 0.104 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 177.6 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | R22 R23 K30 | R22-T26 VanDerWaalsContact O-CB 3.26Å; R22-T26 WeakPolarHBondContact O-CB 3.34Å; R22-T26 PolarHBondContact O-N 2.89Å; R22-T26 PolarHBondContact O-OG1 3.48Å; R23-T26 PolarHBondContact O-N 3.39Å; T26-K30 HydrophobicContact CG2-CD 4.4Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.32Å; T26-K30 PolarHBondContact O-N 3.47Å; T26-K30 VanDerWaalsContact O-N 3.09Å |
| 27 | C | 94.2 | Very high | 93.9 | Very high | 61 Ų | 61 | 67 Ų | 67 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 174 | -73.2 | 0 | 0 | 0 | 0 | 111.8 | R23 D24 V25 L29 K30 A31 V125 | R23-C27 PolarHBondContact O-N 3.46Å; R23-C27 PolarHBondContact O-SG 3.26Å; D24-C27 PolarHBondContact O-N 3.48Å; V25-C27 VanDerWaalsContact C-N 3.29Å; V25-C27 PolarHBondContact O-N 3.25Å; C27-L29 PolarHBondContact O-N 3.19Å; C27-K30 PolarHBondContact O-N 3.07Å; C27-A31 PolarHBondContact O-N 3.4Å; C27-V125 HydrophobicContact CB-CG2 4.27Å |
| 28 | A | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D24 V25 K30 A31 F32 L55 L124 V125 I128 | D24-A28 WeakPolarHBondContact O-CB 3.37Å; D24-A28 PolarHBondContact O-N 3.31Å; V25-A28 PolarHBondContact O-N 2.95Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.46Å; A28-A31 PolarHBondContact O-N 2.89Å; A28-F32 WeakPolarHBondContact O-CD2 3.34Å; A28-F32 PolarHBondContact O-N 3.41Å; A28-L55 HydrophobicContact CB-CD1 4.02Å; A28-L124 HydrophobicContact CB-CD2 3.84Å; A28-L124 HydrophobicContact CB-CG 4.03Å; A28-V125 HydrophobicContact CB-CG2 4.4Å; A28-I128 HydrophobicContact CB-CD1 4.18Å |
| 29 | L | 94.2 | Very high | 93.8 | Very high | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.7 | -30.5 | 177.5 | -67.8 | 174.6 | 0 | 0 | 0 | 113.1 | A3 W6 V25 C27 L35 P37 L55 | A3-L29 HydrophobicContact CB-CD1 4.23Å; W6-L29 HydrophobicContact CZ2-CD1 4.22Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.16Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.36Å; V25-L29 PolarHBondContact O-N 2.97Å; C27-L29 PolarHBondContact O-N 3.19Å; L29-L35 HydrophobicContact CD2-CB 3.98Å; L29-L35 WeakPolarHBondContact CD2-O 3.5Å; L29-P37 HydrophobicContact CD1-CB 4.11Å; L29-P37 HydrophobicContact CD1-CG 3.83Å; L29-P37 HydrophobicContact CD2-CG 4.5Å; L29-L55 HydrophobicContact CD2-CD2 4.16Å; L29-L55 HydrophobicContact CG-CD2 4.43Å |
| 30 | K | 94.5 | Very high | 93.8 | Very high | 156 Ų | 156 | 61.9 Ų | 61.9 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.8 | -39.5 | 173 | -77.4 | 174.7 | -179.4 | 177.7 | 0 | 111.7 | T26 C27 A28 | T26-K30 HydrophobicContact CG2-CD 4.4Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.32Å; T26-K30 PolarHBondContact O-N 3.47Å; T26-K30 VanDerWaalsContact O-N 3.09Å; C27-K30 PolarHBondContact O-N 3.07Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.46Å |
| 31 | A | 95.8 | Very high | 93.7 | Very high | 57 Ų | 57 | 65.8 Ų | 65.8 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.7 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C27 A28 V125 | C27-A31 PolarHBondContact O-N 3.4Å; A28-A31 PolarHBondContact O-N 2.89Å; A31-V125 HydrophobicContact CB-CG1 4.33Å |
| 32 | F | 95.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | trans | -121.2 | 90.3 | -173.8 | -57 | -77.8 | 0 | 0 | 0 | 111.3 | A28 E34 L35 V125 I128 | A28-F32 WeakPolarHBondContact O-CD2 3.34Å; A28-F32 PolarHBondContact O-N 3.41Å; F32-E34 VanDerWaalsContact C-N 3.26Å; F32-E34 PolarHBondContact O-N 2.93Å; F32-L35 HydrophobicContact CB-CD1 3.76Å; F32-L35 HydrophobicContact CB-CG 3.93Å; F32-L35 HydrophobicContact CG-CD1 4.38Å; F32-L35 WeakPolarHBondContact O-CB 3.38Å; F32-L35 PolarHBondContact O-N 3.42Å; F32-L35 VanDerWaalsContact O-N 3.14Å; F32-V125 HydrophobicContact CE2-CG1 4.21Å; F32-I128 HydrophobicContact CD1-CG2 3.89Å; F32-I128 HydrophobicContact CD2-CB 4.14Å; F32-I128 HydrophobicContact CD2-CD1 3.57Å; F32-I128 HydrophobicContact CD2-CG1 4.45Å; F32-I128 HydrophobicContact CD2-CG2 3.8Å; F32-I128 HydrophobicContact CE1-CB 4.47Å; F32-I128 HydrophobicContact CE1-CG2 3.52Å; F32-I128 HydrophobicContact CE2-CB 3.55Å; F32-I128 HydrophobicContact CE2-CD1 3.75Å; F32-I128 HydrophobicContact CE2-CG1 4.26Å; F32-I128 HydrophobicContact CE2-CG2 3.42Å; F32-I128 VanDerWaalsContact CE2-CG2 3.42Å; F32-I128 HydrophobicContact CG-CD1 4.4Å; F32-I128 HydrophobicContact CG-CG2 4.02Å; F32-I128 HydrophobicContact CZ-CB 3.75Å; F32-I128 HydrophobicContact CZ-CG2 3.28Å | ||
| 33 | K | 93.9 | Very high | 93.6 | Very high | 184 Ų | 184 | 68.2 Ų | 68.2 | 80% | 0.8 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21.8 | -171.5 | -61 | -177.6 | -179.1 | 179 | 0 | 115.2 | L35 | K33-L35 VanDerWaalsContact C-N 3.33Š|
| 34 | E | 94.9 | Very high | 93.3 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9 | 179 | -68 | -61.6 | 140.7 | 0 | 0 | 112.6 | F32 G57 T58 | F32-E34 VanDerWaalsContact C-N 3.26Å; F32-E34 PolarHBondContact O-N 2.93Å; E34-G57 WeakPolarHBondContact O-CA 3.5Å; E34-T58 WeakPolarHBondContact CB-O 3.48Å; E34-T58 WeakPolarHBondContact CB-OG1 3.43Å |
| 35 | L | 95.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 134.1 | 170.4 | -65.4 | -178.2 | 0 | 0 | 0 | 109.6 | L29 F32 K33 L55 I59 I72 I128 | L29-L35 HydrophobicContact CD2-CB 3.98Å; L29-L35 WeakPolarHBondContact CD2-O 3.5Å; F32-L35 HydrophobicContact CB-CD1 3.76Å; F32-L35 HydrophobicContact CB-CG 3.93Å; F32-L35 HydrophobicContact CG-CD1 4.38Å; F32-L35 WeakPolarHBondContact O-CB 3.38Å; F32-L35 PolarHBondContact O-N 3.42Å; F32-L35 VanDerWaalsContact O-N 3.14Å; K33-L35 VanDerWaalsContact C-N 3.33Å; L35-L55 HydrophobicContact CD1-CB 4.48Å; L35-I59 HydrophobicContact CD2-CG2 4.27Å; L35-I72 HydrophobicContact CD2-CD1 4.41Å; L35-I72 HydrophobicContact CD2-CG1 4.16Å; L35-I128 HydrophobicContact CD1-CD1 3.72Å |
| 36 | R | 93.4 | Very high | 92.5 | Very high | 176 Ų | 176 | 77.4 Ų | 77.4 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.6 | 175.6 | -65 | -172 | -174.9 | -155.3 | 2 | 109.7 | D56 | R36-D56 WeakPolarHBondContact CA-O 3.36Å; R36-D56 WeakPolarHBondContact CB-O 3.26Å; R36-D56 PolarHBondContact N-O 2.97Å; R36-D56 PolarHBondContact O-N 3.47Å; R36-D56 VanDerWaalsContact O-O 3.12Å |
| 37 | P | 92.7 | Very high | 92.1 | Very high | 37 Ų | 37 | 79.3 Ų | 79.3 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 145.6 | 178.8 | 30.9 | -32.5 | 0 | 0 | 0 | 112.9 | W6 L29 S54 L55 | W6-P37 VanDerWaalsContact CD1-CG 3.49Å; W6-P37 HydrophobicContact CD2-CB 3.31Å; W6-P37 HydrophobicContact CD2-CG 3.32Å; W6-P37 HydrophobicContact CE3-CB 3.52Å; W6-P37 HydrophobicContact CE3-CG 4.01Å; W6-P37 HydrophobicContact CG-CB 4.12Å; W6-P37 HydrophobicContact CG-CG 3.57Å; W6-P37 HydrophobicContact CH2-CB 3.15Å; W6-P37 HydrophobicContact CH2-CG 4.22Å; W6-P37 HydrophobicContact CZ2-CB 2.93Å; W6-P37 HydrophobicContact CZ2-CG 3.6Å; W6-P37 HydrophobicContact CZ3-CB 3.45Å; W6-P37 VanDerWaalsContact CZ3-CB 3.45Å; W6-P37 HydrophobicContact CZ3-CG 4.41Å; L29-P37 HydrophobicContact CD1-CB 4.11Å; L29-P37 HydrophobicContact CD1-CG 3.83Å; L29-P37 HydrophobicContact CD2-CG 4.5Å; P37-S54 CarbonylContact C-O 3.55Å; P37-S54 WeakPolarHBondContact CA-O 3.43Å; P37-L55 HydrophobicContact CB-CD2 4.13Å |
| 38 | K | 92.1 | Very high | 91.9 | Very high | 81 Ų | 81 | 79.2 Ų | 79.2 | 35% | 0.352 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.5 | -179.9 | -67.8 | -178.8 | 176.6 | 173.4 | 0 | 110.9 | V53 S54 D56 | K38-V53 WeakPolarHBondContact O-CA 3.38Å; K38-S54 PolarHBondContact N-O 2.76Å; K38-S54 PolarHBondContact O-N 2.95Å; K38-D56 HydrophobicContact CD-CB 3.83Å; K38-D56 WeakPolarHBondContact CE-OD1 3.36Å; K38-D56 IonicContact NZ-OD1 3.54Å; K38-D56 PolarHBondContact NZ-OD1 3.42Å |
| 39 | F | 91.5 | Very high | 91.6 | Very high | 50 Ų | 50 | 82 Ų | 82 | 22% | 0.219 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 84.9 | 169.5 | -171 | -116.4 | 0 | 0 | 0 | 109.2 | C11 R51 L52 V53 | C11-F39 HydrophobicContact CB-CD1 4.35Å; C11-F39 HydrophobicContact CB-CD2 3.96Å; C11-F39 HydrophobicContact CB-CE2 4.17Å; C11-F39 HydrophobicContact CB-CG 4.06Å; C11-F39 HydrophobicContact CB-CZ 4.46Å; C11-F39 WeakPolarHBondContact O-CE2 3.22Å; F39-R51 HydrophobicContact CE1-CB 3.78Å; F39-R51 HydrophobicContact CE2-CB 4.23Å; F39-R51 VanDerWaalsContact CE2-O 3.31Å; F39-R51 WeakPolarHBondContact CE2-O 3.45Å; F39-R51 HydrophobicContact CZ-CB 3.62Å; F39-R51 WeakPolarHBondContact CZ-O 3.33Å; F39-R51 PolarHBondContact O-NH2 3.3Å; F39-L52 CarbonylContact C-O 3.51Å; F39-L52 WeakPolarHBondContact CA-O 3.09Å; F39-L52 WeakPolarHBondContact CD2-O 3.48Å; F39-V53 HydrophobicContact CD2-CG2 4.03Å; F39-V53 HydrophobicContact CE2-CG2 4.45Å |
| 40 | E | 91.2 | Very high | 91.5 | Very high | 44 Ų | 44 | 85.7 Ų | 85.7 | 21% | 0.206 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 162 | -165.9 | 72.6 | -172 | 179.4 | 0 | 0 | 112.3 | R51 L52 S54 F75 R90 | E40-R51 CarbonylContact O-C 3.55Å; E40-R51 WeakPolarHBondContact O-CA 3.11Å; E40-L52 PolarHBondContact N-O 2.94Å; E40-L52 PolarHBondContact O-N 3.22Å; E40-S54 WeakPolarHBondContact CG-OG 3.32Å; E40-S54 PolarHBondContact OE1-OG 2.99Å; E40-F75 HydrophobicContact CG-CE1 3.79Å; E40-F75 HydrophobicContact CG-CZ 4.46Å; E40-F75 VanDerWaalsContact OE1-CE1 3.27Å; E40-F75 WeakPolarHBondContact OE1-CE1 3.47Å; E40-F75 VanDerWaalsContact OE1-CZ 3.24Å; E40-F75 WeakPolarHBondContact OE1-CZ 3.33Å; E40-R90 IonicContact OE1-CZ 3.62Å; E40-R90 IonicContact OE1-NH1 3.88Å; E40-R90 PolarHBondContact OE1-NH1 3.47Å; E40-R90 IonicContact OE1-NH2 3.6Å; E40-R90 PolarHBondContact OE1-NH2 3.37Å; E40-R90 IonicContact OE2-NH1 2.65Å |
| 41 | E | 92.8 | Very high | 91.4 | Very high | 123 Ų | 123 | 84.7 Ų | 84.7 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 132.1 | 178.4 | -167.5 | 172.6 | 177.4 | 0 | 0 | 110.2 | S49 R50 | E41-S49 WeakPolarHBondContact CG-OG 3.32Å; E41-S49 VanDerWaalsContact OE1-CB 3.31Å; E41-S49 WeakPolarHBondContact OE1-CB 3.26Å; E41-S49 PolarHBondContact OE1-OG 3.47Å; E41-R50 CarbonylContact C-O 3.53Å; E41-R50 WeakPolarHBondContact CA-O 3.42Å |
| 42 | F | 92.4 | Very high | 91.3 | Very high | 19 Ų | 19 | 82 Ų | 82 | 8% | 0.083 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.6 | 176.5 | -176.5 | -89.9 | 0 | 0 | 0 | 108.4 | K44 S49 R50 L52 F75 F77 Y88 | F42-K44 HydrophobicContact CE1-CB 4.22Å; F42-S49 WeakPolarHBondContact O-CA 3.28Å; F42-R50 PolarHBondContact N-O 3.39Å; F42-R50 PolarHBondContact O-N 3.34Å; F42-L52 HydrophobicContact CB-CD1 3.76Å; F42-L52 HydrophobicContact CB-CG 4.19Å; F42-L52 HydrophobicContact CD1-CD1 4.18Å; F42-L52 HydrophobicContact CG-CD1 3.98Å; F42-F75 HydrophobicContact CB-CD1 4.24Å; F42-F75 HydrophobicContact CB-CE1 4.19Å; F42-F75 AromaticContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD2 4.07Å; F42-F75 AromaticContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE2 4.05Å; F42-F75 AromaticContact CD2-CG 3.84Å; F42-F75 HydrophobicContact CD2-CG 3.84Å; F42-F75 AromaticContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CE2-CD1 4.49Å; F42-F75 HydrophobicContact CE2-CD2 4.13Å; F42-F75 HydrophobicContact CE2-CE2 4.23Å; F42-F75 HydrophobicContact CE2-CG 4.23Å; F42-F75 HydrophobicContact CE2-CZ 4.41Å; F42-F75 HydrophobicContact CG-CD1 4.29Å; F42-F75 HydrophobicContact CG-CE1 4.39Å; F42-F77 HydrophobicContact CD1-CE1 4.45Å; F42-F77 AromaticContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CE1-CE1 4.39Å; F42-F77 HydrophobicContact CE1-CE2 4.44Å; F42-F77 AromaticContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CZ-CZ 4.16Å; F42-Y88 AromaticContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CZ-CE2 4.28Å |
| 43 | I | 92 | Very high | 91.2 | Very high | 110 Ų | 110 | 81 Ų | 81 | 56% | 0.564 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.9 | 177.5 | -57.4 | 172.8 | 0 | 0 | 0 | 107.2 | ||
| 44 | K | 85.2 | Confident | 91.2 | Very high | 90 Ų | 90 | 72.2 Ų | 72.2 | 39% | 0.391 | 36% | 0.356 | S | S | . | . | trans | -79.4 | 161.1 | 176.1 | -172.4 | 177.7 | -176.3 | -172 | 0 | 109.8 | F42 D46 G47 T48 | F42-K44 HydrophobicContact CE1-CB 4.22Å; K44-D46 VanDerWaalsContact CB-OD1 3.3Å; K44-D46 WeakPolarHBondContact CB-OD1 3.28Å; K44-D46 PolarHBondContact O-N 2.89Å; K44-G47 PolarHBondContact O-N 3.36Å; K44-T48 PolarHBondContact N-O 2.85Å | ||
| 45 | N | 84.5 | Confident | 91.3 | Very high | 160 Ų | 160 | 66.6 Ų | 66.6 | 86% | 0.856 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.4 | -177.8 | -61.2 | -5.2 | 0 | 0 | 0 | 114.1 | G47 | N45-G47 VanDerWaalsContact C-N 3.25Š|
| 46 | D | 86.9 | Confident | 91.3 | Very high | 97 Ų | 97 | 67.9 Ų | 67.9 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.5 | 173.9 | 59.9 | 4.5 | 0 | 0 | 0 | 113.4 | K44 T48 | K44-D46 VanDerWaalsContact CB-OD1 3.3Å; K44-D46 WeakPolarHBondContact CB-OD1 3.28Å; K44-D46 PolarHBondContact O-N 2.89Å; D46-T48 VanDerWaalsContact C-N 3.25Å; D46-T48 VanDerWaalsContact CG-OG1 3.27Å; D46-T48 PolarHBondContact O-N 3.3Å; D46-T48 WeakPolarHBondContact OD1-CB 3.48Å; D46-T48 PolarHBondContact OD1-N 2.97Å; D46-T48 PolarHBondContact OD1-OG1 3.4Å; D46-T48 PolarHBondContact OD2-OG1 3.07Å |
| 47 | G | 86.2 | Confident | 91.5 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 81.2 | -1.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K44 N45 S49 | K44-G47 PolarHBondContact O-N 3.36Å; N45-G47 VanDerWaalsContact C-N 3.25Å; G47-S49 PolarHBondContact O-N 3.19Å |
| 48 | T | 88.5 | Confident | 91.7 | Very high | 60 Ų | 60 | 60 Ų | 60 | 37% | 0.368 | 31% | 0.311 | S | S | . | . | trans | -73.9 | 130.8 | 176.9 | 63.2 | 0 | 0 | 0 | 0 | 110.6 | K44 D46 | K44-T48 PolarHBondContact N-O 2.85Å; D46-T48 VanDerWaalsContact C-N 3.25Å; D46-T48 VanDerWaalsContact CG-OG1 3.27Å; D46-T48 PolarHBondContact O-N 3.3Å; D46-T48 WeakPolarHBondContact OD1-CB 3.48Å; D46-T48 PolarHBondContact OD1-N 2.97Å; D46-T48 PolarHBondContact OD1-OG1 3.4Å; D46-T48 PolarHBondContact OD2-OG1 3.07Å | ||
| 49 | S | 90.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.6 | 175.6 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | E41 F42 G47 | E41-S49 WeakPolarHBondContact CG-OG 3.32Å; E41-S49 VanDerWaalsContact OE1-CB 3.31Å; E41-S49 WeakPolarHBondContact OE1-CB 3.26Å; E41-S49 PolarHBondContact OE1-OG 3.47Å; F42-S49 WeakPolarHBondContact O-CA 3.28Å; G47-S49 PolarHBondContact O-N 3.19Å |
| 50 | R | 90.9 | Very high | 92.2 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 37% | 0.366 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146 | 174.4 | -61.6 | -170.6 | -177.7 | -162.4 | 2.1 | 110.2 | E41 F42 L52 E78 | E41-R50 CarbonylContact C-O 3.53Å; E41-R50 WeakPolarHBondContact CA-O 3.42Å; F42-R50 PolarHBondContact N-O 3.39Å; F42-R50 PolarHBondContact O-N 3.34Å; R50-L52 HydrophobicContact CB-CD2 4.14Å; R50-L52 HydrophobicContact CB-CG 4.19Å; R50-E78 WeakPolarHBondContact CD-OE1 3.38Å; R50-E78 IonicContact CZ-OE2 3.24Å; R50-E78 IonicContact NH1-OE1 3.9Å; R50-E78 IonicContact NH1-OE2 2.69Å; R50-E78 PolarHBondContact NH1-OE2 2.9Å |
| 51 | R | 92 | Very high | 92.5 | Very high | 134 Ų | 134 | 54.2 Ų | 54.2 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.7 | 171.6 | -68.4 | -170.8 | 67.2 | -178.8 | 4.2 | 109.2 | F39 E40 | F39-R51 HydrophobicContact CE1-CB 3.78Å; F39-R51 HydrophobicContact CE2-CB 4.23Å; F39-R51 VanDerWaalsContact CE2-O 3.31Å; F39-R51 WeakPolarHBondContact CE2-O 3.45Å; F39-R51 HydrophobicContact CZ-CB 3.62Å; F39-R51 WeakPolarHBondContact CZ-O 3.33Å; F39-R51 PolarHBondContact O-NH2 3.3Å; E40-R51 CarbonylContact O-C 3.55Å; E40-R51 WeakPolarHBondContact O-CA 3.11Å |
| 52 | L | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 153.2 | -172.8 | -59 | -179.4 | 0 | 0 | 0 | 110.5 | F39 E40 F42 R50 F75 F77 E78 | F39-L52 CarbonylContact C-O 3.51Å; F39-L52 WeakPolarHBondContact CA-O 3.09Å; F39-L52 WeakPolarHBondContact CD2-O 3.48Å; E40-L52 PolarHBondContact N-O 2.94Å; E40-L52 PolarHBondContact O-N 3.22Å; F42-L52 HydrophobicContact CB-CD1 3.76Å; F42-L52 HydrophobicContact CB-CG 4.19Å; F42-L52 HydrophobicContact CD1-CD1 4.18Å; F42-L52 HydrophobicContact CG-CD1 3.98Å; R50-L52 HydrophobicContact CB-CD2 4.14Å; R50-L52 HydrophobicContact CB-CG 4.19Å; L52-F75 HydrophobicContact CB-CD1 4.46Å; L52-F77 HydrophobicContact CD1-CD1 4.11Å; L52-F77 HydrophobicContact CD1-CD2 4.17Å; L52-F77 HydrophobicContact CD1-CE1 4.02Å; L52-F77 HydrophobicContact CD1-CE2 4.04Å; L52-F77 HydrophobicContact CD1-CG 4.19Å; L52-F77 HydrophobicContact CD1-CZ 3.99Å; L52-E78 HydrophobicContact CD2-CG 4.34Å |
| 53 | V | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 126.7 | 163.5 | 174.6 | 0 | 0 | 0 | 0 | 108.1 | W6 L12 Y15 V25 K38 F39 L76 | W6-V53 HydrophobicContact CH2-CG1 3.58Å; W6-V53 HydrophobicContact CZ3-CG1 4Å; L12-V53 HydrophobicContact CD2-CG2 3.82Å; Y15-V53 HydrophobicContact CE2-CG2 3.97Å; Y15-V53 PolarHBondContact OH-N 3.45Å; V25-V53 HydrophobicContact CG2-CG1 4.45Å; K38-V53 WeakPolarHBondContact O-CA 3.38Å; F39-V53 HydrophobicContact CD2-CG2 4.03Å; F39-V53 HydrophobicContact CE2-CG2 4.45Å; V53-L76 HydrophobicContact CG1-CD1 4.27Å; V53-L76 PolarHBondContact O-N 2.91Å |
| 54 | S | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.2 | 172.6 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | P37 K38 E40 I74 | P37-S54 CarbonylContact C-O 3.55Å; P37-S54 WeakPolarHBondContact CA-O 3.43Å; K38-S54 PolarHBondContact N-O 2.76Å; K38-S54 PolarHBondContact O-N 2.95Å; E40-S54 WeakPolarHBondContact CG-OG 3.32Å; E40-S54 PolarHBondContact OE1-OG 2.99Å; S54-I74 CarbonylContact C-O 3.53Å; S54-I74 WeakPolarHBondContact CA-O 3.44Å; S54-I74 WeakPolarHBondContact CB-O 3.37Å |
| 55 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 110.6 | 169.3 | -53.9 | -177.7 | 0 | 0 | 0 | 107.9 | V25 A28 L29 L35 P37 A73 I74 L124 | V25-L55 HydrophobicContact CG1-CD2 3.6Å; V25-L55 HydrophobicContact CG2-CD2 4.42Å; A28-L55 HydrophobicContact CB-CD1 4.02Å; L29-L55 HydrophobicContact CD2-CD2 4.16Å; L29-L55 HydrophobicContact CG-CD2 4.43Å; L35-L55 HydrophobicContact CD1-CB 4.48Å; P37-L55 HydrophobicContact CB-CD2 4.13Å; L55-A73 CarbonylContact O-C 3.6Å; L55-A73 VanDerWaalsContact O-CA 3.29Å; L55-A73 WeakPolarHBondContact O-CA 3.22Å; L55-I74 HydrophobicContact CB-CB 4.32Å; L55-I74 PolarHBondContact N-O 2.94Å; L55-I74 PolarHBondContact O-N 3.38Å; L55-L124 HydrophobicContact CD1-CD2 3.77Å |
| 56 | D | 95.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.3 | -177.2 | 178.4 | -109.9 | 0 | 0 | 0 | 109.8 | R36 K38 R90 | R36-D56 WeakPolarHBondContact CA-O 3.36Å; R36-D56 WeakPolarHBondContact CB-O 3.26Å; R36-D56 PolarHBondContact N-O 2.97Å; R36-D56 PolarHBondContact O-N 3.47Å; R36-D56 VanDerWaalsContact O-O 3.12Å; K38-D56 HydrophobicContact CD-CB 3.83Å; K38-D56 WeakPolarHBondContact CE-OD1 3.36Å; K38-D56 IonicContact NZ-OD1 3.54Å; K38-D56 PolarHBondContact NZ-OD1 3.42Å; D56-R90 WeakPolarHBondContact OD2-CD 3.47Å; D56-R90 IonicContact OD2-CZ 3.54Å; D56-R90 IonicContact OD2-NE 2.84Å; D56-R90 IonicContact OD2-NH1 3.89Å; D56-R90 PolarHBondContact OD2-NH1 3.05Å |
| 57 | G | 96.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | -149.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E34 P71 I72 | E34-G57 WeakPolarHBondContact O-CA 3.5Å; G57-P71 CarbonylContact O-C 3.53Å; G57-P71 VanDerWaalsContact O-CA 3.3Å; G57-P71 WeakPolarHBondContact O-CA 3.32Å; G57-I72 PolarHBondContact N-O 3.14Å; G57-I72 VanDerWaalsContact N-O 3.11Å; G57-I72 PolarHBondContact O-N 3.25Å |
| 58 | T | 97.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 20% | 0.202 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 150.4 | 178.8 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | E34 N69 I70 P71 | E34-T58 WeakPolarHBondContact CB-O 3.48Å; E34-T58 WeakPolarHBondContact CB-OG1 3.43Å; T58-N69 HydrophobicContact CG2-CB 4.29Å; T58-I70 VanDerWaalsContact CA-O 3.29Å; T58-I70 WeakPolarHBondContact CA-O 3.42Å; T58-P71 HydrophobicContact CG2-CB 4.23Å |
| 59 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136 | 171.1 | 55.7 | 162.5 | 0 | 0 | 0 | 109.7 | L35 V61 I70 I72 I128 L131 Q132 F135 | L35-I59 HydrophobicContact CD2-CG2 4.27Å; I59-V61 HydrophobicContact CD1-CG2 4.13Å; I59-V61 HydrophobicContact CG1-CG2 4.14Å; I59-V61 PolarHBondContact O-N 2.87Å; I59-I70 HydrophobicContact CG1-CB 4.37Å; I59-I70 PolarHBondContact N-O 3.07Å; I59-I70 PolarHBondContact O-N 3.2Å; I59-I72 HydrophobicContact CB-CD1 4.41Å; I59-I72 HydrophobicContact CD1-CD1 3.98Å; I59-I72 HydrophobicContact CD1-CG2 4.33Å; I59-I72 HydrophobicContact CG1-CD1 4Å; I59-I72 HydrophobicContact CG1-CG1 4.31Å; I59-I72 HydrophobicContact CG1-CG2 4.23Å; I59-I72 HydrophobicContact CG2-CD1 3.53Å; I59-I72 HydrophobicContact CG2-CG1 4.09Å; I59-I128 HydrophobicContact CB-CG2 4.4Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; I59-L131 HydrophobicContact CD1-CB 3.9Å; I59-Q132 HydrophobicContact CD1-CG 4.19Å; I59-F135 HydrophobicContact CD1-CD2 4.19Å; I59-F135 HydrophobicContact CD1-CE2 4.45Å |
| 60 | P | 97.3 | Very high | 95.2 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120 | 178.7 | 27.8 | -30.4 | 0 | 0 | 0 | 110 | T67 Q132 | P60-T67 HydrophobicContact CB-CG2 3.7Å; P60-Q132 WeakPolarHBondContact O-CG 3.45Å; P60-Q132 PolarHBondContact O-NE2 3.5Å |
| 61 | V | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.1 | -177.2 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | I59 T67 Y68 I70 Q132 F135 G136 | I59-V61 HydrophobicContact CD1-CG2 4.13Å; I59-V61 HydrophobicContact CG1-CG2 4.14Å; I59-V61 PolarHBondContact O-N 2.87Å; V61-T67 CarbonylContact O-C 3.59Å; V61-T67 WeakPolarHBondContact O-CA 3.28Å; V61-Y68 PolarHBondContact N-O 2.87Å; V61-Y68 PolarHBondContact O-N 3.24Å; V61-I70 HydrophobicContact CB-CG1 3.76Å; V61-I70 HydrophobicContact CG1-CG1 4.47Å; V61-I70 HydrophobicContact CG2-CB 4.06Å; V61-I70 HydrophobicContact CG2-CG1 3.51Å; V61-Q132 HydrophobicContact CG2-CG 4.47Å; V61-F135 HydrophobicContact CB-CB 4.47Å; V61-F135 HydrophobicContact CG1-CB 3.68Å; V61-F135 WeakPolarHBondContact CG1-O 3.44Å; V61-F135 HydrophobicContact CG2-CB 4.01Å; V61-F135 HydrophobicContact CG2-CD2 4.45Å; V61-G136 VanDerWaalsContact CG1-N 3.32Å |
| 62 | R | 97 | Very high | 95.8 | Very high | 201 Ų | 201 | 48.1 Ų | 48.1 | 76% | 0.758 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 111.4 | 175.2 | -70.1 | -175.3 | -177.6 | -172.4 | 2.3 | 109.7 | S66 G136 | R62-S66 CarbonylContact C-O 3.47Å; R62-S66 WeakPolarHBondContact CA-O 3.47Å; R62-G136 WeakPolarHBondContact O-CA 3.42Å |
| 63 | Y | 93.7 | Very high | 96 | Very high | 60 Ų | 60 | 48.1 Ų | 48.1 | 24% | 0.235 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125 | 178.3 | -180 | -97.4 | 0 | 0 | 0 | 109 | G65 S66 Y68 G136 | Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 3.36Å; Y63-S66 PolarHBondContact N-O 2.95Å; Y63-S66 PolarHBondContact O-N 2.76Å; Y63-S66 VanDerWaalsContact O-O 3.04Å; Y63-Y68 HydrophobicContact CD1-CE2 4.13Å; Y63-G136 WeakPolarHBondContact CD2-O 3.27Å |
| 64 | M | 93.2 | Very high | 96.2 | Very high | 161 Ų | 161 | 48.1 Ų | 48.1 | 79% | 0.793 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 43.5 | -178.9 | -56.7 | -171.5 | 88.3 | 0 | 0 | 114.4 | S66 | M64-S66 VanDerWaalsContact C-N 3.26Å; M64-S66 PolarHBondContact O-N 2.75Å |
| 65 | G | 92.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 87% | 0.866 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -4.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y63 | Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 3.36Å |
| 66 | S | 94.9 | Very high | 96.3 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 42% | 0.42 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 147.1 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | R62 Y63 M64 | R62-S66 CarbonylContact C-O 3.47Å; R62-S66 WeakPolarHBondContact CA-O 3.47Å; Y63-S66 PolarHBondContact N-O 2.95Å; Y63-S66 PolarHBondContact O-N 2.76Å; Y63-S66 VanDerWaalsContact O-O 3.04Å; M64-S66 VanDerWaalsContact C-N 3.26Å; M64-S66 PolarHBondContact O-N 2.75Å |
| 67 | T | 96.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.1 | 175.7 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | P60 V61 | P60-T67 HydrophobicContact CB-CG2 3.7Å; V61-T67 CarbonylContact O-C 3.59Å; V61-T67 WeakPolarHBondContact O-CA 3.28Å |
| 68 | Y | 95.6 | Very high | 96 | Very high | 114 Ų | 114 | 48.1 Ų | 48.1 | 45% | 0.447 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.6 | 175.6 | -61.3 | -88.4 | 0 | 0 | 0 | 110.1 | V61 Y63 I70 | V61-Y68 PolarHBondContact N-O 2.87Å; V61-Y68 PolarHBondContact O-N 3.24Å; Y63-Y68 HydrophobicContact CD1-CE2 4.13Å; Y68-I70 PolarHBondContact O-N 2.84Å |
| 69 | N | 96.5 | Very high | 95.9 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 102.6 | 175.8 | -65.4 | -40.9 | 0 | 0 | 0 | 109 | T58 | T58-N69 HydrophobicContact CG2-CB 4.29Å |
| 70 | I | 96.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.5 | -175.6 | -54.9 | -58.1 | 0 | 0 | 0 | 109.2 | T58 I59 V61 Y68 I72 F135 P140 V141 | T58-I70 VanDerWaalsContact CA-O 3.29Å; T58-I70 WeakPolarHBondContact CA-O 3.42Å; I59-I70 HydrophobicContact CG1-CB 4.37Å; I59-I70 PolarHBondContact N-O 3.07Å; I59-I70 PolarHBondContact O-N 3.2Å; V61-I70 HydrophobicContact CB-CG1 3.76Å; V61-I70 HydrophobicContact CG1-CG1 4.47Å; V61-I70 HydrophobicContact CG2-CB 4.06Å; V61-I70 HydrophobicContact CG2-CG1 3.51Å; Y68-I70 PolarHBondContact O-N 2.84Å; I70-I72 HydrophobicContact CG2-CG2 4.38Å; I70-F135 HydrophobicContact CG2-CD2 4.19Å; I70-F135 HydrophobicContact CG2-CE2 4.4Å; I70-P140 HydrophobicContact CG2-CG 3.8Å; I70-V141 HydrophobicContact CD1-CG2 3.78Å; I70-V141 HydrophobicContact CG2-CG2 4.47Å |
| 71 | P | 97.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.6 | -179.3 | 30.6 | -35.1 | 0 | 0 | 0 | 111.5 | G57 T58 R90 M95 | G57-P71 CarbonylContact O-C 3.53Å; G57-P71 VanDerWaalsContact O-CA 3.3Å; G57-P71 WeakPolarHBondContact O-CA 3.32Å; T58-P71 HydrophobicContact CG2-CB 4.23Å; P71-R90 WeakPolarHBondContact CB-O 3.46Å; P71-R90 WeakPolarHBondContact CG-O 3.44Å; P71-R90 PolarHBondContact O-N 3.24Å; P71-M95 HydrophobicContact CG-SD 4.05Å |
| 72 | I | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 158.6 | -179.4 | 65 | 166.2 | 0 | 0 | 0 | 111.5 | L35 G57 I59 I70 I74 Y88 L131 F135 | L35-I72 HydrophobicContact CD2-CD1 4.41Å; L35-I72 HydrophobicContact CD2-CG1 4.16Å; G57-I72 PolarHBondContact N-O 3.14Å; G57-I72 VanDerWaalsContact N-O 3.11Å; G57-I72 PolarHBondContact O-N 3.25Å; I59-I72 HydrophobicContact CB-CD1 4.41Å; I59-I72 HydrophobicContact CD1-CD1 3.98Å; I59-I72 HydrophobicContact CD1-CG2 4.33Å; I59-I72 HydrophobicContact CG1-CD1 4Å; I59-I72 HydrophobicContact CG1-CG1 4.31Å; I59-I72 HydrophobicContact CG1-CG2 4.23Å; I59-I72 HydrophobicContact CG2-CD1 3.53Å; I59-I72 HydrophobicContact CG2-CG1 4.09Å; I70-I72 HydrophobicContact CG2-CG2 4.38Å; I72-I74 HydrophobicContact CD1-CD1 3.93Å; I72-I74 HydrophobicContact CD1-CG1 4.03Å; I72-Y88 CarbonylContact C-O 3.55Å; I72-Y88 VanDerWaalsContact CA-O 3.22Å; I72-Y88 WeakPolarHBondContact CA-O 3.44Å; I72-L131 HydrophobicContact CD1-CD1 4.31Å; I72-F135 HydrophobicContact CG2-CE2 4.21Å |
| 73 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L55 F75 V87 Y88 R90 | L55-A73 CarbonylContact O-C 3.6Å; L55-A73 VanDerWaalsContact O-CA 3.29Å; L55-A73 WeakPolarHBondContact O-CA 3.22Å; A73-F75 HydrophobicContact CB-CE2 4.02Å; A73-V87 CarbonylContact O-C 3.58Å; A73-V87 WeakPolarHBondContact O-CA 3.07Å; A73-Y88 PolarHBondContact N-O 3.27Å; A73-Y88 PolarHBondContact O-N 2.86Å; A73-R90 HydrophobicContact CB-CG 4.06Å; A73-R90 VanDerWaalsContact CB-NE 3.26Å |
| 74 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 116.7 | 179.3 | -50.9 | 172.7 | 0 | 0 | 0 | 108.3 | S54 L55 I72 L76 P85 V86 V87 L124 I128 | S54-I74 CarbonylContact C-O 3.53Å; S54-I74 WeakPolarHBondContact CA-O 3.44Å; S54-I74 WeakPolarHBondContact CB-O 3.37Å; L55-I74 HydrophobicContact CB-CB 4.32Å; L55-I74 PolarHBondContact N-O 2.94Å; L55-I74 PolarHBondContact O-N 3.38Å; I72-I74 HydrophobicContact CD1-CD1 3.93Å; I72-I74 HydrophobicContact CD1-CG1 4.03Å; I74-L76 HydrophobicContact CG2-CD2 4.34Å; I74-P85 HydrophobicContact CG2-CB 3.58Å; I74-P85 HydrophobicContact CG2-CG 4.43Å; I74-V86 CarbonylContact C-O 3.56Å; I74-V87 HydrophobicContact CB-CG2 4.49Å; I74-V87 HydrophobicContact CG1-CG1 4.33Å; I74-V87 HydrophobicContact CG1-CG2 4.14Å; I74-V87 HydrophobicContact CG2-CG2 4.09Å; I74-L124 HydrophobicContact CD1-CD1 4.35Å; I74-L124 HydrophobicContact CG2-CD1 3.96Å; I74-I128 HydrophobicContact CD1-CD1 3.91Å; I74-I128 HydrophobicContact CD1-CG1 3.68Å |
| 75 | F | 96.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.8 | 178.7 | -69.3 | -91.2 | 0 | 0 | 0 | 110.8 | E40 F42 L52 A73 P85 V86 Y88 | E40-F75 HydrophobicContact CG-CE1 3.79Å; E40-F75 HydrophobicContact CG-CZ 4.46Å; E40-F75 VanDerWaalsContact OE1-CE1 3.27Å; E40-F75 WeakPolarHBondContact OE1-CE1 3.47Å; E40-F75 VanDerWaalsContact OE1-CZ 3.24Å; E40-F75 WeakPolarHBondContact OE1-CZ 3.33Å; F42-F75 HydrophobicContact CB-CD1 4.24Å; F42-F75 HydrophobicContact CB-CE1 4.19Å; F42-F75 AromaticContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD2 4.07Å; F42-F75 AromaticContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE2 4.05Å; F42-F75 AromaticContact CD2-CG 3.84Å; F42-F75 HydrophobicContact CD2-CG 3.84Å; F42-F75 AromaticContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CE2-CD1 4.49Å; F42-F75 HydrophobicContact CE2-CD2 4.13Å; F42-F75 HydrophobicContact CE2-CE2 4.23Å; F42-F75 HydrophobicContact CE2-CG 4.23Å; F42-F75 HydrophobicContact CE2-CZ 4.41Å; F42-F75 HydrophobicContact CG-CD1 4.29Å; F42-F75 HydrophobicContact CG-CE1 4.39Å; L52-F75 HydrophobicContact CB-CD1 4.46Å; A73-F75 HydrophobicContact CB-CE2 4.02Å; F75-P85 CarbonylContact O-C 3.58Å; F75-P85 VanDerWaalsContact O-CA 3.29Å; F75-P85 WeakPolarHBondContact O-CA 3.47Å; F75-V86 HydrophobicContact CB-CB 4.47Å; F75-V86 PolarHBondContact N-O 3.13Å; F75-V86 PolarHBondContact O-N 2.95Å; F75-Y88 HydrophobicContact CD2-CD2 4.11Å; F75-Y88 HydrophobicContact CE2-CD2 4.03Å |
| 76 | L | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117 | 176.7 | -54.1 | -178.4 | 0 | 0 | 0 | 109 | Y15 V21 V25 V53 I74 Y80 P85 L124 | Y15-L76 HydrophobicContact CE1-CB 4.2Å; Y15-L76 WeakPolarHBondContact CE1-O 3.42Å; Y15-L76 PolarHBondContact OH-O 2.92Å; V21-L76 HydrophobicContact CG1-CD1 3.95Å; V25-L76 HydrophobicContact CG2-CD1 3.4Å; V53-L76 HydrophobicContact CG1-CD1 4.27Å; V53-L76 PolarHBondContact O-N 2.91Å; I74-L76 HydrophobicContact CG2-CD2 4.34Å; L76-Y80 HydrophobicContact CB-CG 4.47Å; L76-Y80 HydrophobicContact CD2-CD2 3.86Å; L76-Y80 HydrophobicContact CD2-CE2 3.95Å; L76-Y80 HydrophobicContact CD2-CG 4.34Å; L76-P85 HydrophobicContact CD2-CB 3.81Å; L76-P85 HydrophobicContact CD2-CG 3.66Å; L76-L124 HydrophobicContact CD2-CD1 4.39Å |
| 77 | F | 94.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 5% | 0.048 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 161.7 | 175.6 | -80.6 | -101.8 | 0 | 0 | 0 | 111.7 | Y15 F42 L52 A79 Y80 E83 V86 | Y15-F77 WeakPolarHBondContact CD1-O 3.23Å; Y15-F77 WeakPolarHBondContact CE1-O 3.22Å; F42-F77 HydrophobicContact CD1-CE1 4.45Å; F42-F77 AromaticContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CE1-CE1 4.39Å; F42-F77 HydrophobicContact CE1-CE2 4.44Å; F42-F77 AromaticContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CZ-CZ 4.16Å; L52-F77 HydrophobicContact CD1-CD1 4.11Å; L52-F77 HydrophobicContact CD1-CD2 4.17Å; L52-F77 HydrophobicContact CD1-CE1 4.02Å; L52-F77 HydrophobicContact CD1-CE2 4.04Å; L52-F77 HydrophobicContact CD1-CG 4.19Å; L52-F77 HydrophobicContact CD1-CZ 3.99Å; F77-A79 PolarHBondContact O-N 3.25Å; F77-A79 VanDerWaalsContact O-N 3.09Å; F77-Y80 VanDerWaalsContact O-CB 3.24Å; F77-Y80 WeakPolarHBondContact O-CB 3.36Å; F77-Y80 PolarHBondContact O-N 3.34Å; F77-E83 WeakPolarHBondContact CB-OE2 3.25Å; F77-V86 HydrophobicContact CD2-CG2 4.03Å; F77-V86 HydrophobicContact CE2-CB 3.94Å; F77-V86 HydrophobicContact CE2-CG2 3.39Å; F77-V86 HydrophobicContact CZ-CG2 4.23Å |
| 78 | E | 93.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 29 Ų | 29 | 14% | 0.14 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.6 | -174.5 | -63.6 | 95.7 | 164.1 | 0 | 0 | 113.9 | K14 Y15 T16 R50 L52 | K14-E78 HydrophobicContact CB-CG 4.21Å; Y15-E78 WeakPolarHBondContact CA-O 3.33Å; T16-E78 PolarHBondContact N-O 2.91Å; R50-E78 WeakPolarHBondContact CD-OE1 3.38Å; R50-E78 IonicContact CZ-OE2 3.24Å; R50-E78 IonicContact NH1-OE1 3.9Å; R50-E78 IonicContact NH1-OE2 2.69Å; R50-E78 PolarHBondContact NH1-OE2 2.9Å; L52-E78 HydrophobicContact CD2-CG 4.34Å |
| 79 | A | 94.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 23.8 Ų | 23.8 | 30% | 0.298 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F77 H82 E83 | F77-A79 PolarHBondContact O-N 3.25Å; F77-A79 VanDerWaalsContact O-N 3.09Å; A79-H82 PolarHBondContact O-N 2.81Å; A79-E83 HydrophobicContact CB-CB 3.97Å; A79-E83 PolarHBondContact O-N 3.48Å |
| 80 | Y | 95.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 135.3 | 172.4 | -178.7 | -84.5 | 0 | 0 | 0 | 110.6 | I20 V21 D24 L76 F77 P85 W117 | I20-Y80 HydrophobicContact CG2-CE1 4.5Å; V21-Y80 HydrophobicContact CB-CD1 4.47Å; V21-Y80 HydrophobicContact CG2-CD1 3.67Å; V21-Y80 HydrophobicContact CG2-CE1 4.44Å; D24-Y80 HydrophobicContact CB-CE1 4.22Å; D24-Y80 WeakPolarHBondContact CB-OH 3.28Å; D24-Y80 WeakPolarHBondContact OD2-CE1 3.43Å; D24-Y80 PolarHBondContact OD2-OH 2.79Å; L76-Y80 HydrophobicContact CB-CG 4.47Å; L76-Y80 HydrophobicContact CD2-CD2 3.86Å; L76-Y80 HydrophobicContact CD2-CE2 3.95Å; L76-Y80 HydrophobicContact CD2-CG 4.34Å; F77-Y80 VanDerWaalsContact O-CB 3.24Å; F77-Y80 WeakPolarHBondContact O-CB 3.36Å; F77-Y80 PolarHBondContact O-N 3.34Å; Y80-P85 HydrophobicContact CD2-CG 3.97Å; Y80-P85 HydrophobicContact CE2-CG 3.72Å; Y80-W117 HydrophobicContact CD2-CZ2 4.43Å; Y80-W117 HydrophobicContact CE2-CH2 4.16Å; Y80-W117 AromaticContact CE2-CZ2 3.64Å; Y80-W117 HydrophobicContact CE2-CZ2 3.64Å |
| 81 | P | 95.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.1 | 4.3 | 13.2 | 40.3 | -42.3 | 0 | 0 | 0 | 115.3 | I20 E83 W117 H119 | I20-P81 HydrophobicContact CD1-CG 4.07Å; I20-P81 HydrophobicContact CG2-CB 4.27Å; I20-P81 HydrophobicContact CG2-CG 3.92Å; P81-E83 VanDerWaalsContact C-N 3.29Å; P81-W117 PolarHBondContact O-NE1 2.88Å; P81-H119 HydrophobicContact CB-CB 4.09Å; P81-H119 HydrophobicContact CG-CB 4Å; P81-H119 VanDerWaalsContact CG-CG 3.45Å; P81-H119 WeakPolarHBondContact CG-ND1 3.42Å |
| 82 | H | 94.8 | Very high | 95.9 | Very high | 109 Ų | 109 | 27.7 Ų | 27.7 | 51% | 0.505 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -77.9 | -18.1 | -178.3 | -70 | -80.6 | 0 | 0 | 0 | 113.2 | Y17 A79 | Y17-H82 AromaticContact CD2-CD2 3.97Å; Y17-H82 AromaticContact CE2-CD2 3.34Å; Y17-H82 WeakPolarHBondContact CE2-CD2 3.47Å; Y17-H82 AromaticContact CE2-NE2 3.92Å; Y17-H82 AromaticContact CZ-CD2 3.68Å; Y17-H82 AromaticContact CZ-NE2 3.77Å; A79-H82 PolarHBondContact O-N 2.81Å |
| 83 | E | 94.5 | Very high | 95.6 | Very high | 84 Ų | 84 | 32.5 Ų | 32.5 | 39% | 0.393 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -108.6 | 136.8 | 169.2 | -172.8 | 175.5 | -169.8 | 0 | 0 | 109.3 | F77 A79 P81 | F77-E83 WeakPolarHBondContact CB-OE2 3.25Å; A79-E83 HydrophobicContact CB-CB 3.97Å; A79-E83 PolarHBondContact O-N 3.48Å; P81-E83 VanDerWaalsContact C-N 3.29Å |
| 84 | A | 96.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 36 Ų | 36 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -63 | 144.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M114 W117 | A84-M114 HydrophobicContact CB-CB 4.49Å; A84-W117 HydrophobicContact CB-CB 3.66Å; A84-W117 HydrophobicContact CB-CD2 3.94Å; A84-W117 HydrophobicContact CB-CE3 4.41Å; A84-W117 HydrophobicContact CB-CG 3.58Å |
| 85 | P | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 153.8 | 166.6 | -23.9 | 34.7 | 0 | 0 | 0 | 111.8 | I74 F75 L76 Y80 M114 W117 L124 L127 | I74-P85 HydrophobicContact CG2-CB 3.58Å; I74-P85 HydrophobicContact CG2-CG 4.43Å; F75-P85 CarbonylContact O-C 3.58Å; F75-P85 VanDerWaalsContact O-CA 3.29Å; F75-P85 WeakPolarHBondContact O-CA 3.47Å; L76-P85 HydrophobicContact CD2-CB 3.81Å; L76-P85 HydrophobicContact CD2-CG 3.66Å; Y80-P85 HydrophobicContact CD2-CG 3.97Å; Y80-P85 HydrophobicContact CE2-CG 3.72Å; P85-M114 WeakPolarHBondContact O-CE 3.49Å; P85-W117 HydrophobicContact CG-CH2 4.13Å; P85-W117 HydrophobicContact CG-CZ2 4.4Å; P85-W117 HydrophobicContact CG-CZ3 4.45Å; P85-L124 HydrophobicContact CG-CD1 4.16Å; P85-L127 HydrophobicContact CB-CD2 4.07Å; P85-L127 HydrophobicContact CG-CD2 3.93Å |
| 86 | V | 96.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 42.6 Ų | 42.6 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.8 | 168.3 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | I74 F75 F77 Y88 L108 | I74-V86 CarbonylContact C-O 3.56Å; F75-V86 HydrophobicContact CB-CB 4.47Å; F75-V86 PolarHBondContact N-O 3.13Å; F75-V86 PolarHBondContact O-N 2.95Å; F77-V86 HydrophobicContact CD2-CG2 4.03Å; F77-V86 HydrophobicContact CE2-CB 3.94Å; F77-V86 HydrophobicContact CE2-CG2 3.39Å; F77-V86 HydrophobicContact CZ-CG2 4.23Å; V86-Y88 HydrophobicContact CG1-CD2 4Å; V86-Y88 HydrophobicContact CG1-CE2 3.44Å; V86-Y88 VanDerWaalsContact CG1-CE2 3.44Å; V86-L108 HydrophobicContact CG1-CD1 3.67Å |
| 87 | V | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.5 | -175.7 | -176.6 | 0 | 0 | 0 | 0 | 110 | A73 I74 V109 M114 L127 L131 | A73-V87 CarbonylContact O-C 3.58Å; A73-V87 WeakPolarHBondContact O-CA 3.07Å; I74-V87 HydrophobicContact CB-CG2 4.49Å; I74-V87 HydrophobicContact CG1-CG1 4.33Å; I74-V87 HydrophobicContact CG1-CG2 4.14Å; I74-V87 HydrophobicContact CG2-CG2 4.09Å; V87-V109 HydrophobicContact CB-CB 4.05Å; V87-V109 HydrophobicContact CB-CG2 4.26Å; V87-V109 HydrophobicContact CG1-CB 4.19Å; V87-V109 HydrophobicContact CG1-CG2 3.89Å; V87-V109 PolarHBondContact O-N 3.46Å; V87-M114 HydrophobicContact CB-CE 4.29Å; V87-M114 HydrophobicContact CG2-CE 3.98Å; V87-M114 HydrophobicContact CG2-SD 4.38Å; V87-L127 HydrophobicContact CG2-CD2 4.05Å; V87-L131 HydrophobicContact CG1-CD1 3.92Å; V87-L131 HydrophobicContact CG1-CD2 4.29Å; V87-L131 HydrophobicContact CG2-CD1 4.39Å |
| 88 | Y | 97.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.7 | 171.8 | -75.1 | -90.9 | 0 | 0 | 0 | 110.9 | F42 I72 A73 F75 V86 G107 L108 | F42-Y88 AromaticContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CZ-CE2 4.28Å; I72-Y88 CarbonylContact C-O 3.55Å; I72-Y88 VanDerWaalsContact CA-O 3.22Å; I72-Y88 WeakPolarHBondContact CA-O 3.44Å; A73-Y88 PolarHBondContact N-O 3.27Å; A73-Y88 PolarHBondContact O-N 2.86Å; F75-Y88 HydrophobicContact CD2-CD2 4.11Å; F75-Y88 HydrophobicContact CE2-CD2 4.03Å; V86-Y88 HydrophobicContact CG1-CD2 4Å; V86-Y88 HydrophobicContact CG1-CE2 3.44Å; V86-Y88 VanDerWaalsContact CG1-CE2 3.44Å; Y88-G107 CarbonylContact C-O 3.59Å; Y88-G107 VanDerWaalsContact CA-O 3.31Å; Y88-G107 WeakPolarHBondContact CA-O 3.48Å; Y88-L108 HydrophobicContact CD1-CB 4.16Å; Y88-L108 HydrophobicContact CD1-CD1 4.49Å; Y88-L108 HydrophobicContact CE1-CB 3.72Å; Y88-L108 HydrophobicContact CE1-CD1 3.95Å; Y88-L108 HydrophobicContact CE1-CG 4.41Å; Y88-L108 HydrophobicContact CE2-CD1 4Å |
| 89 | V | 98 | Very high | 95.3 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.3 | 163.4 | 179.6 | 0 | 0 | 0 | 0 | 108 | P91 V103 G107 V109 F135 P140 V141 | V89-P91 WeakPolarHBondContact O-CD 3.34Å; V89-V103 HydrophobicContact CG2-CG1 4.13Å; V89-G107 PolarHBondContact N-O 3.5Å; V89-V109 HydrophobicContact CG2-CG2 3.76Å; V89-F135 HydrophobicContact CG2-CE2 4.21Å; V89-F135 HydrophobicContact CG2-CZ 3.79Å; V89-P140 HydrophobicContact CG1-CB 4.36Å; V89-P140 HydrophobicContact CG1-CG 4.26Å; V89-P140 HydrophobicContact CG2-CB 3.95Å; V89-P140 HydrophobicContact CG2-CG 4.09Å; V89-V141 HydrophobicContact CG1-CG1 3.53Å |
| 90 | R | 95.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 49.9 Ų | 49.9 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | trans | -109 | 81.4 | -177.6 | -75.5 | -167.9 | 173.5 | 161.4 | 0.1 | 110.7 | E40 D56 P71 A73 | E40-R90 IonicContact OE1-CZ 3.62Å; E40-R90 IonicContact OE1-NH1 3.88Å; E40-R90 PolarHBondContact OE1-NH1 3.47Å; E40-R90 IonicContact OE1-NH2 3.6Å; E40-R90 PolarHBondContact OE1-NH2 3.37Å; E40-R90 IonicContact OE2-NH1 2.65Å; D56-R90 WeakPolarHBondContact OD2-CD 3.47Å; D56-R90 IonicContact OD2-CZ 3.54Å; D56-R90 IonicContact OD2-NE 2.84Å; D56-R90 IonicContact OD2-NH1 3.89Å; D56-R90 PolarHBondContact OD2-NH1 3.05Å; P71-R90 WeakPolarHBondContact CB-O 3.46Å; P71-R90 WeakPolarHBondContact CG-O 3.44Å; P71-R90 PolarHBondContact O-N 3.24Å; A73-R90 HydrophobicContact CB-CG 4.06Å; A73-R90 VanDerWaalsContact CB-NE 3.26Å | ||
| 91 | P | 94.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 31% | 0.312 | 30% | 0.3 | S | S | . | . | trans | -58.5 | 142.2 | -177.3 | 29.1 | -38.8 | 0 | 0 | 0 | 111.6 | V89 M95 I97 V141 | V89-P91 WeakPolarHBondContact O-CD 3.34Å; P91-M95 HydrophobicContact CB-CB 3.8Å; P91-I97 HydrophobicContact CB-CG1 4.41Å; P91-I97 HydrophobicContact CG-CD1 3.88Å; P91-I97 HydrophobicContact CG-CG1 3.82Å; P91-V141 HydrophobicContact CB-CG1 4.28Å | ||
| 92 | T | 93.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | trans | -71.5 | 170.9 | 168 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | T94 M95 | T92-T94 PolarHBondContact O-N 3.46Å; T92-T94 VanDerWaalsContact O-N 3.1Å; T92-T94 PolarHBondContact OG1-OG1 2.9Å; T92-M95 HydrophobicContact CG2-SD 4.43Å; T92-M95 PolarHBondContact O-N 3.34Å; T92-M95 VanDerWaalsContact O-O 3.13Å; T92-M95 WeakPolarHBondContact OG1-CG 3.29Å | ||
| 93 | N | 91.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.6 | 175.2 | 62.8 | -20.8 | 0 | 0 | 0 | 113.6 | K144 | N93-K144 WeakPolarHBondContact O-CD 3.44Å; N93-K144 PolarHBondContact O-NZ 3.41Å |
| 94 | T | 91.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.3 | 176.7 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | T92 S143 K144 | T92-T94 PolarHBondContact O-N 3.46Å; T92-T94 VanDerWaalsContact O-N 3.1Å; T92-T94 PolarHBondContact OG1-OG1 2.9Å; T94-S143 CarbonylContact O-C 3.59Å; T94-S143 WeakPolarHBondContact O-CA 3.37Å; T94-K144 PolarHBondContact O-N 2.91Å |
| 95 | M | 94.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 158.8 | 179.3 | -66.3 | 174.9 | -174.7 | 0 | 0 | 111.1 | P71 P91 T92 V141 F142 K144 | P71-M95 HydrophobicContact CG-SD 4.05Å; P91-M95 HydrophobicContact CB-CB 3.8Å; T92-M95 HydrophobicContact CG2-SD 4.43Å; T92-M95 PolarHBondContact O-N 3.34Å; T92-M95 VanDerWaalsContact O-O 3.13Å; T92-M95 WeakPolarHBondContact OG1-CG 3.29Å; M95-V141 HydrophobicContact CB-CB 4.41Å; M95-V141 HydrophobicContact SD-CG2 4.12Å; M95-F142 CarbonylContact C-O 3.55Å; M95-F142 VanDerWaalsContact CA-O 3.32Å; M95-F142 WeakPolarHBondContact CA-O 3.29Å; M95-K144 WeakPolarHBondContact O-CE 3.35Å; M95-K144 PolarHBondContact O-NZ 2.81Å |
| 96 | Q | 94.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.7 | 170.3 | -175.9 | 169 | -6 | 0 | 0 | 109 | V141 F142 K144 | Q96-V141 CarbonylContact O-C 3.45Å; Q96-V141 WeakPolarHBondContact O-CA 3.12Å; Q96-F142 HydrophobicContact CB-CD1 4.35Å; Q96-F142 HydrophobicContact CB-CE1 3.78Å; Q96-F142 HydrophobicContact CB-CE2 4.11Å; Q96-F142 HydrophobicContact CB-CZ 3.66Å; Q96-F142 HydrophobicContact CG-CE1 3.86Å; Q96-F142 HydrophobicContact CG-CZ 3.75Å; Q96-F142 PolarHBondContact N-O 3.05Å; Q96-F142 WeakPolarHBondContact O-CD1 3.48Å; Q96-F142 PolarHBondContact O-N 3.24Å; Q96-K144 HydrophobicContact CB-CG 4.25Å |
| 97 | I | 96.7 | Very high | 95.1 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 135.2 | 174.7 | -70.7 | 154.1 | 0 | 0 | 0 | 108.7 | P91 P99 V103 D104 P140 | P91-I97 HydrophobicContact CB-CG1 4.41Å; P91-I97 HydrophobicContact CG-CD1 3.88Å; P91-I97 HydrophobicContact CG-CG1 3.82Å; I97-P99 WeakPolarHBondContact O-CD 3.44Å; I97-V103 HydrophobicContact CG2-CG1 4.33Å; I97-D104 WeakPolarHBondContact CG2-O 3.4Å; I97-P140 WeakPolarHBondContact CA-O 3.45Å |
| 98 | K | 95.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | trans | -104.4 | 100.4 | 169 | -171.1 | -178.1 | 175.3 | -170 | 0 | 107.2 | S100 P140 F142 | K98-S100 PolarHBondContact O-N 3.07Å; K98-P140 PolarHBondContact N-O 3.35Å; K98-F142 HydrophobicContact CB-CD1 4.01Å; K98-F142 HydrophobicContact CB-CE1 4.47Å | ||
| 99 | P | 95 | Very high | 95.1 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | trans | -55.4 | 141.3 | 175.3 | -24.3 | 34.1 | 0 | 0 | 0 | 110.8 | I97 V103 | I97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-V103 CarbonylContact C-O 3.59Å; P99-V103 VanDerWaalsContact CA-O 3.28Å; P99-V103 WeakPolarHBondContact CA-O 3.45Å | ||
| 100 | S | 94.1 | Very high | 95 | Very high | 37 Ų | 37 | 68.2 Ų | 68.2 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -148.8 | 178.2 | -179 | 65.4 | 0 | 0 | 0 | 0 | 109.5 | K98 F102 V103 | K98-S100 PolarHBondContact O-N 3.07Å; S100-F102 PolarHBondContact O-N 2.8Å; S100-F102 PolarHBondContact OG-N 2.78Å; S100-V103 PolarHBondContact N-O 3.46Å; S100-V103 PolarHBondContact O-N 3.41Å; S100-V103 VanDerWaalsContact O-O 3.05Å; S100-V103 PolarHBondContact OG-N 2.93Å |
| 101 | D | 95 | Very high | 95 | Very high | 156 Ų | 156 | 64.5 Ų | 64.5 | 83% | 0.834 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.7 | 177.5 | -57.7 | -33.8 | 0 | 0 | 0 | 113.2 | ||
| 102 | F | 96.2 | Very high | 95.1 | Very high | 67 Ų | 67 | 65.8 Ų | 65.8 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -4.8 | -177.4 | -54.6 | -60.2 | 0 | 0 | 0 | 114.3 | S100 V109 Q110 L111 P112 V134 | S100-F102 PolarHBondContact O-N 2.8Å; S100-F102 PolarHBondContact OG-N 2.78Å; F102-V109 CarbonylContact O-C 3.57Å; F102-V109 VanDerWaalsContact O-CA 3.29Å; F102-V109 WeakPolarHBondContact O-CA 3.42Å; F102-Q110 WeakPolarHBondContact CA-O 3.5Å; F102-Q110 WeakPolarHBondContact CB-O 3.33Å; F102-Q110 WeakPolarHBondContact CD1-O 3.43Å; F102-Q110 PolarHBondContact O-N 3.3Å; F102-L111 HydrophobicContact CB-CD2 3.77Å; F102-L111 HydrophobicContact CD1-CD2 3.81Å; F102-L111 HydrophobicContact CD2-CD2 4.41Å; F102-L111 HydrophobicContact CG-CD2 3.74Å; F102-P112 HydrophobicContact CE1-CG 4.28Å; F102-V134 HydrophobicContact CB-CG1 4.36Å; F102-V134 HydrophobicContact CD2-CG1 3.44Å; F102-V134 VanDerWaalsContact CD2-CG1 3.44Å; F102-V134 HydrophobicContact CE2-CG1 3.97Å; F102-V134 HydrophobicContact CG-CG1 4.09Å |
| 103 | V | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -140.3 | 120.3 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | V89 I97 P99 S100 L108 V109 F135 P140 | V89-V103 HydrophobicContact CG2-CG1 4.13Å; I97-V103 HydrophobicContact CG2-CG1 4.33Å; P99-V103 CarbonylContact C-O 3.59Å; P99-V103 VanDerWaalsContact CA-O 3.28Å; P99-V103 WeakPolarHBondContact CA-O 3.45Å; S100-V103 PolarHBondContact N-O 3.46Å; S100-V103 PolarHBondContact O-N 3.41Å; S100-V103 VanDerWaalsContact O-O 3.05Å; S100-V103 PolarHBondContact OG-N 2.93Å; V103-L108 WeakPolarHBondContact CA-O 3.31Å; V103-V109 HydrophobicContact CG2-CG1 4.43Å; V103-V109 HydrophobicContact CG2-CG2 4.14Å; V103-F135 HydrophobicContact CG2-CE1 3.69Å; V103-F135 HydrophobicContact CG2-CZ 4.21Å; V103-P140 HydrophobicContact CB-CB 4.48Å; V103-P140 HydrophobicContact CG1-CB 4.41Å; V103-P140 HydrophobicContact CG2-CB 3.93Å |
| 104 | D | 95.2 | Very high | 95.4 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | trans | -81.5 | 173.5 | 178.3 | -161.7 | 4.8 | 0 | 0 | 0 | 112.1 | I97 D106 G107 L108 | I97-D104 WeakPolarHBondContact CG2-O 3.4Å; D104-D106 PolarHBondContact O-N 3.42Å; D104-G107 WeakPolarHBondContact O-CA 3.5Å; D104-G107 PolarHBondContact O-N 3.2Å; D104-L108 PolarHBondContact N-O 2.88Å | ||
| 105 | S | 94.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.1 | 179.9 | -54 | 0 | 0 | 0 | 0 | 113.6 | G107 | S105-G107 VanDerWaalsContact C-N 3.25Å; S105-G107 PolarHBondContact O-N 3.04Å |
| 106 | D | 93.6 | Very high | 95.5 | Very high | 128 Ų | 128 | 67 Ų | 67 | 68% | 0.684 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3 | 174.8 | -65.7 | -33.1 | 0 | 0 | 0 | 113.1 | D104 L108 | D104-D106 PolarHBondContact O-N 3.42Å; D106-L108 VanDerWaalsContact C-N 3.31Å |
| 107 | G | 95.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | 83.1 | 4.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y88 V89 D104 S105 V109 | Y88-G107 CarbonylContact C-O 3.59Å; Y88-G107 VanDerWaalsContact CA-O 3.31Å; Y88-G107 WeakPolarHBondContact CA-O 3.48Å; V89-G107 PolarHBondContact N-O 3.5Å; D104-G107 WeakPolarHBondContact O-CA 3.5Å; D104-G107 PolarHBondContact O-N 3.2Å; S105-G107 VanDerWaalsContact C-N 3.25Å; S105-G107 PolarHBondContact O-N 3.04Å; G107-V109 PolarHBondContact O-N 3.47Å | ||
| 108 | L | 96.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 68.8 Ų | 68.8 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 128.4 | 173.4 | 178.3 | 64.8 | 0 | 0 | 0 | 109.8 | V86 Y88 V103 D104 D106 | V86-L108 HydrophobicContact CG1-CD1 3.67Å; Y88-L108 HydrophobicContact CD1-CB 4.16Å; Y88-L108 HydrophobicContact CD1-CD1 4.49Å; Y88-L108 HydrophobicContact CE1-CB 3.72Å; Y88-L108 HydrophobicContact CE1-CD1 3.95Å; Y88-L108 HydrophobicContact CE1-CG 4.41Å; Y88-L108 HydrophobicContact CE2-CD1 4Å; V103-L108 WeakPolarHBondContact CA-O 3.31Å; D104-L108 PolarHBondContact N-O 2.88Å; D106-L108 VanDerWaalsContact C-N 3.31Å |
| 109 | V | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.2 | 179.7 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | V87 V89 F102 V103 G107 L111 L131 F135 | V87-V109 HydrophobicContact CB-CB 4.05Å; V87-V109 HydrophobicContact CB-CG2 4.26Å; V87-V109 HydrophobicContact CG1-CB 4.19Å; V87-V109 HydrophobicContact CG1-CG2 3.89Å; V87-V109 PolarHBondContact O-N 3.46Å; V89-V109 HydrophobicContact CG2-CG2 3.76Å; F102-V109 CarbonylContact O-C 3.57Å; F102-V109 VanDerWaalsContact O-CA 3.29Å; F102-V109 WeakPolarHBondContact O-CA 3.42Å; V103-V109 HydrophobicContact CG2-CG1 4.43Å; V103-V109 HydrophobicContact CG2-CG2 4.14Å; G107-V109 PolarHBondContact O-N 3.47Å; V109-L111 HydrophobicContact CG1-CD1 4.16Å; V109-L111 HydrophobicContact CG1-CG 3.9Å; V109-L131 HydrophobicContact CG1-CD2 3.77Å; V109-F135 HydrophobicContact CG1-CZ 4.38Å; V109-F135 HydrophobicContact CG2-CZ 3.99Å |
| 110 | Q | 96.5 | Very high | 95.3 | Very high | 126 Ų | 126 | 68.3 Ų | 68.3 | 59% | 0.589 | 37% | 0.367 | S | S | * | . | trans | -125.4 | 110.8 | 175.6 | -66.7 | -175.4 | -15.9 | 0 | 0 | 109 | F102 | F102-Q110 WeakPolarHBondContact CA-O 3.5Å; F102-Q110 WeakPolarHBondContact CB-O 3.33Å; F102-Q110 WeakPolarHBondContact CD1-O 3.43Å; F102-Q110 PolarHBondContact O-N 3.3Å | ||
| 111 | L | 96.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | trans | -118.1 | 148.9 | 179 | -67.9 | 173.3 | 0 | 0 | 0 | 110.9 | F102 V109 Y113 M114 T115 V130 L131 V134 | F102-L111 HydrophobicContact CB-CD2 3.77Å; F102-L111 HydrophobicContact CD1-CD2 3.81Å; F102-L111 HydrophobicContact CD2-CD2 4.41Å; F102-L111 HydrophobicContact CG-CD2 3.74Å; V109-L111 HydrophobicContact CG1-CD1 4.16Å; V109-L111 HydrophobicContact CG1-CG 3.9Å; L111-Y113 PolarHBondContact O-N 3.47Å; L111-M114 HydrophobicContact CB-CG 4.19Å; L111-M114 HydrophobicContact CB-SD 4.14Å; L111-M114 HydrophobicContact CD1-SD 4.46Å; L111-M114 HydrophobicContact CG-SD 4.4Å; L111-M114 PolarHBondContact O-N 2.93Å; L111-T115 PolarHBondContact O-N 2.83Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L111-T115 PolarHBondContact O-OG1 2.89Å; L111-V130 HydrophobicContact CD1-CG1 4.09Å; L111-L131 HydrophobicContact CD1-CD2 3.66Å; L111-L131 HydrophobicContact CD1-CG 4.15Å; L111-V134 HydrophobicContact CD2-CB 4.31Å; L111-V134 HydrophobicContact CD2-CG1 3.99Å; L111-V134 HydrophobicContact CD2-CG2 3.94Å | ||
| 112 | P | 95.9 | Very high | 95.1 | Very high | 76 Ų | 76 | 65.8 Ų | 65.8 | 49% | 0.494 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.5 | -41 | 169.6 | -27.4 | 35.4 | 0 | 0 | 0 | 112.1 | F102 M114 T115 D116 | F102-P112 HydrophobicContact CE1-CG 4.28Å; P112-M114 VanDerWaalsContact C-N 3.25Å; P112-M114 PolarHBondContact O-N 3.44Å; P112-T115 WeakPolarHBondContact O-CA 3.38Å; P112-T115 WeakPolarHBondContact O-CB 3.17Å; P112-T115 PolarHBondContact O-N 2.96Å; P112-D116 PolarHBondContact O-N 3.5Å |
| 113 | Y | 95.8 | Very high | 94.9 | Very high | 47 Ų | 47 | 65.6 Ų | 65.6 | 18% | 0.184 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.3 | -32.4 | 176.6 | -173.2 | -95.4 | 0 | 0 | 0 | 113.9 | L111 W117 A122 D123 E126 L127 V130 | L111-Y113 PolarHBondContact O-N 3.47Å; Y113-W117 HydrophobicContact CD1-CE3 4.43Å; Y113-W117 HydrophobicContact CE1-CE3 4.03Å; Y113-W117 AromaticContact CE1-CZ3 3.85Å; Y113-W117 HydrophobicContact CE1-CZ3 3.85Å; Y113-W117 PolarHBondContact O-N 3.21Å; Y113-A122 WeakPolarHBondContact OH-CA 3.42Å; Y113-D123 PolarHBondContact OH-N 3.1Å; Y113-D123 PolarHBondContact OH-O 3.23Å; Y113-E126 HydrophobicContact CE2-CG 3.96Å; Y113-E126 WeakPolarHBondContact OH-CB 3.36Å; Y113-E126 WeakPolarHBondContact OH-CG 3.2Å; Y113-E126 PolarHBondContact OH-OE2 3.43Å; Y113-L127 HydrophobicContact CD1-CB 4.34Å; Y113-L127 HydrophobicContact CD1-CD1 3.78Å; Y113-L127 HydrophobicContact CE1-CB 3.89Å; Y113-L127 HydrophobicContact CE1-CD1 4.19Å; Y113-V130 HydrophobicContact CD2-CG2 4.19Å; Y113-V130 HydrophobicContact CG-CG2 4.19Å |
| 114 | M | 95.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -80.8 | -28.4 | 175.3 | -63 | 166.8 | 71.9 | 0 | 0 | 112.2 | A84 P85 V87 L111 P112 W117 L127 | A84-M114 HydrophobicContact CB-CB 4.49Å; P85-M114 WeakPolarHBondContact O-CE 3.49Å; V87-M114 HydrophobicContact CB-CE 4.29Å; V87-M114 HydrophobicContact CG2-CE 3.98Å; V87-M114 HydrophobicContact CG2-SD 4.38Å; L111-M114 HydrophobicContact CB-CG 4.19Å; L111-M114 HydrophobicContact CB-SD 4.14Å; L111-M114 HydrophobicContact CD1-SD 4.46Å; L111-M114 HydrophobicContact CG-SD 4.4Å; L111-M114 PolarHBondContact O-N 2.93Å; P112-M114 VanDerWaalsContact C-N 3.25Å; P112-M114 PolarHBondContact O-N 3.44Å; M114-W117 VanDerWaalsContact O-CB 3.26Å; M114-W117 WeakPolarHBondContact O-CB 3.46Å; M114-L127 HydrophobicContact CG-CD1 3.64Å; M114-L127 HydrophobicContact SD-CD1 4.22Å |
| 115 | T | 94.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 63.4 Ų | 63.4 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.9 | -40.5 | 178.6 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | L111 P112 W117 | L111-T115 PolarHBondContact O-N 2.83Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L111-T115 PolarHBondContact O-OG1 2.89Å; P112-T115 WeakPolarHBondContact O-CA 3.38Å; P112-T115 WeakPolarHBondContact O-CB 3.17Å; P112-T115 PolarHBondContact O-N 2.96Å; T115-W117 VanDerWaalsContact C-N 3.27Å; T115-W117 PolarHBondContact O-N 3.31Å |
| 116 | D | 94.9 | Very high | 95 | Very high | 120 Ų | 120 | 63.9 Ų | 63.9 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -89.7 | 12.9 | 177.6 | -65.7 | -35.7 | 0 | 0 | 0 | 113 | P112 K118 | P112-D116 PolarHBondContact O-N 3.5Å; D116-K118 PolarHBondContact O-N 3.23Å |
| 117 | W | 96.5 | Very high | 95.1 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | trans | -57.1 | 119 | -175.7 | -179.7 | -81.9 | 0 | 0 | 0 | 112 | Y80 P81 A84 P85 Y113 M114 T115 A122 L127 | Y80-W117 HydrophobicContact CD2-CZ2 4.43Å; Y80-W117 HydrophobicContact CE2-CH2 4.16Å; Y80-W117 AromaticContact CE2-CZ2 3.64Å; Y80-W117 HydrophobicContact CE2-CZ2 3.64Å; P81-W117 PolarHBondContact O-NE1 2.88Å; A84-W117 HydrophobicContact CB-CB 3.66Å; A84-W117 HydrophobicContact CB-CD2 3.94Å; A84-W117 HydrophobicContact CB-CE3 4.41Å; A84-W117 HydrophobicContact CB-CG 3.58Å; P85-W117 HydrophobicContact CG-CH2 4.13Å; P85-W117 HydrophobicContact CG-CZ2 4.4Å; P85-W117 HydrophobicContact CG-CZ3 4.45Å; Y113-W117 HydrophobicContact CD1-CE3 4.43Å; Y113-W117 HydrophobicContact CE1-CE3 4.03Å; Y113-W117 AromaticContact CE1-CZ3 3.85Å; Y113-W117 HydrophobicContact CE1-CZ3 3.85Å; Y113-W117 PolarHBondContact O-N 3.21Å; M114-W117 VanDerWaalsContact O-CB 3.26Å; M114-W117 WeakPolarHBondContact O-CB 3.46Å; T115-W117 VanDerWaalsContact C-N 3.27Å; T115-W117 PolarHBondContact O-N 3.31Å; W117-A122 HydrophobicContact CD2-CB 3.66Å; W117-A122 HydrophobicContact CE3-CB 3.65Å; W117-A122 HydrophobicContact CG-CB 4.17Å; W117-A122 HydrophobicContact CH2-CB 4.23Å; W117-A122 HydrophobicContact CZ2-CB 4.24Å; W117-A122 HydrophobicContact CZ3-CB 3.95Å; W117-L127 HydrophobicContact CZ3-CB 4.2Å; W117-L127 HydrophobicContact CZ3-CD2 4.23Å | ||
| 118 | K | 95.3 | Very high | 95.2 | Very high | 148 Ų | 148 | 57.8 Ų | 57.8 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | trans | -141.3 | 123.4 | 177.2 | -70 | 178.1 | -175 | 171.8 | 0 | 110.5 | D116 D121 A122 | D116-K118 PolarHBondContact O-N 3.23Å; K118-D121 PolarHBondContact O-N 2.89Å; K118-A122 PolarHBondContact O-N 2.91Å | ||
| 119 | H | 91.1 | Very high | 95.3 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 136.8 | 169.8 | -174 | 73 | 0 | 0 | 0 | 110.1 | P81 | P81-H119 HydrophobicContact CB-CB 4.09Å; P81-H119 HydrophobicContact CG-CB 4Å; P81-H119 VanDerWaalsContact CG-CG 3.45Å; P81-H119 WeakPolarHBondContact CG-ND1 3.42Å |
| 120 | P | 92.7 | Very high | 95.2 | Very high | 98 Ų | 98 | 60.1 Ų | 60.1 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.6 | 0.2 | 9.2 | 38.4 | -36.3 | 0 | 0 | 0 | 115.8 | A122 | P120-A122 VanDerWaalsContact C-N 3.33Å; P120-A122 PolarHBondContact O-N 3Å |
| 121 | D | 92.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -30.6 | -172.2 | -58.1 | -30.4 | 0 | 0 | 0 | 112.6 | K118 | K118-D121 PolarHBondContact O-N 2.89Š|
| 122 | A | 92.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | trans | -95 | 129.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y113 W117 K118 P120 | Y113-A122 WeakPolarHBondContact OH-CA 3.42Å; W117-A122 HydrophobicContact CD2-CB 3.66Å; W117-A122 HydrophobicContact CE3-CB 3.65Å; W117-A122 HydrophobicContact CG-CB 4.17Å; W117-A122 HydrophobicContact CH2-CB 4.23Å; W117-A122 HydrophobicContact CZ2-CB 4.24Å; W117-A122 HydrophobicContact CZ3-CB 3.95Å; K118-A122 PolarHBondContact O-N 2.91Å; P120-A122 VanDerWaalsContact C-N 3.33Å; P120-A122 PolarHBondContact O-N 3Å | ||
| 123 | D | 92.2 | Very high | 95.4 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | trans | -123.7 | 163.5 | 173.9 | 88 | 26 | 0 | 0 | 0 | 113.7 | Y113 V125 E126 L127 | Y113-D123 PolarHBondContact OH-N 3.1Å; Y113-D123 PolarHBondContact OH-O 3.23Å; D123-V125 WeakPolarHBondContact OD1-CA 3.46Å; D123-V125 PolarHBondContact OD1-N 2.88Å; D123-E126 WeakPolarHBondContact OD1-CA 3.46Å; D123-E126 WeakPolarHBondContact OD1-CB 3.46Å; D123-E126 PolarHBondContact OD1-N 3.01Å; D123-L127 PolarHBondContact O-N 3.49Å | ||
| 124 | L | 95.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.1 | -26.9 | -178 | -174.3 | 59.1 | 0 | 0 | 0 | 113.4 | D24 V25 A28 L55 I74 L76 P85 L127 I128 | D24-L124 HydrophobicContact CB-CB 4.45Å; V25-L124 HydrophobicContact CG2-CD2 4.33Å; A28-L124 HydrophobicContact CB-CD2 3.84Å; A28-L124 HydrophobicContact CB-CG 4.03Å; L55-L124 HydrophobicContact CD1-CD2 3.77Å; I74-L124 HydrophobicContact CD1-CD1 4.35Å; I74-L124 HydrophobicContact CG2-CD1 3.96Å; L76-L124 HydrophobicContact CD2-CD1 4.39Å; P85-L124 HydrophobicContact CG-CD1 4.16Å; L124-L127 HydrophobicContact CD1-CD2 4.19Å; L124-I128 WeakPolarHBondContact O-CD1 3.12Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 2.96Å; L124-I128 PolarHBondContact O-N 2.98Å |
| 125 | V | 96.5 | Very high | 95.5 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -77.9 | -40.9 | -178.5 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | C27 A28 A31 F32 D123 I128 S129 | C27-V125 HydrophobicContact CB-CG2 4.27Å; A28-V125 HydrophobicContact CB-CG2 4.4Å; A31-V125 HydrophobicContact CB-CG1 4.33Å; F32-V125 HydrophobicContact CE2-CG1 4.21Å; D123-V125 WeakPolarHBondContact OD1-CA 3.46Å; D123-V125 PolarHBondContact OD1-N 2.88Å; V125-I128 PolarHBondContact O-N 3.12Å; V125-S129 PolarHBondContact O-N 3.21Å; V125-S129 PolarHBondContact O-OG 3.25Å |
| 126 | E | 96.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 172.4 | -174.4 | 171.3 | -169.1 | 0 | 0 | 110.3 | Y113 D123 I128 S129 V130 | Y113-E126 HydrophobicContact CE2-CG 3.96Å; Y113-E126 WeakPolarHBondContact OH-CB 3.36Å; Y113-E126 WeakPolarHBondContact OH-CG 3.2Å; Y113-E126 PolarHBondContact OH-OE2 3.43Å; D123-E126 WeakPolarHBondContact OD1-CA 3.46Å; D123-E126 WeakPolarHBondContact OD1-CB 3.46Å; D123-E126 PolarHBondContact OD1-N 3.01Å; E126-I128 VanDerWaalsContact C-N 3.28Å; E126-I128 PolarHBondContact O-N 2.82Å; E126-S129 CarbonylContact O-C 3.56Å; E126-S129 WeakPolarHBondContact O-CA 3.31Å; E126-S129 WeakPolarHBondContact O-CB 3.22Å; E126-S129 PolarHBondContact O-N 2.99Å; E126-V130 HydrophobicContact CG-CG2 4.4Å; E126-V130 VanDerWaalsContact O-CG2 3.31Å; E126-V130 WeakPolarHBondContact O-CG2 3.3Å; E126-V130 PolarHBondContact O-N 2.9Å |
| 127 | L | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.7 | -47.2 | 171 | 178.1 | 61 | 0 | 0 | 0 | 111.7 | P85 V87 Y113 M114 W117 D123 L124 S129 V130 L131 | P85-L127 HydrophobicContact CB-CD2 4.07Å; P85-L127 HydrophobicContact CG-CD2 3.93Å; V87-L127 HydrophobicContact CG2-CD2 4.05Å; Y113-L127 HydrophobicContact CD1-CB 4.34Å; Y113-L127 HydrophobicContact CD1-CD1 3.78Å; Y113-L127 HydrophobicContact CE1-CB 3.89Å; Y113-L127 HydrophobicContact CE1-CD1 4.19Å; M114-L127 HydrophobicContact CG-CD1 3.64Å; M114-L127 HydrophobicContact SD-CD1 4.22Å; W117-L127 HydrophobicContact CZ3-CB 4.2Å; W117-L127 HydrophobicContact CZ3-CD2 4.23Å; D123-L127 PolarHBondContact O-N 3.49Å; L124-L127 HydrophobicContact CD1-CD2 4.19Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 2.89Å; L127-V130 PolarHBondContact O-N 3.15Å; L127-L131 HydrophobicContact CG-CD1 4.38Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.93Å |
| 128 | I | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 178.3 | -62.4 | 162.9 | 0 | 0 | 0 | 111.4 | A28 F32 L35 I59 I74 L124 V125 E126 L131 Q132 | A28-I128 HydrophobicContact CB-CD1 4.18Å; F32-I128 HydrophobicContact CD1-CG2 3.89Å; F32-I128 HydrophobicContact CD2-CB 4.14Å; F32-I128 HydrophobicContact CD2-CD1 3.57Å; F32-I128 HydrophobicContact CD2-CG1 4.45Å; F32-I128 HydrophobicContact CD2-CG2 3.8Å; F32-I128 HydrophobicContact CE1-CB 4.47Å; F32-I128 HydrophobicContact CE1-CG2 3.52Å; F32-I128 HydrophobicContact CE2-CB 3.55Å; F32-I128 HydrophobicContact CE2-CD1 3.75Å; F32-I128 HydrophobicContact CE2-CG1 4.26Å; F32-I128 HydrophobicContact CE2-CG2 3.42Å; F32-I128 VanDerWaalsContact CE2-CG2 3.42Å; F32-I128 HydrophobicContact CG-CD1 4.4Å; F32-I128 HydrophobicContact CG-CG2 4.02Å; F32-I128 HydrophobicContact CZ-CB 3.75Å; F32-I128 HydrophobicContact CZ-CG2 3.28Å; L35-I128 HydrophobicContact CD1-CD1 3.72Å; I59-I128 HydrophobicContact CB-CG2 4.4Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; I74-I128 HydrophobicContact CD1-CD1 3.91Å; I74-I128 HydrophobicContact CD1-CG1 3.68Å; L124-I128 WeakPolarHBondContact O-CD1 3.12Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 2.96Å; L124-I128 PolarHBondContact O-N 2.98Å; V125-I128 PolarHBondContact O-N 3.12Å; E126-I128 VanDerWaalsContact C-N 3.28Å; E126-I128 PolarHBondContact O-N 2.82Å; I128-L131 WeakPolarHBondContact O-CB 3.04Å; I128-L131 PolarHBondContact O-N 2.93Å; I128-Q132 WeakPolarHBondContact O-CG 3.41Å; I128-Q132 PolarHBondContact O-N 3.32Å |
| 129 | S | 96.8 | Very high | 95.4 | Very high | 55 Ų | 55 | 46 Ų | 46 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | V125 E126 L127 Q132 A133 | V125-S129 PolarHBondContact O-N 3.21Å; V125-S129 PolarHBondContact O-OG 3.25Å; E126-S129 CarbonylContact O-C 3.56Å; E126-S129 WeakPolarHBondContact O-CA 3.31Å; E126-S129 WeakPolarHBondContact O-CB 3.22Å; E126-S129 PolarHBondContact O-N 2.99Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 2.89Å; S129-Q132 WeakPolarHBondContact O-CB 3.29Å; S129-Q132 PolarHBondContact O-N 3.37Å; S129-A133 PolarHBondContact O-N 2.74Å |
| 130 | V | 97.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 172.9 | 176 | 0 | 0 | 0 | 0 | 110.3 | L111 Y113 E126 L127 Q132 A133 V134 | L111-V130 HydrophobicContact CD1-CG1 4.09Å; Y113-V130 HydrophobicContact CD2-CG2 4.19Å; Y113-V130 HydrophobicContact CG-CG2 4.19Å; E126-V130 HydrophobicContact CG-CG2 4.4Å; E126-V130 VanDerWaalsContact O-CG2 3.31Å; E126-V130 WeakPolarHBondContact O-CG2 3.3Å; E126-V130 PolarHBondContact O-N 2.9Å; L127-V130 PolarHBondContact O-N 3.15Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.27Å; V130-A133 PolarHBondContact O-N 3.19Å; V130-V134 HydrophobicContact CG1-CG2 4.25Å; V130-V134 WeakPolarHBondContact O-CG2 3.26Å; V130-V134 PolarHBondContact O-N 2.78Å |
| 131 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 173 | -72.5 | 165.9 | 0 | 0 | 0 | 111.8 | I59 I72 V87 V109 L111 L127 I128 A133 F135 | I59-L131 HydrophobicContact CD1-CB 3.9Å; I72-L131 HydrophobicContact CD1-CD1 4.31Å; V87-L131 HydrophobicContact CG1-CD1 3.92Å; V87-L131 HydrophobicContact CG1-CD2 4.29Å; V87-L131 HydrophobicContact CG2-CD1 4.39Å; V109-L131 HydrophobicContact CG1-CD2 3.77Å; L111-L131 HydrophobicContact CD1-CD2 3.66Å; L111-L131 HydrophobicContact CD1-CG 4.15Å; L127-L131 HydrophobicContact CG-CD1 4.38Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.93Å; I128-L131 WeakPolarHBondContact O-CB 3.04Å; I128-L131 PolarHBondContact O-N 2.93Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.4Å; L131-F135 HydrophobicContact CB-CD2 4.45Å; L131-F135 HydrophobicContact CB-CE2 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.42Å; L131-F135 HydrophobicContact CD2-CE2 3.89Å; L131-F135 HydrophobicContact CD2-CZ 3.74Å; L131-F135 WeakPolarHBondContact O-CB 3.31Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 VanDerWaalsContact O-CG 3.23Å; L131-F135 WeakPolarHBondContact O-CG 3.46Å; L131-F135 PolarHBondContact O-N 2.95Å |
| 132 | Q | 97.2 | Very high | 95.9 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 176.5 | -72.6 | 179.1 | -47.2 | 0 | 0 | 112.7 | I59 P60 V61 I128 S129 V130 G136 | I59-Q132 HydrophobicContact CD1-CG 4.19Å; P60-Q132 WeakPolarHBondContact O-CG 3.45Å; P60-Q132 PolarHBondContact O-NE2 3.5Å; V61-Q132 HydrophobicContact CG2-CG 4.47Å; I128-Q132 WeakPolarHBondContact O-CG 3.41Å; I128-Q132 PolarHBondContact O-N 3.32Å; S129-Q132 WeakPolarHBondContact O-CB 3.29Å; S129-Q132 PolarHBondContact O-N 3.37Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.27Å; Q132-G136 PolarHBondContact O-N 2.86Å |
| 133 | A | 96.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.9 | -52.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S129 V130 L131 F135 G136 E137 | S129-A133 PolarHBondContact O-N 2.74Å; V130-A133 PolarHBondContact O-N 3.19Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.4Å; A133-F135 PolarHBondContact O-N 3.28Å; A133-G136 WeakPolarHBondContact O-CA 3.42Å; A133-G136 PolarHBondContact O-N 3.24Å; A133-E137 PolarHBondContact O-N 2.78Å |
| 134 | V | 96.6 | Very high | 95.7 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | -178.3 | 175 | 0 | 0 | 0 | 0 | 111.5 | F102 L111 V130 G136 E137 T138 | F102-V134 HydrophobicContact CB-CG1 4.36Å; F102-V134 HydrophobicContact CD2-CG1 3.44Å; F102-V134 VanDerWaalsContact CD2-CG1 3.44Å; F102-V134 HydrophobicContact CE2-CG1 3.97Å; F102-V134 HydrophobicContact CG-CG1 4.09Å; L111-V134 HydrophobicContact CD2-CB 4.31Å; L111-V134 HydrophobicContact CD2-CG1 3.99Å; L111-V134 HydrophobicContact CD2-CG2 3.94Å; V130-V134 HydrophobicContact CG1-CG2 4.25Å; V130-V134 WeakPolarHBondContact O-CG2 3.26Å; V130-V134 PolarHBondContact O-N 2.78Å; V134-G136 PolarHBondContact O-N 3.01Å; V134-E137 PolarHBondContact O-N 3.37Å; V134-T138 PolarHBondContact O-N 2.99Å |
| 135 | F | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71 | -19 | 176.8 | -64.1 | -17.2 | 0 | 0 | 0 | 113.2 | I59 V61 I70 I72 V89 V103 V109 L131 A133 T138 S139 P140 | I59-F135 HydrophobicContact CD1-CD2 4.19Å; I59-F135 HydrophobicContact CD1-CE2 4.45Å; V61-F135 HydrophobicContact CB-CB 4.47Å; V61-F135 HydrophobicContact CG1-CB 3.68Å; V61-F135 WeakPolarHBondContact CG1-O 3.44Å; V61-F135 HydrophobicContact CG2-CB 4.01Å; V61-F135 HydrophobicContact CG2-CD2 4.45Å; I70-F135 HydrophobicContact CG2-CD2 4.19Å; I70-F135 HydrophobicContact CG2-CE2 4.4Å; I72-F135 HydrophobicContact CG2-CE2 4.21Å; V89-F135 HydrophobicContact CG2-CE2 4.21Å; V89-F135 HydrophobicContact CG2-CZ 3.79Å; V103-F135 HydrophobicContact CG2-CE1 3.69Å; V103-F135 HydrophobicContact CG2-CZ 4.21Å; V109-F135 HydrophobicContact CG1-CZ 4.38Å; V109-F135 HydrophobicContact CG2-CZ 3.99Å; L131-F135 HydrophobicContact CB-CD2 4.45Å; L131-F135 HydrophobicContact CB-CE2 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.42Å; L131-F135 HydrophobicContact CD2-CE2 3.89Å; L131-F135 HydrophobicContact CD2-CZ 3.74Å; L131-F135 WeakPolarHBondContact O-CB 3.31Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 VanDerWaalsContact O-CG 3.23Å; L131-F135 WeakPolarHBondContact O-CG 3.46Å; L131-F135 PolarHBondContact O-N 2.95Å; A133-F135 PolarHBondContact O-N 3.28Å; F135-T138 WeakPolarHBondContact CA-O 3.43Å; F135-T138 CarbonylContact O-C 3.58Å; F135-S139 WeakPolarHBondContact O-CA 3.45Å; F135-S139 PolarHBondContact O-N 3.5Å; F135-P140 HydrophobicContact CB-CG 4.41Å; F135-P140 HydrophobicContact CD1-CB 4.01Å; F135-P140 HydrophobicContact CD1-CG 3.67Å; F135-P140 HydrophobicContact CD2-CG 3.86Å; F135-P140 HydrophobicContact CE1-CB 3.81Å; F135-P140 HydrophobicContact CE1-CG 3.77Å; F135-P140 HydrophobicContact CE2-CG 3.94Å; F135-P140 HydrophobicContact CG-CG 3.73Å; F135-P140 HydrophobicContact CZ-CB 4.17Å; F135-P140 HydrophobicContact CZ-CG 3.9Å |
| 136 | G | 95.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.5 | -29.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | V61 R62 Y63 Q132 A133 V134 | V61-G136 VanDerWaalsContact CG1-N 3.32Å; R62-G136 WeakPolarHBondContact O-CA 3.42Å; Y63-G136 WeakPolarHBondContact CD2-O 3.27Å; Q132-G136 PolarHBondContact O-N 2.86Å; A133-G136 WeakPolarHBondContact O-CA 3.42Å; A133-G136 PolarHBondContact O-N 3.24Å; V134-G136 PolarHBondContact O-N 3.01Å |
| 137 | E | 95.1 | Very high | 90.1 | Very high | 155 Ų | 155 | 50.4 Ų | 50.4 | 72% | 0.724 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -81.3 | -49.9 | 171.2 | -64.9 | -177.5 | 177.8 | 0 | 0 | 111.4 | A133 V134 | A133-E137 PolarHBondContact O-N 2.78Å; V134-E137 PolarHBondContact O-N 3.37Å |
| 138 | T | 94.6 | Very high | 87.7 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -129.6 | 101.6 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | V134 F135 | V134-T138 PolarHBondContact O-N 2.99Å; F135-T138 WeakPolarHBondContact CA-O 3.43Å; F135-T138 CarbonylContact O-C 3.58Å |
| 139 | S | 94.9 | Very high | 84.9 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | trans | -62.2 | 129.4 | 178.5 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | F135 V141 | F135-S139 WeakPolarHBondContact O-CA 3.45Å; F135-S139 PolarHBondContact O-N 3.5Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.39Å; S139-V141 VanDerWaalsContact OG-O 3.13Å | ||
| 140 | P | 96.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -81.8 | -3.6 | -176.7 | 36 | -39.5 | 0 | 0 | 0 | 112.9 | I70 V89 I97 K98 V103 F135 | I70-P140 HydrophobicContact CG2-CG 3.8Å; V89-P140 HydrophobicContact CG1-CB 4.36Å; V89-P140 HydrophobicContact CG1-CG 4.26Å; V89-P140 HydrophobicContact CG2-CB 3.95Å; V89-P140 HydrophobicContact CG2-CG 4.09Å; I97-P140 WeakPolarHBondContact CA-O 3.45Å; K98-P140 PolarHBondContact N-O 3.35Å; V103-P140 HydrophobicContact CB-CB 4.48Å; V103-P140 HydrophobicContact CG1-CB 4.41Å; V103-P140 HydrophobicContact CG2-CB 3.93Å; F135-P140 HydrophobicContact CB-CG 4.41Å; F135-P140 HydrophobicContact CD1-CB 4.01Å; F135-P140 HydrophobicContact CD1-CG 3.67Å; F135-P140 HydrophobicContact CD2-CG 3.86Å; F135-P140 HydrophobicContact CE1-CB 3.81Å; F135-P140 HydrophobicContact CE1-CG 3.77Å; F135-P140 HydrophobicContact CE2-CG 3.94Å; F135-P140 HydrophobicContact CG-CG 3.73Å; F135-P140 HydrophobicContact CZ-CB 4.17Å; F135-P140 HydrophobicContact CZ-CG 3.9Å |
| 141 | V | 96.7 | Very high | 79.4 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 7% | 0.067 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.3 | 178.4 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | I70 V89 P91 M95 Q96 S139 | I70-V141 HydrophobicContact CD1-CG2 3.78Å; I70-V141 HydrophobicContact CG2-CG2 4.47Å; V89-V141 HydrophobicContact CG1-CG1 3.53Å; P91-V141 HydrophobicContact CB-CG1 4.28Å; M95-V141 HydrophobicContact CB-CB 4.41Å; M95-V141 HydrophobicContact SD-CG2 4.12Å; Q96-V141 CarbonylContact O-C 3.45Å; Q96-V141 WeakPolarHBondContact O-CA 3.12Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.39Å; S139-V141 VanDerWaalsContact OG-O 3.13Å |
| 142 | F | 93.8 | Very high | 76.7 | Confident | 93 Ų | 93 | 90.5 Ų | 90.5 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.1 | 165.3 | 63.7 | -79.5 | 0 | 0 | 0 | 109.9 | M95 Q96 K98 | M95-F142 CarbonylContact C-O 3.55Å; M95-F142 VanDerWaalsContact CA-O 3.32Å; M95-F142 WeakPolarHBondContact CA-O 3.29Å; Q96-F142 HydrophobicContact CB-CD1 4.35Å; Q96-F142 HydrophobicContact CB-CE1 3.78Å; Q96-F142 HydrophobicContact CB-CE2 4.11Å; Q96-F142 HydrophobicContact CB-CZ 3.66Å; Q96-F142 HydrophobicContact CG-CE1 3.86Å; Q96-F142 HydrophobicContact CG-CZ 3.75Å; Q96-F142 PolarHBondContact N-O 3.05Å; Q96-F142 WeakPolarHBondContact O-CD1 3.48Å; Q96-F142 PolarHBondContact O-N 3.24Å; K98-F142 HydrophobicContact CB-CD1 4.01Å; K98-F142 HydrophobicContact CB-CE1 4.47Å |
| 143 | S | 91 | Very high | 74 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.8 | 174.9 | -170 | 0 | 0 | 0 | 0 | 109.6 | T94 S145 | T94-S143 CarbonylContact O-C 3.59Å; T94-S143 WeakPolarHBondContact O-CA 3.37Å; S143-S145 PolarHBondContact O-N 2.86Å |
| 144 | K | 89.5 | Confident | 71.4 | Confident | 97 Ų | 97 | 96.5 Ų | 96.5 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | trans | -61.2 | 122.5 | 166.5 | -65.7 | 174.4 | -176.5 | 155.7 | 0 | 106.7 | N93 T94 M95 Q96 A146 | N93-K144 WeakPolarHBondContact O-CD 3.44Å; N93-K144 PolarHBondContact O-NZ 3.41Å; T94-K144 PolarHBondContact O-N 2.91Å; M95-K144 WeakPolarHBondContact O-CE 3.35Å; M95-K144 PolarHBondContact O-NZ 2.81Å; Q96-K144 HydrophobicContact CB-CG 4.25Å; K144-A146 PolarHBondContact O-N 3.42Å | ||
| 145 | S | 74.7 | Confident | 69 | Low | 116 Ų | 116 | 102.2 Ų | 102.2 | 81% | 0.811 | 54% | 0.541 | S | S | * | . | trans | -57 | 110.4 | 174.5 | -60.3 | 0 | 0 | 0 | 0 | 108.7 | S143 A147 | S143-S145 PolarHBondContact O-N 2.86Å; S145-A147 PolarHBondContact O-N 3.19Å | ||
| 146 | A | 54.9 | Low | 66.9 | Low | 82 Ų | 82 | 107.8 Ų | 107.8 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | trans | -56.6 | 132.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106 | K144 I148 | K144-A146 PolarHBondContact O-N 3.42Å; A146-I148 PolarHBondContact O-N 2.89Å | ||
| 147 | A | 41.3 | Very low | 64.8 | Low | 98 Ų | 98 | 112.6 Ų | 112.6 | 81% | 0.81 | 61% | 0.605 | S | S | * | * | trans | -50.7 | 104.1 | 175 | 0 | 0 | 0 | 0 | 0 | 108.2 | S145 T149 | S145-A147 PolarHBondContact O-N 3.19Å; A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 2.93Å | ||
| 148 | I | 45.7 | Very low | 62.5 | Low | 143 Ų | 143 | 110.3 Ų | 110.3 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | trans | -69.7 | 96.3 | 175.4 | -65.4 | 171 | 0 | 0 | 0 | 104.5 | A146 R150 | A146-I148 PolarHBondContact O-N 2.89Å; I148-R150 HydrophobicContact CG2-CG 4.08Å; I148-R150 PolarHBondContact O-N 2.79Å | ||
| 149 | T | 38.6 | Very low | 60.2 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 72% | 0.718 | 63% | 0.631 | S | S | * | * | trans | -56.9 | 99.1 | 149.1 | -62.7 | 0 | 0 | 0 | 0 | 105 | A147 R151 | A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 2.93Å; T149-R151 HydrophobicContact CG2-CG 4.46Å; T149-R151 PolarHBondContact O-N 2.9Å | ||
| 150 | R | 39.5 | Very low | 57.7 | Low | 227 Ų | 227 | 119.6 Ų | 119.6 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | -60.3 | 87.6 | 169.7 | -80.5 | -174.8 | 178.7 | 174.6 | -0 | 107.4 | I148 R152 | I148-R150 HydrophobicContact CG2-CG 4.08Å; I148-R150 PolarHBondContact O-N 2.79Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.81Å | ||
| 151 | R | 41 | Very low | 55.1 | Low | 220 Ų | 220 | 128.6 Ų | 128.6 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | trans | -73.1 | 95.3 | 156 | -83.3 | -168 | 174.8 | -176.6 | -2.4 | 106.9 | T149 S153 | T149-R151 HydrophobicContact CG2-CG 4.46Å; T149-R151 PolarHBondContact O-N 2.9Å; R151-S153 PolarHBondContact O-N 2.83Å | ||
| 152 | R | 39.2 | Very low | 52.2 | Low | 230 Ų | 230 | 134.3 Ų | 134.3 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | trans | -72.2 | 106.6 | 169.4 | -156.7 | 178.5 | -175.8 | -174.6 | -0.2 | 106.8 | R150 L154 | R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.81Å; R152-L154 HydrophobicContact CG-CD1 4.43Å | ||
| 153 | S | 41.3 | Very low | 49.4 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -138.4 | 92 | 164.1 | -179.6 | 0 | 0 | 0 | 0 | 105.2 | R151 | R151-S153 PolarHBondContact O-N 2.83Š| ||
| 154 | L | 41.6 | Very low | 46.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | 42.6 | 82 | 92.1 | -71.8 | 102.7 | 0 | 0 | 0 | 112.7 | R152 | R152-L154 HydrophobicContact CG-CD1 4.43Š| |||
| 155 | N | 47.4 | Very low | 44.7 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | 162.7 | 128.3 | 114.9 | -78.5 | -14.7 | 0 | 0 | 0 | 111.1 | |||||
| 156 | P | 51.3 | Low | 43.5 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -98.7 | 146 | 157.4 | 34.3 | -25.4 | 0 | 0 | 0 | 110.7 | ||||
| 157 | P | 52.2 | Low | 42.9 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -90.7 | 119.5 | 164.4 | 30.8 | -22.9 | 0 | 0 | 0 | 110.9 | ||||
| 158 | S | 46.5 | Very low | 43.3 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 28.8 | 116.2 | 140.6 | 58 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 159 | N | 46.1 | Very low | 43 | Very low | 160 Ų | 160 | 147 Ų | 147 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | -152.1 | 135.4 | 129.7 | -137.8 | 17.5 | 0 | 0 | 0 | 110.1 | |||||
| 160 | P | 42.2 | Very low | 43.4 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | -90.8 | 166.4 | -179.8 | 34.9 | -29.5 | 0 | 0 | 0 | 111.9 | ||||
| 161 | Q | 42.9 | Very low | 43.6 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | 95.9 | 98.5 | 165.8 | -51 | -172.3 | -36.5 | 0 | 0 | 116.7 | ||||
| 162 | C | 34.7 | Very low | 43.9 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | -171.4 | 147.4 | 100.6 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 163 | I | 36.5 | Very low | 44.1 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 131.2 | -176.1 | -67.6 | 161.8 | 0 | 0 | 0 | 107.8 | ||||
| 164 | G | 38.6 | Very low | 44.7 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -172.3 | 88.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 165 | S | 42.7 | Very low | 45 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -69.7 | 135.4 | 174.4 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 166 | M | 50.2 | Low | 44.8 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | 177.9 | 132.8 | 125.4 | -107.3 | -157.6 | 179.4 | 0 | 0 | 111.4 | |||||
| 167 | P | 40.9 | Very low | 45.2 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -104 | 139.2 | 159.2 | 33.5 | -22.5 | 0 | 0 | 0 | 110.8 | ||||
| 168 | Y | 50.2 | Low | 44.8 | Very low | 213 Ų | 213 | 135.7 Ų | 135.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -117.9 | 124.5 | 166.8 | -123.7 | -82.8 | 0 | 0 | 0 | 109.3 | ||||
| 169 | P | 40.2 | Very low | 44.6 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -99 | 142.7 | 164.1 | 34.4 | -24.8 | 0 | 0 | 0 | 110 | ||||
| 170 | G | 45.8 | Very low | 44.6 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -168.3 | 97.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 171 | T | 44.8 | Very low | 44.6 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -63.9 | 148.4 | 176.6 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 172 | L | 47.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -160.8 | 122.8 | 141.5 | -99.7 | 166.9 | 0 | 0 | 0 | 109.8 | ||||
| 173 | P | 43.5 | Very low | 44.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -108 | 165.4 | 176.5 | 36.7 | -28.3 | 0 | 0 | 0 | 113.8 | ||||
| 174 | Q | 52.7 | Low | 44.6 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | 117.4 | 155.8 | 158.9 | -70.6 | -166.3 | -8.6 | 0 | 0 | 115.9 | ||||
| 175 | P | 49.2 | Very low | 44.6 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | cis | -134.6 | 166.2 | -21.7 | 30 | -9.8 | 0 | 0 | 0 | 114.5 | ||||
| 176 | P | 43.1 | Very low | 44.4 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -110.4 | 146.3 | 172.9 | 37.2 | -26.2 | 0 | 0 | 0 | 113.6 | ||||
| 177 | V | 58.9 | Low | 43.5 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -160.6 | 164.3 | 163.6 | -74.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 178 | P | 43.6 | Very low | 43.3 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | -129.5 | 165.3 | -73.2 | 31 | -10.1 | 0 | 0 | 0 | 113.6 | |||||
| 179 | V | 41.8 | Very low | 42.3 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -80.3 | 142.2 | 172.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 180 | M | 46.5 | Very low | 42 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | -148.7 | 158 | 152.1 | -98.6 | -159.1 | 69.2 | 0 | 0 | 112 | ||||
| 181 | P | 42.9 | Very low | 41.5 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -118.4 | 165.7 | -142.6 | 41.4 | -29.3 | 0 | 0 | 0 | 115.2 | ||||
| 182 | N | 36.6 | Very low | 41.2 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 40.6 | 115.6 | 142.9 | -129.3 | 38 | 0 | 0 | 0 | 119.8 | ||||
| 183 | G | 41.6 | Very low | 40.5 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -148.4 | 107.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 184 | Q | 35.8 | Very low | 40.1 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -72.1 | 174.4 | 167 | -74.9 | 171 | -51.1 | 0 | 0 | 111.4 | ||||
| 185 | S | 39.1 | Very low | 39.3 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 92.1 | 137.6 | 170.4 | 77.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 186 | S | 37.8 | Very low | 38.6 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | cis | -174.6 | 145.6 | -3.5 | 29 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 187 | N | 31.4 | Very low | 38.1 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -56.2 | 137.7 | 166.7 | -83.9 | -27 | 0 | 0 | 0 | 111.5 | ||||
| 188 | V | 35.6 | Very low | 36.9 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 75% | 0.745 | 83% | 0.826 | S | S | * | * | trans | -138.7 | 117.7 | 158.2 | -178.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 189 | Y | 29.3 | Very low | 36.6 | Very low | 215 Ų | 215 | 145.6 Ų | 145.6 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -78.8 | 145.1 | 163.3 | -85.2 | -95.8 | 0 | 0 | 0 | 110 | ||||
| 190 | L | 34.9 | Very low | 36.1 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -139.7 | 130.4 | 158.9 | -127 | 108.8 | 0 | 0 | 0 | 109.2 | ||||
| 191 | P | 35.6 | Very low | 35.5 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -97.5 | 147.6 | 175.1 | 35.7 | -28.3 | 0 | 0 | 0 | 111.5 | ||||
| 192 | Q | 37.3 | Very low | 35.2 | Very low | 196 Ų | 196 | 144 Ų | 144 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -131.5 | 125.4 | 169.2 | -172 | 170.2 | -26.3 | 0 | 0 | 110.9 | ||||
| 193 | L | 34.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -70.2 | 142 | 171.8 | -83.7 | 132.8 | 0 | 0 | 0 | 111.6 | ||||
| 194 | G | 34.9 | Very low | 35.1 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 179 | 110.8 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 195 | A | 35.9 | Very low | 35 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 96% | 0.959 | 82% | 0.818 | S | S | * | * | trans | -75.2 | 142.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 196 | G | 33.4 | Very low | 34.9 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 177.5 | 122.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q198 | G196-Q198 PolarHBondContact O-N 2.95Š| ||
| 197 | W | 33.1 | Very low | 34.9 | Very low | 265 Ų | 265 | 144.2 Ų | 144.2 | 100% | 1.004 | 81% | 0.811 | S | S | * | * | trans | -59.9 | 113.9 | -177.7 | -69.9 | 91.8 | 0 | 0 | 0 | 112.4 | ||||
| 198 | Q | 33.5 | Very low | 35 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -141.2 | 140 | 160.5 | -69 | -170.6 | -74.8 | 0 | 0 | 110.6 | G196 | G196-Q198 PolarHBondContact O-N 2.95Š| ||
| 199 | I | 37 | Very low | 35.1 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -56.9 | 136.3 | -173.3 | -60.6 | 156.8 | 0 | 0 | 0 | 110.6 | D201 | I199-D201 PolarHBondContact O-N 3.46Š| ||
| 200 | P | 32.6 | Very low | 35.5 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -88.1 | 101.4 | 179.3 | 33.3 | -28 | 0 | 0 | 0 | 110.1 | ||||
| 201 | D | 32.8 | Very low | 35.5 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -118 | 78.4 | 154.9 | -87.6 | -38.6 | 0 | 0 | 0 | 108.1 | I199 | I199-D201 PolarHBondContact O-N 3.46Š| ||
| 202 | S | 36.1 | Very low | 35.7 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -103.7 | 100.1 | 165.4 | -61.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 203 | V | 39.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -52.9 | 135.1 | 170.3 | -126.7 | 0 | 0 | 0 | 0 | 109.9 | I205 | V203-I205 PolarHBondContact O-N 3.06Å; V203-I205 VanDerWaalsContact O-N 3.12Å | ||
| 204 | P | 36.9 | Very low | 36 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -70.7 | 110.7 | 165.5 | 17.6 | -8.9 | 0 | 0 | 0 | 107.9 | L206 | P204-L206 PolarHBondContact O-N 3.41Š| ||
| 205 | I | 34.1 | Very low | 36.2 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -59.4 | 103.6 | 164.5 | -67.1 | 167.8 | 0 | 0 | 0 | 106.6 | V203 | V203-I205 PolarHBondContact O-N 3.06Å; V203-I205 VanDerWaalsContact O-N 3.12Å | ||
| 206 | L | 36.4 | Very low | 36.3 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 67% | 0.665 | 76% | 0.761 | S | S | * | * | trans | -63.7 | 139.1 | 166.4 | -104.4 | 94.4 | 0 | 0 | 0 | 108.7 | P204 N208 | P204-L206 PolarHBondContact O-N 3.41Å; L206-N208 PolarHBondContact O-N 3.33Å | ||
| 207 | P | 37.4 | Very low | 36.5 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | -62.8 | 127.1 | 171 | 27.5 | -30.7 | 0 | 0 | 0 | 108.5 | I209 | P207-I209 PolarHBondContact O-N 3.28Š| ||
| 208 | N | 34.1 | Very low | 36.8 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -38.7 | 98.7 | 174 | -167.6 | 59.6 | 0 | 0 | 0 | 111.5 | L206 P210 | L206-N208 PolarHBondContact O-N 3.33Å; N208-P210 WeakPolarHBondContact O-CD 3.29Å | ||
| 209 | I | 37.6 | Very low | 37.2 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 119.9 | 170 | -60.2 | 176.6 | 0 | 0 | 0 | 106.1 | P207 M211 | P207-I209 PolarHBondContact O-N 3.28Å; I209-M211 PolarHBondContact O-N 2.67Å; I209-M211 VanDerWaalsContact O-N 3.14Å |
| 210 | P | 38.7 | Very low | 37.2 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 119.9 | 175.1 | -10.7 | 24.2 | 0 | 0 | 0 | 108.5 | N208 | N208-P210 WeakPolarHBondContact O-CD 3.29Š|
| 211 | M | 35 | Very low | 37.4 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 83% | 0.833 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 131.3 | 170.5 | -159.7 | -174.6 | -134.1 | 0 | 0 | 108.5 | I209 Q213 | I209-M211 PolarHBondContact O-N 2.67Å; I209-M211 VanDerWaalsContact O-N 3.14Å; M211-Q213 PolarHBondContact O-N 2.83Å |
| 212 | P | 40 | Very low | 37.6 | Very low | 93 Ų | 93 | 120 Ų | 120 | 60% | 0.604 | 69% | 0.694 | S | S | * | * | trans | -69.5 | 107.2 | 177.3 | 15.5 | -9.9 | 0 | 0 | 0 | 108.2 | L214 | P212-L214 PolarHBondContact O-N 2.87Š| ||
| 213 | Q | 39.3 | Very low | 37.7 | Very low | 187 Ų | 187 | 123.9 Ų | 123.9 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | -59.1 | 126.5 | 170.8 | -65.1 | -166.9 | -59.6 | 0 | 0 | 109.1 | M211 | M211-Q213 PolarHBondContact O-N 2.83Š| ||
| 214 | L | 36.6 | Very low | 37.5 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 86% | 0.859 | 70% | 0.703 | S | S | * | * | trans | -50.3 | 127.7 | 170.4 | -115.8 | 87 | 0 | 0 | 0 | 108.9 | P212 N216 | P212-L214 PolarHBondContact O-N 2.87Å; L214-N216 PolarHBondContact O-N 3.06Å | ||
| 215 | P | 39.9 | Very low | 37.5 | Very low | 77 Ų | 77 | 122 Ų | 122 | 50% | 0.5 | 71% | 0.706 | S | S | . | * | trans | -75.6 | 112 | -175 | -11.9 | 28.4 | 0 | 0 | 0 | 109.7 | F217 M310 | P215-F217 PolarHBondContact O-N 3.2Å; P215-F217 VanDerWaalsContact O-N 3.15Å; P215-M310 HydrophobicContact CB-CE 3.31Å; P215-M310 HydrophobicContact CB-SD 3.53Å; P215-M310 VanDerWaalsContact CB-SD 3.53Å; P215-M310 HydrophobicContact CG-CE 3.74Å; P215-M310 HydrophobicContact CG-CG 4.08Å; P215-M310 HydrophobicContact CG-SD 3.41Å; P215-M310 WeakPolarHBondContact CG-SD 3.48Å | ||
| 216 | N | 38.9 | Very low | 37.5 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | trans | -67.3 | 107.1 | 175.2 | -165.6 | 74.8 | 0 | 0 | 0 | 109.7 | L214 A218 | L214-N216 PolarHBondContact O-N 3.06Å; N216-A218 PolarHBondContact O-N 2.89Å | ||
| 217 | F | 36.7 | Very low | 37.4 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 50% | 0.5 | 71% | 0.711 | S | S | . | * | trans | -70.7 | 102 | 170.8 | -97.9 | -121.3 | 0 | 0 | 0 | 110.4 | P215 I307 M310 | P215-F217 PolarHBondContact O-N 3.2Å; P215-F217 VanDerWaalsContact O-N 3.15Å; F217-I307 HydrophobicContact CD1-CD1 3.75Å; F217-I307 HydrophobicContact CD1-CG1 3.79Å; F217-I307 HydrophobicContact CE1-CB 3.79Å; F217-I307 HydrophobicContact CE1-CD1 3.23Å; F217-I307 HydrophobicContact CE1-CG1 3.06Å; F217-I307 HydrophobicContact CE1-CG2 3.62Å; F217-I307 HydrophobicContact CE2-CG1 4.26Å; F217-I307 HydrophobicContact CZ-CB 3.66Å; F217-I307 HydrophobicContact CZ-CD1 4.04Å; F217-I307 HydrophobicContact CZ-CG1 3.34Å; F217-I307 HydrophobicContact CZ-CG2 3.46Å; F217-I307 VanDerWaalsContact CZ-CG2 3.46Å; F217-M310 HydrophobicContact CD2-CE 3.61Å; F217-M310 HydrophobicContact CD2-SD 3.92Å; F217-M310 HydrophobicContact CE2-CE 3.26Å; F217-M310 HydrophobicContact CE2-SD 3.43Å; F217-M310 WeakPolarHBondContact CE2-SD 3.38Å; F217-M310 HydrophobicContact CZ-CE 4.31Å | ||
| 218 | A | 38.9 | Very low | 37.3 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | trans | -176.1 | 110.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N216 | N216-A218 PolarHBondContact O-N 2.89Š| ||
| 219 | G | 42.1 | Very low | 37.2 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | trans | 87.1 | 118.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 220 | P | 36.2 | Very low | 36.9 | Very low | 60 Ų | 60 | 122.1 Ų | 122.1 | 39% | 0.39 | 72% | 0.717 | S | S | . | * | trans | -90.4 | 150 | -178.9 | 35.9 | -30.1 | 0 | 0 | 0 | 112 | ||||
| 221 | F | 37 | Very low | 36.6 | Very low | 107 Ų | 107 | 123 Ų | 123 | 47% | 0.469 | 73% | 0.725 | S | S | . | * | 171.6 | 104.9 | 124.8 | -92 | -71.3 | 0 | 0 | 0 | 110.6 | Q295 | F221-Q295 HydrophobicContact CE1-CG 3.91Å; F221-Q295 HydrophobicContact CE2-CG 4.1Å; F221-Q295 HydrophobicContact CZ-CG 3.55Å; F221-Q295 WeakPolarHBondContact CZ-O 3.22Å | |||
| 222 | T | 38.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | 48.9 | 116 | 139.8 | 59.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 223 | Q | 36.4 | Very low | 36.5 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | -154.7 | 102.9 | 118.4 | -116.4 | 174 | 19.5 | 0 | 0 | 109.6 | |||||
| 224 | A | 36.8 | Very low | 36.2 | Very low | 100 Ų | 100 | 120 Ų | 120 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | trans | -90.3 | 114 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | N226 | A224-N226 PolarHBondContact O-N 3.46Š| ||
| 225 | A | 36.3 | Very low | 36.3 | Very low | 94 Ų | 94 | 121.4 Ų | 121.4 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -69.1 | 123.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 226 | N | 34.5 | Very low | 35.9 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -142.6 | 106.2 | 154.8 | -102.1 | -10.9 | 0 | 0 | 0 | 108.2 | A224 | A224-N226 PolarHBondContact O-N 3.46Š| ||
| 227 | T | 34.8 | Very low | 35.9 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -54 | 125.9 | 157.5 | 29.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 228 | N | 34.7 | Very low | 35.7 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | 160.4 | 126.3 | 128.3 | -80.3 | -19.6 | 0 | 0 | 0 | 113.6 | |||||
| 229 | L | 31.7 | Very low | 35.5 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | 48.8 | 115 | 139.6 | -73.6 | 87.9 | 0 | 0 | 0 | 121 | ||||
| 230 | C | 30.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | 170.3 | 103.6 | 125.9 | -86.7 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 231 | S | 34.1 | Very low | 36.1 | Very low | 124 Ų | 124 | 138 Ų | 138 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | 59.9 | 99.2 | 93.3 | -66.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 232 | M | 32.2 | Very low | 36.1 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -85 | 150 | 168.1 | -67.4 | -77.8 | -173 | 0 | 0 | 111 | ||||
| 233 | P | 39.7 | Very low | 36.4 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | trans | -108.7 | 139.5 | 144.9 | 33.1 | -22.1 | 0 | 0 | 0 | 110.3 | ||||
| 234 | G | 33.1 | Very low | 36.4 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -73.9 | 160.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 235 | Q | 38.2 | Very low | 36.4 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -147.2 | 118.6 | 150.2 | -119.4 | 177.5 | -8.9 | 0 | 0 | 109.7 | ||||
| 236 | N | 32.7 | Very low | 36.5 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -51.2 | 130.5 | 168.7 | -83.5 | -20.9 | 0 | 0 | 0 | 111.2 | ||||
| 237 | V | 37.7 | Very low | 36.7 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -133.8 | 119.4 | 146.3 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 238 | L | 32.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 138.1 | -175.7 | -74.8 | 147.7 | 0 | 0 | 0 | 111.9 | ||
| 239 | M | 35.9 | Very low | 37.1 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 82% | 0.823 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 141.8 | 163.5 | -52.2 | -76.1 | -94.3 | 0 | 0 | 108.4 | V241 | M239-V241 PolarHBondContact O-N 2.94Š|
| 240 | P | 51.2 | Low | 37.6 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 118.3 | 171.1 | -7.7 | 24.4 | 0 | 0 | 0 | 109.6 | ||
| 241 | V | 38.5 | Very low | 38.2 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 131.4 | 167 | 165.3 | 0 | 0 | 0 | 0 | 108.9 | M239 | M239-V241 PolarHBondContact O-N 2.94Š|
| 242 | C | 38.4 | Very low | 38.3 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.8 | 166.6 | -43.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 243 | P | 45.4 | Very low | 38.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 136 | 173 | -5.2 | 23.3 | 0 | 0 | 0 | 111 | ||
| 244 | D | 35.6 | Very low | 38.6 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66 | 154 | 178.1 | -146.4 | -14.3 | 0 | 0 | 0 | 112.7 | ||
| 245 | V | 36.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 127.1 | -175.9 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 246 | S | 39.3 | Very low | 39.2 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -148.1 | 126.8 | 160.9 | -78.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 247 | A | 38.3 | Very low | 39.8 | Very low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -52 | 142.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 248 | T | 38.8 | Very low | 40.6 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -143.8 | 121.8 | 132.7 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 249 | S | 38.8 | Very low | 42.2 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -60.8 | 138.8 | 171.7 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 250 | N | 42.5 | Very low | 44 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | 174.9 | 142.6 | 124.6 | -91.8 | -14.4 | 0 | 0 | 0 | 111.8 | |||||
| 251 | M | 43.5 | Very low | 45.3 | Very low | 147 Ų | 147 | 131 Ų | 131 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | 72.5 | 91.1 | 171 | -49.1 | -55.5 | 177.2 | 0 | 0 | 114.1 | ||||
| 252 | L | 35 | Very low | 47.2 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | 62.7 | 131.6 | 63.3 | -142.9 | 63.2 | 0 | 0 | 0 | 112.4 | |||||
| 253 | Y | 36.6 | Very low | 49.2 | Very low | 168 Ų | 168 | 129 Ų | 129 | 66% | 0.659 | 72% | 0.718 | S | S | * | * | trans | 57.9 | 98 | 167.1 | 17.9 | -109.8 | 0 | 0 | 0 | 120.4 | ||||
| 254 | N | 41.6 | Very low | 51.1 | Low | 155 Ų | 155 | 131.4 Ų | 131.4 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | -175.1 | 99.3 | 106.7 | -92.9 | -28.5 | 0 | 0 | 0 | 111.9 | S256 | N254-S256 PolarHBondContact O-N 3.45Š| |||
| 255 | I | 40.6 | Very low | 53.5 | Low | 169 Ų | 169 | 129.3 Ų | 129.3 | 87% | 0.867 | 70% | 0.699 | S | S | * | * | trans | -73.2 | 101.2 | 156.2 | -71.9 | 164.1 | 0 | 0 | 0 | 105.5 | ||||
| 256 | S | 43.5 | Very low | 55.9 | Low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | trans | 179.7 | 125.9 | 157.3 | -78.6 | 0 | 0 | 0 | 0 | 109.6 | N254 | N254-S256 PolarHBondContact O-N 3.45Š| ||
| 257 | T | 46.3 | Very low | 58.4 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | trans | 66.1 | 88.2 | 165.4 | 68.6 | 0 | 0 | 0 | 0 | 117.9 | N259 | T257-N259 PolarHBondContact O-N 3.29Š| ||
| 258 | L | 54.7 | Low | 61 | Low | 133 Ų | 133 | 126 Ų | 126 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | trans | -56.3 | 115 | 153.9 | -88.9 | 150.5 | 0 | 0 | 0 | 108.3 | E260 I263 | L258-E260 PolarHBondContact O-N 2.76Å; L258-I263 HydrophobicContact CB-CD1 4.19Å | ||
| 259 | N | 64.6 | Low | 63.5 | Low | 96 Ų | 96 | 122.7 Ų | 122.7 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | trans | -61.7 | 131.4 | 174.3 | -79.3 | -14.2 | 0 | 0 | 0 | 109 | T257 E261 Q262 | T257-N259 PolarHBondContact O-N 3.29Å; N259-E261 PolarHBondContact O-N 3.49Å; N259-Q262 PolarHBondContact O-N 2.94Å | ||
| 260 | E | 73.6 | Confident | 66 | Low | 140 Ų | 140 | 120.5 Ų | 120.5 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -50.3 | -30.5 | -179.9 | -167.4 | 175 | 152.3 | 0 | 0 | 112.4 | L258 I263 R264 | L258-E260 PolarHBondContact O-N 2.76Å; E260-I263 PolarHBondContact O-N 3.23Å; E260-R264 VanDerWaalsContact O-CG 3.28Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 2.86Å |
| 261 | E | 78.4 | Confident | 68.5 | Low | 142 Ų | 142 | 118 Ų | 118 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.5 | -38 | 174.9 | -72.8 | 178.6 | 149.1 | 0 | 0 | 114.5 | N259 I263 R264 L265 | N259-E261 PolarHBondContact O-N 3.49Å; E261-I263 VanDerWaalsContact C-N 3.35Å; E261-R264 PolarHBondContact O-N 3.33Å; E261-L265 WeakPolarHBondContact O-CB 3.41Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 2.84Å |
| 262 | Q | 78 | Confident | 71 | Confident | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.1 | -37.4 | 178 | -77.8 | 177 | -40.2 | 0 | 0 | 111.4 | N259 S266 | N259-Q262 PolarHBondContact O-N 2.94Å; Q262-S266 WeakPolarHBondContact O-CB 3.44Å; Q262-S266 PolarHBondContact O-N 2.81Å |
| 263 | I | 81.5 | Confident | 73.8 | Confident | 87 Ų | 87 | 110.9 Ų | 110.9 | 45% | 0.446 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.9 | -44.9 | 174.2 | -59.3 | 175.2 | 0 | 0 | 0 | 109.7 | L258 E260 E261 L265 S266 V267 | L258-I263 HydrophobicContact CB-CD1 4.19Å; E260-I263 PolarHBondContact O-N 3.23Å; E261-I263 VanDerWaalsContact C-N 3.35Å; I263-L265 PolarHBondContact O-N 2.65Å; I263-S266 WeakPolarHBondContact O-CB 3.29Å; I263-S266 PolarHBondContact O-N 2.92Å; I263-V267 HydrophobicContact CG2-CG2 4.45Å; I263-V267 WeakPolarHBondContact O-CG2 3.41Å; I263-V267 PolarHBondContact O-N 2.87Å |
| 264 | R | 86.2 | Confident | 76.5 | Confident | 173 Ų | 173 | 107.9 Ų | 107.9 | 65% | 0.653 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.9 | -43.3 | 177.5 | -72.6 | 178.7 | 93.7 | 152 | 4.6 | 112.4 | E260 E261 V267 L268 | E260-R264 VanDerWaalsContact O-CG 3.28Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 2.86Å; E261-R264 PolarHBondContact O-N 3.33Å; R264-V267 PolarHBondContact O-N 3.11Å; R264-L268 WeakPolarHBondContact O-CB 3.47Å; R264-L268 PolarHBondContact O-N 3.21Å |
| 265 | L | 85.9 | Confident | 79.1 | Confident | 113 Ų | 113 | 104.7 Ų | 104.7 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -39.5 | 175.6 | -75 | 166.9 | 0 | 0 | 0 | 112.2 | E261 I263 L268 T269 | E261-L265 WeakPolarHBondContact O-CB 3.41Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 2.84Å; I263-L265 PolarHBondContact O-N 2.65Å; L265-L268 PolarHBondContact O-N 3.24Å; L265-T269 WeakPolarHBondContact O-CB 3.48Å; L265-T269 PolarHBondContact O-N 2.69Å; L265-T269 PolarHBondContact O-OG1 2.78Å |
| 266 | S | 85.7 | Confident | 81.7 | Confident | 80 Ų | 80 | 103.8 Ų | 103.8 | 56% | 0.559 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.9 | -44.7 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 111.8 | Q262 I263 A270 | Q262-S266 WeakPolarHBondContact O-CB 3.44Å; Q262-S266 PolarHBondContact O-N 2.81Å; I263-S266 WeakPolarHBondContact O-CB 3.29Å; I263-S266 PolarHBondContact O-N 2.92Å; S266-A270 WeakPolarHBondContact O-CB 3.38Å; S266-A270 PolarHBondContact O-N 2.83Å |
| 267 | V | 91.5 | Very high | 84.2 | Confident | 85 Ų | 85 | 106.5 Ų | 106.5 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | I263 R264 T269 A270 V271 | I263-V267 HydrophobicContact CG2-CG2 4.45Å; I263-V267 WeakPolarHBondContact O-CG2 3.41Å; I263-V267 PolarHBondContact O-N 2.87Å; R264-V267 PolarHBondContact O-N 3.11Å; V267-T269 PolarHBondContact O-N 3.23Å; V267-A270 PolarHBondContact O-N 3.29Å; V267-V271 HydrophobicContact CG1-CG2 4.4Å; V267-V271 WeakPolarHBondContact O-CG2 3.3Å; V267-V271 PolarHBondContact O-N 2.89Å |
| 268 | L | 92.7 | Very high | 86.5 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 178.5 | -165.8 | 159.3 | 0 | 0 | 0 | 111.1 | R264 L265 A270 V271 V272 | R264-L268 WeakPolarHBondContact O-CB 3.47Å; R264-L268 PolarHBondContact O-N 3.21Å; L265-L268 PolarHBondContact O-N 3.24Å; L268-A270 VanDerWaalsContact C-N 3.35Å; L268-A270 PolarHBondContact O-N 2.76Å; L268-V271 PolarHBondContact O-N 2.83Å; L268-V272 HydrophobicContact CD2-CG2 3.85Å; L268-V272 WeakPolarHBondContact O-CG2 3.19Å; L268-V272 PolarHBondContact O-N 3.14Å |
| 269 | T | 91.6 | Very high | 88.5 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | L265 V267 V271 V272 D273 | L265-T269 WeakPolarHBondContact O-CB 3.48Å; L265-T269 PolarHBondContact O-N 2.69Å; L265-T269 PolarHBondContact O-OG1 2.78Å; V267-T269 PolarHBondContact O-N 3.23Å; T269-V271 PolarHBondContact O-N 2.78Å; T269-V272 PolarHBondContact O-N 3.41Å; T269-D273 WeakPolarHBondContact O-CB 3.47Å; T269-D273 PolarHBondContact O-N 2.62Å |
| 270 | A | 92.4 | Very high | 89.9 | Confident | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | S266 V267 L268 Q274 | S266-A270 WeakPolarHBondContact O-CB 3.38Å; S266-A270 PolarHBondContact O-N 2.83Å; V267-A270 PolarHBondContact O-N 3.29Å; L268-A270 VanDerWaalsContact C-N 3.35Å; L268-A270 PolarHBondContact O-N 2.76Å; A270-Q274 VanDerWaalsContact O-CB 3.32Å; A270-Q274 WeakPolarHBondContact O-CB 3.41Å; A270-Q274 PolarHBondContact O-N 2.86Å |
| 271 | V | 95.5 | Very high | 90.9 | Very high | 84 Ų | 84 | 104.2 Ų | 104.2 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | V267 L268 T269 D273 Q274 V275 | V267-V271 HydrophobicContact CG1-CG2 4.4Å; V267-V271 WeakPolarHBondContact O-CG2 3.3Å; V267-V271 PolarHBondContact O-N 2.89Å; L268-V271 PolarHBondContact O-N 2.83Å; T269-V271 PolarHBondContact O-N 2.78Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 3.26Å; V271-Q274 WeakPolarHBondContact O-CB 3.24Å; V271-Q274 PolarHBondContact O-N 3.04Å; V271-V275 WeakPolarHBondContact O-CG2 3.36Å; V271-V275 PolarHBondContact O-N 3.22Å |
| 272 | V | 94.7 | Very high | 91.7 | Very high | 68 Ų | 68 | 101.6 Ų | 101.6 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.1 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L268 T269 Q274 V275 R276 | L268-V272 HydrophobicContact CD2-CG2 3.85Å; L268-V272 WeakPolarHBondContact O-CG2 3.19Å; L268-V272 PolarHBondContact O-N 3.14Å; T269-V272 PolarHBondContact O-N 3.41Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 3.46Å; V272-V275 PolarHBondContact O-N 3.27Å; V272-R276 WeakPolarHBondContact O-CB 3.39Å; V272-R276 PolarHBondContact O-N 3.44Å |
| 273 | D | 94.1 | Very high | 92.6 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 32% | 0.321 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -32.6 | 176.1 | -78.6 | -20.3 | 0 | 0 | 0 | 112.4 | T269 V271 R276 R277 | T269-D273 WeakPolarHBondContact O-CB 3.47Å; T269-D273 PolarHBondContact O-N 2.62Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 3.26Å; D273-R276 IonicContact OD1-NH1 2.85Å; D273-R277 WeakPolarHBondContact O-CB 3.41Å; D273-R277 VanDerWaalsContact O-CG 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.14Å; D273-R277 PolarHBondContact O-N 2.89Å; D273-R277 PolarHBondContact O-NE 3.45Å |
| 274 | Q | 94.1 | Very high | 93.2 | Very high | 104 Ų | 104 | 102.5 Ų | 102.5 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 173.7 | -172.6 | 63.9 | 10.4 | 0 | 0 | 111.2 | A270 V271 V272 R276 R277 V278 | A270-Q274 VanDerWaalsContact O-CB 3.32Å; A270-Q274 WeakPolarHBondContact O-CB 3.41Å; A270-Q274 PolarHBondContact O-N 2.86Å; V271-Q274 WeakPolarHBondContact O-CB 3.24Å; V271-Q274 PolarHBondContact O-N 3.04Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 3.46Å; Q274-R276 VanDerWaalsContact C-N 3.33Å; Q274-R276 PolarHBondContact O-N 3.44Å; Q274-R277 PolarHBondContact O-N 3.39Å; Q274-V278 WeakPolarHBondContact O-CG2 3.27Å; Q274-V278 PolarHBondContact O-N 3.09Å |
| 275 | V | 95.9 | Very high | 93.7 | Very high | 89 Ų | 89 | 99.3 Ų | 99.3 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | V271 V272 R277 V278 Q279 | V271-V275 WeakPolarHBondContact O-CG2 3.36Å; V271-V275 PolarHBondContact O-N 3.22Å; V272-V275 PolarHBondContact O-N 3.27Å; V275-R277 PolarHBondContact O-N 3.47Å; V275-V278 PolarHBondContact O-N 2.99Å; V275-Q279 VanDerWaalsContact O-CB 3.28Å; V275-Q279 WeakPolarHBondContact O-CB 3.24Å; V275-Q279 PolarHBondContact O-N 3.15Å |
| 276 | R | 95.7 | Very high | 94.1 | Very high | 149 Ų | 149 | 98.9 Ų | 98.9 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 177.2 | -169.6 | -173.5 | -64.3 | 160.5 | 0.6 | 112 | V272 D273 Q274 K280 | V272-R276 WeakPolarHBondContact O-CB 3.39Å; V272-R276 PolarHBondContact O-N 3.44Å; D273-R276 IonicContact OD1-NH1 2.85Å; Q274-R276 VanDerWaalsContact C-N 3.33Å; Q274-R276 PolarHBondContact O-N 3.44Å; R276-K280 VanDerWaalsContact O-CB 3.32Å; R276-K280 WeakPolarHBondContact O-CB 3.4Å; R276-K280 PolarHBondContact O-N 3.17Å |
| 277 | R | 94.1 | Very high | 94.6 | Very high | 156 Ų | 156 | 100.3 Ų | 100.3 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -50.7 | 175.5 | -84.4 | -177.2 | -88.8 | -163.8 | -4.9 | 111.6 | D273 Q274 V275 Q279 K280 E281 | D273-R277 WeakPolarHBondContact O-CB 3.41Å; D273-R277 VanDerWaalsContact O-CG 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.14Å; D273-R277 PolarHBondContact O-N 2.89Å; D273-R277 PolarHBondContact O-NE 3.45Å; Q274-R277 PolarHBondContact O-N 3.39Å; V275-R277 PolarHBondContact O-N 3.47Å; R277-Q279 PolarHBondContact O-N 2.97Å; R277-K280 PolarHBondContact O-N 2.99Å; R277-E281 WeakPolarHBondContact O-CB 3.48Å; R277-E281 PolarHBondContact O-N 3.24Å |
| 278 | V | 96.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 101.2 Ų | 101.2 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 178.5 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | Q274 V275 K280 E281 L282 | Q274-V278 WeakPolarHBondContact O-CG2 3.27Å; Q274-V278 PolarHBondContact O-N 3.09Å; V275-V278 PolarHBondContact O-N 2.99Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 2.99Å; V278-E281 PolarHBondContact O-N 3.14Å; V278-L282 VanDerWaalsContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 PolarHBondContact O-N 3.01Å |
| 279 | Q | 95.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 99.4 Ų | 99.4 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.8 | -176.9 | -175.3 | 6.2 | 0 | 0 | 111.5 | V275 R277 L282 I283 | V275-Q279 VanDerWaalsContact O-CB 3.28Å; V275-Q279 WeakPolarHBondContact O-CB 3.24Å; V275-Q279 PolarHBondContact O-N 3.15Å; R277-Q279 PolarHBondContact O-N 2.97Å; Q279-L282 PolarHBondContact O-N 3Å; Q279-I283 HydrophobicContact CG-CD1 3.98Å; Q279-I283 VanDerWaalsContact O-CG1 3.26Å; Q279-I283 WeakPolarHBondContact O-CG1 3.26Å; Q279-I283 PolarHBondContact O-N 3.15Å |
| 280 | K | 95.4 | Very high | 95.1 | Very high | 120 Ų | 120 | 101.6 Ų | 101.6 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | -179.5 | -166 | -178.5 | -168.9 | -169.7 | 0 | 111.8 | R276 R277 V278 L282 I283 Y284 | R276-K280 VanDerWaalsContact O-CB 3.32Å; R276-K280 WeakPolarHBondContact O-CB 3.4Å; R276-K280 PolarHBondContact O-N 3.17Å; R277-K280 PolarHBondContact O-N 2.99Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 2.99Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-I283 PolarHBondContact O-N 3.41Å; K280-Y284 HydrophobicContact CD-CE2 3.89Å; K280-Y284 VanDerWaalsContact CE-OH 3.22Å; K280-Y284 WeakPolarHBondContact CE-OH 3.34Å; K280-Y284 HydrophobicContact CG-CD2 3.94Å; K280-Y284 HydrophobicContact CG-CE2 3.46Å; K280-Y284 VanDerWaalsContact CG-CE2 3.46Å; K280-Y284 WeakPolarHBondContact O-CD2 3.45Å; K280-Y284 PolarHBondContact O-N 3.4Å |
| 281 | E | 94.7 | Very high | 95.3 | Very high | 134 Ų | 134 | 104 Ų | 104 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 174.1 | -175.9 | 172.4 | -169.7 | 0 | 0 | 111.3 | R277 V278 I283 Y284 Q285 | R277-E281 WeakPolarHBondContact O-CB 3.48Å; R277-E281 PolarHBondContact O-N 3.24Å; V278-E281 PolarHBondContact O-N 3.14Å; E281-I283 PolarHBondContact O-N 2.91Å; E281-Y284 PolarHBondContact O-N 3.26Å; E281-Q285 WeakPolarHBondContact O-CB 3.33Å; E281-Q285 PolarHBondContact O-N 2.83Å |
| 282 | L | 95.6 | Very high | 95.2 | Very high | 87 Ų | 87 | 102.2 Ų | 102.2 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 178.6 | -161.9 | 69.3 | 0 | 0 | 0 | 111.9 | V278 Q279 K280 Q285 H286 | V278-L282 VanDerWaalsContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 PolarHBondContact O-N 3.01Å; Q279-L282 PolarHBondContact O-N 3Å; K280-L282 VanDerWaalsContact C-N 3.34Å; L282-Q285 PolarHBondContact O-N 2.92Å; L282-H286 VanDerWaalsContact CD1-CE1 3.45Å; L282-H286 WeakPolarHBondContact CD1-CE1 3.19Å; L282-H286 PolarHBondContact O-N 3.3Å; L282-H286 PolarHBondContact O-ND1 3.06Å |
| 283 | I | 96.1 | Very high | 95.3 | Very high | 96 Ų | 96 | 104 Ų | 104 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.6 | -71.8 | 166.1 | 0 | 0 | 0 | 110.8 | Q279 K280 E281 H286 Q287 | Q279-I283 HydrophobicContact CG-CD1 3.98Å; Q279-I283 VanDerWaalsContact O-CG1 3.26Å; Q279-I283 WeakPolarHBondContact O-CG1 3.26Å; Q279-I283 PolarHBondContact O-N 3.15Å; K280-I283 PolarHBondContact O-N 3.41Å; E281-I283 PolarHBondContact O-N 2.91Å; I283-H286 PolarHBondContact O-N 2.86Å; I283-Q287 WeakPolarHBondContact O-CB 3.25Å; I283-Q287 PolarHBondContact O-N 3.03Å |
| 284 | Y | 94.3 | Very high | 95.3 | Very high | 130 Ų | 130 | 109.5 Ų | 109.5 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 178.8 | -72.2 | -52.5 | 0 | 0 | 0 | 112.4 | K280 E281 Q287 D288 | K280-Y284 HydrophobicContact CD-CE2 3.89Å; K280-Y284 VanDerWaalsContact CE-OH 3.22Å; K280-Y284 WeakPolarHBondContact CE-OH 3.34Å; K280-Y284 HydrophobicContact CG-CD2 3.94Å; K280-Y284 HydrophobicContact CG-CE2 3.46Å; K280-Y284 VanDerWaalsContact CG-CE2 3.46Å; K280-Y284 WeakPolarHBondContact O-CD2 3.45Å; K280-Y284 PolarHBondContact O-N 3.4Å; E281-Y284 PolarHBondContact O-N 3.26Å; Y284-Q287 PolarHBondContact O-N 2.63Å; Y284-D288 PolarHBondContact O-N 2.91Å |
| 285 | Q | 95.3 | Very high | 95.4 | Very high | 105 Ų | 105 | 109.6 Ų | 109.6 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 175.9 | -174.3 | 179.8 | 4 | 0 | 0 | 111.4 | E281 L282 Q287 D288 D289 | E281-Q285 WeakPolarHBondContact O-CB 3.33Å; E281-Q285 PolarHBondContact O-N 2.83Å; L282-Q285 PolarHBondContact O-N 2.92Å; Q285-Q287 VanDerWaalsContact C-N 3.29Å; Q285-Q287 PolarHBondContact O-N 3.09Å; Q285-D288 PolarHBondContact O-N 2.58Å; Q285-D289 WeakPolarHBondContact O-CB 3.49Å; Q285-D289 PolarHBondContact O-N 2.95Å |
| 286 | H | 96.1 | Very high | 95.4 | Very high | 105 Ų | 105 | 109.2 Ų | 109.2 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 178.3 | -74.3 | 74.8 | 0 | 0 | 0 | 112.1 | L282 I283 L290 | L282-H286 VanDerWaalsContact CD1-CE1 3.45Å; L282-H286 WeakPolarHBondContact CD1-CE1 3.19Å; L282-H286 PolarHBondContact O-N 3.3Å; L282-H286 PolarHBondContact O-ND1 3.06Å; I283-H286 PolarHBondContact O-N 2.86Å; H286-L290 WeakPolarHBondContact O-CB 3.4Å; H286-L290 VanDerWaalsContact O-CG 3.26Å; H286-L290 WeakPolarHBondContact O-CG 3.26Å; H286-L290 PolarHBondContact O-N 2.8Å |
| 287 | Q | 95.6 | Very high | 95.3 | Very high | 109 Ų | 109 | 107.1 Ų | 107.1 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 175.5 | -172.3 | 174.7 | 9.9 | 0 | 0 | 111.5 | I283 Y284 Q285 L291 | I283-Q287 WeakPolarHBondContact O-CB 3.25Å; I283-Q287 PolarHBondContact O-N 3.03Å; Y284-Q287 PolarHBondContact O-N 2.63Å; Q285-Q287 VanDerWaalsContact C-N 3.29Å; Q285-Q287 PolarHBondContact O-N 3.09Å; Q287-L291 WeakPolarHBondContact O-CG 3.33Å; Q287-L291 PolarHBondContact O-N 2.99Å; Q287-L291 VanDerWaalsContact O-N 3.14Å |
| 288 | D | 94.4 | Very high | 95.4 | Very high | 105 Ų | 105 | 103.4 Ų | 103.4 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 176.1 | -162.8 | 44.3 | 0 | 0 | 0 | 111.4 | Y284 Q285 L290 L291 A292 | Y284-D288 PolarHBondContact O-N 2.91Å; Q285-D288 PolarHBondContact O-N 2.58Å; D288-L290 PolarHBondContact O-N 2.97Å; D288-L291 PolarHBondContact O-N 3.47Å; D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.96Å |
| 289 | D | 95.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 100 Ų | 100 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.8 | -74.2 | -20.1 | 0 | 0 | 0 | 111.9 | Q285 L291 A292 I293 | Q285-D289 WeakPolarHBondContact O-CB 3.49Å; Q285-D289 PolarHBondContact O-N 2.95Å; D289-L291 PolarHBondContact O-N 3.42Å; D289-A292 PolarHBondContact O-N 3.41Å; D289-I293 WeakPolarHBondContact O-CB 3.47Å; D289-I293 VanDerWaalsContact O-CG1 3.25Å; D289-I293 WeakPolarHBondContact O-CG1 3.44Å; D289-I293 PolarHBondContact O-N 3.16Å |
| 290 | L | 96.4 | Very high | 95.3 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 63% | 0.628 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 175.9 | -78.6 | 175.2 | 0 | 0 | 0 | 112.4 | H286 D288 R294 | H286-L290 WeakPolarHBondContact O-CB 3.4Å; H286-L290 VanDerWaalsContact O-CG 3.26Å; H286-L290 WeakPolarHBondContact O-CG 3.26Å; H286-L290 PolarHBondContact O-N 2.8Å; D288-L290 PolarHBondContact O-N 2.97Å; L290-R294 VanDerWaalsContact O-CB 3.28Å; L290-R294 WeakPolarHBondContact O-CB 3.43Å; L290-R294 PolarHBondContact O-N 3.49Å |
| 291 | L | 95.6 | Very high | 95.3 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 175.4 | -71.3 | 176.2 | 0 | 0 | 0 | 111.1 | Q287 D288 D289 I293 R294 Q295 | Q287-L291 WeakPolarHBondContact O-CG 3.33Å; Q287-L291 PolarHBondContact O-N 2.99Å; Q287-L291 VanDerWaalsContact O-N 3.14Å; D288-L291 PolarHBondContact O-N 3.47Å; D289-L291 PolarHBondContact O-N 3.42Å; L291-I293 PolarHBondContact O-N 3.19Å; L291-R294 PolarHBondContact O-N 2.98Å; L291-Q295 WeakPolarHBondContact O-CB 3.34Å; L291-Q295 PolarHBondContact O-N 2.65Å |
| 292 | A | 94.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 97.5 Ų | 97.5 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D288 D289 Q295 T296 | D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.96Å; D289-A292 PolarHBondContact O-N 3.41Å; A292-Q295 PolarHBondContact O-N 3.25Å; A292-T296 WeakPolarHBondContact O-CB 3.31Å; A292-T296 PolarHBondContact O-N 3.16Å; A292-T296 PolarHBondContact O-OG1 2.88Å |
| 293 | I | 95.7 | Very high | 95.3 | Very high | 107 Ų | 107 | 94.3 Ų | 94.3 | 55% | 0.549 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 176 | -68.4 | 165.8 | 0 | 0 | 0 | 110.6 | D289 L291 Q295 T296 Q297 | D289-I293 WeakPolarHBondContact O-CB 3.47Å; D289-I293 VanDerWaalsContact O-CG1 3.25Å; D289-I293 WeakPolarHBondContact O-CG1 3.44Å; D289-I293 PolarHBondContact O-N 3.16Å; L291-I293 PolarHBondContact O-N 3.19Å; I293-Q295 PolarHBondContact O-N 3.41Å; I293-T296 WeakPolarHBondContact O-CB 3Å; I293-T296 PolarHBondContact O-N 3.01Å; I293-Q297 WeakPolarHBondContact O-CB 3.49Å; I293-Q297 PolarHBondContact O-N 2.93Å |
| 294 | R | 95.3 | Very high | 95.3 | Very high | 174 Ų | 174 | 91.6 Ų | 91.6 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 178.4 | -171.8 | 175.7 | -174 | 148.4 | 1.5 | 111.7 | L290 L291 T296 Q297 T298 | L290-R294 VanDerWaalsContact O-CB 3.28Å; L290-R294 WeakPolarHBondContact O-CB 3.43Å; L290-R294 PolarHBondContact O-N 3.49Å; L291-R294 PolarHBondContact O-N 2.98Å; R294-T296 VanDerWaalsContact C-N 3.34Å; R294-Q297 PolarHBondContact O-N 3.03Å; R294-T298 WeakPolarHBondContact O-CG2 3.31Å; R294-T298 PolarHBondContact O-N 3.36Å; R294-T298 PolarHBondContact O-OG1 2.87Å |
| 295 | Q | 94.6 | Very high | 95.3 | Very high | 106 Ų | 106 | 93.8 Ų | 93.8 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 173.5 | -174.2 | 174.5 | 17.7 | 0 | 0 | 110.4 | F221 L291 A292 I293 Q297 T298 G299 | F221-Q295 HydrophobicContact CE1-CG 3.91Å; F221-Q295 HydrophobicContact CE2-CG 4.1Å; F221-Q295 HydrophobicContact CZ-CG 3.55Å; F221-Q295 WeakPolarHBondContact CZ-O 3.22Å; L291-Q295 WeakPolarHBondContact O-CB 3.34Å; L291-Q295 PolarHBondContact O-N 2.65Å; A292-Q295 PolarHBondContact O-N 3.25Å; I293-Q295 PolarHBondContact O-N 3.41Å; Q295-Q297 PolarHBondContact O-N 3Å; Q295-T298 PolarHBondContact O-N 3.23Å; Q295-T298 PolarHBondContact O-OG1 2.9Å; Q295-G299 PolarHBondContact O-N 3.25Å |
| 296 | T | 95.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | A292 I293 R294 T298 G299 L300 | A292-T296 WeakPolarHBondContact O-CB 3.31Å; A292-T296 PolarHBondContact O-N 3.16Å; A292-T296 PolarHBondContact O-OG1 2.88Å; I293-T296 WeakPolarHBondContact O-CB 3Å; I293-T296 PolarHBondContact O-N 3.01Å; R294-T296 VanDerWaalsContact C-N 3.34Å; T296-T298 PolarHBondContact O-N 3.41Å; T296-G299 PolarHBondContact O-N 3.45Å; T296-L300 HydrophobicContact CG2-CD1 4.1Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.36Å; T296-L300 PolarHBondContact O-N 3.47Å |
| 297 | Q | 94.7 | Very high | 95.4 | Very high | 106 Ų | 106 | 92.6 Ų | 92.6 | 50% | 0.495 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 176 | -178.9 | -177.6 | -0.5 | 0 | 0 | 111.1 | I293 R294 Q295 G299 L300 F301 | I293-Q297 WeakPolarHBondContact O-CB 3.49Å; I293-Q297 PolarHBondContact O-N 2.93Å; R294-Q297 PolarHBondContact O-N 3.03Å; Q295-Q297 PolarHBondContact O-N 3Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.94Å; Q297-L300 PolarHBondContact O-N 3.49Å; Q297-F301 HydrophobicContact CG-CD2 3.77Å; Q297-F301 HydrophobicContact CG-CE2 3.7Å; Q297-F301 VanDerWaalsContact O-CD2 3.27Å; Q297-F301 WeakPolarHBondContact O-CD2 3.45Å; Q297-F301 PolarHBondContact O-N 2.85Å |
| 298 | T | 95.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 92.5 Ų | 92.5 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 178 | 60 | 0 | 0 | 0 | 0 | 112.4 | R294 Q295 T296 F301 S302 | R294-T298 WeakPolarHBondContact O-CG2 3.31Å; R294-T298 PolarHBondContact O-N 3.36Å; R294-T298 PolarHBondContact O-OG1 2.87Å; Q295-T298 PolarHBondContact O-N 3.23Å; Q295-T298 PolarHBondContact O-OG1 2.9Å; T296-T298 PolarHBondContact O-N 3.41Å; T298-F301 PolarHBondContact O-N 3.12Å; T298-S302 WeakPolarHBondContact O-CB 3.44Å; T298-S302 PolarHBondContact O-N 2.99Å |
| 299 | G | 93.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 92.4 Ų | 92.4 | 3% | 0.031 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q295 T296 Q297 S302 G303 | Q295-G299 PolarHBondContact O-N 3.25Å; T296-G299 PolarHBondContact O-N 3.45Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.94Å; G299-S302 PolarHBondContact O-N 2.72Å; G299-S302 PolarHBondContact O-OG 2.89Å; G299-G303 PolarHBondContact O-N 2.81Å |
| 300 | L | 95.6 | Very high | 95.5 | Very high | 125 Ų | 125 | 90.9 Ų | 90.9 | 65% | 0.654 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 178 | -70.2 | 172.2 | 0 | 0 | 0 | 112.5 | T296 Q297 G303 G304 | T296-L300 HydrophobicContact CG2-CD1 4.1Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.36Å; T296-L300 PolarHBondContact O-N 3.47Å; Q297-L300 PolarHBondContact O-N 3.49Å; L300-G303 PolarHBondContact O-N 2.82Å; L300-G304 PolarHBondContact O-N 2.51Å |
| 301 | F | 95.8 | Very high | 95.6 | Very high | 144 Ų | 144 | 89.3 Ų | 89.3 | 63% | 0.632 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | 174.4 | -87.6 | -76.2 | 0 | 0 | 0 | 112 | Q297 T298 G303 G304 R305 | Q297-F301 HydrophobicContact CG-CD2 3.77Å; Q297-F301 HydrophobicContact CG-CE2 3.7Å; Q297-F301 VanDerWaalsContact O-CD2 3.27Å; Q297-F301 WeakPolarHBondContact O-CD2 3.45Å; Q297-F301 PolarHBondContact O-N 2.85Å; T298-F301 PolarHBondContact O-N 3.12Å; F301-G303 VanDerWaalsContact C-N 3.32Å; F301-G303 PolarHBondContact O-N 3.04Å; F301-G304 PolarHBondContact O-N 3.49Å; F301-R305 PolarHBondContact O-N 2.96Å |
| 302 | S | 94.1 | Very high | 95.6 | Very high | 47 Ų | 47 | 88.9 Ų | 88.9 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 175.7 | 79.4 | 0 | 0 | 0 | 0 | 112 | T298 G299 K306 | T298-S302 WeakPolarHBondContact O-CB 3.44Å; T298-S302 PolarHBondContact O-N 2.99Å; G299-S302 PolarHBondContact O-N 2.72Å; G299-S302 PolarHBondContact O-OG 2.89Å; S302-K306 WeakPolarHBondContact O-CG 3.48Å; S302-K306 PolarHBondContact O-N 3.12Å; S302-K306 VanDerWaalsContact O-N 3.15Å |
| 303 | G | 95.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 91.9 Ų | 91.9 | 22% | 0.216 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.2 | -58 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G299 L300 F301 R305 K306 I307 | G299-G303 PolarHBondContact O-N 2.81Å; L300-G303 PolarHBondContact O-N 2.82Å; F301-G303 VanDerWaalsContact C-N 3.32Å; F301-G303 PolarHBondContact O-N 3.04Å; G303-R305 PolarHBondContact O-N 2.83Å; G303-K306 WeakPolarHBondContact O-CB 3.42Å; G303-K306 PolarHBondContact O-N 3.2Å; G303-I307 WeakPolarHBondContact O-CG1 3.41Å; G303-I307 PolarHBondContact O-N 3.03Å |
| 304 | G | 96.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 92.6 Ų | 92.6 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -52.7 | -40 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L300 F301 I307 Q308 | L300-G304 PolarHBondContact O-N 2.51Å; F301-G304 PolarHBondContact O-N 3.49Å; G304-I307 PolarHBondContact O-N 2.97Å; G304-Q308 PolarHBondContact O-N 3.36Å |
| 305 | R | 95.6 | Very high | 95.8 | Very high | 176 Ų | 176 | 88.7 Ų | 88.7 | 66% | 0.664 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.7 | -46.5 | 175 | -118.5 | -174.9 | 66.7 | 178.1 | 0.1 | 113.1 | F301 G303 I307 Q308 E309 | F301-R305 PolarHBondContact O-N 2.96Å; G303-R305 PolarHBondContact O-N 2.83Å; R305-I307 VanDerWaalsContact C-N 3.28Å; R305-I307 PolarHBondContact O-N 3.08Å; R305-Q308 PolarHBondContact O-N 3.32Å; R305-E309 IonicContact CZ-OE1 3.49Å; R305-E309 IonicContact NE-OE1 2.65Å; R305-E309 PolarHBondContact NE-OE1 3.45Å; R305-E309 IonicContact NH2-OE1 2.72Å; R305-E309 PolarHBondContact NH2-OE1 2.92Å; R305-E309 WeakPolarHBondContact O-CG 3.45Å; R305-E309 PolarHBondContact O-N 3.5Å |
| 306 | K | 96.3 | Very high | 95.9 | Very high | 127 Ų | 127 | 90.4 Ų | 90.4 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | 177 | -71.4 | 174.8 | -179.8 | -177 | 0 | 112 | S302 G303 E309 M310 | S302-K306 WeakPolarHBondContact O-CG 3.48Å; S302-K306 PolarHBondContact O-N 3.12Å; S302-K306 VanDerWaalsContact O-N 3.15Å; G303-K306 WeakPolarHBondContact O-CB 3.42Å; G303-K306 PolarHBondContact O-N 3.2Å; K306-E309 PolarHBondContact O-N 2.88Å; K306-M310 WeakPolarHBondContact O-CB 3.43Å; K306-M310 PolarHBondContact O-N 3.47Å |
| 307 | I | 96.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 90.5 Ų | 90.5 | 30% | 0.303 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 176.4 | -63.4 | 176.8 | 0 | 0 | 0 | 109.9 | F217 G303 G304 R305 M310 I311 | F217-I307 HydrophobicContact CD1-CD1 3.75Å; F217-I307 HydrophobicContact CD1-CG1 3.79Å; F217-I307 HydrophobicContact CE1-CB 3.79Å; F217-I307 HydrophobicContact CE1-CD1 3.23Å; F217-I307 HydrophobicContact CE1-CG1 3.06Å; F217-I307 HydrophobicContact CE1-CG2 3.62Å; F217-I307 HydrophobicContact CE2-CG1 4.26Å; F217-I307 HydrophobicContact CZ-CB 3.66Å; F217-I307 HydrophobicContact CZ-CD1 4.04Å; F217-I307 HydrophobicContact CZ-CG1 3.34Å; F217-I307 HydrophobicContact CZ-CG2 3.46Å; F217-I307 VanDerWaalsContact CZ-CG2 3.46Å; G303-I307 WeakPolarHBondContact O-CG1 3.41Å; G303-I307 PolarHBondContact O-N 3.03Å; G304-I307 PolarHBondContact O-N 2.97Å; R305-I307 VanDerWaalsContact C-N 3.28Å; R305-I307 PolarHBondContact O-N 3.08Å; I307-M310 PolarHBondContact O-N 3.43Å; I307-I311 HydrophobicContact CG2-CD1 3.81Å; I307-I311 WeakPolarHBondContact O-CG1 3.39Å; I307-I311 PolarHBondContact O-N 3.36Å |
| 308 | Q | 96.2 | Very high | 96 | Very high | 106 Ų | 106 | 91.3 Ų | 91.3 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 177.8 | -167.6 | 64.3 | 38.6 | 0 | 0 | 112.4 | G304 R305 M310 I311 N312 | G304-Q308 PolarHBondContact O-N 3.36Å; R305-Q308 PolarHBondContact O-N 3.32Å; Q308-M310 VanDerWaalsContact C-N 3.28Å; Q308-M310 PolarHBondContact O-N 2.91Å; Q308-I311 PolarHBondContact O-N 3.05Å; Q308-N312 PolarHBondContact NE2-OD1 3.16Å; Q308-N312 VanDerWaalsContact O-CG 3.25Å; Q308-N312 PolarHBondContact O-N 3.39Å |
| 309 | E | 96.2 | Very high | 96 | Very high | 103 Ų | 103 | 91.5 Ų | 91.5 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 175.2 | -73.1 | 167.2 | -163.8 | 0 | 0 | 111.1 | R305 K306 N312 K313 | R305-E309 IonicContact CZ-OE1 3.49Å; R305-E309 IonicContact NE-OE1 2.65Å; R305-E309 PolarHBondContact NE-OE1 3.45Å; R305-E309 IonicContact NH2-OE1 2.72Å; R305-E309 PolarHBondContact NH2-OE1 2.92Å; R305-E309 WeakPolarHBondContact O-CG 3.45Å; R305-E309 PolarHBondContact O-N 3.5Å; K306-E309 PolarHBondContact O-N 2.88Å; E309-N312 PolarHBondContact O-N 2.94Å; E309-K313 PolarHBondContact O-N 3.24Å |
| 310 | M | 95.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 98.1 Ų | 98.1 | 18% | 0.182 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -71.7 | -38.7 | 178.5 | -165.8 | -178.3 | -32.9 | 0 | 0 | 113.5 | P215 F217 K306 I307 Q308 N312 K313 M314 | P215-M310 HydrophobicContact CB-CE 3.31Å; P215-M310 HydrophobicContact CB-SD 3.53Å; P215-M310 VanDerWaalsContact CB-SD 3.53Å; P215-M310 HydrophobicContact CG-CE 3.74Å; P215-M310 HydrophobicContact CG-CG 4.08Å; P215-M310 HydrophobicContact CG-SD 3.41Å; P215-M310 WeakPolarHBondContact CG-SD 3.48Å; F217-M310 HydrophobicContact CD2-CE 3.61Å; F217-M310 HydrophobicContact CD2-SD 3.92Å; F217-M310 HydrophobicContact CE2-CE 3.26Å; F217-M310 HydrophobicContact CE2-SD 3.43Å; F217-M310 WeakPolarHBondContact CE2-SD 3.38Å; F217-M310 HydrophobicContact CZ-CE 4.31Å; K306-M310 WeakPolarHBondContact O-CB 3.43Å; K306-M310 PolarHBondContact O-N 3.47Å; I307-M310 PolarHBondContact O-N 3.43Å; Q308-M310 VanDerWaalsContact C-N 3.28Å; Q308-M310 PolarHBondContact O-N 2.91Å; M310-N312 VanDerWaalsContact C-N 3.32Å; M310-K313 PolarHBondContact O-N 3.47Å; M310-M314 WeakPolarHBondContact O-CB 3.34Å; M310-M314 PolarHBondContact O-N 3.33Å |
| 311 | I | 97.2 | Very high | 96.2 | Very high | 87 Ų | 87 | 96.1 Ų | 96.1 | 45% | 0.446 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 173.2 | -71.7 | 166.4 | 0 | 0 | 0 | 109.8 | I307 Q308 K313 M314 Q315 | I307-I311 HydrophobicContact CG2-CD1 3.81Å; I307-I311 WeakPolarHBondContact O-CG1 3.39Å; I307-I311 PolarHBondContact O-N 3.36Å; Q308-I311 PolarHBondContact O-N 3.05Å; I311-K313 PolarHBondContact O-N 2.83Å; I311-M314 PolarHBondContact O-N 2.96Å; I311-Q315 WeakPolarHBondContact O-CB 3.44Å; I311-Q315 PolarHBondContact O-N 2.85Å |
| 312 | N | 96.6 | Very high | 96.2 | Very high | 96 Ų | 96 | 91.6 Ų | 91.6 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 177.6 | -69 | -10.6 | 0 | 0 | 0 | 111.7 | Q308 E309 M310 Q315 Q316 | Q308-N312 PolarHBondContact NE2-OD1 3.16Å; Q308-N312 VanDerWaalsContact O-CG 3.25Å; Q308-N312 PolarHBondContact O-N 3.39Å; E309-N312 PolarHBondContact O-N 2.94Å; M310-N312 VanDerWaalsContact C-N 3.32Å; N312-Q315 PolarHBondContact O-N 3.19Å; N312-Q316 PolarHBondContact O-N 3.03Å |
| 313 | K | 97.2 | Very high | 96.2 | Very high | 109 Ų | 109 | 93.4 Ų | 93.4 | 47% | 0.474 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.5 | -172.6 | -178.1 | 176.8 | -172.4 | 0 | 112 | E309 M310 I311 Q315 Q316 E317 | E309-K313 PolarHBondContact O-N 3.24Å; M310-K313 PolarHBondContact O-N 3.47Å; I311-K313 PolarHBondContact O-N 2.83Å; K313-Q315 VanDerWaalsContact C-N 3.31Å; K313-Q315 PolarHBondContact O-N 3.5Å; K313-Q316 WeakPolarHBondContact O-CB 3.5Å; K313-Q316 PolarHBondContact O-N 2.93Å; K313-E317 WeakPolarHBondContact CE-OE1 3.42Å; K313-E317 PolarHBondContact O-N 2.98Å |
| 314 | M | 96.1 | Very high | 96.2 | Very high | 121 Ų | 121 | 97 Ų | 97 | 60% | 0.596 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.8 | -36.7 | 179 | -169.4 | -178.3 | -60.2 | 0 | 0 | 111.7 | M310 I311 E317 K318 | M310-M314 WeakPolarHBondContact O-CB 3.34Å; M310-M314 PolarHBondContact O-N 3.33Å; I311-M314 PolarHBondContact O-N 2.96Å; M314-E317 PolarHBondContact O-N 3.48Å; M314-K318 WeakPolarHBondContact O-CB 3.49Å; M314-K318 PolarHBondContact O-N 3.2Å |
| 315 | Q | 96 | Very high | 96.1 | Very high | 92 Ų | 92 | 100.2 Ų | 100.2 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 174.1 | -173 | 61.7 | 31.2 | 0 | 0 | 111.4 | I311 N312 K313 K318 D319 | I311-Q315 WeakPolarHBondContact O-CB 3.44Å; I311-Q315 PolarHBondContact O-N 2.85Å; N312-Q315 PolarHBondContact O-N 3.19Å; K313-Q315 VanDerWaalsContact C-N 3.31Å; K313-Q315 PolarHBondContact O-N 3.5Å; Q315-K318 WeakPolarHBondContact O-CB 3.48Å; Q315-K318 PolarHBondContact O-N 3.39Å; Q315-D319 PolarHBondContact NE2-OD1 2.99Å; Q315-D319 VanDerWaalsContact O-CG 3.27Å; Q315-D319 PolarHBondContact O-N 3.28Å |
| 316 | Q | 96.6 | Very high | 96.2 | Very high | 142 Ų | 142 | 97.1 Ų | 97.1 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 174.6 | -174.6 | -177.7 | 21.3 | 0 | 0 | 112.4 | N312 K313 D319 R320 | N312-Q316 PolarHBondContact O-N 3.03Å; K313-Q316 WeakPolarHBondContact O-CB 3.5Å; K313-Q316 PolarHBondContact O-N 2.93Å; Q316-D319 PolarHBondContact O-N 2.97Å; Q316-R320 WeakPolarHBondContact O-CB 3.45Å; Q316-R320 PolarHBondContact O-N 2.99Å |
| 317 | E | 95.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 93 Ų | 93 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.5 | -75.2 | 179.8 | 165.5 | 0 | 0 | 111.6 | K313 M314 R320 V321 | K313-E317 WeakPolarHBondContact CE-OE1 3.42Å; K313-E317 PolarHBondContact O-N 2.98Å; M314-E317 PolarHBondContact O-N 3.48Å; E317-R320 PolarHBondContact O-N 3.35Å; E317-V321 WeakPolarHBondContact O-CG2 3.42Å; E317-V321 PolarHBondContact O-N 2.82Å |
| 318 | K | 96.6 | Very high | 96 | Very high | 123 Ų | 123 | 94 Ų | 94 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58 | -51 | 173.1 | 176.7 | -172.4 | 171.2 | 177.9 | 0 | 111.2 | M314 Q315 R320 V321 C322 | M314-K318 WeakPolarHBondContact O-CB 3.49Å; M314-K318 PolarHBondContact O-N 3.2Å; Q315-K318 WeakPolarHBondContact O-CB 3.48Å; Q315-K318 PolarHBondContact O-N 3.39Å; K318-R320 VanDerWaalsContact C-N 3.31Å; K318-R320 PolarHBondContact O-N 3.31Å; K318-V321 PolarHBondContact O-N 2.71Å; K318-C322 PolarHBondContact O-N 3.36Å; K318-C322 PolarHBondContact O-SG 3.33Å; K318-C322 VanDerWaalsContact O-SG 3.39Å |
| 319 | D | 96.4 | Very high | 96 | Very high | 81 Ų | 81 | 94.4 Ų | 94.4 | 43% | 0.433 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | -178.1 | -64.5 | -22.1 | 0 | 0 | 0 | 110.8 | Q315 Q316 C322 T323 | Q315-D319 PolarHBondContact NE2-OD1 2.99Å; Q315-D319 VanDerWaalsContact O-CG 3.27Å; Q315-D319 PolarHBondContact O-N 3.28Å; Q316-D319 PolarHBondContact O-N 2.97Å; D319-C322 PolarHBondContact O-N 3.39Å; D319-T323 WeakPolarHBondContact O-CG2 3.49Å; D319-T323 PolarHBondContact O-N 2.94Å; D319-T323 PolarHBondContact O-OG1 2.98Å |
| 320 | R | 96.8 | Very high | 96 | Very high | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59 | -51.4 | 174 | -170.9 | -173.5 | 117.5 | -151.6 | -3.7 | 111.8 | Q316 E317 K318 C322 T323 E324 | Q316-R320 WeakPolarHBondContact O-CB 3.45Å; Q316-R320 PolarHBondContact O-N 2.99Å; E317-R320 PolarHBondContact O-N 3.35Å; K318-R320 VanDerWaalsContact C-N 3.31Å; K318-R320 PolarHBondContact O-N 3.31Å; R320-C322 VanDerWaalsContact C-N 3.31Å; R320-C322 PolarHBondContact O-N 3.04Å; R320-T323 PolarHBondContact O-N 3.5Å; R320-T323 PolarHBondContact O-OG1 3.17Å; R320-E324 WeakPolarHBondContact CG-OE1 3.32Å; R320-E324 IonicContact CZ-OE1 2.8Å; R320-E324 IonicContact NE-OE1 3.04Å; R320-E324 PolarHBondContact NE-OE1 3.37Å; R320-E324 IonicContact NH2-OE1 3Å; R320-E324 PolarHBondContact O-N 2.74Å |
| 321 | V | 95.5 | Very high | 96 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | -179.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | E317 K318 T323 E324 M325 | E317-V321 WeakPolarHBondContact O-CG2 3.42Å; E317-V321 PolarHBondContact O-N 2.82Å; K318-V321 PolarHBondContact O-N 2.71Å; V321-T323 PolarHBondContact O-N 3.5Å; V321-E324 PolarHBondContact O-N 3.4Å; V321-M325 VanDerWaalsContact O-CB 3.32Å; V321-M325 WeakPolarHBondContact O-CB 3.35Å; V321-M325 PolarHBondContact O-N 2.88Å |
| 322 | C | 95.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 100.5 Ų | 100.5 | 34% | 0.338 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 174 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | K318 D319 R320 E324 M325 E326 | K318-C322 PolarHBondContact O-N 3.36Å; K318-C322 PolarHBondContact O-SG 3.33Å; K318-C322 VanDerWaalsContact O-SG 3.39Å; D319-C322 PolarHBondContact O-N 3.39Å; R320-C322 VanDerWaalsContact C-N 3.31Å; R320-C322 PolarHBondContact O-N 3.04Å; C322-E324 PolarHBondContact O-N 3.41Å; C322-M325 PolarHBondContact O-N 3.33Å; C322-E326 WeakPolarHBondContact O-CG 3.44Å; C322-E326 PolarHBondContact O-N 3.22Å |
| 323 | T | 95.7 | Very high | 95.9 | Very high | 85 Ų | 85 | 102.5 Ų | 102.5 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | D319 R320 V321 S327 | D319-T323 WeakPolarHBondContact O-CG2 3.49Å; D319-T323 PolarHBondContact O-N 2.94Å; D319-T323 PolarHBondContact O-OG1 2.98Å; R320-T323 PolarHBondContact O-N 3.5Å; R320-T323 PolarHBondContact O-OG1 3.17Å; V321-T323 PolarHBondContact O-N 3.5Å; T323-S327 PolarHBondContact O-N 3.36Å |
| 324 | E | 95.2 | Very high | 95.7 | Very high | 96 Ų | 96 | 101.7 Ų | 101.7 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 175.6 | -72.8 | 176 | -164.1 | 0 | 0 | 110.8 | R320 V321 C322 S327 V328 | R320-E324 WeakPolarHBondContact CG-OE1 3.32Å; R320-E324 IonicContact CZ-OE1 2.8Å; R320-E324 IonicContact NE-OE1 3.04Å; R320-E324 PolarHBondContact NE-OE1 3.37Å; R320-E324 IonicContact NH2-OE1 3Å; R320-E324 PolarHBondContact O-N 2.74Å; V321-E324 PolarHBondContact O-N 3.4Å; C322-E324 PolarHBondContact O-N 3.41Å; E324-S327 WeakPolarHBondContact O-CB 3.49Å; E324-S327 PolarHBondContact O-N 3.39Å; E324-V328 WeakPolarHBondContact O-CG2 3.41Å; E324-V328 PolarHBondContact O-N 3.04Å |
| 325 | M | 94.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.2 | -168.6 | 171.1 | 83 | 0 | 0 | 111.6 | V321 C322 S327 V328 E329 | V321-M325 VanDerWaalsContact O-CB 3.32Å; V321-M325 WeakPolarHBondContact O-CB 3.35Å; V321-M325 PolarHBondContact O-N 2.88Å; C322-M325 PolarHBondContact O-N 3.33Å; M325-S327 VanDerWaalsContact C-N 3.28Å; M325-S327 PolarHBondContact O-N 3.49Å; M325-V328 PolarHBondContact O-N 3.43Å; M325-V328 VanDerWaalsContact O-N 3.14Å; M325-E329 WeakPolarHBondContact O-CG 3.35Å; M325-E329 PolarHBondContact O-N 2.98Å |
| 326 | E | 95.9 | Very high | 95.4 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 174.9 | -73.5 | 178 | -170.9 | 0 | 0 | 112.3 | C322 R330 | C322-E326 WeakPolarHBondContact O-CG 3.44Å; C322-E326 PolarHBondContact O-N 3.22Å; E326-R330 WeakPolarHBondContact O-CB 3.4Å; E326-R330 PolarHBondContact O-N 2.97Å |
| 327 | S | 94.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 99.7 Ų | 99.7 | 29% | 0.287 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | T323 E324 M325 K331 | T323-S327 PolarHBondContact O-N 3.36Å; E324-S327 WeakPolarHBondContact O-CB 3.49Å; E324-S327 PolarHBondContact O-N 3.39Å; M325-S327 VanDerWaalsContact C-N 3.28Å; M325-S327 PolarHBondContact O-N 3.49Å; S327-K331 WeakPolarHBondContact O-CG 3.35Å; S327-K331 PolarHBondContact O-N 3.5Å; S327-K331 VanDerWaalsContact O-N 3.11Å |
| 328 | V | 95.3 | Very high | 94.7 | Very high | 80 Ų | 80 | 99.3 Ų | 99.3 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -45 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | E324 M325 R330 K331 I332 | E324-V328 WeakPolarHBondContact O-CG2 3.41Å; E324-V328 PolarHBondContact O-N 3.04Å; M325-V328 PolarHBondContact O-N 3.43Å; M325-V328 VanDerWaalsContact O-N 3.14Å; V328-R330 VanDerWaalsContact C-N 3.3Å; V328-R330 PolarHBondContact O-N 3.16Å; V328-K331 PolarHBondContact O-N 3.41Å; V328-K331 VanDerWaalsContact O-N 3.16Å; V328-I332 HydrophobicContact CG1-CD1 3.82Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 3.46Å |
| 329 | E | 96.2 | Very high | 94.1 | Very high | 114 Ų | 114 | 96.5 Ų | 96.5 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 175.5 | -74.5 | -176.5 | 173.8 | 0 | 0 | 112 | M325 I332 K333 | M325-E329 WeakPolarHBondContact O-CG 3.35Å; M325-E329 PolarHBondContact O-N 2.98Å; E329-I332 PolarHBondContact O-N 2.95Å; E329-K333 WeakPolarHBondContact O-CB 3.28Å; E329-K333 PolarHBondContact O-N 3.46Å |
| 330 | R | 95.8 | Very high | 93.7 | Very high | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.4 | -166.3 | -177.8 | -57.1 | 124.7 | 6.9 | 111.8 | E326 V328 I332 K333 D334 | E326-R330 WeakPolarHBondContact O-CB 3.4Å; E326-R330 PolarHBondContact O-N 2.97Å; V328-R330 VanDerWaalsContact C-N 3.3Å; V328-R330 PolarHBondContact O-N 3.16Å; R330-I332 PolarHBondContact O-N 3.42Å; R330-K333 PolarHBondContact O-N 2.92Å; R330-D334 VanDerWaalsContact O-CG 3.25Å; R330-D334 PolarHBondContact O-N 2.97Å |
| 331 | K | 96.2 | Very high | 93.1 | Very high | 129 Ų | 129 | 95.7 Ų | 95.7 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 177.2 | -74.6 | 175.1 | -178.3 | 177.9 | 0 | 112.4 | S327 V328 D334 L335 | S327-K331 WeakPolarHBondContact O-CG 3.35Å; S327-K331 PolarHBondContact O-N 3.5Å; S327-K331 VanDerWaalsContact O-N 3.11Å; V328-K331 PolarHBondContact O-N 3.41Å; V328-K331 VanDerWaalsContact O-N 3.16Å; K331-D334 PolarHBondContact O-N 3.16Å; K331-L335 WeakPolarHBondContact O-CB 3.35Å; K331-L335 VanDerWaalsContact O-CG 3.28Å; K331-L335 WeakPolarHBondContact O-CG 3.48Å; K331-L335 PolarHBondContact O-N 3.49Å |
| 332 | I | 94.7 | Very high | 92.2 | Very high | 84 Ų | 84 | 96.5 Ų | 96.5 | 43% | 0.431 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 175.5 | -71.2 | 168.7 | 0 | 0 | 0 | 109.5 | V328 E329 R330 D334 L335 E336 | V328-I332 HydrophobicContact CG1-CD1 3.82Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 3.46Å; E329-I332 PolarHBondContact O-N 2.95Å; R330-I332 PolarHBondContact O-N 3.42Å; I332-D334 VanDerWaalsContact C-N 3.34Å; I332-D334 PolarHBondContact O-N 3.43Å; I332-L335 PolarHBondContact O-N 2.72Å; I332-E336 HydrophobicContact CG2-CG 4.41Å; I332-E336 WeakPolarHBondContact O-CG 3.45Å; I332-E336 PolarHBondContact O-N 3.22Å |
| 333 | K | 95.8 | Very high | 91.4 | Very high | 138 Ų | 138 | 102 Ų | 102 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 177.9 | -171.1 | 177.2 | -177.6 | 176 | 0 | 112.4 | E329 R330 E336 V337 | E329-K333 WeakPolarHBondContact O-CB 3.28Å; E329-K333 PolarHBondContact O-N 3.46Å; R330-K333 PolarHBondContact O-N 2.92Å; K333-E336 PolarHBondContact O-N 2.93Å; K333-V337 VanDerWaalsContact O-CG2 3.3Å; K333-V337 WeakPolarHBondContact O-CG2 3.43Å; K333-V337 PolarHBondContact O-N 3.25Å |
| 334 | D | 93.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177 | -68.9 | -22 | 0 | 0 | 0 | 111.7 | R330 K331 I332 T338 | R330-D334 VanDerWaalsContact O-CG 3.25Å; R330-D334 PolarHBondContact O-N 2.97Å; K331-D334 PolarHBondContact O-N 3.16Å; I332-D334 VanDerWaalsContact C-N 3.34Å; I332-D334 PolarHBondContact O-N 3.43Å; D334-T338 WeakPolarHBondContact O-CB 3.49Å; D334-T338 PolarHBondContact O-N 3.14Å; D334-T338 PolarHBondContact O-OG1 2.99Å |
| 335 | L | 91.8 | Very high | 89.4 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.7 | -40.9 | 175.5 | -75.2 | 172.6 | 0 | 0 | 0 | 112.3 | K331 I332 T338 S339 | K331-L335 WeakPolarHBondContact O-CB 3.35Å; K331-L335 VanDerWaalsContact O-CG 3.28Å; K331-L335 WeakPolarHBondContact O-CG 3.48Å; K331-L335 PolarHBondContact O-N 3.49Å; I332-L335 PolarHBondContact O-N 2.72Å; L335-T338 PolarHBondContact O-N 3.11Å; L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 2.86Å |
| 336 | E | 93.1 | Very high | 87.7 | Confident | 126 Ų | 126 | 106.2 Ų | 106.2 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -46.1 | 174.4 | -75.8 | 178 | 168.3 | 0 | 0 | 111.3 | I332 K333 T338 S339 E340 | I332-E336 HydrophobicContact CG2-CG 4.41Å; I332-E336 WeakPolarHBondContact O-CG 3.45Å; I332-E336 PolarHBondContact O-N 3.22Å; K333-E336 PolarHBondContact O-N 2.93Å; E336-T338 VanDerWaalsContact C-N 3.33Å; E336-T338 PolarHBondContact O-N 3.07Å; E336-S339 PolarHBondContact O-N 3.16Å; E336-E340 WeakPolarHBondContact O-CB 3.41Å; E336-E340 PolarHBondContact O-N 3.37Å |
| 337 | V | 92.3 | Very high | 86 | Confident | 68 Ų | 68 | 105.9 Ų | 105.9 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.4 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | K333 K341 | K333-V337 VanDerWaalsContact O-CG2 3.3Å; K333-V337 WeakPolarHBondContact O-CG2 3.43Å; K333-V337 PolarHBondContact O-N 3.25Å; V337-K341 HydrophobicContact CG1-CD 4.25Å; V337-K341 VanDerWaalsContact O-CG 3.3Å; V337-K341 WeakPolarHBondContact O-CG 3.31Å; V337-K341 PolarHBondContact O-N 3.12Å |
| 338 | T | 86.1 | Confident | 84.4 | Confident | 76 Ų | 76 | 111.5 Ų | 111.5 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.2 | -42.5 | 178.9 | -57 | 0 | 0 | 0 | 0 | 111.5 | D334 L335 E336 K341 L342 | D334-T338 WeakPolarHBondContact O-CB 3.49Å; D334-T338 PolarHBondContact O-N 3.14Å; D334-T338 PolarHBondContact O-OG1 2.99Å; L335-T338 PolarHBondContact O-N 3.11Å; E336-T338 VanDerWaalsContact C-N 3.33Å; E336-T338 PolarHBondContact O-N 3.07Å; T338-K341 WeakPolarHBondContact O-CB 3.41Å; T338-K341 PolarHBondContact O-N 3.34Å; T338-L342 PolarHBondContact O-N 3.02Å |
| 339 | S | 84.5 | Confident | 82.9 | Confident | 65 Ų | 65 | 113.6 Ų | 113.6 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.5 | -45.5 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | L335 E336 K341 L342 R343 | L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 2.86Å; E336-S339 PolarHBondContact O-N 3.16Å; S339-K341 PolarHBondContact O-N 3.38Å; S339-L342 WeakPolarHBondContact O-CB 3.47Å; S339-L342 PolarHBondContact O-N 2.9Å; S339-L342 VanDerWaalsContact O-N 3.15Å; S339-R343 WeakPolarHBondContact O-CG 3.17Å; S339-R343 PolarHBondContact O-N 3.04Å |
| 340 | E | 87.1 | Confident | 81.6 | Confident | 76 Ų | 76 | 112.6 Ų | 112.6 | 36% | 0.355 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.3 | -34.5 | 178.1 | -173.1 | 60 | -162.5 | 0 | 0 | 112.6 | E336 R343 K344 | E336-E340 WeakPolarHBondContact O-CB 3.41Å; E336-E340 PolarHBondContact O-N 3.37Å; E340-R343 IonicContact OE2-CZ 3.94Å; E340-R343 IonicContact OE2-NH1 3.64Å; E340-R343 PolarHBondContact OE2-NH1 3Å; E340-K344 WeakPolarHBondContact O-CG 3.37Å; E340-K344 PolarHBondContact O-N 3.25Å; E340-K344 WeakPolarHBondContact OE1-CE 3.23Å; E340-K344 IonicContact OE1-NZ 3.67Å |
| 341 | K | 84.5 | Confident | 80.3 | Confident | 131 Ų | 131 | 111 Ų | 111 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -41.7 | 170.2 | -74.7 | 171.8 | -178.7 | 176.8 | 0 | 111.6 | V337 T338 S339 K344 S345 | V337-K341 HydrophobicContact CG1-CD 4.25Å; V337-K341 VanDerWaalsContact O-CG 3.3Å; V337-K341 WeakPolarHBondContact O-CG 3.31Å; V337-K341 PolarHBondContact O-N 3.12Å; T338-K341 WeakPolarHBondContact O-CB 3.41Å; T338-K341 PolarHBondContact O-N 3.34Å; S339-K341 PolarHBondContact O-N 3.38Å; K341-K344 PolarHBondContact O-N 3.34Å; K341-S345 PolarHBondContact O-N 2.8Å; K341-S345 PolarHBondContact O-OG 3.37Å |
| 342 | L | 76.6 | Confident | 79 | Confident | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.9 | -43.5 | 179.1 | -136.3 | 74.7 | 0 | 0 | 0 | 111.2 | T338 S339 K344 S345 F349 | T338-L342 PolarHBondContact O-N 3.02Å; S339-L342 WeakPolarHBondContact O-CB 3.47Å; S339-L342 PolarHBondContact O-N 2.9Å; S339-L342 VanDerWaalsContact O-N 3.15Å; L342-K344 VanDerWaalsContact C-N 3.26Å; L342-K344 PolarHBondContact O-N 2.85Å; L342-S345 PolarHBondContact O-N 3.39Å; L342-F349 HydrophobicContact CD1-CE2 4.41Å; L342-F349 HydrophobicContact CD2-CE2 4.23Å; L342-F349 HydrophobicContact CD2-CZ 4.46Å; L342-F349 HydrophobicContact CG-CE2 4.49Å |
| 343 | R | 79.1 | Confident | 77.9 | Confident | 165 Ų | 165 | 113.5 Ų | 113.5 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.2 | -29.9 | 176.1 | -71.8 | 177.5 | 73.4 | -138.5 | 4.4 | 113.8 | S339 E340 | S339-R343 WeakPolarHBondContact O-CG 3.17Å; S339-R343 PolarHBondContact O-N 3.04Å; E340-R343 IonicContact OE2-CZ 3.94Å; E340-R343 IonicContact OE2-NH1 3.64Å; E340-R343 PolarHBondContact OE2-NH1 3Å |
| 344 | K | 80 | Confident | 76.5 | Confident | 155 Ų | 155 | 110.7 Ų | 110.7 | 67% | 0.674 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -81.1 | -19.9 | 175.4 | -70.9 | 174.9 | -175.4 | 172.9 | 0 | 112.9 | E340 K341 L342 D346 | E340-K344 WeakPolarHBondContact O-CG 3.37Å; E340-K344 PolarHBondContact O-N 3.25Å; E340-K344 WeakPolarHBondContact OE1-CE 3.23Å; E340-K344 IonicContact OE1-NZ 3.67Å; K341-K344 PolarHBondContact O-N 3.34Å; L342-K344 VanDerWaalsContact C-N 3.26Å; L342-K344 PolarHBondContact O-N 2.85Å; K344-D346 PolarHBondContact O-N 2.99Å; K344-D346 VanDerWaalsContact O-N 3.1Å |
| 345 | S | 69.6 | Low | 75.3 | Confident | 79 Ų | 79 | 114 Ų | 114 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | trans | -88.8 | 55.1 | -176.7 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | K341 L342 S347 | K341-S345 PolarHBondContact O-N 2.8Å; K341-S345 PolarHBondContact O-OG 3.37Å; L342-S345 PolarHBondContact O-N 3.39Å; S345-S347 VanDerWaalsContact C-N 3.29Å; S345-S347 PolarHBondContact O-N 3.01Å; S345-S347 VanDerWaalsContact O-N 3.09Å | ||
| 346 | D | 59.2 | Low | 74.4 | Confident | 142 Ų | 142 | 113 Ų | 113 | 76% | 0.759 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 29.4 | -159.4 | -123.8 | 4.3 | 0 | 0 | 0 | 114.5 | K344 | K344-D346 PolarHBondContact O-N 2.99Å; K344-D346 VanDerWaalsContact O-N 3.1Å |
| 347 | S | 59.9 | Low | 74 | Confident | 103 Ų | 103 | 108.8 Ų | 108.8 | 72% | 0.72 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 0.1 | -168.5 | 30.9 | 0 | 0 | 0 | 0 | 120.2 | S345 | S345-S347 VanDerWaalsContact C-N 3.29Å; S345-S347 PolarHBondContact O-N 3.01Å; S345-S347 VanDerWaalsContact O-N 3.09Å |
| 348 | N | 61.4 | Low | 73.6 | Confident | 159 Ų | 159 | 112.7 Ų | 112.7 | 85% | 0.85 | 59% | 0.586 | S | S | * | * | trans | -165.5 | 51.4 | 170 | -90.2 | -29.4 | 0 | 0 | 0 | 112.9 | I350 | N348-I350 PolarHBondContact O-N 3.4Š| ||
| 349 | F | 62.7 | Low | 73.7 | Confident | 124 Ų | 124 | 110.7 Ų | 110.7 | 54% | 0.544 | 58% | 0.577 | S | S | . | * | trans | -81 | 99.8 | 176.5 | -166.9 | -100.8 | 0 | 0 | 0 | 110.5 | L342 I351 V354 | L342-F349 HydrophobicContact CD1-CE2 4.41Å; L342-F349 HydrophobicContact CD2-CE2 4.23Å; L342-F349 HydrophobicContact CD2-CZ 4.46Å; L342-F349 HydrophobicContact CG-CE2 4.49Å; F349-I351 HydrophobicContact CD1-CG1 4.15Å; F349-I351 HydrophobicContact CE1-CG1 4.37Å; F349-I351 PolarHBondContact O-N 3.02Å; F349-V354 HydrophobicContact CD1-CG2 4.39Å; F349-V354 HydrophobicContact CE1-CG2 3.36Å; F349-V354 HydrophobicContact CE2-CG2 3.77Å; F349-V354 HydrophobicContact CZ-CB 4.37Å; F349-V354 HydrophobicContact CZ-CG2 3Å | ||
| 350 | I | 69 | Low | 74.1 | Confident | 92 Ų | 92 | 112.9 Ų | 112.9 | 47% | 0.472 | 59% | 0.59 | S | S | . | * | trans | -78.5 | 107.3 | 170.1 | -58.1 | 173.7 | 0 | 0 | 0 | 106.7 | N348 D352 E353 | N348-I350 PolarHBondContact O-N 3.4Å; I350-D352 HydrophobicContact CG2-CB 4.02Å; I350-D352 PolarHBondContact O-N 2.96Å; I350-D352 VanDerWaalsContact O-N 3.08Å; I350-E353 HydrophobicContact CB-CG 4.16Å; I350-E353 HydrophobicContact CG2-CG 4.26Å; I350-E353 PolarHBondContact O-N 3.21Å | ||
| 351 | I | 69.9 | Low | 74.3 | Confident | 111 Ų | 111 | 111.7 Ų | 111.7 | 57% | 0.569 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -52 | -34.7 | -179.3 | -64.4 | 170.1 | 0 | 0 | 0 | 111.1 | F349 E353 V354 F355 | F349-I351 HydrophobicContact CD1-CG1 4.15Å; F349-I351 HydrophobicContact CE1-CG1 4.37Å; F349-I351 PolarHBondContact O-N 3.02Å; I351-E353 VanDerWaalsContact C-N 3.28Å; I351-E353 PolarHBondContact O-N 3.08Å; I351-V354 WeakPolarHBondContact O-CB 3.41Å; I351-V354 WeakPolarHBondContact O-CG2 3.28Å; I351-V354 PolarHBondContact O-N 3.07Å; I351-F355 HydrophobicContact CG2-CD2 4.43Å; I351-F355 HydrophobicContact CG2-CE2 3.86Å; I351-F355 WeakPolarHBondContact O-CD2 3.39Å |
| 352 | D | 68.6 | Low | 74.6 | Confident | 128 Ų | 128 | 110.1 Ų | 110.1 | 68% | 0.684 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.1 | -22.9 | -179.4 | -58.6 | -24.3 | 0 | 0 | 0 | 113.8 | I350 V354 | I350-D352 HydrophobicContact CG2-CB 4.02Å; I350-D352 PolarHBondContact O-N 2.96Å; I350-D352 VanDerWaalsContact O-N 3.08Å; D352-V354 VanDerWaalsContact C-N 3.3Å |
| 353 | E | 71.3 | Confident | 75.3 | Confident | 136 Ų | 136 | 110.6 Ų | 110.6 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -78 | -16.5 | 176.8 | -70.8 | -167.6 | 169.9 | 0 | 0 | 113.3 | I350 I351 F355 | I350-E353 HydrophobicContact CB-CG 4.16Å; I350-E353 HydrophobicContact CG2-CG 4.26Å; I350-E353 PolarHBondContact O-N 3.21Å; I351-E353 VanDerWaalsContact C-N 3.28Å; I351-E353 PolarHBondContact O-N 3.08Å; E353-F355 VanDerWaalsContact C-N 3.32Å |
| 354 | V | 67 | Low | 76 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72.6 | -32.8 | 177.5 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | F349 I351 D352 D356 | F349-V354 HydrophobicContact CD1-CG2 4.39Å; F349-V354 HydrophobicContact CE1-CG2 3.36Å; F349-V354 HydrophobicContact CE2-CG2 3.77Å; F349-V354 HydrophobicContact CZ-CB 4.37Å; F349-V354 HydrophobicContact CZ-CG2 3Å; I351-V354 WeakPolarHBondContact O-CB 3.41Å; I351-V354 WeakPolarHBondContact O-CG2 3.28Å; I351-V354 PolarHBondContact O-N 3.07Å; D352-V354 VanDerWaalsContact C-N 3.3Å; V354-D356 PolarHBondContact O-N 3.47Å |
| 355 | F | 66.9 | Low | 76.6 | Confident | 161 Ų | 161 | 101.2 Ų | 101.2 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | trans | -94.6 | 78.2 | -177.3 | -60.4 | -75.5 | 0 | 0 | 0 | 109.5 | I351 E353 | I351-F355 HydrophobicContact CG2-CD2 4.43Å; I351-F355 HydrophobicContact CG2-CE2 3.86Å; I351-F355 WeakPolarHBondContact O-CD2 3.39Å; E353-F355 VanDerWaalsContact C-N 3.32Å | ||
| 356 | D | 74.1 | Confident | 77.7 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | trans | -89.8 | 147.9 | 167.3 | -152.7 | -1.1 | 0 | 0 | 0 | 111.2 | V354 R363 | V354-D356 PolarHBondContact O-N 3.47Å; D356-R363 WeakPolarHBondContact OD1-CD 3.4Å; D356-R363 IonicContact OD1-CZ 2.81Å; D356-R363 IonicContact OD1-NE 3.99Å; D356-R363 IonicContact OD1-NH1 2.65Å; D356-R363 PolarHBondContact OD1-NH1 2.89Å; D356-R363 IonicContact OD2-NH1 2.86Å; D356-R363 PolarHBondContact OD2-NH1 3.4Å | ||
| 357 | T | 83.9 | Confident | 79.2 | Confident | 37 Ų | 37 | 98.3 Ų | 98.3 | 23% | 0.227 | 52% | 0.522 | C | S | . | . | trans | -83 | 157.5 | 172.6 | 65.9 | 0 | 0 | 0 | 0 | 110.4 | A359 R363 V366 | T357-A359 PolarHBondContact O-N 3.48Å; T357-A359 VanDerWaalsContact O-N 3.08Å; T357-A359 PolarHBondContact OG1-O 2.97Å; T357-R363 VanDerWaalsContact OG1-CA 3.28Å; T357-R363 WeakPolarHBondContact OG1-CA 3.44Å; T357-R363 WeakPolarHBondContact OG1-CB 3.34Å; T357-R363 PolarHBondContact OG1-N 3.19Å; T357-V366 HydrophobicContact CG2-CG2 3.92Å | ||
| 358 | T | 85.3 | Confident | 80.8 | Confident | 149 Ų | 149 | 94 Ų | 94 | 91% | 0.914 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -62.2 | -20.4 | -177.7 | -39.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 359 | A | 87.9 | Confident | 82.4 | Confident | 34 Ų | 34 | 90.4 Ų | 90.4 | 28% | 0.281 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -145.1 | 149.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T357 L361 Y362 R363 | T357-A359 PolarHBondContact O-N 3.48Å; T357-A359 VanDerWaalsContact O-N 3.08Å; T357-A359 PolarHBondContact OG1-O 2.97Å; A359-L361 PolarHBondContact O-N 2.98Å; A359-Y362 HydrophobicContact CB-CD2 3.67Å; A359-Y362 HydrophobicContact CB-CE2 4.03Å; A359-Y362 PolarHBondContact O-N 2.92Å; A359-R363 PolarHBondContact O-N 3.25Å |
| 360 | P | 91.2 | Very high | 83.9 | Confident | 112 Ų | 112 | 87.1 Ų | 87.1 | 73% | 0.727 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -55.3 | -32 | -177.9 | -26.6 | 33.9 | 0 | 0 | 0 | 114.6 | R363 Q364 | P360-R363 PolarHBondContact O-N 3.43Å; P360-Q364 PolarHBondContact O-N 3.44Å |
| 361 | L | 91.8 | Very high | 85.1 | Confident | 51 Ų | 51 | 85.4 Ų | 85.4 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 177.7 | -179.1 | 65.7 | 0 | 0 | 0 | 112 | A359 R363 Q364 L365 C417 K420 A421 | A359-L361 PolarHBondContact O-N 2.98Å; L361-R363 VanDerWaalsContact C-N 3.33Å; L361-Q364 PolarHBondContact O-N 2.67Å; L361-L365 PolarHBondContact O-N 2.94Å; L361-C417 HydrophobicContact CD1-CB 4.26Å; L361-K420 HydrophobicContact CD1-CB 4.36Å; L361-K420 HydrophobicContact CD2-CB 3.97Å; L361-A421 HydrophobicContact CD2-CB 4.01Å |
| 362 | Y | 92 | Very high | 86.3 | Confident | 98 Ų | 98 | 80.8 Ų | 80.8 | 38% | 0.384 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69 | -36 | 177.9 | -61.8 | -59.1 | 0 | 0 | 0 | 110.7 | A359 Q364 L365 V366 A421 | A359-Y362 HydrophobicContact CB-CD2 3.67Å; A359-Y362 HydrophobicContact CB-CE2 4.03Å; A359-Y362 PolarHBondContact O-N 2.92Å; Y362-Q364 VanDerWaalsContact C-N 3.34Å; Y362-Q364 PolarHBondContact O-N 3.35Å; Y362-L365 WeakPolarHBondContact O-CB 3.43Å; Y362-L365 PolarHBondContact O-N 3.28Å; Y362-V366 WeakPolarHBondContact O-CG2 3.37Å; Y362-V366 PolarHBondContact O-N 3.04Å; Y362-A421 HydrophobicContact CE1-CB 3.86Å |
| 363 | R | 91.1 | Very high | 87.6 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 174.8 | -169.3 | -178.5 | 177.2 | 104.9 | 1.5 | 110.2 | D356 T357 A359 P360 L361 L365 V366 V367 | D356-R363 WeakPolarHBondContact OD1-CD 3.4Å; D356-R363 IonicContact OD1-CZ 2.81Å; D356-R363 IonicContact OD1-NE 3.99Å; D356-R363 IonicContact OD1-NH1 2.65Å; D356-R363 PolarHBondContact OD1-NH1 2.89Å; D356-R363 IonicContact OD2-NH1 2.86Å; D356-R363 PolarHBondContact OD2-NH1 3.4Å; T357-R363 VanDerWaalsContact OG1-CA 3.28Å; T357-R363 WeakPolarHBondContact OG1-CA 3.44Å; T357-R363 WeakPolarHBondContact OG1-CB 3.34Å; T357-R363 PolarHBondContact OG1-N 3.19Å; A359-R363 PolarHBondContact O-N 3.25Å; P360-R363 PolarHBondContact O-N 3.43Å; L361-R363 VanDerWaalsContact C-N 3.33Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.25Å; R363-V366 PolarHBondContact O-N 3.44Å; R363-V367 HydrophobicContact CG-CG2 4.44Å; R363-V367 WeakPolarHBondContact O-CB 3.41Å; R363-V367 VanDerWaalsContact O-CG2 3.29Å; R363-V367 WeakPolarHBondContact O-CG2 3.29Å; R363-V367 PolarHBondContact O-N 3.4Å |
| 364 | Q | 93.1 | Very high | 88.8 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 176.3 | -174.1 | 176.2 | 7.9 | 0 | 0 | 111.9 | P360 L361 Y362 S368 T413 | P360-Q364 PolarHBondContact O-N 3.44Å; L361-Q364 PolarHBondContact O-N 2.67Å; Y362-Q364 VanDerWaalsContact C-N 3.34Å; Y362-Q364 PolarHBondContact O-N 3.35Å; Q364-S368 VanDerWaalsContact O-CB 3.23Å; Q364-S368 WeakPolarHBondContact O-CB 3.28Å; Q364-S368 PolarHBondContact O-N 2.81Å; Q364-S368 PolarHBondContact O-OG 3.48Å; Q364-T413 HydrophobicContact CG-CG2 4.47Å |
| 365 | L | 92.9 | Very high | 90.2 | Very high | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.6 | -50.8 | 177.1 | 179.4 | 65.6 | 0 | 0 | 0 | 111.6 | L361 Y362 R363 S368 F369 V414 C417 R418 L423 | L361-L365 PolarHBondContact O-N 2.94Å; Y362-L365 WeakPolarHBondContact O-CB 3.43Å; Y362-L365 PolarHBondContact O-N 3.28Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.25Å; L365-S368 PolarHBondContact O-N 3.19Å; L365-F369 VanDerWaalsContact O-CB 3.31Å; L365-F369 WeakPolarHBondContact O-CB 3.34Å; L365-F369 PolarHBondContact O-N 3.02Å; L365-V414 HydrophobicContact CD1-CB 4.31Å; L365-V414 HydrophobicContact CD1-CG1 3.82Å; L365-V414 HydrophobicContact CD1-CG2 4.49Å; L365-C417 HydrophobicContact CB-CB 4.05Å; L365-C417 HydrophobicContact CD1-CB 3.77Å; L365-C417 HydrophobicContact CG-CB 4.46Å; L365-R418 HydrophobicContact CD1-CG 3.78Å; L365-R418 HydrophobicContact CD2-CG 4.32Å; L365-L423 HydrophobicContact CD2-CD1 3.79Å |
| 366 | V | 91.6 | Very high | 91.6 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | -178.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | T357 Y362 R363 S368 F369 A370 | T357-V366 HydrophobicContact CG2-CG2 3.92Å; Y362-V366 WeakPolarHBondContact O-CG2 3.37Å; Y362-V366 PolarHBondContact O-N 3.04Å; R363-V366 PolarHBondContact O-N 3.44Å; V366-S368 PolarHBondContact O-N 2.87Å; V366-F369 PolarHBondContact O-N 3.41Å; V366-A370 VanDerWaalsContact O-CB 3.29Å; V366-A370 WeakPolarHBondContact O-CB 3.5Å; V366-A370 PolarHBondContact O-N 3.05Å |
| 367 | V | 92.5 | Very high | 92.7 | Very high | 77 Ų | 77 | 67.7 Ų | 67.7 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | R363 F369 A370 E371 | R363-V367 HydrophobicContact CG-CG2 4.44Å; R363-V367 WeakPolarHBondContact O-CB 3.41Å; R363-V367 VanDerWaalsContact O-CG2 3.29Å; R363-V367 WeakPolarHBondContact O-CG2 3.29Å; R363-V367 PolarHBondContact O-N 3.4Å; V367-F369 VanDerWaalsContact C-N 3.33Å; V367-F369 PolarHBondContact O-N 3.39Å; V367-A370 PolarHBondContact O-N 2.96Å; V367-E371 WeakPolarHBondContact O-CB 3.22Å; V367-E371 PolarHBondContact O-N 3.27Å |
| 368 | S | 93.6 | Very high | 93.3 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 8% | 0.077 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | -179.1 | -55 | 0 | 0 | 0 | 0 | 111.9 | Q364 L365 V366 E372 | Q364-S368 VanDerWaalsContact O-CB 3.23Å; Q364-S368 WeakPolarHBondContact O-CB 3.28Å; Q364-S368 PolarHBondContact O-N 2.81Å; Q364-S368 PolarHBondContact O-OG 3.48Å; L365-S368 PolarHBondContact O-N 3.19Å; V366-S368 PolarHBondContact O-N 2.87Å; S368-E372 WeakPolarHBondContact O-CB 3.4Å; S368-E372 PolarHBondContact O-N 2.92Å |
| 369 | F | 94.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 62.5 Ų | 62.5 | 37% | 0.368 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.4 | -42.6 | 177.7 | -175.2 | -100.5 | 0 | 0 | 0 | 112.1 | L365 V366 V367 E371 E372 Q373 V414 L426 | L365-F369 VanDerWaalsContact O-CB 3.31Å; L365-F369 WeakPolarHBondContact O-CB 3.34Å; L365-F369 PolarHBondContact O-N 3.02Å; V366-F369 PolarHBondContact O-N 3.41Å; V367-F369 VanDerWaalsContact C-N 3.33Å; V367-F369 PolarHBondContact O-N 3.39Å; F369-E371 VanDerWaalsContact C-N 3.31Å; F369-E371 PolarHBondContact O-N 3.43Å; F369-E372 WeakPolarHBondContact O-CB 3.45Å; F369-E372 PolarHBondContact O-N 3.2Å; F369-Q373 HydrophobicContact CD1-CG 4.31Å; F369-Q373 HydrophobicContact CE1-CG 3.92Å; F369-Q373 HydrophobicContact CZ-CG 4.08Å; F369-Q373 WeakPolarHBondContact O-CG 3.39Å; F369-Q373 PolarHBondContact O-N 3.29Å; F369-V414 HydrophobicContact CB-CG2 4.09Å; F369-V414 HydrophobicContact CD2-CG1 4.41Å; F369-L426 HydrophobicContact CE2-CD1 4.41Å |
| 370 | A | 93.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V366 V367 E372 Q373 A374 | V366-A370 VanDerWaalsContact O-CB 3.29Å; V366-A370 WeakPolarHBondContact O-CB 3.5Å; V366-A370 PolarHBondContact O-N 3.05Å; V367-A370 PolarHBondContact O-N 2.96Å; A370-E372 VanDerWaalsContact C-N 3.34Å; A370-Q373 PolarHBondContact O-N 2.98Å; A370-A374 WeakPolarHBondContact O-CB 3.4Å; A370-A374 PolarHBondContact O-N 2.91Å |
| 371 | E | 95.3 | Very high | 94.3 | Very high | 56 Ų | 56 | 70 Ų | 70 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 175.6 | -165.6 | -177.4 | 154.2 | 0 | 0 | 112.1 | V367 F369 A374 I375 R406 L410 | V367-E371 WeakPolarHBondContact O-CB 3.22Å; V367-E371 PolarHBondContact O-N 3.27Å; F369-E371 VanDerWaalsContact C-N 3.31Å; F369-E371 PolarHBondContact O-N 3.43Å; E371-A374 PolarHBondContact O-N 3.13Å; E371-I375 VanDerWaalsContact O-CG1 3.32Å; E371-I375 WeakPolarHBondContact O-CG1 3.45Å; E371-I375 PolarHBondContact O-N 3.39Å; E371-R406 IonicContact OE1-CZ 3.88Å; E371-R406 IonicContact OE1-NE 3.69Å; E371-R406 PolarHBondContact OE1-NE 3.3Å; E371-R406 IonicContact OE1-NH2 2.88Å; E371-R406 PolarHBondContact OE1-NH2 2.94Å; E371-L410 HydrophobicContact CB-CD1 3.91Å; E371-L410 HydrophobicContact CB-CD2 4.23Å; E371-L410 HydrophobicContact CG-CD1 3.67Å; E371-L410 HydrophobicContact CG-CD2 4.38Å |
| 372 | E | 95 | Very high | 94.4 | Very high | 15 Ų | 15 | 69 Ų | 69 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 174.6 | -173.4 | -162.7 | 154.6 | 0 | 0 | 111.8 | S368 F369 A370 I375 E376 Q407 L410 R411 | S368-E372 WeakPolarHBondContact O-CB 3.4Å; S368-E372 PolarHBondContact O-N 2.92Å; F369-E372 WeakPolarHBondContact O-CB 3.45Å; F369-E372 PolarHBondContact O-N 3.2Å; A370-E372 VanDerWaalsContact C-N 3.34Å; E372-I375 PolarHBondContact O-N 3.39Å; E372-E376 PolarHBondContact O-N 3.27Å; E372-Q407 HydrophobicContact CG-CG 3.88Å; E372-L410 HydrophobicContact CB-CB 4.23Å; E372-R411 HydrophobicContact CG-CG 3.98Å; E372-R411 WeakPolarHBondContact OE1-CG 3.49Å; E372-R411 IonicContact OE1-CZ 3.39Å; E372-R411 IonicContact OE1-NE 3.88Å; E372-R411 PolarHBondContact OE1-NE 3.06Å; E372-R411 IonicContact OE1-NH2 3.47Å; E372-R411 PolarHBondContact OE1-NH2 2.92Å |
| 373 | Q | 95.5 | Very high | 94.4 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 177.7 | -64.8 | -58.6 | -43.8 | 0 | 0 | 111.4 | F369 A370 I375 E376 D377 | F369-Q373 HydrophobicContact CD1-CG 4.31Å; F369-Q373 HydrophobicContact CE1-CG 3.92Å; F369-Q373 HydrophobicContact CZ-CG 4.08Å; F369-Q373 WeakPolarHBondContact O-CG 3.39Å; F369-Q373 PolarHBondContact O-N 3.29Å; A370-Q373 PolarHBondContact O-N 2.98Å; Q373-I375 PolarHBondContact O-N 3.47Å; Q373-E376 WeakPolarHBondContact O-CB 3.47Å; Q373-E376 PolarHBondContact O-N 3.41Å; Q373-D377 PolarHBondContact O-N 3.36Å; Q373-D377 VanDerWaalsContact O-N 3.13Å |
| 374 | A | 96.5 | Very high | 94.5 | Very high | 55 Ų | 55 | 63.8 Ų | 63.8 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A370 E371 A378 | A370-A374 WeakPolarHBondContact O-CB 3.4Å; A370-A374 PolarHBondContact O-N 2.91Å; E371-A374 PolarHBondContact O-N 3.13Å; A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.27Å; A374-A378 PolarHBondContact O-N 3.17Å |
| 375 | I | 96.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 174 | -70.3 | 170.3 | 0 | 0 | 0 | 111.6 | E371 E372 Q373 D377 A378 I379 L403 R406 Q407 L410 | E371-I375 VanDerWaalsContact O-CG1 3.32Å; E371-I375 WeakPolarHBondContact O-CG1 3.45Å; E371-I375 PolarHBondContact O-N 3.39Å; E372-I375 PolarHBondContact O-N 3.39Å; Q373-I375 PolarHBondContact O-N 3.47Å; I375-D377 VanDerWaalsContact C-N 3.35Å; I375-A378 PolarHBondContact O-N 3.02Å; I375-I379 HydrophobicContact CG2-CD1 3.84Å; I375-I379 HydrophobicContact CG2-CG1 4.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.49Å; I375-I379 PolarHBondContact O-N 2.97Å; I375-L403 HydrophobicContact CG1-CD2 4.36Å; I375-L403 HydrophobicContact CG2-CB 3.89Å; I375-L403 HydrophobicContact CG2-CD2 4.37Å; I375-R406 HydrophobicContact CD1-CB 3.93Å; I375-R406 HydrophobicContact CD1-CG 3.75Å; I375-Q407 HydrophobicContact CD1-CB 4.39Å; I375-Q407 HydrophobicContact CG2-CB 3.94Å; I375-Q407 HydrophobicContact CG2-CG 4.33Å; I375-L410 HydrophobicContact CD1-CD1 3.48Å; I375-L410 VanDerWaalsContact CD1-CD1 3.48Å |
| 376 | E | 95.7 | Very high | 94.4 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 176.8 | -169.1 | 162.8 | 177 | 0 | 0 | 111 | E372 Q373 A378 I379 Y380 | E372-E376 PolarHBondContact O-N 3.27Å; Q373-E376 WeakPolarHBondContact O-CB 3.47Å; Q373-E376 PolarHBondContact O-N 3.41Å; E376-A378 PolarHBondContact O-N 3.32Å; E376-I379 PolarHBondContact O-N 3.5Å; E376-Y380 PolarHBondContact O-N 3.03Å |
| 377 | D | 97.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 172.7 | -69.4 | -19.1 | 0 | 0 | 0 | 112 | Q373 I375 I379 Y380 Y381 | Q373-D377 PolarHBondContact O-N 3.36Å; Q373-D377 VanDerWaalsContact O-N 3.13Å; I375-D377 VanDerWaalsContact C-N 3.35Å; D377-I379 VanDerWaalsContact C-N 3.32Å; D377-I379 PolarHBondContact O-N 2.85Å; D377-Y380 WeakPolarHBondContact O-CB 3.38Å; D377-Y380 PolarHBondContact O-N 2.65Å; D377-Y381 WeakPolarHBondContact O-CD2 3.36Å; D377-Y381 PolarHBondContact O-N 2.99Å |
| 378 | A | 96.3 | Very high | 94.3 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | A374 I375 E376 L382 L403 | A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.27Å; A374-A378 PolarHBondContact O-N 3.17Å; I375-A378 PolarHBondContact O-N 3.02Å; E376-A378 PolarHBondContact O-N 3.32Å; A378-L382 WeakPolarHBondContact O-CB 3.45Å; A378-L382 PolarHBondContact O-N 3.36Å; A378-L403 HydrophobicContact CB-CD1 4.13Å |
| 379 | I | 95.3 | Very high | 94.1 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 19% | 0.185 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 175.5 | -69 | 169.5 | 0 | 0 | 0 | 110.4 | I375 E376 D377 L382 G383 L403 | I375-I379 HydrophobicContact CG2-CD1 3.84Å; I375-I379 HydrophobicContact CG2-CG1 4.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.49Å; I375-I379 PolarHBondContact O-N 2.97Å; E376-I379 PolarHBondContact O-N 3.5Å; D377-I379 VanDerWaalsContact C-N 3.32Å; D377-I379 PolarHBondContact O-N 2.85Å; I379-L382 PolarHBondContact O-N 3.21Å; I379-G383 PolarHBondContact O-N 3.16Å; I379-L403 HydrophobicContact CD1-CB 4.13Å; I379-L403 HydrophobicContact CG1-CB 4.02Å; I379-L403 HydrophobicContact CG1-CD1 3.92Å |
| 380 | Y | 95.1 | Very high | 94 | Very high | 153 Ų | 153 | 70.8 Ų | 70.8 | 60% | 0.6 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.8 | -53.6 | 175.7 | 175.6 | -91.8 | 0 | 0 | 0 | 111.8 | E376 D377 L382 G383 E384 | E376-Y380 PolarHBondContact O-N 3.03Å; D377-Y380 WeakPolarHBondContact O-CB 3.38Å; D377-Y380 PolarHBondContact O-N 2.65Å; Y380-L382 VanDerWaalsContact C-N 3.31Å; Y380-L382 PolarHBondContact O-N 2.96Å; Y380-G383 WeakPolarHBondContact O-CA 3.29Å; Y380-G383 PolarHBondContact O-N 3.08Å; Y380-E384 PolarHBondContact O-N 2.78Å |
| 381 | Y | 95.1 | Very high | 93.7 | Very high | 149 Ų | 149 | 70.8 Ų | 70.8 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.8 | -30.4 | 179.8 | -74.5 | -65.5 | 0 | 0 | 0 | 113.2 | D377 G383 E384 A385 | D377-Y381 WeakPolarHBondContact O-CD2 3.36Å; D377-Y381 PolarHBondContact O-N 2.99Å; Y381-G383 VanDerWaalsContact C-N 3.33Å; Y381-E384 PolarHBondContact O-N 3.2Å; Y381-A385 WeakPolarHBondContact O-CB 3.46Å; Y381-A385 PolarHBondContact O-N 2.95Å |
| 382 | L | 93.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 171.1 | -166.8 | 78.2 | 0 | 0 | 0 | 110.7 | A378 I379 Y380 A385 M386 F391 Y396 K399 V400 | A378-L382 WeakPolarHBondContact O-CB 3.45Å; A378-L382 PolarHBondContact O-N 3.36Å; I379-L382 PolarHBondContact O-N 3.21Å; Y380-L382 VanDerWaalsContact C-N 3.31Å; Y380-L382 PolarHBondContact O-N 2.96Å; L382-A385 PolarHBondContact O-N 2.8Å; L382-M386 PolarHBondContact O-N 3.42Å; L382-F391 HydrophobicContact CD1-CE1 3.78Å; L382-F391 HydrophobicContact CD1-CE2 4.06Å; L382-F391 HydrophobicContact CD1-CZ 3.33Å; L382-F391 HydrophobicContact CG-CE2 4.21Å; L382-F391 HydrophobicContact CG-CZ 3.68Å; L382-F391 WeakPolarHBondContact O-CZ 3.4Å; L382-Y396 HydrophobicContact CB-CE2 4.42Å; L382-Y396 HydrophobicContact CD2-CD2 3.81Å; L382-Y396 HydrophobicContact CD2-CE2 4.04Å; L382-Y396 HydrophobicContact CG-CD2 3.78Å; L382-Y396 HydrophobicContact CG-CE2 4.07Å; L382-K399 HydrophobicContact CD1-CB 4.44Å; L382-K399 HydrophobicContact CD2-CB 3.63Å; L382-V400 HydrophobicContact CD2-CG2 3.65Å |
| 383 | G | 92.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 76.4 Ų | 76.4 | 24% | 0.237 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I379 Y380 Y381 M386 G387 | I379-G383 PolarHBondContact O-N 3.16Å; Y380-G383 WeakPolarHBondContact O-CA 3.29Å; Y380-G383 PolarHBondContact O-N 3.08Å; Y381-G383 VanDerWaalsContact C-N 3.33Å; G383-M386 PolarHBondContact O-N 3.12Å; G383-G387 PolarHBondContact O-N 2.81Å; G383-G387 VanDerWaalsContact O-N 3.11Å |
| 384 | E | 92.8 | Very high | 93.3 | Very high | 74 Ų | 74 | 80.3 Ų | 80.3 | 35% | 0.346 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 177.9 | -162.7 | -171.7 | 154.3 | 0 | 0 | 112.4 | Y380 Y381 M386 G387 K388 | Y380-E384 PolarHBondContact O-N 2.78Å; Y381-E384 PolarHBondContact O-N 3.2Å; E384-M386 VanDerWaalsContact C-N 3.34Å; E384-M386 PolarHBondContact O-N 3.34Å; E384-G387 PolarHBondContact O-N 3.45Å; E384-G387 VanDerWaalsContact O-N 3.15Å; E384-K388 PolarHBondContact O-N 2.82Å; E384-K388 VanDerWaalsContact OE1-CE 3.27Å; E384-K388 WeakPolarHBondContact OE1-CE 3.22Å; E384-K388 IonicContact OE1-NZ 2.65Å; E384-K388 PolarHBondContact OE1-NZ 3.5Å |
| 385 | A | 92.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 81.3 Ų | 81.3 | 20% | 0.198 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67 | -33.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y381 L382 K388 N389 V390 F391 | Y381-A385 WeakPolarHBondContact O-CB 3.46Å; Y381-A385 PolarHBondContact O-N 2.95Å; L382-A385 PolarHBondContact O-N 2.8Å; A385-K388 PolarHBondContact O-N 3Å; A385-N389 PolarHBondContact O-N 3.04Å; A385-V390 HydrophobicContact CB-CB 4.33Å; A385-V390 HydrophobicContact CB-CG2 4.33Å; A385-V390 WeakPolarHBondContact O-CB 3.32Å; A385-V390 WeakPolarHBondContact O-CG2 3.33Å; A385-V390 PolarHBondContact O-N 3.4Å; A385-F391 HydrophobicContact CB-CD1 4.4Å; A385-F391 HydrophobicContact CB-CE1 3.4Å; A385-F391 HydrophobicContact CB-CZ 3.77Å |
| 386 | M | 90.8 | Very high | 93 | Very high | 57 Ų | 57 | 83 Ų | 83 | 28% | 0.281 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 169.3 | -174.2 | -172 | 63.1 | 0 | 0 | 110.9 | L382 G383 E384 K388 N389 F391 V393 Y396 | L382-M386 PolarHBondContact O-N 3.42Å; G383-M386 PolarHBondContact O-N 3.12Å; E384-M386 VanDerWaalsContact C-N 3.34Å; E384-M386 PolarHBondContact O-N 3.34Å; M386-K388 PolarHBondContact O-N 2.68Å; M386-N389 PolarHBondContact O-N 3.46Å; M386-F391 HydrophobicContact CB-CE2 3.77Å; M386-F391 HydrophobicContact CB-CZ 4.23Å; M386-F391 HydrophobicContact CG-CE2 4.43Å; M386-V393 HydrophobicContact SD-CG2 4.48Å; M386-Y396 HydrophobicContact CB-CD2 4.09Å; M386-Y396 HydrophobicContact CB-CG 4.39Å; M386-Y396 HydrophobicContact CE-CD1 4.29Å; M386-Y396 HydrophobicContact CE-CE1 4.15Å; M386-Y396 HydrophobicContact CG-CD2 4.49Å; M386-Y396 HydrophobicContact CG-CG 4.3Å; M386-Y396 HydrophobicContact SD-CD1 3.43Å; M386-Y396 WeakPolarHBondContact SD-CD1 3.34Å; M386-Y396 HydrophobicContact SD-CD2 3.97Å; M386-Y396 HydrophobicContact SD-CE1 3.91Å; M386-Y396 HydrophobicContact SD-CE2 4.41Å; M386-Y396 HydrophobicContact SD-CG 3.47Å |
| 387 | G | 89.5 | Confident | 92.9 | Very high | 60 Ų | 60 | 83.2 Ų | 83.2 | 62% | 0.619 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.2 | -26.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G383 E384 N389 | G383-G387 PolarHBondContact O-N 2.81Å; G383-G387 VanDerWaalsContact O-N 3.11Å; E384-G387 PolarHBondContact O-N 3.45Å; E384-G387 VanDerWaalsContact O-N 3.15Å; G387-N389 VanDerWaalsContact C-N 3.33Å |
| 388 | K | 93.7 | Very high | 92.8 | Very high | 135 Ų | 135 | 86 Ų | 86 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.6 | 173.6 | -66.6 | 176.7 | -173.2 | 168.8 | 0 | 113.8 | E384 A385 M386 V390 | E384-K388 PolarHBondContact O-N 2.82Å; E384-K388 VanDerWaalsContact OE1-CE 3.27Å; E384-K388 WeakPolarHBondContact OE1-CE 3.22Å; E384-K388 IonicContact OE1-NZ 2.65Å; E384-K388 PolarHBondContact OE1-NZ 3.5Å; A385-K388 PolarHBondContact O-N 3Å; M386-K388 PolarHBondContact O-N 2.68Å; K388-V390 VanDerWaalsContact C-N 3.31Å; K388-V390 HydrophobicContact CB-CG2 4.11Å; K388-V390 PolarHBondContact O-N 3.05Å |
| 389 | N | 88.7 | Confident | 92.8 | Very high | 145 Ų | 145 | 88.1 Ų | 88.1 | 78% | 0.775 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 35.4 | -178.2 | -56.9 | -72.1 | 0 | 0 | 0 | 114.1 | A385 M386 G387 | A385-N389 PolarHBondContact O-N 3.04Å; M386-N389 PolarHBondContact O-N 3.46Å; G387-N389 VanDerWaalsContact C-N 3.33Å |
| 390 | V | 91.4 | Very high | 92.8 | Very high | 105 Ų | 105 | 87.7 Ų | 87.7 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -74.4 | -30.5 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | A385 K388 | A385-V390 HydrophobicContact CB-CB 4.33Å; A385-V390 HydrophobicContact CB-CG2 4.33Å; A385-V390 WeakPolarHBondContact O-CB 3.32Å; A385-V390 WeakPolarHBondContact O-CG2 3.33Å; A385-V390 PolarHBondContact O-N 3.4Å; K388-V390 VanDerWaalsContact C-N 3.31Å; K388-V390 HydrophobicContact CB-CG2 4.11Å; K388-V390 PolarHBondContact O-N 3.05Å |
| 391 | F | 87.5 | Confident | 92.9 | Very high | 54 Ų | 54 | 89.7 Ų | 89.7 | 24% | 0.237 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -147.1 | 161.4 | 177.5 | 47.4 | -99.9 | 0 | 0 | 0 | 111.5 | L382 A385 M386 V395 Y396 | L382-F391 HydrophobicContact CD1-CE1 3.78Å; L382-F391 HydrophobicContact CD1-CE2 4.06Å; L382-F391 HydrophobicContact CD1-CZ 3.33Å; L382-F391 HydrophobicContact CG-CE2 4.21Å; L382-F391 HydrophobicContact CG-CZ 3.68Å; L382-F391 WeakPolarHBondContact O-CZ 3.4Å; A385-F391 HydrophobicContact CB-CD1 4.4Å; A385-F391 HydrophobicContact CB-CE1 3.4Å; A385-F391 HydrophobicContact CB-CZ 3.77Å; M386-F391 HydrophobicContact CB-CE2 3.77Å; M386-F391 HydrophobicContact CB-CZ 4.23Å; M386-F391 HydrophobicContact CG-CE2 4.43Å; F391-V395 HydrophobicContact CB-CB 4.33Å; F391-V395 HydrophobicContact CB-CG1 4.35Å; F391-Y396 AromaticContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CG 4.27Å; F391-Y396 HydrophobicContact CZ-CD2 4.47Å |
| 392 | D | 90.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 87.8 Ų | 87.8 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | trans | -71.5 | 154.3 | -179.5 | -162 | 2.8 | 0 | 0 | 0 | 112.4 | E394 V395 Y396 | D392-E394 PolarHBondContact O-N 2.95Å; D392-V395 HydrophobicContact CB-CG2 4.44Å; D392-V395 WeakPolarHBondContact O-CB 3.41Å; D392-V395 PolarHBondContact O-N 3.42Å; D392-Y396 PolarHBondContact O-N 2.94Å | ||
| 393 | V | 92.4 | Very high | 93.1 | Very high | 80 Ų | 80 | 88.2 Ų | 88.2 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.8 | -33.7 | -177.7 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | M386 V395 Y396 L397 | M386-V393 HydrophobicContact SD-CG2 4.48Å; V393-V395 VanDerWaalsContact C-N 3.33Å; V393-V395 PolarHBondContact O-N 2.89Å; V393-Y396 WeakPolarHBondContact O-CB 3.42Å; V393-Y396 PolarHBondContact O-N 3.24Å; V393-L397 HydrophobicContact CG1-CD1 4.09Å; V393-L397 HydrophobicContact CG1-CG 4.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.96Å |
| 394 | E | 93.6 | Very high | 93.2 | Very high | 155 Ų | 155 | 89.5 Ų | 89.5 | 72% | 0.724 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.5 | -38 | 176.9 | -168.2 | 172.7 | -175.9 | 0 | 0 | 112 | D392 K398 | D392-E394 PolarHBondContact O-N 2.95Å; E394-K398 WeakPolarHBondContact O-CB 3.32Å; E394-K398 PolarHBondContact O-N 3.31Å |
| 395 | V | 93.5 | Very high | 93.4 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 176.1 | -178 | 0 | 0 | 0 | 0 | 110.4 | F391 D392 V393 K398 K399 | F391-V395 HydrophobicContact CB-CB 4.33Å; F391-V395 HydrophobicContact CB-CG1 4.35Å; D392-V395 HydrophobicContact CB-CG2 4.44Å; D392-V395 WeakPolarHBondContact O-CB 3.41Å; D392-V395 PolarHBondContact O-N 3.42Å; V393-V395 VanDerWaalsContact C-N 3.33Å; V393-V395 PolarHBondContact O-N 2.89Å; V395-K398 PolarHBondContact O-N 3.08Å; V395-K399 PolarHBondContact O-N 2.74Å |
| 396 | Y | 93.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 101.1 Ų | 101.1 | 18% | 0.18 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -53.9 | -57 | 173.4 | 175.6 | -108.7 | 0 | 0 | 0 | 111.2 | L382 M386 F391 D392 V393 K398 K399 V400 | L382-Y396 HydrophobicContact CB-CE2 4.42Å; L382-Y396 HydrophobicContact CD2-CD2 3.81Å; L382-Y396 HydrophobicContact CD2-CE2 4.04Å; L382-Y396 HydrophobicContact CG-CD2 3.78Å; L382-Y396 HydrophobicContact CG-CE2 4.07Å; M386-Y396 HydrophobicContact CB-CD2 4.09Å; M386-Y396 HydrophobicContact CB-CG 4.39Å; M386-Y396 HydrophobicContact CE-CD1 4.29Å; M386-Y396 HydrophobicContact CE-CE1 4.15Å; M386-Y396 HydrophobicContact CG-CD2 4.49Å; M386-Y396 HydrophobicContact CG-CG 4.3Å; M386-Y396 HydrophobicContact SD-CD1 3.43Å; M386-Y396 WeakPolarHBondContact SD-CD1 3.34Å; M386-Y396 HydrophobicContact SD-CD2 3.97Å; M386-Y396 HydrophobicContact SD-CE1 3.91Å; M386-Y396 HydrophobicContact SD-CE2 4.41Å; M386-Y396 HydrophobicContact SD-CG 3.47Å; F391-Y396 AromaticContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CG 4.27Å; F391-Y396 HydrophobicContact CZ-CD2 4.47Å; D392-Y396 PolarHBondContact O-N 2.94Å; V393-Y396 WeakPolarHBondContact O-CB 3.42Å; V393-Y396 PolarHBondContact O-N 3.24Å; Y396-K398 VanDerWaalsContact C-N 3.29Å; Y396-K398 PolarHBondContact O-N 3.2Å; Y396-K399 PolarHBondContact O-N 2.93Å; Y396-K399 VanDerWaalsContact O-N 3.1Å; Y396-V400 HydrophobicContact CD1-CG2 4.29Å; Y396-V400 HydrophobicContact CD2-CG2 3.89Å; Y396-V400 HydrophobicContact CE1-CG2 3.9Å; Y396-V400 HydrophobicContact CE2-CG2 3.44Å; Y396-V400 VanDerWaalsContact CE2-CG2 3.44Å; Y396-V400 HydrophobicContact CG-CG2 4.29Å; Y396-V400 VanDerWaalsContact CZ-CG2 3.46Å; Y396-V400 WeakPolarHBondContact O-CG2 3.35Å; Y396-V400 PolarHBondContact O-N 3.46Å |
| 397 | L | 94.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 99.6 Ų | 99.6 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | -175.7 | -70 | 175.5 | 0 | 0 | 0 | 112.2 | V393 R401 | V393-L397 HydrophobicContact CG1-CD1 4.09Å; V393-L397 HydrophobicContact CG1-CG 4.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.96Å; L397-R401 VanDerWaalsContact O-CB 3.26Å; L397-R401 WeakPolarHBondContact O-CB 3.35Å; L397-R401 PolarHBondContact O-N 3.41Å |
| 398 | K | 95.9 | Very high | 94.2 | Very high | 155 Ų | 155 | 103.7 Ų | 103.7 | 67% | 0.674 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 175 | -171.3 | 176.5 | -178.5 | 178.2 | 0 | 111.3 | E394 V395 Y396 E402 | E394-K398 WeakPolarHBondContact O-CB 3.32Å; E394-K398 PolarHBondContact O-N 3.31Å; V395-K398 PolarHBondContact O-N 3.08Å; Y396-K398 VanDerWaalsContact C-N 3.29Å; Y396-K398 PolarHBondContact O-N 3.2Å; K398-E402 PolarHBondContact O-N 3.42Å; K398-E402 VanDerWaalsContact O-N 3.1Å |
| 399 | K | 95.1 | Very high | 94.4 | Very high | 87 Ų | 87 | 102.5 Ų | 102.5 | 38% | 0.378 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.6 | -42.2 | -178.9 | -74.6 | -71.7 | 162.4 | -160.3 | 0 | 113 | L382 V395 Y396 R401 E402 L403 | L382-K399 HydrophobicContact CD1-CB 4.44Å; L382-K399 HydrophobicContact CD2-CB 3.63Å; V395-K399 PolarHBondContact O-N 2.74Å; Y396-K399 PolarHBondContact O-N 2.93Å; Y396-K399 VanDerWaalsContact O-N 3.1Å; K399-R401 VanDerWaalsContact C-N 3.3Å; K399-R401 PolarHBondContact O-N 2.99Å; K399-E402 IonicContact NZ-OE2 2.78Å; K399-E402 PolarHBondContact NZ-OE2 3.05Å; K399-E402 PolarHBondContact O-N 2.93Å; K399-L403 WeakPolarHBondContact O-CB 3.37Å; K399-L403 WeakPolarHBondContact O-CG 3.3Å; K399-L403 PolarHBondContact O-N 3.42Å |
| 400 | V | 95.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 96.4 Ų | 96.4 | 16% | 0.164 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 173.1 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L382 Y396 L403 S404 | L382-V400 HydrophobicContact CD2-CG2 3.65Å; Y396-V400 HydrophobicContact CD1-CG2 4.29Å; Y396-V400 HydrophobicContact CD2-CG2 3.89Å; Y396-V400 HydrophobicContact CE1-CG2 3.9Å; Y396-V400 HydrophobicContact CE2-CG2 3.44Å; Y396-V400 VanDerWaalsContact CE2-CG2 3.44Å; Y396-V400 HydrophobicContact CG-CG2 4.29Å; Y396-V400 VanDerWaalsContact CZ-CG2 3.46Å; Y396-V400 WeakPolarHBondContact O-CG2 3.35Å; Y396-V400 PolarHBondContact O-N 3.46Å; V400-L403 PolarHBondContact O-N 3.29Å; V400-S404 WeakPolarHBondContact O-CB 3.43Å; V400-S404 PolarHBondContact O-N 3.39Å; V400-S404 PolarHBondContact O-OG 3.31Å |
| 401 | R | 96.2 | Very high | 95 | Very high | 195 Ų | 195 | 97 Ų | 97 | 74% | 0.736 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 177.8 | -175.9 | -179.3 | -69.2 | 167.6 | -0.7 | 112.3 | L397 K399 R405 | L397-R401 VanDerWaalsContact O-CB 3.26Å; L397-R401 WeakPolarHBondContact O-CB 3.35Å; L397-R401 PolarHBondContact O-N 3.41Å; K399-R401 VanDerWaalsContact C-N 3.3Å; K399-R401 PolarHBondContact O-N 2.99Å; R401-R405 WeakPolarHBondContact O-CB 3.18Å; R401-R405 PolarHBondContact O-N 3.15Å; R401-R405 VanDerWaalsContact O-N 3.12Å |
| 402 | E | 96.6 | Very high | 95.3 | Very high | 109 Ų | 109 | 96.5 Ų | 96.5 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 176.7 | -172.8 | -177.7 | 174.6 | 0 | 0 | 111.3 | K398 K399 R405 R406 | K398-E402 PolarHBondContact O-N 3.42Å; K398-E402 VanDerWaalsContact O-N 3.1Å; K399-E402 IonicContact NZ-OE2 2.78Å; K399-E402 PolarHBondContact NZ-OE2 3.05Å; K399-E402 PolarHBondContact O-N 2.93Å; E402-R405 PolarHBondContact O-N 3.45Å; E402-R406 PolarHBondContact O-N 2.79Å |
| 403 | L | 97 | Very high | 95.5 | Very high | 40 Ų | 40 | 93.4 Ų | 93.4 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 178.6 | -72.9 | 178.9 | 0 | 0 | 0 | 112.4 | I375 A378 I379 K399 V400 R405 R406 Q407 | I375-L403 HydrophobicContact CG1-CD2 4.36Å; I375-L403 HydrophobicContact CG2-CB 3.89Å; I375-L403 HydrophobicContact CG2-CD2 4.37Å; A378-L403 HydrophobicContact CB-CD1 4.13Å; I379-L403 HydrophobicContact CD1-CB 4.13Å; I379-L403 HydrophobicContact CG1-CB 4.02Å; I379-L403 HydrophobicContact CG1-CD1 3.92Å; K399-L403 WeakPolarHBondContact O-CB 3.37Å; K399-L403 WeakPolarHBondContact O-CG 3.3Å; K399-L403 PolarHBondContact O-N 3.42Å; V400-L403 PolarHBondContact O-N 3.29Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.89Å; L403-R406 WeakPolarHBondContact O-CB 3.49Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.08Å; L403-Q407 PolarHBondContact O-N 3.11Å |
| 404 | S | 96.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 89.9 Ų | 89.9 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 112 | V400 Q407 F408 | V400-S404 WeakPolarHBondContact O-CB 3.43Å; V400-S404 PolarHBondContact O-N 3.39Å; V400-S404 PolarHBondContact O-OG 3.31Å; S404-Q407 PolarHBondContact O-N 2.95Å; S404-F408 PolarHBondContact O-N 3.23Å |
| 405 | R | 97 | Very high | 95.6 | Very high | 197 Ų | 197 | 87.1 Ų | 87.1 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 174.7 | -176.1 | 179.2 | 176.5 | 179.4 | -0.5 | 111.5 | R401 E402 L403 F408 M409 | R401-R405 WeakPolarHBondContact O-CB 3.18Å; R401-R405 PolarHBondContact O-N 3.15Å; R401-R405 VanDerWaalsContact O-N 3.12Å; E402-R405 PolarHBondContact O-N 3.45Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.89Å; R405-F408 PolarHBondContact O-N 3.43Å; R405-M409 WeakPolarHBondContact O-CG 3.26Å; R405-M409 PolarHBondContact O-N 3.38Å |
| 406 | R | 96.8 | Very high | 95.6 | Very high | 145 Ų | 145 | 89.9 Ų | 89.9 | 55% | 0.547 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 176.7 | -169.8 | 173 | -177.6 | 146.5 | -1.8 | 111.2 | E371 I375 E402 L403 F408 M409 L410 | E371-R406 IonicContact OE1-CZ 3.88Å; E371-R406 IonicContact OE1-NE 3.69Å; E371-R406 PolarHBondContact OE1-NE 3.3Å; E371-R406 IonicContact OE1-NH2 2.88Å; E371-R406 PolarHBondContact OE1-NH2 2.94Å; I375-R406 HydrophobicContact CD1-CB 3.93Å; I375-R406 HydrophobicContact CD1-CG 3.75Å; E402-R406 PolarHBondContact O-N 2.79Å; L403-R406 WeakPolarHBondContact O-CB 3.49Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.08Å; R406-F408 VanDerWaalsContact C-N 3.33Å; R406-F408 PolarHBondContact O-N 3.48Å; R406-M409 PolarHBondContact O-N 3.05Å; R406-M409 VanDerWaalsContact O-N 3.16Å; R406-L410 HydrophobicContact CG-CD1 4.16Å; R406-L410 WeakPolarHBondContact O-CG 3.37Å; R406-L410 PolarHBondContact O-N 3.46Å |
| 407 | Q | 96.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 88 Ų | 88 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 174.4 | -164.7 | -176.7 | 33.3 | 0 | 0 | 111.8 | E372 I375 L403 S404 M409 L410 R411 | E372-Q407 HydrophobicContact CG-CG 3.88Å; I375-Q407 HydrophobicContact CD1-CB 4.39Å; I375-Q407 HydrophobicContact CG2-CB 3.94Å; I375-Q407 HydrophobicContact CG2-CG 4.33Å; L403-Q407 PolarHBondContact O-N 3.11Å; S404-Q407 PolarHBondContact O-N 2.95Å; Q407-M409 PolarHBondContact O-N 3.15Å; Q407-L410 PolarHBondContact O-N 2.93Å; Q407-R411 WeakPolarHBondContact O-CG 3.44Å; Q407-R411 PolarHBondContact O-N 2.9Å |
| 408 | F | 96.1 | Very high | 95.6 | Very high | 145 Ų | 145 | 85.6 Ų | 85.6 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.1 | -44.4 | 176.1 | 179 | -94.1 | 0 | 0 | 0 | 112.4 | S404 R405 R406 R411 A412 | S404-F408 PolarHBondContact O-N 3.23Å; R405-F408 PolarHBondContact O-N 3.43Å; R406-F408 VanDerWaalsContact C-N 3.33Å; R406-F408 PolarHBondContact O-N 3.48Å; F408-R411 PolarHBondContact O-N 3.35Å; F408-A412 WeakPolarHBondContact O-CB 3.35Å; F408-A412 PolarHBondContact O-N 3.25Å |
| 409 | M | 96.9 | Very high | 95.4 | Very high | 111 Ų | 111 | 83.6 Ų | 83.6 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 177.6 | -68.3 | -60.7 | -61.8 | 0 | 0 | 112.5 | R405 R406 Q407 T413 | R405-M409 WeakPolarHBondContact O-CG 3.26Å; R405-M409 PolarHBondContact O-N 3.38Å; R406-M409 PolarHBondContact O-N 3.05Å; R406-M409 VanDerWaalsContact O-N 3.16Å; Q407-M409 PolarHBondContact O-N 3.15Å; M409-T413 WeakPolarHBondContact O-CB 3.26Å; M409-T413 PolarHBondContact O-N 2.65Å; M409-T413 PolarHBondContact O-OG1 3.05Å |
| 410 | L | 96.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 86.9 Ų | 86.9 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 176.2 | -70.3 | 164.5 | 0 | 0 | 0 | 111.2 | E371 E372 I375 R406 Q407 A412 T413 V414 | E371-L410 HydrophobicContact CB-CD1 3.91Å; E371-L410 HydrophobicContact CB-CD2 4.23Å; E371-L410 HydrophobicContact CG-CD1 3.67Å; E371-L410 HydrophobicContact CG-CD2 4.38Å; E372-L410 HydrophobicContact CB-CB 4.23Å; I375-L410 HydrophobicContact CD1-CD1 3.48Å; I375-L410 VanDerWaalsContact CD1-CD1 3.48Å; R406-L410 HydrophobicContact CG-CD1 4.16Å; R406-L410 WeakPolarHBondContact O-CG 3.37Å; R406-L410 PolarHBondContact O-N 3.46Å; Q407-L410 PolarHBondContact O-N 2.93Å; L410-A412 VanDerWaalsContact C-N 3.33Å; L410-A412 PolarHBondContact O-N 3.1Å; L410-T413 CarbonylContact O-C 3.56Å; L410-T413 WeakPolarHBondContact O-CA 3.2Å; L410-T413 WeakPolarHBondContact O-CB 3.4Å; L410-T413 PolarHBondContact O-N 2.65Å; L410-V414 WeakPolarHBondContact O-CG2 3.3Å; L410-V414 PolarHBondContact O-N 3.31Å |
| 411 | R | 95.3 | Very high | 95 | Very high | 119 Ų | 119 | 86.8 Ų | 86.8 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.6 | -46.2 | 173.6 | -77.7 | -178.9 | 175.8 | 176.8 | 2.6 | 112.3 | E372 Q407 F408 T413 V414 Q415 | E372-R411 HydrophobicContact CG-CG 3.98Å; E372-R411 WeakPolarHBondContact OE1-CG 3.49Å; E372-R411 IonicContact OE1-CZ 3.39Å; E372-R411 IonicContact OE1-NE 3.88Å; E372-R411 PolarHBondContact OE1-NE 3.06Å; E372-R411 IonicContact OE1-NH2 3.47Å; E372-R411 PolarHBondContact OE1-NH2 2.92Å; Q407-R411 WeakPolarHBondContact O-CG 3.44Å; Q407-R411 PolarHBondContact O-N 2.9Å; F408-R411 PolarHBondContact O-N 3.35Å; R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 3.06Å; R411-V414 PolarHBondContact O-N 3.42Å; R411-Q415 WeakPolarHBondContact O-CB 3.37Å; R411-Q415 PolarHBondContact O-N 3.47Å |
| 412 | A | 95.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 80.8 Ų | 80.8 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F408 L410 K416 | F408-A412 WeakPolarHBondContact O-CB 3.35Å; F408-A412 PolarHBondContact O-N 3.25Å; L410-A412 VanDerWaalsContact C-N 3.33Å; L410-A412 PolarHBondContact O-N 3.1Å; A412-K416 WeakPolarHBondContact O-CB 3.43Å; A412-K416 PolarHBondContact O-N 3.19Å; A412-K416 VanDerWaalsContact O-N 3.12Å |
| 413 | T | 95.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 78.7 Ų | 78.7 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.4 | -46.3 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | Q364 M409 L410 R411 Q415 K416 C417 | Q364-T413 HydrophobicContact CG-CG2 4.47Å; M409-T413 WeakPolarHBondContact O-CB 3.26Å; M409-T413 PolarHBondContact O-N 2.65Å; M409-T413 PolarHBondContact O-OG1 3.05Å; L410-T413 CarbonylContact O-C 3.56Å; L410-T413 WeakPolarHBondContact O-CA 3.2Å; L410-T413 WeakPolarHBondContact O-CB 3.4Å; L410-T413 PolarHBondContact O-N 2.65Å; R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 3.06Å; T413-Q415 PolarHBondContact O-N 3.35Å; T413-K416 PolarHBondContact O-N 3.03Å; T413-C417 WeakPolarHBondContact O-CB 3.38Å; T413-C417 PolarHBondContact O-N 2.85Å; T413-C417 PolarHBondContact O-SG 3.1Å; T413-C417 VanDerWaalsContact O-SG 3.37Å |
| 414 | V | 94.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 81.4 Ų | 81.4 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 175.9 | 168.4 | 0 | 0 | 0 | 0 | 110.5 | L365 F369 L410 R411 K416 C417 R418 | L365-V414 HydrophobicContact CD1-CB 4.31Å; L365-V414 HydrophobicContact CD1-CG1 3.82Å; L365-V414 HydrophobicContact CD1-CG2 4.49Å; F369-V414 HydrophobicContact CB-CG2 4.09Å; F369-V414 HydrophobicContact CD2-CG1 4.41Å; L410-V414 WeakPolarHBondContact O-CG2 3.3Å; L410-V414 PolarHBondContact O-N 3.31Å; R411-V414 PolarHBondContact O-N 3.42Å; V414-K416 PolarHBondContact O-N 2.96Å; V414-C417 PolarHBondContact O-N 3.23Å; V414-R418 WeakPolarHBondContact O-CG 3.46Å; V414-R418 PolarHBondContact O-N 3.29Å |
| 415 | Q | 93.6 | Very high | 92.4 | Very high | 97 Ų | 97 | 84 Ų | 84 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 177.5 | -174.4 | 171.4 | 2.6 | 0 | 0 | 111.6 | R411 T413 C417 R418 E419 L425 | R411-Q415 WeakPolarHBondContact O-CB 3.37Å; R411-Q415 PolarHBondContact O-N 3.47Å; T413-Q415 PolarHBondContact O-N 3.35Å; Q415-C417 VanDerWaalsContact C-N 3.34Å; Q415-C417 PolarHBondContact O-N 3.01Å; Q415-R418 PolarHBondContact O-N 3.07Å; Q415-E419 WeakPolarHBondContact O-CG 3.46Å; Q415-E419 PolarHBondContact O-N 2.75Å; Q415-L425 HydrophobicContact CG-CD2 3.9Å |
| 416 | K | 93.7 | Very high | 91 | Very high | 134 Ų | 134 | 83 Ų | 83 | 58% | 0.583 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.3 | -34.4 | 179.3 | -159.6 | 170.1 | -168.7 | 170.6 | 0 | 113 | A412 T413 V414 K420 | A412-K416 WeakPolarHBondContact O-CB 3.43Å; A412-K416 PolarHBondContact O-N 3.19Å; A412-K416 VanDerWaalsContact O-N 3.12Å; T413-K416 PolarHBondContact O-N 3.03Å; V414-K416 PolarHBondContact O-N 2.96Å; K416-K420 WeakPolarHBondContact O-CG 3.15Å; K416-K420 PolarHBondContact O-N 3.25Å; K416-K420 VanDerWaalsContact O-N 3.16Å |
| 417 | C | 93.2 | Very high | 90.8 | Very high | 6 Ų | 6 | 79.9 Ų | 79.9 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 173.4 | -77.3 | 0 | 0 | 0 | 0 | 111.6 | L361 L365 T413 V414 Q415 K420 A421 | L361-C417 HydrophobicContact CD1-CB 4.26Å; L365-C417 HydrophobicContact CB-CB 4.05Å; L365-C417 HydrophobicContact CD1-CB 3.77Å; L365-C417 HydrophobicContact CG-CB 4.46Å; T413-C417 WeakPolarHBondContact O-CB 3.38Å; T413-C417 PolarHBondContact O-N 2.85Å; T413-C417 PolarHBondContact O-SG 3.1Å; T413-C417 VanDerWaalsContact O-SG 3.37Å; V414-C417 PolarHBondContact O-N 3.23Å; Q415-C417 VanDerWaalsContact C-N 3.34Å; Q415-C417 PolarHBondContact O-N 3.01Å; C417-K420 PolarHBondContact O-N 3.04Å; C417-A421 VanDerWaalsContact O-CB 3.28Å; C417-A421 WeakPolarHBondContact O-CB 3.4Å; C417-A421 PolarHBondContact O-N 3.32Å |
| 418 | R | 93.6 | Very high | 90.5 | Very high | 47 Ų | 47 | 82.7 Ų | 82.7 | 18% | 0.177 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177 | -69.5 | 178.9 | 79.7 | 98 | -1.8 | 112.1 | L365 V414 Q415 K420 A421 G422 L423 P424 | L365-R418 HydrophobicContact CD1-CG 3.78Å; L365-R418 HydrophobicContact CD2-CG 4.32Å; V414-R418 WeakPolarHBondContact O-CG 3.46Å; V414-R418 PolarHBondContact O-N 3.29Å; Q415-R418 PolarHBondContact O-N 3.07Å; R418-K420 VanDerWaalsContact C-N 3.34Å; R418-K420 PolarHBondContact O-N 3.35Å; R418-A421 CarbonylContact O-C 3.48Å; R418-A421 PolarHBondContact O-N 3.24Å; R418-A421 VanDerWaalsContact O-N 3.16Å; R418-G422 PolarHBondContact O-N 3.4Å; R418-L423 HydrophobicContact CB-CB 4.11Å; R418-L423 HydrophobicContact CG-CB 4.33Å; R418-L423 HydrophobicContact CG-CD1 4.46Å; R418-L423 PolarHBondContact O-N 3.37Å; R418-P424 PolarHBondContact NE-O 3.09Å; R418-P424 PolarHBondContact NH2-O 3.1Å |
| 419 | E | 92.4 | Very high | 90.1 | Very high | 112 Ų | 112 | 79.3 Ų | 79.3 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 174.6 | -73.5 | 171.8 | -170.7 | 0 | 0 | 111.5 | Q415 A421 G422 L425 | Q415-E419 WeakPolarHBondContact O-CG 3.46Å; Q415-E419 PolarHBondContact O-N 2.75Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 3.01Å; E419-G422 PolarHBondContact O-N 2.78Å; E419-L425 HydrophobicContact CG-CD2 4.04Å |
| 420 | K | 92.1 | Very high | 89.7 | Confident | 157 Ų | 157 | 77.4 Ų | 77.4 | 68% | 0.683 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.8 | -29 | 177.5 | -75.2 | -168.7 | 175.1 | -169.8 | 0 | 113.9 | L361 K416 C417 R418 G422 | L361-K420 HydrophobicContact CD1-CB 4.36Å; L361-K420 HydrophobicContact CD2-CB 3.97Å; K416-K420 WeakPolarHBondContact O-CG 3.15Å; K416-K420 PolarHBondContact O-N 3.25Å; K416-K420 VanDerWaalsContact O-N 3.16Å; C417-K420 PolarHBondContact O-N 3.04Å; R418-K420 VanDerWaalsContact C-N 3.34Å; R418-K420 PolarHBondContact O-N 3.35Å; K420-G422 VanDerWaalsContact C-N 3.32Å |
| 421 | A | 89.5 | Confident | 89.3 | Confident | 24 Ų | 24 | 81.3 Ų | 81.3 | 20% | 0.198 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -83.2 | -7.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L361 Y362 C417 R418 E419 L423 | L361-A421 HydrophobicContact CD2-CB 4.01Å; Y362-A421 HydrophobicContact CE1-CB 3.86Å; C417-A421 VanDerWaalsContact O-CB 3.28Å; C417-A421 WeakPolarHBondContact O-CB 3.4Å; C417-A421 PolarHBondContact O-N 3.32Å; R418-A421 CarbonylContact O-C 3.48Å; R418-A421 PolarHBondContact O-N 3.24Å; R418-A421 VanDerWaalsContact O-N 3.16Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 3.01Å; A421-L423 VanDerWaalsContact C-N 3.28Å; A421-L423 HydrophobicContact CB-CD1 3.86Å; A421-L423 HydrophobicContact CB-CG 3.96Å; A421-L423 PolarHBondContact O-N 2.86Å |
| 422 | G | 89.1 | Confident | 88.9 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 71% | 0.711 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 24 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R418 E419 K420 | R418-G422 PolarHBondContact O-N 3.4Å; E419-G422 PolarHBondContact O-N 2.78Å; K420-G422 VanDerWaalsContact C-N 3.32Å |
| 423 | L | 86.1 | Confident | 88.5 | Confident | 66 Ų | 66 | 81.3 Ų | 81.3 | 35% | 0.346 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 146.1 | 177.7 | -66.9 | 168.2 | 0 | 0 | 0 | 110.3 | L365 R418 A421 | L365-L423 HydrophobicContact CD2-CD1 3.79Å; R418-L423 HydrophobicContact CB-CB 4.11Å; R418-L423 HydrophobicContact CG-CB 4.33Å; R418-L423 HydrophobicContact CG-CD1 4.46Å; R418-L423 PolarHBondContact O-N 3.37Å; A421-L423 VanDerWaalsContact C-N 3.28Å; A421-L423 HydrophobicContact CB-CD1 3.86Å; A421-L423 HydrophobicContact CB-CG 3.96Å; A421-L423 PolarHBondContact O-N 2.86Å |
| 424 | P | 83.2 | Confident | 87.9 | Confident | 96 Ų | 96 | 84.2 Ų | 84.2 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 144.1 | 177.1 | 24.2 | -32.4 | 0 | 0 | 0 | 111 | R418 | R418-P424 PolarHBondContact NE-O 3.09Å; R418-P424 PolarHBondContact NH2-O 3.1Å |
| 425 | L | 74.4 | Confident | 87.4 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 142.7 | 172.7 | -63.6 | 174.7 | 0 | 0 | 0 | 109.7 | Q415 E419 | Q415-L425 HydrophobicContact CG-CD2 3.9Å; E419-L425 HydrophobicContact CG-CD2 4.04Å |
| 426 | L | 67.6 | Low | 86.8 | Confident | 177 Ų | 177 | 90.1 Ų | 90.1 | 93% | 0.927 | 49% | 0.486 | S | S | * | . | trans | -76.2 | 0 | 177.8 | -77.4 | 170.4 | 0 | 0 | 0 | 111.9 | F369 | F369-L426 HydrophobicContact CE2-CD1 4.41Š|
Retrieved 426 of 426 residues in 354.2 ms
(Link to these results)