| 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 | 70.8 | Confident | 90.4 | Very high | 33 Ų | 33 | 82.6 Ų | 82.6 | 16% | 0.163 | 41% | 0.407 | C | S | . | . | 0 | -43.4 | 0 | -67.4 | -179.6 | -76 | 0 | 0 | 114.9 | T3 R4 S265 N267 D277 V280 V315 W319 | M1-T3 PolarHBondContact O-N 3.14Å; M1-R4 PolarHBondContact O-N 2.89Å; M1-S265 VanDerWaalsContact CE-CB 3.42Å; M1-S265 WeakPolarHBondContact CE-OG 3.19Å; M1-N267 HydrophobicContact SD-CB 4.03Å; M1-D277 VanDerWaalsContact CE-OD2 3.29Å; M1-D277 WeakPolarHBondContact CE-OD2 3.35Å; M1-D277 VanDerWaalsContact CG-O 3.25Å; M1-D277 WeakPolarHBondContact CG-O 3.28Å; M1-D277 WeakPolarHBondContact CG-OD1 3.46Å; M1-D277 PolarHBondContact N-O 3.46Å; M1-V280 HydrophobicContact CG-CG2 4.18Å; M1-V280 HydrophobicContact SD-CG2 3.7Å; M1-V315 HydrophobicContact SD-CG1 4.31Å; M1-W319 HydrophobicContact CB-CB 4.35Å; M1-W319 HydrophobicContact CB-CD2 4.06Å; M1-W319 HydrophobicContact CB-CG 3.85Å; M1-W319 HydrophobicContact CE-CD2 3.85Å; M1-W319 HydrophobicContact CE-CE3 3.57Å; M1-W319 HydrophobicContact CE-CH2 3.56Å; M1-W319 HydrophobicContact CE-CZ2 3.83Å; M1-W319 HydrophobicContact CE-CZ3 3.43Å; M1-W319 VanDerWaalsContact CE-CZ3 3.43Å; M1-W319 HydrophobicContact SD-CB 4.5Å; M1-W319 HydrophobicContact SD-CD2 3.84Å; M1-W319 HydrophobicContact SD-CE3 3.64Å; M1-W319 HydrophobicContact SD-CG 4.25Å; M1-W319 HydrophobicContact SD-CZ3 4.1Å | |||
| 2 | D | 74.3 | Confident | 91 | Very high | 114 Ų | 114 | 80.3 Ų | 80.3 | 61% | 0.61 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -24.7 | -171.6 | -67.6 | -29.2 | 0 | 0 | 0 | 116.5 | W319 | D2-W319 PolarHBondContact OD1-NE1 3.1Š|
| 3 | T | 87.5 | Confident | 91.4 | Very high | 100 Ų | 100 | 77.3 Ų | 77.3 | 61% | 0.613 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -23.6 | 179.2 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | M1 K323 | M1-T3 PolarHBondContact O-N 3.14Å; T3-K323 WeakPolarHBondContact O-CD 3.33Å; T3-K323 PolarHBondContact O-NZ 3.05Å |
| 4 | R | 92.4 | Very high | 91.5 | Very high | 112 Ų | 112 | 79.2 Ų | 79.2 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -24.1 | -175.2 | -66.6 | -77.3 | -173 | 163.1 | 1.3 | 113.1 | M1 K323 | M1-R4 PolarHBondContact O-N 2.89Å; R4-K323 WeakPolarHBondContact O-CB 3.23Å; R4-K323 PolarHBondContact O-N 2.99Å |
| 5 | A | 93.6 | Very high | 91.5 | Very high | 8 Ų | 8 | 77.1 Ų | 77.1 | 7% | 0.066 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 155.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | W319 L321 K323 | A5-W319 HydrophobicContact CB-CB 4.16Å; A5-W319 VanDerWaalsContact CB-O 3.28Å; A5-W319 WeakPolarHBondContact CB-O 3.49Å; A5-L321 CarbonylContact C-O 3.52Å; A5-L321 WeakPolarHBondContact CA-O 3.41Å; A5-K323 VanDerWaalsContact O-CE 3.29Å; A5-K323 WeakPolarHBondContact O-CE 3.27Å |
| 6 | L | 93.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 77.1 Ų | 77.1 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 143.7 | 161.7 | -67.5 | 164.4 | 0 | 0 | 0 | 107.5 | N8 L321 K323 W361 R368 | L6-N8 PolarHBondContact O-N 3.45Å; L6-L321 PolarHBondContact N-O 3.38Å; L6-K323 HydrophobicContact CD1-CG 4.44Å; L6-K323 HydrophobicContact CD2-CG 3.84Å; L6-K323 HydrophobicContact CG-CG 3.72Å; L6-W361 HydrophobicContact CB-CH2 4.12Å; L6-W361 HydrophobicContact CB-CZ2 4.38Å; L6-W361 HydrophobicContact CD1-CH2 3.73Å; L6-W361 HydrophobicContact CD1-CZ2 3.47Å; L6-W361 VanDerWaalsContact CD1-CZ2 3.47Å; L6-R368 HydrophobicContact CD1-CB 4.28Å |
| 7 | K | 94.3 | Very high | 91.2 | Very high | 197 Ų | 197 | 77.9 Ų | 77.9 | 86% | 0.857 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -59 | 127.5 | 176.4 | -177.3 | 179.9 | 178.6 | -177.4 | 0 | 108.7 | P9 | K7-P9 VanDerWaalsContact O-CD 3.25Å; K7-P9 WeakPolarHBondContact O-CD 3.45Å |
| 8 | N | 97 | Very high | 91.1 | Very high | 25 Ų | 25 | 76.2 Ų | 76.2 | 13% | 0.134 | 41% | 0.409 | C | S | . | . | trans | -62.8 | 115.8 | 176 | -172.2 | -12.9 | 0 | 0 | 0 | 109.9 | L6 Y10 W317 L321 | L6-N8 PolarHBondContact O-N 3.45Å; N8-Y10 VanDerWaalsContact C-N 3.34Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.46Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.47Å; N8-Y10 PolarHBondContact OD1-N 2.93Å; N8-W317 VanDerWaalsContact ND2-CD2 3.34Å; N8-W317 VanDerWaalsContact ND2-CE2 3.33Å; N8-W317 WeakPolarHBondContact ND2-CZ2 3.47Å; N8-W317 WeakPolarHBondContact ND2-CZ3 3.49Å; N8-W317 PolarHBondContact ND2-O 3.39Å; N8-L321 HydrophobicContact CB-CD1 4.2Å | ||
| 9 | P | 96.7 | Very high | 91 | Very high | 73 Ų | 73 | 74.2 Ų | 74.2 | 47% | 0.474 | 40% | 0.402 | S | S | . | . | trans | -84.6 | -11.9 | -178.4 | 36.4 | -36.5 | 0 | 0 | 0 | 112.7 | K7 W361 | K7-P9 VanDerWaalsContact O-CD 3.25Å; K7-P9 WeakPolarHBondContact O-CD 3.45Å; P9-W361 HydrophobicContact CG-CE3 4.38Å; P9-W361 HydrophobicContact CG-CZ3 4.06Å | ||
| 10 | Y | 97.3 | Very high | 91.1 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -83.6 | 137.8 | -175.8 | -54 | -72.2 | 0 | 0 | 0 | 110 | N8 L321 M357 D360 W361 | N8-Y10 VanDerWaalsContact C-N 3.34Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.46Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.47Å; N8-Y10 PolarHBondContact OD1-N 2.93Å; Y10-L321 HydrophobicContact CD2-CD1 4.36Å; Y10-L321 HydrophobicContact CE2-CD1 4.23Å; Y10-M357 HydrophobicContact CD1-CB 4.32Å; Y10-M357 HydrophobicContact CD1-CG 4.35Å; Y10-M357 HydrophobicContact CD1-SD 3.64Å; Y10-M357 HydrophobicContact CD2-CB 3.94Å; Y10-M357 HydrophobicContact CE1-SD 4.23Å; Y10-M357 HydrophobicContact CE2-CB 4.4Å; Y10-M357 WeakPolarHBondContact CE2-O 3.26Å; Y10-M357 HydrophobicContact CG-CB 3.91Å; Y10-M357 HydrophobicContact CG-CG 4.12Å; Y10-M357 HydrophobicContact CG-SD 4Å; Y10-D360 WeakPolarHBondContact CE1-OD2 3.37Å; Y10-D360 PolarHBondContact OH-OD2 2.93Å; Y10-W361 HydrophobicContact CE2-CB 4.09Å; Y10-W361 AromaticContact CE2-CE3 3.97Å; Y10-W361 HydrophobicContact CE2-CE3 3.97Å; Y10-W361 WeakPolarHBondContact OH-CA 3.27Å; Y10-W361 PolarHBondContact OH-N 3.17Å |
| 11 | H | 96.6 | Very high | 91.2 | Very high | 163 Ų | 163 | 74 Ų | 74 | 76% | 0.755 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 148.6 | 165.2 | -69.2 | -77.3 | 0 | 0 | 0 | 109.2 | Y353 | H11-Y353 WeakPolarHBondContact O-CE1 3.41Å; H11-Y353 PolarHBondContact O-OH 3.15Å; H11-Y353 VanDerWaalsContact O-OH 3.08Å |
| 12 | D | 97.5 | Very high | 92.3 | Very high | 55 Ų | 55 | 76.2 Ų | 76.2 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 163.1 | 175.5 | -159.5 | 12.6 | 0 | 0 | 0 | 110.7 | D14 W317 R354 | D12-D14 PolarHBondContact O-N 2.8Å; D12-W317 HydrophobicContact CB-CZ2 4.06Å; D12-R354 IonicContact OD1-CZ 3.06Å; D12-R354 IonicContact OD1-NE 3.43Å; D12-R354 PolarHBondContact OD1-NE 2.89Å; D12-R354 IonicContact OD1-NH2 3.58Å; D12-R354 PolarHBondContact OD1-NH2 3.34Å; D12-R354 IonicContact OD2-CZ 3.39Å; D12-R354 IonicContact OD2-NE 2.78Å; D12-R354 IonicContact OD2-NH2 2.83Å; D12-R354 PolarHBondContact OD2-NH2 2.93Å |
| 13 | Y | 96 | Very high | 93.4 | Very high | 41 Ų | 41 | 71.2 Ų | 71.2 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 124.6 | 174.7 | 179.9 | -118.7 | 0 | 0 | 0 | 110.3 | G15 T20 P349 K350 Y353 | Y13-G15 VanDerWaalsContact CZ-CA 3.49Å; Y13-G15 PolarHBondContact OH-O 3.3Å; Y13-T20 HydrophobicContact CD2-CG2 3.93Å; Y13-T20 HydrophobicContact CE2-CG2 3.61Å; Y13-P349 HydrophobicContact CE1-CG 3.99Å; Y13-K350 HydrophobicContact CD1-CB 3.65Å; Y13-K350 HydrophobicContact CD1-CG 4.23Å; Y13-K350 HydrophobicContact CE1-CB 4.4Å; Y13-K350 HydrophobicContact CG-CB 4.35Å; Y13-Y353 HydrophobicContact CD2-CD2 4.5Å; Y13-Y353 HydrophobicContact CD2-CG 4.37Å |
| 14 | D | 93.1 | Very high | 93.9 | Very high | 104 Ų | 104 | 66.7 Ų | 66.7 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | trans | -96 | 5 | -174.3 | 63.9 | -14 | 0 | 0 | 0 | 113.2 | D12 N16 S19 | D12-D14 PolarHBondContact O-N 2.8Å; D14-N16 PolarHBondContact O-N 2.83Å; D14-N16 VanDerWaalsContact OD1-CB 3.27Å; D14-N16 WeakPolarHBondContact OD1-CB 3.49Å; D14-N16 PolarHBondContact OD1-N 2.66Å; D14-S19 VanDerWaalsContact CG-OG 3.28Å; D14-S19 WeakPolarHBondContact OD1-CB 3.44Å; D14-S19 PolarHBondContact OD1-OG 3.14Å; D14-S19 PolarHBondContact OD2-OG 3.09Å | ||
| 15 | G | 92.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 80.1 | -4.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y13 P17 | Y13-G15 VanDerWaalsContact CZ-CA 3.49Å; Y13-G15 PolarHBondContact OH-O 3.3Å; G15-P17 WeakPolarHBondContact O-CD 3.27Å |
| 16 | N | 90.9 | Very high | 94 | Very high | 78 Ų | 78 | 70.3 Ų | 70.3 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | trans | -86.1 | 122.5 | 179.8 | -169.3 | -19.9 | 0 | 0 | 0 | 110.4 | D14 A18 S19 | D14-N16 PolarHBondContact O-N 2.83Å; D14-N16 VanDerWaalsContact OD1-CB 3.27Å; D14-N16 WeakPolarHBondContact OD1-CB 3.49Å; D14-N16 PolarHBondContact OD1-N 2.66Å; N16-A18 PolarHBondContact O-N 3.16Å; N16-A18 VanDerWaalsContact O-N 3.11Å; N16-A18 VanDerWaalsContact OD1-CB 3.3Å; N16-A18 WeakPolarHBondContact OD1-CB 3.46Å; N16-A18 PolarHBondContact OD1-N 2.94Å; N16-S19 VanDerWaalsContact O-CB 3.27Å; N16-S19 WeakPolarHBondContact O-CB 3.28Å; N16-S19 PolarHBondContact O-N 3.5Å; N16-S19 PolarHBondContact O-OG 3.06Å | ||
| 17 | P | 86.4 | Confident | 93.9 | Very high | 91 Ų | 91 | 76 Ų | 76 | 59% | 0.591 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -56.6 | -25.6 | 174.7 | -26.2 | 35.7 | 0 | 0 | 0 | 114.1 | G15 S19 T20 Q21 | G15-P17 WeakPolarHBondContact O-CD 3.27Å; P17-S19 PolarHBondContact O-N 3.02Å; P17-T20 PolarHBondContact O-N 3.31Å; P17-T20 VanDerWaalsContact O-N 3.12Å; P17-T20 PolarHBondContact O-OG1 3.44Å; P17-T20 VanDerWaalsContact O-OG1 3.11Å; P17-Q21 PolarHBondContact O-N 3.28Å; P17-Q21 VanDerWaalsContact O-N 3.14Å |
| 18 | A | 89.3 | Confident | 94 | Very high | 46 Ų | 46 | 67 Ų | 67 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -61.1 | -27.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N16 T20 Q21 | N16-A18 PolarHBondContact O-N 3.16Å; N16-A18 VanDerWaalsContact O-N 3.11Å; N16-A18 VanDerWaalsContact OD1-CB 3.3Å; N16-A18 WeakPolarHBondContact OD1-CB 3.46Å; N16-A18 PolarHBondContact OD1-N 2.94Å; A18-T20 VanDerWaalsContact C-N 3.27Å; A18-T20 PolarHBondContact O-N 3.37Å; A18-Q21 VanDerWaalsContact O-CG 3.27Å; A18-Q21 WeakPolarHBondContact O-CG 3.33Å; A18-Q21 PolarHBondContact O-NE2 2.99Å |
| 19 | S | 88.3 | Confident | 93.9 | Very high | 39 Ų | 39 | 72.6 Ų | 72.6 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -72.7 | -19.3 | 178.3 | -58 | 0 | 0 | 0 | 0 | 112.8 | D14 N16 P17 | D14-S19 VanDerWaalsContact CG-OG 3.28Å; D14-S19 WeakPolarHBondContact OD1-CB 3.44Å; D14-S19 PolarHBondContact OD1-OG 3.14Å; D14-S19 PolarHBondContact OD2-OG 3.09Å; N16-S19 VanDerWaalsContact O-CB 3.27Å; N16-S19 WeakPolarHBondContact O-CB 3.28Å; N16-S19 PolarHBondContact O-N 3.5Å; N16-S19 PolarHBondContact O-OG 3.06Å; P17-S19 PolarHBondContact O-N 3.02Å |
| 20 | T | 93.9 | Very high | 94 | Very high | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -11.7 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | Y13 P17 A18 T22 L23 F24 Y353 | Y13-T20 HydrophobicContact CD2-CG2 3.93Å; Y13-T20 HydrophobicContact CE2-CG2 3.61Å; P17-T20 PolarHBondContact O-N 3.31Å; P17-T20 VanDerWaalsContact O-N 3.12Å; P17-T20 PolarHBondContact O-OG1 3.44Å; P17-T20 VanDerWaalsContact O-OG1 3.11Å; A18-T20 VanDerWaalsContact C-N 3.27Å; A18-T20 PolarHBondContact O-N 3.37Å; T20-T22 PolarHBondContact O-N 3.47Å; T20-L23 WeakPolarHBondContact O-CA 3.38Å; T20-L23 WeakPolarHBondContact O-CB 3.32Å; T20-L23 PolarHBondContact O-N 2.81Å; T20-F24 HydrophobicContact CG2-CE1 4.12Å; T20-F24 HydrophobicContact CG2-CE2 3.63Å; T20-F24 HydrophobicContact CG2-CZ 3.36Å; T20-F24 PolarHBondContact O-N 3.4Å; T20-Y353 HydrophobicContact CG2-CD2 4.01Å |
| 21 | Q | 92.9 | Very high | 94.1 | Very high | 134 Ų | 134 | 69.1 Ų | 69.1 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.5 | -172.2 | 74.6 | -169.7 | -13.3 | 0 | 0 | 115 | P17 A18 T31 | P17-Q21 PolarHBondContact O-N 3.28Å; P17-Q21 VanDerWaalsContact O-N 3.14Å; A18-Q21 VanDerWaalsContact O-CG 3.27Å; A18-Q21 WeakPolarHBondContact O-CG 3.33Å; A18-Q21 PolarHBondContact O-NE2 2.99Å; Q21-T31 WeakPolarHBondContact O-CG2 3.47Å |
| 22 | T | 95.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 66.9 Ų | 66.9 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5.6 | 177.1 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | T20 T31 | T20-T22 PolarHBondContact O-N 3.47Å; T22-T31 PolarHBondContact O-OG1 2.96Å; T22-T31 VanDerWaalsContact O-OG1 3.06Å |
| 23 | L | 97.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -54.1 | -173 | -56.8 | 174.3 | 0 | 0 | 0 | 110.7 | T20 L30 T31 F34 Y353 C356 M357 | T20-L23 WeakPolarHBondContact O-CA 3.38Å; T20-L23 WeakPolarHBondContact O-CB 3.32Å; T20-L23 PolarHBondContact O-N 2.81Å; L23-L30 CarbonylContact O-C 3.33Å; L23-L30 VanDerWaalsContact O-CA 3.31Å; L23-L30 WeakPolarHBondContact O-CA 3.45Å; L23-T31 PolarHBondContact O-N 3.13Å; L23-F34 HydrophobicContact CD2-CD1 4.38Å; L23-F34 HydrophobicContact CD2-CD2 4.15Å; L23-F34 HydrophobicContact CD2-CE1 4.39Å; L23-F34 HydrophobicContact CD2-CE2 4.1Å; L23-F34 HydrophobicContact CD2-CG 4.27Å; L23-F34 HydrophobicContact CD2-CZ 4.23Å; L23-Y353 HydrophobicContact CD1-CD2 3.65Å; L23-Y353 HydrophobicContact CD1-CE2 3.85Å; L23-C356 HydrophobicContact CD1-CB 4.09Å; L23-C356 HydrophobicContact CD2-CB 4.35Å; L23-M357 HydrophobicContact CD1-CE 3.49Å; L23-M357 VanDerWaalsContact CD1-CE 3.49Å; L23-M357 HydrophobicContact CD2-CE 4.02Å; L23-M357 HydrophobicContact CG-CE 4.4Å |
| 24 | F | 97.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 2% | 0.022 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -156.1 | 159.6 | -179 | 50.8 | -94.6 | 0 | 0 | 0 | 112.3 | T20 K29 L30 P349 L352 | T20-F24 HydrophobicContact CG2-CE1 4.12Å; T20-F24 HydrophobicContact CG2-CE2 3.63Å; T20-F24 HydrophobicContact CG2-CZ 3.36Å; T20-F24 PolarHBondContact O-N 3.4Å; F24-K29 CarbonylContact C-O 3.58Å; F24-K29 WeakPolarHBondContact CA-O 3.43Å; F24-K29 VanDerWaalsContact CB-O 3.24Å; F24-K29 WeakPolarHBondContact CB-O 3.41Å; F24-L30 HydrophobicContact CB-CD2 4.01Å; F24-L30 HydrophobicContact CD1-CD2 4.38Å; F24-P349 HydrophobicContact CE2-CB 4.04Å; F24-P349 HydrophobicContact CZ-CB 4.45Å; F24-L352 HydrophobicContact CB-CD2 4.19Å; F24-L352 HydrophobicContact CD1-CD2 3.69Å; F24-L352 HydrophobicContact CD1-CG 3.7Å; F24-L352 HydrophobicContact CD2-CD2 3.82Å; F24-L352 HydrophobicContact CE1-CB 4.03Å; F24-L352 HydrophobicContact CE1-CD2 3.95Å; F24-L352 HydrophobicContact CE1-CG 3.59Å; F24-L352 HydrophobicContact CE2-CB 4.47Å; F24-L352 HydrophobicContact CE2-CD2 4.05Å; F24-L352 HydrophobicContact CE2-CG 4.39Å; F24-L352 HydrophobicContact CG-CD2 3.63Å; F24-L352 HydrophobicContact CG-CG 4.18Å; F24-L352 HydrophobicContact CZ-CB 3.95Å; F24-L352 HydrophobicContact CZ-CD2 4.11Å; F24-L352 HydrophobicContact CZ-CG 3.94Å |
| 25 | D | 95.3 | Very high | 94.6 | Very high | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | trans | -83.6 | -177.7 | 176 | 64.4 | 24.5 | 0 | 0 | 0 | 113 | E27 G28 K29 | D25-E27 PolarHBondContact O-N 3.35Å; D25-E27 WeakPolarHBondContact OD1-CA 3.38Å; D25-E27 PolarHBondContact OD1-N 3.26Å; D25-G28 PolarHBondContact O-N 2.9Å; D25-G28 PolarHBondContact OD1-N 3.01Å; D25-K29 PolarHBondContact N-O 2.65Å; D25-K29 WeakPolarHBondContact OD1-CB 3.42Å; D25-K29 PolarHBondContact OD1-N 3.42Å; D25-K29 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 26 | S | 92.1 | Very high | 94.8 | Very high | 130 Ų | 130 | 65.2 Ų | 65.2 | 91% | 0.909 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.1 | -179.5 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | G28 | S26-G28 VanDerWaalsContact C-N 3.31Š|
| 27 | E | 92.4 | Very high | 95.2 | Very high | 162 Ų | 162 | 66.8 Ų | 66.8 | 76% | 0.757 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 1.3 | 174.4 | -58.8 | -173.7 | 164.5 | 0 | 0 | 111.7 | D25 K29 | D25-E27 PolarHBondContact O-N 3.35Å; D25-E27 WeakPolarHBondContact OD1-CA 3.38Å; D25-E27 PolarHBondContact OD1-N 3.26Å; E27-K29 VanDerWaalsContact C-N 3.26Å; E27-K29 PolarHBondContact O-N 3.07Å |
| 28 | G | 95 | Very high | 95.8 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | trans | 72.1 | 18.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D25 S26 Y343 L352 | D25-G28 PolarHBondContact O-N 2.9Å; D25-G28 PolarHBondContact OD1-N 3.01Å; S26-G28 VanDerWaalsContact C-N 3.31Å; G28-Y343 WeakPolarHBondContact CA-OH 3.37Å; G28-L352 WeakPolarHBondContact O-CD2 3.37Å | ||
| 29 | K | 96.7 | Very high | 96.2 | Very high | 144 Ų | 144 | 61.4 Ų | 61.4 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 127.7 | 170.9 | 179.5 | -175.1 | -179.7 | -178.1 | 0 | 108.7 | F24 D25 E27 | F24-K29 CarbonylContact C-O 3.58Å; F24-K29 WeakPolarHBondContact CA-O 3.43Å; F24-K29 VanDerWaalsContact CB-O 3.24Å; F24-K29 WeakPolarHBondContact CB-O 3.41Å; D25-K29 PolarHBondContact N-O 2.65Å; D25-K29 WeakPolarHBondContact OD1-CB 3.42Å; D25-K29 PolarHBondContact OD1-N 3.42Å; D25-K29 WeakPolarHBondContact OD2-CB 3.48Å; E27-K29 VanDerWaalsContact C-N 3.26Å; E27-K29 PolarHBondContact O-N 3.07Å |
| 30 | L | 98.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 9% | 0.089 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 141.5 | -179.8 | -58.4 | -165.9 | 0 | 0 | 0 | 111.2 | L23 F24 F34 A35 L38 I393 L394 P396 | L23-L30 CarbonylContact O-C 3.33Å; L23-L30 VanDerWaalsContact O-CA 3.31Å; L23-L30 WeakPolarHBondContact O-CA 3.45Å; F24-L30 HydrophobicContact CB-CD2 4.01Å; F24-L30 HydrophobicContact CD1-CD2 4.38Å; L30-F34 HydrophobicContact CD1-CD1 3.99Å; L30-F34 HydrophobicContact CD1-CE1 4.24Å; L30-F34 HydrophobicContact CD2-CD1 4.22Å; L30-F34 HydrophobicContact CD2-CE1 4.45Å; L30-F34 HydrophobicContact CG-CD1 4.49Å; L30-A35 HydrophobicContact CB-CB 4.49Å; L30-L38 HydrophobicContact CD1-CD1 3.62Å; L30-I393 WeakPolarHBondContact CD1-O 3.24Å; L30-L394 HydrophobicContact CD1-CD2 4.38Å; L30-P396 HydrophobicContact CD2-CG 4.27Å; L30-P396 HydrophobicContact CG-CG 4.43Å |
| 31 | T | 98.4 | Very high | 97 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 149.3 | 174.9 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | Q21 T22 L23 S33 F34 A35 | Q21-T31 WeakPolarHBondContact O-CG2 3.47Å; T22-T31 PolarHBondContact O-OG1 2.96Å; T22-T31 VanDerWaalsContact O-OG1 3.06Å; L23-T31 PolarHBondContact O-N 3.13Å; T31-S33 PolarHBondContact O-N 3.18Å; T31-S33 PolarHBondContact OG1-OG 3.08Å; T31-F34 PolarHBondContact O-N 3.11Å; T31-F34 WeakPolarHBondContact OG1-CB 3.23Å; T31-F34 PolarHBondContact OG1-N 2.67Å; T31-A35 WeakPolarHBondContact O-CB 3.49Å; T31-A35 PolarHBondContact O-N 2.94Å |
| 32 | P | 98.2 | Very high | 97.2 | Very high | 116 Ų | 116 | 57.4 Ų | 57.4 | 75% | 0.753 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.7 | -36.9 | 177 | -27.3 | 35.3 | 0 | 0 | 0 | 113.2 | Q36 | P32-Q36 VanDerWaalsContact O-CB 3.25Å; P32-Q36 WeakPolarHBondContact O-CB 3.45Å; P32-Q36 PolarHBondContact O-N 3.34Å |
| 33 | S | 98.1 | Very high | 97.4 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 51% | 0.51 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.9 | -42 | 179.7 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | T31 R37 | T31-S33 PolarHBondContact O-N 3.18Å; T31-S33 PolarHBondContact OG1-OG 3.08Å; S33-R37 WeakPolarHBondContact O-CG 3.31Å; S33-R37 PolarHBondContact O-N 3.41Å; S33-R37 VanDerWaalsContact O-N 3.15Å |
| 34 | F | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71 | -43.3 | 176.5 | -172.2 | -128.3 | 0 | 0 | 0 | 112 | L23 L30 T31 Q36 R37 L38 C356 A359 M363 | L23-F34 HydrophobicContact CD2-CD1 4.38Å; L23-F34 HydrophobicContact CD2-CD2 4.15Å; L23-F34 HydrophobicContact CD2-CE1 4.39Å; L23-F34 HydrophobicContact CD2-CE2 4.1Å; L23-F34 HydrophobicContact CD2-CG 4.27Å; L23-F34 HydrophobicContact CD2-CZ 4.23Å; L30-F34 HydrophobicContact CD1-CD1 3.99Å; L30-F34 HydrophobicContact CD1-CE1 4.24Å; L30-F34 HydrophobicContact CD2-CD1 4.22Å; L30-F34 HydrophobicContact CD2-CE1 4.45Å; L30-F34 HydrophobicContact CG-CD1 4.49Å; T31-F34 PolarHBondContact O-N 3.11Å; T31-F34 WeakPolarHBondContact OG1-CB 3.23Å; T31-F34 PolarHBondContact OG1-N 2.67Å; F34-Q36 VanDerWaalsContact C-N 3.27Å; F34-Q36 PolarHBondContact O-N 3.46Å; F34-R37 PolarHBondContact O-N 3.01Å; F34-R37 VanDerWaalsContact O-N 3.15Å; F34-L38 HydrophobicContact CD1-CD1 3.99Å; F34-L38 HydrophobicContact CE1-CD1 3.8Å; F34-L38 HydrophobicContact CE1-CG 4.42Å; F34-L38 HydrophobicContact CE2-CG 4.45Å; F34-L38 HydrophobicContact CG-CD1 4.48Å; F34-L38 HydrophobicContact CZ-CD1 4.18Å; F34-L38 HydrophobicContact CZ-CD2 4.31Å; F34-L38 HydrophobicContact CZ-CG 4.33Å; F34-L38 WeakPolarHBondContact O-CG 3.41Å; F34-L38 PolarHBondContact O-N 3.45Å; F34-C356 HydrophobicContact CE1-CB 3.81Å; F34-C356 VanDerWaalsContact CE1-SG 3.59Å; F34-C356 HydrophobicContact CZ-CB 3.86Å; F34-A359 HydrophobicContact CZ-CB 4.4Å; F34-M363 HydrophobicContact CD2-CE 4.48Å; F34-M363 HydrophobicContact CE2-CE 3.73Å; F34-M363 HydrophobicContact CZ-CE 4.49Å |
| 35 | A | 98.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L30 T31 L38 S39 L394 | L30-A35 HydrophobicContact CB-CB 4.49Å; T31-A35 WeakPolarHBondContact O-CB 3.49Å; T31-A35 PolarHBondContact O-N 2.94Å; A35-L38 PolarHBondContact O-N 3.4Å; A35-S39 WeakPolarHBondContact O-CB 3.37Å; A35-S39 PolarHBondContact O-N 3.16Å; A35-S39 PolarHBondContact O-OG 3.24Å; A35-L394 HydrophobicContact CB-CD2 3.82Å |
| 36 | Q | 98.5 | Very high | 97.7 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.5 | -176.4 | 59.6 | 50.5 | 0 | 0 | 112 | P32 F34 L38 S39 S40 | P32-Q36 VanDerWaalsContact O-CB 3.25Å; P32-Q36 WeakPolarHBondContact O-CB 3.45Å; P32-Q36 PolarHBondContact O-N 3.34Å; F34-Q36 VanDerWaalsContact C-N 3.27Å; F34-Q36 PolarHBondContact O-N 3.46Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; Q36-L38 PolarHBondContact O-N 2.79Å; Q36-S39 PolarHBondContact O-N 2.92Å; Q36-S40 PolarHBondContact NE2-OG 2.99Å; Q36-S40 VanDerWaalsContact NE2-OG 3.07Å; Q36-S40 WeakPolarHBondContact O-CB 3.48Å; Q36-S40 PolarHBondContact O-N 3.22Å; Q36-S40 PolarHBondContact O-OG 2.94Å |
| 37 | R | 98.6 | Very high | 98 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 42% | 0.415 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 176.1 | -73.2 | -168.4 | -68.5 | 149.9 | -7.8 | 111.9 | S33 F34 K41 D360 M363 | S33-R37 WeakPolarHBondContact O-CG 3.31Å; S33-R37 PolarHBondContact O-N 3.41Å; S33-R37 VanDerWaalsContact O-N 3.15Å; F34-R37 PolarHBondContact O-N 3.01Å; F34-R37 VanDerWaalsContact O-N 3.15Å; R37-K41 WeakPolarHBondContact O-CB 3.38Å; R37-K41 PolarHBondContact O-N 3.49Å; R37-D360 IonicContact NH1-OD1 2.71Å; R37-M363 HydrophobicContact CB-SD 4.21Å |
| 38 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -50.1 | 176 | -70.5 | 167.7 | 0 | 0 | 0 | 111.1 | L30 F34 A35 Q36 S40 K41 V42 A359 M363 L390 I393 L394 | L30-L38 HydrophobicContact CD1-CD1 3.62Å; F34-L38 HydrophobicContact CD1-CD1 3.99Å; F34-L38 HydrophobicContact CE1-CD1 3.8Å; F34-L38 HydrophobicContact CE1-CG 4.42Å; F34-L38 HydrophobicContact CE2-CG 4.45Å; F34-L38 HydrophobicContact CG-CD1 4.48Å; F34-L38 HydrophobicContact CZ-CD1 4.18Å; F34-L38 HydrophobicContact CZ-CD2 4.31Å; F34-L38 HydrophobicContact CZ-CG 4.33Å; F34-L38 WeakPolarHBondContact O-CG 3.41Å; F34-L38 PolarHBondContact O-N 3.45Å; A35-L38 PolarHBondContact O-N 3.4Å; Q36-L38 VanDerWaalsContact C-N 3.35Å; Q36-L38 PolarHBondContact O-N 2.79Å; L38-S40 PolarHBondContact O-N 2.91Å; L38-K41 PolarHBondContact O-N 3.48Å; L38-V42 WeakPolarHBondContact O-CG2 3.31Å; L38-V42 PolarHBondContact O-N 2.98Å; L38-A359 HydrophobicContact CD2-CB 3.97Å; L38-M363 HydrophobicContact CD2-CE 4.2Å; L38-M363 HydrophobicContact CD2-CG 4.33Å; L38-M363 HydrophobicContact CD2-SD 3.84Å; L38-M363 HydrophobicContact CG-SD 4.33Å; L38-L390 HydrophobicContact CD2-CD2 3.76Å; L38-I393 HydrophobicContact CD1-CG2 3.88Å; L38-I393 HydrophobicContact CD2-CG2 4.18Å; L38-L394 HydrophobicContact CB-CD2 4.02Å; L38-L394 HydrophobicContact CD1-CD2 3.87Å |
| 39 | S | 98.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | -178.1 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | A35 Q36 K41 V42 S43 | A35-S39 WeakPolarHBondContact O-CB 3.37Å; A35-S39 PolarHBondContact O-N 3.16Å; A35-S39 PolarHBondContact O-OG 3.24Å; Q36-S39 PolarHBondContact O-N 2.92Å; S39-K41 VanDerWaalsContact C-N 3.33Å; S39-K41 PolarHBondContact O-N 3.22Å; S39-V42 WeakPolarHBondContact O-CB 3.28Å; S39-V42 PolarHBondContact O-N 3.38Å; S39-S43 PolarHBondContact O-N 3.4Å; S39-S43 PolarHBondContact O-OG 3.12Å |
| 40 | S | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.2 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | Q36 L38 S43 E44 | Q36-S40 PolarHBondContact NE2-OG 2.99Å; Q36-S40 VanDerWaalsContact NE2-OG 3.07Å; Q36-S40 WeakPolarHBondContact O-CB 3.48Å; Q36-S40 PolarHBondContact O-N 3.22Å; Q36-S40 PolarHBondContact O-OG 2.94Å; L38-S40 PolarHBondContact O-N 2.91Å; S40-S43 PolarHBondContact O-N 3.15Å; S40-E44 PolarHBondContact O-N 2.7Å |
| 41 | K | 98.7 | Very high | 98.5 | Very high | 38 Ų | 38 | 51 Ų | 51 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 177 | -173.5 | 60.4 | 60.2 | 175.9 | 0 | 112.4 | R37 L38 S39 S43 E44 L45 M363 L390 | R37-K41 WeakPolarHBondContact O-CB 3.38Å; R37-K41 PolarHBondContact O-N 3.49Å; L38-K41 PolarHBondContact O-N 3.48Å; S39-K41 VanDerWaalsContact C-N 3.33Å; S39-K41 PolarHBondContact O-N 3.22Å; K41-S43 VanDerWaalsContact C-N 3.34Å; K41-E44 VanDerWaalsContact CE-OE2 3.29Å; K41-E44 WeakPolarHBondContact CE-OE2 3.32Å; K41-E44 IonicContact NZ-OE1 2.87Å; K41-E44 PolarHBondContact NZ-OE1 2.76Å; K41-E44 IonicContact NZ-OE2 3.87Å; K41-E44 PolarHBondContact NZ-OE2 2.88Å; K41-E44 PolarHBondContact O-N 3.03Å; K41-L45 HydrophobicContact CD-CD1 4.28Å; K41-L45 HydrophobicContact CD-CG 4.04Å; K41-L45 HydrophobicContact CG-CD1 4.07Å; K41-L45 HydrophobicContact CG-CG 4.25Å; K41-L45 WeakPolarHBondContact O-CB 3.48Å; K41-L45 WeakPolarHBondContact O-CG 3.26Å; K41-L45 PolarHBondContact O-N 2.61Å; K41-M363 HydrophobicContact CB-CB 4.49Å; K41-M363 HydrophobicContact CB-CG 4Å; K41-M363 HydrophobicContact CB-SD 4.21Å; K41-M363 WeakPolarHBondContact CD-O 3.37Å; K41-M363 WeakPolarHBondContact CE-O 3.06Å; K41-M363 HydrophobicContact CG-CB 3.97Å; K41-M363 HydrophobicContact CG-CG 3.84Å; K41-M363 PolarHBondContact NZ-O 3.46Å; K41-L390 HydrophobicContact CG-CD1 4.17Å |
| 42 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 171.2 | 161.2 | 0 | 0 | 0 | 0 | 110.1 | L38 S39 E44 L45 L46 L77 F81 I387 L390 A391 | L38-V42 WeakPolarHBondContact O-CG2 3.31Å; L38-V42 PolarHBondContact O-N 2.98Å; S39-V42 WeakPolarHBondContact O-CB 3.28Å; S39-V42 PolarHBondContact O-N 3.38Å; V42-E44 PolarHBondContact O-N 3.12Å; V42-L45 PolarHBondContact O-N 3.18Å; V42-L46 HydrophobicContact CG1-CD1 3.73Å; V42-L46 HydrophobicContact CG1-CG 4.4Å; V42-L46 VanDerWaalsContact O-CB 3.31Å; V42-L46 WeakPolarHBondContact O-CB 3.23Å; V42-L46 VanDerWaalsContact O-CG 3.24Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 3.08Å; V42-L77 HydrophobicContact CG1-CD2 4.01Å; V42-F81 HydrophobicContact CG1-CE2 4.15Å; V42-F81 HydrophobicContact CG1-CZ 4.26Å; V42-I387 HydrophobicContact CG1-CG2 3.94Å; V42-I387 HydrophobicContact CG2-CG2 4.37Å; V42-L390 HydrophobicContact CG2-CB 3.69Å; V42-A391 HydrophobicContact CG2-CB 4.42Å |
| 43 | S | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.5 | -42.6 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | S39 S40 K41 L46 A47 | S39-S43 PolarHBondContact O-N 3.4Å; S39-S43 PolarHBondContact O-OG 3.12Å; S40-S43 PolarHBondContact O-N 3.15Å; K41-S43 VanDerWaalsContact C-N 3.34Å; S43-L46 PolarHBondContact O-N 2.85Å; S43-A47 PolarHBondContact O-N 3.41Å |
| 44 | E | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -51.8 | 177 | -178.2 | -167.5 | 137.3 | 0 | 0 | 111.6 | S40 K41 V42 L46 A47 V48 | S40-E44 PolarHBondContact O-N 2.7Å; K41-E44 VanDerWaalsContact CE-OE2 3.29Å; K41-E44 WeakPolarHBondContact CE-OE2 3.32Å; K41-E44 IonicContact NZ-OE1 2.87Å; K41-E44 PolarHBondContact NZ-OE1 2.76Å; K41-E44 IonicContact NZ-OE2 3.87Å; K41-E44 PolarHBondContact NZ-OE2 2.88Å; K41-E44 PolarHBondContact O-N 3.03Å; V42-E44 PolarHBondContact O-N 3.12Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.32Å; E44-A47 PolarHBondContact O-N 3.03Å; E44-V48 PolarHBondContact O-N 2.87Å |
| 45 | L | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.9 | -35 | -179.4 | -67.4 | 179.6 | 0 | 0 | 0 | 111.8 | K41 V42 A47 V48 M49 Y365 M383 I387 L390 | K41-L45 HydrophobicContact CD-CD1 4.28Å; K41-L45 HydrophobicContact CD-CG 4.04Å; K41-L45 HydrophobicContact CG-CD1 4.07Å; K41-L45 HydrophobicContact CG-CG 4.25Å; K41-L45 WeakPolarHBondContact O-CB 3.48Å; K41-L45 WeakPolarHBondContact O-CG 3.26Å; K41-L45 PolarHBondContact O-N 2.61Å; V42-L45 PolarHBondContact O-N 3.18Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3.08Å; L45-V48 PolarHBondContact O-N 2.82Å; L45-M49 VanDerWaalsContact O-CB 3.28Å; L45-M49 WeakPolarHBondContact O-CB 3.22Å; L45-M49 PolarHBondContact O-N 3.21Å; L45-Y365 HydrophobicContact CD2-CG 4.35Å; L45-M383 HydrophobicContact CB-CG 4.25Å; L45-M383 HydrophobicContact CB-SD 4.06Å; L45-M383 HydrophobicContact CD2-CE 4.14Å; L45-M383 HydrophobicContact CD2-CG 4.48Å; L45-M383 HydrophobicContact CD2-SD 4.03Å; L45-I387 HydrophobicContact CB-CD1 3.82Å; L45-I387 HydrophobicContact CB-CG1 3.64Å; L45-I387 HydrophobicContact CD1-CG1 4.25Å; L45-L390 HydrophobicContact CD1-CD1 4.02Å |
| 46 | L | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 173.3 | -82.7 | 168 | 0 | 0 | 0 | 111.6 | V42 S43 E44 V48 M49 E50 L73 Y74 L77 F86 I387 | V42-L46 HydrophobicContact CG1-CD1 3.73Å; V42-L46 HydrophobicContact CG1-CG 4.4Å; V42-L46 VanDerWaalsContact O-CB 3.31Å; V42-L46 WeakPolarHBondContact O-CB 3.23Å; V42-L46 VanDerWaalsContact O-CG 3.24Å; V42-L46 WeakPolarHBondContact O-CG 3.35Å; V42-L46 PolarHBondContact O-N 3.08Å; S43-L46 PolarHBondContact O-N 2.85Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 3.32Å; L46-V48 PolarHBondContact O-N 3.3Å; L46-M49 HydrophobicContact CD2-CE 3.74Å; L46-M49 PolarHBondContact O-N 2.94Å; L46-E50 VanDerWaalsContact O-CB 3.29Å; L46-E50 WeakPolarHBondContact O-CB 3.37Å; L46-E50 VanDerWaalsContact O-CG 3.27Å; L46-E50 WeakPolarHBondContact O-CG 3.42Å; L46-E50 PolarHBondContact O-N 3.41Å; L46-L73 HydrophobicContact CD2-CD2 4.28Å; L46-Y74 HydrophobicContact CD2-CE1 4.14Å; L46-Y74 WeakPolarHBondContact CD2-OH 3.11Å; L46-L77 HydrophobicContact CD1-CD1 3.75Å; L46-L77 HydrophobicContact CD2-CD1 3.73Å; L46-L77 HydrophobicContact CG-CD1 4.31Å; L46-F86 HydrophobicContact CD1-CE1 4.24Å; L46-I387 HydrophobicContact CD2-CD1 4.06Å; L46-I387 HydrophobicContact CD2-CG2 4.17Å; L46-I387 HydrophobicContact CG-CD1 4.14Å; L46-I387 HydrophobicContact CG-CG2 4.06Å |
| 47 | A | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 53 Ų | 53 | 55% | 0.554 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S43 E44 L45 N51 | S43-A47 PolarHBondContact O-N 3.41Å; E44-A47 PolarHBondContact O-N 3.03Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3.08Å; A47-N51 PolarHBondContact O-N 3.43Å |
| 48 | V | 98.5 | Very high | 98.1 | Very high | 73 Ų | 73 | 51 Ų | 51 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 176 | 177.1 | 0 | 0 | 0 | 0 | 111 | E44 L45 L46 N51 G52 M383 | E44-V48 PolarHBondContact O-N 2.87Å; L45-V48 PolarHBondContact O-N 2.82Å; L46-V48 PolarHBondContact O-N 3.3Å; V48-N51 PolarHBondContact O-N 3.42Å; V48-G52 PolarHBondContact O-N 2.93Å; V48-M383 HydrophobicContact CB-CE 4.39Å; V48-M383 HydrophobicContact CB-SD 4.02Å; V48-M383 HydrophobicContact CG1-CE 3.8Å; V48-M383 HydrophobicContact CG1-SD 3.98Å |
| 49 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -50.1 | 178.6 | -175.6 | -166.4 | 74.7 | 0 | 0 | 111.1 | L45 L46 N51 G52 L53 I70 L73 Y74 F377 M383 A384 I387 | L45-M49 VanDerWaalsContact O-CB 3.28Å; L45-M49 WeakPolarHBondContact O-CB 3.22Å; L45-M49 PolarHBondContact O-N 3.21Å; L46-M49 HydrophobicContact CD2-CE 3.74Å; L46-M49 PolarHBondContact O-N 2.94Å; M49-N51 VanDerWaalsContact C-N 3.29Å; M49-N51 PolarHBondContact O-N 3.06Å; M49-G52 CarbonylContact O-C 3.6Å; M49-G52 WeakPolarHBondContact O-CA 3.39Å; M49-G52 PolarHBondContact O-N 3.46Å; M49-L53 HydrophobicContact CE-CD1 4.02Å; M49-L53 HydrophobicContact CG-CD1 4.02Å; M49-L53 HydrophobicContact CG-CG 4.22Å; M49-L53 VanDerWaalsContact O-CG 3.3Å; M49-L53 WeakPolarHBondContact O-CG 3.46Å; M49-L53 PolarHBondContact O-N 3.4Å; M49-L53 HydrophobicContact SD-CD1 4.46Å; M49-I70 HydrophobicContact CE-CG2 4.35Å; M49-I70 HydrophobicContact SD-CD1 4.47Å; M49-L73 HydrophobicContact CE-CD2 3.88Å; M49-L73 HydrophobicContact SD-CD2 3.8Å; M49-Y74 HydrophobicContact CE-CE2 3.94Å; M49-F377 HydrophobicContact CB-CD1 4.42Å; M49-F377 HydrophobicContact CG-CB 4.01Å; M49-F377 HydrophobicContact CG-CD1 4.3Å; M49-M383 HydrophobicContact CB-CG 4.43Å; M49-M383 HydrophobicContact CB-SD 3.97Å; M49-A384 HydrophobicContact SD-CB 3.6Å; M49-A384 VanDerWaalsContact SD-CB 3.6Å; M49-I387 HydrophobicContact CB-CD1 4.17Å; M49-I387 HydrophobicContact SD-CD1 3.81Å |
| 50 | E | 98.5 | Very high | 97.9 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.6 | -40.4 | 179.4 | -81.2 | -77.5 | -162.2 | 0 | 0 | 112.7 | L46 Y74 R89 Y93 | L46-E50 VanDerWaalsContact O-CB 3.29Å; L46-E50 WeakPolarHBondContact O-CB 3.37Å; L46-E50 VanDerWaalsContact O-CG 3.27Å; L46-E50 WeakPolarHBondContact O-CG 3.42Å; L46-E50 PolarHBondContact O-N 3.41Å; E50-Y74 WeakPolarHBondContact CG-OH 3.45Å; E50-Y74 PolarHBondContact OE1-OH 3.04Å; E50-R89 IonicContact OE1-CZ 3.22Å; E50-R89 VanDerWaalsContact OE1-CZ 3.22Å; E50-R89 IonicContact OE1-NE 2.93Å; E50-R89 PolarHBondContact OE1-NE 2.81Å; E50-R89 IonicContact OE1-NH2 3.56Å; E50-R89 PolarHBondContact OE1-NH2 3.2Å; E50-R89 IonicContact OE2-CZ 3.92Å; E50-R89 IonicContact OE2-NH2 2.79Å; E50-R89 PolarHBondContact OE2-NH2 3.32Å; E50-Y93 VanDerWaalsContact CD-OH 3.26Å; E50-Y93 PolarHBondContact OE1-OH 3.5Å; E50-Y93 PolarHBondContact OE2-OH 3.1Å |
| 51 | N | 98.4 | Very high | 97.8 | Very high | 102 Ų | 102 | 57 Ų | 57 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 174.5 | -170.7 | 57.1 | 0 | 0 | 0 | 112 | A47 V48 M49 K54 | A47-N51 PolarHBondContact O-N 3.43Å; V48-N51 PolarHBondContact O-N 3.42Å; M49-N51 VanDerWaalsContact C-N 3.29Å; M49-N51 PolarHBondContact O-N 3.06Å; N51-K54 WeakPolarHBondContact O-CB 3.42Å; N51-K54 WeakPolarHBondContact O-CG 3.42Å; N51-K54 PolarHBondContact O-N 3Å; N51-K54 PolarHBondContact OD1-NZ 3.12Å |
| 52 | G | 98.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V48 M49 K54 S55 F377 | V48-G52 PolarHBondContact O-N 2.93Å; M49-G52 CarbonylContact O-C 3.6Å; M49-G52 WeakPolarHBondContact O-CA 3.39Å; M49-G52 PolarHBondContact O-N 3.46Å; G52-K54 PolarHBondContact O-N 3.25Å; G52-K54 VanDerWaalsContact O-N 3.08Å; G52-S55 PolarHBondContact O-N 3.33Å; G52-S55 VanDerWaalsContact O-N 3.12Å; G52-S55 PolarHBondContact O-OG 3.1Å; G52-F377 VanDerWaalsContact CA-CZ 3.47Å |
| 53 | L | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -63.9 | -14.3 | 178.9 | -73.5 | 173.2 | 0 | 0 | 0 | 113.5 | M49 S55 A56 W67 I70 Y93 F377 | M49-L53 HydrophobicContact CE-CD1 4.02Å; M49-L53 HydrophobicContact CG-CD1 4.02Å; M49-L53 HydrophobicContact CG-CG 4.22Å; M49-L53 VanDerWaalsContact O-CG 3.3Å; M49-L53 WeakPolarHBondContact O-CG 3.46Å; M49-L53 PolarHBondContact O-N 3.4Å; M49-L53 HydrophobicContact SD-CD1 4.46Å; L53-S55 PolarHBondContact O-N 2.99Å; L53-A56 HydrophobicContact CD2-CB 4.25Å; L53-A56 PolarHBondContact O-N 3.23Å; L53-W67 HydrophobicContact CB-CH2 4.36Å; L53-W67 HydrophobicContact CB-CZ3 4.18Å; L53-W67 HydrophobicContact CD2-CH2 4.24Å; L53-W67 HydrophobicContact CD2-CZ3 3.89Å; L53-W67 HydrophobicContact CG-CZ3 4.43Å; L53-W67 WeakPolarHBondContact O-CH2 3.19Å; L53-I70 HydrophobicContact CD1-CD1 4.23Å; L53-I70 HydrophobicContact CD1-CG1 4.17Å; L53-I70 HydrophobicContact CD1-CG2 3.83Å; L53-I70 HydrophobicContact CD2-CD1 4.02Å; L53-I70 HydrophobicContact CD2-CG1 4.08Å; L53-Y93 HydrophobicContact CD1-CE1 4.3Å; L53-Y93 WeakPolarHBondContact CD1-OH 3.19Å; L53-F377 HydrophobicContact CD2-CB 3.72Å; L53-F377 HydrophobicContact CG-CB 4.13Å |
| 54 | K | 97.3 | Very high | 97.8 | Very high | 163 Ų | 163 | 53.7 Ų | 53.7 | 71% | 0.709 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.8 | -25 | 173.2 | -63.7 | 173.6 | -173.5 | 163.9 | 0 | 112.8 | N51 G52 | N51-K54 WeakPolarHBondContact O-CB 3.42Å; N51-K54 WeakPolarHBondContact O-CG 3.42Å; N51-K54 PolarHBondContact O-N 3Å; N51-K54 PolarHBondContact OD1-NZ 3.12Å; G52-K54 PolarHBondContact O-N 3.25Å; G52-K54 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 96.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -106.7 | 1.6 | 179 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | G52 L53 | G52-S55 PolarHBondContact O-N 3.33Å; G52-S55 VanDerWaalsContact O-N 3.12Å; G52-S55 PolarHBondContact O-OG 3.1Å; L53-S55 PolarHBondContact O-N 2.99Å |
| 56 | A | 97.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71.6 | 153.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L53 P58 W67 | L53-A56 HydrophobicContact CD2-CB 4.25Å; L53-A56 PolarHBondContact O-N 3.23Å; A56-P58 WeakPolarHBondContact O-CD 3.37Å; A56-P58 VanDerWaalsContact O-N 3.08Å; A56-W67 HydrophobicContact CB-CH2 3.74Å; A56-W67 HydrophobicContact CB-CZ2 3.99Å |
| 57 | D | 97.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 50.2 Ų | 50.2 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | trans | -54.4 | 116.2 | -178 | -176.3 | -12.7 | 0 | 0 | 0 | 110.1 | R59 D60 W67 | D57-R59 PolarHBondContact O-N 2.91Å; D57-R59 VanDerWaalsContact O-N 3.12Å; D57-R59 WeakPolarHBondContact OD1-CB 3.43Å; D57-R59 PolarHBondContact OD1-N 2.87Å; D57-R59 IonicContact OD1-NE 3.74Å; D57-D60 HydrophobicContact CB-CB 4.31Å; D57-D60 PolarHBondContact O-N 3.17Å; D57-W67 WeakPolarHBondContact O-CZ2 3.46Å; D57-W67 PolarHBondContact O-NE1 3.09Å; D57-W67 VanDerWaalsContact O-NE1 3.11Å | ||
| 58 | P | 95.5 | Very high | 97.7 | Very high | 68 Ų | 68 | 47 Ų | 47 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.7 | -177.7 | 26.6 | -34.9 | 0 | 0 | 0 | 113.7 | A56 W67 H100 | A56-P58 WeakPolarHBondContact O-CD 3.37Å; A56-P58 VanDerWaalsContact O-N 3.08Å; P58-W67 PolarHBondContact O-NE1 2.87Å; P58-W67 VanDerWaalsContact O-NE1 3.1Å; P58-H100 PolarHBondContact O-CD2 3.04Å; P58-H100 PolarHBondContact O-NE2 3.31Å |
| 59 | R | 95.4 | Very high | 97.7 | Very high | 173 Ų | 173 | 43.5 Ų | 43.5 | 65% | 0.653 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | -18.1 | -174.4 | -53.1 | -177.6 | -54.9 | 167.5 | 9.3 | 114 | D57 C61 H100 | D57-R59 PolarHBondContact O-N 2.91Å; D57-R59 VanDerWaalsContact O-N 3.12Å; D57-R59 WeakPolarHBondContact OD1-CB 3.43Å; D57-R59 PolarHBondContact OD1-N 2.87Å; D57-R59 IonicContact OD1-NE 3.74Å; R59-C61 PolarHBondContact O-N 3.38Å; R59-H100 WeakPolarHBondContact O-CB 3.38Å |
| 60 | D | 96.7 | Very high | 97.7 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | trans | -70.8 | 101.6 | -179.5 | -174.7 | -3.9 | 0 | 0 | 0 | 110.2 | D57 T62 T65 G66 W67 | D57-D60 HydrophobicContact CB-CB 4.31Å; D57-D60 PolarHBondContact O-N 3.17Å; D60-T62 VanDerWaalsContact OD1-CB 3.31Å; D60-T62 WeakPolarHBondContact OD1-CB 3.39Å; D60-T62 VanDerWaalsContact OD1-CG2 3.3Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.45Å; D60-T62 PolarHBondContact OD1-N 3.26Å; D60-T62 PolarHBondContact OD1-OG1 3.26Å; D60-T65 VanDerWaalsContact OD2-C 3.28Å; D60-T65 WeakPolarHBondContact OD2-CB 3.42Å; D60-T65 PolarHBondContact OD2-OG1 3.07Å; D60-G66 VanDerWaalsContact CG-CA 3.46Å; D60-G66 WeakPolarHBondContact O-CA 3.35Å; D60-G66 PolarHBondContact OD2-N 2.86Å; D60-W67 PolarHBondContact O-N 3.03Å; D60-W67 PolarHBondContact O-NE1 3.48Å | ||
| 61 | C | 96.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | trans | -87.4 | -8.1 | 179.8 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | R59 A68 S97 H100 P116 | R59-C61 PolarHBondContact O-N 3.38Å; C61-A68 WeakPolarHBondContact O-CB 3.44Å; C61-A68 PolarHBondContact O-N 3.16Å; C61-S97 VanDerWaalsContact CB-O 3.28Å; C61-S97 WeakPolarHBondContact CB-O 3.36Å; C61-H100 HydrophobicContact CB-CB 4.09Å; C61-H100 PolarHBondContact SG-O 3.32Å; C61-P116 HydrophobicContact CB-CG 4.31Å; C61-P116 WeakPolarHBondContact O-CG 3.44Å | ||
| 62 | T | 98.1 | Very high | 97.8 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | trans | -64.3 | 160.1 | -166.3 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | D60 T65 G66 A68 G69 L110 | D60-T62 VanDerWaalsContact OD1-CB 3.31Å; D60-T62 WeakPolarHBondContact OD1-CB 3.39Å; D60-T62 VanDerWaalsContact OD1-CG2 3.3Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.45Å; D60-T62 PolarHBondContact OD1-N 3.26Å; D60-T62 PolarHBondContact OD1-OG1 3.26Å; T62-T65 PolarHBondContact OG1-N 3.38Å; T62-T65 VanDerWaalsContact OG1-N 3.13Å; T62-T65 PolarHBondContact OG1-OG1 2.93Å; T62-G66 CarbonylContact O-C 3.49Å; T62-G66 WeakPolarHBondContact O-CA 3.38Å; T62-G66 PolarHBondContact O-N 2.9Å; T62-G66 VanDerWaalsContact O-N 3.11Å; T62-G66 PolarHBondContact OG1-N 3.22Å; T62-G66 VanDerWaalsContact OG1-N 3.15Å; T62-A68 PolarHBondContact O-N 2.92Å; T62-G69 PolarHBondContact O-N 2.85Å; T62-L110 WeakPolarHBondContact CB-O 3.49Å | ||
| 63 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -79.7 | -24.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A68 G69 F109 L110 | A63-A68 HydrophobicContact CB-CB 4.25Å; A63-G69 WeakPolarHBondContact O-CA 3.19Å; A63-F109 HydrophobicContact CB-CD1 4.06Å; A63-F109 HydrophobicContact CB-CE1 3.94Å; A63-F109 WeakPolarHBondContact CB-O 3.37Å; A63-L110 HydrophobicContact CB-CD2 4.47Å; A63-L110 PolarHBondContact N-O 3.37Å |
| 64 | Y | 98.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -70.3 | -59.4 | 179.9 | -170.6 | -92.2 | 0 | 0 | 0 | 111.5 | L110 L159 C329 F380 E381 | Y64-L110 WeakPolarHBondContact CB-O 3.39Å; Y64-L110 PolarHBondContact N-O 2.89Å; Y64-L159 HydrophobicContact CD2-CD1 4.46Å; Y64-L159 HydrophobicContact CD2-CD2 4.43Å; Y64-L159 HydrophobicContact CE2-CD1 4.12Å; Y64-C329 HydrophobicContact CE2-CB 4.28Å; Y64-C329 PolarHBondContact OH-SG 3.47Å; Y64-F380 HydrophobicContact CD1-CB 4.19Å; Y64-F380 HydrophobicContact CD2-CB 3.42Å; Y64-F380 VanDerWaalsContact CD2-CB 3.42Å; Y64-F380 AromaticContact CD2-CD1 3.61Å; Y64-F380 HydrophobicContact CD2-CD1 3.61Å; Y64-F380 HydrophobicContact CD2-CD2 4.05Å; Y64-F380 HydrophobicContact CD2-CE1 4.42Å; Y64-F380 AromaticContact CD2-CG 3.39Å; Y64-F380 HydrophobicContact CD2-CG 3.39Å; Y64-F380 HydrophobicContact CE1-CB 4.15Å; Y64-F380 HydrophobicContact CE2-CB 3.39Å; Y64-F380 AromaticContact CE2-CD1 3.52Å; Y64-F380 HydrophobicContact CE2-CD1 3.52Å; Y64-F380 AromaticContact CE2-CG 3.61Å; Y64-F380 HydrophobicContact CE2-CG 3.61Å; Y64-F380 HydrophobicContact CG-CB 3.82Å; Y64-F380 HydrophobicContact CG-CG 4.12Å; Y64-F380 WeakPolarHBondContact O-CB 3.41Å; Y64-F380 PolarHBondContact O-N 2.94Å; Y64-E381 HydrophobicContact CE1-CG 3.98Å |
| 65 | T | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 28.8 Ų | 28.8 | 23% | 0.227 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -113.5 | -14.5 | -175.7 | 45.6 | 0 | 0 | 0 | 0 | 115 | D60 T62 T375 S378 E381 | D60-T65 VanDerWaalsContact OD2-C 3.28Å; D60-T65 WeakPolarHBondContact OD2-CB 3.42Å; D60-T65 PolarHBondContact OD2-OG1 3.07Å; T62-T65 PolarHBondContact OG1-N 3.38Å; T62-T65 VanDerWaalsContact OG1-N 3.13Å; T62-T65 PolarHBondContact OG1-OG1 2.93Å; T65-T375 HydrophobicContact CG2-CG2 3.94Å; T65-T375 VanDerWaalsContact CG2-OG1 3.31Å; T65-T375 WeakPolarHBondContact CG2-OG1 3.17Å; T65-S378 VanDerWaalsContact O-CB 3.23Å; T65-S378 WeakPolarHBondContact O-CB 3.49Å; T65-E381 HydrophobicContact CG2-CG 4.29Å |
| 66 | G | 98.2 | Very high | 98 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -112.2 | -159.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | D60 T62 A68 G69 I70 | D60-G66 VanDerWaalsContact CG-CA 3.46Å; D60-G66 WeakPolarHBondContact O-CA 3.35Å; D60-G66 PolarHBondContact OD2-N 2.86Å; T62-G66 CarbonylContact O-C 3.49Å; T62-G66 WeakPolarHBondContact O-CA 3.38Å; T62-G66 PolarHBondContact O-N 2.9Å; T62-G66 VanDerWaalsContact O-N 3.11Å; T62-G66 PolarHBondContact OG1-N 3.22Å; T62-G66 VanDerWaalsContact OG1-N 3.15Å; G66-A68 PolarHBondContact O-N 3.23Å; G66-G69 PolarHBondContact O-N 3.28Å; G66-G69 VanDerWaalsContact O-N 3.15Å; G66-I70 PolarHBondContact O-N 2.86Å |
| 67 | W | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -32.4 | -171 | -58.5 | 114.9 | 0 | 0 | 0 | 114.7 | L53 A56 D57 P58 D60 G69 I70 A71 Y93 R96 | L53-W67 HydrophobicContact CB-CH2 4.36Å; L53-W67 HydrophobicContact CB-CZ3 4.18Å; L53-W67 HydrophobicContact CD2-CH2 4.24Å; L53-W67 HydrophobicContact CD2-CZ3 3.89Å; L53-W67 HydrophobicContact CG-CZ3 4.43Å; L53-W67 WeakPolarHBondContact O-CH2 3.19Å; A56-W67 HydrophobicContact CB-CH2 3.74Å; A56-W67 HydrophobicContact CB-CZ2 3.99Å; D57-W67 WeakPolarHBondContact O-CZ2 3.46Å; D57-W67 PolarHBondContact O-NE1 3.09Å; D57-W67 VanDerWaalsContact O-NE1 3.11Å; P58-W67 PolarHBondContact O-NE1 2.87Å; P58-W67 VanDerWaalsContact O-NE1 3.1Å; D60-W67 PolarHBondContact O-N 3.03Å; D60-W67 PolarHBondContact O-NE1 3.48Å; W67-G69 PolarHBondContact O-N 3.46Å; W67-I70 HydrophobicContact CE3-CG1 4.43Å; W67-I70 PolarHBondContact O-N 3.18Å; W67-A71 PolarHBondContact O-N 3.42Å; W67-Y93 AromaticContact CE3-CD1 3.59Å; W67-Y93 HydrophobicContact CE3-CD1 3.59Å; W67-Y93 AromaticContact CE3-CE1 3.73Å; W67-Y93 HydrophobicContact CE3-CE1 3.73Å; W67-Y93 HydrophobicContact CZ3-CD1 4.12Å; W67-Y93 AromaticContact CZ3-CE1 3.76Å; W67-Y93 HydrophobicContact CZ3-CE1 3.76Å; W67-R96 HydrophobicContact CD2-CG 4.19Å; W67-R96 HydrophobicContact CG-CB 4.36Å; W67-R96 HydrophobicContact CG-CG 3.89Å; W67-R96 VanDerWaalsContact CZ3-NH1 3.31Å |
| 68 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.6 | -28.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C61 T62 A63 G66 A71 L72 P116 | C61-A68 WeakPolarHBondContact O-CB 3.44Å; C61-A68 PolarHBondContact O-N 3.16Å; T62-A68 PolarHBondContact O-N 2.92Å; A63-A68 HydrophobicContact CB-CB 4.25Å; G66-A68 PolarHBondContact O-N 3.23Å; A68-A71 PolarHBondContact O-N 3.04Å; A68-L72 WeakPolarHBondContact O-CB 3.43Å; A68-L72 PolarHBondContact O-N 3.12Å; A68-P116 HydrophobicContact CB-CB 4.18Å; A68-P116 HydrophobicContact CB-CG 3.88Å |
| 69 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.4 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | T62 A63 G66 W67 L72 L73 | T62-G69 PolarHBondContact O-N 2.85Å; A63-G69 WeakPolarHBondContact O-CA 3.19Å; G66-G69 PolarHBondContact O-N 3.28Å; G66-G69 VanDerWaalsContact O-N 3.15Å; W67-G69 PolarHBondContact O-N 3.46Å; G69-L72 PolarHBondContact O-N 3.42Å; G69-L73 PolarHBondContact O-N 2.92Å |
| 70 | I | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67 | -41.4 | 174 | -50.1 | -54 | 0 | 0 | 0 | 110.9 | M49 L53 G66 W67 L72 L73 Y74 Y93 F377 A384 | M49-I70 HydrophobicContact CE-CG2 4.35Å; M49-I70 HydrophobicContact SD-CD1 4.47Å; L53-I70 HydrophobicContact CD1-CD1 4.23Å; L53-I70 HydrophobicContact CD1-CG1 4.17Å; L53-I70 HydrophobicContact CD1-CG2 3.83Å; L53-I70 HydrophobicContact CD2-CD1 4.02Å; L53-I70 HydrophobicContact CD2-CG1 4.08Å; G66-I70 PolarHBondContact O-N 2.86Å; W67-I70 HydrophobicContact CE3-CG1 4.43Å; W67-I70 PolarHBondContact O-N 3.18Å; I70-L72 VanDerWaalsContact C-N 3.31Å; I70-L72 PolarHBondContact O-N 2.85Å; I70-L73 WeakPolarHBondContact O-CB 3.46Å; I70-L73 PolarHBondContact O-N 3.14Å; I70-Y74 HydrophobicContact CG2-CD2 3.9Å; I70-Y74 HydrophobicContact CG2-CE2 3.81Å; I70-Y74 WeakPolarHBondContact O-CD2 2.97Å; I70-Y74 PolarHBondContact O-N 2.71Å; I70-Y93 HydrophobicContact CB-CD1 4.27Å; I70-Y93 HydrophobicContact CB-CD2 4.35Å; I70-Y93 HydrophobicContact CB-CE1 4.49Å; I70-Y93 HydrophobicContact CB-CG 4.17Å; I70-Y93 HydrophobicContact CG2-CD1 4.04Å; I70-Y93 HydrophobicContact CG2-CD2 3.61Å; I70-Y93 HydrophobicContact CG2-CE1 3.91Å; I70-Y93 HydrophobicContact CG2-CE2 3.5Å; I70-Y93 VanDerWaalsContact CG2-CE2 3.5Å; I70-Y93 HydrophobicContact CG2-CG 3.88Å; I70-F377 WeakPolarHBondContact CD1-O 3.31Å; I70-A384 HydrophobicContact CD1-CB 3.75Å |
| 71 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W67 A68 L73 Y74 L75 V94 V119 | W67-A71 PolarHBondContact O-N 3.42Å; A68-A71 PolarHBondContact O-N 3.04Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-L73 PolarHBondContact O-N 3.02Å; A71-Y74 PolarHBondContact O-N 3.24Å; A71-L75 WeakPolarHBondContact O-CB 3.4Å; A71-L75 PolarHBondContact O-N 3.22Å; A71-V94 HydrophobicContact CB-CG2 3.76Å; A71-V119 HydrophobicContact CB-CG1 3.82Å |
| 72 | L | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.8 | -179.9 | 59 | 0 | 0 | 0 | 111.9 | A68 G69 I70 L75 H76 F109 V119 F171 L379 Y388 A403 | A68-L72 WeakPolarHBondContact O-CB 3.43Å; A68-L72 PolarHBondContact O-N 3.12Å; G69-L72 PolarHBondContact O-N 3.42Å; I70-L72 VanDerWaalsContact C-N 3.31Å; I70-L72 PolarHBondContact O-N 2.85Å; L72-L75 PolarHBondContact O-N 3.47Å; L72-H76 WeakPolarHBondContact O-CB 3.42Å; L72-H76 PolarHBondContact O-N 2.96Å; L72-F109 HydrophobicContact CD2-CE1 3.83Å; L72-F109 HydrophobicContact CD2-CZ 4.04Å; L72-V119 HydrophobicContact CB-CG2 4.27Å; L72-V119 HydrophobicContact CD1-CG2 4.48Å; L72-F171 HydrophobicContact CD1-CE2 3.74Å; L72-F171 HydrophobicContact CD1-CZ 3.96Å; L72-L379 HydrophobicContact CB-CD2 4.46Å; L72-L379 HydrophobicContact CD2-CD2 3.84Å; L72-L379 HydrophobicContact CG-CD2 4.45Å; L72-Y388 HydrophobicContact CG-CE2 4.33Å; L72-A403 HydrophobicContact CD2-CB 4.34Å |
| 73 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -52 | 171.9 | 170 | 64.5 | 0 | 0 | 0 | 111.2 | L46 M49 G69 I70 A71 L75 H76 L77 A384 I387 Y388 | L46-L73 HydrophobicContact CD2-CD2 4.28Å; M49-L73 HydrophobicContact CE-CD2 3.88Å; M49-L73 HydrophobicContact SD-CD2 3.8Å; G69-L73 PolarHBondContact O-N 2.92Å; I70-L73 WeakPolarHBondContact O-CB 3.46Å; I70-L73 PolarHBondContact O-N 3.14Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-L73 PolarHBondContact O-N 3.02Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L73-L75 PolarHBondContact O-N 3.3Å; L73-H76 WeakPolarHBondContact O-CB 3.43Å; L73-H76 PolarHBondContact O-N 3.37Å; L73-H76 VanDerWaalsContact O-N 3.1Å; L73-L77 HydrophobicContact CD1-CD1 4.07Å; L73-L77 HydrophobicContact CD1-CD2 4.4Å; L73-L77 HydrophobicContact CD1-CG 3.98Å; L73-L77 HydrophobicContact CG-CD1 3.96Å; L73-L77 HydrophobicContact CG-CG 4.3Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 2.87Å; L73-A384 HydrophobicContact CD2-CB 3.7Å; L73-I387 HydrophobicContact CD1-CB 4.27Å; L73-I387 HydrophobicContact CD1-CG2 3.95Å; L73-I387 HydrophobicContact CD2-CB 4.3Å; L73-I387 HydrophobicContact CD2-CG2 4.26Å; L73-Y388 HydrophobicContact CB-CD2 4.43Å; L73-Y388 HydrophobicContact CD1-CD2 4Å; L73-Y388 HydrophobicContact CD1-CG 4.35Å |
| 74 | Y | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -35 | -178.2 | -84 | -70.1 | 0 | 0 | 0 | 113.3 | L46 M49 E50 I70 A71 H76 L77 H78 F86 R89 Y93 | L46-Y74 HydrophobicContact CD2-CE1 4.14Å; L46-Y74 WeakPolarHBondContact CD2-OH 3.11Å; M49-Y74 HydrophobicContact CE-CE2 3.94Å; E50-Y74 WeakPolarHBondContact CG-OH 3.45Å; E50-Y74 PolarHBondContact OE1-OH 3.04Å; I70-Y74 HydrophobicContact CG2-CD2 3.9Å; I70-Y74 HydrophobicContact CG2-CE2 3.81Å; I70-Y74 WeakPolarHBondContact O-CD2 2.97Å; I70-Y74 PolarHBondContact O-N 2.71Å; A71-Y74 PolarHBondContact O-N 3.24Å; Y74-H76 VanDerWaalsContact C-N 3.32Å; Y74-L77 HydrophobicContact CD1-CD1 3.99Å; Y74-L77 HydrophobicContact CE1-CD1 4.12Å; Y74-L77 PolarHBondContact O-N 3.03Å; Y74-H78 WeakPolarHBondContact O-CB 3.41Å; Y74-H78 PolarHBondContact O-N 3.04Å; Y74-F86 HydrophobicContact CD1-CB 4.3Å; Y74-F86 AromaticContact CD1-CD1 3.68Å; Y74-F86 HydrophobicContact CD1-CD1 3.68Å; Y74-F86 HydrophobicContact CD1-CG 4.39Å; Y74-F86 AromaticContact CE1-CD1 3.81Å; Y74-F86 HydrophobicContact CE1-CD1 3.81Å; Y74-F86 HydrophobicContact CE1-CE1 4.26Å; Y74-R89 HydrophobicContact CD1-CB 3.56Å; Y74-R89 HydrophobicContact CD1-CG 4.15Å; Y74-R89 HydrophobicContact CD2-CB 4.07Å; Y74-R89 HydrophobicContact CE1-CB 3.88Å; Y74-R89 HydrophobicContact CE1-CG 4.03Å; Y74-R89 HydrophobicContact CE2-CB 4.37Å; Y74-R89 HydrophobicContact CG-CB 3.68Å; Y74-Y93 AromaticContact CD2-CD2 3.7Å; Y74-Y93 HydrophobicContact CD2-CD2 3.7Å; Y74-Y93 AromaticContact CD2-CE2 3.6Å; Y74-Y93 HydrophobicContact CD2-CE2 3.6Å; Y74-Y93 HydrophobicContact CE2-CD2 4Å; Y74-Y93 AromaticContact CE2-CE2 3.4Å; Y74-Y93 HydrophobicContact CE2-CE2 3.4Å |
| 75 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 171.8 | 179.3 | 63.9 | 0 | 0 | 0 | 111.8 | A71 L72 L73 S79 L87 A90 V122 V123 R126 F171 | A71-L75 WeakPolarHBondContact O-CB 3.4Å; A71-L75 PolarHBondContact O-N 3.22Å; L72-L75 PolarHBondContact O-N 3.47Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L73-L75 PolarHBondContact O-N 3.3Å; L75-S79 PolarHBondContact O-N 3.13Å; L75-S79 VanDerWaalsContact O-N 3.13Å; L75-S79 PolarHBondContact O-OG 3.43Å; L75-L87 HydrophobicContact CD1-CD1 4.22Å; L75-A90 HydrophobicContact CB-CB 4.39Å; L75-V122 HydrophobicContact CD1-CG1 4.19Å; L75-V122 HydrophobicContact CD2-CB 4.07Å; L75-V122 HydrophobicContact CD2-CG1 3.69Å; L75-V123 HydrophobicContact CD1-CG2 4.26Å; L75-V123 HydrophobicContact CD2-CG2 4.44Å; L75-R126 HydrophobicContact CD1-CG 4.47Å; L75-F171 HydrophobicContact CD2-CZ 4.28Å |
| 76 | H | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 9% | 0.088 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67 | -46 | 174.3 | 175.3 | 70.6 | 0 | 0 | 0 | 112.1 | L72 L73 Y74 H78 S79 V80 Y388 D392 | L72-H76 WeakPolarHBondContact O-CB 3.42Å; L72-H76 PolarHBondContact O-N 2.96Å; L73-H76 WeakPolarHBondContact O-CB 3.43Å; L73-H76 PolarHBondContact O-N 3.37Å; L73-H76 VanDerWaalsContact O-N 3.1Å; Y74-H76 VanDerWaalsContact C-N 3.32Å; H76-H78 VanDerWaalsContact C-N 3.3Å; H76-H78 PolarHBondContact O-N 3.03Å; H76-S79 CarbonylContact O-C 3.44Å; H76-S79 WeakPolarHBondContact O-CA 3.35Å; H76-S79 VanDerWaalsContact O-CB 3.29Å; H76-S79 WeakPolarHBondContact O-CB 3.31Å; H76-S79 PolarHBondContact O-N 2.93Å; H76-V80 PolarHBondContact O-N 3.26Å; H76-Y388 HydrophobicContact CB-CD2 4.08Å; H76-Y388 HydrophobicContact CB-CE1 4.46Å; H76-Y388 HydrophobicContact CB-CE2 3.34Å; H76-Y388 AromaticContact CD2-CD1 3.98Å; H76-Y388 AromaticContact CD2-CE1 3.82Å; H76-Y388 AromaticContact CD2-CE2 3.94Å; H76-Y388 AromaticContact CD2-CZ 3.79Å; H76-Y388 AromaticContact CE1-CE1 3.94Å; H76-Y388 AromaticContact CG-CE1 3.77Å; H76-Y388 AromaticContact CG-CE2 3.54Å; H76-Y388 AromaticContact CG-CZ 3.31Å; H76-Y388 AromaticContact ND1-CE1 3.83Å; H76-Y388 AromaticContact ND1-CZ 3.57Å; H76-Y388 PolarHBondContact ND1-OH 3.01Å; H76-Y388 AromaticContact NE2-CE1 3.97Å; H76-D392 IonicContact CE1-OD1 2.78Å; H76-D392 PolarHBondContact CE1-OD1 3.31Å; H76-D392 IonicContact NE2-OD1 3.08Å |
| 77 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 175.6 | -68.3 | 172.9 | 0 | 0 | 0 | 111.7 | V42 L46 L73 Y74 S79 V80 F81 F86 I387 A391 | V42-L77 HydrophobicContact CG1-CD2 4.01Å; L46-L77 HydrophobicContact CD1-CD1 3.75Å; L46-L77 HydrophobicContact CD2-CD1 3.73Å; L46-L77 HydrophobicContact CG-CD1 4.31Å; L73-L77 HydrophobicContact CD1-CD1 4.07Å; L73-L77 HydrophobicContact CD1-CD2 4.4Å; L73-L77 HydrophobicContact CD1-CG 3.98Å; L73-L77 HydrophobicContact CG-CD1 3.96Å; L73-L77 HydrophobicContact CG-CG 4.3Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 2.87Å; Y74-L77 HydrophobicContact CD1-CD1 3.99Å; Y74-L77 HydrophobicContact CE1-CD1 4.12Å; Y74-L77 PolarHBondContact O-N 3.03Å; L77-S79 VanDerWaalsContact C-N 3.27Å; L77-S79 PolarHBondContact O-N 3.25Å; L77-V80 PolarHBondContact O-N 2.51Å; L77-F81 HydrophobicContact CB-CD2 4.34Å; L77-F81 HydrophobicContact CD2-CD2 4.01Å; L77-F81 HydrophobicContact CD2-CE2 3.66Å; L77-F81 WeakPolarHBondContact O-CB 3.47Å; L77-F81 WeakPolarHBondContact O-CD2 3.46Å; L77-F81 PolarHBondContact O-N 3.12Å; L77-F86 HydrophobicContact CB-CB 4.29Å; L77-F86 HydrophobicContact CB-CD1 4.24Å; L77-F86 HydrophobicContact CB-CD2 3.89Å; L77-F86 HydrophobicContact CB-CE2 4.27Å; L77-F86 HydrophobicContact CB-CG 3.89Å; L77-F86 HydrophobicContact CD1-CD1 4.34Å; L77-F86 HydrophobicContact CD1-CE1 4.31Å; L77-I387 HydrophobicContact CD2-CG2 4.37Å; L77-A391 HydrophobicContact CD2-CB 3.69Å |
| 78 | H | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 171.7 | 174.2 | 62.5 | 0 | 0 | 0 | 111.8 | Y74 H76 V80 K82 E83 F86 L87 | Y74-H78 WeakPolarHBondContact O-CB 3.41Å; Y74-H78 PolarHBondContact O-N 3.04Å; H76-H78 VanDerWaalsContact C-N 3.3Å; H76-H78 PolarHBondContact O-N 3.03Å; H78-V80 VanDerWaalsContact C-N 3.33Å; H78-V80 PolarHBondContact O-N 2.87Å; H78-K82 WeakPolarHBondContact O-CA 3.37Å; H78-K82 PolarHBondContact O-N 3.47Å; H78-E83 PolarHBondContact ND1-O 2.89Å; H78-F86 HydrophobicContact CB-CB 3.88Å; H78-L87 HydrophobicContact CB-CB 4.32Å |
| 79 | S | 97.4 | Very high | 98.4 | Very high | 33 Ų | 33 | 37 Ų | 37 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | L75 H76 L77 K82 | L75-S79 PolarHBondContact O-N 3.13Å; L75-S79 VanDerWaalsContact O-N 3.13Å; L75-S79 PolarHBondContact O-OG 3.43Å; H76-S79 CarbonylContact O-C 3.44Å; H76-S79 WeakPolarHBondContact O-CA 3.35Å; H76-S79 VanDerWaalsContact O-CB 3.29Å; H76-S79 WeakPolarHBondContact O-CB 3.31Å; H76-S79 PolarHBondContact O-N 2.93Å; L77-S79 VanDerWaalsContact C-N 3.27Å; L77-S79 PolarHBondContact O-N 3.25Å; S79-K82 WeakPolarHBondContact O-CE 3.24Å; S79-K82 PolarHBondContact O-NZ 3.41Å |
| 80 | V | 98 | Very high | 98.4 | Very high | 19 Ų | 19 | 37 Ų | 37 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83.1 | -54.9 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | H76 L77 H78 L394 | H76-V80 PolarHBondContact O-N 3.26Å; L77-V80 PolarHBondContact O-N 2.51Å; H78-V80 VanDerWaalsContact C-N 3.33Å; H78-V80 PolarHBondContact O-N 2.87Å; V80-L394 HydrophobicContact CG1-CB 4.42Å; V80-L394 HydrophobicContact CG1-CD1 3.92Å |
| 81 | F | 98.1 | Very high | 98.4 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 24% | 0.237 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -90 | -13.6 | -171.6 | -64.7 | -74.9 | 0 | 0 | 0 | 114.1 | V42 L77 E83 F86 A391 L394 | V42-F81 HydrophobicContact CG1-CE2 4.15Å; V42-F81 HydrophobicContact CG1-CZ 4.26Å; L77-F81 HydrophobicContact CB-CD2 4.34Å; L77-F81 HydrophobicContact CD2-CD2 4.01Å; L77-F81 HydrophobicContact CD2-CE2 3.66Å; L77-F81 WeakPolarHBondContact O-CB 3.47Å; L77-F81 WeakPolarHBondContact O-CD2 3.46Å; L77-F81 PolarHBondContact O-N 3.12Å; F81-E83 HydrophobicContact CB-CG 4.36Å; F81-E83 PolarHBondContact O-N 2.86Å; F81-F86 HydrophobicContact CB-CD2 4.17Å; F81-F86 HydrophobicContact CB-CE2 3.74Å; F81-F86 AromaticContact CD2-CE2 3.93Å; F81-F86 HydrophobicContact CD2-CE2 3.93Å; F81-F86 HydrophobicContact CG-CE2 4.06Å; F81-A391 HydrophobicContact CE2-CB 4.09Å; F81-L394 HydrophobicContact CE1-CD1 3.9Å; F81-L394 HydrophobicContact CZ-CD1 3.65Å |
| 82 | K | 97.6 | Very high | 98.4 | Very high | 150 Ų | 150 | 40.8 Ų | 40.8 | 65% | 0.652 | 21% | 0.212 | S | C | * | . | trans | 61.1 | 18.7 | 179.3 | -52.3 | -53.8 | -170.2 | -169.8 | 0 | 115.1 | H78 S79 | H78-K82 WeakPolarHBondContact O-CA 3.37Å; H78-K82 PolarHBondContact O-N 3.47Å; S79-K82 WeakPolarHBondContact O-CE 3.24Å; S79-K82 PolarHBondContact O-NZ 3.41Å | ||
| 83 | E | 97.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 41.2 Ų | 41.2 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | trans | -83.8 | 132.7 | 175.9 | -62.6 | -178.7 | -131.3 | 0 | 0 | 111.7 | H78 F81 S85 F86 | H78-E83 PolarHBondContact ND1-O 2.89Å; F81-E83 HydrophobicContact CB-CG 4.36Å; F81-E83 PolarHBondContact O-N 2.86Å; E83-S85 VanDerWaalsContact C-N 3.28Å; E83-S85 PolarHBondContact O-N 3.31Å; E83-F86 HydrophobicContact CB-CD2 3.78Å; E83-F86 HydrophobicContact CB-CE2 4.03Å; E83-F86 HydrophobicContact CG-CD2 4.45Å; E83-F86 HydrophobicContact CG-CE2 4.24Å; E83-F86 PolarHBondContact O-N 2.92Å | ||
| 84 | A | 97.8 | Very high | 98.3 | Very high | 77 Ų | 77 | 41.2 Ų | 41.2 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -68.3 | -28 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F86 L87 Q88 | A84-F86 VanDerWaalsContact C-N 3.29Å; A84-F86 PolarHBondContact O-N 2.97Å; A84-L87 PolarHBondContact O-N 3.32Å; A84-L87 VanDerWaalsContact O-N 3.15Å; A84-Q88 PolarHBondContact O-N 3.39Å; A84-Q88 VanDerWaalsContact O-N 3.08Å |
| 85 | S | 98.3 | Very high | 98.3 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 43% | 0.427 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.2 | -41.3 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | E83 Q88 R89 | E83-S85 VanDerWaalsContact C-N 3.28Å; E83-S85 PolarHBondContact O-N 3.31Å; S85-Q88 PolarHBondContact O-N 3.3Å; S85-R89 WeakPolarHBondContact O-CG 3.23Å; S85-R89 PolarHBondContact O-N 3.01Å |
| 86 | F | 98.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.2 | -66.2 | -42.4 | 0 | 0 | 0 | 112.5 | L46 Y74 L77 H78 F81 E83 A84 Q88 R89 A90 | L46-F86 HydrophobicContact CD1-CE1 4.24Å; Y74-F86 HydrophobicContact CD1-CB 4.3Å; Y74-F86 AromaticContact CD1-CD1 3.68Å; Y74-F86 HydrophobicContact CD1-CD1 3.68Å; Y74-F86 HydrophobicContact CD1-CG 4.39Å; Y74-F86 AromaticContact CE1-CD1 3.81Å; Y74-F86 HydrophobicContact CE1-CD1 3.81Å; Y74-F86 HydrophobicContact CE1-CE1 4.26Å; L77-F86 HydrophobicContact CB-CB 4.29Å; L77-F86 HydrophobicContact CB-CD1 4.24Å; L77-F86 HydrophobicContact CB-CD2 3.89Å; L77-F86 HydrophobicContact CB-CE2 4.27Å; L77-F86 HydrophobicContact CB-CG 3.89Å; L77-F86 HydrophobicContact CD1-CD1 4.34Å; L77-F86 HydrophobicContact CD1-CE1 4.31Å; H78-F86 HydrophobicContact CB-CB 3.88Å; F81-F86 HydrophobicContact CB-CD2 4.17Å; F81-F86 HydrophobicContact CB-CE2 3.74Å; F81-F86 AromaticContact CD2-CE2 3.93Å; F81-F86 HydrophobicContact CD2-CE2 3.93Å; F81-F86 HydrophobicContact CG-CE2 4.06Å; E83-F86 HydrophobicContact CB-CD2 3.78Å; E83-F86 HydrophobicContact CB-CE2 4.03Å; E83-F86 HydrophobicContact CG-CD2 4.45Å; E83-F86 HydrophobicContact CG-CE2 4.24Å; E83-F86 PolarHBondContact O-N 2.92Å; A84-F86 VanDerWaalsContact C-N 3.29Å; A84-F86 PolarHBondContact O-N 2.97Å; F86-Q88 VanDerWaalsContact C-N 3.31Å; F86-Q88 PolarHBondContact O-N 3.5Å; F86-R89 PolarHBondContact O-N 3.44Å; F86-A90 PolarHBondContact O-N 2.94Å |
| 87 | L | 98.5 | Very high | 98 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -37.4 | 176 | -175.8 | 59.5 | 0 | 0 | 0 | 111.5 | L75 H78 A84 A90 L91 V123 R126 L127 | L75-L87 HydrophobicContact CD1-CD1 4.22Å; H78-L87 HydrophobicContact CB-CB 4.32Å; A84-L87 PolarHBondContact O-N 3.32Å; A84-L87 VanDerWaalsContact O-N 3.15Å; L87-A90 WeakPolarHBondContact O-CB 3.19Å; L87-A90 PolarHBondContact O-N 2.85Å; L87-L91 PolarHBondContact O-N 3.07Å; L87-V123 HydrophobicContact CD1-CG1 4.37Å; L87-R126 HydrophobicContact CD1-CB 3.99Å; L87-R126 HydrophobicContact CD2-CB 3.94Å; L87-L127 HydrophobicContact CD2-CD2 3.67Å; L87-L127 HydrophobicContact CD2-CG 4Å; L87-L127 HydrophobicContact CG-CD2 3.88Å; L87-L127 HydrophobicContact CG-CG 4.08Å |
| 88 | Q | 98.5 | Very high | 97.9 | Very high | 93 Ų | 93 | 47.5 Ų | 47.5 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.7 | -42 | 174 | -174.2 | 58.4 | 51.3 | 0 | 0 | 111.9 | A84 S85 F86 A90 L91 D92 | A84-Q88 PolarHBondContact O-N 3.39Å; A84-Q88 VanDerWaalsContact O-N 3.08Å; S85-Q88 PolarHBondContact O-N 3.3Å; F86-Q88 VanDerWaalsContact C-N 3.31Å; F86-Q88 PolarHBondContact O-N 3.5Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 2.97Å; Q88-L91 WeakPolarHBondContact O-CB 3.26Å; Q88-L91 PolarHBondContact O-N 3.45Å; Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact O-N 3.36Å; Q88-D92 VanDerWaalsContact O-N 3.09Å |
| 89 | R | 98.5 | Very high | 97.8 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 173 | -67.4 | -60.2 | -65.7 | 155.6 | -9.9 | 111.8 | E50 Y74 S85 F86 L91 D92 Y93 | E50-R89 IonicContact OE1-CZ 3.22Å; E50-R89 VanDerWaalsContact OE1-CZ 3.22Å; E50-R89 IonicContact OE1-NE 2.93Å; E50-R89 PolarHBondContact OE1-NE 2.81Å; E50-R89 IonicContact OE1-NH2 3.56Å; E50-R89 PolarHBondContact OE1-NH2 3.2Å; E50-R89 IonicContact OE2-CZ 3.92Å; E50-R89 IonicContact OE2-NH2 2.79Å; E50-R89 PolarHBondContact OE2-NH2 3.32Å; Y74-R89 HydrophobicContact CD1-CB 3.56Å; Y74-R89 HydrophobicContact CD1-CG 4.15Å; Y74-R89 HydrophobicContact CD2-CB 4.07Å; Y74-R89 HydrophobicContact CE1-CB 3.88Å; Y74-R89 HydrophobicContact CE1-CG 4.03Å; Y74-R89 HydrophobicContact CE2-CB 4.37Å; Y74-R89 HydrophobicContact CG-CB 3.68Å; S85-R89 WeakPolarHBondContact O-CG 3.23Å; S85-R89 PolarHBondContact O-N 3.01Å; F86-R89 PolarHBondContact O-N 3.44Å; R89-L91 VanDerWaalsContact C-N 3.27Å; R89-L91 PolarHBondContact O-N 3.15Å; R89-D92 IonicContact CZ-OD2 3.94Å; R89-D92 IonicContact NH1-OD2 2.93Å; R89-D92 PolarHBondContact NH1-OD2 3.35Å; R89-D92 WeakPolarHBondContact O-CB 3.31Å; R89-D92 PolarHBondContact O-N 3.03Å; R89-D92 VanDerWaalsContact O-N 3.17Å; R89-Y93 PolarHBondContact NH2-OH 2.98Å; R89-Y93 WeakPolarHBondContact O-CD2 3.32Å; R89-Y93 PolarHBondContact O-N 3.36Å; R89-Y93 VanDerWaalsContact O-N 3.16Å |
| 90 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L75 F86 L87 Q88 Y93 V94 V123 | L75-A90 HydrophobicContact CB-CB 4.39Å; F86-A90 PolarHBondContact O-N 2.94Å; L87-A90 WeakPolarHBondContact O-CB 3.19Å; L87-A90 PolarHBondContact O-N 2.85Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 2.97Å; A90-Y93 PolarHBondContact O-N 2.88Å; A90-V94 WeakPolarHBondContact O-CB 2.95Å; A90-V94 WeakPolarHBondContact O-CG2 3.3Å; A90-V94 PolarHBondContact O-N 3.01Å; A90-V123 HydrophobicContact CB-CG2 3.88Å |
| 91 | L | 98.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.1 | 179.4 | 66.2 | 0 | 0 | 0 | 112.9 | L87 Q88 R89 Y93 V94 T95 V123 Y124 L127 | L87-L91 PolarHBondContact O-N 3.07Å; Q88-L91 WeakPolarHBondContact O-CB 3.26Å; Q88-L91 PolarHBondContact O-N 3.45Å; R89-L91 VanDerWaalsContact C-N 3.27Å; R89-L91 PolarHBondContact O-N 3.15Å; L91-Y93 VanDerWaalsContact C-N 3.32Å; L91-Y93 PolarHBondContact O-N 2.93Å; L91-V94 PolarHBondContact O-N 3.3Å; L91-T95 WeakPolarHBondContact O-CB 3.47Å; L91-T95 PolarHBondContact O-N 3.43Å; L91-T95 PolarHBondContact O-OG1 3.19Å; L91-V123 HydrophobicContact CB-CG1 3.95Å; L91-V123 HydrophobicContact CD1-CG1 4.14Å; L91-Y124 HydrophobicContact CD1-CD1 4.11Å; L91-Y124 HydrophobicContact CD1-CE1 3.59Å; L91-L127 HydrophobicContact CB-CD1 3.99Å; L91-L127 HydrophobicContact CD1-CD1 3.96Å; L91-L127 HydrophobicContact CD2-CD1 3.75Å; L91-L127 HydrophobicContact CG-CD1 4.1Å |
| 92 | D | 98.4 | Very high | 96.7 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 35% | 0.353 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 178.3 | -61.3 | -19.4 | 0 | 0 | 0 | 110.6 | Q88 R89 T95 R96 | Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact O-N 3.36Å; Q88-D92 VanDerWaalsContact O-N 3.09Å; R89-D92 IonicContact CZ-OD2 3.94Å; R89-D92 IonicContact NH1-OD2 2.93Å; R89-D92 PolarHBondContact NH1-OD2 3.35Å; R89-D92 WeakPolarHBondContact O-CB 3.31Å; R89-D92 PolarHBondContact O-N 3.03Å; R89-D92 VanDerWaalsContact O-N 3.17Å; D92-T95 PolarHBondContact O-N 3.23Å; D92-R96 PolarHBondContact O-N 3.45Å; D92-R96 VanDerWaalsContact O-N 3.1Å |
| 93 | Y | 98.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.1 | -37.1 | -179.4 | -71.1 | -62.6 | 0 | 0 | 0 | 113.6 | E50 L53 W67 I70 Y74 R89 A90 L91 T95 R96 S97 | E50-Y93 VanDerWaalsContact CD-OH 3.26Å; E50-Y93 PolarHBondContact OE1-OH 3.5Å; E50-Y93 PolarHBondContact OE2-OH 3.1Å; L53-Y93 HydrophobicContact CD1-CE1 4.3Å; L53-Y93 WeakPolarHBondContact CD1-OH 3.19Å; W67-Y93 AromaticContact CE3-CD1 3.59Å; W67-Y93 HydrophobicContact CE3-CD1 3.59Å; W67-Y93 AromaticContact CE3-CE1 3.73Å; W67-Y93 HydrophobicContact CE3-CE1 3.73Å; W67-Y93 HydrophobicContact CZ3-CD1 4.12Å; W67-Y93 AromaticContact CZ3-CE1 3.76Å; W67-Y93 HydrophobicContact CZ3-CE1 3.76Å; I70-Y93 HydrophobicContact CB-CD1 4.27Å; I70-Y93 HydrophobicContact CB-CD2 4.35Å; I70-Y93 HydrophobicContact CB-CE1 4.49Å; I70-Y93 HydrophobicContact CB-CG 4.17Å; I70-Y93 HydrophobicContact CG2-CD1 4.04Å; I70-Y93 HydrophobicContact CG2-CD2 3.61Å; I70-Y93 HydrophobicContact CG2-CE1 3.91Å; I70-Y93 HydrophobicContact CG2-CE2 3.5Å; I70-Y93 VanDerWaalsContact CG2-CE2 3.5Å; I70-Y93 HydrophobicContact CG2-CG 3.88Å; Y74-Y93 AromaticContact CD2-CD2 3.7Å; Y74-Y93 HydrophobicContact CD2-CD2 3.7Å; Y74-Y93 AromaticContact CD2-CE2 3.6Å; Y74-Y93 HydrophobicContact CD2-CE2 3.6Å; Y74-Y93 HydrophobicContact CE2-CD2 4Å; Y74-Y93 AromaticContact CE2-CE2 3.4Å; Y74-Y93 HydrophobicContact CE2-CE2 3.4Å; R89-Y93 PolarHBondContact NH2-OH 2.98Å; R89-Y93 WeakPolarHBondContact O-CD2 3.32Å; R89-Y93 PolarHBondContact O-N 3.36Å; R89-Y93 VanDerWaalsContact O-N 3.16Å; A90-Y93 PolarHBondContact O-N 2.88Å; L91-Y93 VanDerWaalsContact C-N 3.32Å; L91-Y93 PolarHBondContact O-N 2.93Å; Y93-T95 VanDerWaalsContact C-N 3.31Å; Y93-T95 PolarHBondContact O-N 3.46Å; Y93-R96 PolarHBondContact O-N 2.92Å; Y93-S97 PolarHBondContact O-N 3.48Å |
| 94 | V | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.4 | -49.8 | 169.3 | 160.4 | 0 | 0 | 0 | 0 | 109.9 | A71 A90 L91 R96 S97 L98 V119 A120 V123 Y124 | A71-V94 HydrophobicContact CB-CG2 3.76Å; A90-V94 WeakPolarHBondContact O-CB 2.95Å; A90-V94 WeakPolarHBondContact O-CG2 3.3Å; A90-V94 PolarHBondContact O-N 3.01Å; L91-V94 PolarHBondContact O-N 3.3Å; V94-R96 PolarHBondContact O-N 3.21Å; V94-S97 PolarHBondContact O-N 3.06Å; V94-S97 VanDerWaalsContact O-N 3.08Å; V94-S97 PolarHBondContact O-OG 3.45Å; V94-L98 HydrophobicContact CG1-CD1 3.79Å; V94-L98 HydrophobicContact CG1-CG 4.16Å; V94-L98 WeakPolarHBondContact O-CG 3.43Å; V94-L98 PolarHBondContact O-N 2.73Å; V94-V119 HydrophobicContact CG2-CG1 3.94Å; V94-A120 HydrophobicContact CG1-CB 3.35Å; V94-A120 HydrophobicContact CG2-CB 4.4Å; V94-V123 HydrophobicContact CG2-CB 4.17Å; V94-V123 HydrophobicContact CG2-CG2 3.88Å; V94-Y124 HydrophobicContact CG1-CE2 4.48Å |
| 95 | T | 97.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59 | -36.1 | -179 | -59 | 0 | 0 | 0 | 0 | 111.6 | L91 D92 Y93 K99 | L91-T95 WeakPolarHBondContact O-CB 3.47Å; L91-T95 PolarHBondContact O-N 3.43Å; L91-T95 PolarHBondContact O-OG1 3.19Å; D92-T95 PolarHBondContact O-N 3.23Å; Y93-T95 VanDerWaalsContact C-N 3.31Å; Y93-T95 PolarHBondContact O-N 3.46Å; T95-K99 WeakPolarHBondContact O-CG 3.41Å |
| 96 | R | 96.3 | Very high | 92 | Very high | 74 Ų | 74 | 67.3 Ų | 67.3 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69 | -48 | 173.6 | -170.2 | 173.4 | -178.3 | 176.1 | 1.1 | 112.2 | W67 D92 Y93 V94 L98 K99 H100 | W67-R96 HydrophobicContact CD2-CG 4.19Å; W67-R96 HydrophobicContact CG-CB 4.36Å; W67-R96 HydrophobicContact CG-CG 3.89Å; W67-R96 VanDerWaalsContact CZ3-NH1 3.31Å; D92-R96 PolarHBondContact O-N 3.45Å; D92-R96 VanDerWaalsContact O-N 3.1Å; Y93-R96 PolarHBondContact O-N 2.92Å; V94-R96 PolarHBondContact O-N 3.21Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 2.6Å; R96-K99 PolarHBondContact O-N 2.92Å; R96-H100 PolarHBondContact O-CD2 3.37Å |
| 97 | S | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -43 | -179.7 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | C61 Y93 V94 K99 H100 | C61-S97 VanDerWaalsContact CB-O 3.28Å; C61-S97 WeakPolarHBondContact CB-O 3.36Å; Y93-S97 PolarHBondContact O-N 3.48Å; V94-S97 PolarHBondContact O-N 3.06Å; V94-S97 VanDerWaalsContact O-N 3.08Å; V94-S97 PolarHBondContact O-OG 3.45Å; S97-K99 PolarHBondContact O-N 3.35Å; S97-H100 PolarHBondContact O-N 2.91Å; S97-H100 VanDerWaalsContact O-N 3.07Å |
| 98 | L | 97.1 | Very high | 91.5 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -21.3 | -177.4 | -67.9 | 179 | 0 | 0 | 0 | 113.8 | V94 R96 H100 L101 P116 L117 A120 Y124 | V94-L98 HydrophobicContact CG1-CD1 3.79Å; V94-L98 HydrophobicContact CG1-CG 4.16Å; V94-L98 WeakPolarHBondContact O-CG 3.43Å; V94-L98 PolarHBondContact O-N 2.73Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 2.6Å; L98-H100 PolarHBondContact O-N 3.22Å; L98-L101 HydrophobicContact CD2-CD1 4.14Å; L98-L101 HydrophobicContact CD2-CD2 4.43Å; L98-P116 HydrophobicContact CD2-CB 4.2Å; L98-L117 HydrophobicContact CD2-CD2 4.08Å; L98-A120 HydrophobicContact CD1-CB 3.84Å; L98-A120 HydrophobicContact CD2-CB 4.14Å; L98-A120 HydrophobicContact CG-CB 4.28Å; L98-Y124 HydrophobicContact CD1-CE2 4.18Å |
| 99 | K | 95.9 | Very high | 91.5 | Very high | 160 Ų | 160 | 61.2 Ų | 61.2 | 70% | 0.696 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -19.9 | 174.9 | -72.7 | 173.4 | -179.7 | -180 | 0 | 113.1 | T95 R96 S97 | T95-K99 WeakPolarHBondContact O-CG 3.41Å; R96-K99 PolarHBondContact O-N 2.92Å; S97-K99 PolarHBondContact O-N 3.35Å |
| 100 | H | 94.3 | Very high | 91.5 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 20.6 | -172.2 | -61.7 | -65.3 | 0 | 0 | 0 | 113 | P58 R59 C61 R96 S97 L98 T102 | P58-H100 PolarHBondContact O-CD2 3.04Å; P58-H100 PolarHBondContact O-NE2 3.31Å; R59-H100 WeakPolarHBondContact O-CB 3.38Å; C61-H100 HydrophobicContact CB-CB 4.09Å; C61-H100 PolarHBondContact SG-O 3.32Å; R96-H100 PolarHBondContact O-CD2 3.37Å; S97-H100 PolarHBondContact O-N 2.91Å; S97-H100 VanDerWaalsContact O-N 3.07Å; L98-H100 PolarHBondContact O-N 3.22Å; H100-T102 PolarHBondContact O-N 3.02Å |
| 101 | L | 92.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | trans | -53.7 | 128.2 | 169.4 | -65.5 | 179.4 | 0 | 0 | 0 | 109.7 | L98 R103 D113 P116 L117 | L98-L101 HydrophobicContact CD2-CD1 4.14Å; L98-L101 HydrophobicContact CD2-CD2 4.43Å; L101-R103 VanDerWaalsContact C-N 3.27Å; L101-R103 PolarHBondContact O-N 3.15Å; L101-D113 HydrophobicContact CD2-CB 4.16Å; L101-P116 HydrophobicContact CD2-CB 3.71Å; L101-P116 HydrophobicContact CD2-CG 3.93Å; L101-L117 HydrophobicContact CD1-CD2 4.23Å | ||
| 102 | T | 83.3 | Confident | 91.3 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | trans | -73.1 | -26.8 | -173.3 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | H100 R104 D113 | H100-T102 PolarHBondContact O-N 3.02Å; T102-R104 WeakPolarHBondContact O-CG 3.19Å; T102-R104 PolarHBondContact O-N 3.09Å; T102-R104 VanDerWaalsContact O-N 3.15Å; T102-R104 PolarHBondContact OG1-N 2.86Å; T102-D113 PolarHBondContact N-OD1 3.17Å; T102-D113 PolarHBondContact N-OD2 3.28Å; T102-D113 PolarHBondContact OG1-OD1 3.32Å | ||
| 103 | R | 76.3 | Confident | 91.3 | Very high | 212 Ų | 212 | 54.6 Ų | 54.6 | 80% | 0.8 | 25% | 0.246 | S | C | * | . | trans | 52.3 | 26.3 | -170.4 | -52.8 | -178.1 | -177.6 | -176.6 | -0.1 | 112.2 | L101 D113 | L101-R103 VanDerWaalsContact C-N 3.27Å; L101-R103 PolarHBondContact O-N 3.15Å; R103-D113 VanDerWaalsContact CA-OD2 3.3Å; R103-D113 WeakPolarHBondContact CA-OD2 3.48Å; R103-D113 PolarHBondContact N-OD2 2.96Å | ||
| 104 | R | 67.9 | Low | 91.2 | Very high | 187 Ų | 187 | 54 Ų | 54 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -103.3 | -167.4 | -178.8 | -73.3 | -175.1 | -179.9 | -171.5 | -0.8 | 110.7 | T102 D106 | T102-R104 WeakPolarHBondContact O-CG 3.19Å; T102-R104 PolarHBondContact O-N 3.09Å; T102-R104 VanDerWaalsContact O-N 3.15Å; T102-R104 PolarHBondContact OG1-N 2.86Å; R104-D106 PolarHBondContact O-N 3.01Å |
| 105 | H | 65.1 | Low | 91.3 | Very high | 168 Ų | 168 | 54 Ų | 54 | 78% | 0.778 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -70.2 | -7.9 | -175.7 | -60 | -69.6 | 0 | 0 | 0 | 115 | V107 | H105-V107 WeakPolarHBondContact O-CG1 3.46Å; H105-V107 PolarHBondContact O-N 3.08Å |
| 106 | D | 82.3 | Confident | 91.3 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | trans | -80.7 | 109.2 | -178.1 | -57.2 | -46.6 | 0 | 0 | 0 | 110.4 | R104 G112 D113 | R104-D106 PolarHBondContact O-N 3.01Å; D106-G112 CarbonylContact O-C 3.19Å; D106-G112 WeakPolarHBondContact O-CA 3.36Å; D106-D113 PolarHBondContact O-N 3.19Å | ||
| 107 | V | 91 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | trans | -111.6 | 5.5 | -167.7 | -63.3 | 0 | 0 | 0 | 0 | 114.4 | H105 T114 Y143 V147 L154 F165 | H105-V107 WeakPolarHBondContact O-CG1 3.46Å; H105-V107 PolarHBondContact O-N 3.08Å; V107-T114 WeakPolarHBondContact O-CB 3.14Å; V107-T114 WeakPolarHBondContact O-CG2 3.47Å; V107-T114 PolarHBondContact O-OG1 3.15Å; V107-Y143 HydrophobicContact CB-CD1 4.37Å; V107-Y143 HydrophobicContact CG1-CD1 3.5Å; V107-Y143 VanDerWaalsContact CG1-CD1 3.5Å; V107-Y143 HydrophobicContact CG1-CE1 4.14Å; V107-Y143 HydrophobicContact CG1-CG 4.23Å; V107-V147 HydrophobicContact CB-CG2 4.12Å; V107-V147 HydrophobicContact CG1-CG2 4.44Å; V107-V147 HydrophobicContact CG2-CG2 3.8Å; V107-L154 HydrophobicContact CG2-CD1 3.98Å; V107-L154 HydrophobicContact CG2-CD2 3.7Å; V107-L154 HydrophobicContact CG2-CG 4.5Å; V107-F165 HydrophobicContact CG2-CB 4.38Å; V107-F165 WeakPolarHBondContact O-CD2 3.24Å | ||
| 108 | T | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -94.3 | 162.4 | -169.7 | 64 | 0 | 0 | 0 | 0 | 113.4 | L110 C111 G112 T114 G115 L159 Y160 G161 | T108-L110 VanDerWaalsContact C-N 3.31Å; T108-L110 PolarHBondContact O-N 3.13Å; T108-C111 PolarHBondContact OG1-N 3.49Å; T108-C111 VanDerWaalsContact OG1-N 3.11Å; T108-G112 CarbonylContact O-C 3.43Å; T108-G112 VanDerWaalsContact O-CA 3.25Å; T108-G112 WeakPolarHBondContact O-CA 3.24Å; T108-G112 PolarHBondContact O-N 3.16Å; T108-G112 PolarHBondContact OG1-N 3.17Å; T108-T114 PolarHBondContact O-OG1 3.34Å; T108-G115 PolarHBondContact O-N 2.96Å; T108-L159 WeakPolarHBondContact CB-O 3.45Å; T108-L159 WeakPolarHBondContact CG2-O 3.42Å; T108-L159 PolarHBondContact OG1-O 3Å; T108-Y160 VanDerWaalsContact CG2-CA 3.42Å; T108-G161 VanDerWaalsContact CG2-O 3.31Å; T108-G161 WeakPolarHBondContact CG2-O 3.49Å |
| 109 | F | 98.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -43 | 172.4 | -167.9 | -87.5 | 0 | 0 | 0 | 112.1 | A63 L72 T114 G115 A118 V119 G164 S168 F171 A403 | A63-F109 HydrophobicContact CB-CD1 4.06Å; A63-F109 HydrophobicContact CB-CE1 3.94Å; A63-F109 WeakPolarHBondContact CB-O 3.37Å; L72-F109 HydrophobicContact CD2-CE1 3.83Å; L72-F109 HydrophobicContact CD2-CZ 4.04Å; F109-T114 PolarHBondContact N-OG1 3.43Å; F109-G115 WeakPolarHBondContact O-CA 3.29Å; F109-A118 HydrophobicContact CD2-CB 4.06Å; F109-A118 HydrophobicContact CE2-CB 3.81Å; F109-V119 HydrophobicContact CE2-CG2 4.16Å; F109-V119 HydrophobicContact CZ-CG2 3.7Å; F109-G164 PolarHBondContact N-O 3.43Å; F109-S168 VanDerWaalsContact CA-OG 3.28Å; F109-S168 WeakPolarHBondContact CA-OG 3.3Å; F109-S168 VanDerWaalsContact CB-OG 3.26Å; F109-S168 WeakPolarHBondContact CB-OG 3.46Å; F109-S168 PolarHBondContact N-OG 3.08Å; F109-S168 VanDerWaalsContact N-OG 3.17Å; F109-F171 HydrophobicContact CD2-CB 4.38Å; F109-F171 HydrophobicContact CD2-CG 4.47Å; F109-F171 HydrophobicContact CE2-CB 3.98Å; F109-F171 AromaticContact CE2-CD1 3.69Å; F109-F171 HydrophobicContact CE2-CD1 3.69Å; F109-F171 HydrophobicContact CE2-CD2 4.01Å; F109-F171 HydrophobicContact CE2-CE1 4.11Å; F109-F171 HydrophobicContact CE2-CE2 4.43Å; F109-F171 AromaticContact CE2-CG 3.61Å; F109-F171 HydrophobicContact CE2-CG 3.61Å; F109-F171 HydrophobicContact CE2-CZ 4.46Å; F109-F171 HydrophobicContact CZ-CD1 4.35Å; F109-F171 HydrophobicContact CZ-CD2 4.05Å; F109-F171 HydrophobicContact CZ-CE1 4.44Å; F109-F171 HydrophobicContact CZ-CE2 4.17Å; F109-F171 HydrophobicContact CZ-CG 4.12Å; F109-F171 HydrophobicContact CZ-CZ 4.35Å; F109-A403 HydrophobicContact CD1-CB 3.51Å; F109-A403 HydrophobicContact CE1-CB 3.45Å; F109-A403 VanDerWaalsContact CE1-CB 3.45Å |
| 110 | L | 98.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -46.2 | -170.5 | -73.8 | 172.2 | 0 | 0 | 0 | 112.7 | T62 A63 Y64 T108 L158 L159 W282 F380 A403 | T62-L110 WeakPolarHBondContact CB-O 3.49Å; A63-L110 HydrophobicContact CB-CD2 4.47Å; A63-L110 PolarHBondContact N-O 3.37Å; Y64-L110 WeakPolarHBondContact CB-O 3.39Å; Y64-L110 PolarHBondContact N-O 2.89Å; T108-L110 VanDerWaalsContact C-N 3.31Å; T108-L110 PolarHBondContact O-N 3.13Å; L110-L158 HydrophobicContact CD1-CD2 4.06Å; L110-L158 HydrophobicContact CD1-CG 4.18Å; L110-L159 HydrophobicContact CB-CD2 4.11Å; L110-L159 HydrophobicContact CD1-CD2 3.3Å; L110-L159 HydrophobicContact CG-CD2 4.32Å; L110-W282 HydrophobicContact CD1-CH2 4.25Å; L110-F380 HydrophobicContact CD1-CE1 4.2Å; L110-F380 HydrophobicContact CD1-CZ 4.07Å; L110-F380 HydrophobicContact CD2-CD2 3.87Å; L110-F380 HydrophobicContact CD2-CE1 4.1Å; L110-F380 HydrophobicContact CD2-CE2 3.2Å; L110-F380 HydrophobicContact CD2-CZ 3.34Å; L110-F380 HydrophobicContact CG-CZ 4.38Å; L110-A403 HydrophobicContact CD2-CB 3.63Å; L110-A403 HydrophobicContact CG-CB 4.33Å |
| 111 | C | 97.4 | Very high | 92 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 10% | 0.101 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | -3 | -170 | -58.8 | 0 | 0 | 0 | 0 | 114 | T108 L159 Y160 | T108-C111 PolarHBondContact OG1-N 3.49Å; T108-C111 VanDerWaalsContact OG1-N 3.11Å; C111-L159 WeakPolarHBondContact CB-O 3.32Å; C111-Y160 HydrophobicContact CB-CD1 3.88Å; C111-Y160 HydrophobicContact CB-CE1 3.42Å; C111-Y160 VanDerWaalsContact CB-CE1 3.42Å |
| 112 | G | 96 | Very high | 92.2 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -118.5 | -177.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D106 T108 T114 G115 P116 | D106-G112 CarbonylContact O-C 3.19Å; D106-G112 WeakPolarHBondContact O-CA 3.36Å; T108-G112 CarbonylContact O-C 3.43Å; T108-G112 VanDerWaalsContact O-CA 3.25Å; T108-G112 WeakPolarHBondContact O-CA 3.24Å; T108-G112 PolarHBondContact O-N 3.16Å; T108-G112 PolarHBondContact OG1-N 3.17Å; G112-T114 PolarHBondContact O-N 3.41Å; G112-G115 PolarHBondContact O-N 3.46Å; G112-P116 WeakPolarHBondContact O-CD 3.34Å |
| 113 | D | 97 | Very high | 93 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19 | -176.6 | -83 | 14.7 | 0 | 0 | 0 | 113.1 | L101 T102 R103 D106 P116 L117 Y143 | L101-D113 HydrophobicContact CD2-CB 4.16Å; T102-D113 PolarHBondContact N-OD1 3.17Å; T102-D113 PolarHBondContact N-OD2 3.28Å; T102-D113 PolarHBondContact OG1-OD1 3.32Å; R103-D113 VanDerWaalsContact CA-OD2 3.3Å; R103-D113 WeakPolarHBondContact CA-OD2 3.48Å; R103-D113 PolarHBondContact N-OD2 2.96Å; D106-D113 PolarHBondContact O-N 3.19Å; D113-P116 WeakPolarHBondContact O-CD 3.4Å; D113-L117 WeakPolarHBondContact O-CD1 3.47Å; D113-L117 VanDerWaalsContact O-CG 3.25Å; D113-L117 WeakPolarHBondContact O-CG 3.46Å; D113-L117 PolarHBondContact O-N 3.42Å; D113-Y143 HydrophobicContact CB-CE2 4.08Å; D113-Y143 WeakPolarHBondContact CB-OH 3.31Å; D113-Y143 PolarHBondContact OD2-OH 2.99Å |
| 114 | T | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -77.9 | -23.1 | -177.4 | 69.1 | 0 | 0 | 0 | 0 | 113 | V107 T108 F109 G112 A118 L140 Y143 F165 S168 | V107-T114 WeakPolarHBondContact O-CB 3.14Å; V107-T114 WeakPolarHBondContact O-CG2 3.47Å; V107-T114 PolarHBondContact O-OG1 3.15Å; T108-T114 PolarHBondContact O-OG1 3.34Å; F109-T114 PolarHBondContact N-OG1 3.43Å; G112-T114 PolarHBondContact O-N 3.41Å; T114-A118 WeakPolarHBondContact O-CB 3.46Å; T114-A118 PolarHBondContact O-N 3.2Å; T114-L140 HydrophobicContact CG2-CG 4.05Å; T114-L140 WeakPolarHBondContact O-CD1 3.34Å; T114-Y143 HydrophobicContact CG2-CD2 3.76Å; T114-Y143 HydrophobicContact CG2-CE2 4.36Å; T114-Y143 HydrophobicContact CG2-CG 4.05Å; T114-F165 HydrophobicContact CG2-CD2 3.85Å; T114-F165 HydrophobicContact CG2-CE2 3.93Å; T114-S168 PolarHBondContact OG1-OG 3.37Å |
| 115 | G | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -61.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T108 F109 G112 L117 A118 V119 | T108-G115 PolarHBondContact O-N 2.96Å; F109-G115 WeakPolarHBondContact O-CA 3.29Å; G112-G115 PolarHBondContact O-N 3.46Å; G115-L117 VanDerWaalsContact C-N 3.27Å; G115-L117 PolarHBondContact O-N 2.9Å; G115-A118 PolarHBondContact O-N 2.82Å; G115-A118 VanDerWaalsContact O-N 3.17Å; G115-V119 WeakPolarHBondContact O-CG2 3.16Å; G115-V119 PolarHBondContact O-N 3.01Å |
| 116 | P | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -52.5 | -43.4 | 175.3 | -27 | 33.1 | 0 | 0 | 0 | 113 | C61 A68 L98 L101 G112 D113 A120 | C61-P116 HydrophobicContact CB-CG 4.31Å; C61-P116 WeakPolarHBondContact O-CG 3.44Å; A68-P116 HydrophobicContact CB-CB 4.18Å; A68-P116 HydrophobicContact CB-CG 3.88Å; L98-P116 HydrophobicContact CD2-CB 4.2Å; L101-P116 HydrophobicContact CD2-CB 3.71Å; L101-P116 HydrophobicContact CD2-CG 3.93Å; G112-P116 WeakPolarHBondContact O-CD 3.34Å; D113-P116 WeakPolarHBondContact O-CD 3.4Å; P116-A120 WeakPolarHBondContact O-CB 3.48Å; P116-A120 PolarHBondContact O-N 3.49Å |
| 117 | L | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 178.6 | -69.9 | 169.3 | 0 | 0 | 0 | 112.2 | L98 L101 D113 G115 A120 A121 C136 R139 L140 Y143 | L98-L117 HydrophobicContact CD2-CD2 4.08Å; L101-L117 HydrophobicContact CD1-CD2 4.23Å; D113-L117 WeakPolarHBondContact O-CD1 3.47Å; D113-L117 VanDerWaalsContact O-CG 3.25Å; D113-L117 WeakPolarHBondContact O-CG 3.46Å; D113-L117 PolarHBondContact O-N 3.42Å; G115-L117 VanDerWaalsContact C-N 3.27Å; G115-L117 PolarHBondContact O-N 2.9Å; L117-A120 PolarHBondContact O-N 3.21Å; L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.05Å; L117-C136 HydrophobicContact CD2-CB 4.43Å; L117-C136 WeakPolarHBondContact O-CB 3.48Å; L117-R139 HydrophobicContact CD1-CB 4.15Å; L117-R139 HydrophobicContact CD2-CB 4.13Å; L117-L140 HydrophobicContact CB-CB 4.17Å; L117-L140 HydrophobicContact CB-CD1 4.21Å; L117-L140 HydrophobicContact CD1-CB 4.25Å; L117-Y143 HydrophobicContact CD1-CE2 4.15Å |
| 118 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F109 T114 G115 A120 A121 V122 L140 F171 L172 | F109-A118 HydrophobicContact CD2-CB 4.06Å; F109-A118 HydrophobicContact CE2-CB 3.81Å; T114-A118 WeakPolarHBondContact O-CB 3.46Å; T114-A118 PolarHBondContact O-N 3.2Å; G115-A118 PolarHBondContact O-N 2.82Å; G115-A118 VanDerWaalsContact O-N 3.17Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 3.03Å; A118-A121 PolarHBondContact O-N 3.22Å; A118-V122 PolarHBondContact O-N 3.36Å; A118-L140 HydrophobicContact CB-CD1 3.71Å; A118-F171 HydrophobicContact CB-CD1 3.86Å; A118-F171 HydrophobicContact CB-CE1 4.27Å; A118-L172 HydrophobicContact CB-CD2 4.29Å; A118-L172 HydrophobicContact CB-CG 4.43Å |
| 119 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 177 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | A71 L72 V94 F109 G115 A121 V122 V123 F171 | A71-V119 HydrophobicContact CB-CG1 3.82Å; L72-V119 HydrophobicContact CB-CG2 4.27Å; L72-V119 HydrophobicContact CD1-CG2 4.48Å; V94-V119 HydrophobicContact CG2-CG1 3.94Å; F109-V119 HydrophobicContact CE2-CG2 4.16Å; F109-V119 HydrophobicContact CZ-CG2 3.7Å; G115-V119 WeakPolarHBondContact O-CG2 3.16Å; G115-V119 PolarHBondContact O-N 3.01Å; V119-A121 PolarHBondContact O-N 3.1Å; V119-V122 PolarHBondContact O-N 3.13Å; V119-V123 HydrophobicContact CG1-CG2 4.41Å; V119-V123 WeakPolarHBondContact O-CG2 3.18Å; V119-V123 PolarHBondContact O-N 3.24Å; V119-F171 HydrophobicContact CG2-CE1 4.42Å; V119-F171 HydrophobicContact CG2-CZ 4.35Å |
| 120 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V94 L98 P116 L117 A118 V122 V123 Y124 C136 | V94-A120 HydrophobicContact CG1-CB 3.35Å; V94-A120 HydrophobicContact CG2-CB 4.4Å; L98-A120 HydrophobicContact CD1-CB 3.84Å; L98-A120 HydrophobicContact CD2-CB 4.14Å; L98-A120 HydrophobicContact CG-CB 4.28Å; P116-A120 WeakPolarHBondContact O-CB 3.48Å; P116-A120 PolarHBondContact O-N 3.49Å; L117-A120 PolarHBondContact O-N 3.21Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 3.03Å; A120-V122 VanDerWaalsContact C-N 3.26Å; A120-V122 PolarHBondContact O-N 2.88Å; A120-V123 PolarHBondContact O-N 3.48Å; A120-Y124 HydrophobicContact CB-CD2 4.23Å; A120-Y124 HydrophobicContact CB-CE2 4.01Å; A120-Y124 WeakPolarHBondContact O-CB 3.31Å; A120-Y124 WeakPolarHBondContact O-CD2 3Å; A120-Y124 PolarHBondContact O-N 3.25Å; A120-C136 HydrophobicContact CB-CB 4.5Å |
| 121 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.7 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | L117 A118 V119 S125 A133 C136 I137 L172 | L117-A121 WeakPolarHBondContact O-CB 3.46Å; L117-A121 PolarHBondContact O-N 3.05Å; A118-A121 PolarHBondContact O-N 3.22Å; V119-A121 PolarHBondContact O-N 3.1Å; A121-S125 VanDerWaalsContact O-CB 3.29Å; A121-S125 WeakPolarHBondContact O-CB 3.25Å; A121-S125 PolarHBondContact O-N 2.81Å; A121-A133 WeakPolarHBondContact O-CB 3.28Å; A121-C136 HydrophobicContact CB-CB 3.85Å; A121-I137 HydrophobicContact CB-CD1 3.83Å; A121-I137 HydrophobicContact CB-CG1 3.54Å; A121-L172 HydrophobicContact CB-CD2 3.86Å |
| 122 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.8 | -45.6 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | L75 A118 V119 A120 Y124 S125 R126 F171 L172 Q175 L176 | L75-V122 HydrophobicContact CD1-CG1 4.19Å; L75-V122 HydrophobicContact CD2-CB 4.07Å; L75-V122 HydrophobicContact CD2-CG1 3.69Å; A118-V122 PolarHBondContact O-N 3.36Å; V119-V122 PolarHBondContact O-N 3.13Å; A120-V122 VanDerWaalsContact C-N 3.26Å; A120-V122 PolarHBondContact O-N 2.88Å; V122-Y124 PolarHBondContact O-N 3.47Å; V122-S125 PolarHBondContact O-N 3.31Å; V122-R126 HydrophobicContact CG1-CG 4.29Å; V122-R126 VanDerWaalsContact O-CG 3.25Å; V122-R126 WeakPolarHBondContact O-CG 3.47Å; V122-R126 PolarHBondContact O-N 3.44Å; V122-F171 HydrophobicContact CB-CE1 4.34Å; V122-F171 HydrophobicContact CG2-CD1 4.26Å; V122-F171 HydrophobicContact CG2-CE1 3.51Å; V122-F171 HydrophobicContact CG2-CZ 4.12Å; V122-L172 HydrophobicContact CG2-CD2 4.48Å; V122-Q175 HydrophobicContact CB-CB 4.3Å; V122-Q175 HydrophobicContact CG1-CB 3.79Å; V122-Q175 HydrophobicContact CG1-CG 4.24Å; V122-Q175 HydrophobicContact CG2-CB 3.45Å; V122-Q175 VanDerWaalsContact CG2-CB 3.45Å; V122-Q175 HydrophobicContact CG2-CG 3.98Å; V122-L176 HydrophobicContact CG1-CD2 4.45Å; V122-L176 HydrophobicContact CG2-CD1 4.33Å; V122-L176 HydrophobicContact CG2-CD2 4.2Å; V122-L176 HydrophobicContact CG2-CG 4.09Å |
| 123 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L75 L87 A90 L91 V94 V119 A120 S125 R126 L127 | L75-V123 HydrophobicContact CD1-CG2 4.26Å; L75-V123 HydrophobicContact CD2-CG2 4.44Å; L87-V123 HydrophobicContact CD1-CG1 4.37Å; A90-V123 HydrophobicContact CB-CG2 3.88Å; L91-V123 HydrophobicContact CB-CG1 3.95Å; L91-V123 HydrophobicContact CD1-CG1 4.14Å; V94-V123 HydrophobicContact CG2-CB 4.17Å; V94-V123 HydrophobicContact CG2-CG2 3.88Å; V119-V123 HydrophobicContact CG1-CG2 4.41Å; V119-V123 WeakPolarHBondContact O-CG2 3.18Å; V119-V123 PolarHBondContact O-N 3.24Å; A120-V123 PolarHBondContact O-N 3.48Å; V123-S125 PolarHBondContact O-N 3.39Å; V123-R126 PolarHBondContact O-N 3Å; V123-L127 HydrophobicContact CG1-CD1 3.9Å; V123-L127 WeakPolarHBondContact O-CB 3.47Å; V123-L127 WeakPolarHBondContact O-CG 3.5Å; V123-L127 PolarHBondContact O-N 2.72Å; V123-L127 VanDerWaalsContact O-N 3.09Å |
| 124 | Y | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 9% | 0.09 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.4 | -70.9 | -46.6 | 0 | 0 | 0 | 112.1 | L91 V94 L98 A120 V122 R126 L127 Q128 R129 E132 | L91-Y124 HydrophobicContact CD1-CD1 4.11Å; L91-Y124 HydrophobicContact CD1-CE1 3.59Å; V94-Y124 HydrophobicContact CG1-CE2 4.48Å; L98-Y124 HydrophobicContact CD1-CE2 4.18Å; A120-Y124 HydrophobicContact CB-CD2 4.23Å; A120-Y124 HydrophobicContact CB-CE2 4.01Å; A120-Y124 WeakPolarHBondContact O-CB 3.31Å; A120-Y124 WeakPolarHBondContact O-CD2 3Å; A120-Y124 PolarHBondContact O-N 3.25Å; V122-Y124 PolarHBondContact O-N 3.47Å; Y124-R126 PolarHBondContact O-N 3.24Å; Y124-L127 CarbonylContact O-C 3.52Å; Y124-L127 PolarHBondContact O-N 2.91Å; Y124-L127 VanDerWaalsContact O-N 3.16Å; Y124-Q128 PolarHBondContact O-N 3.46Å; Y124-R129 HydrophobicContact CD1-CB 4.12Å; Y124-R129 VanDerWaalsContact CE1-CZ 3.5Å; Y124-R129 HydrophobicContact CG-CB 4.44Å; Y124-R129 WeakPolarHBondContact O-CB 3.45Å; Y124-R129 PolarHBondContact O-N 2.91Å; Y124-E132 HydrophobicContact CD1-CB 3.99Å; Y124-E132 HydrophobicContact CD2-CB 3.61Å; Y124-E132 HydrophobicContact CE1-CB 4.25Å; Y124-E132 HydrophobicContact CE2-CB 3.88Å; Y124-E132 HydrophobicContact CG-CB 3.69Å |
| 125 | S | 98.4 | Very high | 98.5 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 37% | 0.371 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.5 | -46 | 176.7 | 180 | 0 | 0 | 0 | 0 | 112.3 | A121 V122 V123 L127 Q128 L176 | A121-S125 VanDerWaalsContact O-CB 3.29Å; A121-S125 WeakPolarHBondContact O-CB 3.25Å; A121-S125 PolarHBondContact O-N 2.81Å; V122-S125 PolarHBondContact O-N 3.31Å; V123-S125 PolarHBondContact O-N 3.39Å; S125-L127 PolarHBondContact O-N 3.29Å; S125-Q128 PolarHBondContact O-N 2.97Å; S125-L176 WeakPolarHBondContact OG-CD2 3.37Å |
| 126 | R | 98.1 | Very high | 98.5 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 46% | 0.464 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -27.9 | 177.5 | -65.2 | -72 | -177.3 | -173 | -3.5 | 112.8 | L75 L87 V122 V123 Y124 Q128 Q175 | L75-R126 HydrophobicContact CD1-CG 4.47Å; L87-R126 HydrophobicContact CD1-CB 3.99Å; L87-R126 HydrophobicContact CD2-CB 3.94Å; V122-R126 HydrophobicContact CG1-CG 4.29Å; V122-R126 VanDerWaalsContact O-CG 3.25Å; V122-R126 WeakPolarHBondContact O-CG 3.47Å; V122-R126 PolarHBondContact O-N 3.44Å; V123-R126 PolarHBondContact O-N 3Å; Y124-R126 PolarHBondContact O-N 3.24Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; R126-Q175 PolarHBondContact NH2-O 3.33Å |
| 127 | L | 98.1 | Very high | 98.5 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 8.4 | 173.9 | -69.5 | 170.1 | 0 | 0 | 0 | 113.6 | L87 L91 V123 Y124 S125 R129 | L87-L127 HydrophobicContact CD2-CD2 3.67Å; L87-L127 HydrophobicContact CD2-CG 4Å; L87-L127 HydrophobicContact CG-CD2 3.88Å; L87-L127 HydrophobicContact CG-CG 4.08Å; L91-L127 HydrophobicContact CB-CD1 3.99Å; L91-L127 HydrophobicContact CD1-CD1 3.96Å; L91-L127 HydrophobicContact CD2-CD1 3.75Å; L91-L127 HydrophobicContact CG-CD1 4.1Å; V123-L127 HydrophobicContact CG1-CD1 3.9Å; V123-L127 WeakPolarHBondContact O-CB 3.47Å; V123-L127 WeakPolarHBondContact O-CG 3.5Å; V123-L127 PolarHBondContact O-N 2.72Å; V123-L127 VanDerWaalsContact O-N 3.09Å; Y124-L127 CarbonylContact O-C 3.52Å; Y124-L127 PolarHBondContact O-N 2.91Å; Y124-L127 VanDerWaalsContact O-N 3.16Å; S125-L127 PolarHBondContact O-N 3.29Å; L127-R129 HydrophobicContact CB-CG 4.33Å; L127-R129 PolarHBondContact O-N 3.02Å |
| 128 | Q | 98 | Very high | 98.4 | Very high | 181 Ų | 181 | 48.3 Ų | 48.3 | 85% | 0.846 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 26.9 | -178.3 | -53.2 | 179.3 | 0.4 | 0 | 0 | 113.8 | Y124 S125 R126 A130 | Y124-Q128 PolarHBondContact O-N 3.46Å; S125-Q128 PolarHBondContact O-N 2.97Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; Q128-A130 PolarHBondContact O-N 3.19Å |
| 129 | R | 98.3 | Very high | 98.3 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 33% | 0.328 | 26% | 0.256 | S | S | . | . | trans | -95 | 67.1 | 176.1 | -71.8 | 176.1 | 69.3 | 174 | 5 | 110.2 | Y124 L127 Q131 E132 A133 | Y124-R129 HydrophobicContact CD1-CB 4.12Å; Y124-R129 VanDerWaalsContact CE1-CZ 3.5Å; Y124-R129 HydrophobicContact CG-CB 4.44Å; Y124-R129 WeakPolarHBondContact O-CB 3.45Å; Y124-R129 PolarHBondContact O-N 2.91Å; L127-R129 HydrophobicContact CB-CG 4.33Å; L127-R129 PolarHBondContact O-N 3.02Å; R129-Q131 VanDerWaalsContact C-N 3.35Å; R129-Q131 PolarHBondContact O-N 3.41Å; R129-E132 WeakPolarHBondContact CB-OE2 3.44Å; R129-E132 IonicContact CZ-OE1 2.73Å; R129-E132 IonicContact NE-OE1 2.79Å; R129-E132 PolarHBondContact NE-OE1 3.1Å; R129-E132 IonicContact NE-OE2 3.9Å; R129-E132 IonicContact NH2-OE1 2.89Å; R129-E132 PolarHBondContact NH2-OE1 3.06Å; R129-E132 PolarHBondContact O-N 3.24Å; R129-A133 PolarHBondContact O-N 3.03Å; R129-A133 VanDerWaalsContact O-N 3.09Å | ||
| 130 | A | 97.5 | Very high | 98.2 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q128 E132 A133 E134 | Q128-A130 PolarHBondContact O-N 3.19Å; A130-E132 PolarHBondContact O-N 3.19Å; A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.3Å; A130-E134 WeakPolarHBondContact O-CG 3.13Å; A130-E134 PolarHBondContact O-N 2.98Å |
| 131 | Q | 98.4 | Very high | 98.1 | Very high | 149 Ų | 149 | 54 Ų | 54 | 70% | 0.696 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | -177.7 | -172.8 | 60.8 | 45.5 | 0 | 0 | 112.5 | R129 A133 E134 D135 | R129-Q131 VanDerWaalsContact C-N 3.35Å; R129-Q131 PolarHBondContact O-N 3.41Å; Q131-A133 VanDerWaalsContact C-N 3.34Å; Q131-E134 PolarHBondContact O-N 3.01Å; Q131-D135 PolarHBondContact O-N 3.25Å |
| 132 | E | 98.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 62.9 Ų | 62.9 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.7 | -32.9 | 176.6 | -63.8 | 105.7 | 128.5 | 0 | 0 | 112.7 | Y124 R129 A130 D135 C136 | Y124-E132 HydrophobicContact CD1-CB 3.99Å; Y124-E132 HydrophobicContact CD2-CB 3.61Å; Y124-E132 HydrophobicContact CE1-CB 4.25Å; Y124-E132 HydrophobicContact CE2-CB 3.88Å; Y124-E132 HydrophobicContact CG-CB 3.69Å; R129-E132 WeakPolarHBondContact CB-OE2 3.44Å; R129-E132 IonicContact CZ-OE1 2.73Å; R129-E132 IonicContact NE-OE1 2.79Å; R129-E132 PolarHBondContact NE-OE1 3.1Å; R129-E132 IonicContact NE-OE2 3.9Å; R129-E132 IonicContact NH2-OE1 2.89Å; R129-E132 PolarHBondContact NH2-OE1 3.06Å; R129-E132 PolarHBondContact O-N 3.24Å; A130-E132 PolarHBondContact O-N 3.19Å; E132-D135 PolarHBondContact O-N 3.1Å; E132-C136 PolarHBondContact O-N 3.37Å; E132-C136 VanDerWaalsContact O-N 3.09Å; E132-C136 PolarHBondContact O-SG 3.43Å |
| 133 | A | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A121 R129 A130 Q131 D135 C136 I137 | A121-A133 WeakPolarHBondContact O-CB 3.28Å; R129-A133 PolarHBondContact O-N 3.03Å; R129-A133 VanDerWaalsContact O-N 3.09Å; A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.3Å; Q131-A133 VanDerWaalsContact C-N 3.34Å; A133-D135 PolarHBondContact O-N 3.11Å; A133-C136 PolarHBondContact O-N 3.2Å; A133-I137 WeakPolarHBondContact O-CG1 3.26Å; A133-I137 PolarHBondContact O-N 3.11Å; A133-I137 VanDerWaalsContact O-N 3.1Å |
| 134 | E | 98.4 | Very high | 97.5 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 176 | -67.8 | -52.9 | 139.8 | 0 | 0 | 112.7 | A130 Q131 I137 S138 R180 | A130-E134 WeakPolarHBondContact O-CG 3.13Å; A130-E134 PolarHBondContact O-N 2.98Å; Q131-E134 PolarHBondContact O-N 3.01Å; E134-I137 PolarHBondContact O-N 3.27Å; E134-S138 VanDerWaalsContact O-CB 3.27Å; E134-S138 WeakPolarHBondContact O-CB 3.04Å; E134-S138 PolarHBondContact O-N 2.86Å; E134-S138 PolarHBondContact O-OG 2.97Å; E134-R180 IonicContact OE1-CZ 2.67Å; E134-R180 IonicContact OE1-NH1 3.55Å; E134-R180 PolarHBondContact OE1-NH1 3.02Å; E134-R180 IonicContact OE1-NH2 3.67Å; E134-R180 PolarHBondContact OE1-NH2 3.46Å; E134-R180 IonicContact OE2-CZ 3.56Å; E134-R180 IonicContact OE2-NH1 3.83Å; E134-R180 IonicContact OE2-NH2 3.43Å; E134-R180 PolarHBondContact OE2-NH2 2.9Å |
| 135 | D | 98.4 | Very high | 97.2 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 176 | 178.7 | 66 | 0 | 0 | 0 | 111.4 | Q131 E132 A133 I137 S138 R139 | Q131-D135 PolarHBondContact O-N 3.25Å; E132-D135 PolarHBondContact O-N 3.1Å; A133-D135 PolarHBondContact O-N 3.11Å; D135-I137 VanDerWaalsContact C-N 3.34Å; D135-I137 PolarHBondContact O-N 2.95Å; D135-S138 PolarHBondContact O-N 2.87Å; D135-R139 WeakPolarHBondContact O-CB 3.48Å; D135-R139 WeakPolarHBondContact O-CD 3.24Å; D135-R139 VanDerWaalsContact O-CG 3.25Å; D135-R139 WeakPolarHBondContact O-CG 3.43Å; D135-R139 PolarHBondContact O-N 3.47Å; D135-R139 WeakPolarHBondContact OD2-CD 2.97Å; D135-R139 IonicContact OD2-CZ 3.6Å; D135-R139 IonicContact OD2-NE 2.79Å; D135-R139 IonicContact OD2-NH1 2.73Å; D135-R139 PolarHBondContact OD2-NH1 3.21Å |
| 136 | C | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 179.4 | -69 | 0 | 0 | 0 | 0 | 111.7 | L117 A120 A121 E132 A133 R139 L140 | L117-C136 HydrophobicContact CD2-CB 4.43Å; L117-C136 WeakPolarHBondContact O-CB 3.48Å; A120-C136 HydrophobicContact CB-CB 4.5Å; A121-C136 HydrophobicContact CB-CB 3.85Å; E132-C136 PolarHBondContact O-N 3.37Å; E132-C136 VanDerWaalsContact O-N 3.09Å; E132-C136 PolarHBondContact O-SG 3.43Å; A133-C136 PolarHBondContact O-N 3.2Å; C136-R139 PolarHBondContact O-N 3.15Å; C136-L140 WeakPolarHBondContact O-CB 3.48Å; C136-L140 PolarHBondContact O-N 2.95Å |
| 137 | I | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 179.9 | -68.4 | 169.6 | 0 | 0 | 0 | 110.5 | A121 A133 E134 D135 R139 L140 L141 L172 L176 R180 | A121-I137 HydrophobicContact CB-CD1 3.83Å; A121-I137 HydrophobicContact CB-CG1 3.54Å; A133-I137 WeakPolarHBondContact O-CG1 3.26Å; A133-I137 PolarHBondContact O-N 3.11Å; A133-I137 VanDerWaalsContact O-N 3.1Å; E134-I137 PolarHBondContact O-N 3.27Å; D135-I137 VanDerWaalsContact C-N 3.34Å; D135-I137 PolarHBondContact O-N 2.95Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.11Å; I137-L140 WeakPolarHBondContact O-CB 3.41Å; I137-L140 PolarHBondContact O-N 3.5Å; I137-L141 HydrophobicContact CG2-CD1 4.06Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 3.23Å; I137-L172 HydrophobicContact CD1-CD2 4.16Å; I137-L172 HydrophobicContact CG1-CD1 4.01Å; I137-L172 HydrophobicContact CG1-CD2 3.98Å; I137-L172 HydrophobicContact CG2-CD1 4.32Å; I137-L176 HydrophobicContact CD1-CD1 3.65Å; I137-R180 HydrophobicContact CD1-CG 4.43Å; I137-R180 VanDerWaalsContact CD1-NE 3.33Å |
| 138 | S | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 67.1 Ų | 67.1 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.5 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | E134 D135 R142 | E134-S138 VanDerWaalsContact O-CB 3.27Å; E134-S138 WeakPolarHBondContact O-CB 3.04Å; E134-S138 PolarHBondContact O-N 2.86Å; E134-S138 PolarHBondContact O-OG 2.97Å; D135-S138 PolarHBondContact O-N 2.87Å; S138-R142 WeakPolarHBondContact O-CG 3.36Å; S138-R142 PolarHBondContact O-N 3.33Å |
| 139 | R | 96.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 176.8 | -73.2 | 163.7 | 60.4 | -168 | -2.6 | 112.4 | L117 D135 C136 I137 R142 | L117-R139 HydrophobicContact CD1-CB 4.15Å; L117-R139 HydrophobicContact CD2-CB 4.13Å; D135-R139 WeakPolarHBondContact O-CB 3.48Å; D135-R139 WeakPolarHBondContact O-CD 3.24Å; D135-R139 VanDerWaalsContact O-CG 3.25Å; D135-R139 WeakPolarHBondContact O-CG 3.43Å; D135-R139 PolarHBondContact O-N 3.47Å; D135-R139 WeakPolarHBondContact OD2-CD 2.97Å; D135-R139 IonicContact OD2-CZ 3.6Å; D135-R139 IonicContact OD2-NE 2.79Å; D135-R139 IonicContact OD2-NH1 2.73Å; D135-R139 PolarHBondContact OD2-NH1 3.21Å; C136-R139 PolarHBondContact O-N 3.15Å; I137-R139 VanDerWaalsContact C-N 3.31Å; I137-R139 PolarHBondContact O-N 3.11Å; R139-R142 PolarHBondContact O-N 3.01Å |
| 140 | L | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 175.7 | -175.2 | 154.2 | 0 | 0 | 0 | 111 | T114 L117 A118 C136 I137 R142 Y143 F165 L169 L172 | T114-L140 HydrophobicContact CG2-CG 4.05Å; T114-L140 WeakPolarHBondContact O-CD1 3.34Å; L117-L140 HydrophobicContact CB-CB 4.17Å; L117-L140 HydrophobicContact CB-CD1 4.21Å; L117-L140 HydrophobicContact CD1-CB 4.25Å; A118-L140 HydrophobicContact CB-CD1 3.71Å; C136-L140 WeakPolarHBondContact O-CB 3.48Å; C136-L140 PolarHBondContact O-N 2.95Å; I137-L140 WeakPolarHBondContact O-CB 3.41Å; I137-L140 PolarHBondContact O-N 3.5Å; L140-R142 PolarHBondContact O-N 2.87Å; L140-Y143 WeakPolarHBondContact O-CB 3.46Å; L140-Y143 PolarHBondContact O-N 3.34Å; L140-F165 HydrophobicContact CD2-CE2 4.07Å; L140-F165 HydrophobicContact CD2-CZ 4.39Å; L140-L169 HydrophobicContact CD2-CD2 3.54Å; L140-L172 HydrophobicContact CD1-CD1 4.12Å; L140-L172 HydrophobicContact CD2-CD1 4.31Å |
| 141 | L | 96.6 | Very high | 94.2 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -24.4 | -178.4 | -68.2 | 176.2 | 0 | 0 | 0 | 113.2 | I137 Y143 Q144 L169 V181 | I137-L141 HydrophobicContact CG2-CD1 4.06Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 3.23Å; L141-Y143 PolarHBondContact O-N 3.07Å; L141-Q144 WeakPolarHBondContact O-CB 3.33Å; L141-Q144 PolarHBondContact O-N 3.27Å; L141-L169 HydrophobicContact CD2-CD2 3.72Å; L141-V181 HydrophobicContact CD2-CG1 4.19Å; L141-V181 HydrophobicContact CD2-CG2 4.49Å |
| 142 | R | 94.4 | Very high | 92.9 | Very high | 185 Ų | 185 | 64 Ų | 64 | 70% | 0.698 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.8 | 173.1 | -71.3 | 173.1 | -167.3 | 176.9 | 4.6 | 113.2 | S138 R139 L140 Q144 | S138-R142 WeakPolarHBondContact O-CG 3.36Å; S138-R142 PolarHBondContact O-N 3.33Å; R139-R142 PolarHBondContact O-N 3.01Å; L140-R142 PolarHBondContact O-N 2.87Å; R142-Q144 PolarHBondContact O-N 3.03Å |
| 143 | Y | 94.5 | Very high | 92.2 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.7 | 176 | -75.8 | -79.3 | 0 | 0 | 0 | 113.1 | V107 D113 T114 L117 L140 L141 Q145 A146 V147 | V107-Y143 HydrophobicContact CB-CD1 4.37Å; V107-Y143 HydrophobicContact CG1-CD1 3.5Å; V107-Y143 VanDerWaalsContact CG1-CD1 3.5Å; V107-Y143 HydrophobicContact CG1-CE1 4.14Å; V107-Y143 HydrophobicContact CG1-CG 4.23Å; D113-Y143 HydrophobicContact CB-CE2 4.08Å; D113-Y143 WeakPolarHBondContact CB-OH 3.31Å; D113-Y143 PolarHBondContact OD2-OH 2.99Å; T114-Y143 HydrophobicContact CG2-CD2 3.76Å; T114-Y143 HydrophobicContact CG2-CE2 4.36Å; T114-Y143 HydrophobicContact CG2-CG 4.05Å; L117-Y143 HydrophobicContact CD1-CE2 4.15Å; L140-Y143 WeakPolarHBondContact O-CB 3.46Å; L140-Y143 PolarHBondContact O-N 3.34Å; L141-Y143 PolarHBondContact O-N 3.07Å; Y143-Q145 PolarHBondContact O-N 3.14Å; Y143-A146 PolarHBondContact O-N 3.49Å; Y143-V147 WeakPolarHBondContact O-CG2 3.17Å; Y143-V147 PolarHBondContact O-N 3.17Å |
| 144 | Q | 94.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 9% | 0.093 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.8 | -37.8 | -178.5 | -171.5 | 172.8 | -18 | 0 | 0 | 112 | L141 R142 A146 V147 L148 F165 C185 | L141-Q144 WeakPolarHBondContact O-CB 3.33Å; L141-Q144 PolarHBondContact O-N 3.27Å; R142-Q144 PolarHBondContact O-N 3.03Å; Q144-A146 VanDerWaalsContact C-N 3.31Å; Q144-A146 PolarHBondContact O-N 3.11Å; Q144-V147 PolarHBondContact O-N 3Å; Q144-L148 HydrophobicContact CG-CD1 3.87Å; Q144-L148 HydrophobicContact CG-CG 4.19Å; Q144-L148 WeakPolarHBondContact O-CB 3.16Å; Q144-L148 VanDerWaalsContact O-CG 3.26Å; Q144-L148 WeakPolarHBondContact O-CG 3.46Å; Q144-L148 PolarHBondContact O-N 3.44Å; Q144-F165 HydrophobicContact CB-CE1 4.07Å; Q144-F165 HydrophobicContact CB-CZ 3.92Å; Q144-F165 HydrophobicContact CG-CE1 4.23Å; Q144-C185 PolarHBondContact OE1-SG 3.34Å |
| 145 | Q | 92.3 | Very high | 91.8 | Very high | 167 Ų | 167 | 63.3 Ų | 63.3 | 78% | 0.78 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.9 | -40.4 | 177.3 | -172.8 | 179.8 | 7.9 | 0 | 0 | 112.2 | Y143 N149 | Y143-Q145 PolarHBondContact O-N 3.14Å; Q145-N149 PolarHBondContact O-N 2.63Å |
| 146 | A | 91.8 | Very high | 91.8 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.5 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y143 Q144 L148 N149 | Y143-A146 PolarHBondContact O-N 3.49Å; Q144-A146 VanDerWaalsContact C-N 3.31Å; Q144-A146 PolarHBondContact O-N 3.11Å; A146-L148 VanDerWaalsContact C-N 3.34Å; A146-L148 PolarHBondContact O-N 3.33Å; A146-N149 WeakPolarHBondContact O-CB 3.3Å; A146-N149 PolarHBondContact O-N 2.76Å |
| 147 | V | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | V107 Y143 Q144 N149 L154 R162 F165 V189 | V107-V147 HydrophobicContact CB-CG2 4.12Å; V107-V147 HydrophobicContact CG1-CG2 4.44Å; V107-V147 HydrophobicContact CG2-CG2 3.8Å; Y143-V147 WeakPolarHBondContact O-CG2 3.17Å; Y143-V147 PolarHBondContact O-N 3.17Å; Q144-V147 PolarHBondContact O-N 3Å; V147-N149 VanDerWaalsContact C-N 3.3Å; V147-L154 HydrophobicContact CB-CD2 4.47Å; V147-L154 HydrophobicContact CG1-CD2 4.4Å; V147-L154 HydrophobicContact CG2-CD2 4.26Å; V147-R162 HydrophobicContact CG1-CB 4.26Å; V147-R162 HydrophobicContact CG1-CG 3.95Å; V147-R162 PolarHBondContact O-NE 3.46Å; V147-F165 HydrophobicContact CB-CD1 4.13Å; V147-F165 HydrophobicContact CB-CE1 4.46Å; V147-F165 HydrophobicContact CB-CG 4.44Å; V147-F165 HydrophobicContact CG1-CB 4.33Å; V147-F165 HydrophobicContact CG1-CD1 3.79Å; V147-F165 HydrophobicContact CG1-CE1 4.44Å; V147-F165 HydrophobicContact CG1-CG 4.24Å; V147-F165 HydrophobicContact CG2-CB 3.93Å; V147-F165 HydrophobicContact CG2-CD1 3.74Å; V147-F165 HydrophobicContact CG2-CD2 3.94Å; V147-F165 HydrophobicContact CG2-CE1 4.19Å; V147-F165 HydrophobicContact CG2-CE2 4.39Å; V147-F165 HydrophobicContact CG2-CG 3.58Å; V147-F165 HydrophobicContact CG2-CZ 4.5Å; V147-V189 HydrophobicContact CG1-CG1 4.15Å; V147-V189 HydrophobicContact CG1-CG2 4.31Å |
| 148 | L | 94.8 | Very high | 91.8 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -79.4 | -11.1 | 179 | -62.6 | 179 | 0 | 0 | 0 | 113.3 | Q144 A146 R150 Q188 V189 A192 | Q144-L148 HydrophobicContact CG-CD1 3.87Å; Q144-L148 HydrophobicContact CG-CG 4.19Å; Q144-L148 WeakPolarHBondContact O-CB 3.16Å; Q144-L148 VanDerWaalsContact O-CG 3.26Å; Q144-L148 WeakPolarHBondContact O-CG 3.46Å; Q144-L148 PolarHBondContact O-N 3.44Å; A146-L148 VanDerWaalsContact C-N 3.34Å; A146-L148 PolarHBondContact O-N 3.33Å; L148-R150 PolarHBondContact O-N 3.17Å; L148-R150 VanDerWaalsContact O-N 3.12Å; L148-Q188 HydrophobicContact CD1-CB 4.15Å; L148-Q188 HydrophobicContact CD2-CB 4.17Å; L148-Q188 VanDerWaalsContact CD2-O 3.31Å; L148-Q188 WeakPolarHBondContact CD2-O 3.38Å; L148-V189 HydrophobicContact CD2-CG2 4.22Å; L148-A192 HydrophobicContact CD2-CB 4.01Å |
| 149 | N | 89.8 | Confident | 91.8 | Very high | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | trans | -69.5 | 110.1 | 179.2 | -175.4 | 1.3 | 0 | 0 | 0 | 110.9 | Q145 A146 V147 S151 G152 | Q145-N149 PolarHBondContact O-N 2.63Å; A146-N149 WeakPolarHBondContact O-CB 3.3Å; A146-N149 PolarHBondContact O-N 2.76Å; V147-N149 VanDerWaalsContact C-N 3.3Å; N149-S151 VanDerWaalsContact C-N 3.25Å; N149-S151 PolarHBondContact O-N 3.37Å; N149-S151 PolarHBondContact OD1-N 3.03Å; N149-G152 PolarHBondContact O-N 3.22Å; N149-G152 VanDerWaalsContact O-N 3.12Å | ||
| 150 | R | 76.9 | Confident | 91.8 | Very high | 176 Ų | 176 | 58.7 Ų | 58.7 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -65.3 | -27 | -179.6 | -64 | -177.5 | 179.5 | -177.6 | -1.8 | 113.4 | L148 G152 | L148-R150 PolarHBondContact O-N 3.17Å; L148-R150 VanDerWaalsContact O-N 3.12Å; R150-G152 VanDerWaalsContact C-N 3.3Å |
| 151 | S | 77.3 | Confident | 91.9 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -85.4 | -3.9 | 178.1 | -53.4 | 0 | 0 | 0 | 0 | 113 | N149 G153 | N149-S151 VanDerWaalsContact C-N 3.25Å; N149-S151 PolarHBondContact O-N 3.37Å; N149-S151 PolarHBondContact OD1-N 3.03Å; S151-G153 VanDerWaalsContact C-N 3.32Å; S151-G153 PolarHBondContact O-N 2.93Å |
| 152 | G | 72.3 | Confident | 91.9 | Very high | 47 Ų | 47 | 57 Ų | 57 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -79.3 | -5.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N149 R150 L154 | N149-G152 PolarHBondContact O-N 3.22Å; N149-G152 VanDerWaalsContact O-N 3.12Å; R150-G152 VanDerWaalsContact C-N 3.3Å; G152-L154 PolarHBondContact O-N 3.21Å; G152-L154 VanDerWaalsContact O-N 3.08Å |
| 153 | G | 83.9 | Confident | 92.1 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 73% | 0.732 | 27% | 0.274 | S | S | * | . | trans | 65.7 | 8.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S151 | S151-G153 VanDerWaalsContact C-N 3.32Å; S151-G153 PolarHBondContact O-N 2.93Å | ||
| 154 | L | 92.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | trans | -64.8 | 132 | 179.5 | -164.4 | 75.3 | 0 | 0 | 0 | 110.1 | V107 V147 G152 Y160 R162 | V107-L154 HydrophobicContact CG2-CD1 3.98Å; V107-L154 HydrophobicContact CG2-CD2 3.7Å; V107-L154 HydrophobicContact CG2-CG 4.5Å; V147-L154 HydrophobicContact CB-CD2 4.47Å; V147-L154 HydrophobicContact CG1-CD2 4.4Å; V147-L154 HydrophobicContact CG2-CD2 4.26Å; G152-L154 PolarHBondContact O-N 3.21Å; G152-L154 VanDerWaalsContact O-N 3.08Å; L154-Y160 WeakPolarHBondContact CD1-O 3.41Å; L154-R162 HydrophobicContact CD2-CG 3.95Å; L154-R162 PolarHBondContact O-NH1 3.32Å; L154-R162 PolarHBondContact O-NH2 2.84Å | ||
| 155 | P | 95.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 20% | 0.201 | 26% | 0.262 | C | S | . | . | trans | -68.9 | 176.9 | 173.8 | 30.1 | -33.9 | 0 | 0 | 0 | 111 | E157 G161 R162 | P155-E157 HydrophobicContact CB-CG 4.48Å; P155-G161 CarbonylContact O-C 3.54Å; P155-G161 WeakPolarHBondContact O-CA 3.48Å; P155-R162 PolarHBondContact O-N 3.24Å | ||
| 156 | D | 98.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | trans | -105.1 | -12.4 | -178.7 | -67.8 | -60.5 | 0 | 0 | 0 | 113.7 | R162 V163 V193 S196 Y214 I231 | D156-R162 VanDerWaalsContact OD1-CD 3.31Å; D156-R162 WeakPolarHBondContact OD1-CD 3.34Å; D156-R162 IonicContact OD1-CZ 2.61Å; D156-R162 IonicContact OD1-NE 3.78Å; D156-R162 IonicContact OD1-NH1 2.76Å; D156-R162 PolarHBondContact OD1-NH1 2.95Å; D156-R162 IonicContact OD2-NH1 3.66Å; D156-V163 WeakPolarHBondContact O-CB 3.49Å; D156-V163 WeakPolarHBondContact O-CG2 3.31Å; D156-V163 PolarHBondContact O-N 3.06Å; D156-V163 VanDerWaalsContact O-N 3.14Å; D156-V193 HydrophobicContact CB-CG1 4.39Å; D156-S196 VanDerWaalsContact OD2-CB 3.23Å; D156-S196 WeakPolarHBondContact OD2-CB 3.28Å; D156-S196 PolarHBondContact OD2-OG 2.94Å; D156-Y214 HydrophobicContact CB-CD1 3.58Å; D156-Y214 HydrophobicContact CB-CE1 3.88Å; D156-Y214 HydrophobicContact CB-CG 4.45Å; D156-Y214 WeakPolarHBondContact OD2-CD1 3.37Å; D156-I231 HydrophobicContact CB-CD1 3.98Å | ||
| 157 | E | 98.4 | Very high | 93 | Very high | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -73.5 | 179.7 | -174 | 58.9 | 65.7 | -106.9 | 0 | 0 | 115 | P155 L159 Y160 G161 G164 W216 A225 H226 I231 | P155-E157 HydrophobicContact CB-CG 4.48Å; E157-L159 WeakPolarHBondContact OE2-CB 3.3Å; E157-L159 PolarHBondContact OE2-N 2.88Å; E157-Y160 VanDerWaalsContact OE1-C 3.27Å; E157-Y160 WeakPolarHBondContact OE1-CA 3.49Å; E157-Y160 VanDerWaalsContact OE1-CB 3.32Å; E157-Y160 WeakPolarHBondContact OE1-CB 3.48Å; E157-Y160 PolarHBondContact OE1-N 2.6Å; E157-G161 CarbonylContact O-C 3.48Å; E157-G161 VanDerWaalsContact O-C 3.28Å; E157-G161 WeakPolarHBondContact O-CA 3.44Å; E157-G161 PolarHBondContact O-N 2.65Å; E157-G161 PolarHBondContact OE1-N 3.15Å; E157-G164 PolarHBondContact O-N 3.22Å; E157-W216 HydrophobicContact CG-CB 3.88Å; E157-W216 HydrophobicContact CG-CD2 4.44Å; E157-W216 HydrophobicContact CG-CG 3.76Å; E157-A225 VanDerWaalsContact OE2-O 3.07Å; E157-H226 VanDerWaalsContact CB-O 3.23Å; E157-H226 WeakPolarHBondContact CB-O 3.47Å; E157-H226 HydrophobicContact CG-CB 4.33Å; E157-H226 IonicContact OE2-CE1 3.91Å; E157-H226 IonicContact OE2-CG 3.71Å; E157-H226 IonicContact OE2-ND1 3.72Å; E157-H226 PolarHBondContact OE2-ND1 3.15Å; E157-I231 HydrophobicContact CB-CD1 4.41Å |
| 158 | L | 98.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -36.2 | -166.3 | -176.3 | 75.2 | 0 | 0 | 0 | 113.4 | L110 V163 G164 A225 F234 W282 F404 | L110-L158 HydrophobicContact CD1-CD2 4.06Å; L110-L158 HydrophobicContact CD1-CG 4.18Å; L158-V163 HydrophobicContact CD1-CG1 4Å; L158-G164 WeakPolarHBondContact O-CA 3.25Å; L158-A225 VanDerWaalsContact CB-O 3.26Å; L158-A225 WeakPolarHBondContact CB-O 3.46Å; L158-A225 PolarHBondContact N-O 3.24Å; L158-A225 VanDerWaalsContact N-O 3.1Å; L158-F234 HydrophobicContact CD1-CE2 3.84Å; L158-F234 HydrophobicContact CD1-CZ 4.21Å; L158-W282 HydrophobicContact CD2-CH2 3.58Å; L158-W282 HydrophobicContact CD2-CZ2 3.42Å; L158-W282 VanDerWaalsContact CD2-CZ2 3.42Å; L158-F404 HydrophobicContact CD1-CD2 4.14Å; L158-F404 HydrophobicContact CD2-CB 4.43Å; L158-F404 HydrophobicContact CD2-CD2 3.43Å; L158-F404 VanDerWaalsContact CD2-CD2 3.43Å; L158-F404 HydrophobicContact CD2-CE2 4.06Å; L158-F404 HydrophobicContact CD2-CG 4.26Å; L158-F404 HydrophobicContact CG-CD2 4.42Å |
| 159 | L | 98.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -34.2 | -172.9 | -61.9 | -155.8 | 0 | 0 | 0 | 112.3 | Y64 T108 L110 C111 E157 A225 H226 W282 | Y64-L159 HydrophobicContact CD2-CD1 4.46Å; Y64-L159 HydrophobicContact CD2-CD2 4.43Å; Y64-L159 HydrophobicContact CE2-CD1 4.12Å; T108-L159 WeakPolarHBondContact CB-O 3.45Å; T108-L159 WeakPolarHBondContact CG2-O 3.42Å; T108-L159 PolarHBondContact OG1-O 3Å; L110-L159 HydrophobicContact CB-CD2 4.11Å; L110-L159 HydrophobicContact CD1-CD2 3.3Å; L110-L159 HydrophobicContact CG-CD2 4.32Å; C111-L159 WeakPolarHBondContact CB-O 3.32Å; E157-L159 WeakPolarHBondContact OE2-CB 3.3Å; E157-L159 PolarHBondContact OE2-N 2.88Å; L159-A225 HydrophobicContact CD1-CB 4.33Å; L159-A225 HydrophobicContact CD2-CB 4.43Å; L159-A225 HydrophobicContact CG-CB 4.16Å; L159-A225 PolarHBondContact N-O 2.7Å; L159-H226 VanDerWaalsContact CD1-CE1 3.41Å; L159-H226 WeakPolarHBondContact CD1-CE1 3.45Å; L159-W282 HydrophobicContact CD2-CH2 4.21Å |
| 160 | Y | 97.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 29.1 Ų | 29.1 | 33% | 0.329 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | -5.3 | -173.1 | -56.7 | -76.9 | 0 | 0 | 0 | 114.1 | T108 C111 L154 E157 W216 H226 | T108-Y160 VanDerWaalsContact CG2-CA 3.42Å; C111-Y160 HydrophobicContact CB-CD1 3.88Å; C111-Y160 HydrophobicContact CB-CE1 3.42Å; C111-Y160 VanDerWaalsContact CB-CE1 3.42Å; L154-Y160 WeakPolarHBondContact CD1-O 3.41Å; E157-Y160 VanDerWaalsContact OE1-C 3.27Å; E157-Y160 WeakPolarHBondContact OE1-CA 3.49Å; E157-Y160 VanDerWaalsContact OE1-CB 3.32Å; E157-Y160 WeakPolarHBondContact OE1-CB 3.48Å; E157-Y160 PolarHBondContact OE1-N 2.6Å; Y160-W216 AromaticContact CD2-CE2 3.87Å; Y160-W216 AromaticContact CD2-CZ2 3.61Å; Y160-W216 HydrophobicContact CD2-CZ2 3.61Å; Y160-W216 AromaticContact CD2-NE1 3.79Å; Y160-W216 HydrophobicContact CE2-CH2 4.49Å; Y160-W216 AromaticContact CE2-CZ2 3.71Å; Y160-W216 HydrophobicContact CE2-CZ2 3.71Å; Y160-H226 AromaticContact CE2-CE1 3.96Å |
| 161 | G | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -105.4 | -171.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | T108 P155 E157 V163 G164 F165 | T108-G161 VanDerWaalsContact CG2-O 3.31Å; T108-G161 WeakPolarHBondContact CG2-O 3.49Å; P155-G161 CarbonylContact O-C 3.54Å; P155-G161 WeakPolarHBondContact O-CA 3.48Å; E157-G161 CarbonylContact O-C 3.48Å; E157-G161 VanDerWaalsContact O-C 3.28Å; E157-G161 WeakPolarHBondContact O-CA 3.44Å; E157-G161 PolarHBondContact O-N 2.65Å; E157-G161 PolarHBondContact OE1-N 3.15Å; G161-V163 VanDerWaalsContact C-N 3.29Å; G161-V163 PolarHBondContact O-N 3.25Å; G161-G164 WeakPolarHBondContact O-CA 3.35Å; G161-G164 PolarHBondContact O-N 2.89Å; G161-F165 PolarHBondContact O-N 2.79Å |
| 162 | R | 98.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 16 Ų | 16 | 6% | 0.057 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58 | -38.6 | -179.5 | -64.5 | -170.8 | -179.5 | 74.3 | 11 | 112.7 | V147 L154 P155 D156 G164 F165 L166 V189 V193 | V147-R162 HydrophobicContact CG1-CB 4.26Å; V147-R162 HydrophobicContact CG1-CG 3.95Å; V147-R162 PolarHBondContact O-NE 3.46Å; L154-R162 HydrophobicContact CD2-CG 3.95Å; L154-R162 PolarHBondContact O-NH1 3.32Å; L154-R162 PolarHBondContact O-NH2 2.84Å; P155-R162 PolarHBondContact O-N 3.24Å; D156-R162 VanDerWaalsContact OD1-CD 3.31Å; D156-R162 WeakPolarHBondContact OD1-CD 3.34Å; D156-R162 IonicContact OD1-CZ 2.61Å; D156-R162 IonicContact OD1-NE 3.78Å; D156-R162 IonicContact OD1-NH1 2.76Å; D156-R162 PolarHBondContact OD1-NH1 2.95Å; D156-R162 IonicContact OD2-NH1 3.66Å; R162-G164 VanDerWaalsContact C-N 3.3Å; R162-G164 PolarHBondContact O-N 2.83Å; R162-F165 PolarHBondContact O-N 3.06Å; R162-L166 PolarHBondContact O-N 3.44Å; R162-V189 HydrophobicContact CB-CG1 4.13Å; R162-V193 HydrophobicContact CB-CG2 3.53Å; R162-V193 HydrophobicContact CG-CG2 4.35Å |
| 163 | V | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | D156 L158 G161 F165 L166 S167 V193 I231 F234 | D156-V163 WeakPolarHBondContact O-CB 3.49Å; D156-V163 WeakPolarHBondContact O-CG2 3.31Å; D156-V163 PolarHBondContact O-N 3.06Å; D156-V163 VanDerWaalsContact O-N 3.14Å; L158-V163 HydrophobicContact CD1-CG1 4Å; G161-V163 VanDerWaalsContact C-N 3.29Å; G161-V163 PolarHBondContact O-N 3.25Å; V163-F165 VanDerWaalsContact C-N 3.33Å; V163-F165 PolarHBondContact O-N 2.83Å; V163-L166 WeakPolarHBondContact O-CB 3.45Å; V163-L166 PolarHBondContact O-N 3.5Å; V163-S167 PolarHBondContact O-N 3.43Å; V163-V193 HydrophobicContact CG2-CG1 4.46Å; V163-V193 HydrophobicContact CG2-CG2 4.27Å; V163-I231 HydrophobicContact CG2-CB 4.39Å; V163-I231 HydrophobicContact CG2-CG1 4.12Å; V163-I231 HydrophobicContact CG2-CG2 4.23Å; V163-F234 HydrophobicContact CG1-CB 3.88Å; V163-F234 HydrophobicContact CG1-CD1 4.13Å; V163-F234 HydrophobicContact CG1-CD2 3.39Å; V163-F234 HydrophobicContact CG1-CE2 3.92Å; V163-F234 HydrophobicContact CG1-CG 3.52Å; V163-F234 HydrophobicContact CG1-CZ 4.48Å |
| 164 | G | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.3 | -35.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F109 E157 L158 G161 R162 | F109-G164 PolarHBondContact N-O 3.43Å; E157-G164 PolarHBondContact O-N 3.22Å; L158-G164 WeakPolarHBondContact O-CA 3.25Å; G161-G164 WeakPolarHBondContact O-CA 3.35Å; G161-G164 PolarHBondContact O-N 2.89Å; R162-G164 VanDerWaalsContact C-N 3.3Å; R162-G164 PolarHBondContact O-N 2.83Å |
| 165 | F | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.2 | -41.8 | 171.4 | 175.3 | -103.8 | 0 | 0 | 0 | 111.8 | V107 T114 L140 Q144 V147 G161 R162 V163 S167 S168 L169 V189 | V107-F165 HydrophobicContact CG2-CB 4.38Å; V107-F165 WeakPolarHBondContact O-CD2 3.24Å; T114-F165 HydrophobicContact CG2-CD2 3.85Å; T114-F165 HydrophobicContact CG2-CE2 3.93Å; L140-F165 HydrophobicContact CD2-CE2 4.07Å; L140-F165 HydrophobicContact CD2-CZ 4.39Å; Q144-F165 HydrophobicContact CB-CE1 4.07Å; Q144-F165 HydrophobicContact CB-CZ 3.92Å; Q144-F165 HydrophobicContact CG-CE1 4.23Å; V147-F165 HydrophobicContact CB-CD1 4.13Å; V147-F165 HydrophobicContact CB-CE1 4.46Å; V147-F165 HydrophobicContact CB-CG 4.44Å; V147-F165 HydrophobicContact CG1-CB 4.33Å; V147-F165 HydrophobicContact CG1-CD1 3.79Å; V147-F165 HydrophobicContact CG1-CE1 4.44Å; V147-F165 HydrophobicContact CG1-CG 4.24Å; V147-F165 HydrophobicContact CG2-CB 3.93Å; V147-F165 HydrophobicContact CG2-CD1 3.74Å; V147-F165 HydrophobicContact CG2-CD2 3.94Å; V147-F165 HydrophobicContact CG2-CE1 4.19Å; V147-F165 HydrophobicContact CG2-CE2 4.39Å; V147-F165 HydrophobicContact CG2-CG 3.58Å; V147-F165 HydrophobicContact CG2-CZ 4.5Å; G161-F165 PolarHBondContact O-N 2.79Å; R162-F165 PolarHBondContact O-N 3.06Å; V163-F165 VanDerWaalsContact C-N 3.33Å; V163-F165 PolarHBondContact O-N 2.83Å; F165-S167 PolarHBondContact O-N 3.06Å; F165-S168 WeakPolarHBondContact O-CA 3.35Å; F165-S168 VanDerWaalsContact O-CB 3.28Å; F165-S168 WeakPolarHBondContact O-CB 3.31Å; F165-S168 PolarHBondContact O-N 3.5Å; F165-L169 HydrophobicContact CD1-CD1 4.31Å; F165-L169 HydrophobicContact CD1-CG 4.46Å; F165-L169 HydrophobicContact CE1-CD1 3.79Å; F165-L169 HydrophobicContact CE1-CD2 4.13Å; F165-L169 HydrophobicContact CE1-CG 4.05Å; F165-L169 HydrophobicContact CZ-CD1 4.41Å; F165-L169 HydrophobicContact CZ-CD2 3.92Å; F165-L169 HydrophobicContact CZ-CG 4.32Å; F165-L169 PolarHBondContact O-N 3.47Å; F165-V189 HydrophobicContact CD1-CG2 3.97Å; F165-V189 HydrophobicContact CE1-CG2 4Å |
| 166 | L | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.7 | -41.2 | 175.4 | 177.3 | 56.8 | 0 | 0 | 0 | 111.2 | R162 V163 S168 L169 V170 I186 V189 F234 F240 | R162-L166 PolarHBondContact O-N 3.44Å; V163-L166 WeakPolarHBondContact O-CB 3.45Å; V163-L166 PolarHBondContact O-N 3.5Å; L166-S168 PolarHBondContact O-N 3.46Å; L166-L169 WeakPolarHBondContact O-CB 3.3Å; L166-L169 PolarHBondContact O-N 2.9Å; L166-L169 VanDerWaalsContact O-N 3.07Å; L166-V170 HydrophobicContact CD1-CG2 4.1Å; L166-V170 HydrophobicContact CG-CG2 4.36Å; L166-V170 WeakPolarHBondContact O-CG2 3.46Å; L166-V170 PolarHBondContact O-N 2.78Å; L166-I186 HydrophobicContact CD1-CB 4.06Å; L166-I186 HydrophobicContact CD1-CG1 3.92Å; L166-I186 HydrophobicContact CD1-CG2 3.7Å; L166-V189 HydrophobicContact CB-CG1 4.06Å; L166-F234 HydrophobicContact CD2-CB 4.27Å; L166-F234 HydrophobicContact CD2-CD1 3.81Å; L166-F234 HydrophobicContact CD2-CG 4.45Å; L166-F234 HydrophobicContact CG-CD1 3.93Å; L166-F234 HydrophobicContact CG-CE1 4.38Å; L166-F240 HydrophobicContact CD1-CD2 4.41Å; L166-F240 HydrophobicContact CD1-CE2 4.39Å; L166-F240 HydrophobicContact CD2-CD2 3.89Å; L166-F240 HydrophobicContact CD2-CE2 4.25Å; L166-F240 HydrophobicContact CG-CD2 4.41Å; L166-F240 HydrophobicContact CG-CE2 4.34Å |
| 167 | S | 98.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 17.8 Ų | 17.8 | 6% | 0.063 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.7 | -35.3 | 173 | -172.4 | 0 | 0 | 0 | 0 | 113 | V163 F165 F171 | V163-S167 PolarHBondContact O-N 3.43Å; F165-S167 PolarHBondContact O-N 3.06Å; S167-F171 VanDerWaalsContact O-CB 3.32Å; S167-F171 WeakPolarHBondContact O-CB 3.37Å; S167-F171 PolarHBondContact O-N 3.33Å |
| 168 | S | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.5 | -39.7 | 176.8 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | F109 T114 F165 L166 L172 | F109-S168 VanDerWaalsContact CA-OG 3.28Å; F109-S168 WeakPolarHBondContact CA-OG 3.3Å; F109-S168 VanDerWaalsContact CB-OG 3.26Å; F109-S168 WeakPolarHBondContact CB-OG 3.46Å; F109-S168 PolarHBondContact N-OG 3.08Å; F109-S168 VanDerWaalsContact N-OG 3.17Å; T114-S168 PolarHBondContact OG1-OG 3.37Å; F165-S168 WeakPolarHBondContact O-CA 3.35Å; F165-S168 VanDerWaalsContact O-CB 3.28Å; F165-S168 WeakPolarHBondContact O-CB 3.31Å; F165-S168 PolarHBondContact O-N 3.5Å; L166-S168 PolarHBondContact O-N 3.46Å; S168-L172 WeakPolarHBondContact O-CG 3.48Å; S168-L172 PolarHBondContact O-N 3.03Å |
| 169 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 176.3 | -56.7 | -176.1 | 0 | 0 | 0 | 111.1 | L140 L141 F165 L166 L172 N173 V181 I186 V189 | L140-L169 HydrophobicContact CD2-CD2 3.54Å; L141-L169 HydrophobicContact CD2-CD2 3.72Å; F165-L169 HydrophobicContact CD1-CD1 4.31Å; F165-L169 HydrophobicContact CD1-CG 4.46Å; F165-L169 HydrophobicContact CE1-CD1 3.79Å; F165-L169 HydrophobicContact CE1-CD2 4.13Å; F165-L169 HydrophobicContact CE1-CG 4.05Å; F165-L169 HydrophobicContact CZ-CD1 4.41Å; F165-L169 HydrophobicContact CZ-CD2 3.92Å; F165-L169 HydrophobicContact CZ-CG 4.32Å; F165-L169 PolarHBondContact O-N 3.47Å; L166-L169 WeakPolarHBondContact O-CB 3.3Å; L166-L169 PolarHBondContact O-N 2.9Å; L166-L169 VanDerWaalsContact O-N 3.07Å; L169-L172 WeakPolarHBondContact O-CB 3.25Å; L169-L172 PolarHBondContact O-N 3.39Å; L169-N173 PolarHBondContact O-N 3.04Å; L169-V181 HydrophobicContact CB-CG1 4.23Å; L169-V181 HydrophobicContact CD1-CG1 4.4Å; L169-V181 HydrophobicContact CD2-CG1 4.13Å; L169-V181 HydrophobicContact CD2-CG2 4.4Å; L169-V181 HydrophobicContact CG-CG1 4.49Å; L169-I186 HydrophobicContact CB-CG1 4.21Å; L169-I186 HydrophobicContact CD1-CG1 4.3Å; L169-V189 HydrophobicContact CD1-CG2 4.4Å |
| 170 | V | 97.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | L166 L172 N173 Q174 I186 F240 V406 | L166-V170 HydrophobicContact CD1-CG2 4.1Å; L166-V170 HydrophobicContact CG-CG2 4.36Å; L166-V170 WeakPolarHBondContact O-CG2 3.46Å; L166-V170 PolarHBondContact O-N 2.78Å; V170-L172 VanDerWaalsContact C-N 3.3Å; V170-L172 PolarHBondContact O-N 3.39Å; V170-N173 PolarHBondContact O-N 2.83Å; V170-N173 VanDerWaalsContact O-N 3.1Å; V170-Q174 HydrophobicContact CG1-CG 4.28Å; V170-Q174 WeakPolarHBondContact O-CG 3.48Å; V170-Q174 PolarHBondContact O-N 2.75Å; V170-I186 HydrophobicContact CG2-CD1 4.45Å; V170-F240 HydrophobicContact CB-CZ 4.35Å; V170-F240 HydrophobicContact CG1-CZ 4.12Å; V170-F240 HydrophobicContact CG2-CE1 4.26Å; V170-F240 HydrophobicContact CG2-CE2 3.53Å; V170-F240 HydrophobicContact CG2-CZ 3.25Å; V170-V406 HydrophobicContact CG1-CB 4.27Å; V170-V406 HydrophobicContact CG1-CG1 3.51Å; V170-V406 HydrophobicContact CG1-CG2 3.79Å |
| 171 | F | 98.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.5 | -43.8 | 174.4 | 175 | -93.5 | 0 | 0 | 0 | 111.9 | L72 L75 F109 A118 V119 V122 S167 N173 Q174 Q175 | L72-F171 HydrophobicContact CD1-CE2 3.74Å; L72-F171 HydrophobicContact CD1-CZ 3.96Å; L75-F171 HydrophobicContact CD2-CZ 4.28Å; F109-F171 HydrophobicContact CD2-CB 4.38Å; F109-F171 HydrophobicContact CD2-CG 4.47Å; F109-F171 HydrophobicContact CE2-CB 3.98Å; F109-F171 AromaticContact CE2-CD1 3.69Å; F109-F171 HydrophobicContact CE2-CD1 3.69Å; F109-F171 HydrophobicContact CE2-CD2 4.01Å; F109-F171 HydrophobicContact CE2-CE1 4.11Å; F109-F171 HydrophobicContact CE2-CE2 4.43Å; F109-F171 AromaticContact CE2-CG 3.61Å; F109-F171 HydrophobicContact CE2-CG 3.61Å; F109-F171 HydrophobicContact CE2-CZ 4.46Å; F109-F171 HydrophobicContact CZ-CD1 4.35Å; F109-F171 HydrophobicContact CZ-CD2 4.05Å; F109-F171 HydrophobicContact CZ-CE1 4.44Å; F109-F171 HydrophobicContact CZ-CE2 4.17Å; F109-F171 HydrophobicContact CZ-CG 4.12Å; F109-F171 HydrophobicContact CZ-CZ 4.35Å; A118-F171 HydrophobicContact CB-CD1 3.86Å; A118-F171 HydrophobicContact CB-CE1 4.27Å; V119-F171 HydrophobicContact CG2-CE1 4.42Å; V119-F171 HydrophobicContact CG2-CZ 4.35Å; V122-F171 HydrophobicContact CB-CE1 4.34Å; V122-F171 HydrophobicContact CG2-CD1 4.26Å; V122-F171 HydrophobicContact CG2-CE1 3.51Å; V122-F171 HydrophobicContact CG2-CZ 4.12Å; S167-F171 VanDerWaalsContact O-CB 3.32Å; S167-F171 WeakPolarHBondContact O-CB 3.37Å; S167-F171 PolarHBondContact O-N 3.33Å; F171-N173 VanDerWaalsContact C-N 3.33Å; F171-N173 PolarHBondContact O-N 3Å; F171-Q174 PolarHBondContact O-N 3.34Å; F171-Q175 HydrophobicContact CD1-CG 4.35Å; F171-Q175 HydrophobicContact CD2-CG 4.08Å; F171-Q175 HydrophobicContact CE1-CG 4.08Å; F171-Q175 HydrophobicContact CE2-CG 3.75Å; F171-Q175 HydrophobicContact CG-CG 4.38Å; F171-Q175 HydrophobicContact CZ-CG 3.77Å; F171-Q175 WeakPolarHBondContact O-CB 3.18Å; F171-Q175 VanDerWaalsContact O-CG 3.23Å; F171-Q175 WeakPolarHBondContact O-CG 3.16Å; F171-Q175 PolarHBondContact O-N 2.88Å |
| 172 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.6 | -70.1 | 175 | 0 | 0 | 0 | 111.4 | A118 A121 V122 I137 L140 S168 L169 V170 Q175 L176 V181 | A118-L172 HydrophobicContact CB-CD2 4.29Å; A118-L172 HydrophobicContact CB-CG 4.43Å; A121-L172 HydrophobicContact CB-CD2 3.86Å; V122-L172 HydrophobicContact CG2-CD2 4.48Å; I137-L172 HydrophobicContact CD1-CD2 4.16Å; I137-L172 HydrophobicContact CG1-CD1 4.01Å; I137-L172 HydrophobicContact CG1-CD2 3.98Å; I137-L172 HydrophobicContact CG2-CD1 4.32Å; L140-L172 HydrophobicContact CD1-CD1 4.12Å; L140-L172 HydrophobicContact CD2-CD1 4.31Å; S168-L172 WeakPolarHBondContact O-CG 3.48Å; S168-L172 PolarHBondContact O-N 3.03Å; L169-L172 WeakPolarHBondContact O-CB 3.25Å; L169-L172 PolarHBondContact O-N 3.39Å; V170-L172 VanDerWaalsContact C-N 3.3Å; V170-L172 PolarHBondContact O-N 3.39Å; L172-Q175 PolarHBondContact O-N 3.2Å; L172-L176 HydrophobicContact CD2-CD1 4.03Å; L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.48Å; L172-L176 PolarHBondContact O-N 3.23Å; L172-V181 HydrophobicContact CB-CG2 4.06Å; L172-V181 HydrophobicContact CD1-CG2 3.87Å |
| 173 | N | 97.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -43 | -179.9 | -73.4 | 7.2 | 0 | 0 | 0 | 112.4 | L169 V170 F171 Q175 G177 P178 V181 | L169-N173 PolarHBondContact O-N 3.04Å; V170-N173 PolarHBondContact O-N 2.83Å; V170-N173 VanDerWaalsContact O-N 3.1Å; F171-N173 VanDerWaalsContact C-N 3.33Å; F171-N173 PolarHBondContact O-N 3Å; N173-Q175 VanDerWaalsContact C-N 3.28Å; N173-Q175 PolarHBondContact O-N 2.82Å; N173-G177 CarbonylContact C-O 3.6Å; N173-G177 VanDerWaalsContact CA-O 3.25Å; N173-G177 WeakPolarHBondContact CA-O 3.28Å; N173-G177 CarbonylContact O-C 3.29Å; N173-G177 VanDerWaalsContact O-CA 3.29Å; N173-G177 WeakPolarHBondContact O-CA 3.39Å; N173-G177 PolarHBondContact O-N 3.25Å; N173-P178 PolarHBondContact ND2-O 3.08Å; N173-V181 PolarHBondContact ND2-O 3.1Å; N173-V181 WeakPolarHBondContact OD1-CA 3.39Å; N173-V181 VanDerWaalsContact OD1-CB 3.27Å; N173-V181 WeakPolarHBondContact OD1-CB 3.2Å; N173-V181 PolarHBondContact OD1-N 3.5Å |
| 174 | Q | 96.1 | Very high | 96.5 | Very high | 83 Ų | 83 | 39.5 Ų | 39.5 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -37 | 176.5 | -71.2 | 175.1 | -38.7 | 0 | 0 | 112.5 | V170 F171 V406 | V170-Q174 HydrophobicContact CG1-CG 4.28Å; V170-Q174 WeakPolarHBondContact O-CG 3.48Å; V170-Q174 PolarHBondContact O-N 2.75Å; F171-Q174 PolarHBondContact O-N 3.34Å; Q174-V406 VanDerWaalsContact NE2-CA 3.25Å; Q174-V406 PolarHBondContact NE2-OXT 3.07Å |
| 175 | Q | 97.5 | Very high | 96.4 | Very high | 56 Ų | 56 | 40 Ų | 40 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -90.5 | -30.2 | -172.6 | -66.4 | -59.5 | -42.2 | 0 | 0 | 114.1 | V122 R126 F171 L172 N173 | V122-Q175 HydrophobicContact CB-CB 4.3Å; V122-Q175 HydrophobicContact CG1-CB 3.79Å; V122-Q175 HydrophobicContact CG1-CG 4.24Å; V122-Q175 HydrophobicContact CG2-CB 3.45Å; V122-Q175 VanDerWaalsContact CG2-CB 3.45Å; V122-Q175 HydrophobicContact CG2-CG 3.98Å; R126-Q175 PolarHBondContact NH2-O 3.33Å; F171-Q175 HydrophobicContact CD1-CG 4.35Å; F171-Q175 HydrophobicContact CD2-CG 4.08Å; F171-Q175 HydrophobicContact CE1-CG 4.08Å; F171-Q175 HydrophobicContact CE2-CG 3.75Å; F171-Q175 HydrophobicContact CG-CG 4.38Å; F171-Q175 HydrophobicContact CZ-CG 3.77Å; F171-Q175 WeakPolarHBondContact O-CB 3.18Å; F171-Q175 VanDerWaalsContact O-CG 3.23Å; F171-Q175 WeakPolarHBondContact O-CG 3.16Å; F171-Q175 PolarHBondContact O-N 2.88Å; L172-Q175 PolarHBondContact O-N 3.2Å; N173-Q175 VanDerWaalsContact C-N 3.28Å; N173-Q175 PolarHBondContact O-N 2.82Å |
| 176 | L | 97 | Very high | 96.4 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -116.2 | -7.2 | -172.4 | -57.5 | 179.3 | 0 | 0 | 0 | 113.6 | V122 S125 I137 L172 R180 | V122-L176 HydrophobicContact CG1-CD2 4.45Å; V122-L176 HydrophobicContact CG2-CD1 4.33Å; V122-L176 HydrophobicContact CG2-CD2 4.2Å; V122-L176 HydrophobicContact CG2-CG 4.09Å; S125-L176 WeakPolarHBondContact OG-CD2 3.37Å; I137-L176 HydrophobicContact CD1-CD1 3.65Å; L172-L176 HydrophobicContact CD2-CD1 4.03Å; L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.48Å; L172-L176 PolarHBondContact O-N 3.23Å; L176-R180 HydrophobicContact CB-CB 4.15Å; L176-R180 HydrophobicContact CB-CG 3.86Å; L176-R180 HydrophobicContact CD1-CG 4.1Å |
| 177 | G | 94.5 | Very high | 96.4 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | 121 | 148.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N173 D179 R180 | N173-G177 CarbonylContact C-O 3.6Å; N173-G177 VanDerWaalsContact CA-O 3.25Å; N173-G177 WeakPolarHBondContact CA-O 3.28Å; N173-G177 CarbonylContact O-C 3.29Å; N173-G177 VanDerWaalsContact O-CA 3.29Å; N173-G177 WeakPolarHBondContact O-CA 3.39Å; N173-G177 PolarHBondContact O-N 3.25Å; G177-D179 PolarHBondContact O-N 3.43Å; G177-R180 VanDerWaalsContact O-CB 3.29Å; G177-R180 WeakPolarHBondContact O-CB 3.47Å; G177-R180 PolarHBondContact O-N 3.41Å | ||
| 178 | P | 87.8 | Confident | 96.4 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 66% | 0.662 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.2 | -166.5 | 23.5 | -34.7 | 0 | 0 | 0 | 114.8 | N173 | N173-P178 PolarHBondContact ND2-O 3.08Š|
| 179 | D | 90.3 | Very high | 96.4 | Very high | 141 Ų | 141 | 46.1 Ų | 46.1 | 75% | 0.754 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 11 | -177.3 | -58.5 | -52.8 | 0 | 0 | 0 | 113.4 | G177 V181 | G177-D179 PolarHBondContact O-N 3.43Å; D179-V181 PolarHBondContact O-N 3.29Å |
| 180 | R | 95.9 | Very high | 96.4 | Very high | 78 Ų | 78 | 46.2 Ų | 46.2 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -62.8 | -44.3 | -174.9 | -179.5 | 63.9 | -160.3 | -178.9 | -3.4 | 112.3 | E134 I137 L176 G177 | E134-R180 IonicContact OE1-CZ 2.67Å; E134-R180 IonicContact OE1-NH1 3.55Å; E134-R180 PolarHBondContact OE1-NH1 3.02Å; E134-R180 IonicContact OE1-NH2 3.67Å; E134-R180 PolarHBondContact OE1-NH2 3.46Å; E134-R180 IonicContact OE2-CZ 3.56Å; E134-R180 IonicContact OE2-NH1 3.83Å; E134-R180 IonicContact OE2-NH2 3.43Å; E134-R180 PolarHBondContact OE2-NH2 2.9Å; I137-R180 HydrophobicContact CD1-CG 4.43Å; I137-R180 VanDerWaalsContact CD1-NE 3.33Å; L176-R180 HydrophobicContact CB-CB 4.15Å; L176-R180 HydrophobicContact CB-CG 3.86Å; L176-R180 HydrophobicContact CD1-CG 4.1Å; G177-R180 VanDerWaalsContact O-CB 3.29Å; G177-R180 WeakPolarHBondContact O-CB 3.47Å; G177-R180 PolarHBondContact O-N 3.41Å |
| 181 | V | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -105.7 | 123.8 | 166.3 | 179.2 | 0 | 0 | 0 | 0 | 106.7 | L141 L169 L172 N173 D179 L183 C185 | L141-V181 HydrophobicContact CD2-CG1 4.19Å; L141-V181 HydrophobicContact CD2-CG2 4.49Å; L169-V181 HydrophobicContact CB-CG1 4.23Å; L169-V181 HydrophobicContact CD1-CG1 4.4Å; L169-V181 HydrophobicContact CD2-CG1 4.13Å; L169-V181 HydrophobicContact CD2-CG2 4.4Å; L169-V181 HydrophobicContact CG-CG1 4.49Å; L172-V181 HydrophobicContact CB-CG2 4.06Å; L172-V181 HydrophobicContact CD1-CG2 3.87Å; N173-V181 PolarHBondContact ND2-O 3.1Å; N173-V181 WeakPolarHBondContact OD1-CA 3.39Å; N173-V181 VanDerWaalsContact OD1-CB 3.27Å; N173-V181 WeakPolarHBondContact OD1-CB 3.2Å; N173-V181 PolarHBondContact OD1-N 3.5Å; D179-V181 PolarHBondContact O-N 3.29Å; V181-L183 PolarHBondContact O-N 3Å; V181-C185 HydrophobicContact CG1-CB 3.88Å |
| 182 | P | 95.9 | Very high | 96.4 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | trans | -56.7 | 139 | 179.3 | -27.7 | 36 | 0 | 0 | 0 | 112.9 | H184 C185 | P182-H184 WeakPolarHBondContact CB-CE1 3.33Å; P182-H184 WeakPolarHBondContact CB-ND1 3.35Å; P182-H184 PolarHBondContact O-N 3.37Å; P182-H184 VanDerWaalsContact O-N 3.11Å; P182-C185 WeakPolarHBondContact O-CB 3.32Å; P182-C185 PolarHBondContact O-N 2.99Å | ||
| 183 | L | 96.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.6 | -34.5 | 179.8 | -178.2 | 61.6 | 0 | 0 | 0 | 113.1 | V181 C185 I186 Q187 | V181-L183 PolarHBondContact O-N 3Å; L183-C185 PolarHBondContact O-N 2.7Å; L183-I186 HydrophobicContact CD1-CG2 4.47Å; L183-I186 WeakPolarHBondContact O-CB 3.24Å; L183-I186 PolarHBondContact O-N 3.44Å; L183-I186 VanDerWaalsContact O-N 3.11Å; L183-Q187 HydrophobicContact CD1-CG 4.43Å; L183-Q187 HydrophobicContact CG-CG 4.25Å; L183-Q187 WeakPolarHBondContact O-CG 3.29Å; L183-Q187 PolarHBondContact O-N 2.76Å |
| 184 | H | 96.3 | Very high | 96.5 | Very high | 105 Ų | 105 | 48 Ų | 48 | 49% | 0.486 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.9 | -31.1 | 178.3 | 77 | -94.3 | 0 | 0 | 0 | 112.8 | P182 Q187 Q188 | P182-H184 WeakPolarHBondContact CB-CE1 3.33Å; P182-H184 WeakPolarHBondContact CB-ND1 3.35Å; P182-H184 PolarHBondContact O-N 3.37Å; P182-H184 VanDerWaalsContact O-N 3.11Å; H184-Q187 PolarHBondContact O-N 3.15Å; H184-Q188 WeakPolarHBondContact O-CB 3.4Å; H184-Q188 VanDerWaalsContact O-CG 3.24Å; H184-Q188 WeakPolarHBondContact O-CG 3.39Å; H184-Q188 PolarHBondContact O-N 3.21Å |
| 185 | C | 97.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 175.2 | -70.3 | 0 | 0 | 0 | 0 | 111 | Q144 V181 P182 L183 V189 | Q144-C185 PolarHBondContact OE1-SG 3.34Å; V181-C185 HydrophobicContact CG1-CB 3.88Å; P182-C185 WeakPolarHBondContact O-CB 3.32Å; P182-C185 PolarHBondContact O-N 2.99Å; L183-C185 PolarHBondContact O-N 2.7Å; C185-V189 WeakPolarHBondContact O-CG2 3.48Å; C185-V189 PolarHBondContact O-N 3.34Å |
| 186 | I | 97.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -49.6 | 174.9 | -74.3 | 164.6 | 0 | 0 | 0 | 109.9 | L166 L169 V170 L183 Q188 V189 S190 F240 | L166-I186 HydrophobicContact CD1-CB 4.06Å; L166-I186 HydrophobicContact CD1-CG1 3.92Å; L166-I186 HydrophobicContact CD1-CG2 3.7Å; L169-I186 HydrophobicContact CB-CG1 4.21Å; L169-I186 HydrophobicContact CD1-CG1 4.3Å; V170-I186 HydrophobicContact CG2-CD1 4.45Å; L183-I186 HydrophobicContact CD1-CG2 4.47Å; L183-I186 WeakPolarHBondContact O-CB 3.24Å; L183-I186 PolarHBondContact O-N 3.44Å; L183-I186 VanDerWaalsContact O-N 3.11Å; I186-Q188 VanDerWaalsContact C-N 3.33Å; I186-Q188 PolarHBondContact O-N 3.38Å; I186-V189 PolarHBondContact O-N 3.14Å; I186-V189 VanDerWaalsContact O-N 3.15Å; I186-S190 PolarHBondContact O-N 3.36Å; I186-S190 PolarHBondContact O-OG 3.17Å; I186-F240 HydrophobicContact CG2-CB 4.12Å; I186-F240 HydrophobicContact CG2-CD1 3.59Å; I186-F240 HydrophobicContact CG2-CD2 4.08Å; I186-F240 HydrophobicContact CG2-CE1 4.05Å; I186-F240 HydrophobicContact CG2-CG 3.63Å |
| 187 | Q | 98.3 | Very high | 96.6 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -37.1 | -179.7 | -72.4 | 174.5 | -24 | 0 | 0 | 113.1 | L183 H184 V189 S190 E191 G239 F240 | L183-Q187 HydrophobicContact CD1-CG 4.43Å; L183-Q187 HydrophobicContact CG-CG 4.25Å; L183-Q187 WeakPolarHBondContact O-CG 3.29Å; L183-Q187 PolarHBondContact O-N 2.76Å; H184-Q187 PolarHBondContact O-N 3.15Å; Q187-V189 VanDerWaalsContact C-N 3.33Å; Q187-V189 PolarHBondContact O-N 3.18Å; Q187-S190 PolarHBondContact O-N 2.83Å; Q187-E191 WeakPolarHBondContact O-CB 3.49Å; Q187-E191 PolarHBondContact O-N 2.97Å; Q187-G239 VanDerWaalsContact CG-O 3.28Å; Q187-G239 WeakPolarHBondContact CG-O 3.47Å; Q187-G239 PolarHBondContact NE2-O 3.44Å; Q187-F240 WeakPolarHBondContact CA-O 3.21Å |
| 188 | Q | 98.1 | Very high | 96.8 | Very high | 91 Ų | 91 | 42.4 Ų | 42.4 | 43% | 0.425 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.3 | -79.5 | 175.8 | -25.2 | 0 | 0 | 112.5 | L148 H184 I186 A192 | L148-Q188 HydrophobicContact CD1-CB 4.15Å; L148-Q188 HydrophobicContact CD2-CB 4.17Å; L148-Q188 VanDerWaalsContact CD2-O 3.31Å; L148-Q188 WeakPolarHBondContact CD2-O 3.38Å; H184-Q188 WeakPolarHBondContact O-CB 3.4Å; H184-Q188 VanDerWaalsContact O-CG 3.24Å; H184-Q188 WeakPolarHBondContact O-CG 3.39Å; H184-Q188 PolarHBondContact O-N 3.21Å; I186-Q188 VanDerWaalsContact C-N 3.33Å; I186-Q188 PolarHBondContact O-N 3.38Å; Q188-A192 PolarHBondContact O-N 3.27Å; Q188-A192 VanDerWaalsContact O-N 3.12Å |
| 189 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.6 | -45.2 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | V147 L148 R162 F165 L166 L169 C185 I186 Q187 E191 A192 V193 | V147-V189 HydrophobicContact CG1-CG1 4.15Å; V147-V189 HydrophobicContact CG1-CG2 4.31Å; L148-V189 HydrophobicContact CD2-CG2 4.22Å; R162-V189 HydrophobicContact CB-CG1 4.13Å; F165-V189 HydrophobicContact CD1-CG2 3.97Å; F165-V189 HydrophobicContact CE1-CG2 4Å; L166-V189 HydrophobicContact CB-CG1 4.06Å; L169-V189 HydrophobicContact CD1-CG2 4.4Å; C185-V189 WeakPolarHBondContact O-CG2 3.48Å; C185-V189 PolarHBondContact O-N 3.34Å; I186-V189 PolarHBondContact O-N 3.14Å; I186-V189 VanDerWaalsContact O-N 3.15Å; Q187-V189 VanDerWaalsContact C-N 3.33Å; Q187-V189 PolarHBondContact O-N 3.18Å; V189-E191 VanDerWaalsContact C-N 3.34Å; V189-E191 PolarHBondContact O-N 3.26Å; V189-A192 WeakPolarHBondContact O-CB 3.44Å; V189-A192 PolarHBondContact O-N 3.21Å; V189-V193 WeakPolarHBondContact O-CG2 3.17Å; V189-V193 PolarHBondContact O-N 3.14Å |
| 190 | S | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | I186 Q187 A192 V193 L194 F240 | I186-S190 PolarHBondContact O-N 3.36Å; I186-S190 PolarHBondContact O-OG 3.17Å; Q187-S190 PolarHBondContact O-N 2.83Å; S190-A192 VanDerWaalsContact C-N 3.33Å; S190-A192 PolarHBondContact O-N 3.29Å; S190-V193 WeakPolarHBondContact O-CB 3.31Å; S190-V193 PolarHBondContact O-N 3.01Å; S190-V193 VanDerWaalsContact O-N 3.16Å; S190-L194 WeakPolarHBondContact O-CG 3.31Å; S190-L194 PolarHBondContact O-N 3.33Å; S190-F240 WeakPolarHBondContact CB-O 3.41Å; S190-F240 PolarHBondContact OG-O 2.76Å |
| 191 | E | 98.4 | Very high | 97.8 | Very high | 65 Ų | 65 | 33.1 Ų | 33.1 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.7 | -178.4 | 58.8 | -152 | 0 | 0 | 111.3 | Q187 V189 V193 L194 V195 Q246 | Q187-E191 WeakPolarHBondContact O-CB 3.49Å; Q187-E191 PolarHBondContact O-N 2.97Å; V189-E191 VanDerWaalsContact C-N 3.34Å; V189-E191 PolarHBondContact O-N 3.26Å; E191-V193 VanDerWaalsContact C-N 3.3Å; E191-V193 PolarHBondContact O-N 2.89Å; E191-L194 PolarHBondContact O-N 3.08Å; E191-V195 WeakPolarHBondContact O-CB 3.33Å; E191-V195 VanDerWaalsContact O-CG2 3.31Å; E191-V195 WeakPolarHBondContact O-CG2 3.26Å; E191-V195 PolarHBondContact O-N 3.04Å; E191-V195 WeakPolarHBondContact OE1-CG2 3.28Å; E191-Q246 PolarHBondContact OE2-NE2 2.73Å; E191-Q246 VanDerWaalsContact OE2-NE2 3.07Å |
| 192 | A | 98 | Very high | 97.9 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | L148 Q188 V189 S190 S196 | L148-A192 HydrophobicContact CD2-CB 4.01Å; Q188-A192 PolarHBondContact O-N 3.27Å; Q188-A192 VanDerWaalsContact O-N 3.12Å; V189-A192 WeakPolarHBondContact O-CB 3.44Å; V189-A192 PolarHBondContact O-N 3.21Å; S190-A192 VanDerWaalsContact C-N 3.33Å; S190-A192 PolarHBondContact O-N 3.29Å; A192-S196 WeakPolarHBondContact O-CB 3.25Å; A192-S196 PolarHBondContact O-N 3.13Å |
| 193 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | D156 R162 V163 V189 S190 E191 S196 G197 Y214 I231 L235 | D156-V193 HydrophobicContact CB-CG1 4.39Å; R162-V193 HydrophobicContact CB-CG2 3.53Å; R162-V193 HydrophobicContact CG-CG2 4.35Å; V163-V193 HydrophobicContact CG2-CG1 4.46Å; V163-V193 HydrophobicContact CG2-CG2 4.27Å; V189-V193 WeakPolarHBondContact O-CG2 3.17Å; V189-V193 PolarHBondContact O-N 3.14Å; S190-V193 WeakPolarHBondContact O-CB 3.31Å; S190-V193 PolarHBondContact O-N 3.01Å; S190-V193 VanDerWaalsContact O-N 3.16Å; E191-V193 VanDerWaalsContact C-N 3.3Å; E191-V193 PolarHBondContact O-N 2.89Å; V193-S196 PolarHBondContact O-N 3.37Å; V193-G197 PolarHBondContact O-N 3.39Å; V193-Y214 HydrophobicContact CG1-CE1 3.86Å; V193-Y214 WeakPolarHBondContact CG1-OH 3.36Å; V193-Y214 VanDerWaalsContact O-CE1 3.28Å; V193-Y214 WeakPolarHBondContact O-CE1 3.33Å; V193-Y214 PolarHBondContact O-OH 3.18Å; V193-I231 HydrophobicContact CG1-CG2 3.7Å; V193-L235 HydrophobicContact CB-CD2 4.47Å; V193-L235 HydrophobicContact CG1-CD1 4.15Å; V193-L235 HydrophobicContact CG1-CD2 4.22Å; V193-L235 HydrophobicContact CG1-CG 4.44Å |
| 194 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.1 | -72.4 | 176.2 | 0 | 0 | 0 | 111.8 | S190 E191 G197 Q198 L212 L235 V241 L250 V251 | S190-L194 WeakPolarHBondContact O-CG 3.31Å; S190-L194 PolarHBondContact O-N 3.33Å; E191-L194 PolarHBondContact O-N 3.08Å; L194-G197 PolarHBondContact O-N 2.7Å; L194-Q198 WeakPolarHBondContact O-CG 3.13Å; L194-Q198 PolarHBondContact O-N 3.11Å; L194-Q198 PolarHBondContact O-NE2 3.33Å; L194-L212 HydrophobicContact CD2-CD1 3.69Å; L194-L212 HydrophobicContact CD2-CD2 4.18Å; L194-L235 HydrophobicContact CD2-CD1 3.89Å; L194-L235 HydrophobicContact CD2-CD2 4.19Å; L194-L235 HydrophobicContact CG-CD2 4.21Å; L194-V241 HydrophobicContact CD1-CG1 3.86Å; L194-V241 HydrophobicContact CD1-CG2 4.06Å; L194-L250 HydrophobicContact CD2-CD1 4.42Å; L194-V251 HydrophobicContact CD2-CG2 4.06Å |
| 195 | V | 97.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 178 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | E191 G197 Q198 Q199 | E191-V195 WeakPolarHBondContact O-CB 3.33Å; E191-V195 VanDerWaalsContact O-CG2 3.31Å; E191-V195 WeakPolarHBondContact O-CG2 3.26Å; E191-V195 PolarHBondContact O-N 3.04Å; E191-V195 WeakPolarHBondContact OE1-CG2 3.28Å; V195-G197 PolarHBondContact O-N 3.15Å; V195-Q198 PolarHBondContact O-N 3.13Å; V195-Q199 VanDerWaalsContact O-CG 3.27Å; V195-Q199 WeakPolarHBondContact O-CG 3.44Å; V195-Q199 PolarHBondContact O-N 3.34Å |
| 196 | S | 98 | Very high | 98.1 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 22% | 0.217 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | D156 A192 V193 Q198 Q199 L200 | D156-S196 VanDerWaalsContact OD2-CB 3.23Å; D156-S196 WeakPolarHBondContact OD2-CB 3.28Å; D156-S196 PolarHBondContact OD2-OG 2.94Å; A192-S196 WeakPolarHBondContact O-CB 3.25Å; A192-S196 PolarHBondContact O-N 3.13Å; V193-S196 PolarHBondContact O-N 3.37Å; S196-Q198 PolarHBondContact O-N 2.65Å; S196-Q199 WeakPolarHBondContact O-CB 3.39Å; S196-Q199 PolarHBondContact O-N 3.17Å; S196-Q199 VanDerWaalsContact O-N 3.14Å; S196-L200 PolarHBondContact O-N 3.28Å |
| 197 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V193 L194 V195 S201 M213 | V193-G197 PolarHBondContact O-N 3.39Å; L194-G197 PolarHBondContact O-N 2.7Å; V195-G197 PolarHBondContact O-N 3.15Å; G197-S201 WeakPolarHBondContact O-CB 3.41Å; G197-S201 PolarHBondContact O-N 3.37Å; G197-M213 WeakPolarHBondContact CA-O 3.34Å; G197-M213 PolarHBondContact O-N 3.12Å; G197-M213 VanDerWaalsContact O-N 3.08Å |
| 198 | Q | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 59.1 Ų | 59.1 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 174.4 | -73.6 | 177.4 | 67 | 0 | 0 | 111.9 | L194 V195 S196 R202 L212 L250 | L194-Q198 WeakPolarHBondContact O-CG 3.13Å; L194-Q198 PolarHBondContact O-N 3.11Å; L194-Q198 PolarHBondContact O-NE2 3.33Å; V195-Q198 PolarHBondContact O-N 3.13Å; S196-Q198 PolarHBondContact O-N 2.65Å; Q198-R202 WeakPolarHBondContact O-CB 3.35Å; Q198-R202 VanDerWaalsContact O-CG 3.23Å; Q198-R202 WeakPolarHBondContact O-CG 3.39Å; Q198-R202 PolarHBondContact O-N 3.42Å; Q198-L212 HydrophobicContact CG-CD2 3.69Å; Q198-L250 HydrophobicContact CG-CD2 4.31Å |
| 199 | Q | 97.5 | Very high | 97.5 | Very high | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 179.1 | -75.1 | 174.2 | 3.8 | 0 | 0 | 111.4 | V195 S196 R202 K203 | V195-Q199 VanDerWaalsContact O-CG 3.27Å; V195-Q199 WeakPolarHBondContact O-CG 3.44Å; V195-Q199 PolarHBondContact O-N 3.34Å; S196-Q199 WeakPolarHBondContact O-CB 3.39Å; S196-Q199 PolarHBondContact O-N 3.17Å; S196-Q199 VanDerWaalsContact O-N 3.14Å; Q199-R202 PolarHBondContact O-N 3.1Å; Q199-K203 WeakPolarHBondContact O-CB 3.31Å; Q199-K203 PolarHBondContact O-N 2.8Å |
| 200 | L | 97.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 178.3 | -175.5 | 61.7 | 0 | 0 | 0 | 111.7 | S196 R202 K203 L204 M213 E215 | S196-L200 PolarHBondContact O-N 3.28Å; L200-R202 PolarHBondContact O-N 3.42Å; L200-K203 HydrophobicContact CD1-CD 4.19Å; L200-K203 WeakPolarHBondContact O-CB 3.12Å; L200-K203 PolarHBondContact O-N 2.88Å; L200-K203 VanDerWaalsContact O-N 3.15Å; L200-L204 HydrophobicContact CD1-CD1 3.93Å; L200-L204 HydrophobicContact CD1-CG 3.98Å; L200-L204 HydrophobicContact CD2-CD1 4.48Å; L200-L204 HydrophobicContact CG-CD1 3.92Å; L200-L204 HydrophobicContact CG-CG 4.31Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 3.43Å; L200-M213 WeakPolarHBondContact CB-O 3.38Å; L200-M213 HydrophobicContact CD2-CG 4.38Å; L200-E215 HydrophobicContact CD2-CB 3.91Å; L200-E215 HydrophobicContact CD2-CG 3.67Å |
| 201 | S | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56 | -40.9 | 173.9 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | G197 L204 R205 L206 Q207 S210 P211 | G197-S201 WeakPolarHBondContact O-CB 3.41Å; G197-S201 PolarHBondContact O-N 3.37Å; S201-L204 PolarHBondContact O-N 3.41Å; S201-R205 PolarHBondContact O-N 3Å; S201-L206 PolarHBondContact O-N 3.38Å; S201-Q207 WeakPolarHBondContact OG-CA 3.3Å; S201-Q207 PolarHBondContact OG-N 3.07Å; S201-S210 PolarHBondContact OG-O 2.83Å; S201-P211 VanDerWaalsContact CB-O 3.27Å; S201-P211 WeakPolarHBondContact CB-O 3.31Å; S201-P211 PolarHBondContact OG-O 2.91Å |
| 202 | R | 98.4 | Very high | 97.5 | Very high | 141 Ų | 141 | 58 Ų | 58 | 53% | 0.532 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 175.3 | -72.1 | 172.5 | -169.7 | 154.6 | 10.2 | 113.5 | Q198 Q199 L200 L204 R205 Q207 | Q198-R202 WeakPolarHBondContact O-CB 3.35Å; Q198-R202 VanDerWaalsContact O-CG 3.23Å; Q198-R202 WeakPolarHBondContact O-CG 3.39Å; Q198-R202 PolarHBondContact O-N 3.42Å; Q199-R202 PolarHBondContact O-N 3.1Å; L200-R202 PolarHBondContact O-N 3.42Å; R202-L204 VanDerWaalsContact C-N 3.26Å; R202-L204 PolarHBondContact O-N 3.36Å; R202-R205 PolarHBondContact O-N 2.98Å; R202-R205 VanDerWaalsContact O-N 3.14Å; R202-Q207 VanDerWaalsContact CA-NE2 3.29Å; R202-Q207 HydrophobicContact CB-CG 4.46Å; R202-Q207 HydrophobicContact CG-CG 3.76Å |
| 203 | K | 97.7 | Very high | 97.6 | Very high | 155 Ų | 155 | 57.4 Ų | 57.4 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.2 | -40.5 | 177.4 | -177.5 | -175.1 | 173.2 | -165.5 | 0 | 111.4 | Q199 L200 | Q199-K203 WeakPolarHBondContact O-CB 3.31Å; Q199-K203 PolarHBondContact O-N 2.8Å; L200-K203 HydrophobicContact CD1-CD 4.19Å; L200-K203 WeakPolarHBondContact O-CB 3.12Å; L200-K203 PolarHBondContact O-N 2.88Å; L200-K203 VanDerWaalsContact O-N 3.15Å |
| 204 | L | 97.5 | Very high | 97.6 | Very high | 68 Ų | 68 | 57.8 Ų | 57.8 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.3 | 180 | -59.9 | -179.8 | 0 | 0 | 0 | 113.9 | L200 S201 R202 L206 M213 Q220 | L200-L204 HydrophobicContact CD1-CD1 3.93Å; L200-L204 HydrophobicContact CD1-CG 3.98Å; L200-L204 HydrophobicContact CD2-CD1 4.48Å; L200-L204 HydrophobicContact CG-CD1 3.92Å; L200-L204 HydrophobicContact CG-CG 4.31Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 3.43Å; S201-L204 PolarHBondContact O-N 3.41Å; R202-L204 VanDerWaalsContact C-N 3.26Å; R202-L204 PolarHBondContact O-N 3.36Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 HydrophobicContact CB-CD1 3.76Å; L204-L206 HydrophobicContact CB-CG 3.83Å; L204-L206 HydrophobicContact CD1-CD1 4.02Å; L204-L206 PolarHBondContact O-N 2.96Å; L204-M213 HydrophobicContact CD1-CG 4.14Å; L204-Q220 VanDerWaalsContact CD1-NE2 3.32Å |
| 205 | R | 97.7 | Very high | 97.5 | Very high | 214 Ų | 214 | 61.8 Ų | 61.8 | 81% | 0.808 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 39.3 | -177.4 | -54.4 | 179.6 | 179.3 | -178.7 | -0.8 | 113.5 | S201 R202 Q207 | S201-R205 PolarHBondContact O-N 3Å; R202-R205 PolarHBondContact O-N 2.98Å; R202-R205 VanDerWaalsContact O-N 3.14Å; R205-Q207 VanDerWaalsContact CA-OE1 3.24Å |
| 206 | L | 96.9 | Very high | 97.5 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | trans | -101.2 | 4.7 | -177.5 | -64.1 | 175 | 0 | 0 | 0 | 113.7 | S201 L204 N208 Q209 S210 M213 | S201-L206 PolarHBondContact O-N 3.38Å; L204-L206 VanDerWaalsContact C-N 3.32Å; L204-L206 HydrophobicContact CB-CD1 3.76Å; L204-L206 HydrophobicContact CB-CG 3.83Å; L204-L206 HydrophobicContact CD1-CD1 4.02Å; L204-L206 PolarHBondContact O-N 2.96Å; L206-N208 PolarHBondContact O-N 3.22Å; L206-N208 VanDerWaalsContact O-N 3.09Å; L206-Q209 CarbonylContact O-C 3.54Å; L206-Q209 WeakPolarHBondContact O-CA 3.44Å; L206-Q209 PolarHBondContact O-N 3.25Å; L206-S210 CarbonylContact O-C 3.6Å; L206-S210 PolarHBondContact O-N 3.02Å; L206-S210 VanDerWaalsContact O-O 3.12Å; L206-M213 HydrophobicContact CD1-CB 4.43Å; L206-M213 HydrophobicContact CD1-CE 4.06Å; L206-M213 HydrophobicContact CD1-CG 3.93Å | ||
| 207 | Q | 94.6 | Very high | 97.3 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33.8 | -169.1 | -49 | 91.8 | -36 | 0 | 0 | 113.2 | S201 R202 R205 Q209 | S201-Q207 WeakPolarHBondContact OG-CA 3.3Å; S201-Q207 PolarHBondContact OG-N 3.07Å; R202-Q207 VanDerWaalsContact CA-NE2 3.29Å; R202-Q207 HydrophobicContact CB-CG 4.46Å; R202-Q207 HydrophobicContact CG-CG 3.76Å; R205-Q207 VanDerWaalsContact CA-OE1 3.24Å; Q207-Q209 VanDerWaalsContact C-N 3.32Å |
| 208 | N | 93.5 | Very high | 97.2 | Very high | 169 Ų | 169 | 78 Ų | 78 | 90% | 0.904 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.9 | 178.3 | -64.4 | -18.2 | 0 | 0 | 0 | 113.2 | L206 | L206-N208 PolarHBondContact O-N 3.22Å; L206-N208 VanDerWaalsContact O-N 3.09Å |
| 209 | Q | 94.4 | Very high | 97.2 | Very high | 109 Ų | 109 | 80.7 Ų | 80.7 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -39.2 | 179.3 | -60.2 | -178.1 | 30.6 | 0 | 0 | 112.2 | L206 Q207 R260 | L206-Q209 CarbonylContact O-C 3.54Å; L206-Q209 WeakPolarHBondContact O-CA 3.44Å; L206-Q209 PolarHBondContact O-N 3.25Å; Q207-Q209 VanDerWaalsContact C-N 3.32Å; Q209-R260 PolarHBondContact O-NH2 2.92Å |
| 210 | S | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -156.1 | 105.7 | -177.9 | -167.1 | 0 | 0 | 0 | 0 | 108.9 | S201 L206 L212 S254 | S201-S210 PolarHBondContact OG-O 2.83Å; L206-S210 CarbonylContact O-C 3.6Å; L206-S210 PolarHBondContact O-N 3.02Å; L206-S210 VanDerWaalsContact O-O 3.12Å; S210-L212 WeakPolarHBondContact CB-O 3.27Å; S210-L212 PolarHBondContact O-N 3.11Å; S210-L212 VanDerWaalsContact O-N 3.16Å; S210-L212 PolarHBondContact OG-O 3.44Å; S210-S254 WeakPolarHBondContact OG-CA 3.39Å; S210-S254 WeakPolarHBondContact OG-CB 3.25Å; S210-S254 PolarHBondContact OG-OG 2.86Å | ||
| 211 | P | 98.6 | Very high | 97.2 | Very high | 25 Ų | 25 | 78.8 Ų | 78.8 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -58.2 | -26.7 | 179.6 | -30.1 | 38.5 | 0 | 0 | 0 | 114.3 | S201 L250 P253 S254 | S201-P211 VanDerWaalsContact CB-O 3.27Å; S201-P211 WeakPolarHBondContact CB-O 3.31Å; S201-P211 PolarHBondContact OG-O 2.91Å; P211-L250 HydrophobicContact CB-CD2 3.96Å; P211-P253 HydrophobicContact CG-CB 4.16Å; P211-P253 HydrophobicContact CG-CG 3.68Å; P211-S254 WeakPolarHBondContact CD-OG 3.44Å |
| 212 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -113 | 141.6 | 173.7 | -55.9 | 173.4 | 0 | 0 | 0 | 109.7 | L194 Q198 S210 Y214 Y232 L235 L250 V251 S254 | L194-L212 HydrophobicContact CD2-CD1 3.69Å; L194-L212 HydrophobicContact CD2-CD2 4.18Å; Q198-L212 HydrophobicContact CG-CD2 3.69Å; S210-L212 WeakPolarHBondContact CB-O 3.27Å; S210-L212 PolarHBondContact O-N 3.11Å; S210-L212 VanDerWaalsContact O-N 3.16Å; S210-L212 PolarHBondContact OG-O 3.44Å; L212-Y214 HydrophobicContact CB-CE2 4Å; L212-Y232 HydrophobicContact CB-CE1 3.88Å; L212-Y232 HydrophobicContact CD1-CE1 3.96Å; L212-Y232 PolarHBondContact O-OH 3.41Å; L212-L235 HydrophobicContact CD1-CD1 4.1Å; L212-L250 HydrophobicContact CD1-CB 4.09Å; L212-L250 HydrophobicContact CD2-CB 4.3Å; L212-L250 HydrophobicContact CG-CB 4.13Å; L212-V251 HydrophobicContact CD1-CG2 4.15Å; L212-S254 WeakPolarHBondContact CB-OG 3.42Å; L212-S254 PolarHBondContact N-OG 2.72Å | ||
| 213 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -146.9 | 147.4 | 171.4 | -173.3 | 51.6 | 59.1 | 0 | 0 | 109.9 | G197 L200 L204 L206 Q220 L228 I272 | G197-M213 WeakPolarHBondContact CA-O 3.34Å; G197-M213 PolarHBondContact O-N 3.12Å; G197-M213 VanDerWaalsContact O-N 3.08Å; L200-M213 WeakPolarHBondContact CB-O 3.38Å; L200-M213 HydrophobicContact CD2-CG 4.38Å; L204-M213 HydrophobicContact CD1-CG 4.14Å; L206-M213 HydrophobicContact CD1-CB 4.43Å; L206-M213 HydrophobicContact CD1-CE 4.06Å; L206-M213 HydrophobicContact CD1-CG 3.93Å; M213-Q220 HydrophobicContact SD-CB 4.49Å; M213-Q220 HydrophobicContact SD-CG 4.37Å; M213-L228 HydrophobicContact CE-CD1 4.16Å; M213-L228 HydrophobicContact SD-CD1 4.08Å; M213-L228 HydrophobicContact SD-CD2 3.98Å; M213-I272 HydrophobicContact CE-CD1 3.8Å; M213-I272 HydrophobicContact SD-CD1 3.86Å | ||
| 214 | Y | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | trans | -135.6 | 154.2 | -178.4 | -57 | -82.4 | 0 | 0 | 0 | 110.7 | D156 V193 L212 L228 I231 Y232 | D156-Y214 HydrophobicContact CB-CD1 3.58Å; D156-Y214 HydrophobicContact CB-CE1 3.88Å; D156-Y214 HydrophobicContact CB-CG 4.45Å; D156-Y214 WeakPolarHBondContact OD2-CD1 3.37Å; V193-Y214 HydrophobicContact CG1-CE1 3.86Å; V193-Y214 WeakPolarHBondContact CG1-OH 3.36Å; V193-Y214 VanDerWaalsContact O-CE1 3.28Å; V193-Y214 WeakPolarHBondContact O-CE1 3.33Å; V193-Y214 PolarHBondContact O-OH 3.18Å; L212-Y214 HydrophobicContact CB-CE2 4Å; Y214-L228 HydrophobicContact CD2-CD2 3.75Å; Y214-L228 HydrophobicContact CG-CD2 4.4Å; Y214-I231 HydrophobicContact CD1-CD1 3.94Å; Y214-I231 HydrophobicContact CD2-CB 4.42Å; Y214-I231 HydrophobicContact CD2-CD1 3.66Å; Y214-I231 HydrophobicContact CD2-CG2 4.01Å; Y214-I231 HydrophobicContact CE1-CG2 4.37Å; Y214-I231 HydrophobicContact CE2-CB 4.43Å; Y214-I231 HydrophobicContact CE2-CD1 4.32Å; Y214-I231 HydrophobicContact CE2-CG2 3.59Å; Y214-I231 HydrophobicContact CG-CD1 3.44Å; Y214-I231 VanDerWaalsContact CG-CD1 3.44Å; Y214-Y232 HydrophobicContact CD2-CE1 4.35Å; Y214-Y232 AromaticContact CE2-CE1 3.72Å; Y214-Y232 HydrophobicContact CE2-CE1 3.72Å | ||
| 215 | E | 97.5 | Very high | 97.4 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | trans | -139.7 | 150.1 | 175.6 | 69.8 | -170.1 | -166.7 | 0 | 0 | 110.2 | L200 E219 | L200-E215 HydrophobicContact CD2-CB 3.91Å; L200-E215 HydrophobicContact CD2-CG 3.67Å; E215-E219 VanDerWaalsContact CA-O 3.26Å; E215-E219 WeakPolarHBondContact CA-O 3.34Å | ||
| 216 | W | 97.8 | Very high | 97.4 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -142.4 | 135.7 | 171.3 | 178.7 | 80.9 | 0 | 0 | 0 | 107.2 | E157 Y160 Q218 E219 Y221 H226 | E157-W216 HydrophobicContact CG-CB 3.88Å; E157-W216 HydrophobicContact CG-CD2 4.44Å; E157-W216 HydrophobicContact CG-CG 3.76Å; Y160-W216 AromaticContact CD2-CE2 3.87Å; Y160-W216 AromaticContact CD2-CZ2 3.61Å; Y160-W216 HydrophobicContact CD2-CZ2 3.61Å; Y160-W216 AromaticContact CD2-NE1 3.79Å; Y160-W216 HydrophobicContact CE2-CH2 4.49Å; Y160-W216 AromaticContact CE2-CZ2 3.71Å; Y160-W216 HydrophobicContact CE2-CZ2 3.71Å; W216-Q218 PolarHBondContact O-N 3.23Å; W216-E219 PolarHBondContact N-O 3.1Å; W216-E219 PolarHBondContact O-N 3.13Å; W216-Y221 HydrophobicContact CB-CD2 4.19Å; W216-Y221 HydrophobicContact CD2-CE2 4.45Å; W216-Y221 AromaticContact CE3-CD2 3.92Å; W216-Y221 HydrophobicContact CE3-CD2 3.92Å; W216-Y221 AromaticContact CE3-CE2 3.38Å; W216-Y221 HydrophobicContact CE3-CE2 3.38Å; W216-Y221 AromaticContact CE3-CZ 3.94Å; W216-Y221 AromaticContact CZ3-CE2 3.97Å; W216-Y221 HydrophobicContact CZ3-CE2 3.97Å; W216-Y221 VanDerWaalsContact O-CE2 3.24Å; W216-Y221 WeakPolarHBondContact O-CE2 3.4Å; W216-H226 HydrophobicContact CD2-CB 4.34Å; W216-H226 AromaticContact CD2-ND1 3.81Å; W216-H226 AromaticContact CE2-ND1 3.89Å; W216-H226 HydrophobicContact CE3-CB 3.9Å; W216-H226 AromaticContact CE3-CG 3.66Å; W216-H226 AromaticContact CE3-ND1 3.73Å; W216-H226 AromaticContact CH2-CE1 3.6Å; W216-H226 AromaticContact CH2-ND1 3.96Å; W216-H226 AromaticContact CH2-NE2 3.87Å; W216-H226 AromaticContact CZ2-CE1 3.75Å; W216-H226 AromaticContact CZ2-ND1 3.97Å; W216-H226 HydrophobicContact CZ3-CB 4.46Å; W216-H226 AromaticContact CZ3-CD2 3.82Å; W216-H226 AromaticContact CZ3-CE1 3.81Å; W216-H226 AromaticContact CZ3-CG 3.81Å; W216-H226 AromaticContact CZ3-ND1 3.83Å; W216-H226 AromaticContact CZ3-NE2 3.86Å |
| 217 | Y | 94.7 | Very high | 97.5 | Very high | 174 Ų | 174 | 51.3 Ų | 51.3 | 68% | 0.682 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 44.7 | -174.1 | -79.9 | -104.1 | 0 | 0 | 0 | 114 | E219 | Y217-E219 PolarHBondContact O-N 3.39Š|
| 218 | Q | 95.2 | Very high | 97.7 | Very high | 184 Ų | 184 | 47.6 Ų | 47.6 | 86% | 0.86 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 12.1 | 177.5 | -52 | 174.4 | -14.2 | 0 | 0 | 114.9 | W216 | W216-Q218 PolarHBondContact O-N 3.23Š|
| 219 | E | 97.8 | Very high | 97.9 | Very high | 95 Ų | 95 | 39.5 Ų | 39.5 | 44% | 0.444 | 18% | 0.178 | S | C | . | . | B | Isolated β-bridge | trans | -122.1 | 144 | -178.6 | -67 | -67.9 | 171.5 | 0 | 0 | 111.2 | E215 W216 Y217 Y221 | E215-E219 VanDerWaalsContact CA-O 3.26Å; E215-E219 WeakPolarHBondContact CA-O 3.34Å; W216-E219 PolarHBondContact N-O 3.1Å; W216-E219 PolarHBondContact O-N 3.13Å; Y217-E219 PolarHBondContact O-N 3.39Å; E219-Y221 HydrophobicContact CB-CD2 3.9Å; E219-Y221 HydrophobicContact CB-CE2 3.52Å; E219-Y221 HydrophobicContact CG-CE2 4.36Å; E219-Y221 PolarHBondContact O-N 3.47Å |
| 220 | Q | 98.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 34.4 Ų | 34.4 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | trans | -90.4 | 76.5 | 176 | -62.5 | 173.8 | -57.8 | 0 | 0 | 109.5 | L204 M213 C271 I272 | L204-Q220 VanDerWaalsContact CD1-NE2 3.32Å; M213-Q220 HydrophobicContact SD-CB 4.49Å; M213-Q220 HydrophobicContact SD-CG 4.37Å; Q220-C271 CarbonylContact O-C 3.24Å; Q220-C271 VanDerWaalsContact O-CA 3.31Å; Q220-C271 WeakPolarHBondContact O-CA 3.43Å; Q220-I272 HydrophobicContact CB-CB 4.06Å; Q220-I272 HydrophobicContact CB-CD1 3.85Å; Q220-I272 HydrophobicContact CB-CG1 3.93Å; Q220-I272 PolarHBondContact O-N 3.09Å | ||
| 221 | Y | 98.8 | Very high | 98.2 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -62.6 | 140.5 | -179 | -76.7 | -81.2 | 0 | 0 | 0 | 112.4 | W216 E219 H226 G227 L228 P270 C271 H284 | W216-Y221 HydrophobicContact CB-CD2 4.19Å; W216-Y221 HydrophobicContact CD2-CE2 4.45Å; W216-Y221 AromaticContact CE3-CD2 3.92Å; W216-Y221 HydrophobicContact CE3-CD2 3.92Å; W216-Y221 AromaticContact CE3-CE2 3.38Å; W216-Y221 HydrophobicContact CE3-CE2 3.38Å; W216-Y221 AromaticContact CE3-CZ 3.94Å; W216-Y221 AromaticContact CZ3-CE2 3.97Å; W216-Y221 HydrophobicContact CZ3-CE2 3.97Å; W216-Y221 VanDerWaalsContact O-CE2 3.24Å; W216-Y221 WeakPolarHBondContact O-CE2 3.4Å; E219-Y221 HydrophobicContact CB-CD2 3.9Å; E219-Y221 HydrophobicContact CB-CE2 3.52Å; E219-Y221 HydrophobicContact CG-CE2 4.36Å; E219-Y221 PolarHBondContact O-N 3.47Å; Y221-H226 WeakPolarHBondContact CB-O 3.36Å; Y221-H226 HydrophobicContact CD1-CB 4.09Å; Y221-H226 HydrophobicContact CD2-CB 3.91Å; Y221-H226 HydrophobicContact CE2-CB 4.46Å; Y221-H226 HydrophobicContact CG-CB 3.7Å; Y221-G227 VanDerWaalsContact C-CA 3.49Å; Y221-G227 CarbonylContact O-C 3.04Å; Y221-G227 WeakPolarHBondContact O-CA 3.48Å; Y221-L228 WeakPolarHBondContact O-CG 3.12Å; Y221-L228 PolarHBondContact O-N 2.67Å; Y221-P270 WeakPolarHBondContact CA-O 3.25Å; Y221-C271 VanDerWaalsContact CD1-SG 3.54Å; Y221-C271 VanDerWaalsContact CE1-SG 3.59Å; Y221-H284 AromaticContact CD1-CD2 3.82Å; Y221-H284 AromaticContact CD1-NE2 3.46Å; Y221-H284 WeakPolarHBondContact CD1-NE2 3.45Å; Y221-H284 AromaticContact CE1-NE2 3.47Å; Y221-H284 WeakPolarHBondContact CE1-NE2 3.12Å |
| 222 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -99.2 | -35 | -178.1 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | A229 V258 L261 P269 P270 I272 | V222-A229 WeakPolarHBondContact O-CB 3.42Å; V222-A229 PolarHBondContact O-N 3.42Å; V222-V258 HydrophobicContact CG1-CG1 4.04Å; V222-L261 HydrophobicContact CG1-CD1 4.29Å; V222-L261 HydrophobicContact CG2-CD1 3.68Å; V222-P269 WeakPolarHBondContact CB-O 3.45Å; V222-P269 HydrophobicContact CG2-CG 4.29Å; V222-P270 PolarHBondContact N-O 3.35Å; V222-I272 HydrophobicContact CG2-CG1 4.09Å | ||
| 223 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -70.2 | -175.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G227 C283 | G223-G227 CarbonylContact O-C 2.96Å; G223-G227 WeakPolarHBondContact O-CA 3.47Å; G223-G227 PolarHBondContact O-N 3.27Å; G223-G227 VanDerWaalsContact O-N 3.15Å; G223-C283 WeakPolarHBondContact CA-O 3.15Å |
| 224 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -30.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G230 W282 C283 F404 | A224-G230 WeakPolarHBondContact O-CA 3.43Å; A224-W282 WeakPolarHBondContact CB-O 3.29Å; A224-C283 PolarHBondContact N-O 3.31Å; A224-F404 HydrophobicContact CB-CE1 4.36Å; A224-F404 HydrophobicContact CB-CE2 4.22Å; A224-F404 HydrophobicContact CB-CZ 3.86Å |
| 225 | A | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -53.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E157 L158 L159 W282 C283 | E157-A225 VanDerWaalsContact OE2-O 3.07Å; L158-A225 VanDerWaalsContact CB-O 3.26Å; L158-A225 WeakPolarHBondContact CB-O 3.46Å; L158-A225 PolarHBondContact N-O 3.24Å; L158-A225 VanDerWaalsContact N-O 3.1Å; L159-A225 HydrophobicContact CD1-CB 4.33Å; L159-A225 HydrophobicContact CD2-CB 4.43Å; L159-A225 HydrophobicContact CG-CB 4.16Å; L159-A225 PolarHBondContact N-O 2.7Å; A225-W282 HydrophobicContact CB-CE3 4.39Å; A225-W282 HydrophobicContact CB-CH2 4.12Å; A225-W282 HydrophobicContact CB-CZ3 3.81Å; A225-C283 HydrophobicContact CB-CB 3.53Å |
| 226 | H | 98.4 | Very high | 98.3 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 12% | 0.116 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 1 | -171.6 | -63.6 | -55.2 | 0 | 0 | 0 | 114 | E157 L159 Y160 W216 Y221 | E157-H226 VanDerWaalsContact CB-O 3.23Å; E157-H226 WeakPolarHBondContact CB-O 3.47Å; E157-H226 HydrophobicContact CG-CB 4.33Å; E157-H226 IonicContact OE2-CE1 3.91Å; E157-H226 IonicContact OE2-CG 3.71Å; E157-H226 IonicContact OE2-ND1 3.72Å; E157-H226 PolarHBondContact OE2-ND1 3.15Å; L159-H226 VanDerWaalsContact CD1-CE1 3.41Å; L159-H226 WeakPolarHBondContact CD1-CE1 3.45Å; Y160-H226 AromaticContact CE2-CE1 3.96Å; W216-H226 HydrophobicContact CD2-CB 4.34Å; W216-H226 AromaticContact CD2-ND1 3.81Å; W216-H226 AromaticContact CE2-ND1 3.89Å; W216-H226 HydrophobicContact CE3-CB 3.9Å; W216-H226 AromaticContact CE3-CG 3.66Å; W216-H226 AromaticContact CE3-ND1 3.73Å; W216-H226 AromaticContact CH2-CE1 3.6Å; W216-H226 AromaticContact CH2-ND1 3.96Å; W216-H226 AromaticContact CH2-NE2 3.87Å; W216-H226 AromaticContact CZ2-CE1 3.75Å; W216-H226 AromaticContact CZ2-ND1 3.97Å; W216-H226 HydrophobicContact CZ3-CB 4.46Å; W216-H226 AromaticContact CZ3-CD2 3.82Å; W216-H226 AromaticContact CZ3-CE1 3.81Å; W216-H226 AromaticContact CZ3-CG 3.81Å; W216-H226 AromaticContact CZ3-ND1 3.83Å; W216-H226 AromaticContact CZ3-NE2 3.86Å; Y221-H226 WeakPolarHBondContact CB-O 3.36Å; Y221-H226 HydrophobicContact CD1-CB 4.09Å; Y221-H226 HydrophobicContact CD2-CB 3.91Å; Y221-H226 HydrophobicContact CE2-CB 4.46Å; Y221-H226 HydrophobicContact CG-CB 3.7Å |
| 227 | G | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -132.5 | -175 | -156 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y221 G223 A229 G230 I231 | Y221-G227 VanDerWaalsContact C-CA 3.49Å; Y221-G227 CarbonylContact O-C 3.04Å; Y221-G227 WeakPolarHBondContact O-CA 3.48Å; G223-G227 CarbonylContact O-C 2.96Å; G223-G227 WeakPolarHBondContact O-CA 3.47Å; G223-G227 PolarHBondContact O-N 3.27Å; G223-G227 VanDerWaalsContact O-N 3.15Å; G227-A229 VanDerWaalsContact C-N 3.32Å; G227-A229 PolarHBondContact O-N 3.35Å; G227-G230 PolarHBondContact O-N 3.44Å; G227-I231 PolarHBondContact O-N 2.89Å |
| 228 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -53.5 | -44.5 | -175 | -61.4 | -172.9 | 0 | 0 | 0 | 112.8 | M213 Y214 Y221 G230 I231 Y232 V258 I272 | M213-L228 HydrophobicContact CE-CD1 4.16Å; M213-L228 HydrophobicContact SD-CD1 4.08Å; M213-L228 HydrophobicContact SD-CD2 3.98Å; Y214-L228 HydrophobicContact CD2-CD2 3.75Å; Y214-L228 HydrophobicContact CG-CD2 4.4Å; Y221-L228 WeakPolarHBondContact O-CG 3.12Å; Y221-L228 PolarHBondContact O-N 2.67Å; L228-G230 VanDerWaalsContact C-N 3.34Å; L228-G230 PolarHBondContact O-N 3.43Å; L228-I231 PolarHBondContact O-N 2.87Å; L228-Y232 HydrophobicContact CB-CD2 4.06Å; L228-Y232 HydrophobicContact CB-CE2 3.64Å; L228-Y232 HydrophobicContact CD1-CE2 4.33Å; L228-Y232 HydrophobicContact CD2-CE2 4.27Å; L228-Y232 HydrophobicContact CG-CE2 4.28Å; L228-Y232 WeakPolarHBondContact O-CB 3.42Å; L228-Y232 WeakPolarHBondContact O-CD2 3.24Å; L228-Y232 VanDerWaalsContact O-CG 3.27Å; L228-Y232 PolarHBondContact O-N 2.8Å; L228-V258 HydrophobicContact CB-CG2 3.57Å; L228-V258 HydrophobicContact CD1-CG2 3.74Å; L228-V258 HydrophobicContact CG-CG2 4.32Å; L228-I272 HydrophobicContact CD1-CD1 4.18Å |
| 229 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V222 G227 Y233 V289 M292 | V222-A229 WeakPolarHBondContact O-CB 3.42Å; V222-A229 PolarHBondContact O-N 3.42Å; G227-A229 VanDerWaalsContact C-N 3.32Å; G227-A229 PolarHBondContact O-N 3.35Å; A229-Y233 WeakPolarHBondContact O-CB 3.27Å; A229-Y233 PolarHBondContact O-N 3.22Å; A229-V289 HydrophobicContact CB-CB 4.39Å; A229-V289 HydrophobicContact CB-CG2 3.95Å; A229-M292 HydrophobicContact CB-CB 4.21Å; A229-M292 HydrophobicContact CB-SD 4.26Å |
| 230 | G | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A224 G227 L228 Y233 F234 | A224-G230 WeakPolarHBondContact O-CA 3.43Å; G227-G230 PolarHBondContact O-N 3.44Å; L228-G230 VanDerWaalsContact C-N 3.34Å; L228-G230 PolarHBondContact O-N 3.43Å; G230-Y233 PolarHBondContact O-N 3.46Å; G230-F234 WeakPolarHBondContact O-CD2 3.43Å; G230-F234 PolarHBondContact O-N 3.29Å |
| 231 | I | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.8 | -49.9 | 179.8 | -63 | 169.4 | 0 | 0 | 0 | 111.1 | D156 E157 V163 V193 Y214 G227 L228 Y233 F234 L235 | D156-I231 HydrophobicContact CB-CD1 3.98Å; E157-I231 HydrophobicContact CB-CD1 4.41Å; V163-I231 HydrophobicContact CG2-CB 4.39Å; V163-I231 HydrophobicContact CG2-CG1 4.12Å; V163-I231 HydrophobicContact CG2-CG2 4.23Å; V193-I231 HydrophobicContact CG1-CG2 3.7Å; Y214-I231 HydrophobicContact CD1-CD1 3.94Å; Y214-I231 HydrophobicContact CD2-CB 4.42Å; Y214-I231 HydrophobicContact CD2-CD1 3.66Å; Y214-I231 HydrophobicContact CD2-CG2 4.01Å; Y214-I231 HydrophobicContact CE1-CG2 4.37Å; Y214-I231 HydrophobicContact CE2-CB 4.43Å; Y214-I231 HydrophobicContact CE2-CD1 4.32Å; Y214-I231 HydrophobicContact CE2-CG2 3.59Å; Y214-I231 HydrophobicContact CG-CD1 3.44Å; Y214-I231 VanDerWaalsContact CG-CD1 3.44Å; G227-I231 PolarHBondContact O-N 2.89Å; L228-I231 PolarHBondContact O-N 2.87Å; I231-Y233 VanDerWaalsContact C-N 3.33Å; I231-Y233 PolarHBondContact O-N 2.99Å; I231-F234 PolarHBondContact O-N 3.33Å; I231-L235 HydrophobicContact CG2-CD1 3.99Å; I231-L235 HydrophobicContact CG2-CG 4.43Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 3.41Å |
| 232 | Y | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68 | -32.6 | -179.3 | -60.5 | -36 | 0 | 0 | 0 | 112.8 | L212 Y214 L228 F234 L235 L236 V251 S254 V255 V258 M292 | L212-Y232 HydrophobicContact CB-CE1 3.88Å; L212-Y232 HydrophobicContact CD1-CE1 3.96Å; L212-Y232 PolarHBondContact O-OH 3.41Å; Y214-Y232 HydrophobicContact CD2-CE1 4.35Å; Y214-Y232 AromaticContact CE2-CE1 3.72Å; Y214-Y232 HydrophobicContact CE2-CE1 3.72Å; L228-Y232 HydrophobicContact CB-CD2 4.06Å; L228-Y232 HydrophobicContact CB-CE2 3.64Å; L228-Y232 HydrophobicContact CD1-CE2 4.33Å; L228-Y232 HydrophobicContact CD2-CE2 4.27Å; L228-Y232 HydrophobicContact CG-CE2 4.28Å; L228-Y232 WeakPolarHBondContact O-CB 3.42Å; L228-Y232 WeakPolarHBondContact O-CD2 3.24Å; L228-Y232 VanDerWaalsContact O-CG 3.27Å; L228-Y232 PolarHBondContact O-N 2.8Å; Y232-F234 VanDerWaalsContact C-N 3.28Å; Y232-F234 PolarHBondContact O-N 3.02Å; Y232-L235 HydrophobicContact CD1-CD1 4.23Å; Y232-L235 PolarHBondContact O-N 3.49Å; Y232-L236 WeakPolarHBondContact O-CB 3.47Å; Y232-L236 VanDerWaalsContact O-CG 3.24Å; Y232-L236 WeakPolarHBondContact O-CG 3.5Å; Y232-L236 PolarHBondContact O-N 3.22Å; Y232-V251 HydrophobicContact CD1-CG1 4.39Å; Y232-S254 WeakPolarHBondContact CE2-O 3.27Å; Y232-S254 WeakPolarHBondContact OH-CB 3.39Å; Y232-V255 HydrophobicContact CD2-CG2 4.13Å; Y232-V255 HydrophobicContact CG-CG2 4.01Å; Y232-V258 HydrophobicContact CD2-CG2 3.94Å; Y232-V258 HydrophobicContact CE2-CG2 3.73Å; Y232-M292 HydrophobicContact CD2-SD 3.98Å; Y232-M292 HydrophobicContact CG-SD 4.49Å |
| 233 | Y | 98.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.3 | -43.3 | 171.7 | 170.3 | -106 | 0 | 0 | 0 | 112.2 | A229 G230 I231 Q237 Y291 Q295 F404 E405 V406 | A229-Y233 WeakPolarHBondContact O-CB 3.27Å; A229-Y233 PolarHBondContact O-N 3.22Å; G230-Y233 PolarHBondContact O-N 3.46Å; I231-Y233 VanDerWaalsContact C-N 3.33Å; I231-Y233 PolarHBondContact O-N 2.99Å; Y233-Q237 VanDerWaalsContact CE2-NE2 3.27Å; Y233-Q237 VanDerWaalsContact CZ-NE2 3.34Å; Y233-Q237 PolarHBondContact O-NE2 2.79Å; Y233-Y291 VanDerWaalsContact CD2-O 3.3Å; Y233-Y291 WeakPolarHBondContact CD2-O 3.47Å; Y233-Q295 HydrophobicContact CD2-CB 3.72Å; Y233-Q295 HydrophobicContact CD2-CG 4.22Å; Y233-Q295 HydrophobicContact CE2-CB 3.92Å; Y233-Q295 HydrophobicContact CE2-CG 4.32Å; Y233-F404 HydrophobicContact CD1-CE1 4.26Å; Y233-F404 AromaticContact CD1-CE2 3.8Å; Y233-F404 HydrophobicContact CD1-CE2 3.8Å; Y233-F404 AromaticContact CD1-CZ 3.63Å; Y233-F404 HydrophobicContact CD1-CZ 3.63Å; Y233-F404 HydrophobicContact CE1-CE1 4.38Å; Y233-F404 HydrophobicContact CE1-CE2 4.34Å; Y233-F404 HydrophobicContact CE1-CZ 4.17Å; Y233-F404 WeakPolarHBondContact CE1-O 3.04Å; Y233-F404 HydrophobicContact CG-CZ 4.07Å; Y233-E405 WeakPolarHBondContact OH-CG 3.43Å; Y233-V406 HydrophobicContact CE1-CG2 4.25Å; Y233-V406 PolarHBondContact OH-N 2.97Å |
| 234 | F | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.1 | -41.2 | 176.7 | -88.9 | -97.7 | 0 | 0 | 0 | 112.6 | L158 V163 L166 G230 I231 Y232 L236 Q237 F240 F404 V406 | L158-F234 HydrophobicContact CD1-CE2 3.84Å; L158-F234 HydrophobicContact CD1-CZ 4.21Å; V163-F234 HydrophobicContact CG1-CB 3.88Å; V163-F234 HydrophobicContact CG1-CD1 4.13Å; V163-F234 HydrophobicContact CG1-CD2 3.39Å; V163-F234 HydrophobicContact CG1-CE2 3.92Å; V163-F234 HydrophobicContact CG1-CG 3.52Å; V163-F234 HydrophobicContact CG1-CZ 4.48Å; L166-F234 HydrophobicContact CD2-CB 4.27Å; L166-F234 HydrophobicContact CD2-CD1 3.81Å; L166-F234 HydrophobicContact CD2-CG 4.45Å; L166-F234 HydrophobicContact CG-CD1 3.93Å; L166-F234 HydrophobicContact CG-CE1 4.38Å; G230-F234 WeakPolarHBondContact O-CD2 3.43Å; G230-F234 PolarHBondContact O-N 3.29Å; I231-F234 PolarHBondContact O-N 3.33Å; Y232-F234 VanDerWaalsContact C-N 3.28Å; Y232-F234 PolarHBondContact O-N 3.02Å; F234-L236 PolarHBondContact O-N 3.03Å; F234-Q237 WeakPolarHBondContact O-CB 3.26Å; F234-Q237 WeakPolarHBondContact O-CG 3.49Å; F234-Q237 PolarHBondContact O-N 2.88Å; F234-F240 HydrophobicContact CD1-CD2 4.43Å; F234-F240 AromaticContact CD1-CE2 3.93Å; F234-F240 HydrophobicContact CD1-CE2 3.93Å; F234-F240 VanDerWaalsContact O-CD2 3.25Å; F234-F240 WeakPolarHBondContact O-CD2 3.25Å; F234-F404 HydrophobicContact CD2-CE2 4.49Å; F234-F404 AromaticContact CE2-CD2 3.94Å; F234-F404 HydrophobicContact CE2-CD2 3.94Å; F234-F404 HydrophobicContact CE2-CE2 4.04Å; F234-V406 HydrophobicContact CE1-CG2 3.99Å; F234-V406 HydrophobicContact CZ-CG2 4.08Å |
| 235 | L | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -24 | 177.6 | -68.1 | 176 | 0 | 0 | 0 | 113.2 | V193 L194 L212 I231 Y232 Q237 V241 V251 | V193-L235 HydrophobicContact CB-CD2 4.47Å; V193-L235 HydrophobicContact CG1-CD1 4.15Å; V193-L235 HydrophobicContact CG1-CD2 4.22Å; V193-L235 HydrophobicContact CG1-CG 4.44Å; L194-L235 HydrophobicContact CD2-CD1 3.89Å; L194-L235 HydrophobicContact CD2-CD2 4.19Å; L194-L235 HydrophobicContact CG-CD2 4.21Å; L212-L235 HydrophobicContact CD1-CD1 4.1Å; I231-L235 HydrophobicContact CG2-CD1 3.99Å; I231-L235 HydrophobicContact CG2-CG 4.43Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 3.41Å; Y232-L235 HydrophobicContact CD1-CD1 4.23Å; Y232-L235 PolarHBondContact O-N 3.49Å; L235-Q237 VanDerWaalsContact C-N 3.32Å; L235-V241 HydrophobicContact CB-CG2 4.19Å; L235-V241 HydrophobicContact CD2-CG2 3.88Å; L235-V241 VanDerWaalsContact O-CG2 3.31Å; L235-V241 WeakPolarHBondContact O-CG2 3.26Å; L235-V251 HydrophobicContact CB-CG1 4.05Å; L235-V251 HydrophobicContact CB-CG2 4.03Å; L235-V251 HydrophobicContact CD1-CG2 4.32Å |
| 236 | L | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.1 | 173 | -71.3 | 168.1 | 0 | 0 | 0 | 113.3 | Y232 F234 V247 V251 V255 M292 Q295 A296 V299 L300 | Y232-L236 WeakPolarHBondContact O-CB 3.47Å; Y232-L236 VanDerWaalsContact O-CG 3.24Å; Y232-L236 WeakPolarHBondContact O-CG 3.5Å; Y232-L236 PolarHBondContact O-N 3.22Å; F234-L236 PolarHBondContact O-N 3.03Å; L236-V247 HydrophobicContact CD2-CG1 3.98Å; L236-V251 HydrophobicContact CD2-CG1 3.89Å; L236-V251 HydrophobicContact CG-CG1 3.86Å; L236-V255 HydrophobicContact CD1-CG2 3.97Å; L236-M292 HydrophobicContact CD1-CG 4.5Å; L236-Q295 HydrophobicContact CB-CB 4.44Å; L236-Q295 HydrophobicContact CB-CG 3.54Å; L236-Q295 HydrophobicContact CD1-CB 4.49Å; L236-Q295 HydrophobicContact CD1-CG 4.4Å; L236-Q295 PolarHBondContact O-NE2 3.25Å; L236-A296 HydrophobicContact CD1-CB 3.91Å; L236-V299 HydrophobicContact CD2-CG1 4.42Å; L236-V299 VanDerWaalsContact O-CG2 3.31Å; L236-V299 WeakPolarHBondContact O-CG2 3.47Å; L236-L300 HydrophobicContact CD2-CD1 4.37Å; L236-L300 HydrophobicContact CD2-CG 4.46Å |
| 237 | Q | 98.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -68.9 | 137.7 | 176.6 | -64.7 | -55.1 | -46.3 | 0 | 0 | 110.8 | Y233 F234 L235 G239 F240 Q295 V406 | Y233-Q237 VanDerWaalsContact CE2-NE2 3.27Å; Y233-Q237 VanDerWaalsContact CZ-NE2 3.34Å; Y233-Q237 PolarHBondContact O-NE2 2.79Å; F234-Q237 WeakPolarHBondContact O-CB 3.26Å; F234-Q237 WeakPolarHBondContact O-CG 3.49Å; F234-Q237 PolarHBondContact O-N 2.88Å; L235-Q237 VanDerWaalsContact C-N 3.32Å; Q237-G239 PolarHBondContact O-N 3.01Å; Q237-F240 HydrophobicContact CB-CB 4.22Å; Q237-F240 HydrophobicContact CB-CD1 3.76Å; Q237-F240 HydrophobicContact CB-CD2 3.5Å; Q237-F240 VanDerWaalsContact CB-CD2 3.5Å; Q237-F240 HydrophobicContact CB-CE1 3.84Å; Q237-F240 HydrophobicContact CB-CE2 3.55Å; Q237-F240 HydrophobicContact CB-CG 3.58Å; Q237-F240 HydrophobicContact CB-CZ 3.71Å; Q237-F240 HydrophobicContact CG-CD2 4.01Å; Q237-F240 HydrophobicContact CG-CE2 3.73Å; Q237-F240 HydrophobicContact CG-CZ 4.07Å; Q237-F240 WeakPolarHBondContact O-CB 3.11Å; Q237-F240 PolarHBondContact O-N 2.61Å; Q237-F240 VanDerWaalsContact O-N 3.11Å; Q237-Q295 VanDerWaalsContact NE2-CD 3.27Å; Q237-V406 HydrophobicContact CG-CB 4.34Å; Q237-V406 HydrophobicContact CG-CG1 4.44Å; Q237-V406 HydrophobicContact CG-CG2 4.46Å |
| 238 | P | 95.8 | Very high | 97.9 | Very high | 101 Ų | 101 | 34.4 Ų | 34.4 | 66% | 0.656 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 127 | -177.5 | -26.6 | 35.1 | 0 | 0 | 0 | 112.4 | F240 | P238-F240 VanDerWaalsContact C-N 3.25Å; P238-F240 PolarHBondContact O-N 3.13Å |
| 239 | G | 95.9 | Very high | 97.9 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -6.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q187 Q237 | Q187-G239 VanDerWaalsContact CG-O 3.28Å; Q187-G239 WeakPolarHBondContact CG-O 3.47Å; Q187-G239 PolarHBondContact NE2-O 3.44Å; Q237-G239 PolarHBondContact O-N 3.01Å |
| 240 | F | 97.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 41 Ų | 41 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -38.7 | -178.9 | -78.5 | 28.4 | 0 | 0 | 0 | 111.7 | L166 V170 I186 Q187 S190 F234 Q237 P238 V406 | L166-F240 HydrophobicContact CD1-CD2 4.41Å; L166-F240 HydrophobicContact CD1-CE2 4.39Å; L166-F240 HydrophobicContact CD2-CD2 3.89Å; L166-F240 HydrophobicContact CD2-CE2 4.25Å; L166-F240 HydrophobicContact CG-CD2 4.41Å; L166-F240 HydrophobicContact CG-CE2 4.34Å; V170-F240 HydrophobicContact CB-CZ 4.35Å; V170-F240 HydrophobicContact CG1-CZ 4.12Å; V170-F240 HydrophobicContact CG2-CE1 4.26Å; V170-F240 HydrophobicContact CG2-CE2 3.53Å; V170-F240 HydrophobicContact CG2-CZ 3.25Å; I186-F240 HydrophobicContact CG2-CB 4.12Å; I186-F240 HydrophobicContact CG2-CD1 3.59Å; I186-F240 HydrophobicContact CG2-CD2 4.08Å; I186-F240 HydrophobicContact CG2-CE1 4.05Å; I186-F240 HydrophobicContact CG2-CG 3.63Å; Q187-F240 WeakPolarHBondContact CA-O 3.21Å; S190-F240 WeakPolarHBondContact CB-O 3.41Å; S190-F240 PolarHBondContact OG-O 2.76Å; F234-F240 HydrophobicContact CD1-CD2 4.43Å; F234-F240 AromaticContact CD1-CE2 3.93Å; F234-F240 HydrophobicContact CD1-CE2 3.93Å; F234-F240 VanDerWaalsContact O-CD2 3.25Å; F234-F240 WeakPolarHBondContact O-CD2 3.25Å; Q237-F240 HydrophobicContact CB-CB 4.22Å; Q237-F240 HydrophobicContact CB-CD1 3.76Å; Q237-F240 HydrophobicContact CB-CD2 3.5Å; Q237-F240 VanDerWaalsContact CB-CD2 3.5Å; Q237-F240 HydrophobicContact CB-CE1 3.84Å; Q237-F240 HydrophobicContact CB-CE2 3.55Å; Q237-F240 HydrophobicContact CB-CG 3.58Å; Q237-F240 HydrophobicContact CB-CZ 3.71Å; Q237-F240 HydrophobicContact CG-CD2 4.01Å; Q237-F240 HydrophobicContact CG-CE2 3.73Å; Q237-F240 HydrophobicContact CG-CZ 4.07Å; Q237-F240 WeakPolarHBondContact O-CB 3.11Å; Q237-F240 PolarHBondContact O-N 2.61Å; Q237-F240 VanDerWaalsContact O-N 3.11Å; P238-F240 VanDerWaalsContact C-N 3.25Å; P238-F240 PolarHBondContact O-N 3.13Å; F240-V406 HydrophobicContact CZ-CG1 4.38Å |
| 241 | V | 98.3 | Very high | 97.9 | Very high | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -91 | 134.4 | 165.3 | 175 | 0 | 0 | 0 | 0 | 108 | L194 L235 T243 Q246 V247 | L194-V241 HydrophobicContact CD1-CG1 3.86Å; L194-V241 HydrophobicContact CD1-CG2 4.06Å; L235-V241 HydrophobicContact CB-CG2 4.19Å; L235-V241 HydrophobicContact CD2-CG2 3.88Å; L235-V241 VanDerWaalsContact O-CG2 3.31Å; L235-V241 WeakPolarHBondContact O-CG2 3.26Å; V241-T243 VanDerWaalsContact C-N 3.26Å; V241-T243 PolarHBondContact O-N 3.41Å; V241-Q246 HydrophobicContact CG1-CB 3.59Å; V241-V247 HydrophobicContact CB-CG2 3.79Å; V241-V247 HydrophobicContact CG1-CG2 3.87Å; V241-V247 HydrophobicContact CG2-CG2 4.36Å |
| 242 | S | 95.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 43 Ų | 43 | 44% | 0.441 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -66.4 | -25.2 | -168.9 | -55.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 243 | T | 96.6 | Very high | 97.9 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | trans | -135.9 | 142.6 | -177.3 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | V241 E245 Q246 V247 | V241-T243 VanDerWaalsContact C-N 3.26Å; V241-T243 PolarHBondContact O-N 3.41Å; T243-E245 PolarHBondContact O-N 2.71Å; T243-Q246 PolarHBondContact O-N 3.22Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.47Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.39Å; T243-Q246 PolarHBondContact OG1-N 2.92Å; T243-Q246 PolarHBondContact OG1-OE1 3.42Å; T243-V247 PolarHBondContact O-N 3.36Å | ||
| 244 | E | 96.1 | Very high | 97.9 | Very high | 151 Ų | 151 | 44.2 Ų | 44.2 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.4 | -34.4 | 173.7 | -171.4 | 177.8 | 174.5 | 0 | 0 | 111.6 | Q246 V247 L248 | E244-Q246 PolarHBondContact O-N 3.19Å; E244-V247 WeakPolarHBondContact O-CB 3.17Å; E244-V247 PolarHBondContact O-N 3.4Å; E244-V247 VanDerWaalsContact O-N 3.08Å; E244-L248 HydrophobicContact CG-CD1 4.25Å; E244-L248 HydrophobicContact CG-CG 4.43Å; E244-L248 WeakPolarHBondContact O-CG 3.47Å; E244-L248 PolarHBondContact O-N 2.95Å |
| 245 | E | 97.8 | Very high | 97.9 | Very high | 120 Ų | 120 | 44.2 Ų | 44.2 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58.8 | -44.6 | 176.2 | -174.7 | 177.3 | -174.2 | 0 | 0 | 112.2 | T243 V247 L248 Q249 | T243-E245 PolarHBondContact O-N 2.71Å; E245-V247 VanDerWaalsContact C-N 3.29Å; E245-V247 PolarHBondContact O-N 2.96Å; E245-L248 PolarHBondContact O-N 3.04Å; E245-Q249 HydrophobicContact CG-CG 4.18Å; E245-Q249 VanDerWaalsContact CG-NE2 3.31Å; E245-Q249 WeakPolarHBondContact O-CB 3.25Å; E245-Q249 WeakPolarHBondContact O-CG 3.23Å; E245-Q249 PolarHBondContact O-N 3.05Å; E245-Q249 PolarHBondContact OE1-NE2 3.03Å |
| 246 | Q | 97.9 | Very high | 97.8 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 174.8 | -76.7 | 172.9 | -58.4 | 0 | 0 | 111.9 | E191 V241 T243 E244 L250 V251 | E191-Q246 PolarHBondContact OE2-NE2 2.73Å; E191-Q246 VanDerWaalsContact OE2-NE2 3.07Å; V241-Q246 HydrophobicContact CG1-CB 3.59Å; T243-Q246 PolarHBondContact O-N 3.22Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.47Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.39Å; T243-Q246 PolarHBondContact OG1-N 2.92Å; T243-Q246 PolarHBondContact OG1-OE1 3.42Å; E244-Q246 PolarHBondContact O-N 3.19Å; Q246-L250 HydrophobicContact CB-CD1 4.43Å; Q246-L250 HydrophobicContact CG-CD1 4.44Å; Q246-L250 VanDerWaalsContact O-CB 3.23Å; Q246-L250 WeakPolarHBondContact O-CB 3.18Å; Q246-L250 PolarHBondContact O-N 3.23Å; Q246-V251 PolarHBondContact O-N 3.15Å |
| 247 | V | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -62.8 | -49.4 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | L236 V241 T243 E244 E245 V251 Q252 L300 | L236-V247 HydrophobicContact CD2-CG1 3.98Å; V241-V247 HydrophobicContact CB-CG2 3.79Å; V241-V247 HydrophobicContact CG1-CG2 3.87Å; V241-V247 HydrophobicContact CG2-CG2 4.36Å; T243-V247 PolarHBondContact O-N 3.36Å; E244-V247 WeakPolarHBondContact O-CB 3.17Å; E244-V247 PolarHBondContact O-N 3.4Å; E244-V247 VanDerWaalsContact O-N 3.08Å; E245-V247 VanDerWaalsContact C-N 3.29Å; E245-V247 PolarHBondContact O-N 2.96Å; V247-V251 HydrophobicContact CG1-CB 4.37Å; V247-V251 WeakPolarHBondContact O-CA 3.16Å; V247-V251 WeakPolarHBondContact O-CB 3.2Å; V247-V251 PolarHBondContact O-N 3.41Å; V247-Q252 PolarHBondContact O-N 3.34Å; V247-L300 HydrophobicContact CG1-CD2 4.27Å |
| 248 | L | 98.3 | Very high | 97.9 | Very high | 79 Ų | 79 | 47 Ų | 47 | 41% | 0.414 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -68.5 | -39.4 | -178.2 | -66.2 | 176.5 | 0 | 0 | 0 | 112.9 | E244 E245 Q252 P253 L300 | E244-L248 HydrophobicContact CG-CD1 4.25Å; E244-L248 HydrophobicContact CG-CG 4.43Å; E244-L248 WeakPolarHBondContact O-CG 3.47Å; E244-L248 PolarHBondContact O-N 2.95Å; E245-L248 PolarHBondContact O-N 3.04Å; L248-Q252 VanDerWaalsContact CD2-OE1 3.29Å; L248-P253 VanDerWaalsContact O-CD 3.22Å; L248-P253 WeakPolarHBondContact O-CD 3.36Å; L248-L300 HydrophobicContact CD2-CD2 3.98Å |
| 249 | Q | 98 | Very high | 98 | Very high | 114 Ų | 114 | 42.4 Ų | 42.4 | 53% | 0.533 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -86.1 | -28.5 | -175.4 | -68.4 | -179.3 | 2 | 0 | 0 | 114 | E245 P253 | E245-Q249 HydrophobicContact CG-CG 4.18Å; E245-Q249 VanDerWaalsContact CG-NE2 3.31Å; E245-Q249 WeakPolarHBondContact O-CB 3.25Å; E245-Q249 WeakPolarHBondContact O-CG 3.23Å; E245-Q249 PolarHBondContact O-N 3.05Å; E245-Q249 PolarHBondContact OE1-NE2 3.03Å; Q249-P253 VanDerWaalsContact O-CG 3.28Å; Q249-P253 WeakPolarHBondContact O-CG 3.49Å |
| 250 | L | 98.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -112.1 | -50.4 | -175.2 | -55.6 | 175.5 | 0 | 0 | 0 | 112.2 | L194 Q198 P211 L212 Q246 S254 | L194-L250 HydrophobicContact CD2-CD1 4.42Å; Q198-L250 HydrophobicContact CG-CD2 4.31Å; P211-L250 HydrophobicContact CB-CD2 3.96Å; L212-L250 HydrophobicContact CD1-CB 4.09Å; L212-L250 HydrophobicContact CD2-CB 4.3Å; L212-L250 HydrophobicContact CG-CB 4.13Å; Q246-L250 HydrophobicContact CB-CD1 4.43Å; Q246-L250 HydrophobicContact CG-CD1 4.44Å; Q246-L250 VanDerWaalsContact O-CB 3.23Å; Q246-L250 WeakPolarHBondContact O-CB 3.18Å; Q246-L250 PolarHBondContact O-N 3.23Å; L250-S254 WeakPolarHBondContact O-CB 3.41Å; L250-S254 PolarHBondContact O-OG 3.32Å |
| 251 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -78.9 | -51.5 | -169.9 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | L194 L212 Y232 L235 L236 Q246 V247 S254 V255 | L194-V251 HydrophobicContact CD2-CG2 4.06Å; L212-V251 HydrophobicContact CD1-CG2 4.15Å; Y232-V251 HydrophobicContact CD1-CG1 4.39Å; L235-V251 HydrophobicContact CB-CG1 4.05Å; L235-V251 HydrophobicContact CB-CG2 4.03Å; L235-V251 HydrophobicContact CD1-CG2 4.32Å; L236-V251 HydrophobicContact CD2-CG1 3.89Å; L236-V251 HydrophobicContact CG-CG1 3.86Å; Q246-V251 PolarHBondContact O-N 3.15Å; V247-V251 HydrophobicContact CG1-CB 4.37Å; V247-V251 WeakPolarHBondContact O-CA 3.16Å; V247-V251 WeakPolarHBondContact O-CB 3.2Å; V247-V251 PolarHBondContact O-N 3.41Å; V251-S254 WeakPolarHBondContact O-CB 3.25Å; V251-S254 PolarHBondContact O-N 3.05Å; V251-S254 VanDerWaalsContact O-N 3.11Å; V251-V255 HydrophobicContact CG1-CG2 4.21Å; V251-V255 WeakPolarHBondContact O-CG2 3.15Å; V251-V255 PolarHBondContact O-N 3.03Å |
| 252 | Q | 98.7 | Very high | 98.1 | Very high | 44 Ų | 44 | 52 Ų | 52 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.2 | -55.5 | -179.9 | 172.2 | 176.8 | -5.7 | 0 | 0 | 113.6 | V247 L248 S254 V255 E256 L300 | V247-Q252 PolarHBondContact O-N 3.34Å; L248-Q252 VanDerWaalsContact CD2-OE1 3.29Å; Q252-S254 PolarHBondContact O-N 3.43Å; Q252-V255 WeakPolarHBondContact O-CB 3.21Å; Q252-V255 PolarHBondContact O-N 3.34Å; Q252-V255 VanDerWaalsContact O-N 3.09Å; Q252-E256 PolarHBondContact NE2-OE1 3.44Å; Q252-E256 WeakPolarHBondContact O-CG 3.08Å; Q252-E256 PolarHBondContact O-N 3.26Å; Q252-L300 HydrophobicContact CB-CD1 3.94Å; Q252-L300 HydrophobicContact CB-CD2 4.29Å; Q252-L300 HydrophobicContact CG-CD1 3.84Å |
| 253 | P | 98.7 | Very high | 98.3 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -25.9 | -179.8 | 22.4 | -34.2 | 0 | 0 | 0 | 113.1 | P211 L248 Q249 H257 | P211-P253 HydrophobicContact CG-CB 4.16Å; P211-P253 HydrophobicContact CG-CG 3.68Å; L248-P253 VanDerWaalsContact O-CD 3.22Å; L248-P253 WeakPolarHBondContact O-CD 3.36Å; Q249-P253 VanDerWaalsContact O-CG 3.28Å; Q249-P253 WeakPolarHBondContact O-CG 3.49Å; P253-H257 PolarHBondContact O-N 2.97Å |
| 254 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -77.6 | -34.4 | 175.1 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | S210 P211 L212 Y232 L250 V251 Q252 E256 H257 V258 | S210-S254 WeakPolarHBondContact OG-CA 3.39Å; S210-S254 WeakPolarHBondContact OG-CB 3.25Å; S210-S254 PolarHBondContact OG-OG 2.86Å; P211-S254 WeakPolarHBondContact CD-OG 3.44Å; L212-S254 WeakPolarHBondContact CB-OG 3.42Å; L212-S254 PolarHBondContact N-OG 2.72Å; Y232-S254 WeakPolarHBondContact CE2-O 3.27Å; Y232-S254 WeakPolarHBondContact OH-CB 3.39Å; L250-S254 WeakPolarHBondContact O-CB 3.41Å; L250-S254 PolarHBondContact O-OG 3.32Å; V251-S254 WeakPolarHBondContact O-CB 3.25Å; V251-S254 PolarHBondContact O-N 3.05Å; V251-S254 VanDerWaalsContact O-N 3.11Å; Q252-S254 PolarHBondContact O-N 3.43Å; S254-E256 VanDerWaalsContact C-N 3.34Å; S254-H257 WeakPolarHBondContact O-CB 3.42Å; S254-H257 PolarHBondContact O-N 3.29Å; S254-V258 PolarHBondContact O-N 2.64Å |
| 255 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 167.7 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | Y232 L236 V251 Q252 H257 V258 C259 M292 A296 Y305 | Y232-V255 HydrophobicContact CD2-CG2 4.13Å; Y232-V255 HydrophobicContact CG-CG2 4.01Å; L236-V255 HydrophobicContact CD1-CG2 3.97Å; V251-V255 HydrophobicContact CG1-CG2 4.21Å; V251-V255 WeakPolarHBondContact O-CG2 3.15Å; V251-V255 PolarHBondContact O-N 3.03Å; Q252-V255 WeakPolarHBondContact O-CB 3.21Å; Q252-V255 PolarHBondContact O-N 3.34Å; Q252-V255 VanDerWaalsContact O-N 3.09Å; V255-H257 PolarHBondContact O-N 3.31Å; V255-V258 WeakPolarHBondContact O-CB 3.28Å; V255-V258 PolarHBondContact O-N 2.65Å; V255-V258 VanDerWaalsContact O-N 3.1Å; V255-C259 PolarHBondContact O-N 2.85Å; V255-C259 PolarHBondContact O-SG 3.23Å; V255-M292 HydrophobicContact CB-SD 4.38Å; V255-M292 HydrophobicContact CG1-CE 3.89Å; V255-M292 HydrophobicContact CG1-CG 4.42Å; V255-M292 HydrophobicContact CG1-SD 4.06Å; V255-M292 HydrophobicContact CG2-CG 4.29Å; V255-M292 HydrophobicContact CG2-SD 4.06Å; V255-A296 HydrophobicContact CG1-CB 4.09Å; V255-Y305 HydrophobicContact CG1-CE1 3.95Å |
| 256 | E | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -33.1 | 175.8 | -68.7 | 174.8 | -174 | 0 | 0 | 112.1 | Q252 S254 C259 R260 | Q252-E256 PolarHBondContact NE2-OE1 3.44Å; Q252-E256 WeakPolarHBondContact O-CG 3.08Å; Q252-E256 PolarHBondContact O-N 3.26Å; S254-E256 VanDerWaalsContact C-N 3.34Å; E256-C259 PolarHBondContact O-N 3.4Å; E256-R260 WeakPolarHBondContact O-CG 3.43Å; E256-R260 PolarHBondContact O-N 3.46Å; E256-R260 VanDerWaalsContact O-N 3.12Å; E256-R260 PolarHBondContact O-NH1 3.34Å |
| 257 | H | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 7% | 0.069 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 171 | 178.1 | 80.8 | 0 | 0 | 0 | 111.4 | P253 S254 V255 C259 R260 L261 | P253-H257 PolarHBondContact O-N 2.97Å; S254-H257 WeakPolarHBondContact O-CB 3.42Å; S254-H257 PolarHBondContact O-N 3.29Å; V255-H257 PolarHBondContact O-N 3.31Å; H257-C259 VanDerWaalsContact C-N 3.32Å; H257-C259 PolarHBondContact O-N 3.29Å; H257-R260 VanDerWaalsContact CA-NH2 3.3Å; H257-R260 WeakPolarHBondContact O-CB 3.15Å; H257-R260 PolarHBondContact O-N 3.34Å; H257-R260 VanDerWaalsContact O-N 3.13Å; H257-L261 PolarHBondContact O-N 3.46Å |
| 258 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | V222 L228 Y232 S254 V255 R260 L261 Y268 V289 M292 | V222-V258 HydrophobicContact CG1-CG1 4.04Å; L228-V258 HydrophobicContact CB-CG2 3.57Å; L228-V258 HydrophobicContact CD1-CG2 3.74Å; L228-V258 HydrophobicContact CG-CG2 4.32Å; Y232-V258 HydrophobicContact CD2-CG2 3.94Å; Y232-V258 HydrophobicContact CE2-CG2 3.73Å; S254-V258 PolarHBondContact O-N 2.64Å; V255-V258 WeakPolarHBondContact O-CB 3.28Å; V255-V258 PolarHBondContact O-N 2.65Å; V255-V258 VanDerWaalsContact O-N 3.1Å; V258-R260 PolarHBondContact O-N 3.15Å; V258-L261 WeakPolarHBondContact O-CB 3.36Å; V258-L261 PolarHBondContact O-N 3.43Å; V258-Y268 HydrophobicContact CG1-CD1 4.46Å; V258-Y268 HydrophobicContact CG1-CE1 4.42Å; V258-Y268 WeakPolarHBondContact O-CE1 3.34Å; V258-V289 HydrophobicContact CG1-CG1 4.37Å; V258-M292 HydrophobicContact CB-CE 3.95Å; V258-M292 HydrophobicContact CB-SD 4.2Å; V258-M292 HydrophobicContact CG1-CE 3.66Å; V258-M292 HydrophobicContact CG1-SD 4.15Å; V258-M292 HydrophobicContact CG2-SD 4.39Å |
| 259 | C | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -35.3 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | V255 E256 H257 L261 R262 E308 | V255-C259 PolarHBondContact O-N 2.85Å; V255-C259 PolarHBondContact O-SG 3.23Å; E256-C259 PolarHBondContact O-N 3.4Å; H257-C259 VanDerWaalsContact C-N 3.32Å; H257-C259 PolarHBondContact O-N 3.29Å; C259-L261 VanDerWaalsContact C-N 3.28Å; C259-L261 PolarHBondContact O-N 3.34Å; C259-R262 WeakPolarHBondContact O-CB 3.43Å; C259-R262 PolarHBondContact O-N 3.39Å; C259-E308 WeakPolarHBondContact CB-OE2 3.42Å |
| 260 | R | 98.1 | Very high | 98.4 | Very high | 134 Ų | 134 | 32.4 Ų | 32.4 | 51% | 0.506 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.8 | -18 | 176.8 | -70.7 | -176.2 | -68.6 | -90.7 | 6.5 | 114 | Q209 E256 H257 V258 R262 | Q209-R260 PolarHBondContact O-NH2 2.92Å; E256-R260 WeakPolarHBondContact O-CG 3.43Å; E256-R260 PolarHBondContact O-N 3.46Å; E256-R260 VanDerWaalsContact O-N 3.12Å; E256-R260 PolarHBondContact O-NH1 3.34Å; H257-R260 VanDerWaalsContact CA-NH2 3.3Å; H257-R260 WeakPolarHBondContact O-CB 3.15Å; H257-R260 PolarHBondContact O-N 3.34Å; H257-R260 VanDerWaalsContact O-N 3.13Å; V258-R260 PolarHBondContact O-N 3.15Å; R260-R262 PolarHBondContact O-N 3.42Å |
| 261 | L | 98.4 | Very high | 98.4 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 19% | 0.194 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.8 | 179 | -59 | 174.9 | 0 | 0 | 0 | 113.4 | V222 H257 V258 C259 F263 P269 I272 | V222-L261 HydrophobicContact CG1-CD1 4.29Å; V222-L261 HydrophobicContact CG2-CD1 3.68Å; H257-L261 PolarHBondContact O-N 3.46Å; V258-L261 WeakPolarHBondContact O-CB 3.36Å; V258-L261 PolarHBondContact O-N 3.43Å; C259-L261 VanDerWaalsContact C-N 3.28Å; C259-L261 PolarHBondContact O-N 3.34Å; L261-F263 PolarHBondContact O-N 3.4Å; L261-P269 HydrophobicContact CB-CG 4.19Å; L261-P269 WeakPolarHBondContact O-CD 3.16Å; L261-I272 HydrophobicContact CD1-CD1 4.37Å; L261-I272 HydrophobicContact CD1-CG1 3.82Å; L261-I272 HydrophobicContact CD2-CG2 4.44Å |
| 262 | R | 98.1 | Very high | 98.4 | Very high | 93 Ų | 93 | 33.7 Ų | 33.7 | 35% | 0.351 | 17% | 0.173 | S | C | . | . | trans | -58.6 | 132.9 | -177 | -168 | 178.2 | 66.8 | 178.1 | -5.1 | 111.6 | C259 R260 N267 Y268 | C259-R262 WeakPolarHBondContact O-CB 3.43Å; C259-R262 PolarHBondContact O-N 3.39Å; R260-R262 PolarHBondContact O-N 3.42Å; R262-N267 WeakPolarHBondContact CG-O 3.42Å; R262-Y268 HydrophobicContact CB-CD1 4.25Å; R262-Y268 HydrophobicContact CB-CE1 3.71Å; R262-Y268 HydrophobicContact CB-CE2 4.49Å; R262-Y268 HydrophobicContact CG-CE1 4.13Å; R262-Y268 HydrophobicContact CG-CE2 4.01Å | ||
| 263 | F | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | trans | -68.3 | 160.5 | 172.5 | -70.1 | -53 | 0 | 0 | 0 | 112 | L261 S265 G266 N267 P269 D274 D277 | L261-F263 PolarHBondContact O-N 3.4Å; F263-S265 PolarHBondContact O-N 2.98Å; F263-G266 PolarHBondContact O-N 3.47Å; F263-N267 HydrophobicContact CD2-CB 4.35Å; F263-N267 PolarHBondContact N-O 3.27Å; F263-P269 HydrophobicContact CE1-CB 4.31Å; F263-P269 VanDerWaalsContact CE2-CA 3.46Å; F263-P269 HydrophobicContact CE2-CB 3.83Å; F263-P269 HydrophobicContact CZ-CB 3.53Å; F263-P269 HydrophobicContact CZ-CG 4.31Å; F263-D274 WeakPolarHBondContact CE1-O 3.34Å; F263-D274 WeakPolarHBondContact CZ-O 3.49Å; F263-D277 HydrophobicContact CD2-CB 3.65Å; F263-D277 VanDerWaalsContact CD2-CG 3.44Å; F263-D277 HydrophobicContact CE2-CB 3.76Å; F263-D277 HydrophobicContact CG-CB 4.04Å; F263-D277 HydrophobicContact CZ-CB 4.26Å | ||
| 264 | P | 97.5 | Very high | 98.1 | Very high | 144 Ų | 144 | 35.2 Ų | 35.2 | 94% | 0.935 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.1 | 172.6 | -26.9 | 35.7 | 0 | 0 | 0 | 114.2 | G266 | P264-G266 VanDerWaalsContact C-N 3.26Å; P264-G266 PolarHBondContact O-N 3.45Å |
| 265 | S | 97.4 | Very high | 98 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14 | 176.5 | 68.9 | 0 | 0 | 0 | 0 | 114.7 | M1 F263 N267 D277 V315 | M1-S265 VanDerWaalsContact CE-CB 3.42Å; M1-S265 WeakPolarHBondContact CE-OG 3.19Å; F263-S265 PolarHBondContact O-N 2.98Å; S265-N267 WeakPolarHBondContact OG-CB 3.48Å; S265-N267 PolarHBondContact OG-N 2.97Å; S265-N267 VanDerWaalsContact OG-N 3.12Å; S265-D277 WeakPolarHBondContact CB-OD2 3.26Å; S265-D277 PolarHBondContact OG-OD2 2.75Å; S265-V315 WeakPolarHBondContact O-CG2 3.41Å |
| 266 | G | 97.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 92.3 | -9.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F263 P264 | F263-G266 PolarHBondContact O-N 3.47Å; P264-G266 VanDerWaalsContact C-N 3.26Å; P264-G266 PolarHBondContact O-N 3.45Å |
| 267 | N | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -79.3 | 175.5 | 176.2 | -164.5 | 22.3 | 0 | 0 | 0 | 111.9 | M1 R262 F263 S265 D277 L279 G285 A286 V315 | M1-N267 HydrophobicContact SD-CB 4.03Å; R262-N267 WeakPolarHBondContact CG-O 3.42Å; F263-N267 HydrophobicContact CD2-CB 4.35Å; F263-N267 PolarHBondContact N-O 3.27Å; S265-N267 WeakPolarHBondContact OG-CB 3.48Å; S265-N267 PolarHBondContact OG-N 2.97Å; S265-N267 VanDerWaalsContact OG-N 3.12Å; N267-D277 WeakPolarHBondContact CB-OD1 3.3Å; N267-D277 PolarHBondContact ND2-OD1 3.4Å; N267-L279 PolarHBondContact ND2-O 2.92Å; N267-L279 PolarHBondContact OD1-O 3.21Å; N267-G285 WeakPolarHBondContact OD1-CA 3.44Å; N267-A286 WeakPolarHBondContact OD1-CB 3.36Å; N267-A286 PolarHBondContact OD1-N 3.12Å; N267-V315 HydrophobicContact CB-CG1 3.91Å; N267-V315 HydrophobicContact CB-CG2 4.42Å | ||
| 268 | Y | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | trans | -123.9 | 146.5 | 179.6 | -68.6 | -98.3 | 0 | 0 | 0 | 111.6 | V258 R262 V289 E308 | V258-Y268 HydrophobicContact CG1-CD1 4.46Å; V258-Y268 HydrophobicContact CG1-CE1 4.42Å; V258-Y268 WeakPolarHBondContact O-CE1 3.34Å; R262-Y268 HydrophobicContact CB-CD1 4.25Å; R262-Y268 HydrophobicContact CB-CE1 3.71Å; R262-Y268 HydrophobicContact CB-CE2 4.49Å; R262-Y268 HydrophobicContact CG-CE1 4.13Å; R262-Y268 HydrophobicContact CG-CE2 4.01Å; Y268-V289 HydrophobicContact CD1-CG1 4.11Å; Y268-V289 HydrophobicContact CD1-CG2 4.31Å; Y268-V289 HydrophobicContact CD2-CB 3.91Å; Y268-V289 HydrophobicContact CD2-CG1 3.88Å; Y268-V289 HydrophobicContact CD2-CG2 4Å; Y268-V289 HydrophobicContact CE1-CG1 3.92Å; Y268-V289 HydrophobicContact CE2-CB 4.14Å; Y268-V289 HydrophobicContact CE2-CG1 3.7Å; Y268-V289 HydrophobicContact CG-CB 4.2Å; Y268-V289 HydrophobicContact CG-CG1 4.09Å; Y268-V289 HydrophobicContact CG-CG2 3.82Å; Y268-E308 PolarHBondContact OH-OE2 3.33Å; Y268-E308 VanDerWaalsContact OH-OE2 3.13Å | ||
| 269 | P | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | trans | -67.8 | 156.3 | 177.4 | 27.7 | -34.6 | 0 | 0 | 0 | 111.7 | V222 L261 F263 C271 D274 | V222-P269 WeakPolarHBondContact CB-O 3.45Å; V222-P269 HydrophobicContact CG2-CG 4.29Å; L261-P269 HydrophobicContact CB-CG 4.19Å; L261-P269 WeakPolarHBondContact O-CD 3.16Å; F263-P269 HydrophobicContact CE1-CB 4.31Å; F263-P269 VanDerWaalsContact CE2-CA 3.46Å; F263-P269 HydrophobicContact CE2-CB 3.83Å; F263-P269 HydrophobicContact CZ-CB 3.53Å; F263-P269 HydrophobicContact CZ-CG 4.31Å; P269-C271 WeakPolarHBondContact CB-O 3.39Å; P269-D274 HydrophobicContact CB-CB 3.95Å | ||
| 270 | P | 98.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -64.6 | -45.1 | 171.8 | -20.2 | 33.7 | 0 | 0 | 0 | 112.2 | Y221 V222 L279 H284 | Y221-P270 WeakPolarHBondContact CA-O 3.25Å; V222-P270 PolarHBondContact N-O 3.35Å; P270-L279 HydrophobicContact CB-CD1 4.22Å; P270-L279 HydrophobicContact CG-CD1 3.69Å; P270-L279 HydrophobicContact CG-CG 4.12Å; P270-H284 HydrophobicContact CB-CB 4.28Å |
| 271 | C | 98.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -128.9 | 158.7 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | Q220 Y221 P269 G273 D274 | Q220-C271 CarbonylContact O-C 3.24Å; Q220-C271 VanDerWaalsContact O-CA 3.31Å; Q220-C271 WeakPolarHBondContact O-CA 3.43Å; Y221-C271 VanDerWaalsContact CD1-SG 3.54Å; Y221-C271 VanDerWaalsContact CE1-SG 3.59Å; P269-C271 WeakPolarHBondContact CB-O 3.39Å; C271-G273 PolarHBondContact O-N 3.5Å; C271-D274 WeakPolarHBondContact O-CB 3.44Å; C271-D274 PolarHBondContact O-N 3.47Å |
| 272 | I | 98.2 | Very high | 97.5 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 23% | 0.226 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 131.5 | 170.8 | -60.8 | -179 | 0 | 0 | 0 | 109.4 | M213 Q220 V222 L228 L261 | M213-I272 HydrophobicContact CE-CD1 3.8Å; M213-I272 HydrophobicContact SD-CD1 3.86Å; Q220-I272 HydrophobicContact CB-CB 4.06Å; Q220-I272 HydrophobicContact CB-CD1 3.85Å; Q220-I272 HydrophobicContact CB-CG1 3.93Å; Q220-I272 PolarHBondContact O-N 3.09Å; V222-I272 HydrophobicContact CG2-CG1 4.09Å; L228-I272 HydrophobicContact CD1-CD1 4.18Å; L261-I272 HydrophobicContact CD1-CD1 4.37Å; L261-I272 HydrophobicContact CD1-CG1 3.82Å; L261-I272 HydrophobicContact CD2-CG2 4.44Å |
| 273 | G | 96.3 | Very high | 97.5 | Very high | 76 Ų | 76 | 39.8 Ų | 39.8 | 78% | 0.784 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -7.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C271 | C271-G273 PolarHBondContact O-N 3.5Š|
| 274 | D | 95.9 | Very high | 97.5 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | trans | -70.8 | 130.7 | 170.8 | -101.5 | -43.8 | 0 | 0 | 0 | 111.3 | F263 P269 C271 R276 | F263-D274 WeakPolarHBondContact CE1-O 3.34Å; F263-D274 WeakPolarHBondContact CZ-O 3.49Å; P269-D274 HydrophobicContact CB-CB 3.95Å; C271-D274 WeakPolarHBondContact O-CB 3.44Å; C271-D274 PolarHBondContact O-N 3.47Å; D274-R276 IonicContact OD1-CZ 3.34Å; D274-R276 IonicContact OD1-NE 3.15Å; D274-R276 PolarHBondContact OD1-NE 2.92Å; D274-R276 VanDerWaalsContact OD1-NE 3.15Å; D274-R276 IonicContact OD1-NH2 2.7Å; D274-R276 PolarHBondContact OD1-NH2 2.96Å; D274-R276 IonicContact OD2-NH2 3.63Å | ||
| 275 | D | 95.5 | Very high | 97.6 | Very high | 135 Ų | 135 | 33 Ų | 33 | 72% | 0.722 | 19% | 0.186 | S | C | * | . | trans | -99.8 | -2.6 | 175 | 64.4 | -5.8 | 0 | 0 | 0 | 113.1 | D277 | D275-D277 PolarHBondContact O-N 3Å; D275-D277 VanDerWaalsContact O-N 3.16Å | ||
| 276 | R | 94.6 | Very high | 97.6 | Very high | 143 Ų | 143 | 31.3 Ų | 31.3 | 54% | 0.54 | 17% | 0.174 | S | C | . | . | trans | -85.1 | 89.9 | -173.6 | -65.2 | 172.6 | -65.6 | 175.4 | 1.9 | 112.1 | D274 Q278 | D274-R276 IonicContact OD1-CZ 3.34Å; D274-R276 IonicContact OD1-NE 3.15Å; D274-R276 PolarHBondContact OD1-NE 2.92Å; D274-R276 VanDerWaalsContact OD1-NE 3.15Å; D274-R276 IonicContact OD1-NH2 2.7Å; D274-R276 PolarHBondContact OD1-NH2 2.96Å; D274-R276 IonicContact OD2-NH2 3.63Å; R276-Q278 HydrophobicContact CB-CG 4.47Å; R276-Q278 PolarHBondContact O-N 3.41Å | ||
| 277 | D | 96.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 31 Ų | 31 | 19% | 0.193 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 85.6 | 174.8 | -168.2 | 1 | 0 | 0 | 0 | 112.6 | M1 F263 S265 N267 D275 | M1-D277 VanDerWaalsContact CE-OD2 3.29Å; M1-D277 WeakPolarHBondContact CE-OD2 3.35Å; M1-D277 VanDerWaalsContact CG-O 3.25Å; M1-D277 WeakPolarHBondContact CG-O 3.28Å; M1-D277 WeakPolarHBondContact CG-OD1 3.46Å; M1-D277 PolarHBondContact N-O 3.46Å; F263-D277 HydrophobicContact CD2-CB 3.65Å; F263-D277 VanDerWaalsContact CD2-CG 3.44Å; F263-D277 HydrophobicContact CE2-CB 3.76Å; F263-D277 HydrophobicContact CG-CB 4.04Å; F263-D277 HydrophobicContact CZ-CB 4.26Å; S265-D277 WeakPolarHBondContact CB-OD2 3.26Å; S265-D277 PolarHBondContact OG-OD2 2.75Å; N267-D277 WeakPolarHBondContact CB-OD1 3.3Å; N267-D277 PolarHBondContact ND2-OD1 3.4Å; D275-D277 PolarHBondContact O-N 3Å; D275-D277 VanDerWaalsContact O-N 3.16Å |
| 278 | Q | 94.9 | Very high | 97.7 | Very high | 70 Ų | 70 | 31 Ų | 31 | 33% | 0.327 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | -33.9 | -172.9 | -61.7 | -170.2 | 6.4 | 0 | 0 | 115.5 | R276 | R276-Q278 HydrophobicContact CB-CG 4.47Å; R276-Q278 PolarHBondContact O-N 3.41Å |
| 279 | L | 97.9 | Very high | 97.7 | Very high | 38 Ų | 38 | 31 Ų | 31 | 20% | 0.199 | 17% | 0.171 | C | C | . | . | trans | -92.5 | 119.7 | -170.6 | -53.6 | -169.1 | 0 | 0 | 0 | 109.9 | N267 P270 H284 | N267-L279 PolarHBondContact ND2-O 2.92Å; N267-L279 PolarHBondContact OD1-O 3.21Å; P270-L279 HydrophobicContact CB-CD1 4.22Å; P270-L279 HydrophobicContact CG-CD1 3.69Å; P270-L279 HydrophobicContact CG-CG 4.12Å; L279-H284 CarbonylContact C-O 3.56Å; L279-H284 HydrophobicContact CB-CB 4.11Å; L279-H284 WeakPolarHBondContact CB-O 3.25Å; L279-H284 HydrophobicContact CD1-CB 3.76Å | ||
| 280 | V | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | trans | -120.1 | 68.8 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | M1 P287 V315 V316 W319 L322 N335 | M1-V280 HydrophobicContact CG-CG2 4.18Å; M1-V280 HydrophobicContact SD-CG2 3.7Å; V280-P287 HydrophobicContact CG1-CG 3.73Å; V280-V315 HydrophobicContact CG1-CG1 4.17Å; V280-V315 HydrophobicContact CG2-CG1 4.19Å; V280-V316 HydrophobicContact CG1-CG2 4.26Å; V280-W319 HydrophobicContact CG2-CB 4.01Å; V280-L322 HydrophobicContact CB-CD2 4.44Å; V280-N335 PolarHBondContact O-ND2 3.08Å; V280-N335 PolarHBondContact O-OD1 2.89Å | ||
| 281 | H | 98.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -125.8 | 159.6 | -174.5 | -54.1 | 156.6 | 0 | 0 | 0 | 110.5 | C283 H284 P287 L322 H330 | H281-C283 VanDerWaalsContact C-N 3.31Å; H281-H284 WeakPolarHBondContact CB-O 3.29Å; H281-H284 PolarHBondContact N-O 3.36Å; H281-H284 CarbonylContact O-C 3.52Å; H281-H284 VanDerWaalsContact O-C 3.29Å; H281-H284 PolarHBondContact O-N 3.23Å; H281-H284 VanDerWaalsContact O-O 3.07Å; H281-P287 WeakPolarHBondContact O-CD 3.44Å; H281-L322 WeakPolarHBondContact CD2-CD1 3.18Å; H281-H330 HydrophobicContact CB-CB 3.71Å |
| 282 | W | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -61.1 | -43.3 | 167.8 | 166.6 | 82.7 | 0 | 0 | 0 | 111 | L110 L158 L159 A224 A225 H284 G288 C329 F380 F401 F404 | L110-W282 HydrophobicContact CD1-CH2 4.25Å; L158-W282 HydrophobicContact CD2-CH2 3.58Å; L158-W282 HydrophobicContact CD2-CZ2 3.42Å; L158-W282 VanDerWaalsContact CD2-CZ2 3.42Å; L159-W282 HydrophobicContact CD2-CH2 4.21Å; A224-W282 WeakPolarHBondContact CB-O 3.29Å; A225-W282 HydrophobicContact CB-CE3 4.39Å; A225-W282 HydrophobicContact CB-CH2 4.12Å; A225-W282 HydrophobicContact CB-CZ3 3.81Å; W282-H284 VanDerWaalsContact C-N 3.33Å; W282-H284 PolarHBondContact O-N 3.24Å; W282-G288 WeakPolarHBondContact O-CA 3.23Å; W282-C329 HydrophobicContact CE3-CB 4.39Å; W282-C329 PolarHBondContact N-O 3.47Å; W282-F380 HydrophobicContact CE3-CE1 4.32Å; W282-F380 HydrophobicContact CH2-CD1 4.43Å; W282-F380 AromaticContact CH2-CE1 3.72Å; W282-F380 HydrophobicContact CH2-CE1 3.72Å; W282-F380 HydrophobicContact CZ2-CE1 4.35Å; W282-F380 HydrophobicContact CZ3-CD1 4Å; W282-F380 AromaticContact CZ3-CE1 3.71Å; W282-F380 HydrophobicContact CZ3-CE1 3.71Å; W282-F401 HydrophobicContact CB-CE2 3.87Å; W282-F401 HydrophobicContact CB-CZ 3.94Å; W282-F401 AromaticContact CD1-CE2 3.64Å; W282-F401 AromaticContact CD1-CZ 3.64Å; W282-F401 AromaticContact CD2-CE1 3.92Å; W282-F401 HydrophobicContact CD2-CE1 3.92Å; W282-F401 HydrophobicContact CD2-CE2 4.29Å; W282-F401 AromaticContact CD2-CZ 3.58Å; W282-F401 HydrophobicContact CD2-CZ 3.58Å; W282-F401 AromaticContact CE2-CE1 3.71Å; W282-F401 AromaticContact CE2-CZ 3.85Å; W282-F401 HydrophobicContact CE3-CZ 4.2Å; W282-F401 HydrophobicContact CG-CD2 4.47Å; W282-F401 HydrophobicContact CG-CE1 4.12Å; W282-F401 AromaticContact CG-CE2 3.65Å; W282-F401 HydrophobicContact CG-CE2 3.65Å; W282-F401 AromaticContact CG-CZ 3.44Å; W282-F401 HydrophobicContact CG-CZ 3.44Å; W282-F401 VanDerWaalsContact CG-CZ 3.44Å; W282-F401 HydrophobicContact CZ2-CE1 4.13Å; W282-F401 AromaticContact NE1-CE1 3.79Å; W282-F401 AromaticContact NE1-CZ 3.88Å; W282-F404 HydrophobicContact CZ2-CB 4Å; W282-F404 HydrophobicContact CZ2-CD1 4.43Å; W282-F404 HydrophobicContact CZ2-CD2 4.05Å; W282-F404 AromaticContact CZ2-CG 3.89Å; W282-F404 HydrophobicContact CZ2-CG 3.89Å; W282-F404 AromaticContact NE1-CD1 3.35Å; W282-F404 AromaticContact NE1-CE1 3.68Å; W282-F404 AromaticContact NE1-CG 3.72Å |
| 283 | C | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.054 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -65.5 | -35.1 | -179.9 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | G223 A224 A225 H281 C329 | G223-C283 WeakPolarHBondContact CA-O 3.15Å; A224-C283 PolarHBondContact N-O 3.31Å; A225-C283 HydrophobicContact CB-CB 3.53Å; H281-C283 VanDerWaalsContact C-N 3.31Å; C283-C329 PolarHBondContact N-O 3Å; C283-C329 VanDerWaalsContact N-O 3.15Å; C283-C329 PolarHBondContact SG-O 2.95Å; C283-C329 VanDerWaalsContact SG-SG 3.67Å |
| 284 | H | 98.5 | Very high | 98 | Very high | 28 Ų | 28 | 24.5 Ų | 24.5 | 13% | 0.13 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -147.3 | 117.7 | -176.6 | -53.6 | 92 | 0 | 0 | 0 | 110.7 | Y221 P270 L279 H281 W282 | Y221-H284 AromaticContact CD1-CD2 3.82Å; Y221-H284 AromaticContact CD1-NE2 3.46Å; Y221-H284 WeakPolarHBondContact CD1-NE2 3.45Å; Y221-H284 AromaticContact CE1-NE2 3.47Å; Y221-H284 WeakPolarHBondContact CE1-NE2 3.12Å; P270-H284 HydrophobicContact CB-CB 4.28Å; L279-H284 CarbonylContact C-O 3.56Å; L279-H284 HydrophobicContact CB-CB 4.11Å; L279-H284 WeakPolarHBondContact CB-O 3.25Å; L279-H284 HydrophobicContact CD1-CB 3.76Å; H281-H284 WeakPolarHBondContact CB-O 3.29Å; H281-H284 PolarHBondContact N-O 3.36Å; H281-H284 CarbonylContact O-C 3.52Å; H281-H284 VanDerWaalsContact O-C 3.29Å; H281-H284 PolarHBondContact O-N 3.23Å; H281-H284 VanDerWaalsContact O-O 3.07Å; W282-H284 VanDerWaalsContact C-N 3.33Å; W282-H284 PolarHBondContact O-N 3.24Å |
| 285 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 114.6 | -171.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | N267 P287 G288 V289 | N267-G285 WeakPolarHBondContact OD1-CA 3.44Å; G285-P287 VanDerWaalsContact C-N 3.34Å; G285-G288 PolarHBondContact O-N 3.03Å; G285-G288 VanDerWaalsContact O-N 3.07Å; G285-V289 WeakPolarHBondContact O-CG2 3.36Å; G285-V289 PolarHBondContact O-N 3.41Å |
| 286 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -48.4 | -41.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N267 G288 V289 V290 C312 V315 | N267-A286 WeakPolarHBondContact OD1-CB 3.36Å; N267-A286 PolarHBondContact OD1-N 3.12Å; A286-G288 PolarHBondContact O-N 3.29Å; A286-V289 PolarHBondContact O-N 3.28Å; A286-V290 PolarHBondContact O-N 2.87Å; A286-C312 HydrophobicContact CB-CB 3.86Å; A286-V315 HydrophobicContact CB-CB 4.15Å; A286-V315 HydrophobicContact CB-CG1 3.92Å |
| 287 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.2 | -24.3 | -179.1 | -17.6 | 26.5 | 0 | 0 | 0 | 114.6 | V280 H281 G285 V290 Y291 V316 N335 T338 | V280-P287 HydrophobicContact CG1-CG 3.73Å; H281-P287 WeakPolarHBondContact O-CD 3.44Å; G285-P287 VanDerWaalsContact C-N 3.34Å; P287-V290 WeakPolarHBondContact O-CG1 3.24Å; P287-Y291 WeakPolarHBondContact O-CE2 2.97Å; P287-V316 HydrophobicContact CB-CG2 4.23Å; P287-V316 HydrophobicContact CG-CG2 3.68Å; P287-N335 WeakPolarHBondContact CB-OD1 3.13Å; P287-N335 WeakPolarHBondContact CG-OD1 3.47Å; P287-T338 WeakPolarHBondContact CA-OG1 3.36Å |
| 288 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -89.6 | -38.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | W282 G285 A286 V290 Y291 | W282-G288 WeakPolarHBondContact O-CA 3.23Å; G285-G288 PolarHBondContact O-N 3.03Å; G285-G288 VanDerWaalsContact O-N 3.07Å; A286-G288 PolarHBondContact O-N 3.29Å; G288-V290 VanDerWaalsContact C-N 3.3Å; G288-V290 PolarHBondContact O-N 3.05Å; G288-Y291 WeakPolarHBondContact O-CD2 2.99Å |
| 289 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.1 | -29.6 | -176.3 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | A229 V258 Y268 G285 A286 Y291 M292 L293 | A229-V289 HydrophobicContact CB-CB 4.39Å; A229-V289 HydrophobicContact CB-CG2 3.95Å; V258-V289 HydrophobicContact CG1-CG1 4.37Å; Y268-V289 HydrophobicContact CD1-CG1 4.11Å; Y268-V289 HydrophobicContact CD1-CG2 4.31Å; Y268-V289 HydrophobicContact CD2-CB 3.91Å; Y268-V289 HydrophobicContact CD2-CG1 3.88Å; Y268-V289 HydrophobicContact CD2-CG2 4Å; Y268-V289 HydrophobicContact CE1-CG1 3.92Å; Y268-V289 HydrophobicContact CE2-CB 4.14Å; Y268-V289 HydrophobicContact CE2-CG1 3.7Å; Y268-V289 HydrophobicContact CG-CB 4.2Å; Y268-V289 HydrophobicContact CG-CG1 4.09Å; Y268-V289 HydrophobicContact CG-CG2 3.82Å; G285-V289 WeakPolarHBondContact O-CG2 3.36Å; G285-V289 PolarHBondContact O-N 3.41Å; A286-V289 PolarHBondContact O-N 3.28Å; V289-Y291 PolarHBondContact O-N 3.03Å; V289-Y291 VanDerWaalsContact O-N 3.1Å; V289-M292 HydrophobicContact CG1-CE 4.16Å; V289-M292 WeakPolarHBondContact O-CB 3.37Å; V289-M292 PolarHBondContact O-N 2.79Å; V289-M292 VanDerWaalsContact O-N 3.1Å; V289-L293 HydrophobicContact CG1-CD1 4.08Å; V289-L293 HydrophobicContact CG1-CG 4.23Å; V289-L293 PolarHBondContact O-N 3.08Å |
| 290 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -51.8 | -36.6 | 179.9 | 71.8 | 0 | 0 | 0 | 0 | 113 | A286 P287 G288 L293 L294 A309 C312 T338 L342 | A286-V290 PolarHBondContact O-N 2.87Å; P287-V290 WeakPolarHBondContact O-CG1 3.24Å; G288-V290 VanDerWaalsContact C-N 3.3Å; G288-V290 PolarHBondContact O-N 3.05Å; V290-L293 PolarHBondContact O-N 3.29Å; V290-L294 HydrophobicContact CG2-CD1 3.99Å; V290-L294 HydrophobicContact CG2-CG 4.17Å; V290-L294 VanDerWaalsContact O-CG 3.25Å; V290-L294 WeakPolarHBondContact O-CG 3.26Å; V290-L294 PolarHBondContact O-N 3.48Å; V290-A309 HydrophobicContact CG2-CB 4.04Å; V290-C312 HydrophobicContact CB-CB 4Å; V290-C312 HydrophobicContact CG2-CB 4.08Å; V290-T338 HydrophobicContact CB-CG2 4.26Å; V290-T338 HydrophobicContact CG1-CG2 4.07Å; V290-T338 HydrophobicContact CG2-CG2 4.08Å; V290-L342 HydrophobicContact CG2-CD2 4.39Å; V290-L342 HydrophobicContact CG2-CG 4.44Å |
| 291 | Y | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | -178.1 | -63.2 | -85.8 | 0 | 0 | 0 | 112.5 | Y233 P287 G288 V289 L293 L294 Q295 Y337 F401 F404 E405 | Y233-Y291 VanDerWaalsContact CD2-O 3.3Å; Y233-Y291 WeakPolarHBondContact CD2-O 3.47Å; P287-Y291 WeakPolarHBondContact O-CE2 2.97Å; G288-Y291 WeakPolarHBondContact O-CD2 2.99Å; V289-Y291 PolarHBondContact O-N 3.03Å; V289-Y291 VanDerWaalsContact O-N 3.1Å; Y291-L293 VanDerWaalsContact C-N 3.31Å; Y291-L293 PolarHBondContact O-N 3.04Å; Y291-L294 PolarHBondContact O-N 2.89Å; Y291-Q295 WeakPolarHBondContact O-CB 3.46Å; Y291-Q295 PolarHBondContact O-N 2.99Å; Y291-Y337 WeakPolarHBondContact OH-CB 3.42Å; Y291-F401 HydrophobicContact CE1-CB 4.26Å; Y291-F401 WeakPolarHBondContact OH-CB 3.48Å; Y291-F401 WeakPolarHBondContact OH-CD2 3.17Å; Y291-F404 HydrophobicContact CD1-CE1 4.14Å; Y291-F404 HydrophobicContact CD2-CD1 4.27Å; Y291-F404 AromaticContact CD2-CE1 3.54Å; Y291-F404 HydrophobicContact CD2-CE1 3.54Å; Y291-F404 HydrophobicContact CD2-CZ 4.49Å; Y291-F404 HydrophobicContact CE2-CD1 4.46Å; Y291-F404 HydrophobicContact CE2-CE1 4.14Å; Y291-F404 HydrophobicContact CG-CD1 4.32Å; Y291-F404 AromaticContact CG-CE1 3.53Å; Y291-F404 HydrophobicContact CG-CE1 3.53Å; Y291-F404 HydrophobicContact CG-CZ 4.44Å; Y291-E405 HydrophobicContact CD1-CG 4.05Å; Y291-E405 HydrophobicContact CE1-CB 4.39Å; Y291-E405 HydrophobicContact CE1-CG 4.08Å; Y291-E405 WeakPolarHBondContact CE1-OE2 3.43Å |
| 292 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.1 | -175.3 | -160.7 | 67 | 0 | 0 | 110.4 | A229 Y232 L236 V255 V258 V289 Q295 A296 | A229-M292 HydrophobicContact CB-CB 4.21Å; A229-M292 HydrophobicContact CB-SD 4.26Å; Y232-M292 HydrophobicContact CD2-SD 3.98Å; Y232-M292 HydrophobicContact CG-SD 4.49Å; L236-M292 HydrophobicContact CD1-CG 4.5Å; V255-M292 HydrophobicContact CB-SD 4.38Å; V255-M292 HydrophobicContact CG1-CE 3.89Å; V255-M292 HydrophobicContact CG1-CG 4.42Å; V255-M292 HydrophobicContact CG1-SD 4.06Å; V255-M292 HydrophobicContact CG2-CG 4.29Å; V255-M292 HydrophobicContact CG2-SD 4.06Å; V258-M292 HydrophobicContact CB-CE 3.95Å; V258-M292 HydrophobicContact CB-SD 4.2Å; V258-M292 HydrophobicContact CG1-CE 3.66Å; V258-M292 HydrophobicContact CG1-SD 4.15Å; V258-M292 HydrophobicContact CG2-SD 4.39Å; V289-M292 HydrophobicContact CG1-CE 4.16Å; V289-M292 WeakPolarHBondContact O-CB 3.37Å; V289-M292 PolarHBondContact O-N 2.79Å; V289-M292 VanDerWaalsContact O-N 3.1Å; M292-Q295 PolarHBondContact O-N 3.27Å; M292-A296 VanDerWaalsContact O-CB 3.24Å; M292-A296 WeakPolarHBondContact O-CB 3.18Å; M292-A296 PolarHBondContact O-N 3.33Å |
| 293 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | -179.7 | -64.4 | 169.9 | 0 | 0 | 0 | 112.2 | V289 V290 Y291 Q295 A296 Y297 Y305 E308 A309 | V289-L293 HydrophobicContact CG1-CD1 4.08Å; V289-L293 HydrophobicContact CG1-CG 4.23Å; V289-L293 PolarHBondContact O-N 3.08Å; V290-L293 PolarHBondContact O-N 3.29Å; Y291-L293 VanDerWaalsContact C-N 3.31Å; Y291-L293 PolarHBondContact O-N 3.04Å; L293-Q295 VanDerWaalsContact C-N 3.31Å; L293-Q295 PolarHBondContact O-N 3.46Å; L293-A296 PolarHBondContact O-N 3.44Å; L293-Y297 PolarHBondContact O-N 3.08Å; L293-Y305 HydrophobicContact CD2-CD1 4.31Å; L293-Y305 WeakPolarHBondContact O-CB 3.42Å; L293-E308 HydrophobicContact CD1-CB 3.94Å; L293-E308 HydrophobicContact CD2-CB 4.11Å; L293-A309 HydrophobicContact CB-CB 3.88Å; L293-A309 HydrophobicContact CD1-CB 4.42Å |
| 294 | L | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.8 | -66.8 | 172.7 | 0 | 0 | 0 | 111.6 | V290 Y291 K298 L306 A309 L342 L345 | V290-L294 HydrophobicContact CG2-CD1 3.99Å; V290-L294 HydrophobicContact CG2-CG 4.17Å; V290-L294 VanDerWaalsContact O-CG 3.25Å; V290-L294 WeakPolarHBondContact O-CG 3.26Å; V290-L294 PolarHBondContact O-N 3.48Å; Y291-L294 PolarHBondContact O-N 2.89Å; L294-K298 WeakPolarHBondContact O-CG 3.21Å; L294-K298 PolarHBondContact O-N 3.22Å; L294-K298 VanDerWaalsContact O-N 3.15Å; L294-L306 HydrophobicContact CD2-CD1 4.38Å; L294-A309 HydrophobicContact CD2-CB 3.75Å; L294-A309 HydrophobicContact CG-CB 4.12Å; L294-L342 HydrophobicContact CD2-CD2 3.9Å; L294-L345 HydrophobicContact CD2-CB 4.39Å; L294-L345 HydrophobicContact CD2-CD2 3.35Å; L294-L345 HydrophobicContact CG-CD2 4.49Å |
| 295 | Q | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 176.4 | -171.3 | 62.6 | 22.4 | 0 | 0 | 111.8 | Y233 L236 Q237 Y291 M292 L293 Y297 K298 V299 | Y233-Q295 HydrophobicContact CD2-CB 3.72Å; Y233-Q295 HydrophobicContact CD2-CG 4.22Å; Y233-Q295 HydrophobicContact CE2-CB 3.92Å; Y233-Q295 HydrophobicContact CE2-CG 4.32Å; L236-Q295 HydrophobicContact CB-CB 4.44Å; L236-Q295 HydrophobicContact CB-CG 3.54Å; L236-Q295 HydrophobicContact CD1-CB 4.49Å; L236-Q295 HydrophobicContact CD1-CG 4.4Å; L236-Q295 PolarHBondContact O-NE2 3.25Å; Q237-Q295 VanDerWaalsContact NE2-CD 3.27Å; Y291-Q295 WeakPolarHBondContact O-CB 3.46Å; Y291-Q295 PolarHBondContact O-N 2.99Å; M292-Q295 PolarHBondContact O-N 3.27Å; L293-Q295 VanDerWaalsContact C-N 3.31Å; L293-Q295 PolarHBondContact O-N 3.46Å; Q295-Y297 VanDerWaalsContact C-N 3.32Å; Q295-Y297 PolarHBondContact O-N 2.92Å; Q295-K298 PolarHBondContact O-N 3.06Å; Q295-V299 HydrophobicContact CG-CG2 4.36Å; Q295-V299 VanDerWaalsContact NE2-CG2 3.3Å; Q295-V299 WeakPolarHBondContact O-CG2 3.38Å; Q295-V299 PolarHBondContact O-N 3.22Å |
| 296 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L236 V255 M292 L293 V299 L300 Y305 | L236-A296 HydrophobicContact CD1-CB 3.91Å; V255-A296 HydrophobicContact CG1-CB 4.09Å; M292-A296 VanDerWaalsContact O-CB 3.24Å; M292-A296 WeakPolarHBondContact O-CB 3.18Å; M292-A296 PolarHBondContact O-N 3.33Å; L293-A296 PolarHBondContact O-N 3.44Å; A296-V299 PolarHBondContact O-N 2.95Å; A296-L300 HydrophobicContact CB-CD1 4.2Å; A296-L300 WeakPolarHBondContact O-CA 3.25Å; A296-L300 WeakPolarHBondContact O-CB 3.33Å; A296-L300 WeakPolarHBondContact O-CG 3.1Å; A296-L300 PolarHBondContact O-N 3.48Å; A296-Y305 HydrophobicContact CB-CD1 3.98Å; A296-Y305 HydrophobicContact CB-CD2 3.78Å; A296-Y305 HydrophobicContact CB-CE1 4.24Å; A296-Y305 HydrophobicContact CB-CE2 4.05Å; A296-Y305 HydrophobicContact CB-CG 3.75Å |
| 297 | Y | 98.8 | Very high | 98.5 | Very high | 74 Ų | 74 | 37.5 Ų | 37.5 | 29% | 0.29 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.4 | -49 | 173.3 | 174.7 | -106.4 | 0 | 0 | 0 | 112.2 | L293 Q295 V299 G301 N302 L306 L345 | L293-Y297 PolarHBondContact O-N 3.08Å; Q295-Y297 VanDerWaalsContact C-N 3.32Å; Q295-Y297 PolarHBondContact O-N 2.92Å; Y297-V299 VanDerWaalsContact C-N 3.29Å; Y297-V299 PolarHBondContact O-N 3.38Å; Y297-G301 VanDerWaalsContact O-CA 3.3Å; Y297-G301 WeakPolarHBondContact O-CA 3.42Å; Y297-G301 PolarHBondContact O-N 3.45Å; Y297-N302 WeakPolarHBondContact CD2-O 3.49Å; Y297-L306 HydrophobicContact CD1-CB 4.41Å; Y297-L306 HydrophobicContact CD2-CB 3.71Å; Y297-L306 HydrophobicContact CE1-CD2 4.13Å; Y297-L306 HydrophobicContact CE2-CB 4.01Å; Y297-L306 HydrophobicContact CE2-CD2 4.21Å; Y297-L306 HydrophobicContact CG-CB 3.91Å; Y297-L345 HydrophobicContact CD1-CD1 4.07Å; Y297-L345 HydrophobicContact CD1-CD2 3.64Å; Y297-L345 HydrophobicContact CD1-CG 4.29Å; Y297-L345 HydrophobicContact CE1-CD1 4.15Å; Y297-L345 HydrophobicContact CE1-CD2 4.1Å; Y297-L345 HydrophobicContact CE1-CG 4.36Å |
| 298 | K | 98.4 | Very high | 98.5 | Very high | 121 Ų | 121 | 37.8 Ų | 37.8 | 53% | 0.526 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.5 | -37.4 | -178.8 | -73.6 | 173.3 | -177.8 | 177.9 | 0 | 113.1 | L294 Q295 L345 | L294-K298 WeakPolarHBondContact O-CG 3.21Å; L294-K298 PolarHBondContact O-N 3.22Å; L294-K298 VanDerWaalsContact O-N 3.15Å; Q295-K298 PolarHBondContact O-N 3.06Å; K298-L345 HydrophobicContact CD-CD1 4.44Å; K298-L345 HydrophobicContact CG-CD1 3.91Å |
| 299 | V | 98 | Very high | 98.5 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 38% | 0.376 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -94 | -41.4 | -171.2 | 175.6 | 0 | 0 | 0 | 0 | 112 | L236 Q295 A296 Y297 | L236-V299 HydrophobicContact CD2-CG1 4.42Å; L236-V299 VanDerWaalsContact O-CG2 3.31Å; L236-V299 WeakPolarHBondContact O-CG2 3.47Å; Q295-V299 HydrophobicContact CG-CG2 4.36Å; Q295-V299 VanDerWaalsContact NE2-CG2 3.3Å; Q295-V299 WeakPolarHBondContact O-CG2 3.38Å; Q295-V299 PolarHBondContact O-N 3.22Å; A296-V299 PolarHBondContact O-N 2.95Å; Y297-V299 VanDerWaalsContact C-N 3.29Å; Y297-V299 PolarHBondContact O-N 3.38Å |
| 300 | L | 97.5 | Very high | 98.5 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -97.8 | -11.7 | -173.6 | -52.8 | 173.7 | 0 | 0 | 0 | 112.5 | L236 V247 L248 Q252 A296 N302 Y305 | L236-L300 HydrophobicContact CD2-CD1 4.37Å; L236-L300 HydrophobicContact CD2-CG 4.46Å; V247-L300 HydrophobicContact CG1-CD2 4.27Å; L248-L300 HydrophobicContact CD2-CD2 3.98Å; Q252-L300 HydrophobicContact CB-CD1 3.94Å; Q252-L300 HydrophobicContact CB-CD2 4.29Å; Q252-L300 HydrophobicContact CG-CD1 3.84Å; A296-L300 HydrophobicContact CB-CD1 4.2Å; A296-L300 WeakPolarHBondContact O-CA 3.25Å; A296-L300 WeakPolarHBondContact O-CB 3.33Å; A296-L300 WeakPolarHBondContact O-CG 3.1Å; A296-L300 PolarHBondContact O-N 3.48Å; L300-N302 PolarHBondContact O-N 3.05Å; L300-Y305 HydrophobicContact CB-CD2 4.5Å; L300-Y305 HydrophobicContact CB-CE2 3.9Å; L300-Y305 HydrophobicContact CD1-CE2 3.62Å; L300-Y305 HydrophobicContact CG-CE2 4.37Å |
| 301 | G | 97.1 | Very high | 98.5 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | trans | 68.8 | 2.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | Y297 P303 | Y297-G301 VanDerWaalsContact O-CA 3.3Å; Y297-G301 WeakPolarHBondContact O-CA 3.42Å; Y297-G301 PolarHBondContact O-N 3.45Å; G301-P303 WeakPolarHBondContact O-CD 3.37Å | ||
| 302 | N | 97.7 | Very high | 98.5 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | trans | -79.4 | 117.5 | -178.7 | -173.3 | -26 | 0 | 0 | 0 | 111.2 | Y297 L300 R304 Y305 | Y297-N302 WeakPolarHBondContact CD2-O 3.49Å; L300-N302 PolarHBondContact O-N 3.05Å; N302-R304 PolarHBondContact O-N 3.4Å; N302-R304 VanDerWaalsContact O-N 3.09Å; N302-R304 VanDerWaalsContact OD1-CB 3.3Å; N302-R304 WeakPolarHBondContact OD1-CB 3.44Å; N302-R304 PolarHBondContact OD1-N 2.98Å; N302-Y305 HydrophobicContact CB-CD2 3.78Å; N302-Y305 HydrophobicContact CB-CE2 3.71Å; N302-Y305 WeakPolarHBondContact O-CD2 3.4Å; N302-Y305 PolarHBondContact O-N 3.47Å; N302-Y305 VanDerWaalsContact O-N 3.16Å | ||
| 303 | P | 98.1 | Very high | 98.5 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.9 | -27.5 | -178 | -25.8 | 35.3 | 0 | 0 | 0 | 114.7 | G301 Y305 L306 E307 | G301-P303 WeakPolarHBondContact O-CD 3.37Å; P303-Y305 PolarHBondContact O-N 2.85Å; P303-L306 WeakPolarHBondContact O-CB 3.44Å; P303-L306 PolarHBondContact O-N 2.94Å; P303-E307 PolarHBondContact O-N 3.17Å; P303-E307 VanDerWaalsContact O-N 3.08Å |
| 304 | R | 98.1 | Very high | 98.5 | Very high | 116 Ų | 116 | 47.7 Ų | 47.7 | 44% | 0.438 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55 | -37.6 | 178.2 | 179.4 | -178.4 | 165.3 | -176.6 | -3.1 | 112.4 | N302 L306 E307 E308 | N302-R304 PolarHBondContact O-N 3.4Å; N302-R304 VanDerWaalsContact O-N 3.09Å; N302-R304 VanDerWaalsContact OD1-CB 3.3Å; N302-R304 WeakPolarHBondContact OD1-CB 3.44Å; N302-R304 PolarHBondContact OD1-N 2.98Å; R304-L306 VanDerWaalsContact C-N 3.29Å; R304-L306 PolarHBondContact O-N 3.39Å; R304-E307 WeakPolarHBondContact O-CB 3.37Å; R304-E307 PolarHBondContact O-N 3.37Å; R304-E308 HydrophobicContact CG-CG 4.38Å; R304-E308 IonicContact CZ-OE1 3.29Å; R304-E308 VanDerWaalsContact CZ-OE1 3.29Å; R304-E308 IonicContact NE-OE1 2.82Å; R304-E308 PolarHBondContact NE-OE1 2.75Å; R304-E308 IonicContact NH2-OE1 2.87Å; R304-E308 PolarHBondContact NH2-OE1 3.24Å; R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 2.86Å |
| 305 | Y | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.02 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | 179.6 | -63 | -53.8 | 0 | 0 | 0 | 112 | V255 L293 A296 L300 N302 P303 A309 | V255-Y305 HydrophobicContact CG1-CE1 3.95Å; L293-Y305 HydrophobicContact CD2-CD1 4.31Å; L293-Y305 WeakPolarHBondContact O-CB 3.42Å; A296-Y305 HydrophobicContact CB-CD1 3.98Å; A296-Y305 HydrophobicContact CB-CD2 3.78Å; A296-Y305 HydrophobicContact CB-CE1 4.24Å; A296-Y305 HydrophobicContact CB-CE2 4.05Å; A296-Y305 HydrophobicContact CB-CG 3.75Å; L300-Y305 HydrophobicContact CB-CD2 4.5Å; L300-Y305 HydrophobicContact CB-CE2 3.9Å; L300-Y305 HydrophobicContact CD1-CE2 3.62Å; L300-Y305 HydrophobicContact CG-CE2 4.37Å; N302-Y305 HydrophobicContact CB-CD2 3.78Å; N302-Y305 HydrophobicContact CB-CE2 3.71Å; N302-Y305 WeakPolarHBondContact O-CD2 3.4Å; N302-Y305 PolarHBondContact O-N 3.47Å; N302-Y305 VanDerWaalsContact O-N 3.16Å; P303-Y305 PolarHBondContact O-N 2.85Å; Y305-A309 WeakPolarHBondContact O-CB 3.36Å; Y305-A309 PolarHBondContact O-N 2.95Å |
| 306 | L | 98.8 | Very high | 98.5 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 174.5 | 178.8 | 56.5 | 0 | 0 | 0 | 111.3 | L294 Y297 P303 R304 E308 A309 L310 L345 T346 | L294-L306 HydrophobicContact CD2-CD1 4.38Å; Y297-L306 HydrophobicContact CD1-CB 4.41Å; Y297-L306 HydrophobicContact CD2-CB 3.71Å; Y297-L306 HydrophobicContact CE1-CD2 4.13Å; Y297-L306 HydrophobicContact CE2-CB 4.01Å; Y297-L306 HydrophobicContact CE2-CD2 4.21Å; Y297-L306 HydrophobicContact CG-CB 3.91Å; P303-L306 WeakPolarHBondContact O-CB 3.44Å; P303-L306 PolarHBondContact O-N 2.94Å; R304-L306 VanDerWaalsContact C-N 3.29Å; R304-L306 PolarHBondContact O-N 3.39Å; L306-E308 VanDerWaalsContact C-N 3.32Å; L306-E308 PolarHBondContact O-N 2.88Å; L306-A309 PolarHBondContact O-N 3.27Å; L306-A309 VanDerWaalsContact O-N 3.17Å; L306-L310 HydrophobicContact CD1-CG 4.32Å; L306-L310 HydrophobicContact CG-CD1 4.27Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 3.2Å; L306-L345 HydrophobicContact CD1-CD2 3.72Å; L306-T346 HydrophobicContact CD1-CG2 3.97Å |
| 307 | E | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -57.7 | -44.7 | 174.8 | -66.8 | 172.1 | -173 | 0 | 0 | 111.7 | P303 R304 L310 Q311 | P303-E307 PolarHBondContact O-N 3.17Å; P303-E307 VanDerWaalsContact O-N 3.08Å; R304-E307 WeakPolarHBondContact O-CB 3.37Å; R304-E307 PolarHBondContact O-N 3.37Å; E307-L310 PolarHBondContact O-N 2.96Å; E307-Q311 WeakPolarHBondContact O-CG 3.48Å; E307-Q311 PolarHBondContact O-N 3.46Å; E307-Q311 VanDerWaalsContact O-N 3.13Å |
| 308 | E | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 175.6 | -63.9 | -163.1 | -164.7 | 0 | 0 | 112.1 | C259 Y268 L293 R304 L306 L310 Q311 C312 | C259-E308 WeakPolarHBondContact CB-OE2 3.42Å; Y268-E308 PolarHBondContact OH-OE2 3.33Å; Y268-E308 VanDerWaalsContact OH-OE2 3.13Å; L293-E308 HydrophobicContact CD1-CB 3.94Å; L293-E308 HydrophobicContact CD2-CB 4.11Å; R304-E308 HydrophobicContact CG-CG 4.38Å; R304-E308 IonicContact CZ-OE1 3.29Å; R304-E308 VanDerWaalsContact CZ-OE1 3.29Å; R304-E308 IonicContact NE-OE1 2.82Å; R304-E308 PolarHBondContact NE-OE1 2.75Å; R304-E308 IonicContact NH2-OE1 2.87Å; R304-E308 PolarHBondContact NH2-OE1 3.24Å; R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 2.86Å; L306-E308 VanDerWaalsContact C-N 3.32Å; L306-E308 PolarHBondContact O-N 2.88Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.11Å; E308-Q311 WeakPolarHBondContact O-CB 3.33Å; E308-Q311 PolarHBondContact O-N 3.21Å; E308-C312 PolarHBondContact O-N 3.15Å |
| 309 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V290 L293 L294 Y305 L306 Q311 C312 G313 L342 | V290-A309 HydrophobicContact CG2-CB 4.04Å; L293-A309 HydrophobicContact CB-CB 3.88Å; L293-A309 HydrophobicContact CD1-CB 4.42Å; L294-A309 HydrophobicContact CD2-CB 3.75Å; L294-A309 HydrophobicContact CG-CB 4.12Å; Y305-A309 WeakPolarHBondContact O-CB 3.36Å; Y305-A309 PolarHBondContact O-N 2.95Å; L306-A309 PolarHBondContact O-N 3.27Å; L306-A309 VanDerWaalsContact O-N 3.17Å; A309-Q311 VanDerWaalsContact C-N 3.32Å; A309-Q311 PolarHBondContact O-N 2.83Å; A309-C312 VanDerWaalsContact O-CB 3.31Å; A309-C312 WeakPolarHBondContact O-CB 3.34Å; A309-C312 PolarHBondContact O-N 2.84Å; A309-G313 PolarHBondContact O-N 3.4Å; A309-G313 VanDerWaalsContact O-N 3.13Å; A309-L342 HydrophobicContact CB-CD2 4.01Å |
| 310 | L | 98.9 | Very high | 98.4 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 29% | 0.293 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.9 | -70.1 | 168.1 | 0 | 0 | 0 | 111.3 | L306 E307 E308 C312 G313 E314 L342 H351 | L306-L310 HydrophobicContact CD1-CG 4.32Å; L306-L310 HydrophobicContact CG-CD1 4.27Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 3.2Å; E307-L310 PolarHBondContact O-N 2.96Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.11Å; L310-C312 VanDerWaalsContact C-N 3.35Å; L310-C312 PolarHBondContact O-N 3.35Å; L310-G313 WeakPolarHBondContact O-CA 3.44Å; L310-G313 PolarHBondContact O-N 3.15Å; L310-E314 PolarHBondContact O-N 3.41Å; L310-E314 VanDerWaalsContact O-N 3.08Å; L310-L342 HydrophobicContact CD2-CD2 4.15Å; L310-H351 VanDerWaalsContact CD2-NE2 3.27Å; L310-H351 WeakPolarHBondContact CD2-NE2 3.33Å |
| 311 | Q | 98.7 | Very high | 98.5 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 172.8 | -65.4 | -55.9 | -38.3 | 0 | 0 | 112.4 | E307 E308 A309 G313 E314 V315 | E307-Q311 WeakPolarHBondContact O-CG 3.48Å; E307-Q311 PolarHBondContact O-N 3.46Å; E307-Q311 VanDerWaalsContact O-N 3.13Å; E308-Q311 WeakPolarHBondContact O-CB 3.33Å; E308-Q311 PolarHBondContact O-N 3.21Å; A309-Q311 VanDerWaalsContact C-N 3.32Å; A309-Q311 PolarHBondContact O-N 2.83Å; Q311-G313 PolarHBondContact O-N 3.45Å; Q311-E314 PolarHBondContact O-N 3.14Å; Q311-E314 VanDerWaalsContact O-N 3.1Å; Q311-V315 WeakPolarHBondContact O-CG2 3.4Å; Q311-V315 PolarHBondContact O-N 3.26Å |
| 312 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.1 | -43.4 | 169.5 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | A286 V290 E308 A309 L310 E314 V315 V316 | A286-C312 HydrophobicContact CB-CB 3.86Å; V290-C312 HydrophobicContact CB-CB 4Å; V290-C312 HydrophobicContact CG2-CB 4.08Å; E308-C312 PolarHBondContact O-N 3.15Å; A309-C312 VanDerWaalsContact O-CB 3.31Å; A309-C312 WeakPolarHBondContact O-CB 3.34Å; A309-C312 PolarHBondContact O-N 2.84Å; L310-C312 VanDerWaalsContact C-N 3.35Å; L310-C312 PolarHBondContact O-N 3.35Å; C312-E314 VanDerWaalsContact C-N 3.32Å; C312-E314 PolarHBondContact O-N 3.43Å; C312-V315 WeakPolarHBondContact O-CB 3.4Å; C312-V315 PolarHBondContact O-N 3.16Å; C312-V316 VanDerWaalsContact O-CG2 3.3Å; C312-V316 WeakPolarHBondContact O-CG2 3.41Å; C312-V316 PolarHBondContact O-N 3.3Å |
| 313 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.2 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A309 L310 Q311 V316 W317 F339 R354 | A309-G313 PolarHBondContact O-N 3.4Å; A309-G313 VanDerWaalsContact O-N 3.13Å; L310-G313 WeakPolarHBondContact O-CA 3.44Å; L310-G313 PolarHBondContact O-N 3.15Å; Q311-G313 PolarHBondContact O-N 3.45Å; G313-V316 PolarHBondContact O-N 3.22Å; G313-W317 WeakPolarHBondContact O-CB 3.46Å; G313-W317 PolarHBondContact O-N 3.05Å; G313-F339 WeakPolarHBondContact O-CE1 3.47Å; G313-R354 PolarHBondContact O-NH1 2.73Å |
| 314 | E | 98.8 | Very high | 98.2 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 176.1 | -62.9 | -52.9 | 136 | 0 | 0 | 112.6 | L310 Q311 C312 V316 W317 R318 K350 R354 | L310-E314 PolarHBondContact O-N 3.41Å; L310-E314 VanDerWaalsContact O-N 3.08Å; Q311-E314 PolarHBondContact O-N 3.14Å; Q311-E314 VanDerWaalsContact O-N 3.1Å; C312-E314 VanDerWaalsContact C-N 3.32Å; C312-E314 PolarHBondContact O-N 3.43Å; E314-V316 PolarHBondContact O-N 3.37Å; E314-W317 PolarHBondContact O-N 2.96Å; E314-R318 PolarHBondContact O-N 3.47Å; E314-K350 IonicContact OE1-NZ 3.93Å; E314-K350 PolarHBondContact OE1-NZ 2.88Å; E314-R354 VanDerWaalsContact CD-NH1 3.33Å; E314-R354 VanDerWaalsContact CD-NH2 3.32Å; E314-R354 IonicContact OE1-CZ 3.7Å; E314-R354 IonicContact OE1-NH1 3.55Å; E314-R354 PolarHBondContact OE1-NH1 3.25Å; E314-R354 IonicContact OE1-NH2 2.72Å; E314-R354 PolarHBondContact OE1-NH2 3.41Å; E314-R354 IonicContact OE2-CZ 3.09Å; E314-R354 IonicContact OE2-NH1 2.65Å; E314-R354 PolarHBondContact OE2-NH1 3.38Å; E314-R354 IonicContact OE2-NH2 2.64Å; E314-R354 PolarHBondContact OE2-NH2 3.46Å |
| 315 | V | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -49.3 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | M1 S265 N267 V280 A286 Q311 C312 W317 R318 W319 | M1-V315 HydrophobicContact SD-CG1 4.31Å; S265-V315 WeakPolarHBondContact O-CG2 3.41Å; N267-V315 HydrophobicContact CB-CG1 3.91Å; N267-V315 HydrophobicContact CB-CG2 4.42Å; V280-V315 HydrophobicContact CG1-CG1 4.17Å; V280-V315 HydrophobicContact CG2-CG1 4.19Å; A286-V315 HydrophobicContact CB-CB 4.15Å; A286-V315 HydrophobicContact CB-CG1 3.92Å; Q311-V315 WeakPolarHBondContact O-CG2 3.4Å; Q311-V315 PolarHBondContact O-N 3.26Å; C312-V315 WeakPolarHBondContact O-CB 3.4Å; C312-V315 PolarHBondContact O-N 3.16Å; V315-W317 VanDerWaalsContact C-N 3.33Å; V315-W317 PolarHBondContact O-N 3.43Å; V315-R318 PolarHBondContact O-N 3.25Å; V315-W319 HydrophobicContact CB-CE3 4.28Å; V315-W319 HydrophobicContact CB-CZ3 4.43Å; V315-W319 HydrophobicContact CG1-CE3 3.9Å; V315-W319 HydrophobicContact CG1-CZ3 4.35Å; V315-W319 HydrophobicContact CG2-CZ3 4.26Å; V315-W319 PolarHBondContact O-N 3.42Å |
| 316 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | -179.9 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | V280 P287 C312 G313 E314 R318 G320 N335 T338 F339 F358 | V280-V316 HydrophobicContact CG1-CG2 4.26Å; P287-V316 HydrophobicContact CB-CG2 4.23Å; P287-V316 HydrophobicContact CG-CG2 3.68Å; C312-V316 VanDerWaalsContact O-CG2 3.3Å; C312-V316 WeakPolarHBondContact O-CG2 3.41Å; C312-V316 PolarHBondContact O-N 3.3Å; G313-V316 PolarHBondContact O-N 3.22Å; E314-V316 PolarHBondContact O-N 3.37Å; V316-R318 VanDerWaalsContact C-N 3.3Å; V316-R318 PolarHBondContact O-N 2.92Å; V316-G320 WeakPolarHBondContact O-CA 3.47Å; V316-G320 PolarHBondContact O-N 2.87Å; V316-N335 HydrophobicContact CG1-CB 3.87Å; V316-T338 HydrophobicContact CB-CG2 4.32Å; V316-T338 HydrophobicContact CG2-CG2 3.88Å; V316-F339 HydrophobicContact CB-CE1 4.38Å; V316-F339 HydrophobicContact CB-CZ 3.97Å; V316-F339 HydrophobicContact CG1-CE1 4.45Å; V316-F339 HydrophobicContact CG1-CE2 3.85Å; V316-F339 HydrophobicContact CG1-CZ 3.67Å; V316-F358 HydrophobicContact CG1-CE1 4.14Å; V316-F358 HydrophobicContact CG1-CZ 4.22Å; V316-F358 WeakPolarHBondContact O-CZ 3.33Å |
| 317 | W | 98.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 177.5 | -179.7 | -118.1 | 0 | 0 | 0 | 112.1 | N8 D12 G313 E314 V315 F339 Y353 R354 M357 F358 | N8-W317 VanDerWaalsContact ND2-CD2 3.34Å; N8-W317 VanDerWaalsContact ND2-CE2 3.33Å; N8-W317 WeakPolarHBondContact ND2-CZ2 3.47Å; N8-W317 WeakPolarHBondContact ND2-CZ3 3.49Å; N8-W317 PolarHBondContact ND2-O 3.39Å; D12-W317 HydrophobicContact CB-CZ2 4.06Å; G313-W317 WeakPolarHBondContact O-CB 3.46Å; G313-W317 PolarHBondContact O-N 3.05Å; E314-W317 PolarHBondContact O-N 2.96Å; V315-W317 VanDerWaalsContact C-N 3.33Å; V315-W317 PolarHBondContact O-N 3.43Å; W317-F339 HydrophobicContact CB-CE1 4.27Å; W317-F339 HydrophobicContact CB-CZ 4.01Å; W317-F339 HydrophobicContact CE3-CZ 4.15Å; W317-Y353 HydrophobicContact CH2-CE1 4.36Å; W317-R354 VanDerWaalsContact CD1-NH2 3.34Å; W317-R354 HydrophobicContact CD2-CG 3.85Å; W317-R354 HydrophobicContact CE3-CB 3.74Å; W317-R354 HydrophobicContact CE3-CG 3.4Å; W317-R354 VanDerWaalsContact CE3-CG 3.4Å; W317-R354 VanDerWaalsContact CG-CZ 3.43Å; W317-R354 HydrophobicContact CH2-CG 4.2Å; W317-R354 HydrophobicContact CZ3-CB 3.81Å; W317-R354 HydrophobicContact CZ3-CG 3.6Å; W317-M357 HydrophobicContact CH2-CB 4.08Å; W317-M357 HydrophobicContact CH2-CG 4.07Å; W317-M357 HydrophobicContact CZ3-CB 4.02Å; W317-M357 HydrophobicContact CZ3-CG 4.41Å; W317-F358 HydrophobicContact CE3-CD2 4.41Å; W317-F358 AromaticContact CE3-CE2 3.79Å; W317-F358 HydrophobicContact CE3-CE2 3.79Å; W317-F358 HydrophobicContact CZ3-CD2 4.21Å; W317-F358 AromaticContact CZ3-CE2 3.96Å; W317-F358 HydrophobicContact CZ3-CE2 3.96Å |
| 318 | R | 98.2 | Very high | 98.1 | Very high | 155 Ų | 155 | 29.5 Ų | 29.5 | 59% | 0.585 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -78.5 | -37.6 | -177.5 | -170.3 | 169.8 | 173.3 | 175.9 | -0.9 | 113.4 | E314 V315 V316 | E314-R318 PolarHBondContact O-N 3.47Å; V315-R318 PolarHBondContact O-N 3.25Å; V316-R318 VanDerWaalsContact C-N 3.3Å; V316-R318 PolarHBondContact O-N 2.92Å |
| 319 | W | 98.4 | Very high | 98.1 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -129 | 5.2 | -168.4 | -60.3 | -66.1 | 0 | 0 | 0 | 115.1 | M1 D2 A5 V280 V315 L321 L322 | M1-W319 HydrophobicContact CB-CB 4.35Å; M1-W319 HydrophobicContact CB-CD2 4.06Å; M1-W319 HydrophobicContact CB-CG 3.85Å; M1-W319 HydrophobicContact CE-CD2 3.85Å; M1-W319 HydrophobicContact CE-CE3 3.57Å; M1-W319 HydrophobicContact CE-CH2 3.56Å; M1-W319 HydrophobicContact CE-CZ2 3.83Å; M1-W319 HydrophobicContact CE-CZ3 3.43Å; M1-W319 VanDerWaalsContact CE-CZ3 3.43Å; M1-W319 HydrophobicContact SD-CB 4.5Å; M1-W319 HydrophobicContact SD-CD2 3.84Å; M1-W319 HydrophobicContact SD-CE3 3.64Å; M1-W319 HydrophobicContact SD-CG 4.25Å; M1-W319 HydrophobicContact SD-CZ3 4.1Å; D2-W319 PolarHBondContact OD1-NE1 3.1Å; A5-W319 HydrophobicContact CB-CB 4.16Å; A5-W319 VanDerWaalsContact CB-O 3.28Å; A5-W319 WeakPolarHBondContact CB-O 3.49Å; V280-W319 HydrophobicContact CG2-CB 4.01Å; V315-W319 HydrophobicContact CB-CE3 4.28Å; V315-W319 HydrophobicContact CB-CZ3 4.43Å; V315-W319 HydrophobicContact CG1-CE3 3.9Å; V315-W319 HydrophobicContact CG1-CZ3 4.35Å; V315-W319 HydrophobicContact CG2-CZ3 4.26Å; V315-W319 PolarHBondContact O-N 3.42Å; W319-L321 PolarHBondContact O-N 3.47Å; W319-L322 WeakPolarHBondContact O-CD2 3.35Å |
| 320 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -82.4 | -6.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V316 L322 N335 | V316-G320 WeakPolarHBondContact O-CA 3.47Å; V316-G320 PolarHBondContact O-N 2.87Å; G320-L322 PolarHBondContact O-N 3.01Å; G320-N335 WeakPolarHBondContact CA-ND2 3.23Å; G320-N335 PolarHBondContact O-ND2 3.39Å | ||
| 321 | L | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -87 | 93.6 | 172.5 | -62.9 | -177.7 | 0 | 0 | 0 | 109.6 | A5 L6 N8 Y10 W319 A332 F358 W361 | A5-L321 CarbonylContact C-O 3.52Å; A5-L321 WeakPolarHBondContact CA-O 3.41Å; L6-L321 PolarHBondContact N-O 3.38Å; N8-L321 HydrophobicContact CB-CD1 4.2Å; Y10-L321 HydrophobicContact CD2-CD1 4.36Å; Y10-L321 HydrophobicContact CE2-CD1 4.23Å; W319-L321 PolarHBondContact O-N 3.47Å; L321-A332 HydrophobicContact CD2-CB 4.21Å; L321-F358 HydrophobicContact CD2-CD1 3.82Å; L321-F358 HydrophobicContact CD2-CD2 4.04Å; L321-F358 HydrophobicContact CD2-CE1 3.65Å; L321-F358 HydrophobicContact CD2-CE2 3.86Å; L321-F358 HydrophobicContact CD2-CG 4.01Å; L321-F358 HydrophobicContact CD2-CZ 3.66Å; L321-F358 HydrophobicContact CG-CE1 4.29Å; L321-F358 HydrophobicContact CG-CE2 4.15Å; L321-F358 HydrophobicContact CG-CZ 3.9Å; L321-W361 HydrophobicContact CB-CZ2 4.45Å; L321-W361 HydrophobicContact CD1-CD2 4Å; L321-W361 HydrophobicContact CD1-CE3 3.8Å; L321-W361 HydrophobicContact CD1-CZ3 4.07Å; L321-W361 HydrophobicContact CD2-CB 4.1Å; L321-W361 HydrophobicContact CD2-CD2 3.89Å; L321-W361 HydrophobicContact CD2-CE3 4.5Å; L321-W361 HydrophobicContact CD2-CG 3.67Å; L321-W361 HydrophobicContact CG-CD2 4.41Å |
| 322 | L | 96.7 | Very high | 98 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -87.5 | 139.9 | -164.8 | -54.5 | 174.4 | 0 | 0 | 0 | 112.7 | V280 H281 W319 G320 K324 G325 H330 | V280-L322 HydrophobicContact CB-CD2 4.44Å; H281-L322 WeakPolarHBondContact CD2-CD1 3.18Å; W319-L322 WeakPolarHBondContact O-CD2 3.35Å; G320-L322 PolarHBondContact O-N 3.01Å; L322-K324 HydrophobicContact CB-CB 4.21Å; L322-K324 PolarHBondContact O-N 2.91Å; L322-G325 PolarHBondContact O-N 3.26Å; L322-H330 VanDerWaalsContact CD1-C 3.44Å; L322-H330 VanDerWaalsContact CD1-O 3.25Å; L322-H330 WeakPolarHBondContact CD1-O 3.4Å |
| 323 | K | 95.5 | Very high | 98 | Very high | 92 Ų | 92 | 23.7 Ų | 23.7 | 40% | 0.4 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.8 | 165.4 | -66.6 | 177.8 | -176.9 | 167.9 | 0 | 112.3 | T3 R4 A5 L6 G325 | T3-K323 WeakPolarHBondContact O-CD 3.33Å; T3-K323 PolarHBondContact O-NZ 3.05Å; R4-K323 WeakPolarHBondContact O-CB 3.23Å; R4-K323 PolarHBondContact O-N 2.99Å; A5-K323 VanDerWaalsContact O-CE 3.29Å; A5-K323 WeakPolarHBondContact O-CE 3.27Å; L6-K323 HydrophobicContact CD1-CG 4.44Å; L6-K323 HydrophobicContact CD2-CG 3.84Å; L6-K323 HydrophobicContact CG-CG 3.72Å; K323-G325 VanDerWaalsContact C-N 3.34Å |
| 324 | K | 95 | Very high | 98 | Very high | 89 Ų | 89 | 23.8 Ų | 23.8 | 39% | 0.387 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.4 | -177.8 | -164.9 | 170.9 | -175.5 | -160.7 | 0 | 112.3 | L322 H330 | L322-K324 HydrophobicContact CB-CB 4.21Å; L322-K324 PolarHBondContact O-N 2.91Å; K324-H330 HydrophobicContact CD-CB 4.1Å; K324-H330 WeakPolarHBondContact CD-CD2 3.46Å; K324-H330 WeakPolarHBondContact CE-CD2 3.41Å; K324-H330 VanDerWaalsContact CE-NE2 3.31Å; K324-H330 WeakPolarHBondContact CE-NE2 3.48Å; K324-H330 PolarHBondContact NZ-CD2 2.94Å; K324-H330 PolarHBondContact NZ-CE1 3.5Å; K324-H330 VanDerWaalsContact NZ-CE1 3.27Å; K324-H330 PolarHBondContact NZ-ND1 2.84Å; K324-H330 PolarHBondContact NZ-NE2 3.07Å |
| 325 | G | 96.3 | Very high | 98 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 4% | 0.041 | 9% | 0.088 | C | C | . | . | trans | 144.3 | -162.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L322 K323 G331 A332 | L322-G325 PolarHBondContact O-N 3.26Å; K323-G325 VanDerWaalsContact C-N 3.34Å; G325-G331 VanDerWaalsContact O-CA 3.24Å; G325-G331 WeakPolarHBondContact O-CA 3.45Å; G325-A332 PolarHBondContact O-N 3.49Å; G325-A332 VanDerWaalsContact O-N 3.15Å | ||
| 326 | Y | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 2% | 0.024 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -112.5 | -7.4 | -171.1 | -57.1 | -94 | 0 | 0 | 0 | 113.7 | A332 A333 W361 Y365 R368 C370 T386 | Y326-A332 HydrophobicContact CD1-CB 4.44Å; Y326-A333 WeakPolarHBondContact O-CB 3.33Å; Y326-A333 PolarHBondContact O-N 3.4Å; Y326-W361 AromaticContact CD1-CD1 3.75Å; Y326-W361 AromaticContact CD1-NE1 3.79Å; Y326-W361 AromaticContact CE1-CD1 3.44Å; Y326-W361 VanDerWaalsContact CE1-CD1 3.44Å; Y326-W361 HydrophobicContact CE1-CG 4.44Å; Y326-W361 AromaticContact CE1-NE1 3.23Å; Y326-Y365 HydrophobicContact CD1-CD2 4.39Å; Y326-Y365 AromaticContact CD2-CD2 3.76Å; Y326-Y365 HydrophobicContact CD2-CD2 3.76Å; Y326-Y365 AromaticContact CD2-CE2 3.71Å; Y326-Y365 HydrophobicContact CD2-CE2 3.71Å; Y326-Y365 HydrophobicContact CD2-CG 4.28Å; Y326-Y365 HydrophobicContact CE2-CD2 4.39Å; Y326-Y365 HydrophobicContact CE2-CG 4.5Å; Y326-Y365 AromaticContact CG-CD2 3.77Å; Y326-Y365 HydrophobicContact CG-CD2 3.77Å; Y326-Y365 AromaticContact CG-CE2 3.85Å; Y326-Y365 HydrophobicContact CG-CE2 3.85Å; Y326-R368 VanDerWaalsContact OH-CB 3.24Å; Y326-R368 WeakPolarHBondContact OH-CB 3.5Å; Y326-R368 WeakPolarHBondContact OH-CG 3.29Å; Y326-C370 HydrophobicContact CE2-CB 3.9Å; Y326-T386 WeakPolarHBondContact CB-OG1 3.37Å; Y326-T386 PolarHBondContact O-OG1 3.25Å |
| 327 | G | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | trans | -61.6 | -178.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G331 G334 | G327-G331 CarbonylContact O-C 3.18Å; G327-G331 VanDerWaalsContact O-C 3.24Å; G327-G331 WeakPolarHBondContact O-CA 3.34Å; G327-G331 PolarHBondContact O-N 3.17Å; G327-G331 VanDerWaalsContact O-N 3.14Å; G327-G334 PolarHBondContact O-N 3.03Å | ||
| 328 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -42.3 | -175.1 | -68 | 173.9 | 0 | 0 | 0 | 113.6 | H330 A333 G334 Y337 L379 F380 F401 P402 | L328-H330 VanDerWaalsContact C-N 3.32Å; L328-H330 PolarHBondContact O-N 3.28Å; L328-A333 HydrophobicContact CD2-CB 4.26Å; L328-G334 VanDerWaalsContact O-CA 3.26Å; L328-G334 WeakPolarHBondContact O-CA 3.44Å; L328-Y337 HydrophobicContact CD2-CD2 4.14Å; L328-Y337 HydrophobicContact CD2-CE2 3.76Å; L328-L379 HydrophobicContact CD1-CD1 4.14Å; L328-L379 HydrophobicContact CD1-CG 4.27Å; L328-L379 WeakPolarHBondContact CD1-O 3.34Å; L328-F380 PolarHBondContact N-O 2.97Å; L328-F380 VanDerWaalsContact N-O 3.14Å; L328-F401 HydrophobicContact CB-CE2 4.43Å; L328-F401 HydrophobicContact CB-CZ 3.93Å; L328-P402 HydrophobicContact CD1-CG 3.44Å; L328-P402 VanDerWaalsContact CD1-CG 3.44Å |
| 329 | C | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.02 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -38.6 | -173.8 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | Y64 W282 C283 F380 | Y64-C329 HydrophobicContact CE2-CB 4.28Å; Y64-C329 PolarHBondContact OH-SG 3.47Å; W282-C329 HydrophobicContact CE3-CB 4.39Å; W282-C329 PolarHBondContact N-O 3.47Å; C283-C329 PolarHBondContact N-O 3Å; C283-C329 VanDerWaalsContact N-O 3.15Å; C283-C329 PolarHBondContact SG-O 2.95Å; C283-C329 VanDerWaalsContact SG-SG 3.67Å; C329-F380 HydrophobicContact CB-CB 4.23Å; C329-F380 HydrophobicContact CB-CD1 4.07Å; C329-F380 WeakPolarHBondContact CB-O 3.43Å; C329-F380 PolarHBondContact N-O 3.22Å |
| 330 | H | 97.9 | Very high | 98.1 | Very high | 28 Ų | 28 | 11 Ų | 11 | 13% | 0.13 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -160.5 | 50.3 | -172.3 | 45.3 | -106.6 | 0 | 0 | 0 | 111.2 | H281 L322 K324 L328 | H281-H330 HydrophobicContact CB-CB 3.71Å; L322-H330 VanDerWaalsContact CD1-C 3.44Å; L322-H330 VanDerWaalsContact CD1-O 3.25Å; L322-H330 WeakPolarHBondContact CD1-O 3.4Å; K324-H330 HydrophobicContact CD-CB 4.1Å; K324-H330 WeakPolarHBondContact CD-CD2 3.46Å; K324-H330 WeakPolarHBondContact CE-CD2 3.41Å; K324-H330 VanDerWaalsContact CE-NE2 3.31Å; K324-H330 WeakPolarHBondContact CE-NE2 3.48Å; K324-H330 PolarHBondContact NZ-CD2 2.94Å; K324-H330 PolarHBondContact NZ-CE1 3.5Å; K324-H330 VanDerWaalsContact NZ-CE1 3.27Å; K324-H330 PolarHBondContact NZ-ND1 2.84Å; K324-H330 PolarHBondContact NZ-NE2 3.07Å; L328-H330 VanDerWaalsContact C-N 3.32Å; L328-H330 PolarHBondContact O-N 3.28Å |
| 331 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -139.5 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G325 G327 A333 G334 N335 | G325-G331 VanDerWaalsContact O-CA 3.24Å; G325-G331 WeakPolarHBondContact O-CA 3.45Å; G327-G331 CarbonylContact O-C 3.18Å; G327-G331 VanDerWaalsContact O-C 3.24Å; G327-G331 WeakPolarHBondContact O-CA 3.34Å; G327-G331 PolarHBondContact O-N 3.17Å; G327-G331 VanDerWaalsContact O-N 3.14Å; G331-A333 VanDerWaalsContact C-N 3.33Å; G331-A333 PolarHBondContact O-N 3.36Å; G331-G334 PolarHBondContact O-N 2.89Å; G331-N335 PolarHBondContact O-N 3.22Å; G331-N335 VanDerWaalsContact O-N 3.08Å |
| 332 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.5 | -39.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L321 G325 Y326 N335 A336 F358 | L321-A332 HydrophobicContact CD2-CB 4.21Å; G325-A332 PolarHBondContact O-N 3.49Å; G325-A332 VanDerWaalsContact O-N 3.15Å; Y326-A332 HydrophobicContact CD1-CB 4.44Å; A332-N335 PolarHBondContact O-N 3.38Å; A332-A336 PolarHBondContact O-N 3.32Å; A332-F358 WeakPolarHBondContact O-CD1 3.43Å |
| 333 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y326 L328 G331 N335 A336 Y337 F389 | Y326-A333 WeakPolarHBondContact O-CB 3.33Å; Y326-A333 PolarHBondContact O-N 3.4Å; L328-A333 HydrophobicContact CD2-CB 4.26Å; G331-A333 VanDerWaalsContact C-N 3.33Å; G331-A333 PolarHBondContact O-N 3.36Å; A333-N335 VanDerWaalsContact C-N 3.32Å; A333-N335 PolarHBondContact O-N 3.36Å; A333-A336 WeakPolarHBondContact O-CB 3.42Å; A333-A336 PolarHBondContact O-N 3.35Å; A333-Y337 WeakPolarHBondContact O-CD2 3.25Å; A333-F389 HydrophobicContact CB-CB 3.79Å; A333-F389 HydrophobicContact CB-CD1 3.75Å; A333-F389 HydrophobicContact CB-CG 3.97Å |
| 334 | G | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.01 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G327 L328 G331 A336 Y337 | G327-G334 PolarHBondContact O-N 3.03Å; L328-G334 VanDerWaalsContact O-CA 3.26Å; L328-G334 WeakPolarHBondContact O-CA 3.44Å; G331-G334 PolarHBondContact O-N 2.89Å; G334-A336 VanDerWaalsContact C-N 3.3Å; G334-A336 PolarHBondContact O-N 2.84Å; G334-Y337 WeakPolarHBondContact O-CB 3.37Å; G334-Y337 PolarHBondContact O-N 3.09Å |
| 335 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.5 | -36.5 | 177.5 | -75.9 | -1.6 | 0 | 0 | 0 | 112.4 | V280 P287 V316 G320 G331 A332 A333 Y337 T338 F358 | V280-N335 PolarHBondContact O-ND2 3.08Å; V280-N335 PolarHBondContact O-OD1 2.89Å; P287-N335 WeakPolarHBondContact CB-OD1 3.13Å; P287-N335 WeakPolarHBondContact CG-OD1 3.47Å; V316-N335 HydrophobicContact CG1-CB 3.87Å; G320-N335 WeakPolarHBondContact CA-ND2 3.23Å; G320-N335 PolarHBondContact O-ND2 3.39Å; G331-N335 PolarHBondContact O-N 3.22Å; G331-N335 VanDerWaalsContact O-N 3.08Å; A332-N335 PolarHBondContact O-N 3.38Å; A333-N335 VanDerWaalsContact C-N 3.32Å; A333-N335 PolarHBondContact O-N 3.36Å; N335-Y337 PolarHBondContact O-N 3.45Å; N335-T338 WeakPolarHBondContact O-CB 3.35Å; N335-T338 PolarHBondContact O-N 3.04Å; N335-T338 PolarHBondContact O-OG1 2.8Å; N335-F358 HydrophobicContact CB-CE1 4.09Å |
| 336 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.6 | -28.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A332 A333 G334 T338 F339 L340 F358 F389 | A332-A336 PolarHBondContact O-N 3.32Å; A333-A336 WeakPolarHBondContact O-CB 3.42Å; A333-A336 PolarHBondContact O-N 3.35Å; G334-A336 VanDerWaalsContact C-N 3.3Å; G334-A336 PolarHBondContact O-N 2.84Å; A336-T338 PolarHBondContact O-N 3.32Å; A336-F339 WeakPolarHBondContact O-CB 3.44Å; A336-F339 PolarHBondContact O-N 3.29Å; A336-L340 PolarHBondContact O-N 3.45Å; A336-F358 HydrophobicContact CB-CB 3.56Å; A336-F358 HydrophobicContact CB-CD1 3.93Å; A336-F358 HydrophobicContact CB-CG 4.09Å; A336-F389 HydrophobicContact CB-CD2 4.22Å; A336-F389 HydrophobicContact CB-CE1 3.83Å; A336-F389 HydrophobicContact CB-CE2 3.46Å; A336-F389 VanDerWaalsContact CB-CE2 3.46Å; A336-F389 HydrophobicContact CB-CZ 3.24Å |
| 337 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.5 | -19.8 | 175.2 | -83.5 | -81.2 | 0 | 0 | 0 | 113.9 | Y291 L328 A333 G334 N335 F339 L340 G341 Y388 F389 D392 A399 R400 F401 | Y291-Y337 WeakPolarHBondContact OH-CB 3.42Å; L328-Y337 HydrophobicContact CD2-CD2 4.14Å; L328-Y337 HydrophobicContact CD2-CE2 3.76Å; A333-Y337 WeakPolarHBondContact O-CD2 3.25Å; G334-Y337 WeakPolarHBondContact O-CB 3.37Å; G334-Y337 PolarHBondContact O-N 3.09Å; N335-Y337 PolarHBondContact O-N 3.45Å; Y337-F339 PolarHBondContact O-N 3.39Å; Y337-L340 HydrophobicContact CD1-CB 4.5Å; Y337-L340 HydrophobicContact CD1-CD1 3.86Å; Y337-L340 HydrophobicContact CE1-CD1 4.03Å; Y337-L340 HydrophobicContact CG-CD1 4.43Å; Y337-L340 PolarHBondContact O-N 3.44Å; Y337-G341 PolarHBondContact O-N 3Å; Y337-Y388 WeakPolarHBondContact OH-CD1 3.44Å; Y337-F389 HydrophobicContact CD2-CD2 4.11Å; Y337-F389 HydrophobicContact CE2-CB 3.82Å; Y337-F389 AromaticContact CE2-CD2 3.83Å; Y337-F389 HydrophobicContact CE2-CD2 3.83Å; Y337-F389 HydrophobicContact CE2-CG 4.24Å; Y337-D392 WeakPolarHBondContact CE1-OD2 3.29Å; Y337-D392 VanDerWaalsContact OH-CB 3.3Å; Y337-D392 WeakPolarHBondContact OH-CB 3.28Å; Y337-D392 PolarHBondContact OH-OD2 2.82Å; Y337-A399 HydrophobicContact CE1-CB 4.4Å; Y337-R400 VanDerWaalsContact CE1-O 3.28Å; Y337-R400 WeakPolarHBondContact CE1-O 3.4Å; Y337-F401 HydrophobicContact CD1-CB 4.16Å; Y337-F401 AromaticContact CD2-CD2 3.85Å; Y337-F401 HydrophobicContact CD2-CD2 3.85Å; Y337-F401 HydrophobicContact CD2-CE2 4.47Å; Y337-F401 HydrophobicContact CD2-CG 4.49Å; Y337-F401 HydrophobicContact CG-CB 4.15Å; Y337-F401 AromaticContact CG-CD2 3.91Å; Y337-F401 HydrophobicContact CG-CD2 3.91Å; Y337-F401 HydrophobicContact CG-CG 4.43Å |
| 338 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.7 | -47.1 | 168.4 | -61 | 0 | 0 | 0 | 0 | 109.9 | P287 V290 V316 N335 A336 G341 L342 | P287-T338 WeakPolarHBondContact CA-OG1 3.36Å; V290-T338 HydrophobicContact CB-CG2 4.26Å; V290-T338 HydrophobicContact CG1-CG2 4.07Å; V290-T338 HydrophobicContact CG2-CG2 4.08Å; V316-T338 HydrophobicContact CB-CG2 4.32Å; V316-T338 HydrophobicContact CG2-CG2 3.88Å; N335-T338 WeakPolarHBondContact O-CB 3.35Å; N335-T338 PolarHBondContact O-N 3.04Å; N335-T338 PolarHBondContact O-OG1 2.8Å; A336-T338 PolarHBondContact O-N 3.32Å; T338-G341 PolarHBondContact O-N 3Å; T338-L342 HydrophobicContact CG2-CD1 4.13Å; T338-L342 WeakPolarHBondContact O-CG 3.13Å; T338-L342 PolarHBondContact O-N 3.16Å |
| 339 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.8 | -37.4 | -179.5 | -56 | -55.4 | 0 | 0 | 0 | 112.3 | G313 V316 W317 A336 Y337 G341 L342 Y343 H351 R354 A355 F358 | G313-F339 WeakPolarHBondContact O-CE1 3.47Å; V316-F339 HydrophobicContact CB-CE1 4.38Å; V316-F339 HydrophobicContact CB-CZ 3.97Å; V316-F339 HydrophobicContact CG1-CE1 4.45Å; V316-F339 HydrophobicContact CG1-CE2 3.85Å; V316-F339 HydrophobicContact CG1-CZ 3.67Å; W317-F339 HydrophobicContact CB-CE1 4.27Å; W317-F339 HydrophobicContact CB-CZ 4.01Å; W317-F339 HydrophobicContact CE3-CZ 4.15Å; A336-F339 WeakPolarHBondContact O-CB 3.44Å; A336-F339 PolarHBondContact O-N 3.29Å; Y337-F339 PolarHBondContact O-N 3.39Å; F339-G341 VanDerWaalsContact C-N 3.32Å; F339-G341 PolarHBondContact O-N 2.91Å; F339-L342 PolarHBondContact O-N 3.1Å; F339-Y343 VanDerWaalsContact O-CB 3.26Å; F339-Y343 WeakPolarHBondContact O-CB 3.45Å; F339-Y343 PolarHBondContact O-N 3.09Å; F339-H351 WeakPolarHBondContact CB-O 3.45Å; F339-H351 WeakPolarHBondContact O-CB 3.42Å; F339-R354 HydrophobicContact CB-CB 4.46Å; F339-R354 HydrophobicContact CD1-CB 3.8Å; F339-R354 HydrophobicContact CD2-CB 3.81Å; F339-R354 HydrophobicContact CE1-CB 3.9Å; F339-R354 HydrophobicContact CE1-CG 4.37Å; F339-R354 HydrophobicContact CE2-CB 3.91Å; F339-R354 HydrophobicContact CG-CB 3.76Å; F339-R354 HydrophobicContact CZ-CB 3.95Å; F339-A355 HydrophobicContact CB-CB 3.98Å; F339-F358 HydrophobicContact CD2-CD2 4.49Å; F339-F358 HydrophobicContact CE2-CD1 4.27Å; F339-F358 AromaticContact CE2-CD2 3.8Å; F339-F358 HydrophobicContact CE2-CD2 3.8Å; F339-F358 HydrophobicContact CE2-CE1 4.12Å; F339-F358 AromaticContact CE2-CE2 3.64Å; F339-F358 HydrophobicContact CE2-CE2 3.64Å; F339-F358 HydrophobicContact CE2-CG 4.13Å; F339-F358 AromaticContact CE2-CZ 3.82Å; F339-F358 HydrophobicContact CE2-CZ 3.82Å; F339-F358 HydrophobicContact CZ-CE2 4.2Å; F339-F358 HydrophobicContact CZ-CZ 4.29Å |
| 340 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.1 | -64.1 | 175.5 | 0 | 0 | 0 | 111.2 | A336 Y337 Y343 R344 L352 A355 F389 I393 P396 A399 | A336-L340 PolarHBondContact O-N 3.45Å; Y337-L340 HydrophobicContact CD1-CB 4.5Å; Y337-L340 HydrophobicContact CD1-CD1 3.86Å; Y337-L340 HydrophobicContact CE1-CD1 4.03Å; Y337-L340 HydrophobicContact CG-CD1 4.43Å; Y337-L340 PolarHBondContact O-N 3.44Å; L340-Y343 PolarHBondContact O-N 3.17Å; L340-R344 VanDerWaalsContact CB-NH1 3.32Å; L340-R344 WeakPolarHBondContact O-CG 3.44Å; L340-R344 PolarHBondContact O-N 2.79Å; L340-R344 PolarHBondContact O-NH1 3.08Å; L340-R344 VanDerWaalsContact O-NH1 3.13Å; L340-L352 HydrophobicContact CD2-CD1 4.39Å; L340-A355 HydrophobicContact CD2-CB 3.71Å; L340-A355 HydrophobicContact CG-CB 4Å; L340-F389 HydrophobicContact CD1-CD2 4.19Å; L340-F389 HydrophobicContact CD1-CE2 3.82Å; L340-I393 HydrophobicContact CD2-CD1 4.44Å; L340-I393 HydrophobicContact CD2-CG1 4.18Å; L340-P396 HydrophobicContact CD2-CB 4.29Å; L340-A399 HydrophobicContact CD1-CB 3.82Å |
| 341 | G | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 21 Ų | 21 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | Y337 T338 F339 R344 L345 | Y337-G341 PolarHBondContact O-N 3Å; T338-G341 PolarHBondContact O-N 3Å; F339-G341 VanDerWaalsContact C-N 3.32Å; F339-G341 PolarHBondContact O-N 2.91Å; G341-R344 VanDerWaalsContact CA-NH2 3.3Å; G341-L345 PolarHBondContact O-N 3.5Å |
| 342 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.7 | -70.4 | 167.3 | 0 | 0 | 0 | 111.8 | V290 L294 A309 L310 T338 F339 R344 L345 T346 H351 | V290-L342 HydrophobicContact CG2-CD2 4.39Å; V290-L342 HydrophobicContact CG2-CG 4.44Å; L294-L342 HydrophobicContact CD2-CD2 3.9Å; A309-L342 HydrophobicContact CB-CD2 4.01Å; L310-L342 HydrophobicContact CD2-CD2 4.15Å; T338-L342 HydrophobicContact CG2-CD1 4.13Å; T338-L342 WeakPolarHBondContact O-CG 3.13Å; T338-L342 PolarHBondContact O-N 3.16Å; F339-L342 PolarHBondContact O-N 3.1Å; L342-R344 PolarHBondContact O-N 2.61Å; L342-L345 PolarHBondContact O-N 3.27Å; L342-T346 WeakPolarHBondContact O-CB 3.46Å; L342-T346 WeakPolarHBondContact O-CG2 3.3Å; L342-T346 PolarHBondContact O-N 2.67Å; L342-T346 PolarHBondContact O-OG1 3.11Å; L342-H351 HydrophobicContact CB-CB 4.18Å |
| 343 | Y | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 22 Ų | 22 | 6% | 0.059 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 179.8 | 178.3 | -116.4 | 0 | 0 | 0 | 111.8 | G28 F339 L340 L345 T346 Q347 D348 L352 P396 M397 | G28-Y343 WeakPolarHBondContact CA-OH 3.37Å; F339-Y343 VanDerWaalsContact O-CB 3.26Å; F339-Y343 WeakPolarHBondContact O-CB 3.45Å; F339-Y343 PolarHBondContact O-N 3.09Å; L340-Y343 PolarHBondContact O-N 3.17Å; Y343-L345 PolarHBondContact O-N 3.46Å; Y343-T346 PolarHBondContact O-N 2.95Å; Y343-Q347 VanDerWaalsContact O-CA 3.25Å; Y343-Q347 WeakPolarHBondContact O-CA 3.39Å; Y343-Q347 PolarHBondContact O-N 3.19Å; Y343-D348 WeakPolarHBondContact CD2-O 3.15Å; Y343-L352 HydrophobicContact CD1-CB 4.17Å; Y343-L352 HydrophobicContact CD1-CD1 4.35Å; Y343-L352 HydrophobicContact CD2-CB 3.77Å; Y343-L352 HydrophobicContact CE1-CB 4.28Å; Y343-L352 HydrophobicContact CE1-CD1 4.44Å; Y343-L352 HydrophobicContact CE1-CD2 3.96Å; Y343-L352 HydrophobicContact CE1-CG 4.46Å; Y343-L352 HydrophobicContact CE2-CB 3.89Å; Y343-L352 HydrophobicContact CE2-CD2 4.33Å; Y343-L352 HydrophobicContact CG-CB 3.92Å; Y343-P396 HydrophobicContact CD1-CB 4.16Å; Y343-P396 HydrophobicContact CE1-CB 4.05Å; Y343-M397 HydrophobicContact CD1-SD 4.03Å; Y343-M397 HydrophobicContact CE1-CG 4.38Å; Y343-M397 HydrophobicContact CE1-SD 3.59Å; Y343-M397 VanDerWaalsContact CE1-SD 3.59Å |
| 344 | R | 98.3 | Very high | 98.6 | Very high | 30 Ų | 30 | 22 Ų | 22 | 11% | 0.113 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.6 | -32.8 | 178.7 | -76.4 | -171.4 | -59.9 | -84.5 | 4.6 | 113.7 | L340 G341 L342 M397 A399 R400 E405 | L340-R344 VanDerWaalsContact CB-NH1 3.32Å; L340-R344 WeakPolarHBondContact O-CG 3.44Å; L340-R344 PolarHBondContact O-N 2.79Å; L340-R344 PolarHBondContact O-NH1 3.08Å; L340-R344 VanDerWaalsContact O-NH1 3.13Å; G341-R344 VanDerWaalsContact CA-NH2 3.3Å; L342-R344 PolarHBondContact O-N 2.61Å; R344-M397 WeakPolarHBondContact CD-O 3.47Å; R344-M397 HydrophobicContact CG-SD 4.31Å; R344-A399 PolarHBondContact NE-O 2.78Å; R344-A399 PolarHBondContact NH1-O 3.42Å; R344-R400 VanDerWaalsContact NE-NH1 3.19Å; R344-E405 IonicContact CZ-OE1 3.91Å; R344-E405 IonicContact CZ-OE2 3.11Å; R344-E405 IonicContact NE-OE1 3.95Å; R344-E405 IonicContact NH2-OE1 3.02Å; R344-E405 PolarHBondContact NH2-OE1 2.99Å; R344-E405 IonicContact NH2-OE2 3.79Å; R344-E405 PolarHBondContact NH2-OE2 3.15Å |
| 345 | L | 98.1 | Very high | 98.6 | Very high | 45 Ų | 45 | 22 Ų | 22 | 24% | 0.236 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -85 | -44.1 | -179.2 | -176.9 | 69.2 | 0 | 0 | 0 | 112.3 | L294 Y297 K298 L306 G341 L342 Y343 | L294-L345 HydrophobicContact CD2-CB 4.39Å; L294-L345 HydrophobicContact CD2-CD2 3.35Å; L294-L345 HydrophobicContact CG-CD2 4.49Å; Y297-L345 HydrophobicContact CD1-CD1 4.07Å; Y297-L345 HydrophobicContact CD1-CD2 3.64Å; Y297-L345 HydrophobicContact CD1-CG 4.29Å; Y297-L345 HydrophobicContact CE1-CD1 4.15Å; Y297-L345 HydrophobicContact CE1-CD2 4.1Å; Y297-L345 HydrophobicContact CE1-CG 4.36Å; K298-L345 HydrophobicContact CD-CD1 4.44Å; K298-L345 HydrophobicContact CG-CD1 3.91Å; L306-L345 HydrophobicContact CD1-CD2 3.72Å; G341-L345 PolarHBondContact O-N 3.5Å; L342-L345 PolarHBondContact O-N 3.27Å; Y343-L345 PolarHBondContact O-N 3.46Å |
| 346 | T | 98.3 | Very high | 98.6 | Very high | 47 Ų | 47 | 22 Ų | 22 | 29% | 0.288 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -94.4 | -25.2 | -170 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | L306 L342 Y343 D348 H351 | L306-T346 HydrophobicContact CD1-CG2 3.97Å; L342-T346 WeakPolarHBondContact O-CB 3.46Å; L342-T346 WeakPolarHBondContact O-CG2 3.3Å; L342-T346 PolarHBondContact O-N 2.67Å; L342-T346 PolarHBondContact O-OG1 3.11Å; Y343-T346 PolarHBondContact O-N 2.95Å; T346-D348 PolarHBondContact O-N 3.11Å; T346-D348 VanDerWaalsContact O-N 3.15Å; T346-D348 PolarHBondContact OG1-N 3.43Å; T346-H351 PolarHBondContact OG1-CD2 3.23Å; T346-H351 VanDerWaalsContact OG1-CD2 3.31Å |
| 347 | Q | 97.6 | Very high | 98.6 | Very high | 137 Ų | 137 | 22.9 Ų | 22.9 | 64% | 0.64 | 12% | 0.116 | S | C | * | . | trans | 55.2 | 17.9 | -167 | -55 | -172.8 | 5.2 | 0 | 0 | 114.2 | Y343 P349 | Y343-Q347 VanDerWaalsContact O-CA 3.25Å; Y343-Q347 WeakPolarHBondContact O-CA 3.39Å; Y343-Q347 PolarHBondContact O-N 3.19Å; Q347-P349 WeakPolarHBondContact O-CD 3.36Å | ||
| 348 | D | 97.7 | Very high | 98.6 | Very high | 64 Ų | 64 | 22.9 Ų | 22.9 | 34% | 0.342 | 12% | 0.116 | S | C | . | . | trans | -73.6 | 118 | 175.7 | -179.7 | -12.2 | 0 | 0 | 0 | 110 | Y343 T346 K350 H351 | Y343-D348 WeakPolarHBondContact CD2-O 3.15Å; T346-D348 PolarHBondContact O-N 3.11Å; T346-D348 VanDerWaalsContact O-N 3.15Å; T346-D348 PolarHBondContact OG1-N 3.43Å; D348-K350 PolarHBondContact O-N 2.98Å; D348-K350 WeakPolarHBondContact OD1-CB 3.44Å; D348-K350 PolarHBondContact OD1-N 3.12Å; D348-H351 PolarHBondContact O-N 3.45Å | ||
| 349 | P | 97.8 | Very high | 98.6 | Very high | 49 Ų | 49 | 22.9 Ų | 22.9 | 32% | 0.318 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -58.5 | -21.7 | -178.8 | 24.9 | -35.4 | 0 | 0 | 0 | 113.6 | Y13 F24 Q347 H351 L352 Y353 | Y13-P349 HydrophobicContact CE1-CG 3.99Å; F24-P349 HydrophobicContact CE2-CB 4.04Å; F24-P349 HydrophobicContact CZ-CB 4.45Å; Q347-P349 WeakPolarHBondContact O-CD 3.36Å; P349-H351 PolarHBondContact O-N 3.22Å; P349-L352 PolarHBondContact O-N 3.12Å; P349-Y353 WeakPolarHBondContact O-CB 3.27Å; P349-Y353 PolarHBondContact O-N 2.74Å |
| 350 | K | 98.4 | Very high | 98.5 | Very high | 46 Ų | 46 | 24.8 Ų | 24.8 | 20% | 0.2 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -51.3 | -43.8 | 172 | -179.9 | 171.9 | 171.9 | -172 | 0 | 111.7 | Y13 E314 D348 Y353 R354 | Y13-K350 HydrophobicContact CD1-CB 3.65Å; Y13-K350 HydrophobicContact CD1-CG 4.23Å; Y13-K350 HydrophobicContact CE1-CB 4.4Å; Y13-K350 HydrophobicContact CG-CB 4.35Å; E314-K350 IonicContact OE1-NZ 3.93Å; E314-K350 PolarHBondContact OE1-NZ 2.88Å; D348-K350 PolarHBondContact O-N 2.98Å; D348-K350 WeakPolarHBondContact OD1-CB 3.44Å; D348-K350 PolarHBondContact OD1-N 3.12Å; K350-Y353 WeakPolarHBondContact O-CB 3.38Å; K350-Y353 PolarHBondContact O-N 2.91Å; K350-R354 WeakPolarHBondContact O-CG 3.19Å; K350-R354 PolarHBondContact O-N 3.13Å |
| 351 | H | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.6 | -41.3 | -176.8 | -61.8 | -50.1 | 0 | 0 | 0 | 111.6 | L310 F339 L342 T346 D348 P349 Y353 R354 A355 | L310-H351 VanDerWaalsContact CD2-NE2 3.27Å; L310-H351 WeakPolarHBondContact CD2-NE2 3.33Å; F339-H351 WeakPolarHBondContact CB-O 3.45Å; F339-H351 WeakPolarHBondContact O-CB 3.42Å; L342-H351 HydrophobicContact CB-CB 4.18Å; T346-H351 PolarHBondContact OG1-CD2 3.23Å; T346-H351 VanDerWaalsContact OG1-CD2 3.31Å; D348-H351 PolarHBondContact O-N 3.45Å; P349-H351 PolarHBondContact O-N 3.22Å; H351-Y353 VanDerWaalsContact C-N 3.32Å; H351-Y353 PolarHBondContact O-N 3.37Å; H351-R354 PolarHBondContact O-N 3.35Å; H351-A355 PolarHBondContact O-N 2.97Å |
| 352 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 174.2 | -176.2 | 56.7 | 0 | 0 | 0 | 111.5 | F24 G28 L340 Y343 P349 R354 A355 C356 P396 | F24-L352 HydrophobicContact CB-CD2 4.19Å; F24-L352 HydrophobicContact CD1-CD2 3.69Å; F24-L352 HydrophobicContact CD1-CG 3.7Å; F24-L352 HydrophobicContact CD2-CD2 3.82Å; F24-L352 HydrophobicContact CE1-CB 4.03Å; F24-L352 HydrophobicContact CE1-CD2 3.95Å; F24-L352 HydrophobicContact CE1-CG 3.59Å; F24-L352 HydrophobicContact CE2-CB 4.47Å; F24-L352 HydrophobicContact CE2-CD2 4.05Å; F24-L352 HydrophobicContact CE2-CG 4.39Å; F24-L352 HydrophobicContact CG-CD2 3.63Å; F24-L352 HydrophobicContact CG-CG 4.18Å; F24-L352 HydrophobicContact CZ-CB 3.95Å; F24-L352 HydrophobicContact CZ-CD2 4.11Å; F24-L352 HydrophobicContact CZ-CG 3.94Å; G28-L352 WeakPolarHBondContact O-CD2 3.37Å; L340-L352 HydrophobicContact CD2-CD1 4.39Å; Y343-L352 HydrophobicContact CD1-CB 4.17Å; Y343-L352 HydrophobicContact CD1-CD1 4.35Å; Y343-L352 HydrophobicContact CD2-CB 3.77Å; Y343-L352 HydrophobicContact CE1-CB 4.28Å; Y343-L352 HydrophobicContact CE1-CD1 4.44Å; Y343-L352 HydrophobicContact CE1-CD2 3.96Å; Y343-L352 HydrophobicContact CE1-CG 4.46Å; Y343-L352 HydrophobicContact CE2-CB 3.89Å; Y343-L352 HydrophobicContact CE2-CD2 4.33Å; Y343-L352 HydrophobicContact CG-CB 3.92Å; P349-L352 PolarHBondContact O-N 3.12Å; L352-R354 PolarHBondContact O-N 2.98Å; L352-A355 WeakPolarHBondContact O-CB 3.27Å; L352-A355 PolarHBondContact O-N 2.89Å; L352-C356 PolarHBondContact O-N 3.44Å; L352-C356 PolarHBondContact O-SG 3.45Å; L352-P396 HydrophobicContact CD1-CB 3.67Å; L352-P396 HydrophobicContact CD1-CG 3.69Å; L352-P396 HydrophobicContact CD2-CG 4.44Å |
| 353 | Y | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 25.7 Ų | 25.7 | 9% | 0.09 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.7 | -51.4 | 173.4 | 175.6 | -92 | 0 | 0 | 0 | 112.1 | H11 Y13 T20 L23 W317 P349 K350 H351 A355 C356 M357 | H11-Y353 WeakPolarHBondContact O-CE1 3.41Å; H11-Y353 PolarHBondContact O-OH 3.15Å; H11-Y353 VanDerWaalsContact O-OH 3.08Å; Y13-Y353 HydrophobicContact CD2-CD2 4.5Å; Y13-Y353 HydrophobicContact CD2-CG 4.37Å; T20-Y353 HydrophobicContact CG2-CD2 4.01Å; L23-Y353 HydrophobicContact CD1-CD2 3.65Å; L23-Y353 HydrophobicContact CD1-CE2 3.85Å; W317-Y353 HydrophobicContact CH2-CE1 4.36Å; P349-Y353 WeakPolarHBondContact O-CB 3.27Å; P349-Y353 PolarHBondContact O-N 2.74Å; K350-Y353 WeakPolarHBondContact O-CB 3.38Å; K350-Y353 PolarHBondContact O-N 2.91Å; H351-Y353 VanDerWaalsContact C-N 3.32Å; H351-Y353 PolarHBondContact O-N 3.37Å; Y353-A355 VanDerWaalsContact C-N 3.31Å; Y353-A355 PolarHBondContact O-N 3.47Å; Y353-C356 WeakPolarHBondContact O-CB 3.45Å; Y353-C356 PolarHBondContact O-N 3.27Å; Y353-C356 VanDerWaalsContact O-N 3.08Å; Y353-M357 HydrophobicContact CD1-CG 4.13Å; Y353-M357 HydrophobicContact CE1-CG 3.63Å; Y353-M357 HydrophobicContact CE1-SD 4.37Å; Y353-M357 HydrophobicContact CE2-CE 4.16Å; Y353-M357 HydrophobicContact CE2-CG 4.38Å; Y353-M357 HydrophobicContact CE2-SD 4.3Å; Y353-M357 WeakPolarHBondContact O-CG 3.44Å; Y353-M357 PolarHBondContact O-N 2.93Å |
| 354 | R | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 178.9 | -69.3 | -177.5 | 169.9 | 179.2 | -8.4 | 112.1 | D12 G313 E314 W317 F339 K350 H351 L352 M357 F358 | D12-R354 IonicContact OD1-CZ 3.06Å; D12-R354 IonicContact OD1-NE 3.43Å; D12-R354 PolarHBondContact OD1-NE 2.89Å; D12-R354 IonicContact OD1-NH2 3.58Å; D12-R354 PolarHBondContact OD1-NH2 3.34Å; D12-R354 IonicContact OD2-CZ 3.39Å; D12-R354 IonicContact OD2-NE 2.78Å; D12-R354 IonicContact OD2-NH2 2.83Å; D12-R354 PolarHBondContact OD2-NH2 2.93Å; G313-R354 PolarHBondContact O-NH1 2.73Å; E314-R354 VanDerWaalsContact CD-NH1 3.33Å; E314-R354 VanDerWaalsContact CD-NH2 3.32Å; E314-R354 IonicContact OE1-CZ 3.7Å; E314-R354 IonicContact OE1-NH1 3.55Å; E314-R354 PolarHBondContact OE1-NH1 3.25Å; E314-R354 IonicContact OE1-NH2 2.72Å; E314-R354 PolarHBondContact OE1-NH2 3.41Å; E314-R354 IonicContact OE2-CZ 3.09Å; E314-R354 IonicContact OE2-NH1 2.65Å; E314-R354 PolarHBondContact OE2-NH1 3.38Å; E314-R354 IonicContact OE2-NH2 2.64Å; E314-R354 PolarHBondContact OE2-NH2 3.46Å; W317-R354 VanDerWaalsContact CD1-NH2 3.34Å; W317-R354 HydrophobicContact CD2-CG 3.85Å; W317-R354 HydrophobicContact CE3-CB 3.74Å; W317-R354 HydrophobicContact CE3-CG 3.4Å; W317-R354 VanDerWaalsContact CE3-CG 3.4Å; W317-R354 VanDerWaalsContact CG-CZ 3.43Å; W317-R354 HydrophobicContact CH2-CG 4.2Å; W317-R354 HydrophobicContact CZ3-CB 3.81Å; W317-R354 HydrophobicContact CZ3-CG 3.6Å; F339-R354 HydrophobicContact CB-CB 4.46Å; F339-R354 HydrophobicContact CD1-CB 3.8Å; F339-R354 HydrophobicContact CD2-CB 3.81Å; F339-R354 HydrophobicContact CE1-CB 3.9Å; F339-R354 HydrophobicContact CE1-CG 4.37Å; F339-R354 HydrophobicContact CE2-CB 3.91Å; F339-R354 HydrophobicContact CG-CB 3.76Å; F339-R354 HydrophobicContact CZ-CB 3.95Å; K350-R354 WeakPolarHBondContact O-CG 3.19Å; K350-R354 PolarHBondContact O-N 3.13Å; H351-R354 PolarHBondContact O-N 3.35Å; L352-R354 PolarHBondContact O-N 2.98Å; R354-M357 PolarHBondContact O-N 3.4Å; R354-F358 WeakPolarHBondContact O-CD2 3.36Å; R354-F358 PolarHBondContact O-N 3.33Å |
| 355 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F339 L340 H351 L352 Y353 M357 F358 A359 I393 | F339-A355 HydrophobicContact CB-CB 3.98Å; L340-A355 HydrophobicContact CD2-CB 3.71Å; L340-A355 HydrophobicContact CG-CB 4Å; H351-A355 PolarHBondContact O-N 2.97Å; L352-A355 WeakPolarHBondContact O-CB 3.27Å; L352-A355 PolarHBondContact O-N 2.89Å; Y353-A355 VanDerWaalsContact C-N 3.31Å; Y353-A355 PolarHBondContact O-N 3.47Å; A355-M357 PolarHBondContact O-N 3.09Å; A355-F358 PolarHBondContact O-N 3.16Å; A355-A359 PolarHBondContact O-N 3.46Å; A355-I393 HydrophobicContact CB-CD1 3.86Å |
| 356 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -37.7 | 176.2 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | L23 F34 L352 Y353 F358 A359 D360 | L23-C356 HydrophobicContact CD1-CB 4.09Å; L23-C356 HydrophobicContact CD2-CB 4.35Å; F34-C356 HydrophobicContact CE1-CB 3.81Å; F34-C356 VanDerWaalsContact CE1-SG 3.59Å; F34-C356 HydrophobicContact CZ-CB 3.86Å; L352-C356 PolarHBondContact O-N 3.44Å; L352-C356 PolarHBondContact O-SG 3.45Å; Y353-C356 WeakPolarHBondContact O-CB 3.45Å; Y353-C356 PolarHBondContact O-N 3.27Å; Y353-C356 VanDerWaalsContact O-N 3.08Å; C356-F358 VanDerWaalsContact C-N 3.35Å; C356-A359 WeakPolarHBondContact O-CB 3.23Å; C356-A359 PolarHBondContact O-N 2.96Å; C356-D360 PolarHBondContact O-N 3.23Å |
| 357 | M | 98.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 9% | 0.094 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | 174.9 | -66 | -56.9 | 95.2 | 0 | 0 | 111.9 | Y10 L23 W317 Y353 R354 A355 A359 D360 W361 | Y10-M357 HydrophobicContact CD1-CB 4.32Å; Y10-M357 HydrophobicContact CD1-CG 4.35Å; Y10-M357 HydrophobicContact CD1-SD 3.64Å; Y10-M357 HydrophobicContact CD2-CB 3.94Å; Y10-M357 HydrophobicContact CE1-SD 4.23Å; Y10-M357 HydrophobicContact CE2-CB 4.4Å; Y10-M357 WeakPolarHBondContact CE2-O 3.26Å; Y10-M357 HydrophobicContact CG-CB 3.91Å; Y10-M357 HydrophobicContact CG-CG 4.12Å; Y10-M357 HydrophobicContact CG-SD 4Å; L23-M357 HydrophobicContact CD1-CE 3.49Å; L23-M357 VanDerWaalsContact CD1-CE 3.49Å; L23-M357 HydrophobicContact CD2-CE 4.02Å; L23-M357 HydrophobicContact CG-CE 4.4Å; W317-M357 HydrophobicContact CH2-CB 4.08Å; W317-M357 HydrophobicContact CH2-CG 4.07Å; W317-M357 HydrophobicContact CZ3-CB 4.02Å; W317-M357 HydrophobicContact CZ3-CG 4.41Å; Y353-M357 HydrophobicContact CD1-CG 4.13Å; Y353-M357 HydrophobicContact CE1-CG 3.63Å; Y353-M357 HydrophobicContact CE1-SD 4.37Å; Y353-M357 HydrophobicContact CE2-CE 4.16Å; Y353-M357 HydrophobicContact CE2-CG 4.38Å; Y353-M357 HydrophobicContact CE2-SD 4.3Å; Y353-M357 WeakPolarHBondContact O-CG 3.44Å; Y353-M357 PolarHBondContact O-N 2.93Å; R354-M357 PolarHBondContact O-N 3.4Å; A355-M357 PolarHBondContact O-N 3.09Å; M357-A359 VanDerWaalsContact C-N 3.34Å; M357-D360 PolarHBondContact O-N 3.23Å; M357-W361 PolarHBondContact O-N 2.87Å |
| 358 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.5 | -32.5 | 172.9 | -84.4 | -126.4 | 0 | 0 | 0 | 112 | V316 W317 L321 A332 N335 A336 F339 R354 A355 C356 W361 C362 | V316-F358 HydrophobicContact CG1-CE1 4.14Å; V316-F358 HydrophobicContact CG1-CZ 4.22Å; V316-F358 WeakPolarHBondContact O-CZ 3.33Å; W317-F358 HydrophobicContact CE3-CD2 4.41Å; W317-F358 AromaticContact CE3-CE2 3.79Å; W317-F358 HydrophobicContact CE3-CE2 3.79Å; W317-F358 HydrophobicContact CZ3-CD2 4.21Å; W317-F358 AromaticContact CZ3-CE2 3.96Å; W317-F358 HydrophobicContact CZ3-CE2 3.96Å; L321-F358 HydrophobicContact CD2-CD1 3.82Å; L321-F358 HydrophobicContact CD2-CD2 4.04Å; L321-F358 HydrophobicContact CD2-CE1 3.65Å; L321-F358 HydrophobicContact CD2-CE2 3.86Å; L321-F358 HydrophobicContact CD2-CG 4.01Å; L321-F358 HydrophobicContact CD2-CZ 3.66Å; L321-F358 HydrophobicContact CG-CE1 4.29Å; L321-F358 HydrophobicContact CG-CE2 4.15Å; L321-F358 HydrophobicContact CG-CZ 3.9Å; A332-F358 WeakPolarHBondContact O-CD1 3.43Å; N335-F358 HydrophobicContact CB-CE1 4.09Å; A336-F358 HydrophobicContact CB-CB 3.56Å; A336-F358 HydrophobicContact CB-CD1 3.93Å; A336-F358 HydrophobicContact CB-CG 4.09Å; F339-F358 HydrophobicContact CD2-CD2 4.49Å; F339-F358 HydrophobicContact CE2-CD1 4.27Å; F339-F358 AromaticContact CE2-CD2 3.8Å; F339-F358 HydrophobicContact CE2-CD2 3.8Å; F339-F358 HydrophobicContact CE2-CE1 4.12Å; F339-F358 AromaticContact CE2-CE2 3.64Å; F339-F358 HydrophobicContact CE2-CE2 3.64Å; F339-F358 HydrophobicContact CE2-CG 4.13Å; F339-F358 AromaticContact CE2-CZ 3.82Å; F339-F358 HydrophobicContact CE2-CZ 3.82Å; F339-F358 HydrophobicContact CZ-CE2 4.2Å; F339-F358 HydrophobicContact CZ-CZ 4.29Å; R354-F358 WeakPolarHBondContact O-CD2 3.36Å; R354-F358 PolarHBondContact O-N 3.33Å; A355-F358 PolarHBondContact O-N 3.16Å; C356-F358 VanDerWaalsContact C-N 3.35Å; F358-W361 WeakPolarHBondContact O-CB 3.15Å; F358-W361 PolarHBondContact O-N 3.39Å; F358-C362 WeakPolarHBondContact O-CB 3.41Å; F358-C362 PolarHBondContact O-N 3.29Å; F358-C362 PolarHBondContact O-SG 3.37Å; F358-C362 VanDerWaalsContact O-SG 3.33Å |
| 359 | A | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F34 L38 A355 C356 M357 W361 C362 M363 F389 L390 I393 | F34-A359 HydrophobicContact CZ-CB 4.4Å; L38-A359 HydrophobicContact CD2-CB 3.97Å; A355-A359 PolarHBondContact O-N 3.46Å; C356-A359 WeakPolarHBondContact O-CB 3.23Å; C356-A359 PolarHBondContact O-N 2.96Å; M357-A359 VanDerWaalsContact C-N 3.34Å; A359-W361 VanDerWaalsContact C-N 3.3Å; A359-W361 PolarHBondContact O-N 3.49Å; A359-C362 CarbonylContact O-C 3.51Å; A359-C362 PolarHBondContact O-N 2.83Å; A359-C362 VanDerWaalsContact O-N 3.14Å; A359-M363 WeakPolarHBondContact O-CG 3.4Å; A359-M363 PolarHBondContact O-N 3.28Å; A359-F389 HydrophobicContact CB-CE1 3.86Å; A359-F389 HydrophobicContact CB-CZ 3.99Å; A359-L390 HydrophobicContact CB-CD2 3.91Å; A359-I393 HydrophobicContact CB-CD1 4.05Å; A359-I393 HydrophobicContact CB-CG2 4.5Å |
| 360 | D | 98.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -43.7 | 172.1 | -177.9 | 83.4 | 0 | 0 | 0 | 111.8 | Y10 R37 C356 M357 C362 M363 N364 | Y10-D360 WeakPolarHBondContact CE1-OD2 3.37Å; Y10-D360 PolarHBondContact OH-OD2 2.93Å; R37-D360 IonicContact NH1-OD1 2.71Å; C356-D360 PolarHBondContact O-N 3.23Å; M357-D360 PolarHBondContact O-N 3.23Å; D360-C362 PolarHBondContact O-N 3.27Å; D360-M363 HydrophobicContact CB-CE 4.37Å; D360-M363 PolarHBondContact O-N 3.46Å; D360-N364 PolarHBondContact O-N 3.46Å; D360-N364 PolarHBondContact O-ND2 3.44Å |
| 361 | W | 98.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 173.5 | -178.6 | -90.7 | 0 | 0 | 0 | 112.2 | L6 P9 Y10 L321 Y326 M357 F358 A359 M363 N364 R368 | L6-W361 HydrophobicContact CB-CH2 4.12Å; L6-W361 HydrophobicContact CB-CZ2 4.38Å; L6-W361 HydrophobicContact CD1-CH2 3.73Å; L6-W361 HydrophobicContact CD1-CZ2 3.47Å; L6-W361 VanDerWaalsContact CD1-CZ2 3.47Å; P9-W361 HydrophobicContact CG-CE3 4.38Å; P9-W361 HydrophobicContact CG-CZ3 4.06Å; Y10-W361 HydrophobicContact CE2-CB 4.09Å; Y10-W361 AromaticContact CE2-CE3 3.97Å; Y10-W361 HydrophobicContact CE2-CE3 3.97Å; Y10-W361 WeakPolarHBondContact OH-CA 3.27Å; Y10-W361 PolarHBondContact OH-N 3.17Å; L321-W361 HydrophobicContact CB-CZ2 4.45Å; L321-W361 HydrophobicContact CD1-CD2 4Å; L321-W361 HydrophobicContact CD1-CE3 3.8Å; L321-W361 HydrophobicContact CD1-CZ3 4.07Å; L321-W361 HydrophobicContact CD2-CB 4.1Å; L321-W361 HydrophobicContact CD2-CD2 3.89Å; L321-W361 HydrophobicContact CD2-CE3 4.5Å; L321-W361 HydrophobicContact CD2-CG 3.67Å; L321-W361 HydrophobicContact CG-CD2 4.41Å; Y326-W361 AromaticContact CD1-CD1 3.75Å; Y326-W361 AromaticContact CD1-NE1 3.79Å; Y326-W361 AromaticContact CE1-CD1 3.44Å; Y326-W361 VanDerWaalsContact CE1-CD1 3.44Å; Y326-W361 HydrophobicContact CE1-CG 4.44Å; Y326-W361 AromaticContact CE1-NE1 3.23Å; M357-W361 PolarHBondContact O-N 2.87Å; F358-W361 WeakPolarHBondContact O-CB 3.15Å; F358-W361 PolarHBondContact O-N 3.39Å; A359-W361 VanDerWaalsContact C-N 3.3Å; A359-W361 PolarHBondContact O-N 3.49Å; W361-M363 VanDerWaalsContact C-N 3.32Å; W361-M363 PolarHBondContact O-N 3.31Å; W361-N364 PolarHBondContact O-N 3.48Å; W361-N364 VanDerWaalsContact O-N 3.15Å; W361-R368 HydrophobicContact CH2-CB 4.2Å; W361-R368 HydrophobicContact CH2-CG 3.76Å; W361-R368 HydrophobicContact CZ2-CB 3.87Å; W361-R368 HydrophobicContact CZ2-CG 3.57Å; W361-R368 HydrophobicContact CZ3-CG 4.35Å |
| 362 | C | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -31 | 177.6 | -74 | 0 | 0 | 0 | 0 | 113.2 | F358 A359 D360 N364 Y365 T386 L390 | F358-C362 WeakPolarHBondContact O-CB 3.41Å; F358-C362 PolarHBondContact O-N 3.29Å; F358-C362 PolarHBondContact O-SG 3.37Å; F358-C362 VanDerWaalsContact O-SG 3.33Å; A359-C362 CarbonylContact O-C 3.51Å; A359-C362 PolarHBondContact O-N 2.83Å; A359-C362 VanDerWaalsContact O-N 3.14Å; D360-C362 PolarHBondContact O-N 3.27Å; C362-N364 PolarHBondContact O-N 2.75Å; C362-Y365 WeakPolarHBondContact O-CB 3.29Å; C362-Y365 PolarHBondContact O-N 2.92Å; C362-Y365 VanDerWaalsContact O-N 3.15Å; C362-T386 HydrophobicContact CB-CG2 3.75Å; C362-L390 HydrophobicContact CB-CD2 4.05Å |
| 363 | M | 97.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -19.1 | 174.7 | -69.3 | -167.6 | -73 | 0 | 0 | 112.8 | F34 R37 L38 K41 A359 D360 W361 Y365 L390 | F34-M363 HydrophobicContact CD2-CE 4.48Å; F34-M363 HydrophobicContact CE2-CE 3.73Å; F34-M363 HydrophobicContact CZ-CE 4.49Å; R37-M363 HydrophobicContact CB-SD 4.21Å; L38-M363 HydrophobicContact CD2-CE 4.2Å; L38-M363 HydrophobicContact CD2-CG 4.33Å; L38-M363 HydrophobicContact CD2-SD 3.84Å; L38-M363 HydrophobicContact CG-SD 4.33Å; K41-M363 HydrophobicContact CB-CB 4.49Å; K41-M363 HydrophobicContact CB-CG 4Å; K41-M363 HydrophobicContact CB-SD 4.21Å; K41-M363 WeakPolarHBondContact CD-O 3.37Å; K41-M363 WeakPolarHBondContact CE-O 3.06Å; K41-M363 HydrophobicContact CG-CB 3.97Å; K41-M363 HydrophobicContact CG-CG 3.84Å; K41-M363 PolarHBondContact NZ-O 3.46Å; A359-M363 WeakPolarHBondContact O-CG 3.4Å; A359-M363 PolarHBondContact O-N 3.28Å; D360-M363 HydrophobicContact CB-CE 4.37Å; D360-M363 PolarHBondContact O-N 3.46Å; W361-M363 VanDerWaalsContact C-N 3.32Å; W361-M363 PolarHBondContact O-N 3.31Å; M363-Y365 VanDerWaalsContact C-N 3.25Å; M363-Y365 PolarHBondContact O-N 2.96Å; M363-L390 HydrophobicContact CG-CD1 4.34Å; M363-L390 HydrophobicContact CG-CD2 4.08Å |
| 364 | N | 95 | Very high | 94.2 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 32.6 | 171.3 | -68.1 | -81.1 | 0 | 0 | 0 | 112.4 | D360 W361 C362 G366 H367 | D360-N364 PolarHBondContact O-N 3.46Å; D360-N364 PolarHBondContact O-ND2 3.44Å; W361-N364 PolarHBondContact O-N 3.48Å; W361-N364 VanDerWaalsContact O-N 3.15Å; C362-N364 PolarHBondContact O-N 2.75Å; N364-G366 PolarHBondContact O-N 3.27Å; N364-H367 PolarHBondContact O-N 3.15Å; N364-H367 VanDerWaalsContact O-N 3.16Å |
| 365 | Y | 93.3 | Very high | 94.1 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 134.5 | -179.2 | -161.4 | -80.5 | 0 | 0 | 0 | 112 | L45 Y326 C362 M363 H367 M383 T386 | L45-Y365 HydrophobicContact CD2-CG 4.35Å; Y326-Y365 HydrophobicContact CD1-CD2 4.39Å; Y326-Y365 AromaticContact CD2-CD2 3.76Å; Y326-Y365 HydrophobicContact CD2-CD2 3.76Å; Y326-Y365 AromaticContact CD2-CE2 3.71Å; Y326-Y365 HydrophobicContact CD2-CE2 3.71Å; Y326-Y365 HydrophobicContact CD2-CG 4.28Å; Y326-Y365 HydrophobicContact CE2-CD2 4.39Å; Y326-Y365 HydrophobicContact CE2-CG 4.5Å; Y326-Y365 AromaticContact CG-CD2 3.77Å; Y326-Y365 HydrophobicContact CG-CD2 3.77Å; Y326-Y365 AromaticContact CG-CE2 3.85Å; Y326-Y365 HydrophobicContact CG-CE2 3.85Å; C362-Y365 WeakPolarHBondContact O-CB 3.29Å; C362-Y365 PolarHBondContact O-N 2.92Å; C362-Y365 VanDerWaalsContact O-N 3.15Å; M363-Y365 VanDerWaalsContact C-N 3.25Å; M363-Y365 PolarHBondContact O-N 2.96Å; Y365-H367 VanDerWaalsContact C-N 3.25Å; Y365-H367 PolarHBondContact O-CD2 3.08Å; Y365-H367 VanDerWaalsContact O-CD2 3.25Å; Y365-H367 PolarHBondContact O-N 3.24Å; Y365-M383 HydrophobicContact CD1-CE 4.04Å; Y365-M383 HydrophobicContact CE1-CE 3.66Å; Y365-T386 HydrophobicContact CD2-CG2 4.05Å; Y365-T386 HydrophobicContact CE2-CG2 4.34Å |
| 366 | G | 88.2 | Confident | 94.1 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 57% | 0.567 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -14.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N364 R368 | N364-G366 PolarHBondContact O-N 3.27Å; G366-R368 PolarHBondContact O-N 2.85Å |
| 367 | H | 85.4 | Confident | 94.1 | Very high | 147 Ų | 147 | 56.7 Ų | 56.7 | 68% | 0.681 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 7 | -175.5 | -62.2 | -72.3 | 0 | 0 | 0 | 115.2 | N364 Y365 | N364-H367 PolarHBondContact O-N 3.15Å; N364-H367 VanDerWaalsContact O-N 3.16Å; Y365-H367 VanDerWaalsContact C-N 3.25Å; Y365-H367 PolarHBondContact O-CD2 3.08Å; Y365-H367 VanDerWaalsContact O-CD2 3.25Å; Y365-H367 PolarHBondContact O-N 3.24Å |
| 368 | R | 84.4 | Confident | 94.1 | Very high | 99 Ų | 99 | 56 Ų | 56 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 9.1 | -173.2 | -53.5 | -68 | -166.8 | -179.2 | 2 | 114.6 | L6 Y326 W361 G366 C370 | L6-R368 HydrophobicContact CD1-CB 4.28Å; Y326-R368 VanDerWaalsContact OH-CB 3.24Å; Y326-R368 WeakPolarHBondContact OH-CB 3.5Å; Y326-R368 WeakPolarHBondContact OH-CG 3.29Å; W361-R368 HydrophobicContact CH2-CB 4.2Å; W361-R368 HydrophobicContact CH2-CG 3.76Å; W361-R368 HydrophobicContact CZ2-CB 3.87Å; W361-R368 HydrophobicContact CZ2-CG 3.57Å; W361-R368 HydrophobicContact CZ3-CG 4.35Å; G366-R368 PolarHBondContact O-N 2.85Å; R368-C370 PolarHBondContact O-N 3.19Å |
| 369 | G | 84.3 | Confident | 94.1 | Very high | 75 Ų | 75 | 56 Ų | 56 | 77% | 0.773 | 31% | 0.309 | S | S | * | . | trans | 66.2 | 23.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 370 | C | 90.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 56 Ų | 56 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.1 | 173.4 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | Y326 R368 | Y326-C370 HydrophobicContact CE2-CB 3.9Å; R368-C370 PolarHBondContact O-N 3.19Å |
| 371 | R | 88.9 | Confident | 94.1 | Very high | 186 Ų | 186 | 55.6 Ų | 55.6 | 70% | 0.702 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 148.7 | 174.5 | -59.4 | 179.7 | -170.3 | 177.5 | -0.4 | 110.5 | ||
| 372 | T | 92.3 | Very high | 94.1 | Very high | 112 Ų | 112 | 55.2 Ų | 55.2 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 130.8 | 167.1 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | P376 | T372-P376 HydrophobicContact CG2-CB 4.04Å; T372-P376 HydrophobicContact CG2-CG 3.74Å |
| 373 | P | 94.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 160.2 | 174.5 | -19.2 | 31.6 | 0 | 0 | 0 | 112.5 | T375 P376 E381 | P373-T375 VanDerWaalsContact C-N 3.3Å; P373-T375 PolarHBondContact O-N 3.2Å; P373-P376 WeakPolarHBondContact O-CG 3.36Å; P373-E381 HydrophobicContact CB-CB 4.04Å; P373-E381 VanDerWaalsContact CG-O 3.26Å; P373-E381 WeakPolarHBondContact CG-O 3.35Å |
| 374 | D | 96 | Very high | 94.1 | Very high | 153 Ų | 153 | 55.1 Ų | 55.1 | 82% | 0.818 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -63.7 | -38.2 | 177.4 | -63.6 | -22.5 | 0 | 0 | 0 | 111.3 | P376 | D374-P376 WeakPolarHBondContact O-CD 3.24Š|
| 375 | T | 96.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -114.3 | 85.5 | 167.8 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | T65 P373 F377 S378 E381 | T65-T375 HydrophobicContact CG2-CG2 3.94Å; T65-T375 VanDerWaalsContact CG2-OG1 3.31Å; T65-T375 WeakPolarHBondContact CG2-OG1 3.17Å; P373-T375 VanDerWaalsContact C-N 3.3Å; P373-T375 PolarHBondContact O-N 3.2Å; T375-F377 PolarHBondContact O-N 2.79Å; T375-S378 PolarHBondContact O-N 2.71Å; T375-S378 VanDerWaalsContact O-N 3.13Å; T375-S378 PolarHBondContact O-OG 2.93Å; T375-S378 VanDerWaalsContact O-OG 3.04Å; T375-S378 VanDerWaalsContact OG1-CB 3.25Å; T375-S378 WeakPolarHBondContact OG1-CB 3.29Å; T375-S378 PolarHBondContact OG1-OG 3.43Å; T375-E381 PolarHBondContact N-OE2 3.14Å; T375-E381 PolarHBondContact OG1-OE2 3.12Å |
| 376 | P | 97.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.5 | -164.6 | -21.7 | 29.6 | 0 | 0 | 0 | 115.7 | T372 P373 D374 G382 M383 | T372-P376 HydrophobicContact CG2-CB 4.04Å; T372-P376 HydrophobicContact CG2-CG 3.74Å; P373-P376 WeakPolarHBondContact O-CG 3.36Å; D374-P376 WeakPolarHBondContact O-CD 3.24Å; P376-G382 CarbonylContact O-C 3.28Å; P376-G382 WeakPolarHBondContact O-CA 3.46Å; P376-M383 PolarHBondContact O-N 2.93Å |
| 377 | F | 98.5 | Very high | 95.1 | Very high | 44 Ų | 44 | 47.5 Ų | 47.5 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 0.2 | -174.3 | -52.7 | -62.5 | 0 | 0 | 0 | 113.3 | M49 G52 L53 I70 T375 M383 A384 | M49-F377 HydrophobicContact CB-CD1 4.42Å; M49-F377 HydrophobicContact CG-CB 4.01Å; M49-F377 HydrophobicContact CG-CD1 4.3Å; G52-F377 VanDerWaalsContact CA-CZ 3.47Å; L53-F377 HydrophobicContact CD2-CB 3.72Å; L53-F377 HydrophobicContact CG-CB 4.13Å; I70-F377 WeakPolarHBondContact CD1-O 3.31Å; T375-F377 PolarHBondContact O-N 2.79Å; F377-M383 HydrophobicContact CD1-CB 4.32Å; F377-A384 VanDerWaalsContact O-CB 3.25Å; F377-A384 WeakPolarHBondContact O-CB 3.45Å |
| 378 | S | 98.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -72 | 168.1 | -177.6 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | T65 T375 E381 G382 A384 | T65-S378 VanDerWaalsContact O-CB 3.23Å; T65-S378 WeakPolarHBondContact O-CB 3.49Å; T375-S378 PolarHBondContact O-N 2.71Å; T375-S378 VanDerWaalsContact O-N 3.13Å; T375-S378 PolarHBondContact O-OG 2.93Å; T375-S378 VanDerWaalsContact O-OG 3.04Å; T375-S378 VanDerWaalsContact OG1-CB 3.25Å; T375-S378 WeakPolarHBondContact OG1-CB 3.29Å; T375-S378 PolarHBondContact OG1-OG 3.43Å; S378-E381 WeakPolarHBondContact OG-CB 3.33Å; S378-E381 PolarHBondContact OG-N 3.24Å; S378-G382 CarbonylContact O-C 3.56Å; S378-G382 WeakPolarHBondContact O-CA 3.48Å; S378-G382 PolarHBondContact O-N 3.19Å; S378-G382 VanDerWaalsContact O-N 3.08Å; S378-G382 PolarHBondContact OG-N 2.99Å; S378-A384 WeakPolarHBondContact O-CB 3.27Å; S378-A384 PolarHBondContact O-N 3Å |
| 379 | L | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -68.2 | -49.3 | 179.8 | -176 | 65.7 | 0 | 0 | 0 | 111.8 | L72 L328 G385 Y388 | L72-L379 HydrophobicContact CB-CD2 4.46Å; L72-L379 HydrophobicContact CD2-CD2 3.84Å; L72-L379 HydrophobicContact CG-CD2 4.45Å; L328-L379 HydrophobicContact CD1-CD1 4.14Å; L328-L379 HydrophobicContact CD1-CG 4.27Å; L328-L379 WeakPolarHBondContact CD1-O 3.34Å; L379-G385 WeakPolarHBondContact O-CA 3.43Å; L379-G385 PolarHBondContact O-N 3.42Å; L379-Y388 HydrophobicContact CD1-CD2 3.95Å; L379-Y388 HydrophobicContact CD1-CG 4.43Å |
| 380 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -87.6 | -27.2 | -172 | -89 | -107.4 | 0 | 0 | 0 | 114.5 | Y64 L110 W282 L328 C329 F401 A403 | Y64-F380 HydrophobicContact CD1-CB 4.19Å; Y64-F380 HydrophobicContact CD2-CB 3.42Å; Y64-F380 VanDerWaalsContact CD2-CB 3.42Å; Y64-F380 AromaticContact CD2-CD1 3.61Å; Y64-F380 HydrophobicContact CD2-CD1 3.61Å; Y64-F380 HydrophobicContact CD2-CD2 4.05Å; Y64-F380 HydrophobicContact CD2-CE1 4.42Å; Y64-F380 AromaticContact CD2-CG 3.39Å; Y64-F380 HydrophobicContact CD2-CG 3.39Å; Y64-F380 HydrophobicContact CE1-CB 4.15Å; Y64-F380 HydrophobicContact CE2-CB 3.39Å; Y64-F380 AromaticContact CE2-CD1 3.52Å; Y64-F380 HydrophobicContact CE2-CD1 3.52Å; Y64-F380 AromaticContact CE2-CG 3.61Å; Y64-F380 HydrophobicContact CE2-CG 3.61Å; Y64-F380 HydrophobicContact CG-CB 3.82Å; Y64-F380 HydrophobicContact CG-CG 4.12Å; Y64-F380 WeakPolarHBondContact O-CB 3.41Å; Y64-F380 PolarHBondContact O-N 2.94Å; L110-F380 HydrophobicContact CD1-CE1 4.2Å; L110-F380 HydrophobicContact CD1-CZ 4.07Å; L110-F380 HydrophobicContact CD2-CD2 3.87Å; L110-F380 HydrophobicContact CD2-CE1 4.1Å; L110-F380 HydrophobicContact CD2-CE2 3.2Å; L110-F380 HydrophobicContact CD2-CZ 3.34Å; L110-F380 HydrophobicContact CG-CZ 4.38Å; W282-F380 HydrophobicContact CE3-CE1 4.32Å; W282-F380 HydrophobicContact CH2-CD1 4.43Å; W282-F380 AromaticContact CH2-CE1 3.72Å; W282-F380 HydrophobicContact CH2-CE1 3.72Å; W282-F380 HydrophobicContact CZ2-CE1 4.35Å; W282-F380 HydrophobicContact CZ3-CD1 4Å; W282-F380 AromaticContact CZ3-CE1 3.71Å; W282-F380 HydrophobicContact CZ3-CE1 3.71Å; L328-F380 PolarHBondContact N-O 2.97Å; L328-F380 VanDerWaalsContact N-O 3.14Å; C329-F380 HydrophobicContact CB-CB 4.23Å; C329-F380 HydrophobicContact CB-CD1 4.07Å; C329-F380 WeakPolarHBondContact CB-O 3.43Å; C329-F380 PolarHBondContact N-O 3.22Å; F380-F401 AromaticContact CE1-CE1 3.81Å; F380-F401 HydrophobicContact CE1-CE1 3.81Å; F380-F401 HydrophobicContact CE1-CZ 4.32Å; F380-F401 HydrophobicContact CZ-CE1 4.05Å; F380-A403 HydrophobicContact CE2-CB 4.21Å; F380-A403 HydrophobicContact CZ-CB 4.12Å |
| 381 | E | 98.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 32 Ų | 32 | 15% | 0.15 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -106 | -33.5 | -178.6 | -52.7 | -174.1 | 152.3 | 0 | 0 | 112.4 | Y64 T65 P373 T375 S378 | Y64-E381 HydrophobicContact CE1-CG 3.98Å; T65-E381 HydrophobicContact CG2-CG 4.29Å; P373-E381 HydrophobicContact CB-CB 4.04Å; P373-E381 VanDerWaalsContact CG-O 3.26Å; P373-E381 WeakPolarHBondContact CG-O 3.35Å; T375-E381 PolarHBondContact N-OE2 3.14Å; T375-E381 PolarHBondContact OG1-OE2 3.12Å; S378-E381 WeakPolarHBondContact OG-CB 3.33Å; S378-E381 PolarHBondContact OG-N 3.24Å |
| 382 | G | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -107.4 | -160.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | P376 S378 A384 G385 | P376-G382 CarbonylContact O-C 3.28Å; P376-G382 WeakPolarHBondContact O-CA 3.46Å; S378-G382 CarbonylContact O-C 3.56Å; S378-G382 WeakPolarHBondContact O-CA 3.48Å; S378-G382 PolarHBondContact O-N 3.19Å; S378-G382 VanDerWaalsContact O-N 3.08Å; S378-G382 PolarHBondContact OG-N 2.99Å; G382-A384 VanDerWaalsContact C-N 3.35Å; G382-A384 PolarHBondContact O-N 2.95Å; G382-G385 PolarHBondContact O-N 2.96Å |
| 383 | M | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 6% | 0.059 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -35.4 | -174.3 | -169.7 | 173.9 | -72 | 0 | 0 | 113 | L45 V48 M49 Y365 P376 F377 G385 T386 I387 | L45-M383 HydrophobicContact CB-CG 4.25Å; L45-M383 HydrophobicContact CB-SD 4.06Å; L45-M383 HydrophobicContact CD2-CE 4.14Å; L45-M383 HydrophobicContact CD2-CG 4.48Å; L45-M383 HydrophobicContact CD2-SD 4.03Å; V48-M383 HydrophobicContact CB-CE 4.39Å; V48-M383 HydrophobicContact CB-SD 4.02Å; V48-M383 HydrophobicContact CG1-CE 3.8Å; V48-M383 HydrophobicContact CG1-SD 3.98Å; M49-M383 HydrophobicContact CB-CG 4.43Å; M49-M383 HydrophobicContact CB-SD 3.97Å; Y365-M383 HydrophobicContact CD1-CE 4.04Å; Y365-M383 HydrophobicContact CE1-CE 3.66Å; P376-M383 PolarHBondContact O-N 2.93Å; F377-M383 HydrophobicContact CD1-CB 4.32Å; M383-G385 PolarHBondContact O-N 2.78Å; M383-T386 WeakPolarHBondContact O-CB 3.47Å; M383-T386 PolarHBondContact O-N 3.06Å; M383-I387 HydrophobicContact CG-CD1 3.94Å; M383-I387 HydrophobicContact CG-CG1 4.27Å; M383-I387 WeakPolarHBondContact O-CG1 3.3Å; M383-I387 PolarHBondContact O-N 3.25Å |
| 384 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M49 I70 L73 F377 S378 G382 I387 Y388 | M49-A384 HydrophobicContact SD-CB 3.6Å; M49-A384 VanDerWaalsContact SD-CB 3.6Å; I70-A384 HydrophobicContact CD1-CB 3.75Å; L73-A384 HydrophobicContact CD2-CB 3.7Å; F377-A384 VanDerWaalsContact O-CB 3.25Å; F377-A384 WeakPolarHBondContact O-CB 3.45Å; S378-A384 WeakPolarHBondContact O-CB 3.27Å; S378-A384 PolarHBondContact O-N 3Å; G382-A384 VanDerWaalsContact C-N 3.35Å; G382-A384 PolarHBondContact O-N 2.95Å; A384-I387 PolarHBondContact O-N 2.89Å; A384-Y388 WeakPolarHBondContact O-CB 3.47Å; A384-Y388 PolarHBondContact O-N 3.2Å |
| 385 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L379 G382 M383 Y388 F389 | L379-G385 WeakPolarHBondContact O-CA 3.43Å; L379-G385 PolarHBondContact O-N 3.42Å; G382-G385 PolarHBondContact O-N 2.96Å; M383-G385 PolarHBondContact O-N 2.78Å; G385-Y388 WeakPolarHBondContact O-CB 3.38Å; G385-Y388 PolarHBondContact O-N 2.93Å; G385-F389 PolarHBondContact O-N 2.94Å; G385-F389 VanDerWaalsContact O-N 3.15Å |
| 386 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 175.5 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | Y326 C362 Y365 M383 Y388 F389 L390 | Y326-T386 WeakPolarHBondContact CB-OG1 3.37Å; Y326-T386 PolarHBondContact O-OG1 3.25Å; C362-T386 HydrophobicContact CB-CG2 3.75Å; Y365-T386 HydrophobicContact CD2-CG2 4.05Å; Y365-T386 HydrophobicContact CE2-CG2 4.34Å; M383-T386 WeakPolarHBondContact O-CB 3.47Å; M383-T386 PolarHBondContact O-N 3.06Å; T386-Y388 VanDerWaalsContact C-N 3.32Å; T386-Y388 PolarHBondContact O-N 3.22Å; T386-F389 PolarHBondContact O-N 3.15Å; T386-L390 HydrophobicContact CG2-CD1 4.29Å; T386-L390 WeakPolarHBondContact O-CG 3.42Å; T386-L390 PolarHBondContact O-N 3.47Å |
| 387 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 175.7 | -63.4 | 165.2 | 0 | 0 | 0 | 110.3 | V42 L45 L46 M49 L73 L77 M383 A384 F389 L390 A391 | V42-I387 HydrophobicContact CG1-CG2 3.94Å; V42-I387 HydrophobicContact CG2-CG2 4.37Å; L45-I387 HydrophobicContact CB-CD1 3.82Å; L45-I387 HydrophobicContact CB-CG1 3.64Å; L45-I387 HydrophobicContact CD1-CG1 4.25Å; L46-I387 HydrophobicContact CD2-CD1 4.06Å; L46-I387 HydrophobicContact CD2-CG2 4.17Å; L46-I387 HydrophobicContact CG-CD1 4.14Å; L46-I387 HydrophobicContact CG-CG2 4.06Å; M49-I387 HydrophobicContact CB-CD1 4.17Å; M49-I387 HydrophobicContact SD-CD1 3.81Å; L73-I387 HydrophobicContact CD1-CB 4.27Å; L73-I387 HydrophobicContact CD1-CG2 3.95Å; L73-I387 HydrophobicContact CD2-CB 4.3Å; L73-I387 HydrophobicContact CD2-CG2 4.26Å; L77-I387 HydrophobicContact CD2-CG2 4.37Å; M383-I387 HydrophobicContact CG-CD1 3.94Å; M383-I387 HydrophobicContact CG-CG1 4.27Å; M383-I387 WeakPolarHBondContact O-CG1 3.3Å; M383-I387 PolarHBondContact O-N 3.25Å; A384-I387 PolarHBondContact O-N 2.89Å; I387-F389 PolarHBondContact O-N 3.34Å; I387-L390 PolarHBondContact O-N 3.01Å; I387-A391 PolarHBondContact O-N 2.92Å |
| 388 | Y | 98.9 | Very high | 98.6 | Very high | 24 Ų | 24 | 20.3 Ų | 20.3 | 9% | 0.094 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.5 | -54.2 | 177.8 | -161.6 | -69.9 | 0 | 0 | 0 | 110.3 | L72 L73 H76 Y337 L379 A384 G385 T386 L390 A391 D392 P402 | L72-Y388 HydrophobicContact CG-CE2 4.33Å; L73-Y388 HydrophobicContact CB-CD2 4.43Å; L73-Y388 HydrophobicContact CD1-CD2 4Å; L73-Y388 HydrophobicContact CD1-CG 4.35Å; H76-Y388 HydrophobicContact CB-CD2 4.08Å; H76-Y388 HydrophobicContact CB-CE1 4.46Å; H76-Y388 HydrophobicContact CB-CE2 3.34Å; H76-Y388 AromaticContact CD2-CD1 3.98Å; H76-Y388 AromaticContact CD2-CE1 3.82Å; H76-Y388 AromaticContact CD2-CE2 3.94Å; H76-Y388 AromaticContact CD2-CZ 3.79Å; H76-Y388 AromaticContact CE1-CE1 3.94Å; H76-Y388 AromaticContact CG-CE1 3.77Å; H76-Y388 AromaticContact CG-CE2 3.54Å; H76-Y388 AromaticContact CG-CZ 3.31Å; H76-Y388 AromaticContact ND1-CE1 3.83Å; H76-Y388 AromaticContact ND1-CZ 3.57Å; H76-Y388 PolarHBondContact ND1-OH 3.01Å; H76-Y388 AromaticContact NE2-CE1 3.97Å; Y337-Y388 WeakPolarHBondContact OH-CD1 3.44Å; L379-Y388 HydrophobicContact CD1-CD2 3.95Å; L379-Y388 HydrophobicContact CD1-CG 4.43Å; A384-Y388 WeakPolarHBondContact O-CB 3.47Å; A384-Y388 PolarHBondContact O-N 3.2Å; G385-Y388 WeakPolarHBondContact O-CB 3.38Å; G385-Y388 PolarHBondContact O-N 2.93Å; T386-Y388 VanDerWaalsContact C-N 3.32Å; T386-Y388 PolarHBondContact O-N 3.22Å; Y388-L390 PolarHBondContact O-N 3.16Å; Y388-A391 PolarHBondContact O-N 3.18Å; Y388-D392 HydrophobicContact CD1-CB 4.33Å; Y388-D392 HydrophobicContact CE1-CB 4.41Å; Y388-D392 VanDerWaalsContact O-CB 3.27Å; Y388-D392 WeakPolarHBondContact O-CB 3.42Å; Y388-D392 PolarHBondContact O-N 2.88Å; Y388-P402 HydrophobicContact CD1-CB 4.16Å; Y388-P402 HydrophobicContact CD1-CG 3.88Å; Y388-P402 HydrophobicContact CD2-CB 4.32Å; Y388-P402 HydrophobicContact CD2-CG 4.42Å; Y388-P402 HydrophobicContact CE1-CB 3.7Å; Y388-P402 HydrophobicContact CE1-CG 3.91Å; Y388-P402 HydrophobicContact CE2-CB 3.88Å; Y388-P402 HydrophobicContact CE2-CG 4.44Å; Y388-P402 HydrophobicContact CG-CB 4.46Å; Y388-P402 HydrophobicContact CG-CG 4.17Å |
| 389 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 178 | 166.1 | -116.9 | 0 | 0 | 0 | 113.4 | A333 A336 Y337 L340 A359 G385 T386 I387 A391 D392 I393 | A333-F389 HydrophobicContact CB-CB 3.79Å; A333-F389 HydrophobicContact CB-CD1 3.75Å; A333-F389 HydrophobicContact CB-CG 3.97Å; A336-F389 HydrophobicContact CB-CD2 4.22Å; A336-F389 HydrophobicContact CB-CE1 3.83Å; A336-F389 HydrophobicContact CB-CE2 3.46Å; A336-F389 VanDerWaalsContact CB-CE2 3.46Å; A336-F389 HydrophobicContact CB-CZ 3.24Å; Y337-F389 HydrophobicContact CD2-CD2 4.11Å; Y337-F389 HydrophobicContact CE2-CB 3.82Å; Y337-F389 AromaticContact CE2-CD2 3.83Å; Y337-F389 HydrophobicContact CE2-CD2 3.83Å; Y337-F389 HydrophobicContact CE2-CG 4.24Å; L340-F389 HydrophobicContact CD1-CD2 4.19Å; L340-F389 HydrophobicContact CD1-CE2 3.82Å; A359-F389 HydrophobicContact CB-CE1 3.86Å; A359-F389 HydrophobicContact CB-CZ 3.99Å; G385-F389 PolarHBondContact O-N 2.94Å; G385-F389 VanDerWaalsContact O-N 3.15Å; T386-F389 PolarHBondContact O-N 3.15Å; I387-F389 PolarHBondContact O-N 3.34Å; F389-A391 VanDerWaalsContact C-N 3.29Å; F389-A391 PolarHBondContact O-N 2.79Å; F389-D392 PolarHBondContact O-N 2.94Å; F389-I393 HydrophobicContact CE2-CB 4.3Å; F389-I393 HydrophobicContact CE2-CD1 4.24Å; F389-I393 HydrophobicContact CZ-CD1 4.09Å; F389-I393 WeakPolarHBondContact O-CG2 3.27Å; F389-I393 PolarHBondContact O-N 3.43Å |
| 390 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.6 | -31.8 | -179.2 | -68.1 | 178 | 0 | 0 | 0 | 112.7 | L38 K41 V42 L45 A359 C362 M363 T386 I387 Y388 I393 | L38-L390 HydrophobicContact CD2-CD2 3.76Å; K41-L390 HydrophobicContact CG-CD1 4.17Å; V42-L390 HydrophobicContact CG2-CB 3.69Å; L45-L390 HydrophobicContact CD1-CD1 4.02Å; A359-L390 HydrophobicContact CB-CD2 3.91Å; C362-L390 HydrophobicContact CB-CD2 4.05Å; M363-L390 HydrophobicContact CG-CD1 4.34Å; M363-L390 HydrophobicContact CG-CD2 4.08Å; T386-L390 HydrophobicContact CG2-CD1 4.29Å; T386-L390 WeakPolarHBondContact O-CG 3.42Å; T386-L390 PolarHBondContact O-N 3.47Å; I387-L390 PolarHBondContact O-N 3.01Å; Y388-L390 PolarHBondContact O-N 3.16Å; L390-I393 WeakPolarHBondContact O-CG2 3.45Å |
| 391 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74.5 | -41.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V42 L77 F81 I387 Y388 F389 L394 | V42-A391 HydrophobicContact CG2-CB 4.42Å; L77-A391 HydrophobicContact CD2-CB 3.69Å; F81-A391 HydrophobicContact CE2-CB 4.09Å; I387-A391 PolarHBondContact O-N 2.92Å; Y388-A391 PolarHBondContact O-N 3.18Å; F389-A391 VanDerWaalsContact C-N 3.29Å; F389-A391 PolarHBondContact O-N 2.79Å; A391-L394 VanDerWaalsContact O-CB 3.23Å; A391-L394 WeakPolarHBondContact O-CB 3.39Å; A391-L394 WeakPolarHBondContact O-CG 3.31Å; A391-L394 PolarHBondContact O-N 2.86Å |
| 392 | D | 98.6 | Very high | 98.5 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.053 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.1 | -36.5 | -173.7 | -156.4 | 27.2 | 0 | 0 | 0 | 112.5 | H76 Y337 Y388 F389 L394 Q395 A399 R400 | H76-D392 IonicContact CE1-OD1 2.78Å; H76-D392 PolarHBondContact CE1-OD1 3.31Å; H76-D392 IonicContact NE2-OD1 3.08Å; Y337-D392 WeakPolarHBondContact CE1-OD2 3.29Å; Y337-D392 VanDerWaalsContact OH-CB 3.3Å; Y337-D392 WeakPolarHBondContact OH-CB 3.28Å; Y337-D392 PolarHBondContact OH-OD2 2.82Å; Y388-D392 HydrophobicContact CD1-CB 4.33Å; Y388-D392 HydrophobicContact CE1-CB 4.41Å; Y388-D392 VanDerWaalsContact O-CB 3.27Å; Y388-D392 WeakPolarHBondContact O-CB 3.42Å; Y388-D392 PolarHBondContact O-N 2.88Å; F389-D392 PolarHBondContact O-N 2.94Å; D392-L394 PolarHBondContact O-N 3.2Å; D392-L394 VanDerWaalsContact O-N 3.12Å; D392-Q395 CarbonylContact O-C 3.58Å; D392-Q395 PolarHBondContact O-N 2.89Å; D392-A399 HydrophobicContact CB-CB 4.38Å; D392-A399 VanDerWaalsContact CG-CA 3.48Å; D392-A399 WeakPolarHBondContact OD1-CA 3.46Å; D392-A399 VanDerWaalsContact OD2-CA 3.23Å; D392-A399 WeakPolarHBondContact OD2-CA 3.39Å; D392-A399 WeakPolarHBondContact OD2-CB 3.47Å; D392-R400 PolarHBondContact OD2-N 3.21Å |
| 393 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.7 | 175.6 | -166 | 168.1 | 0 | 0 | 0 | 113 | L30 L38 L340 A355 A359 F389 L390 Q395 P396 | L30-I393 WeakPolarHBondContact CD1-O 3.24Å; L38-I393 HydrophobicContact CD1-CG2 3.88Å; L38-I393 HydrophobicContact CD2-CG2 4.18Å; L340-I393 HydrophobicContact CD2-CD1 4.44Å; L340-I393 HydrophobicContact CD2-CG1 4.18Å; A355-I393 HydrophobicContact CB-CD1 3.86Å; A359-I393 HydrophobicContact CB-CD1 4.05Å; A359-I393 HydrophobicContact CB-CG2 4.5Å; F389-I393 HydrophobicContact CE2-CB 4.3Å; F389-I393 HydrophobicContact CE2-CD1 4.24Å; F389-I393 HydrophobicContact CZ-CD1 4.09Å; F389-I393 WeakPolarHBondContact O-CG2 3.27Å; F389-I393 PolarHBondContact O-N 3.43Å; L390-I393 WeakPolarHBondContact O-CG2 3.45Å; I393-Q395 PolarHBondContact O-N 3.48Å; I393-Q395 VanDerWaalsContact O-N 3.12Å; I393-P396 WeakPolarHBondContact O-CD 3.47Å; I393-P396 VanDerWaalsContact O-CG 3.26Å; I393-P396 WeakPolarHBondContact O-CG 3.13Å |
| 394 | L | 98.6 | Very high | 98.5 | Very high | 35 Ų | 35 | 23.3 Ų | 23.3 | 18% | 0.183 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.6 | 170.9 | -65.6 | 169.8 | 0 | 0 | 0 | 112.4 | L30 A35 L38 V80 F81 A391 D392 | L30-L394 HydrophobicContact CD1-CD2 4.38Å; A35-L394 HydrophobicContact CB-CD2 3.82Å; L38-L394 HydrophobicContact CB-CD2 4.02Å; L38-L394 HydrophobicContact CD1-CD2 3.87Å; V80-L394 HydrophobicContact CG1-CB 4.42Å; V80-L394 HydrophobicContact CG1-CD1 3.92Å; F81-L394 HydrophobicContact CE1-CD1 3.9Å; F81-L394 HydrophobicContact CZ-CD1 3.65Å; A391-L394 VanDerWaalsContact O-CB 3.23Å; A391-L394 WeakPolarHBondContact O-CB 3.39Å; A391-L394 WeakPolarHBondContact O-CG 3.31Å; A391-L394 PolarHBondContact O-N 2.86Å; D392-L394 PolarHBondContact O-N 3.2Å; D392-L394 VanDerWaalsContact O-N 3.12Å |
| 395 | Q | 97.8 | Very high | 98.4 | Very high | 67 Ų | 67 | 24.2 Ų | 24.2 | 31% | 0.313 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -129 | 70.1 | 176 | -59.3 | -178.6 | -4.6 | 0 | 0 | 110.4 | D392 I393 M397 K398 A399 | D392-Q395 CarbonylContact O-C 3.58Å; D392-Q395 PolarHBondContact O-N 2.89Å; I393-Q395 PolarHBondContact O-N 3.48Å; I393-Q395 VanDerWaalsContact O-N 3.12Å; Q395-M397 VanDerWaalsContact C-N 3.28Å; Q395-M397 PolarHBondContact O-N 3.43Å; Q395-K398 HydrophobicContact CB-CB 4.1Å; Q395-K398 HydrophobicContact CB-CD 4.49Å; Q395-K398 CarbonylContact O-C 3.56Å; Q395-K398 WeakPolarHBondContact O-CA 3.39Å; Q395-K398 PolarHBondContact O-N 3.04Å; Q395-A399 PolarHBondContact O-N 3.37Å |
| 396 | P | 98 | Very high | 98 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 7% | 0.071 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -37 | -166.4 | -25.5 | 32.6 | 0 | 0 | 0 | 115.3 | L30 L340 Y343 L352 I393 K398 A399 | L30-P396 HydrophobicContact CD2-CG 4.27Å; L30-P396 HydrophobicContact CG-CG 4.43Å; L340-P396 HydrophobicContact CD2-CB 4.29Å; Y343-P396 HydrophobicContact CD1-CB 4.16Å; Y343-P396 HydrophobicContact CE1-CB 4.05Å; L352-P396 HydrophobicContact CD1-CB 3.67Å; L352-P396 HydrophobicContact CD1-CG 3.69Å; L352-P396 HydrophobicContact CD2-CG 4.44Å; I393-P396 WeakPolarHBondContact O-CD 3.47Å; I393-P396 VanDerWaalsContact O-CG 3.26Å; I393-P396 WeakPolarHBondContact O-CG 3.13Å; P396-K398 VanDerWaalsContact C-N 3.31Å; P396-K398 PolarHBondContact O-N 3.17Å; P396-A399 PolarHBondContact O-N 2.84Å |
| 397 | M | 97.9 | Very high | 98 | Very high | 86 Ų | 86 | 28.2 Ų | 28.2 | 42% | 0.424 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.2 | 178.9 | -67.3 | -55.9 | -68.9 | 0 | 0 | 113.5 | Y343 R344 Q395 R400 | Y343-M397 HydrophobicContact CD1-SD 4.03Å; Y343-M397 HydrophobicContact CE1-CG 4.38Å; Y343-M397 HydrophobicContact CE1-SD 3.59Å; Y343-M397 VanDerWaalsContact CE1-SD 3.59Å; R344-M397 WeakPolarHBondContact CD-O 3.47Å; R344-M397 HydrophobicContact CG-SD 4.31Å; Q395-M397 VanDerWaalsContact C-N 3.28Å; Q395-M397 PolarHBondContact O-N 3.43Å; M397-R400 PolarHBondContact O-NH1 3.02Å |
| 398 | K | 97.6 | Very high | 97.9 | Very high | 147 Ų | 147 | 29.7 Ų | 29.7 | 64% | 0.639 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -17 | 177.8 | -64.6 | -175.9 | -179.3 | 178.1 | 0 | 113 | Q395 P396 R400 | Q395-K398 HydrophobicContact CB-CB 4.1Å; Q395-K398 HydrophobicContact CB-CD 4.49Å; Q395-K398 CarbonylContact O-C 3.56Å; Q395-K398 WeakPolarHBondContact O-CA 3.39Å; Q395-K398 PolarHBondContact O-N 3.04Å; P396-K398 VanDerWaalsContact C-N 3.31Å; P396-K398 PolarHBondContact O-N 3.17Å; K398-R400 PolarHBondContact O-NH1 2.86Å |
| 399 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -54.6 | 141.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y337 L340 R344 D392 Q395 P396 | Y337-A399 HydrophobicContact CE1-CB 4.4Å; L340-A399 HydrophobicContact CD1-CB 3.82Å; R344-A399 PolarHBondContact NE-O 2.78Å; R344-A399 PolarHBondContact NH1-O 3.42Å; D392-A399 HydrophobicContact CB-CB 4.38Å; D392-A399 VanDerWaalsContact CG-CA 3.48Å; D392-A399 WeakPolarHBondContact OD1-CA 3.46Å; D392-A399 VanDerWaalsContact OD2-CA 3.23Å; D392-A399 WeakPolarHBondContact OD2-CA 3.39Å; D392-A399 WeakPolarHBondContact OD2-CB 3.47Å; Q395-A399 PolarHBondContact O-N 3.37Å; P396-A399 PolarHBondContact O-N 2.84Å | ||
| 400 | R | 98.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 31.8 Ų | 31.8 | 32% | 0.321 | 15% | 0.153 | S | C | . | . | trans | -147.3 | 136.2 | -180 | -70 | -61.8 | -177.1 | -76.9 | 1.2 | 108.9 | Y337 R344 D392 M397 K398 P402 E405 | Y337-R400 VanDerWaalsContact CE1-O 3.28Å; Y337-R400 WeakPolarHBondContact CE1-O 3.4Å; R344-R400 VanDerWaalsContact NE-NH1 3.19Å; D392-R400 PolarHBondContact OD2-N 3.21Å; M397-R400 PolarHBondContact O-NH1 3.02Å; K398-R400 PolarHBondContact O-NH1 2.86Å; R400-P402 WeakPolarHBondContact O-CD 3.42Å; R400-P402 VanDerWaalsContact O-N 3.13Å; R400-E405 WeakPolarHBondContact CA-OE2 3.25Å; R400-E405 HydrophobicContact CB-CB 4.23Å; R400-E405 WeakPolarHBondContact CD-OE1 3.38Å; R400-E405 IonicContact NE-OE1 2.61Å | ||
| 401 | F | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | trans | -60.5 | 120 | 174.3 | -169.9 | -70.6 | 0 | 0 | 0 | 108.8 | W282 Y291 L328 Y337 F380 F404 E405 | W282-F401 HydrophobicContact CB-CE2 3.87Å; W282-F401 HydrophobicContact CB-CZ 3.94Å; W282-F401 AromaticContact CD1-CE2 3.64Å; W282-F401 AromaticContact CD1-CZ 3.64Å; W282-F401 AromaticContact CD2-CE1 3.92Å; W282-F401 HydrophobicContact CD2-CE1 3.92Å; W282-F401 HydrophobicContact CD2-CE2 4.29Å; W282-F401 AromaticContact CD2-CZ 3.58Å; W282-F401 HydrophobicContact CD2-CZ 3.58Å; W282-F401 AromaticContact CE2-CE1 3.71Å; W282-F401 AromaticContact CE2-CZ 3.85Å; W282-F401 HydrophobicContact CE3-CZ 4.2Å; W282-F401 HydrophobicContact CG-CD2 4.47Å; W282-F401 HydrophobicContact CG-CE1 4.12Å; W282-F401 AromaticContact CG-CE2 3.65Å; W282-F401 HydrophobicContact CG-CE2 3.65Å; W282-F401 AromaticContact CG-CZ 3.44Å; W282-F401 HydrophobicContact CG-CZ 3.44Å; W282-F401 VanDerWaalsContact CG-CZ 3.44Å; W282-F401 HydrophobicContact CZ2-CE1 4.13Å; W282-F401 AromaticContact NE1-CE1 3.79Å; W282-F401 AromaticContact NE1-CZ 3.88Å; Y291-F401 HydrophobicContact CE1-CB 4.26Å; Y291-F401 WeakPolarHBondContact OH-CB 3.48Å; Y291-F401 WeakPolarHBondContact OH-CD2 3.17Å; L328-F401 HydrophobicContact CB-CE2 4.43Å; L328-F401 HydrophobicContact CB-CZ 3.93Å; Y337-F401 HydrophobicContact CD1-CB 4.16Å; Y337-F401 AromaticContact CD2-CD2 3.85Å; Y337-F401 HydrophobicContact CD2-CD2 3.85Å; Y337-F401 HydrophobicContact CD2-CE2 4.47Å; Y337-F401 HydrophobicContact CD2-CG 4.49Å; Y337-F401 HydrophobicContact CG-CB 4.15Å; Y337-F401 AromaticContact CG-CD2 3.91Å; Y337-F401 HydrophobicContact CG-CD2 3.91Å; Y337-F401 HydrophobicContact CG-CG 4.43Å; F380-F401 AromaticContact CE1-CE1 3.81Å; F380-F401 HydrophobicContact CE1-CE1 3.81Å; F380-F401 HydrophobicContact CE1-CZ 4.32Å; F380-F401 HydrophobicContact CZ-CE1 4.05Å; F401-F404 HydrophobicContact CD1-CB 3.87Å; F401-F404 HydrophobicContact CD1-CD1 4.47Å; F401-F404 HydrophobicContact CE1-CB 4.44Å; F401-F404 PolarHBondContact O-N 3.43Å; F401-E405 HydrophobicContact CB-CB 4.11Å; F401-E405 PolarHBondContact N-OE2 2.91Å; F401-E405 PolarHBondContact O-N 3.36Å | ||
| 402 | P | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 144.4 | -168.4 | 26.1 | -35 | 0 | 0 | 0 | 112 | L328 Y388 R400 F404 | L328-P402 HydrophobicContact CD1-CG 3.44Å; L328-P402 VanDerWaalsContact CD1-CG 3.44Å; Y388-P402 HydrophobicContact CD1-CB 4.16Å; Y388-P402 HydrophobicContact CD1-CG 3.88Å; Y388-P402 HydrophobicContact CD2-CB 4.32Å; Y388-P402 HydrophobicContact CD2-CG 4.42Å; Y388-P402 HydrophobicContact CE1-CB 3.7Å; Y388-P402 HydrophobicContact CE1-CG 3.91Å; Y388-P402 HydrophobicContact CE2-CB 3.88Å; Y388-P402 HydrophobicContact CE2-CG 4.44Å; Y388-P402 HydrophobicContact CG-CB 4.46Å; Y388-P402 HydrophobicContact CG-CG 4.17Å; R400-P402 WeakPolarHBondContact O-CD 3.42Å; R400-P402 VanDerWaalsContact O-N 3.13Å; P402-F404 PolarHBondContact O-N 3.44Å; P402-F404 VanDerWaalsContact O-N 3.17Å |
| 403 | A | 97.1 | Very high | 97.6 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 12% | 0.116 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 22.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L72 F109 L110 F380 | L72-A403 HydrophobicContact CD2-CB 4.34Å; F109-A403 HydrophobicContact CD1-CB 3.51Å; F109-A403 HydrophobicContact CE1-CB 3.45Å; F109-A403 VanDerWaalsContact CE1-CB 3.45Å; L110-A403 HydrophobicContact CD2-CB 3.63Å; L110-A403 HydrophobicContact CG-CB 4.33Å; F380-A403 HydrophobicContact CE2-CB 4.21Å; F380-A403 HydrophobicContact CZ-CB 4.12Å |
| 404 | F | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.4 | -53.1 | 176.4 | 175.1 | -114 | 0 | 0 | 0 | 112.5 | L158 A224 Y233 F234 W282 Y291 F401 P402 | L158-F404 HydrophobicContact CD1-CD2 4.14Å; L158-F404 HydrophobicContact CD2-CB 4.43Å; L158-F404 HydrophobicContact CD2-CD2 3.43Å; L158-F404 VanDerWaalsContact CD2-CD2 3.43Å; L158-F404 HydrophobicContact CD2-CE2 4.06Å; L158-F404 HydrophobicContact CD2-CG 4.26Å; L158-F404 HydrophobicContact CG-CD2 4.42Å; A224-F404 HydrophobicContact CB-CE1 4.36Å; A224-F404 HydrophobicContact CB-CE2 4.22Å; A224-F404 HydrophobicContact CB-CZ 3.86Å; Y233-F404 HydrophobicContact CD1-CE1 4.26Å; Y233-F404 AromaticContact CD1-CE2 3.8Å; Y233-F404 HydrophobicContact CD1-CE2 3.8Å; Y233-F404 AromaticContact CD1-CZ 3.63Å; Y233-F404 HydrophobicContact CD1-CZ 3.63Å; Y233-F404 HydrophobicContact CE1-CE1 4.38Å; Y233-F404 HydrophobicContact CE1-CE2 4.34Å; Y233-F404 HydrophobicContact CE1-CZ 4.17Å; Y233-F404 WeakPolarHBondContact CE1-O 3.04Å; Y233-F404 HydrophobicContact CG-CZ 4.07Å; F234-F404 HydrophobicContact CD2-CE2 4.49Å; F234-F404 AromaticContact CE2-CD2 3.94Å; F234-F404 HydrophobicContact CE2-CD2 3.94Å; F234-F404 HydrophobicContact CE2-CE2 4.04Å; W282-F404 HydrophobicContact CZ2-CB 4Å; W282-F404 HydrophobicContact CZ2-CD1 4.43Å; W282-F404 HydrophobicContact CZ2-CD2 4.05Å; W282-F404 AromaticContact CZ2-CG 3.89Å; W282-F404 HydrophobicContact CZ2-CG 3.89Å; W282-F404 AromaticContact NE1-CD1 3.35Å; W282-F404 AromaticContact NE1-CE1 3.68Å; W282-F404 AromaticContact NE1-CG 3.72Å; Y291-F404 HydrophobicContact CD1-CE1 4.14Å; Y291-F404 HydrophobicContact CD2-CD1 4.27Å; Y291-F404 AromaticContact CD2-CE1 3.54Å; Y291-F404 HydrophobicContact CD2-CE1 3.54Å; Y291-F404 HydrophobicContact CD2-CZ 4.49Å; Y291-F404 HydrophobicContact CE2-CD1 4.46Å; Y291-F404 HydrophobicContact CE2-CE1 4.14Å; Y291-F404 HydrophobicContact CG-CD1 4.32Å; Y291-F404 AromaticContact CG-CE1 3.53Å; Y291-F404 HydrophobicContact CG-CE1 3.53Å; Y291-F404 HydrophobicContact CG-CZ 4.44Å; F401-F404 HydrophobicContact CD1-CB 3.87Å; F401-F404 HydrophobicContact CD1-CD1 4.47Å; F401-F404 HydrophobicContact CE1-CB 4.44Å; F401-F404 PolarHBondContact O-N 3.43Å; P402-F404 PolarHBondContact O-N 3.44Å; P402-F404 VanDerWaalsContact O-N 3.17Å |
| 405 | E | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | trans | -79.3 | 129.4 | -173 | -162.9 | -176.5 | 172 | 0 | 0 | 112.1 | Y233 Y291 R344 R400 F401 | Y233-E405 WeakPolarHBondContact OH-CG 3.43Å; Y291-E405 HydrophobicContact CD1-CG 4.05Å; Y291-E405 HydrophobicContact CE1-CB 4.39Å; Y291-E405 HydrophobicContact CE1-CG 4.08Å; Y291-E405 WeakPolarHBondContact CE1-OE2 3.43Å; R344-E405 IonicContact CZ-OE1 3.91Å; R344-E405 IonicContact CZ-OE2 3.11Å; R344-E405 IonicContact NE-OE1 3.95Å; R344-E405 IonicContact NH2-OE1 3.02Å; R344-E405 PolarHBondContact NH2-OE1 2.99Å; R344-E405 IonicContact NH2-OE2 3.79Å; R344-E405 PolarHBondContact NH2-OE2 3.15Å; R400-E405 WeakPolarHBondContact CA-OE2 3.25Å; R400-E405 HydrophobicContact CB-CB 4.23Å; R400-E405 WeakPolarHBondContact CD-OE1 3.38Å; R400-E405 IonicContact NE-OE1 2.61Å; F401-E405 HydrophobicContact CB-CB 4.11Å; F401-E405 PolarHBondContact N-OE2 2.91Å; F401-E405 PolarHBondContact O-N 3.36Å | ||
| 406 | V | 90.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 38.9 Ų | 38.9 | 34% | 0.339 | 19% | 0.187 | S | C | . | . | trans | -96.6 | 0 | -174.7 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | V170 Q174 Y233 F234 Q237 F240 | V170-V406 HydrophobicContact CG1-CB 4.27Å; V170-V406 HydrophobicContact CG1-CG1 3.51Å; V170-V406 HydrophobicContact CG1-CG2 3.79Å; Q174-V406 VanDerWaalsContact NE2-CA 3.25Å; Q174-V406 PolarHBondContact NE2-OXT 3.07Å; Y233-V406 HydrophobicContact CE1-CG2 4.25Å; Y233-V406 PolarHBondContact OH-N 2.97Å; F234-V406 HydrophobicContact CE1-CG2 3.99Å; F234-V406 HydrophobicContact CZ-CG2 4.08Å; Q237-V406 HydrophobicContact CG-CB 4.34Å; Q237-V406 HydrophobicContact CG-CG1 4.44Å; Q237-V406 HydrophobicContact CG-CG2 4.46Å; F240-V406 HydrophobicContact CZ-CG1 4.38Å |
Retrieved 406 of 406 residues in 624.5 ms
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