| 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 | 45.6 | Very low | 58.5 | Low | 146 Ų | 146 | 94.9 Ų | 94.9 | 72% | 0.719 | 54% | 0.536 | S | S | * | . | 0 | -16.4 | 0 | -79.3 | 170 | 84.6 | 0 | 0 | 114.7 | D3 H7 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.83Å; M1-H7 PolarHBondContact O-CD2 3.06Å; M1-H7 VanDerWaalsContact O-CD2 3.29Å | |||
| 2 | A | 45.2 | Very low | 60.8 | Low | 85 Ų | 85 | 87.1 Ų | 87.1 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 3 | D | 45.1 | Very low | 62.8 | Low | 157 Ų | 157 | 86 Ų | 86 | 84% | 0.84 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3 | -174 | -75.7 | -25.5 | 0 | 0 | 0 | 116 | M1 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.83Å |
| 4 | Q | 54.2 | Low | 64.9 | Low | 101 Ų | 101 | 87 Ų | 87 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -71.5 | 134.3 | 173.9 | -69.6 | -170 | -19.8 | 0 | 0 | 109.9 | I6 H7 | Q4-I6 HydrophobicContact CB-CG1 3.84Å; Q4-I6 PolarHBondContact O-N 2.69Å; Q4-H7 WeakPolarHBondContact O-CB 3.48Å; Q4-H7 PolarHBondContact O-N 2.79Å |
| 5 | P | 51.8 | Low | 66.7 | Low | 88 Ų | 88 | 83.7 Ų | 83.7 | 57% | 0.571 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -52.7 | -28.5 | -178.4 | -28.2 | 34 | 0 | 0 | 0 | 114.2 | H7 L8 | P5-H7 PolarHBondContact O-N 3.26Å; P5-H7 VanDerWaalsContact O-N 3.15Å; P5-L8 HydrophobicContact CB-CD1 4.41Å; P5-L8 WeakPolarHBondContact O-CB 3.39Å; P5-L8 PolarHBondContact O-N 3.38Å; P5-L8 VanDerWaalsContact O-N 3.14Å |
| 6 | I | 54.9 | Low | 68.4 | Low | 57 Ų | 57 | 80.3 Ų | 80.3 | 29% | 0.292 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -63.5 | -16 | 176 | 63.9 | 164.6 | 0 | 0 | 0 | 114.1 | Q4 I15 | Q4-I6 HydrophobicContact CB-CG1 3.84Å; Q4-I6 PolarHBondContact O-N 2.69Å; I6-I15 HydrophobicContact CB-CD1 4.33Å; I6-I15 HydrophobicContact CG2-CD1 4.19Å |
| 7 | H | 54.4 | Low | 69.8 | Low | 38 Ų | 38 | 80.3 Ų | 80.3 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -104.4 | -7.7 | 178.9 | -64.7 | -38.9 | 0 | 0 | 0 | 113.3 | M1 Q4 P5 P9 | M1-H7 PolarHBondContact O-CD2 3.06Å; M1-H7 VanDerWaalsContact O-CD2 3.29Å; Q4-H7 WeakPolarHBondContact O-CB 3.48Å; Q4-H7 PolarHBondContact O-N 2.79Å; P5-H7 PolarHBondContact O-N 3.26Å; P5-H7 VanDerWaalsContact O-N 3.15Å; H7-P9 WeakPolarHBondContact O-CD 3.34Å |
| 8 | L | 61.7 | Low | 71.3 | Confident | 73 Ų | 73 | 83 Ų | 83 | 38% | 0.382 | 45% | 0.447 | S | S | . | . | trans | -64.3 | 120.3 | 172.5 | -70.6 | 172.3 | 0 | 0 | 0 | 108.7 | P5 S10 F11 A12 | P5-L8 HydrophobicContact CB-CD1 4.41Å; P5-L8 WeakPolarHBondContact O-CB 3.39Å; P5-L8 PolarHBondContact O-N 3.38Å; P5-L8 VanDerWaalsContact O-N 3.14Å; L8-S10 PolarHBondContact O-N 3.44Å; L8-F11 HydrophobicContact CB-CD2 4.1Å; L8-F11 HydrophobicContact CD1-CD2 4.05Å; L8-F11 HydrophobicContact CD1-CE2 4.2Å; L8-F11 PolarHBondContact O-N 2.87Å; L8-F11 VanDerWaalsContact O-N 3.14Å; L8-A12 WeakPolarHBondContact O-CB 3.27Å; L8-A12 PolarHBondContact O-N 3.45Å | ||
| 9 | P | 68 | Low | 72.6 | Confident | 103 Ų | 103 | 80.2 Ų | 80.2 | 67% | 0.669 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55 | -31.8 | -175.7 | -27.4 | 34.7 | 0 | 0 | 0 | 113.7 | H7 | H7-P9 WeakPolarHBondContact O-CD 3.34Å |
| 10 | S | 78.5 | Confident | 73.7 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 57% | 0.573 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | -179.3 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | L8 | L8-S10 PolarHBondContact O-N 3.44Å |
| 11 | F | 84.1 | Confident | 74.8 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -96.7 | -18.3 | -178.1 | -60.6 | -65.6 | 0 | 0 | 0 | 113 | L8 Q13 D14 I15 | L8-F11 HydrophobicContact CB-CD2 4.1Å; L8-F11 HydrophobicContact CD1-CD2 4.05Å; L8-F11 HydrophobicContact CD1-CE2 4.2Å; L8-F11 PolarHBondContact O-N 2.87Å; L8-F11 VanDerWaalsContact O-N 3.14Å; F11-Q13 VanDerWaalsContact C-N 3.26Å; F11-Q13 PolarHBondContact O-N 2.89Å; F11-D14 PolarHBondContact O-N 3.06Å; F11-D14 VanDerWaalsContact O-N 3.14Å; F11-I15 HydrophobicContact CB-CD1 4.06Å; F11-I15 VanDerWaalsContact O-CG1 3.29Å; F11-I15 WeakPolarHBondContact O-CG1 3.49Å; F11-I15 PolarHBondContact O-N 2.67Å |
| 12 | A | 85.7 | Confident | 77.2 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.008 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58 | -39.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L8 I15 F16 R149 | L8-A12 WeakPolarHBondContact O-CB 3.27Å; L8-A12 PolarHBondContact O-N 3.45Å; A12-I15 PolarHBondContact O-N 2.77Å; A12-F16 VanDerWaalsContact O-CD2 3.25Å; A12-F16 WeakPolarHBondContact O-CD2 3.34Å; A12-F16 PolarHBondContact O-N 3.23Å; A12-F16 VanDerWaalsContact O-N 3.08Å; A12-R149 VanDerWaalsContact CB-CZ 3.48Å; A12-R149 VanDerWaalsContact CB-NH1 3.26Å |
| 13 | Q | 87.2 | Confident | 79.6 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 34% | 0.341 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 178.1 | -170.3 | 59 | 48.1 | 0 | 0 | 111.9 | F11 I15 F16 N17 | F11-Q13 VanDerWaalsContact C-N 3.26Å; F11-Q13 PolarHBondContact O-N 2.89Å; Q13-I15 PolarHBondContact O-N 2.94Å; Q13-F16 PolarHBondContact O-N 3.5Å; Q13-N17 PolarHBondContact NE2-OD1 3.47Å; Q13-N17 WeakPolarHBondContact O-CB 3.41Å; Q13-N17 PolarHBondContact O-N 3.35Å; Q13-N17 PolarHBondContact O-ND2 3.25Å; Q13-N17 PolarHBondContact O-OD1 3.37Å |
| 14 | D | 91.9 | Very high | 81.9 | Confident | 100 Ų | 100 | 67.4 Ų | 67.4 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | -179.6 | -64.2 | -27.6 | 0 | 0 | 0 | 112.1 | F11 F16 N17 Y18 | F11-D14 PolarHBondContact O-N 3.06Å; F11-D14 VanDerWaalsContact O-N 3.14Å; D14-F16 PolarHBondContact O-N 3.1Å; D14-N17 PolarHBondContact O-N 2.79Å; D14-Y18 WeakPolarHBondContact O-CB 3.49Å; D14-Y18 PolarHBondContact O-N 3.31Å |
| 15 | I | 92.4 | Very high | 83.8 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.2 | -68.9 | 167.4 | 0 | 0 | 0 | 110.7 | I6 F11 A12 Q13 Y18 Y19 | I6-I15 HydrophobicContact CB-CD1 4.33Å; I6-I15 HydrophobicContact CG2-CD1 4.19Å; F11-I15 HydrophobicContact CB-CD1 4.06Å; F11-I15 VanDerWaalsContact O-CG1 3.29Å; F11-I15 WeakPolarHBondContact O-CG1 3.49Å; F11-I15 PolarHBondContact O-N 2.67Å; A12-I15 PolarHBondContact O-N 2.77Å; Q13-I15 PolarHBondContact O-N 2.94Å; I15-Y18 WeakPolarHBondContact O-CB 3.35Å; I15-Y18 PolarHBondContact O-N 3.4Å; I15-Y19 HydrophobicContact CG2-CD2 3.8Å; I15-Y19 HydrophobicContact CG2-CE2 3.4Å; I15-Y19 WeakPolarHBondContact O-CD2 3.47Å; I15-Y19 PolarHBondContact O-N 3.34Å |
| 16 | F | 93 | Very high | 85.9 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.1 | -29.8 | -179.7 | -83.5 | -80.9 | 0 | 0 | 0 | 113 | A12 Q13 D14 Y19 R20 R145 F146 R149 | A12-F16 VanDerWaalsContact O-CD2 3.25Å; A12-F16 WeakPolarHBondContact O-CD2 3.34Å; A12-F16 PolarHBondContact O-N 3.23Å; A12-F16 VanDerWaalsContact O-N 3.08Å; Q13-F16 PolarHBondContact O-N 3.5Å; D14-F16 PolarHBondContact O-N 3.1Å; F16-Y19 HydrophobicContact CD1-CD2 4.39Å; F16-Y19 HydrophobicContact CE1-CD2 4.41Å; F16-Y19 PolarHBondContact O-N 3.42Å; F16-R20 WeakPolarHBondContact O-CB 3.41Å; F16-R20 PolarHBondContact O-N 3.15Å; F16-R145 HydrophobicContact CE1-CB 4.23Å; F16-R145 WeakPolarHBondContact CE1-O 3.15Å; F16-R145 HydrophobicContact CZ-CB 4.16Å; F16-R145 VanDerWaalsContact CZ-O 3.23Å; F16-R145 WeakPolarHBondContact CZ-O 3.41Å; F16-F146 AromaticContact CD1-CD1 3.52Å; F16-F146 HydrophobicContact CD1-CD1 3.52Å; F16-F146 AromaticContact CD1-CE1 3.65Å; F16-F146 HydrophobicContact CD1-CE1 3.65Å; F16-F146 HydrophobicContact CD1-CG 4.33Å; F16-F146 AromaticContact CE1-CD1 3.83Å; F16-F146 HydrophobicContact CE1-CD1 3.83Å; F16-F146 HydrophobicContact CE1-CE1 4.28Å; F16-F146 HydrophobicContact CE1-CG 4.19Å; F16-R149 HydrophobicContact CD1-CB 4.19Å; F16-R149 HydrophobicContact CD1-CG 4.09Å; F16-R149 HydrophobicContact CD2-CB 4.1Å; F16-R149 HydrophobicContact CD2-CG 3.6Å; F16-R149 HydrophobicContact CE1-CB 3.66Å; F16-R149 HydrophobicContact CE1-CG 4.06Å; F16-R149 HydrophobicContact CE2-CB 3.56Å; F16-R149 HydrophobicContact CE2-CG 3.57Å; F16-R149 HydrophobicContact CG-CB 4.4Å; F16-R149 HydrophobicContact CG-CG 3.89Å; F16-R149 HydrophobicContact CZ-CB 3.32Å; F16-R149 HydrophobicContact CZ-CG 3.82Å |
| 17 | N | 93.4 | Very high | 87.8 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 168.6 | -68.4 | -14.8 | 0 | 0 | 0 | 110.7 | Q13 D14 R20 A21 | Q13-N17 PolarHBondContact NE2-OD1 3.47Å; Q13-N17 WeakPolarHBondContact O-CB 3.41Å; Q13-N17 PolarHBondContact O-N 3.35Å; Q13-N17 PolarHBondContact O-ND2 3.25Å; Q13-N17 PolarHBondContact O-OD1 3.37Å; D14-N17 PolarHBondContact O-N 2.79Å; N17-R20 PolarHBondContact O-N 2.6Å; N17-A21 WeakPolarHBondContact O-CB 3.46Å; N17-A21 PolarHBondContact O-N 3.14Å |
| 18 | Y | 95.3 | Very high | 89.5 | Confident | 129 Ų | 129 | 66.5 Ų | 66.5 | 51% | 0.506 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 174.5 | 171.9 | -96.3 | 0 | 0 | 0 | 111.4 | D14 I15 R20 A21 Q22 | D14-Y18 WeakPolarHBondContact O-CB 3.49Å; D14-Y18 PolarHBondContact O-N 3.31Å; I15-Y18 WeakPolarHBondContact O-CB 3.35Å; I15-Y18 PolarHBondContact O-N 3.4Å; Y18-R20 VanDerWaalsContact C-N 3.34Å; Y18-R20 PolarHBondContact O-N 3.35Å; Y18-A21 PolarHBondContact O-N 3.39Å; Y18-Q22 HydrophobicContact CD1-CG 4.18Å; Y18-Q22 HydrophobicContact CD2-CG 4.21Å; Y18-Q22 HydrophobicContact CE1-CG 3.71Å; Y18-Q22 HydrophobicContact CE2-CG 3.76Å; Y18-Q22 HydrophobicContact CG-CG 4.41Å; Y18-Q22 VanDerWaalsContact CZ-CG 3.49Å; Y18-Q22 WeakPolarHBondContact O-CG 3.32Å; Y18-Q22 PolarHBondContact O-N 2.9Å |
| 19 | Y | 96 | Very high | 90.9 | Very high | 29 Ų | 29 | 64.6 Ų | 64.6 | 11% | 0.114 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 178.6 | -75.4 | -38.1 | 0 | 0 | 0 | 112.3 | I15 F16 A21 Q22 E23 P141 R145 | I15-Y19 HydrophobicContact CG2-CD2 3.8Å; I15-Y19 HydrophobicContact CG2-CE2 3.4Å; I15-Y19 WeakPolarHBondContact O-CD2 3.47Å; I15-Y19 PolarHBondContact O-N 3.34Å; F16-Y19 HydrophobicContact CD1-CD2 4.39Å; F16-Y19 HydrophobicContact CE1-CD2 4.41Å; F16-Y19 PolarHBondContact O-N 3.42Å; Y19-A21 VanDerWaalsContact C-N 3.32Å; Y19-A21 PolarHBondContact O-N 3.38Å; Y19-Q22 PolarHBondContact O-N 2.92Å; Y19-E23 WeakPolarHBondContact O-CG 3.48Å; Y19-E23 PolarHBondContact O-N 3.24Å; Y19-E23 VanDerWaalsContact O-N 3.08Å; Y19-P141 HydrophobicContact CD1-CB 4.38Å; Y19-P141 HydrophobicContact CD1-CG 4.25Å; Y19-P141 HydrophobicContact CG-CB 4.49Å; Y19-P141 WeakPolarHBondContact O-CG 3.09Å; Y19-R145 PolarHBondContact OH-NH1 3.18Å |
| 20 | R | 95.7 | Very high | 92.1 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 176.9 | -172 | 177 | -73.4 | -110.5 | -2.5 | 111.7 | F16 N17 Y18 Q22 E23 F146 G209 | F16-R20 WeakPolarHBondContact O-CB 3.41Å; F16-R20 PolarHBondContact O-N 3.15Å; N17-R20 PolarHBondContact O-N 2.6Å; Y18-R20 VanDerWaalsContact C-N 3.34Å; Y18-R20 PolarHBondContact O-N 3.35Å; R20-Q22 VanDerWaalsContact C-N 3.26Å; R20-Q22 PolarHBondContact O-N 3.01Å; R20-E23 PolarHBondContact O-N 3.37Å; R20-F146 HydrophobicContact CB-CZ 4.46Å; R20-G209 PolarHBondContact NH2-O 3.32Å |
| 21 | A | 95.7 | Very high | 92.9 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 51% | 0.512 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65 | -29.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N17 Y18 Y19 | N17-A21 WeakPolarHBondContact O-CB 3.46Å; N17-A21 PolarHBondContact O-N 3.14Å; Y18-A21 PolarHBondContact O-N 3.39Å; Y19-A21 VanDerWaalsContact C-N 3.32Å; Y19-A21 PolarHBondContact O-N 3.38Å |
| 22 | Q | 96.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -82 | -16.7 | 177.9 | -69.7 | -51.4 | -55 | 0 | 0 | 114.2 | Y18 Y19 R20 V24 N25 F26 P141 | Y18-Q22 HydrophobicContact CD1-CG 4.18Å; Y18-Q22 HydrophobicContact CD2-CG 4.21Å; Y18-Q22 HydrophobicContact CE1-CG 3.71Å; Y18-Q22 HydrophobicContact CE2-CG 3.76Å; Y18-Q22 HydrophobicContact CG-CG 4.41Å; Y18-Q22 VanDerWaalsContact CZ-CG 3.49Å; Y18-Q22 WeakPolarHBondContact O-CG 3.32Å; Y18-Q22 PolarHBondContact O-N 2.9Å; Y19-Q22 PolarHBondContact O-N 2.92Å; R20-Q22 VanDerWaalsContact C-N 3.26Å; R20-Q22 PolarHBondContact O-N 3.01Å; Q22-V24 PolarHBondContact O-N 3.15Å; Q22-V24 VanDerWaalsContact O-N 3.12Å; Q22-N25 WeakPolarHBondContact O-CB 3.36Å; Q22-N25 PolarHBondContact O-N 2.91Å; Q22-N25 PolarHBondContact OE1-ND2 3.27Å; Q22-F26 HydrophobicContact CB-CD2 4.26Å; Q22-F26 HydrophobicContact CB-CE2 4.11Å; Q22-F26 VanDerWaalsContact O-CD2 3.31Å; Q22-F26 WeakPolarHBondContact O-CD2 3.48Å; Q22-P141 HydrophobicContact CB-CG 3.81Å |
| 23 | E | 96.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -54.4 | -38.6 | -175.8 | -66.1 | -174.8 | 94.2 | 0 | 0 | 112.2 | Y19 R20 N25 F26 R27 P141 F146 L181 E182 S183 | Y19-E23 WeakPolarHBondContact O-CG 3.48Å; Y19-E23 PolarHBondContact O-N 3.24Å; Y19-E23 VanDerWaalsContact O-N 3.08Å; R20-E23 PolarHBondContact O-N 3.37Å; E23-N25 PolarHBondContact O-N 2.72Å; E23-F26 CarbonylContact O-C 3.52Å; E23-F26 PolarHBondContact O-N 3.11Å; E23-F26 VanDerWaalsContact O-N 3.16Å; E23-R27 WeakPolarHBondContact O-CG 3.4Å; E23-R27 PolarHBondContact O-N 3.04Å; E23-P141 HydrophobicContact CG-CB 3.92Å; E23-P141 HydrophobicContact CG-CG 4.12Å; E23-F146 HydrophobicContact CG-CE2 4.37Å; E23-F146 HydrophobicContact CG-CZ 4.4Å; E23-L181 HydrophobicContact CB-CD2 3.69Å; E23-L181 HydrophobicContact CG-CD2 4.49Å; E23-E182 WeakPolarHBondContact OE1-CA 3.39Å; E23-E182 WeakPolarHBondContact OE1-CB 3.29Å; E23-E182 PolarHBondContact OE1-N 2.84Å; E23-S183 PolarHBondContact OE1-N 3.06Å; E23-S183 PolarHBondContact OE1-OG 2.74Å; E23-S183 WeakPolarHBondContact OE2-CB 3.49Å; E23-S183 PolarHBondContact OE2-OG 3.17Å |
| 24 | V | 94 | Very high | 94.1 | Very high | 89 Ų | 89 | 61.5 Ų | 61.5 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -61.2 | -30.1 | 179 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | Q22 F26 | Q22-V24 PolarHBondContact O-N 3.15Å; Q22-V24 VanDerWaalsContact O-N 3.12Å; V24-F26 VanDerWaalsContact C-N 3.33Å |
| 25 | N | 94.2 | Very high | 94.3 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -80.9 | -15.8 | -178.4 | -63.6 | -36 | 0 | 0 | 0 | 112.9 | Q22 E23 | Q22-N25 WeakPolarHBondContact O-CB 3.36Å; Q22-N25 PolarHBondContact O-N 2.91Å; Q22-N25 PolarHBondContact OE1-ND2 3.27Å; E23-N25 PolarHBondContact O-N 2.72Å |
| 26 | F | 95.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 62.8 Ų | 62.8 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -122.8 | 22.6 | -177.6 | -57.7 | -71.3 | 0 | 0 | 0 | 112 | Q22 E23 V24 K69 L73 K137 F140 P141 | Q22-F26 HydrophobicContact CB-CD2 4.26Å; Q22-F26 HydrophobicContact CB-CE2 4.11Å; Q22-F26 VanDerWaalsContact O-CD2 3.31Å; Q22-F26 WeakPolarHBondContact O-CD2 3.48Å; E23-F26 CarbonylContact O-C 3.52Å; E23-F26 PolarHBondContact O-N 3.11Å; E23-F26 VanDerWaalsContact O-N 3.16Å; V24-F26 VanDerWaalsContact C-N 3.33Å; F26-K69 WeakPolarHBondContact O-CE 3.3Å; F26-K69 PolarHBondContact O-NZ 3.32Å; F26-K69 VanDerWaalsContact O-NZ 3.15Å; F26-L73 HydrophobicContact CD1-CD1 4.32Å; F26-K137 HydrophobicContact CE1-CB 3.91Å; F26-K137 HydrophobicContact CE1-CD 4.42Å; F26-K137 HydrophobicContact CZ-CB 4.02Å; F26-K137 HydrophobicContact CZ-CD 4.27Å; F26-F140 HydrophobicContact CB-CD1 4.44Å; F26-F140 AromaticContact CD1-CD1 3.3Å; F26-F140 HydrophobicContact CD1-CD1 3.3Å; F26-F140 AromaticContact CD1-CE1 3.6Å; F26-F140 HydrophobicContact CD1-CE1 3.6Å; F26-F140 HydrophobicContact CD1-CG 4.48Å; F26-F140 HydrophobicContact CD2-CD1 4.35Å; F26-F140 AromaticContact CE1-CD1 3.43Å; F26-F140 HydrophobicContact CE1-CD1 3.43Å; F26-F140 VanDerWaalsContact CE1-CD1 3.43Å; F26-F140 AromaticContact CE1-CE1 3.54Å; F26-F140 HydrophobicContact CE1-CE1 3.54Å; F26-F140 HydrophobicContact CE2-CD1 4.45Å; F26-F140 AromaticContact CG-CD1 3.79Å; F26-F140 HydrophobicContact CG-CD1 3.79Å; F26-F140 HydrophobicContact CZ-CD1 4.01Å; F26-F140 HydrophobicContact CZ-CE1 4.41Å; F26-P141 HydrophobicContact CD2-CG 4.36Å |
| 27 | R | 93.6 | Very high | 94.7 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 54% | 0.536 | 33% | 0.334 | S | S | . | . | trans | -64.6 | 137.1 | 170.5 | -79.2 | -172.4 | 173.3 | -172.6 | -3.7 | 109.9 | E23 L181 | E23-R27 WeakPolarHBondContact O-CG 3.4Å; E23-R27 PolarHBondContact O-N 3.04Å; R27-L181 HydrophobicContact CG-CD2 4.49Å | ||
| 28 | V | 91.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | trans | -111.6 | 124.3 | 172.4 | 175.7 | 0 | 0 | 0 | 0 | 106.5 | Y31 D72 L73 D76 C178 V179 | V28-Y31 HydrophobicContact CG1-CD1 3.31Å; V28-Y31 HydrophobicContact CG1-CE1 3.66Å; V28-Y31 HydrophobicContact CG1-CG 4.42Å; V28-D72 HydrophobicContact CG1-CB 4.24Å; V28-D72 HydrophobicContact CG2-CB 4.2Å; V28-L73 HydrophobicContact CG2-CD2 3.61Å; V28-L73 HydrophobicContact CG2-CG 3.87Å; V28-D76 HydrophobicContact CG1-CB 4.41Å; V28-C178 HydrophobicContact CB-CB 4.42Å; V28-C178 HydrophobicContact CG1-CB 4.18Å; V28-C178 VanDerWaalsContact O-O 3.1Å; V28-V179 WeakPolarHBondContact O-CA 3.38Å | ||
| 29 | G | 89.4 | Confident | 95 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | trans | -73 | 177.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y31 | G29-Y31 VanDerWaalsContact C-N 3.29Å; G29-Y31 WeakPolarHBondContact O-CD1 3.37Å; G29-Y31 PolarHBondContact O-N 2.83Å | ||
| 30 | Y | 93.2 | Very high | 95 | Very high | 97 Ų | 97 | 60.5 Ų | 60.5 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | trans | -70 | 92.4 | 165.3 | -173.1 | -105 | 0 | 0 | 0 | 108.9 | M32 A33 R34 | Y30-M32 HydrophobicContact CE1-CB 4.07Å; Y30-M32 HydrophobicContact CE2-CB 4.28Å; Y30-A33 HydrophobicContact CD1-CB 4.33Å; Y30-A33 HydrophobicContact CE1-CB 4.41Å; Y30-R34 PolarHBondContact O-NH1 3.32Å | ||
| 31 | Y | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -89.9 | -11.1 | -169.8 | 66.7 | -93 | 0 | 0 | 0 | 114.2 | V28 G29 A33 R34 Q35 R43 D72 L75 D76 | V28-Y31 HydrophobicContact CG1-CD1 3.31Å; V28-Y31 HydrophobicContact CG1-CE1 3.66Å; V28-Y31 HydrophobicContact CG1-CG 4.42Å; G29-Y31 VanDerWaalsContact C-N 3.29Å; G29-Y31 WeakPolarHBondContact O-CD1 3.37Å; G29-Y31 PolarHBondContact O-N 2.83Å; Y31-A33 PolarHBondContact O-N 3.1Å; Y31-R34 VanDerWaalsContact CA-NH2 3.29Å; Y31-R34 VanDerWaalsContact CB-NH2 3.34Å; Y31-R34 WeakPolarHBondContact O-CA 3.17Å; Y31-R34 WeakPolarHBondContact O-CB 3.46Å; Y31-R34 PolarHBondContact O-N 3.42Å; Y31-Q35 HydrophobicContact CD2-CG 4.27Å; Y31-Q35 PolarHBondContact O-N 3.21Å; Y31-R43 VanDerWaalsContact OH-CD 3.28Å; Y31-R43 WeakPolarHBondContact OH-CD 3.19Å; Y31-R43 PolarHBondContact OH-NE 3.32Å; Y31-D72 HydrophobicContact CE1-CB 3.96Å; Y31-D72 PolarHBondContact OH-OD1 2.99Å; Y31-L75 HydrophobicContact CD2-CB 3.86Å; Y31-L75 HydrophobicContact CE2-CB 3.36Å; Y31-L75 HydrophobicContact CE2-CD1 4.02Å; Y31-L75 HydrophobicContact CE2-CG 4.34Å; Y31-D76 WeakPolarHBondContact CB-OD1 3.17Å; Y31-D76 HydrophobicContact CG-CB 4.32Å | ||
| 32 | M | 95.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.054 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.9 | 178.1 | -71 | -63.6 | 164 | 0 | 0 | 113 | Y30 R34 Q35 I38 P40 R43 C175 | Y30-M32 HydrophobicContact CE1-CB 4.07Å; Y30-M32 HydrophobicContact CE2-CB 4.28Å; M32-R34 PolarHBondContact O-N 3.08Å; M32-Q35 PolarHBondContact O-N 3.3Å; M32-I38 HydrophobicContact SD-CG2 4.39Å; M32-P40 HydrophobicContact CB-CG 3.93Å; M32-P40 HydrophobicContact CG-CB 4.33Å; M32-P40 HydrophobicContact CG-CG 3.86Å; M32-P40 HydrophobicContact SD-CG 4.43Å; M32-R43 HydrophobicContact CE-CB 3.49Å; M32-R43 VanDerWaalsContact CE-CB 3.49Å; M32-R43 HydrophobicContact CE-CG 3.75Å; M32-C175 HydrophobicContact CE-CB 4.23Å; M32-C175 HydrophobicContact CG-CB 4.03Å; M32-C175 VanDerWaalsContact CG-SG 3.52Å |
| 33 | A | 92.6 | Very high | 95 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y30 Y31 | Y30-A33 HydrophobicContact CD1-CB 4.33Å; Y30-A33 HydrophobicContact CE1-CB 4.41Å; Y31-A33 PolarHBondContact O-N 3.1Å |
| 34 | R | 94.5 | Very high | 95 | Very high | 115 Ų | 115 | 57.8 Ų | 57.8 | 43% | 0.434 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -23.1 | 176.2 | -70.8 | -177.5 | -73.1 | -69 | 6.7 | 112.5 | Y30 Y31 M32 D76 Q79 | Y30-R34 PolarHBondContact O-NH1 3.32Å; Y31-R34 VanDerWaalsContact CA-NH2 3.29Å; Y31-R34 VanDerWaalsContact CB-NH2 3.34Å; Y31-R34 WeakPolarHBondContact O-CA 3.17Å; Y31-R34 WeakPolarHBondContact O-CB 3.46Å; Y31-R34 PolarHBondContact O-N 3.42Å; M32-R34 PolarHBondContact O-N 3.08Å; R34-D76 IonicContact CZ-OD1 3.39Å; R34-D76 IonicContact NE-OD1 2.66Å; R34-D76 PolarHBondContact NE-OD1 3.22Å; R34-D76 IonicContact NH2-OD1 3.38Å; R34-D76 PolarHBondContact NH2-OD1 3.46Å; R34-Q79 PolarHBondContact O-NE2 3.2Å; R34-Q79 PolarHBondContact O-OE1 3.23Å |
| 35 | Q | 97.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | trans | -77.5 | 129.5 | -179.9 | -73.6 | -67.1 | -30.2 | 0 | 0 | 111.2 | Y31 M32 I38 L75 V78 T80 | Y31-Q35 HydrophobicContact CD2-CG 4.27Å; Y31-Q35 PolarHBondContact O-N 3.21Å; M32-Q35 PolarHBondContact O-N 3.3Å; Q35-I38 HydrophobicContact CB-CB 4.09Å; Q35-I38 HydrophobicContact CG-CB 4.31Å; Q35-L75 PolarHBondContact NE2-O 3.01Å; Q35-V78 PolarHBondContact NE2-O 2.89Å; Q35-T80 VanDerWaalsContact OE1-N 3.12Å | ||
| 36 | Q | 96.7 | Very high | 95.2 | Very high | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -86.4 | -27.8 | -179.7 | -65.8 | 179.9 | 18.9 | 0 | 0 | 113.7 | ||
| 37 | H | 97.2 | Very high | 95.3 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -123.6 | -4.8 | -170.8 | -56.8 | -49.9 | 0 | 0 | 0 | 114.3 | ||
| 38 | I | 97.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | trans | -112.3 | 129.4 | 178.2 | -52.2 | -51.5 | 0 | 0 | 0 | 108.4 | M32 Q35 M42 T80 L85 | M32-I38 HydrophobicContact SD-CG2 4.39Å; Q35-I38 HydrophobicContact CB-CB 4.09Å; Q35-I38 HydrophobicContact CG-CB 4.31Å; I38-M42 HydrophobicContact CG2-CB 4.36Å; I38-T80 HydrophobicContact CD1-CG2 4.46Å; I38-T80 WeakPolarHBondContact CD1-O 3.38Å; I38-T80 WeakPolarHBondContact CG1-O 3.45Å; I38-L85 HydrophobicContact CD1-CB 4.07Å; I38-L85 HydrophobicContact CD1-CD1 4.18Å; I38-L85 HydrophobicContact CD1-CD2 4.21Å; I38-L85 HydrophobicContact CD1-CG 4.37Å; I38-L85 HydrophobicContact CG1-CD1 4.4Å; I38-L85 HydrophobicContact CG2-CD1 4.12Å; I38-L85 HydrophobicContact CG2-CD2 4.1Å | ||
| 39 | T | 96.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 47 Ų | 47 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | trans | -102.5 | 159.4 | 174.8 | 69.2 | 0 | 0 | 0 | 0 | 110.5 | H41 M42 R43 | T39-H41 PolarHBondContact O-N 2.98Å; T39-M42 HydrophobicContact CG2-CE 4.45Å; T39-M42 PolarHBondContact O-N 2.96Å; T39-M42 VanDerWaalsContact O-N 3.07Å; T39-M42 WeakPolarHBondContact OG1-CG 3.47Å; T39-M42 PolarHBondContact OG1-N 3.21Å; T39-R43 PolarHBondContact O-N 2.9Å | ||
| 40 | P | 95.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -51.2 | -40.4 | 173.1 | -26.1 | 32.2 | 0 | 0 | 0 | 112.5 | M32 R43 T44 | M32-P40 HydrophobicContact CB-CG 3.93Å; M32-P40 HydrophobicContact CG-CB 4.33Å; M32-P40 HydrophobicContact CG-CG 3.86Å; M32-P40 HydrophobicContact SD-CG 4.43Å; P40-R43 WeakPolarHBondContact O-CB 3.42Å; P40-R43 PolarHBondContact O-N 3.18Å; P40-T44 PolarHBondContact O-N 2.93Å; P40-T44 PolarHBondContact O-OG1 3.32Å; P40-T44 VanDerWaalsContact O-OG1 3.11Å |
| 41 | H | 94.7 | Very high | 96.3 | Very high | 81 Ų | 81 | 40.9 Ų | 40.9 | 38% | 0.375 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.4 | -40 | 178.9 | 180 | 49.3 | 0 | 0 | 0 | 113.3 | T39 R43 T44 I45 P232 | T39-H41 PolarHBondContact O-N 2.98Å; H41-R43 VanDerWaalsContact C-N 3.27Å; H41-R43 PolarHBondContact O-N 3.22Å; H41-T44 WeakPolarHBondContact O-CB 3.5Å; H41-T44 PolarHBondContact O-N 3.35Å; H41-I45 PolarHBondContact O-N 3.43Å; H41-P232 PolarHBondContact CE1-O 2.85Å |
| 42 | M | 96.3 | Very high | 96.3 | Very high | 42 Ų | 42 | 44 Ų | 44 | 21% | 0.207 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -37.7 | 174.3 | -69.3 | 175.8 | -175.6 | 0 | 0 | 111.5 | I38 T39 I45 L46 R82 L85 | I38-M42 HydrophobicContact CG2-CB 4.36Å; T39-M42 HydrophobicContact CG2-CE 4.45Å; T39-M42 PolarHBondContact O-N 2.96Å; T39-M42 VanDerWaalsContact O-N 3.07Å; T39-M42 WeakPolarHBondContact OG1-CG 3.47Å; T39-M42 PolarHBondContact OG1-N 3.21Å; M42-I45 PolarHBondContact O-N 3.28Å; M42-L46 PolarHBondContact O-N 2.65Å; M42-R82 HydrophobicContact CE-CG 4.2Å; M42-R82 HydrophobicContact SD-CG 4.04Å; M42-L85 HydrophobicContact CB-CD2 3.71Å |
| 43 | R | 96.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 173.4 | -173.5 | -148.7 | 170.7 | -95.6 | 2.6 | 111.5 | Y31 M32 T39 P40 H41 I45 L46 V47 D72 L172 L173 | Y31-R43 VanDerWaalsContact OH-CD 3.28Å; Y31-R43 WeakPolarHBondContact OH-CD 3.19Å; Y31-R43 PolarHBondContact OH-NE 3.32Å; M32-R43 HydrophobicContact CE-CB 3.49Å; M32-R43 VanDerWaalsContact CE-CB 3.49Å; M32-R43 HydrophobicContact CE-CG 3.75Å; T39-R43 PolarHBondContact O-N 2.9Å; P40-R43 WeakPolarHBondContact O-CB 3.42Å; P40-R43 PolarHBondContact O-N 3.18Å; H41-R43 VanDerWaalsContact C-N 3.27Å; H41-R43 PolarHBondContact O-N 3.22Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-I45 PolarHBondContact O-N 3.42Å; R43-L46 WeakPolarHBondContact O-CB 3.49Å; R43-L46 PolarHBondContact O-N 2.88Å; R43-V47 HydrophobicContact CG-CG2 4.39Å; R43-V47 WeakPolarHBondContact O-CG2 3.37Å; R43-V47 PolarHBondContact O-N 3.49Å; R43-D72 IonicContact CZ-OD1 3.56Å; R43-D72 IonicContact CZ-OD2 2.81Å; R43-D72 IonicContact NE-OD1 2.77Å; R43-D72 PolarHBondContact NE-OD1 2.95Å; R43-D72 IonicContact NE-OD2 3.03Å; R43-D72 IonicContact NH2-OD1 3.46Å; R43-D72 PolarHBondContact NH2-OD1 2.83Å; R43-D72 VanDerWaalsContact NH2-OD1 3.13Å; R43-D72 IonicContact NH2-OD2 3.71Å; R43-D72 PolarHBondContact NH2-OD2 3.48Å; R43-L172 PolarHBondContact NH1-O 3.35Å; R43-L172 PolarHBondContact NH2-O 2.86Å; R43-L172 VanDerWaalsContact NH2-O 3.17Å; R43-L173 PolarHBondContact NH1-O 2.9Å |
| 44 | T | 96.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | P40 H41 L46 V47 D48 L173 L231 I234 | P40-T44 PolarHBondContact O-N 2.93Å; P40-T44 PolarHBondContact O-OG1 3.32Å; P40-T44 VanDerWaalsContact O-OG1 3.11Å; H41-T44 WeakPolarHBondContact O-CB 3.5Å; H41-T44 PolarHBondContact O-N 3.35Å; T44-L46 VanDerWaalsContact C-N 3.34Å; T44-L46 PolarHBondContact O-N 3.42Å; T44-V47 PolarHBondContact O-N 2.71Å; T44-D48 PolarHBondContact O-N 3.22Å; T44-L173 WeakPolarHBondContact CA-O 3.47Å; T44-L173 WeakPolarHBondContact CB-O 3.36Å; T44-L173 HydrophobicContact CG2-CB 4.1Å; T44-L173 HydrophobicContact CG2-CD2 4.46Å; T44-L173 PolarHBondContact OG1-O 2.9Å; T44-L231 HydrophobicContact CG2-CD2 3.85Å; T44-I234 HydrophobicContact CG2-CD1 3.62Å |
| 45 | I | 96 | Very high | 96.6 | Very high | 75 Ų | 75 | 37.7 Ų | 37.7 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 176 | -65.3 | 166.8 | 0 | 0 | 0 | 110.9 | H41 M42 R43 V47 D48 W49 I234 | H41-I45 PolarHBondContact O-N 3.43Å; M42-I45 PolarHBondContact O-N 3.28Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-I45 PolarHBondContact O-N 3.42Å; I45-V47 PolarHBondContact O-N 2.7Å; I45-D48 PolarHBondContact O-N 2.96Å; I45-W49 PolarHBondContact O-N 3.3Å; I45-I234 HydrophobicContact CG1-CD1 4.18Å; I45-I234 HydrophobicContact CG1-CG1 3.92Å |
| 46 | L | 97.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 177.5 | 179.3 | 70.8 | 0 | 0 | 0 | 111.6 | M42 R43 T44 W49 M50 T71 L85 Q86 | M42-L46 PolarHBondContact O-N 2.65Å; R43-L46 WeakPolarHBondContact O-CB 3.49Å; R43-L46 PolarHBondContact O-N 2.88Å; T44-L46 VanDerWaalsContact C-N 3.34Å; T44-L46 PolarHBondContact O-N 3.42Å; L46-W49 HydrophobicContact CD1-CE3 4.08Å; L46-W49 HydrophobicContact CD1-CZ3 4.43Å; L46-W49 WeakPolarHBondContact O-CB 3.22Å; L46-W49 PolarHBondContact O-N 2.81Å; L46-M50 HydrophobicContact CD2-SD 4.37Å; L46-M50 HydrophobicContact CG-CG 4.47Å; L46-M50 HydrophobicContact CG-SD 4.09Å; L46-M50 VanDerWaalsContact O-CG 3.31Å; L46-M50 WeakPolarHBondContact O-CG 3.2Å; L46-M50 PolarHBondContact O-N 3.08Å; L46-T71 HydrophobicContact CD2-CG2 3.89Å; L46-L85 HydrophobicContact CB-CD2 4.35Å; L46-L85 HydrophobicContact CB-CG 4.37Å; L46-L85 HydrophobicContact CD1-CG 4.49Å; L46-L85 WeakPolarHBondContact CD1-O 3.16Å; L46-L85 HydrophobicContact CD2-CD1 3.79Å; L46-L85 HydrophobicContact CD2-CG 3.92Å; L46-L85 HydrophobicContact CG-CG 4.49Å; L46-Q86 HydrophobicContact CD1-CB 4.46Å |
| 47 | V | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.9 | -37.4 | -176 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | R43 T44 I45 W49 M50 V51 V68 L172 L173 | R43-V47 HydrophobicContact CG-CG2 4.39Å; R43-V47 WeakPolarHBondContact O-CG2 3.37Å; R43-V47 PolarHBondContact O-N 3.49Å; T44-V47 PolarHBondContact O-N 2.71Å; I45-V47 PolarHBondContact O-N 2.7Å; V47-W49 VanDerWaalsContact C-N 3.34Å; V47-M50 WeakPolarHBondContact O-CB 3.37Å; V47-M50 PolarHBondContact O-N 3.23Å; V47-M50 VanDerWaalsContact O-N 3.14Å; V47-V51 WeakPolarHBondContact O-CG2 3.36Å; V47-V51 PolarHBondContact O-N 2.93Å; V47-V68 HydrophobicContact CG1-CG1 4.45Å; V47-V68 HydrophobicContact CG1-CG2 3.91Å; V47-V68 HydrophobicContact CG2-CG1 4.12Å; V47-V68 HydrophobicContact CG2-CG2 4.33Å; V47-L172 HydrophobicContact CG1-CB 3.94Å; V47-L173 HydrophobicContact CB-CD2 4.31Å; V47-L173 HydrophobicContact CG1-CD2 4.16Å |
| 48 | D | 96.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 173.5 | -174.5 | 77.4 | 0 | 0 | 0 | 111.6 | T44 I45 M50 V51 E52 L173 I234 V236 H238 | T44-D48 PolarHBondContact O-N 3.22Å; I45-D48 PolarHBondContact O-N 2.96Å; D48-M50 VanDerWaalsContact C-N 3.33Å; D48-M50 PolarHBondContact O-N 3.22Å; D48-V51 WeakPolarHBondContact O-CB 3.44Å; D48-V51 PolarHBondContact O-N 3.08Å; D48-V51 VanDerWaalsContact O-N 3.15Å; D48-E52 PolarHBondContact O-N 3.44Å; D48-E52 VanDerWaalsContact O-N 3.13Å; D48-L173 HydrophobicContact CB-CD2 3.83Å; D48-I234 HydrophobicContact CB-CD1 4.35Å; D48-V236 VanDerWaalsContact OD2-O 3.06Å; D48-H238 PolarHBondContact OD1-N 3.35Å; D48-H238 IonicContact OD1-ND1 2.6Å; D48-H238 IonicContact OD2-CE1 3.18Å; D48-H238 IonicContact OD2-CG 2.71Å; D48-H238 IonicContact OD2-ND1 3.15Å; D48-H238 PolarHBondContact OD2-ND1 3.47Å |
| 49 | W | 96.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 171.2 | 171.4 | 81.9 | 0 | 0 | 0 | 112.8 | I45 L46 V47 V51 E52 A53 Q86 T90 L93 V113 | I45-W49 PolarHBondContact O-N 3.3Å; L46-W49 HydrophobicContact CD1-CE3 4.08Å; L46-W49 HydrophobicContact CD1-CZ3 4.43Å; L46-W49 WeakPolarHBondContact O-CB 3.22Å; L46-W49 PolarHBondContact O-N 2.81Å; V47-W49 VanDerWaalsContact C-N 3.34Å; W49-V51 VanDerWaalsContact C-N 3.26Å; W49-V51 PolarHBondContact O-N 3Å; W49-E52 WeakPolarHBondContact O-CB 3.4Å; W49-E52 PolarHBondContact O-N 3.13Å; W49-A53 PolarHBondContact O-N 3.16Å; W49-Q86 HydrophobicContact CD2-CG 4.48Å; W49-Q86 HydrophobicContact CE3-CG 4.37Å; W49-Q86 HydrophobicContact CH2-CG 4.03Å; W49-Q86 HydrophobicContact CZ2-CG 4.09Å; W49-Q86 HydrophobicContact CZ3-CG 4.16Å; W49-T90 WeakPolarHBondContact CH2-OG1 3.45Å; W49-L93 HydrophobicContact CH2-CD1 4.47Å; W49-L93 HydrophobicContact CZ3-CD1 4.18Å; W49-V113 HydrophobicContact CZ2-CG1 3.88Å |
| 50 | M | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -30.5 | 174.8 | -68.7 | 170.8 | 74.9 | 0 | 0 | 112.2 | L46 V47 D48 Q54 L64 A67 V68 L93 | L46-M50 HydrophobicContact CD2-SD 4.37Å; L46-M50 HydrophobicContact CG-CG 4.47Å; L46-M50 HydrophobicContact CG-SD 4.09Å; L46-M50 VanDerWaalsContact O-CG 3.31Å; L46-M50 WeakPolarHBondContact O-CG 3.2Å; L46-M50 PolarHBondContact O-N 3.08Å; V47-M50 WeakPolarHBondContact O-CB 3.37Å; V47-M50 PolarHBondContact O-N 3.23Å; V47-M50 VanDerWaalsContact O-N 3.14Å; D48-M50 VanDerWaalsContact C-N 3.33Å; D48-M50 PolarHBondContact O-N 3.22Å; M50-Q54 WeakPolarHBondContact O-CB 3.48Å; M50-Q54 PolarHBondContact O-N 3.09Å; M50-L64 HydrophobicContact CB-CD1 4.07Å; M50-A67 HydrophobicContact CE-CB 3.58Å; M50-V68 HydrophobicContact CE-CG2 3.93Å; M50-V68 HydrophobicContact SD-CG2 4.22Å; M50-L93 HydrophobicContact CB-CD1 4.24Å; M50-L93 HydrophobicContact CE-CD2 4.35Å; M50-L93 HydrophobicContact CE-CG 4.02Å; M50-L93 HydrophobicContact CG-CD1 4.06Å |
| 51 | V | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68 | -45.5 | 172.6 | 175 | 0 | 0 | 0 | 0 | 110.1 | V47 D48 W49 A53 Q54 E55 L64 H238 I239 K242 | V47-V51 WeakPolarHBondContact O-CG2 3.36Å; V47-V51 PolarHBondContact O-N 2.93Å; D48-V51 WeakPolarHBondContact O-CB 3.44Å; D48-V51 PolarHBondContact O-N 3.08Å; D48-V51 VanDerWaalsContact O-N 3.15Å; W49-V51 VanDerWaalsContact C-N 3.26Å; W49-V51 PolarHBondContact O-N 3Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.39Å; V51-Q54 PolarHBondContact O-N 3.24Å; V51-E55 WeakPolarHBondContact O-CG 3.24Å; V51-E55 PolarHBondContact O-N 3.26Å; V51-L64 HydrophobicContact CG2-CD1 4.24Å; V51-L64 HydrophobicContact CG2-CD2 3.92Å; V51-H238 HydrophobicContact CB-CB 4.35Å; V51-H238 HydrophobicContact CG1-CB 4.12Å; V51-I239 HydrophobicContact CB-CG1 4.22Å; V51-I239 HydrophobicContact CG1-CG1 3.93Å; V51-I239 HydrophobicContact CG2-CD1 4.05Å; V51-I239 HydrophobicContact CG2-CG1 3.66Å; V51-K242 HydrophobicContact CG1-CD 4.42Å |
| 52 | E | 96.2 | Very high | 96.7 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 31% | 0.308 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.9 | -49.1 | 173.3 | -172.2 | -168.1 | 169.6 | 0 | 0 | 111.3 | D48 W49 Q54 E55 N56 H238 | D48-E52 PolarHBondContact O-N 3.44Å; D48-E52 VanDerWaalsContact O-N 3.13Å; W49-E52 WeakPolarHBondContact O-CB 3.4Å; W49-E52 PolarHBondContact O-N 3.13Å; E52-Q54 VanDerWaalsContact C-N 3.32Å; E52-Q54 PolarHBondContact O-N 2.82Å; E52-E55 PolarHBondContact O-N 3.46Å; E52-N56 PolarHBondContact O-N 3.49Å; E52-N56 PolarHBondContact O-ND2 3.13Å; E52-H238 HydrophobicContact CB-CB 4.46Å; E52-H238 IonicContact OE2-CE1 2.79Å; E52-H238 PolarHBondContact OE2-CE1 3.47Å; E52-H238 IonicContact OE2-NE2 2.69Å |
| 53 | A | 96.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W49 V51 N56 F57 L93 V113 | W49-A53 PolarHBondContact O-N 3.16Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.39Å; A53-N56 PolarHBondContact O-N 2.99Å; A53-F57 VanDerWaalsContact O-CD2 3.25Å; A53-F57 WeakPolarHBondContact O-CD2 3.35Å; A53-F57 PolarHBondContact O-N 2.99Å; A53-L93 HydrophobicContact CB-CD1 3.82Å; A53-V113 HydrophobicContact CB-CG1 4.11Å |
| 54 | Q | 97.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 175 | 172.9 | -96.2 | -56.7 | 0 | 0 | 112 | M50 V51 E52 E58 F59 L64 | M50-Q54 WeakPolarHBondContact O-CB 3.48Å; M50-Q54 PolarHBondContact O-N 3.09Å; V51-Q54 PolarHBondContact O-N 3.24Å; E52-Q54 VanDerWaalsContact C-N 3.32Å; E52-Q54 PolarHBondContact O-N 2.82Å; Q54-E58 WeakPolarHBondContact O-CA 3.48Å; Q54-E58 PolarHBondContact O-N 3.43Å; Q54-F59 HydrophobicContact CG-CB 3.88Å; Q54-F59 PolarHBondContact NE2-O 2.87Å; Q54-F59 PolarHBondContact O-N 3.27Å; Q54-L64 HydrophobicContact CB-CB 4.28Å; Q54-L64 HydrophobicContact CB-CD1 4.38Å; Q54-L64 HydrophobicContact CG-CB 4.04Å |
| 55 | E | 95.5 | Very high | 97 | Very high | 71 Ų | 71 | 33.4 Ų | 33.4 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 177.2 | -65.5 | -70 | 106.8 | 0 | 0 | 111.1 | V51 E52 F57 E58 K242 | V51-E55 WeakPolarHBondContact O-CG 3.24Å; V51-E55 PolarHBondContact O-N 3.26Å; E52-E55 PolarHBondContact O-N 3.46Å; E55-F57 PolarHBondContact O-N 3.01Å; E55-E58 PolarHBondContact O-N 3.41Å; E55-E58 VanDerWaalsContact O-N 3.13Å; E55-K242 HydrophobicContact CG-CD 4.13Å; E55-K242 WeakPolarHBondContact OE1-CD 3.49Å; E55-K242 WeakPolarHBondContact OE1-CE 3.34Å; E55-K242 IonicContact OE1-NZ 2.75Å; E55-K242 PolarHBondContact OE1-NZ 2.98Å |
| 56 | N | 95 | Very high | 97.1 | Very high | 105 Ų | 105 | 29.8 Ų | 29.8 | 56% | 0.561 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -63.4 | -38 | 178.9 | -73.4 | -20.3 | 0 | 0 | 0 | 113.1 | E52 A53 | E52-N56 PolarHBondContact O-N 3.49Å; E52-N56 PolarHBondContact O-ND2 3.13Å; A53-N56 PolarHBondContact O-N 2.99Å |
| 57 | F | 96.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 19% | 0.193 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2.5 | 175.4 | -71.5 | -58.1 | 0 | 0 | 0 | 113.9 | A53 E55 F59 P105 D109 F110 V113 | A53-F57 VanDerWaalsContact O-CD2 3.25Å; A53-F57 WeakPolarHBondContact O-CD2 3.35Å; A53-F57 PolarHBondContact O-N 2.99Å; E55-F57 PolarHBondContact O-N 3.01Å; F57-F59 HydrophobicContact CB-CD1 3.74Å; F57-F59 HydrophobicContact CB-CD2 3.98Å; F57-F59 HydrophobicContact CB-CE1 3.43Å; F57-F59 VanDerWaalsContact CB-CE1 3.43Å; F57-F59 HydrophobicContact CB-CE2 3.69Å; F57-F59 HydrophobicContact CB-CG 4.01Å; F57-F59 HydrophobicContact CB-CZ 3.41Å; F57-F59 VanDerWaalsContact CB-CZ 3.41Å; F57-F59 HydrophobicContact CD1-CZ 4.44Å; F57-F59 AromaticContact CD2-CE2 3.66Å; F57-F59 HydrophobicContact CD2-CE2 3.66Å; F57-F59 AromaticContact CD2-CZ 3.66Å; F57-F59 HydrophobicContact CD2-CZ 3.66Å; F57-F59 HydrophobicContact CG-CE1 4.05Å; F57-F59 AromaticContact CG-CE2 3.97Å; F57-F59 HydrophobicContact CG-CE2 3.97Å; F57-F59 AromaticContact CG-CZ 3.61Å; F57-F59 HydrophobicContact CG-CZ 3.61Å; F57-F59 PolarHBondContact O-N 2.98Å; F57-P105 HydrophobicContact CD1-CB 4.19Å; F57-P105 HydrophobicContact CD1-CG 3.62Å; F57-P105 HydrophobicContact CE1-CB 3.94Å; F57-P105 HydrophobicContact CE1-CG 3.89Å; F57-P105 HydrophobicContact CG-CG 4.08Å; F57-P105 HydrophobicContact CZ-CB 4.46Å; F57-D109 HydrophobicContact CE1-CB 3.95Å; F57-D109 HydrophobicContact CZ-CB 4.21Å; F57-F110 HydrophobicContact CD2-CE1 4.46Å; F57-F110 HydrophobicContact CE2-CD1 4.13Å; F57-F110 AromaticContact CE2-CE1 3.91Å; F57-F110 HydrophobicContact CE2-CE1 3.91Å; F57-F110 HydrophobicContact CE2-CZ 4.27Å; F57-V113 HydrophobicContact CE1-CG2 4.18Å; F57-V113 HydrophobicContact CE2-CB 4.17Å; F57-V113 HydrophobicContact CE2-CG1 4.29Å; F57-V113 HydrophobicContact CE2-CG2 3.68Å; F57-V113 HydrophobicContact CZ-CB 4.14Å; F57-V113 HydrophobicContact CZ-CG2 3.38Å |
| 58 | E | 96.1 | Very high | 97.2 | Very high | 171 Ų | 171 | 29.5 Ų | 29.5 | 80% | 0.799 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36 | -174.8 | -55.3 | -176.9 | 173.5 | 0 | 0 | 113.5 | Q54 E55 | Q54-E58 WeakPolarHBondContact O-CA 3.48Å; Q54-E58 PolarHBondContact O-N 3.43Å; E55-E58 PolarHBondContact O-N 3.41Å; E55-E58 VanDerWaalsContact O-N 3.13Å |
| 59 | F | 97.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 4% | 0.044 | 14% | 0.142 | C | C | . | . | trans | -67.4 | 155.6 | 178.1 | -58.6 | -36.8 | 0 | 0 | 0 | 112 | Q54 F57 T63 L93 E101 P105 F110 | Q54-F59 HydrophobicContact CG-CB 3.88Å; Q54-F59 PolarHBondContact NE2-O 2.87Å; Q54-F59 PolarHBondContact O-N 3.27Å; F57-F59 HydrophobicContact CB-CD1 3.74Å; F57-F59 HydrophobicContact CB-CD2 3.98Å; F57-F59 HydrophobicContact CB-CE1 3.43Å; F57-F59 VanDerWaalsContact CB-CE1 3.43Å; F57-F59 HydrophobicContact CB-CE2 3.69Å; F57-F59 HydrophobicContact CB-CG 4.01Å; F57-F59 HydrophobicContact CB-CZ 3.41Å; F57-F59 VanDerWaalsContact CB-CZ 3.41Å; F57-F59 HydrophobicContact CD1-CZ 4.44Å; F57-F59 AromaticContact CD2-CE2 3.66Å; F57-F59 HydrophobicContact CD2-CE2 3.66Å; F57-F59 AromaticContact CD2-CZ 3.66Å; F57-F59 HydrophobicContact CD2-CZ 3.66Å; F57-F59 HydrophobicContact CG-CE1 4.05Å; F57-F59 AromaticContact CG-CE2 3.97Å; F57-F59 HydrophobicContact CG-CE2 3.97Å; F57-F59 AromaticContact CG-CZ 3.61Å; F57-F59 HydrophobicContact CG-CZ 3.61Å; F57-F59 PolarHBondContact O-N 2.98Å; F59-T63 HydrophobicContact CB-CG2 3.97Å; F59-T63 HydrophobicContact CD2-CG2 3.88Å; F59-T63 HydrophobicContact CG-CG2 3.97Å; F59-L93 HydrophobicContact CD2-CD2 4.42Å; F59-L93 HydrophobicContact CE2-CD2 4.46Å; F59-E101 WeakPolarHBondContact CA-OE1 3.28Å; F59-E101 WeakPolarHBondContact CB-OE1 3.25Å; F59-E101 HydrophobicContact CD1-CG 3.73Å; F59-E101 HydrophobicContact CE1-CG 4.2Å; F59-E101 HydrophobicContact CG-CG 4.37Å; F59-P105 VanDerWaalsContact CE1-CD 3.46Å; F59-P105 HydrophobicContact CE1-CG 3.63Å; F59-P105 HydrophobicContact CZ-CG 3.65Å; F59-F110 HydrophobicContact CE2-CE1 4.49Å; F59-F110 HydrophobicContact CE2-CZ 4.03Å; F59-F110 HydrophobicContact CZ-CE2 4.47Å; F59-F110 AromaticContact CZ-CZ 3.79Å; F59-F110 HydrophobicContact CZ-CZ 3.79Å | ||
| 60 | N | 96.7 | Very high | 97.4 | Very high | 60 Ų | 60 | 28.1 Ų | 28.1 | 32% | 0.321 | 14% | 0.136 | S | C | . | . | trans | -61.2 | 152.6 | 168 | -63.3 | -67.9 | 0 | 0 | 0 | 110.6 | E62 T63 L64 E101 | N60-E62 PolarHBondContact O-N 3.35Å; N60-T63 WeakPolarHBondContact O-CB 3.19Å; N60-T63 PolarHBondContact O-N 3.5Å; N60-T63 VanDerWaalsContact O-N 3.1Å; N60-L64 PolarHBondContact O-N 2.8Å; N60-E101 WeakPolarHBondContact CB-OE1 3.47Å; N60-E101 PolarHBondContact N-OE1 2.96Å; N60-E101 VanDerWaalsContact ND2-CD 3.3Å; N60-E101 PolarHBondContact ND2-OE1 2.98Å; N60-E101 VanDerWaalsContact ND2-OE1 3.08Å; N60-E101 PolarHBondContact ND2-OE2 3.19Å | ||
| 61 | H | 96.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 11% | 0.106 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 174.3 | -66.5 | -85.1 | 0 | 0 | 0 | 111.3 | T63 L64 Y65 Y144 R165 E169 K242 | H61-T63 PolarHBondContact O-N 3.48Å; H61-L64 PolarHBondContact O-N 3.34Å; H61-L64 VanDerWaalsContact O-N 3.15Å; H61-Y65 VanDerWaalsContact O-CD2 3.22Å; H61-Y65 WeakPolarHBondContact O-CD2 3.43Å; H61-Y65 PolarHBondContact O-N 2.73Å; H61-Y144 HydrophobicContact CB-CD1 4.11Å; H61-Y144 HydrophobicContact CB-CD2 3.89Å; H61-Y144 HydrophobicContact CB-CE1 3.69Å; H61-Y144 HydrophobicContact CB-CE2 3.42Å; H61-Y144 VanDerWaalsContact CB-CE2 3.42Å; H61-Y144 HydrophobicContact CB-CG 4.2Å; H61-Y144 AromaticContact CD2-CZ 3.86Å; H61-Y144 PolarHBondContact CD2-OH 3.31Å; H61-Y144 VanDerWaalsContact CD2-OH 3.25Å; H61-Y144 AromaticContact CG-CE2 3.7Å; H61-Y144 AromaticContact CG-CZ 3.72Å; H61-R165 PolarHBondContact CD2-NH1 3.19Å; H61-R165 PolarHBondContact NE2-NH1 3.1Å; H61-E169 IonicContact CE1-OE2 3.96Å; H61-E169 IonicContact ND1-OE2 2.75Å; H61-K242 PolarHBondContact CE1-NZ 3.48Å |
| 62 | E | 97.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.3 | -41.9 | 174.5 | -75.6 | 86.4 | 170.5 | 0 | 0 | 112.5 | N60 Y65 Q66 D100 Y144 R145 R148 | N60-E62 PolarHBondContact O-N 3.35Å; E62-Y65 PolarHBondContact O-N 2.79Å; E62-Q66 VanDerWaalsContact O-CB 3.22Å; E62-Q66 WeakPolarHBondContact O-CB 3.32Å; E62-Q66 PolarHBondContact O-N 3.21Å; E62-D100 WeakPolarHBondContact CB-OD2 3.45Å; E62-Y144 HydrophobicContact CG-CD1 3.86Å; E62-Y144 HydrophobicContact CG-CE1 4.17Å; E62-Y144 VanDerWaalsContact OE1-CE1 3.24Å; E62-Y144 WeakPolarHBondContact OE1-CE1 3.49Å; E62-Y144 VanDerWaalsContact OE2-CE1 3.23Å; E62-Y144 WeakPolarHBondContact OE2-CE1 3.43Å; E62-R145 HydrophobicContact CG-CG 4.09Å; E62-R148 IonicContact OE1-CZ 3.13Å; E62-R148 IonicContact OE1-NH1 3.87Å; E62-R148 PolarHBondContact OE1-NH1 3.38Å |
| 63 | T | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 177 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | F59 N60 H61 Q66 A67 C96 E101 | F59-T63 HydrophobicContact CB-CG2 3.97Å; F59-T63 HydrophobicContact CD2-CG2 3.88Å; F59-T63 HydrophobicContact CG-CG2 3.97Å; N60-T63 WeakPolarHBondContact O-CB 3.19Å; N60-T63 PolarHBondContact O-N 3.5Å; N60-T63 VanDerWaalsContact O-N 3.1Å; H61-T63 PolarHBondContact O-N 3.48Å; T63-Q66 PolarHBondContact O-N 3.04Å; T63-A67 VanDerWaalsContact O-CB 3.3Å; T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 3.11Å; T63-C96 HydrophobicContact CG2-CB 4.25Å; T63-E101 WeakPolarHBondContact CB-OE1 3.38Å; T63-E101 HydrophobicContact CG2-CG 4.41Å; T63-E101 PolarHBondContact OG1-OE1 2.88Å |
| 64 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -51.3 | 176 | 172.5 | 66 | 0 | 0 | 0 | 111.4 | M50 V51 Q54 N60 H61 Q66 A67 V68 E169 L172 | M50-L64 HydrophobicContact CB-CD1 4.07Å; V51-L64 HydrophobicContact CG2-CD1 4.24Å; V51-L64 HydrophobicContact CG2-CD2 3.92Å; Q54-L64 HydrophobicContact CB-CB 4.28Å; Q54-L64 HydrophobicContact CB-CD1 4.38Å; Q54-L64 HydrophobicContact CG-CB 4.04Å; N60-L64 PolarHBondContact O-N 2.8Å; H61-L64 PolarHBondContact O-N 3.34Å; H61-L64 VanDerWaalsContact O-N 3.15Å; L64-Q66 VanDerWaalsContact C-N 3.28Å; L64-Q66 PolarHBondContact O-N 2.87Å; L64-A67 PolarHBondContact O-N 3.08Å; L64-V68 HydrophobicContact CD1-CG2 4.07Å; L64-V68 WeakPolarHBondContact O-CG2 3.48Å; L64-V68 PolarHBondContact O-N 2.6Å; L64-E169 HydrophobicContact CD2-CG 4.29Å; L64-L172 HydrophobicContact CD2-CD1 4.36Å; L64-L172 HydrophobicContact CG-CD1 4.39Å |
| 65 | Y | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | -178.6 | -83.4 | -105.3 | 0 | 0 | 0 | 111.3 | H61 E62 K69 S143 Y144 L168 E169 L172 | H61-Y65 VanDerWaalsContact O-CD2 3.22Å; H61-Y65 WeakPolarHBondContact O-CD2 3.43Å; H61-Y65 PolarHBondContact O-N 2.73Å; E62-Y65 PolarHBondContact O-N 2.79Å; Y65-K69 VanDerWaalsContact O-CB 3.3Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3Å; Y65-S143 WeakPolarHBondContact CE1-OG 3.45Å; Y65-Y144 HydrophobicContact CD2-CD2 4.31Å; Y65-Y144 HydrophobicContact CD2-CG 4.23Å; Y65-Y144 AromaticContact CE2-CD2 3.82Å; Y65-Y144 HydrophobicContact CE2-CD2 3.82Å; Y65-Y144 HydrophobicContact CE2-CG 4.17Å; Y65-L168 HydrophobicContact CE1-CD2 3.77Å; Y65-L168 HydrophobicContact CE1-CG 3.81Å; Y65-L168 WeakPolarHBondContact OH-CG 3.36Å; Y65-E169 WeakPolarHBondContact OH-CA 3.26Å; Y65-E169 PolarHBondContact OH-N 3.31Å; Y65-L172 HydrophobicContact CD1-CD1 4.11Å; Y65-L172 HydrophobicContact CD1-CD2 3.92Å; Y65-L172 HydrophobicContact CD1-CG 4.46Å; Y65-L172 HydrophobicContact CD2-CD1 4.08Å; Y65-L172 HydrophobicContact CE1-CD1 3.95Å; Y65-L172 HydrophobicContact CE1-CD2 3.9Å; Y65-L172 HydrophobicContact CE1-CG 4.12Å; Y65-L172 HydrophobicContact CE2-CD1 3.96Å; Y65-L172 HydrophobicContact CG-CD1 4.19Å |
| 66 | Q | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 176.4 | -166.9 | 131.3 | 84.8 | 0 | 0 | 111.8 | E62 T63 L64 K69 L70 C96 I138 F140 L142 | E62-Q66 VanDerWaalsContact O-CB 3.22Å; E62-Q66 WeakPolarHBondContact O-CB 3.32Å; E62-Q66 PolarHBondContact O-N 3.21Å; T63-Q66 PolarHBondContact O-N 3.04Å; L64-Q66 VanDerWaalsContact C-N 3.28Å; L64-Q66 PolarHBondContact O-N 2.87Å; Q66-K69 PolarHBondContact O-N 3.26Å; Q66-L70 VanDerWaalsContact O-CB 3.3Å; Q66-L70 WeakPolarHBondContact O-CB 3.49Å; Q66-L70 PolarHBondContact O-N 2.9Å; Q66-C96 VanDerWaalsContact C-SG 3.54Å; Q66-C96 HydrophobicContact CB-CB 4.18Å; Q66-C96 HydrophobicContact CG-CB 4.2Å; Q66-C96 VanDerWaalsContact CG-SG 3.56Å; Q66-I138 HydrophobicContact CG-CG2 4.43Å; Q66-I138 PolarHBondContact NE2-O 3.48Å; Q66-F140 HydrophobicContact CG-CD2 4.08Å; Q66-F140 HydrophobicContact CG-CE2 4.44Å; Q66-L142 HydrophobicContact CB-CD1 4.04Å; Q66-L142 HydrophobicContact CB-CD2 4.34Å |
| 67 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M50 T63 L64 K69 L70 T71 A92 L93 C96 | M50-A67 HydrophobicContact CE-CB 3.58Å; T63-A67 VanDerWaalsContact O-CB 3.3Å; T63-A67 WeakPolarHBondContact O-CB 3.48Å; T63-A67 PolarHBondContact O-N 3.11Å; L64-A67 PolarHBondContact O-N 3.08Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 2.97Å; A67-L70 PolarHBondContact O-N 3.2Å; A67-T71 PolarHBondContact O-N 2.9Å; A67-T71 PolarHBondContact O-OG1 2.8Å; A67-T71 VanDerWaalsContact O-OG1 3.08Å; A67-A92 HydrophobicContact CB-CB 4.25Å; A67-A92 WeakPolarHBondContact O-CB 3.22Å; A67-L93 HydrophobicContact CB-CD2 3.69Å; A67-L93 HydrophobicContact CB-CG 4.03Å; A67-C96 VanDerWaalsContact CA-SG 3.54Å; A67-C96 HydrophobicContact CB-CB 4.12Å; A67-C96 PolarHBondContact N-SG 3.5Å |
| 68 | V | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | V47 M50 L64 L70 T71 D72 L172 | V47-V68 HydrophobicContact CG1-CG1 4.45Å; V47-V68 HydrophobicContact CG1-CG2 3.91Å; V47-V68 HydrophobicContact CG2-CG1 4.12Å; V47-V68 HydrophobicContact CG2-CG2 4.33Å; M50-V68 HydrophobicContact CE-CG2 3.93Å; M50-V68 HydrophobicContact SD-CG2 4.22Å; L64-V68 HydrophobicContact CD1-CG2 4.07Å; L64-V68 WeakPolarHBondContact O-CG2 3.48Å; L64-V68 PolarHBondContact O-N 2.6Å; V68-L70 VanDerWaalsContact C-N 3.34Å; V68-L70 PolarHBondContact O-N 3.02Å; V68-T71 WeakPolarHBondContact O-CB 3.43Å; V68-T71 PolarHBondContact O-N 3.39Å; V68-D72 PolarHBondContact O-N 2.99Å; V68-L172 HydrophobicContact CG1-CB 4.45Å; V68-L172 HydrophobicContact CG1-CD2 4.26Å; V68-L172 HydrophobicContact CG2-CD1 4.5Å |
| 69 | K | 98 | Very high | 97.8 | Very high | 16 Ų | 16 | 20.2 Ų | 20.2 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.4 | -172.3 | 64 | 171.5 | -162.6 | 0 | 112.2 | F26 Y65 Q66 A67 D72 L73 F140 L142 E182 | F26-K69 WeakPolarHBondContact O-CE 3.3Å; F26-K69 PolarHBondContact O-NZ 3.32Å; F26-K69 VanDerWaalsContact O-NZ 3.15Å; Y65-K69 VanDerWaalsContact O-CB 3.3Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3Å; Q66-K69 PolarHBondContact O-N 3.26Å; A67-K69 VanDerWaalsContact C-N 3.32Å; A67-K69 PolarHBondContact O-N 2.97Å; K69-D72 PolarHBondContact O-N 3.45Å; K69-L73 HydrophobicContact CG-CD1 4.06Å; K69-L73 WeakPolarHBondContact O-CB 3.32Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.46Å; K69-L73 PolarHBondContact O-N 3.15Å; K69-F140 HydrophobicContact CB-CD2 4.37Å; K69-F140 HydrophobicContact CG-CB 4.25Å; K69-F140 HydrophobicContact CG-CD2 4.09Å; K69-F140 HydrophobicContact CG-CG 4.21Å; K69-L142 HydrophobicContact CB-CD2 4.36Å; K69-E182 WeakPolarHBondContact CE-OE1 3.48Å; K69-E182 IonicContact NZ-OE1 2.6Å; K69-E182 PolarHBondContact NZ-OE1 3.17Å |
| 70 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.3 | -179.4 | 56.4 | 0 | 0 | 0 | 111.5 | Q66 A67 V68 L73 Y74 A92 I95 M130 V134 F140 | Q66-L70 VanDerWaalsContact O-CB 3.3Å; Q66-L70 WeakPolarHBondContact O-CB 3.49Å; Q66-L70 PolarHBondContact O-N 2.9Å; A67-L70 PolarHBondContact O-N 3.2Å; V68-L70 VanDerWaalsContact C-N 3.34Å; V68-L70 PolarHBondContact O-N 3.02Å; L70-L73 PolarHBondContact O-N 3.46Å; L70-Y74 WeakPolarHBondContact O-CB 3.29Å; L70-Y74 PolarHBondContact O-N 2.97Å; L70-A92 HydrophobicContact CB-CB 4.32Å; L70-A92 HydrophobicContact CD2-CB 4.2Å; L70-A92 HydrophobicContact CG-CB 4.28Å; L70-I95 HydrophobicContact CD2-CB 4.04Å; L70-I95 HydrophobicContact CD2-CD1 4.12Å; L70-I95 HydrophobicContact CD2-CG2 3.84Å; L70-M130 HydrophobicContact CD1-CG 3.9Å; L70-M130 HydrophobicContact CD1-SD 4.16Å; L70-M130 HydrophobicContact CD2-CG 4.22Å; L70-M130 HydrophobicContact CD2-SD 3.61Å; L70-M130 HydrophobicContact CG-CG 4Å; L70-M130 HydrophobicContact CG-SD 3.55Å; L70-M130 VanDerWaalsContact CG-SD 3.55Å; L70-V134 HydrophobicContact CD1-CB 4.45Å; L70-V134 HydrophobicContact CD1-CG1 3.69Å; L70-V134 HydrophobicContact CD1-CG2 4.06Å; L70-F140 HydrophobicContact CB-CE2 4.05Å; L70-F140 HydrophobicContact CD1-CE2 4.17Å; L70-F140 HydrophobicContact CD1-CZ 4.01Å |
| 71 | T | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.2 | -49.9 | 172.5 | -63 | 0 | 0 | 0 | 0 | 110.9 | L46 A67 V68 L73 Y74 L75 I88 A92 | L46-T71 HydrophobicContact CD2-CG2 3.89Å; A67-T71 PolarHBondContact O-N 2.9Å; A67-T71 PolarHBondContact O-OG1 2.8Å; A67-T71 VanDerWaalsContact O-OG1 3.08Å; V68-T71 WeakPolarHBondContact O-CB 3.43Å; V68-T71 PolarHBondContact O-N 3.39Å; T71-L73 PolarHBondContact O-N 3.22Å; T71-Y74 PolarHBondContact O-N 3.29Å; T71-L75 HydrophobicContact CG2-CD1 3.82Å; T71-L75 HydrophobicContact CG2-CG 4.3Å; T71-L75 WeakPolarHBondContact O-CB 3.02Å; T71-L75 WeakPolarHBondContact O-CG 3.3Å; T71-L75 PolarHBondContact O-N 2.79Å; T71-I88 HydrophobicContact CG2-CG2 4.12Å; T71-A92 WeakPolarHBondContact OG1-CB 3.41Å |
| 72 | D | 98.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 179.3 | -73.9 | -26.3 | 0 | 0 | 0 | 112.4 | V28 Y31 R43 V68 K69 Y74 L75 D76 C178 | V28-D72 HydrophobicContact CG1-CB 4.24Å; V28-D72 HydrophobicContact CG2-CB 4.2Å; Y31-D72 HydrophobicContact CE1-CB 3.96Å; Y31-D72 PolarHBondContact OH-OD1 2.99Å; R43-D72 IonicContact CZ-OD1 3.56Å; R43-D72 IonicContact CZ-OD2 2.81Å; R43-D72 IonicContact NE-OD1 2.77Å; R43-D72 PolarHBondContact NE-OD1 2.95Å; R43-D72 IonicContact NE-OD2 3.03Å; R43-D72 IonicContact NH2-OD1 3.46Å; R43-D72 PolarHBondContact NH2-OD1 2.83Å; R43-D72 VanDerWaalsContact NH2-OD1 3.13Å; R43-D72 IonicContact NH2-OD2 3.71Å; R43-D72 PolarHBondContact NH2-OD2 3.48Å; V68-D72 PolarHBondContact O-N 2.99Å; K69-D72 PolarHBondContact O-N 3.45Å; D72-Y74 VanDerWaalsContact C-N 3.28Å; D72-Y74 PolarHBondContact O-N 3.23Å; D72-L75 PolarHBondContact O-N 3.19Å; D72-D76 WeakPolarHBondContact O-CB 3.39Å; D72-D76 PolarHBondContact O-N 3.31Å; D72-C178 PolarHBondContact OD2-SG 3.16Å |
| 73 | L | 97.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -33.4 | 176.7 | -75.9 | 166.7 | 0 | 0 | 0 | 112.9 | F26 V28 K69 L70 T71 V134 F140 | F26-L73 HydrophobicContact CD1-CD1 4.32Å; V28-L73 HydrophobicContact CG2-CD2 3.61Å; V28-L73 HydrophobicContact CG2-CG 3.87Å; K69-L73 HydrophobicContact CG-CD1 4.06Å; K69-L73 WeakPolarHBondContact O-CB 3.32Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.46Å; K69-L73 PolarHBondContact O-N 3.15Å; L70-L73 PolarHBondContact O-N 3.46Å; T71-L73 PolarHBondContact O-N 3.22Å; L73-V134 HydrophobicContact CB-CG1 4.25Å; L73-F140 HydrophobicContact CD1-CD1 3.83Å; L73-F140 HydrophobicContact CD1-CD2 4.37Å; L73-F140 HydrophobicContact CD1-CE1 3.45Å; L73-F140 VanDerWaalsContact CD1-CE1 3.45Å; L73-F140 HydrophobicContact CD1-CE2 4.09Å; L73-F140 HydrophobicContact CD1-CG 4.26Å; L73-F140 HydrophobicContact CD1-CZ 3.62Å |
| 74 | Y | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.9 | -50.1 | 176.3 | -178.6 | -91.8 | 0 | 0 | 0 | 111.3 | L70 T71 D72 D76 K77 V78 I88 M129 M130 V133 | L70-Y74 WeakPolarHBondContact O-CB 3.29Å; L70-Y74 PolarHBondContact O-N 2.97Å; T71-Y74 PolarHBondContact O-N 3.29Å; D72-Y74 VanDerWaalsContact C-N 3.28Å; D72-Y74 PolarHBondContact O-N 3.23Å; Y74-D76 PolarHBondContact O-N 2.95Å; Y74-K77 PolarHBondContact O-N 3.22Å; Y74-V78 HydrophobicContact CD1-CB 4.22Å; Y74-V78 HydrophobicContact CD2-CG2 4.19Å; Y74-V78 HydrophobicContact CE1-CB 3.77Å; Y74-V78 HydrophobicContact CE1-CG1 3.91Å; Y74-V78 HydrophobicContact CE1-CG2 4.24Å; Y74-V78 HydrophobicContact CE2-CB 4.29Å; Y74-V78 HydrophobicContact CE2-CG2 3.84Å; Y74-V78 PolarHBondContact O-N 2.92Å; Y74-I88 HydrophobicContact CD1-CD1 4.03Å; Y74-I88 HydrophobicContact CD1-CG1 4.33Å; Y74-I88 HydrophobicContact CD1-CG2 3.87Å; Y74-I88 HydrophobicContact CE1-CD1 3.4Å; Y74-I88 HydrophobicContact CE1-CG1 3.98Å; Y74-I88 HydrophobicContact CE1-CG2 4.35Å; Y74-M129 HydrophobicContact CE2-CG 4.19Å; Y74-M129 PolarHBondContact OH-SD 3.48Å; Y74-M130 HydrophobicContact CD1-CE 4.34Å; Y74-M130 HydrophobicContact CD2-CB 3.97Å; Y74-M130 HydrophobicContact CD2-CE 4.25Å; Y74-M130 HydrophobicContact CD2-CG 3.89Å; Y74-M130 HydrophobicContact CE2-CB 4.16Å; Y74-M130 HydrophobicContact CG-CE 4.01Å; Y74-M130 HydrophobicContact CG-CG 4.36Å; Y74-V133 HydrophobicContact CD2-CB 4.03Å; Y74-V133 HydrophobicContact CD2-CG1 4.01Å; Y74-V133 HydrophobicContact CD2-CG2 4.18Å; Y74-V133 HydrophobicContact CE2-CB 4.32Å; Y74-V133 HydrophobicContact CE2-CG2 3.97Å |
| 75 | L | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.8 | -21.2 | 177.8 | -66.4 | 178.8 | 0 | 0 | 0 | 112.5 | Y31 Q35 T71 D72 K77 T80 L85 I88 | Y31-L75 HydrophobicContact CD2-CB 3.86Å; Y31-L75 HydrophobicContact CE2-CB 3.36Å; Y31-L75 HydrophobicContact CE2-CD1 4.02Å; Y31-L75 HydrophobicContact CE2-CG 4.34Å; Q35-L75 PolarHBondContact NE2-O 3.01Å; T71-L75 HydrophobicContact CG2-CD1 3.82Å; T71-L75 HydrophobicContact CG2-CG 4.3Å; T71-L75 WeakPolarHBondContact O-CB 3.02Å; T71-L75 WeakPolarHBondContact O-CG 3.3Å; T71-L75 PolarHBondContact O-N 2.79Å; D72-L75 PolarHBondContact O-N 3.19Å; L75-K77 PolarHBondContact O-N 3.4Å; L75-T80 HydrophobicContact CD2-CG2 4.11Å; L75-T80 VanDerWaalsContact CD2-OG1 3.29Å; L75-T80 WeakPolarHBondContact CD2-OG1 3.08Å; L75-L85 HydrophobicContact CD1-CD1 4.08Å; L75-L85 HydrophobicContact CD2-CD1 4.43Å; L75-I88 HydrophobicContact CD2-CG2 4.48Å |
| 76 | D | 96.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29 | 171.8 | -165 | 8.4 | 0 | 0 | 0 | 112.8 | V28 Y31 R34 D72 Y74 | V28-D76 HydrophobicContact CG1-CB 4.41Å; Y31-D76 WeakPolarHBondContact CB-OD1 3.17Å; Y31-D76 HydrophobicContact CG-CB 4.32Å; R34-D76 IonicContact CZ-OD1 3.39Å; R34-D76 IonicContact NE-OD1 2.66Å; R34-D76 PolarHBondContact NE-OD1 3.22Å; R34-D76 IonicContact NH2-OD1 3.38Å; R34-D76 PolarHBondContact NH2-OD1 3.46Å; D72-D76 WeakPolarHBondContact O-CB 3.39Å; D72-D76 PolarHBondContact O-N 3.31Å; Y74-D76 PolarHBondContact O-N 2.95Å |
| 77 | K | 96.1 | Very high | 97.8 | Very high | 121 Ų | 121 | 40.4 Ų | 40.4 | 53% | 0.526 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -21.6 | -169.7 | -61.7 | 174.3 | -173.9 | 172.9 | 0 | 114.2 | Y74 L75 V133 | Y74-K77 PolarHBondContact O-N 3.22Å; L75-K77 PolarHBondContact O-N 3.4Å; K77-V133 HydrophobicContact CB-CG1 3.99Å; K77-V133 HydrophobicContact CD-CG1 3.71Å; K77-V133 HydrophobicContact CG-CG1 4.48Å; K77-V133 PolarHBondContact NZ-O 2.6Å |
| 78 | V | 97.7 | Very high | 97.8 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -124.3 | 120.7 | -171 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | Q35 Y74 T80 V133 | Q35-V78 PolarHBondContact NE2-O 2.89Å; Y74-V78 HydrophobicContact CD1-CB 4.22Å; Y74-V78 HydrophobicContact CD2-CG2 4.19Å; Y74-V78 HydrophobicContact CE1-CB 3.77Å; Y74-V78 HydrophobicContact CE1-CG1 3.91Å; Y74-V78 HydrophobicContact CE1-CG2 4.24Å; Y74-V78 HydrophobicContact CE2-CB 4.29Å; Y74-V78 HydrophobicContact CE2-CG2 3.84Å; Y74-V78 PolarHBondContact O-N 2.92Å; V78-T80 PolarHBondContact O-N 3.13Å; V78-T80 PolarHBondContact O-OG1 3.38Å; V78-V133 HydrophobicContact CG2-CG1 4.12Å; V78-V133 HydrophobicContact CG2-CG2 3.76Å |
| 79 | Q | 97.8 | Very high | 97.8 | Very high | 90 Ų | 90 | 40.3 Ų | 40.3 | 42% | 0.421 | 19% | 0.185 | S | C | . | . | trans | -60 | 125.8 | 169.1 | -67.7 | -57.6 | -54.6 | 0 | 0 | 109.5 | R34 | R34-Q79 PolarHBondContact O-NE2 3.2Å; R34-Q79 PolarHBondContact O-OE1 3.23Å | ||
| 80 | T | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | trans | -122.6 | 135.8 | -176 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | Q35 I38 L75 V78 E84 I88 | Q35-T80 VanDerWaalsContact OE1-N 3.12Å; I38-T80 HydrophobicContact CD1-CG2 4.46Å; I38-T80 WeakPolarHBondContact CD1-O 3.38Å; I38-T80 WeakPolarHBondContact CG1-O 3.45Å; L75-T80 HydrophobicContact CD2-CG2 4.11Å; L75-T80 VanDerWaalsContact CD2-OG1 3.29Å; L75-T80 WeakPolarHBondContact CD2-OG1 3.08Å; V78-T80 PolarHBondContact O-N 3.13Å; V78-T80 PolarHBondContact O-OG1 3.38Å; T80-E84 HydrophobicContact CG2-CB 3.94Å; T80-I88 HydrophobicContact CG2-CG1 3.88Å | ||
| 81 | S | 97.7 | Very high | 97.8 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | trans | -79 | 155.5 | 174.5 | 73 | 0 | 0 | 0 | 0 | 111.1 | K83 E84 L85 | S81-K83 PolarHBondContact O-N 3.06Å; S81-K83 VanDerWaalsContact O-N 3.11Å; S81-E84 WeakPolarHBondContact CB-OE2 3.48Å; S81-E84 PolarHBondContact N-OE2 2.94Å; S81-E84 PolarHBondContact O-N 3.27Å; S81-E84 WeakPolarHBondContact OG-CG 2.89Å; S81-E84 PolarHBondContact OG-OE2 3.04Å; S81-L85 PolarHBondContact O-N 3.14Å | ||
| 82 | R | 97.3 | Very high | 97.9 | Very high | 181 Ų | 181 | 39.6 Ų | 39.6 | 68% | 0.683 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -53.4 | -35 | 176.2 | -179.2 | -179.3 | 174.4 | -177.6 | -2.1 | 113 | M42 E84 L85 | M42-R82 HydrophobicContact CE-CG 4.2Å; M42-R82 HydrophobicContact SD-CG 4.04Å; R82-E84 VanDerWaalsContact C-N 3.3Å; R82-E84 PolarHBondContact O-N 3.01Å; R82-L85 PolarHBondContact O-N 2.88Å |
| 83 | K | 96.4 | Very high | 97.9 | Very high | 179 Ų | 179 | 39.2 Ų | 39.2 | 78% | 0.778 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -72.1 | -24.3 | -177.8 | -65.7 | -176.7 | 178.9 | -178.5 | 0 | 113 | S81 Y118 | S81-K83 PolarHBondContact O-N 3.06Å; S81-K83 VanDerWaalsContact O-N 3.11Å; K83-Y118 WeakPolarHBondContact O-CE1 3.29Å; K83-Y118 PolarHBondContact O-OH 3.48Å |
| 84 | E | 97.6 | Very high | 97.9 | Very high | 60 Ų | 60 | 39.4 Ų | 39.4 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -93.3 | -10 | -179.3 | -67.9 | 168.7 | 116.2 | 0 | 0 | 112.6 | T80 S81 R82 Q86 L87 I88 K126 | T80-E84 HydrophobicContact CG2-CB 3.94Å; S81-E84 WeakPolarHBondContact CB-OE2 3.48Å; S81-E84 PolarHBondContact N-OE2 2.94Å; S81-E84 PolarHBondContact O-N 3.27Å; S81-E84 WeakPolarHBondContact OG-CG 2.89Å; S81-E84 PolarHBondContact OG-OE2 3.04Å; R82-E84 VanDerWaalsContact C-N 3.3Å; R82-E84 PolarHBondContact O-N 3.01Å; E84-Q86 PolarHBondContact O-N 3.26Å; E84-L87 WeakPolarHBondContact O-CA 3.38Å; E84-L87 WeakPolarHBondContact O-CB 3.49Å; E84-L87 PolarHBondContact O-N 3.03Å; E84-L87 VanDerWaalsContact O-N 3.1Å; E84-I88 WeakPolarHBondContact O-CG1 3.31Å; E84-I88 PolarHBondContact O-N 3.15Å; E84-K126 WeakPolarHBondContact OE1-CE 3.2Å; E84-K126 IonicContact OE1-NZ 3.78Å; E84-K126 PolarHBondContact OE1-NZ 3.42Å |
| 85 | L | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | -171.3 | -175.5 | 63.5 | 0 | 0 | 0 | 112.8 | I38 M42 L46 L75 S81 R82 I88 G89 | I38-L85 HydrophobicContact CD1-CB 4.07Å; I38-L85 HydrophobicContact CD1-CD1 4.18Å; I38-L85 HydrophobicContact CD1-CD2 4.21Å; I38-L85 HydrophobicContact CD1-CG 4.37Å; I38-L85 HydrophobicContact CG1-CD1 4.4Å; I38-L85 HydrophobicContact CG2-CD1 4.12Å; I38-L85 HydrophobicContact CG2-CD2 4.1Å; M42-L85 HydrophobicContact CB-CD2 3.71Å; L46-L85 HydrophobicContact CB-CD2 4.35Å; L46-L85 HydrophobicContact CB-CG 4.37Å; L46-L85 HydrophobicContact CD1-CG 4.49Å; L46-L85 WeakPolarHBondContact CD1-O 3.16Å; L46-L85 HydrophobicContact CD2-CD1 3.79Å; L46-L85 HydrophobicContact CD2-CG 3.92Å; L46-L85 HydrophobicContact CG-CG 4.49Å; L75-L85 HydrophobicContact CD1-CD1 4.08Å; L75-L85 HydrophobicContact CD2-CD1 4.43Å; S81-L85 PolarHBondContact O-N 3.14Å; R82-L85 PolarHBondContact O-N 2.88Å; L85-I88 PolarHBondContact O-N 3.47Å; L85-G89 PolarHBondContact O-N 3.4Å; L85-G89 VanDerWaalsContact O-N 3.15Å |
| 86 | Q | 98.3 | Very high | 98 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 174.7 | -172.5 | -174.1 | 42.3 | 0 | 0 | 110.5 | L46 W49 E84 I88 G89 T90 Y118 | L46-Q86 HydrophobicContact CD1-CB 4.46Å; W49-Q86 HydrophobicContact CD2-CG 4.48Å; W49-Q86 HydrophobicContact CE3-CG 4.37Å; W49-Q86 HydrophobicContact CH2-CG 4.03Å; W49-Q86 HydrophobicContact CZ2-CG 4.09Å; W49-Q86 HydrophobicContact CZ3-CG 4.16Å; E84-Q86 PolarHBondContact O-N 3.26Å; Q86-I88 PolarHBondContact O-N 3.1Å; Q86-G89 CarbonylContact O-C 3.51Å; Q86-G89 WeakPolarHBondContact O-CA 3.48Å; Q86-G89 PolarHBondContact O-N 3.32Å; Q86-T90 PolarHBondContact O-N 3.36Å; Q86-T90 PolarHBondContact O-OG1 3.44Å; Q86-Y118 HydrophobicContact CB-CE2 4.14Å; Q86-Y118 HydrophobicContact CG-CE2 4.34Å |
| 87 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -53.5 | -39.3 | 174.9 | -177.3 | 60.8 | 0 | 0 | 0 | 112.9 | E84 T91 Y118 E122 L123 K126 | E84-L87 WeakPolarHBondContact O-CA 3.38Å; E84-L87 WeakPolarHBondContact O-CB 3.49Å; E84-L87 PolarHBondContact O-N 3.03Å; E84-L87 VanDerWaalsContact O-N 3.1Å; L87-T91 WeakPolarHBondContact O-CB 3.5Å; L87-T91 PolarHBondContact O-N 2.9Å; L87-T91 PolarHBondContact O-OG1 2.81Å; L87-Y118 HydrophobicContact CB-CD1 4Å; L87-Y118 HydrophobicContact CB-CD2 4.09Å; L87-Y118 HydrophobicContact CB-CE1 3.74Å; L87-Y118 HydrophobicContact CB-CE2 3.82Å; L87-Y118 HydrophobicContact CB-CG 4.16Å; L87-Y118 HydrophobicContact CD1-CD1 4.28Å; L87-Y118 HydrophobicContact CD1-CD2 4.03Å; L87-Y118 HydrophobicContact CD1-CG 3.84Å; L87-Y118 HydrophobicContact CD2-CD1 4.05Å; L87-Y118 HydrophobicContact CD2-CE1 4.37Å; L87-Y118 HydrophobicContact CD2-CG 4.44Å; L87-Y118 HydrophobicContact CG-CD1 4.34Å; L87-Y118 HydrophobicContact CG-CG 4.37Å; L87-Y118 PolarHBondContact N-OH 3.18Å; L87-E122 HydrophobicContact CD2-CB 4.05Å; L87-L123 HydrophobicContact CD1-CB 4.16Å; L87-K126 HydrophobicContact CD2-CG 3.59Å; L87-K126 HydrophobicContact CG-CB 4.49Å; L87-K126 HydrophobicContact CG-CG 3.89Å |
| 88 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -47.8 | 174 | -65.1 | -49.7 | 0 | 0 | 0 | 111.1 | T71 Y74 L75 T80 E84 L85 Q86 T91 A92 K126 M130 | T71-I88 HydrophobicContact CG2-CG2 4.12Å; Y74-I88 HydrophobicContact CD1-CD1 4.03Å; Y74-I88 HydrophobicContact CD1-CG1 4.33Å; Y74-I88 HydrophobicContact CD1-CG2 3.87Å; Y74-I88 HydrophobicContact CE1-CD1 3.4Å; Y74-I88 HydrophobicContact CE1-CG1 3.98Å; Y74-I88 HydrophobicContact CE1-CG2 4.35Å; L75-I88 HydrophobicContact CD2-CG2 4.48Å; T80-I88 HydrophobicContact CG2-CG1 3.88Å; E84-I88 WeakPolarHBondContact O-CG1 3.31Å; E84-I88 PolarHBondContact O-N 3.15Å; L85-I88 PolarHBondContact O-N 3.47Å; Q86-I88 PolarHBondContact O-N 3.1Å; I88-T91 PolarHBondContact O-N 3.08Å; I88-A92 WeakPolarHBondContact O-CB 3.47Å; I88-A92 PolarHBondContact O-N 2.87Å; I88-K126 HydrophobicContact CD1-CD 4.06Å; I88-K126 HydrophobicContact CD1-CG 4.45Å; I88-M130 HydrophobicContact CB-CE 4.44Å; I88-M130 HydrophobicContact CD1-CE 4.34Å; I88-M130 HydrophobicContact CG2-CE 3.64Å; I88-M130 WeakPolarHBondContact O-CE 3.42Å |
| 89 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L85 Q86 T91 A92 L93 | L85-G89 PolarHBondContact O-N 3.4Å; L85-G89 VanDerWaalsContact O-N 3.15Å; Q86-G89 CarbonylContact O-C 3.51Å; Q86-G89 WeakPolarHBondContact O-CA 3.48Å; Q86-G89 PolarHBondContact O-N 3.32Å; G89-T91 PolarHBondContact O-N 3.29Å; G89-A92 PolarHBondContact O-N 3.03Å; G89-L93 PolarHBondContact O-N 3.44Å |
| 90 | T | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 175.2 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | W49 Q86 A92 L93 F94 F110 C114 L123 | W49-T90 WeakPolarHBondContact CH2-OG1 3.45Å; Q86-T90 PolarHBondContact O-N 3.36Å; Q86-T90 PolarHBondContact O-OG1 3.44Å; T90-A92 VanDerWaalsContact C-N 3.3Å; T90-A92 PolarHBondContact O-N 3.2Å; T90-L93 PolarHBondContact O-N 2.92Å; T90-F94 PolarHBondContact O-N 3.42Å; T90-F110 HydrophobicContact CG2-CB 3.93Å; T90-F110 HydrophobicContact CG2-CD1 3.71Å; T90-F110 HydrophobicContact CG2-CG 4.24Å; T90-C114 WeakPolarHBondContact CG2-SG 3.11Å; T90-C114 PolarHBondContact OG1-SG 2.59Å; T90-L123 HydrophobicContact CG2-CD1 4.01Å |
| 91 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | L87 I88 G89 F94 I95 K126 E127 M130 | L87-T91 WeakPolarHBondContact O-CB 3.5Å; L87-T91 PolarHBondContact O-N 2.9Å; L87-T91 PolarHBondContact O-OG1 2.81Å; I88-T91 PolarHBondContact O-N 3.08Å; G89-T91 PolarHBondContact O-N 3.29Å; T91-F94 PolarHBondContact O-N 2.86Å; T91-I95 HydrophobicContact CG2-CD1 3.98Å; T91-I95 WeakPolarHBondContact O-CG1 3.44Å; T91-I95 PolarHBondContact O-N 2.94Å; T91-K126 HydrophobicContact CG2-CB 3.99Å; T91-E127 VanDerWaalsContact CG2-CA 3.46Å; T91-E127 HydrophobicContact CG2-CB 3.98Å; T91-E127 VanDerWaalsContact CG2-N 3.34Å; T91-M130 HydrophobicContact CG2-CE 4.36Å; T91-M130 HydrophobicContact CG2-SD 4.26Å |
| 92 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A67 L70 T71 I88 G89 T90 F94 I95 C96 M130 | A67-A92 HydrophobicContact CB-CB 4.25Å; A67-A92 WeakPolarHBondContact O-CB 3.22Å; L70-A92 HydrophobicContact CB-CB 4.32Å; L70-A92 HydrophobicContact CD2-CB 4.2Å; L70-A92 HydrophobicContact CG-CB 4.28Å; T71-A92 WeakPolarHBondContact OG1-CB 3.41Å; I88-A92 WeakPolarHBondContact O-CB 3.47Å; I88-A92 PolarHBondContact O-N 2.87Å; G89-A92 PolarHBondContact O-N 3.03Å; T90-A92 VanDerWaalsContact C-N 3.3Å; T90-A92 PolarHBondContact O-N 3.2Å; A92-F94 VanDerWaalsContact C-N 3.32Å; A92-F94 PolarHBondContact O-N 3.38Å; A92-I95 PolarHBondContact O-N 3.25Å; A92-C96 WeakPolarHBondContact O-CB 3.35Å; A92-C96 PolarHBondContact O-N 3.2Å; A92-C96 PolarHBondContact O-SG 2.88Å; A92-M130 HydrophobicContact CB-CE 4.33Å; A92-M130 HydrophobicContact CB-SD 3.98Å |
| 93 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -41 | 173.5 | -74.3 | 166.9 | 0 | 0 | 0 | 111.9 | W49 M50 A53 F59 A67 G89 T90 C96 S97 F110 | W49-L93 HydrophobicContact CH2-CD1 4.47Å; W49-L93 HydrophobicContact CZ3-CD1 4.18Å; M50-L93 HydrophobicContact CB-CD1 4.24Å; M50-L93 HydrophobicContact CE-CD2 4.35Å; M50-L93 HydrophobicContact CE-CG 4.02Å; M50-L93 HydrophobicContact CG-CD1 4.06Å; A53-L93 HydrophobicContact CB-CD1 3.82Å; F59-L93 HydrophobicContact CD2-CD2 4.42Å; F59-L93 HydrophobicContact CE2-CD2 4.46Å; A67-L93 HydrophobicContact CB-CD2 3.69Å; A67-L93 HydrophobicContact CB-CG 4.03Å; G89-L93 PolarHBondContact O-N 3.44Å; T90-L93 PolarHBondContact O-N 2.92Å; L93-C96 PolarHBondContact O-N 3.42Å; L93-S97 VanDerWaalsContact O-CB 3.22Å; L93-S97 WeakPolarHBondContact O-CB 3.22Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 2.92Å; L93-F110 HydrophobicContact CB-CE1 3.56Å; L93-F110 HydrophobicContact CB-CZ 4.09Å |
| 94 | F | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | 177 | 178.6 | -120.1 | 0 | 0 | 0 | 112.3 | T90 T91 A92 S97 K98 V107 F110 L123 E127 | T90-F94 PolarHBondContact O-N 3.42Å; T91-F94 PolarHBondContact O-N 2.86Å; A92-F94 VanDerWaalsContact C-N 3.32Å; A92-F94 PolarHBondContact O-N 3.38Å; F94-S97 PolarHBondContact O-OG 3.36Å; F94-K98 HydrophobicContact CE1-CD 4.34Å; F94-K98 HydrophobicContact CE2-CD 4.06Å; F94-K98 HydrophobicContact CE2-CG 4.38Å; F94-K98 HydrophobicContact CZ-CD 3.89Å; F94-K98 WeakPolarHBondContact O-CG 3.3Å; F94-K98 PolarHBondContact O-N 2.68Å; F94-V107 HydrophobicContact CE1-CG2 4.2Å; F94-V107 HydrophobicContact CE2-CG2 4.1Å; F94-V107 HydrophobicContact CZ-CG2 3.64Å; F94-F110 HydrophobicContact CB-CD1 4.43Å; F94-F110 HydrophobicContact CB-CD2 4.01Å; F94-F110 HydrophobicContact CB-CE1 4.35Å; F94-F110 HydrophobicContact CB-CE2 3.94Å; F94-F110 HydrophobicContact CB-CG 4.26Å; F94-F110 HydrophobicContact CB-CZ 4.1Å; F94-F110 AromaticContact CD2-CD2 3.55Å; F94-F110 HydrophobicContact CD2-CD2 3.55Å; F94-F110 AromaticContact CD2-CE2 3.59Å; F94-F110 HydrophobicContact CD2-CE2 3.59Å; F94-F110 HydrophobicContact CD2-CG 4.46Å; F94-F110 HydrophobicContact CE2-CD2 4.44Å; F94-F110 HydrophobicContact CG-CD2 4.17Å; F94-F110 HydrophobicContact CG-CE2 4.25Å; F94-L123 HydrophobicContact CD1-CD2 3.58Å; F94-L123 HydrophobicContact CE1-CD2 3.87Å; F94-L123 HydrophobicContact CG-CD2 4.15Å; F94-E127 WeakPolarHBondContact CD1-OE1 3.24Å; F94-E127 VanDerWaalsContact CE1-OE1 3.32Å; F94-E127 WeakPolarHBondContact CE1-OE1 3.23Å |
| 95 | I | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -49 | 176.4 | -70.7 | 165.6 | 0 | 0 | 0 | 110.7 | L70 T91 A92 K98 F99 E127 M130 L131 I138 | L70-I95 HydrophobicContact CD2-CB 4.04Å; L70-I95 HydrophobicContact CD2-CD1 4.12Å; L70-I95 HydrophobicContact CD2-CG2 3.84Å; T91-I95 HydrophobicContact CG2-CD1 3.98Å; T91-I95 WeakPolarHBondContact O-CG1 3.44Å; T91-I95 PolarHBondContact O-N 2.94Å; A92-I95 PolarHBondContact O-N 3.25Å; I95-K98 PolarHBondContact O-N 3.44Å; I95-F99 PolarHBondContact O-N 3.36Å; I95-E127 HydrophobicContact CD1-CB 4.42Å; I95-E127 HydrophobicContact CD1-CG 4.16Å; I95-E127 HydrophobicContact CG1-CB 4.46Å; I95-E127 HydrophobicContact CG1-CG 3.96Å; I95-E127 WeakPolarHBondContact CG1-OE1 3.45Å; I95-M130 HydrophobicContact CD1-CB 4.02Å; I95-M130 HydrophobicContact CD1-CG 4.02Å; I95-M130 HydrophobicContact CD1-SD 3.74Å; I95-L131 HydrophobicContact CD1-CD2 4.23Å; I95-L131 HydrophobicContact CD1-CG 4.03Å; I95-L131 HydrophobicContact CG2-CD2 3.91Å; I95-I138 HydrophobicContact CG2-CD1 3.85Å; I95-I138 HydrophobicContact CG2-CG2 4.48Å |
| 96 | C | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -34.8 | -174.5 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | T63 Q66 A67 A92 L93 F99 D100 | T63-C96 HydrophobicContact CG2-CB 4.25Å; Q66-C96 VanDerWaalsContact C-SG 3.54Å; Q66-C96 HydrophobicContact CB-CB 4.18Å; Q66-C96 HydrophobicContact CG-CB 4.2Å; Q66-C96 VanDerWaalsContact CG-SG 3.56Å; A67-C96 VanDerWaalsContact CA-SG 3.54Å; A67-C96 HydrophobicContact CB-CB 4.12Å; A67-C96 PolarHBondContact N-SG 3.5Å; A92-C96 WeakPolarHBondContact O-CB 3.35Å; A92-C96 PolarHBondContact O-N 3.2Å; A92-C96 PolarHBondContact O-SG 2.88Å; L93-C96 PolarHBondContact O-N 3.42Å; C96-F99 WeakPolarHBondContact O-CB 3.47Å; C96-F99 PolarHBondContact O-N 2.73Å; C96-F99 VanDerWaalsContact O-N 3.08Å; C96-D100 PolarHBondContact O-N 3.14Å |
| 97 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 172.9 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | L93 F94 F99 E101 | L93-S97 VanDerWaalsContact O-CB 3.22Å; L93-S97 WeakPolarHBondContact O-CB 3.22Å; L93-S97 PolarHBondContact O-N 2.9Å; L93-S97 PolarHBondContact O-OG 2.92Å; F94-S97 PolarHBondContact O-OG 3.36Å; S97-F99 PolarHBondContact O-N 3.31Å; S97-E101 WeakPolarHBondContact O-CA 3.28Å; S97-E101 WeakPolarHBondContact O-CB 3.42Å; S97-E101 PolarHBondContact O-N 3.15Å |
| 98 | K | 97.7 | Very high | 97.6 | Very high | 96 Ų | 96 | 43.6 Ų | 43.6 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.4 | -23.2 | 173.3 | -71.6 | -170 | -62.1 | -177.7 | 0 | 114.1 | F94 I95 P104 E127 | F94-K98 HydrophobicContact CE1-CD 4.34Å; F94-K98 HydrophobicContact CE2-CD 4.06Å; F94-K98 HydrophobicContact CE2-CG 4.38Å; F94-K98 HydrophobicContact CZ-CD 3.89Å; F94-K98 WeakPolarHBondContact O-CG 3.3Å; F94-K98 PolarHBondContact O-N 2.68Å; I95-K98 PolarHBondContact O-N 3.44Å; K98-P104 HydrophobicContact CB-CB 4.45Å; K98-P104 HydrophobicContact CG-CB 3.85Å; K98-P104 HydrophobicContact CG-CG 3.98Å; K98-E127 WeakPolarHBondContact CE-OE1 3.32Å; K98-E127 IonicContact NZ-OE1 3.72Å; K98-E127 PolarHBondContact NZ-OE1 3.32Å; K98-E127 IonicContact NZ-OE2 3.55Å; K98-E127 PolarHBondContact NZ-OE2 2.75Å; K98-E127 VanDerWaalsContact NZ-OE2 3.15Å |
| 99 | F | 96.6 | Very high | 97.5 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 46% | 0.456 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -87.5 | -41.3 | -178.1 | -175.3 | -98.1 | 0 | 0 | 0 | 112.9 | I95 C96 S97 I138 | I95-F99 PolarHBondContact O-N 3.36Å; C96-F99 WeakPolarHBondContact O-CB 3.47Å; C96-F99 PolarHBondContact O-N 2.73Å; C96-F99 VanDerWaalsContact O-N 3.08Å; S97-F99 PolarHBondContact O-N 3.31Å; F99-I138 HydrophobicContact CD1-CG2 4.43Å; F99-I138 HydrophobicContact CD2-CB 4.44Å; F99-I138 HydrophobicContact CD2-CG2 4.41Å; F99-I138 HydrophobicContact CG-CG2 4.2Å |
| 100 | D | 93.2 | Very high | 97.5 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -112.4 | -23.3 | -169.5 | -149.1 | 58.9 | 0 | 0 | 0 | 113.2 | E62 C96 R145 | E62-D100 WeakPolarHBondContact CB-OD2 3.45Å; C96-D100 PolarHBondContact O-N 3.14Å; D100-R145 IonicContact OD1-NH2 2.78Å; D100-R145 PolarHBondContact OD1-NH2 2.82Å; D100-R145 IonicContact OD2-NH2 3.35Å |
| 101 | E | 97.1 | Very high | 97.4 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | trans | -87 | 145.3 | -178.6 | -59.3 | -60.5 | 153 | 0 | 0 | 113.1 | F59 N60 T63 S97 | F59-E101 WeakPolarHBondContact CA-OE1 3.28Å; F59-E101 WeakPolarHBondContact CB-OE1 3.25Å; F59-E101 HydrophobicContact CD1-CG 3.73Å; F59-E101 HydrophobicContact CE1-CG 4.2Å; F59-E101 HydrophobicContact CG-CG 4.37Å; N60-E101 WeakPolarHBondContact CB-OE1 3.47Å; N60-E101 PolarHBondContact N-OE1 2.96Å; N60-E101 VanDerWaalsContact ND2-CD 3.3Å; N60-E101 PolarHBondContact ND2-OE1 2.98Å; N60-E101 VanDerWaalsContact ND2-OE1 3.08Å; N60-E101 PolarHBondContact ND2-OE2 3.19Å; T63-E101 WeakPolarHBondContact CB-OE1 3.38Å; T63-E101 HydrophobicContact CG2-CG 4.41Å; T63-E101 PolarHBondContact OG1-OE1 2.88Å; S97-E101 WeakPolarHBondContact O-CA 3.28Å; S97-E101 WeakPolarHBondContact O-CB 3.42Å; S97-E101 PolarHBondContact O-N 3.15Å | ||
| 102 | R | 96.3 | Very high | 97.3 | Very high | 230 Ų | 230 | 54.4 Ų | 54.4 | 87% | 0.868 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -66.7 | -39.5 | 176 | -176.4 | -174.9 | 172.3 | 103.4 | -0.2 | 111.9 | ||
| 103 | L | 95.1 | Very high | 97.1 | Very high | 148 Ų | 148 | 55.7 Ų | 55.7 | 78% | 0.775 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -133.5 | 83.9 | -177.6 | -67.4 | 176.5 | 0 | 0 | 0 | 108.4 | ||
| 104 | P | 96.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 142.6 | 178.2 | 27.8 | -35.2 | 0 | 0 | 0 | 111.2 | K98 | K98-P104 HydrophobicContact CB-CB 4.45Å; K98-P104 HydrophobicContact CG-CB 3.85Å; K98-P104 HydrophobicContact CG-CG 3.98Å |
| 105 | P | 97.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 159.9 | 173.8 | -23.5 | 34.6 | 0 | 0 | 0 | 112.4 | F57 F59 D109 F110 | F57-P105 HydrophobicContact CD1-CB 4.19Å; F57-P105 HydrophobicContact CD1-CG 3.62Å; F57-P105 HydrophobicContact CE1-CB 3.94Å; F57-P105 HydrophobicContact CE1-CG 3.89Å; F57-P105 HydrophobicContact CG-CG 4.08Å; F57-P105 HydrophobicContact CZ-CB 4.46Å; F59-P105 VanDerWaalsContact CE1-CD 3.46Å; F59-P105 HydrophobicContact CE1-CG 3.63Å; F59-P105 HydrophobicContact CZ-CG 3.65Å; P105-D109 HydrophobicContact CB-CB 3.78Å; P105-F110 HydrophobicContact CB-CD2 4.25Å; P105-F110 HydrophobicContact CB-CE2 3.91Å; P105-F110 HydrophobicContact CG-CE2 4.19Å |
| 106 | T | 97.7 | Very high | 96.5 | Very high | 75 Ų | 75 | 68.6 Ų | 68.6 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 167.7 | 178 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | D108 D109 F110 | T106-D108 PolarHBondContact O-N 3.38Å; T106-D108 PolarHBondContact OG1-N 2.91Å; T106-D109 WeakPolarHBondContact CA-OD2 3.49Å; T106-D109 WeakPolarHBondContact CB-OD2 3.29Å; T106-D109 PolarHBondContact N-OD2 3.47Å; T106-D109 PolarHBondContact O-N 3.16Å; T106-D109 VanDerWaalsContact OG1-CG 3.22Å; T106-D109 PolarHBondContact OG1-N 3.14Å; T106-D109 PolarHBondContact OG1-OD2 2.89Å; T106-F110 WeakPolarHBondContact O-CD2 3.41Å; T106-F110 PolarHBondContact O-N 3.46Å |
| 107 | V | 97.7 | Very high | 96.4 | Very high | 20 Ų | 20 | 71.6 Ų | 71.6 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 173.1 | 178 | 0 | 0 | 0 | 0 | 111.1 | F94 D109 F110 L111 R120 L123 L124 | F94-V107 HydrophobicContact CE1-CG2 4.2Å; F94-V107 HydrophobicContact CE2-CG2 4.1Å; F94-V107 HydrophobicContact CZ-CG2 3.64Å; V107-D109 VanDerWaalsContact C-N 3.3Å; V107-D109 PolarHBondContact O-N 2.95Å; V107-F110 PolarHBondContact O-N 3.37Å; V107-L111 HydrophobicContact CG1-CD1 4.3Å; V107-L111 HydrophobicContact CG1-CG 4.23Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 2.93Å; V107-R120 HydrophobicContact CG1-CB 4.36Å; V107-R120 HydrophobicContact CG1-CG 4.08Å; V107-L123 HydrophobicContact CG1-CD1 4.41Å; V107-L123 HydrophobicContact CG1-CD2 4.17Å; V107-L123 HydrophobicContact CG2-CD2 4.41Å; V107-L124 HydrophobicContact CG2-CD2 4.1Å |
| 108 | D | 97.7 | Very high | 96.4 | Very high | 67 Ų | 67 | 73.2 Ų | 73.2 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.9 | -35.1 | -179.7 | -66.5 | -48.6 | 0 | 0 | 0 | 112.1 | T106 F110 L111 Y112 R120 | T106-D108 PolarHBondContact O-N 3.38Å; T106-D108 PolarHBondContact OG1-N 2.91Å; D108-F110 VanDerWaalsContact C-N 3.34Å; D108-F110 PolarHBondContact O-N 3.06Å; D108-L111 PolarHBondContact O-N 3.43Å; D108-Y112 WeakPolarHBondContact O-CB 3.41Å; D108-Y112 PolarHBondContact O-N 2.77Å; D108-R120 IonicContact OD1-CZ 2.94Å; D108-R120 IonicContact OD1-NH1 2.83Å; D108-R120 PolarHBondContact OD1-NH1 2.97Å; D108-R120 IonicContact OD1-NH2 3.97Å; D108-R120 PolarHBondContact OD1-NH2 3.14Å; D108-R120 IonicContact OD2-CZ 3.75Å; D108-R120 IonicContact OD2-NH2 3.53Å; D108-R120 PolarHBondContact OD2-NH2 3.06Å |
| 109 | D | 97.7 | Very high | 96.4 | Very high | 67 Ų | 67 | 75.4 Ų | 75.4 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.5 | -57.7 | -48.7 | 0 | 0 | 0 | 111.1 | F57 P105 T106 V107 Y112 V113 | F57-D109 HydrophobicContact CE1-CB 3.95Å; F57-D109 HydrophobicContact CZ-CB 4.21Å; P105-D109 HydrophobicContact CB-CB 3.78Å; T106-D109 WeakPolarHBondContact CA-OD2 3.49Å; T106-D109 WeakPolarHBondContact CB-OD2 3.29Å; T106-D109 PolarHBondContact N-OD2 3.47Å; T106-D109 PolarHBondContact O-N 3.16Å; T106-D109 VanDerWaalsContact OG1-CG 3.22Å; T106-D109 PolarHBondContact OG1-N 3.14Å; T106-D109 PolarHBondContact OG1-OD2 2.89Å; V107-D109 VanDerWaalsContact C-N 3.3Å; V107-D109 PolarHBondContact O-N 2.95Å; D109-Y112 WeakPolarHBondContact O-CB 3.37Å; D109-Y112 PolarHBondContact O-N 2.9Å; D109-V113 PolarHBondContact O-N 3.45Å; D109-V113 VanDerWaalsContact O-N 3.08Å |
| 110 | F | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 74.8 Ų | 74.8 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 175.4 | -84.6 | -77 | 0 | 0 | 0 | 113.2 | F57 F59 T90 L93 F94 P105 T106 V107 D108 Y112 C114 L123 | F57-F110 HydrophobicContact CD2-CE1 4.46Å; F57-F110 HydrophobicContact CE2-CD1 4.13Å; F57-F110 AromaticContact CE2-CE1 3.91Å; F57-F110 HydrophobicContact CE2-CE1 3.91Å; F57-F110 HydrophobicContact CE2-CZ 4.27Å; F59-F110 HydrophobicContact CE2-CE1 4.49Å; F59-F110 HydrophobicContact CE2-CZ 4.03Å; F59-F110 HydrophobicContact CZ-CE2 4.47Å; F59-F110 AromaticContact CZ-CZ 3.79Å; F59-F110 HydrophobicContact CZ-CZ 3.79Å; T90-F110 HydrophobicContact CG2-CB 3.93Å; T90-F110 HydrophobicContact CG2-CD1 3.71Å; T90-F110 HydrophobicContact CG2-CG 4.24Å; L93-F110 HydrophobicContact CB-CE1 3.56Å; L93-F110 HydrophobicContact CB-CZ 4.09Å; F94-F110 HydrophobicContact CB-CD1 4.43Å; F94-F110 HydrophobicContact CB-CD2 4.01Å; F94-F110 HydrophobicContact CB-CE1 4.35Å; F94-F110 HydrophobicContact CB-CE2 3.94Å; F94-F110 HydrophobicContact CB-CG 4.26Å; F94-F110 HydrophobicContact CB-CZ 4.1Å; F94-F110 AromaticContact CD2-CD2 3.55Å; F94-F110 HydrophobicContact CD2-CD2 3.55Å; F94-F110 AromaticContact CD2-CE2 3.59Å; F94-F110 HydrophobicContact CD2-CE2 3.59Å; F94-F110 HydrophobicContact CD2-CG 4.46Å; F94-F110 HydrophobicContact CE2-CD2 4.44Å; F94-F110 HydrophobicContact CG-CD2 4.17Å; F94-F110 HydrophobicContact CG-CE2 4.25Å; P105-F110 HydrophobicContact CB-CD2 4.25Å; P105-F110 HydrophobicContact CB-CE2 3.91Å; P105-F110 HydrophobicContact CG-CE2 4.19Å; T106-F110 WeakPolarHBondContact O-CD2 3.41Å; T106-F110 PolarHBondContact O-N 3.46Å; V107-F110 PolarHBondContact O-N 3.37Å; D108-F110 VanDerWaalsContact C-N 3.34Å; D108-F110 PolarHBondContact O-N 3.06Å; F110-Y112 VanDerWaalsContact C-N 3.32Å; F110-C114 PolarHBondContact O-N 3.32Å; F110-C114 PolarHBondContact O-SG 3.03Å; F110-L123 HydrophobicContact CB-CD1 3.97Å |
| 111 | L | 97.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 78.2 Ų | 78.2 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 172.8 | -65.4 | -177.5 | 0 | 0 | 0 | 111 | V107 D108 C114 D115 Y116 Y118 R120 L123 | V107-L111 HydrophobicContact CG1-CD1 4.3Å; V107-L111 HydrophobicContact CG1-CG 4.23Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 2.93Å; D108-L111 PolarHBondContact O-N 3.43Å; L111-C114 CarbonylContact O-C 3.6Å; L111-C114 PolarHBondContact O-N 2.94Å; L111-D115 PolarHBondContact O-N 3.48Å; L111-Y116 HydrophobicContact CB-CD1 3.8Å; L111-Y116 HydrophobicContact CB-CE1 3.96Å; L111-Y116 WeakPolarHBondContact O-CA 2.98Å; L111-Y116 PolarHBondContact O-N 3.5Å; L111-Y118 WeakPolarHBondContact CD2-O 3.43Å; L111-R120 HydrophobicContact CD1-CB 4.08Å; L111-L123 HydrophobicContact CD2-CD1 4.21Å |
| 112 | Y | 96.6 | Very high | 96.7 | Very high | 151 Ų | 151 | 80.4 Ų | 80.4 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 176.2 | 175.8 | -95.1 | 0 | 0 | 0 | 112.2 | D108 D109 F110 C114 D115 Y116 | D108-Y112 WeakPolarHBondContact O-CB 3.41Å; D108-Y112 PolarHBondContact O-N 2.77Å; D109-Y112 WeakPolarHBondContact O-CB 3.37Å; D109-Y112 PolarHBondContact O-N 2.9Å; F110-Y112 VanDerWaalsContact C-N 3.32Å; Y112-C114 PolarHBondContact O-N 3.15Å; Y112-C114 VanDerWaalsContact O-N 3.15Å; Y112-D115 PolarHBondContact O-N 3.44Å; Y112-Y116 AromaticContact CD2-CE2 3.88Å; Y112-Y116 HydrophobicContact CD2-CE2 3.88Å |
| 113 | V | 94.6 | Very high | 96.9 | Very high | 28 Ų | 28 | 69.4 Ų | 69.4 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -16 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | W49 A53 F57 D109 | W49-V113 HydrophobicContact CZ2-CG1 3.88Å; A53-V113 HydrophobicContact CB-CG1 4.11Å; F57-V113 HydrophobicContact CE1-CG2 4.18Å; F57-V113 HydrophobicContact CE2-CB 4.17Å; F57-V113 HydrophobicContact CE2-CG1 4.29Å; F57-V113 HydrophobicContact CE2-CG2 3.68Å; F57-V113 HydrophobicContact CZ-CB 4.14Å; F57-V113 HydrophobicContact CZ-CG2 3.38Å; D109-V113 PolarHBondContact O-N 3.45Å; D109-V113 VanDerWaalsContact O-N 3.08Å |
| 114 | C | 92.9 | Very high | 97 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.02 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 18.2 | 171.4 | -54.9 | 0 | 0 | 0 | 0 | 113 | T90 F110 L111 Y112 Y116 A117 Y118 | T90-C114 WeakPolarHBondContact CG2-SG 3.11Å; T90-C114 PolarHBondContact OG1-SG 2.59Å; F110-C114 PolarHBondContact O-N 3.32Å; F110-C114 PolarHBondContact O-SG 3.03Å; L111-C114 CarbonylContact O-C 3.6Å; L111-C114 PolarHBondContact O-N 2.94Å; Y112-C114 PolarHBondContact O-N 3.15Å; Y112-C114 VanDerWaalsContact O-N 3.15Å; C114-Y116 PolarHBondContact O-N 3.35Å; C114-Y116 VanDerWaalsContact O-N 3.11Å; C114-A117 WeakPolarHBondContact O-CB 3.43Å; C114-A117 PolarHBondContact O-N 2.82Å; C114-Y118 HydrophobicContact CB-CD2 4.11Å; C114-Y118 HydrophobicContact CB-CE2 4.38Å |
| 115 | D | 95 | Very high | 97.1 | Very high | 146 Ų | 146 | 67.2 Ų | 67.2 | 78% | 0.781 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 33.6 | -176.4 | -64.2 | -43.4 | 0 | 0 | 0 | 113.7 | L111 Y112 A117 | L111-D115 PolarHBondContact O-N 3.48Å; Y112-D115 PolarHBondContact O-N 3.44Å; D115-A117 PolarHBondContact O-N 3.03Å; D115-A117 VanDerWaalsContact O-N 3.1Å |
| 116 | Y | 95.3 | Very high | 97.2 | Very high | 141 Ų | 141 | 67.5 Ų | 67.5 | 55% | 0.553 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 29 | -174.6 | -58.8 | -81.1 | 0 | 0 | 0 | 114.1 | L111 Y112 C114 Y118 | L111-Y116 HydrophobicContact CB-CD1 3.8Å; L111-Y116 HydrophobicContact CB-CE1 3.96Å; L111-Y116 WeakPolarHBondContact O-CA 2.98Å; L111-Y116 PolarHBondContact O-N 3.5Å; Y112-Y116 AromaticContact CD2-CE2 3.88Å; Y112-Y116 HydrophobicContact CD2-CE2 3.88Å; C114-Y116 PolarHBondContact O-N 3.35Å; C114-Y116 VanDerWaalsContact O-N 3.11Å; Y116-Y118 PolarHBondContact O-N 2.91Å; Y116-Y118 VanDerWaalsContact O-N 3.1Å |
| 117 | A | 96.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 65 Ų | 65 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | trans | -61.9 | -16.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C114 D115 | C114-A117 WeakPolarHBondContact O-CB 3.43Å; C114-A117 PolarHBondContact O-N 2.82Å; D115-A117 PolarHBondContact O-N 3.03Å; D115-A117 VanDerWaalsContact O-N 3.1Å | ||
| 118 | Y | 97.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 70.8 Ų | 70.8 | 13% | 0.129 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -130.6 | 156.5 | -176.7 | -52.7 | -68.5 | 0 | 0 | 0 | 111.4 | K83 Q86 L87 L111 C114 Y116 | K83-Y118 WeakPolarHBondContact O-CE1 3.29Å; K83-Y118 PolarHBondContact O-OH 3.48Å; Q86-Y118 HydrophobicContact CB-CE2 4.14Å; Q86-Y118 HydrophobicContact CG-CE2 4.34Å; L87-Y118 HydrophobicContact CB-CD1 4Å; L87-Y118 HydrophobicContact CB-CD2 4.09Å; L87-Y118 HydrophobicContact CB-CE1 3.74Å; L87-Y118 HydrophobicContact CB-CE2 3.82Å; L87-Y118 HydrophobicContact CB-CG 4.16Å; L87-Y118 HydrophobicContact CD1-CD1 4.28Å; L87-Y118 HydrophobicContact CD1-CD2 4.03Å; L87-Y118 HydrophobicContact CD1-CG 3.84Å; L87-Y118 HydrophobicContact CD2-CD1 4.05Å; L87-Y118 HydrophobicContact CD2-CE1 4.37Å; L87-Y118 HydrophobicContact CD2-CG 4.44Å; L87-Y118 HydrophobicContact CG-CD1 4.34Å; L87-Y118 HydrophobicContact CG-CG 4.37Å; L87-Y118 PolarHBondContact N-OH 3.18Å; L111-Y118 WeakPolarHBondContact CD2-O 3.43Å; C114-Y118 HydrophobicContact CB-CD2 4.11Å; C114-Y118 HydrophobicContact CB-CE2 4.38Å; Y116-Y118 PolarHBondContact O-N 2.91Å; Y116-Y118 VanDerWaalsContact O-N 3.1Å |
| 119 | K | 97.6 | Very high | 97.3 | Very high | 143 Ų | 143 | 70.9 Ų | 70.9 | 62% | 0.622 | 33% | 0.329 | S | S | * | . | trans | -87.8 | 156.7 | 172.6 | -60.3 | 178.3 | -177.1 | 177.5 | 0 | 111.3 | E121 E122 L123 | K119-E121 PolarHBondContact O-N 3.41Å; K119-E122 HydrophobicContact CB-CG 4.24Å; K119-E122 WeakPolarHBondContact CB-OE2 3.49Å; K119-E122 WeakPolarHBondContact CG-OE2 3.36Å; K119-E122 PolarHBondContact N-OE2 3.27Å; K119-E122 WeakPolarHBondContact O-CB 3.39Å; K119-E122 PolarHBondContact O-N 3.01Å; K119-E122 VanDerWaalsContact O-N 3.14Å; K119-L123 PolarHBondContact O-N 3.44Å | ||
| 120 | R | 98.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 67.7 Ų | 67.7 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -51.6 | -43.8 | 173 | 168.1 | 179.2 | -93.7 | 96.7 | -6.8 | 111.6 | V107 D108 L111 E122 L123 L124 | V107-R120 HydrophobicContact CG1-CB 4.36Å; V107-R120 HydrophobicContact CG1-CG 4.08Å; D108-R120 IonicContact OD1-CZ 2.94Å; D108-R120 IonicContact OD1-NH1 2.83Å; D108-R120 PolarHBondContact OD1-NH1 2.97Å; D108-R120 IonicContact OD1-NH2 3.97Å; D108-R120 PolarHBondContact OD1-NH2 3.14Å; D108-R120 IonicContact OD2-CZ 3.75Å; D108-R120 IonicContact OD2-NH2 3.53Å; D108-R120 PolarHBondContact OD2-NH2 3.06Å; L111-R120 HydrophobicContact CD1-CB 4.08Å; R120-E122 VanDerWaalsContact C-N 3.32Å; R120-E122 PolarHBondContact O-N 3.42Å; R120-L123 PolarHBondContact O-N 3.04Å; R120-L124 HydrophobicContact CG-CD1 3.95Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.18Å |
| 121 | E | 98.2 | Very high | 97.4 | Very high | 119 Ų | 119 | 68.8 Ų | 68.8 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | -177 | -64.3 | 67.6 | -145.1 | 0 | 0 | 111.7 | K119 L124 E125 | K119-E121 PolarHBondContact O-N 3.41Å; E121-L124 PolarHBondContact O-N 3.21Å; E121-E125 VanDerWaalsContact O-CB 3.27Å; E121-E125 WeakPolarHBondContact O-CB 3.4Å; E121-E125 PolarHBondContact O-N 3.19Å |
| 122 | E | 98.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 72.2 Ų | 72.2 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 178.2 | -64.9 | 175.8 | 99.7 | 0 | 0 | 110.9 | L87 K119 R120 E125 K126 | L87-E122 HydrophobicContact CD2-CB 4.05Å; K119-E122 HydrophobicContact CB-CG 4.24Å; K119-E122 WeakPolarHBondContact CB-OE2 3.49Å; K119-E122 WeakPolarHBondContact CG-OE2 3.36Å; K119-E122 PolarHBondContact N-OE2 3.27Å; K119-E122 WeakPolarHBondContact O-CB 3.39Å; K119-E122 PolarHBondContact O-N 3.01Å; K119-E122 VanDerWaalsContact O-N 3.14Å; R120-E122 VanDerWaalsContact C-N 3.32Å; R120-E122 PolarHBondContact O-N 3.42Å; E122-E125 PolarHBondContact O-N 3.17Å; E122-K126 WeakPolarHBondContact O-CB 3.43Å; E122-K126 WeakPolarHBondContact O-CG 3.38Å; E122-K126 PolarHBondContact O-N 3.07Å |
| 123 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.3 | -173.1 | 153.7 | 0 | 0 | 0 | 111.5 | L87 T90 F94 V107 F110 L111 K119 R120 E125 K126 E127 | L87-L123 HydrophobicContact CD1-CB 4.16Å; T90-L123 HydrophobicContact CG2-CD1 4.01Å; F94-L123 HydrophobicContact CD1-CD2 3.58Å; F94-L123 HydrophobicContact CE1-CD2 3.87Å; F94-L123 HydrophobicContact CG-CD2 4.15Å; V107-L123 HydrophobicContact CG1-CD1 4.41Å; V107-L123 HydrophobicContact CG1-CD2 4.17Å; V107-L123 HydrophobicContact CG2-CD2 4.41Å; F110-L123 HydrophobicContact CB-CD1 3.97Å; L111-L123 HydrophobicContact CD2-CD1 4.21Å; K119-L123 PolarHBondContact O-N 3.44Å; R120-L123 PolarHBondContact O-N 3.04Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 2.67Å; L123-K126 PolarHBondContact O-N 3.35Å; L123-E127 WeakPolarHBondContact O-CB 3.42Å; L123-E127 PolarHBondContact O-N 3.25Å |
| 124 | L | 98.5 | Very high | 97.6 | Very high | 52 Ų | 52 | 65.7 Ų | 65.7 | 27% | 0.272 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 178.8 | -66.6 | 177.8 | 0 | 0 | 0 | 112.6 | V107 R120 E121 R128 | V107-L124 HydrophobicContact CG2-CD2 4.1Å; R120-L124 HydrophobicContact CG-CD1 3.95Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.18Å; E121-L124 PolarHBondContact O-N 3.21Å; L124-R128 PolarHBondContact O-N 3.22Å; L124-R128 PolarHBondContact O-NH1 3.38Å |
| 125 | E | 98.5 | Very high | 97.8 | Very high | 103 Ų | 103 | 71.1 Ų | 71.1 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 173.7 | -174.7 | -179.4 | 168.5 | 0 | 0 | 111.6 | E121 E122 L123 E127 R128 M129 | E121-E125 VanDerWaalsContact O-CB 3.27Å; E121-E125 WeakPolarHBondContact O-CB 3.4Å; E121-E125 PolarHBondContact O-N 3.19Å; E122-E125 PolarHBondContact O-N 3.17Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 2.67Å; E125-E127 VanDerWaalsContact C-N 3.26Å; E125-E127 PolarHBondContact O-N 2.78Å; E125-R128 PolarHBondContact O-N 3.33Å; E125-M129 PolarHBondContact O-N 3.03Å |
| 126 | K | 98.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.2 | -70.5 | -55.9 | -174.5 | -177.9 | 0 | 111.9 | E84 L87 I88 T91 E122 L123 M129 M130 | E84-K126 WeakPolarHBondContact OE1-CE 3.2Å; E84-K126 IonicContact OE1-NZ 3.78Å; E84-K126 PolarHBondContact OE1-NZ 3.42Å; L87-K126 HydrophobicContact CD2-CG 3.59Å; L87-K126 HydrophobicContact CG-CB 4.49Å; L87-K126 HydrophobicContact CG-CG 3.89Å; I88-K126 HydrophobicContact CD1-CD 4.06Å; I88-K126 HydrophobicContact CD1-CG 4.45Å; T91-K126 HydrophobicContact CG2-CB 3.99Å; E122-K126 WeakPolarHBondContact O-CB 3.43Å; E122-K126 WeakPolarHBondContact O-CG 3.38Å; E122-K126 PolarHBondContact O-N 3.07Å; L123-K126 PolarHBondContact O-N 3.35Å; K126-M129 HydrophobicContact CD-SD 4.46Å; K126-M129 PolarHBondContact O-N 3.22Å; K126-M130 VanDerWaalsContact O-CB 3.24Å; K126-M130 WeakPolarHBondContact O-CB 3.45Å; K126-M130 PolarHBondContact O-N 2.51Å |
| 127 | E | 98.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 69.9 Ų | 69.9 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.4 | -53.1 | 173.9 | 165.1 | 165.8 | -102.9 | 0 | 0 | 111.6 | T91 F94 I95 K98 L123 E125 M129 M130 L131 | T91-E127 VanDerWaalsContact CG2-CA 3.46Å; T91-E127 HydrophobicContact CG2-CB 3.98Å; T91-E127 VanDerWaalsContact CG2-N 3.34Å; F94-E127 WeakPolarHBondContact CD1-OE1 3.24Å; F94-E127 VanDerWaalsContact CE1-OE1 3.32Å; F94-E127 WeakPolarHBondContact CE1-OE1 3.23Å; I95-E127 HydrophobicContact CD1-CB 4.42Å; I95-E127 HydrophobicContact CD1-CG 4.16Å; I95-E127 HydrophobicContact CG1-CB 4.46Å; I95-E127 HydrophobicContact CG1-CG 3.96Å; I95-E127 WeakPolarHBondContact CG1-OE1 3.45Å; K98-E127 WeakPolarHBondContact CE-OE1 3.32Å; K98-E127 IonicContact NZ-OE1 3.72Å; K98-E127 PolarHBondContact NZ-OE1 3.32Å; K98-E127 IonicContact NZ-OE2 3.55Å; K98-E127 PolarHBondContact NZ-OE2 2.75Å; K98-E127 VanDerWaalsContact NZ-OE2 3.15Å; L123-E127 WeakPolarHBondContact O-CB 3.42Å; L123-E127 PolarHBondContact O-N 3.25Å; E125-E127 VanDerWaalsContact C-N 3.26Å; E125-E127 PolarHBondContact O-N 2.78Å; E127-M129 VanDerWaalsContact C-N 3.28Å; E127-M129 PolarHBondContact O-N 3.24Å; E127-M130 PolarHBondContact O-N 3.29Å; E127-L131 HydrophobicContact CG-CD1 3.91Å; E127-L131 WeakPolarHBondContact O-CB 3.28Å; E127-L131 WeakPolarHBondContact O-CG 3.4Å; E127-L131 PolarHBondContact O-N 3.13Å |
| 128 | R | 98.6 | Very high | 97.7 | Very high | 141 Ų | 141 | 67.9 Ų | 67.9 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 179.2 | -69.5 | -174.6 | -63.7 | -84.9 | 3.6 | 111.4 | L124 E125 T132 | L124-R128 PolarHBondContact O-N 3.22Å; L124-R128 PolarHBondContact O-NH1 3.38Å; E125-R128 PolarHBondContact O-N 3.33Å; R128-T132 WeakPolarHBondContact O-CB 3.49Å; R128-T132 PolarHBondContact O-N 2.99Å; R128-T132 PolarHBondContact O-OG1 2.83Å |
| 129 | M | 98.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 67.7 Ų | 67.7 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 179.3 | -171.8 | -179.2 | -66.6 | 0 | 0 | 111.4 | Y74 E125 K126 E127 T132 V133 | Y74-M129 HydrophobicContact CE2-CG 4.19Å; Y74-M129 PolarHBondContact OH-SD 3.48Å; E125-M129 PolarHBondContact O-N 3.03Å; K126-M129 HydrophobicContact CD-SD 4.46Å; K126-M129 PolarHBondContact O-N 3.22Å; E127-M129 VanDerWaalsContact C-N 3.28Å; E127-M129 PolarHBondContact O-N 3.24Å; M129-T132 WeakPolarHBondContact O-CB 3.37Å; M129-T132 PolarHBondContact O-N 3.07Å; M129-V133 VanDerWaalsContact O-CG2 3.28Å; M129-V133 WeakPolarHBondContact O-CG2 3.23Å; M129-V133 PolarHBondContact O-N 2.75Å |
| 130 | M | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | -178.7 | -175.5 | 173.4 | -72.9 | 0 | 0 | 111.6 | L70 Y74 I88 T91 A92 I95 K126 E127 T132 V133 V134 | L70-M130 HydrophobicContact CD1-CG 3.9Å; L70-M130 HydrophobicContact CD1-SD 4.16Å; L70-M130 HydrophobicContact CD2-CG 4.22Å; L70-M130 HydrophobicContact CD2-SD 3.61Å; L70-M130 HydrophobicContact CG-CG 4Å; L70-M130 HydrophobicContact CG-SD 3.55Å; L70-M130 VanDerWaalsContact CG-SD 3.55Å; Y74-M130 HydrophobicContact CD1-CE 4.34Å; Y74-M130 HydrophobicContact CD2-CB 3.97Å; Y74-M130 HydrophobicContact CD2-CE 4.25Å; Y74-M130 HydrophobicContact CD2-CG 3.89Å; Y74-M130 HydrophobicContact CE2-CB 4.16Å; Y74-M130 HydrophobicContact CG-CE 4.01Å; Y74-M130 HydrophobicContact CG-CG 4.36Å; I88-M130 HydrophobicContact CB-CE 4.44Å; I88-M130 HydrophobicContact CD1-CE 4.34Å; I88-M130 HydrophobicContact CG2-CE 3.64Å; I88-M130 WeakPolarHBondContact O-CE 3.42Å; T91-M130 HydrophobicContact CG2-CE 4.36Å; T91-M130 HydrophobicContact CG2-SD 4.26Å; A92-M130 HydrophobicContact CB-CE 4.33Å; A92-M130 HydrophobicContact CB-SD 3.98Å; I95-M130 HydrophobicContact CD1-CB 4.02Å; I95-M130 HydrophobicContact CD1-CG 4.02Å; I95-M130 HydrophobicContact CD1-SD 3.74Å; K126-M130 VanDerWaalsContact O-CB 3.24Å; K126-M130 WeakPolarHBondContact O-CB 3.45Å; K126-M130 PolarHBondContact O-N 2.51Å; E127-M130 PolarHBondContact O-N 3.29Å; M130-T132 VanDerWaalsContact C-N 3.3Å; M130-T132 PolarHBondContact O-N 3.25Å; M130-V133 PolarHBondContact O-N 3.15Å; M130-V134 WeakPolarHBondContact O-CG2 3.42Å; M130-V134 PolarHBondContact O-N 3.36Å; M130-V134 VanDerWaalsContact O-N 3.16Å |
| 131 | L | 98.6 | Very high | 97.1 | Very high | 24 Ų | 24 | 56.7 Ų | 56.7 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -40.9 | 174.8 | -70.4 | 174.1 | 0 | 0 | 0 | 112.2 | I95 E127 V134 N135 F136 I138 | I95-L131 HydrophobicContact CD1-CD2 4.23Å; I95-L131 HydrophobicContact CD1-CG 4.03Å; I95-L131 HydrophobicContact CG2-CD2 3.91Å; E127-L131 HydrophobicContact CG-CD1 3.91Å; E127-L131 WeakPolarHBondContact O-CB 3.28Å; E127-L131 WeakPolarHBondContact O-CG 3.4Å; E127-L131 PolarHBondContact O-N 3.13Å; L131-V134 PolarHBondContact O-N 3.28Å; L131-N135 PolarHBondContact O-N 3.21Å; L131-N135 VanDerWaalsContact O-N 3.13Å; L131-F136 HydrophobicContact CB-CD1 3.98Å; L131-F136 HydrophobicContact CB-CE1 3.75Å; L131-F136 HydrophobicContact CB-CE2 4.46Å; L131-F136 HydrophobicContact CB-CG 4.44Å; L131-F136 HydrophobicContact CB-CZ 4Å; L131-F136 HydrophobicContact CD1-CD1 4.4Å; L131-F136 HydrophobicContact CD1-CE1 4.01Å; L131-F136 HydrophobicContact CD2-CD1 4.48Å; L131-F136 HydrophobicContact CG-CE1 4.41Å; L131-F136 PolarHBondContact O-N 2.89Å; L131-I138 HydrophobicContact CD2-CD1 3.37Å; L131-I138 HydrophobicContact CD2-CG1 4.03Å |
| 132 | T | 98.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 51 Ų | 51 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | R128 M129 M130 V134 N135 | R128-T132 WeakPolarHBondContact O-CB 3.49Å; R128-T132 PolarHBondContact O-N 2.99Å; R128-T132 PolarHBondContact O-OG1 2.83Å; M129-T132 WeakPolarHBondContact O-CB 3.37Å; M129-T132 PolarHBondContact O-N 3.07Å; M130-T132 VanDerWaalsContact C-N 3.3Å; M130-T132 PolarHBondContact O-N 3.25Å; T132-V134 VanDerWaalsContact C-N 3.28Å; T132-V134 PolarHBondContact O-N 3.39Å; T132-N135 PolarHBondContact O-N 2.84Å; T132-N135 PolarHBondContact O-OD1 3.33Å |
| 133 | V | 97.7 | Very high | 97 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -32.7 | -179.8 | 167.4 | 0 | 0 | 0 | 0 | 112.8 | Y74 K77 V78 M129 M130 | Y74-V133 HydrophobicContact CD2-CB 4.03Å; Y74-V133 HydrophobicContact CD2-CG1 4.01Å; Y74-V133 HydrophobicContact CD2-CG2 4.18Å; Y74-V133 HydrophobicContact CE2-CB 4.32Å; Y74-V133 HydrophobicContact CE2-CG2 3.97Å; K77-V133 HydrophobicContact CB-CG1 3.99Å; K77-V133 HydrophobicContact CD-CG1 3.71Å; K77-V133 HydrophobicContact CG-CG1 4.48Å; K77-V133 PolarHBondContact NZ-O 2.6Å; V78-V133 HydrophobicContact CG2-CG1 4.12Å; V78-V133 HydrophobicContact CG2-CG2 3.76Å; M129-V133 VanDerWaalsContact O-CG2 3.28Å; M129-V133 WeakPolarHBondContact O-CG2 3.23Å; M129-V133 PolarHBondContact O-N 2.75Å; M130-V133 PolarHBondContact O-N 3.15Å |
| 134 | V | 96.4 | Very high | 97 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 8.7 | 174.7 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | L70 L73 M130 L131 T132 F136 K137 | L70-V134 HydrophobicContact CD1-CB 4.45Å; L70-V134 HydrophobicContact CD1-CG1 3.69Å; L70-V134 HydrophobicContact CD1-CG2 4.06Å; L73-V134 HydrophobicContact CB-CG1 4.25Å; M130-V134 WeakPolarHBondContact O-CG2 3.42Å; M130-V134 PolarHBondContact O-N 3.36Å; M130-V134 VanDerWaalsContact O-N 3.16Å; L131-V134 PolarHBondContact O-N 3.28Å; T132-V134 VanDerWaalsContact C-N 3.28Å; T132-V134 PolarHBondContact O-N 3.39Å; V134-F136 PolarHBondContact O-N 3.23Å; V134-K137 WeakPolarHBondContact O-CB 3.38Å; V134-K137 PolarHBondContact O-N 3.08Å; V134-K137 VanDerWaalsContact O-N 3.09Å |
| 135 | N | 96.9 | Very high | 97 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 39 | -177.8 | -60.4 | -50.6 | 0 | 0 | 0 | 112.9 | L131 T132 K137 | L131-N135 PolarHBondContact O-N 3.21Å; L131-N135 VanDerWaalsContact O-N 3.13Å; T132-N135 PolarHBondContact O-N 2.84Å; T132-N135 PolarHBondContact O-OD1 3.33Å; N135-K137 PolarHBondContact O-N 3.49Å |
| 136 | F | 97.1 | Very high | 96.9 | Very high | 139 Ų | 139 | 42.4 Ų | 42.4 | 61% | 0.61 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 16.3 | -177.7 | -64.8 | -100.1 | 0 | 0 | 0 | 114.6 | L131 V134 I138 | L131-F136 HydrophobicContact CB-CD1 3.98Å; L131-F136 HydrophobicContact CB-CE1 3.75Å; L131-F136 HydrophobicContact CB-CE2 4.46Å; L131-F136 HydrophobicContact CB-CG 4.44Å; L131-F136 HydrophobicContact CB-CZ 4Å; L131-F136 HydrophobicContact CD1-CD1 4.4Å; L131-F136 HydrophobicContact CD1-CE1 4.01Å; L131-F136 HydrophobicContact CD2-CD1 4.48Å; L131-F136 HydrophobicContact CG-CE1 4.41Å; L131-F136 PolarHBondContact O-N 2.89Å; V134-F136 PolarHBondContact O-N 3.23Å; F136-I138 PolarHBondContact O-N 3.28Å |
| 137 | K | 95.4 | Very high | 96.9 | Very high | 121 Ų | 121 | 41.1 Ų | 41.1 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | trans | -87.1 | 106.5 | 171.7 | -60.2 | -176.1 | -175.9 | -178.4 | 0 | 107.9 | F26 V134 N135 F140 | F26-K137 HydrophobicContact CE1-CB 3.91Å; F26-K137 HydrophobicContact CE1-CD 4.42Å; F26-K137 HydrophobicContact CZ-CB 4.02Å; F26-K137 HydrophobicContact CZ-CD 4.27Å; V134-K137 WeakPolarHBondContact O-CB 3.38Å; V134-K137 PolarHBondContact O-N 3.08Å; V134-K137 VanDerWaalsContact O-N 3.09Å; N135-K137 PolarHBondContact O-N 3.49Å; K137-F140 WeakPolarHBondContact O-CE1 3.49Å; K137-F140 WeakPolarHBondContact O-CZ 3.45Å | ||
| 138 | I | 93.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 43 Ų | 43 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | trans | -114.5 | -18.3 | -178.1 | -48.8 | 171.2 | 0 | 0 | 0 | 111.9 | Q66 I95 F99 L131 F136 F140 | Q66-I138 HydrophobicContact CG-CG2 4.43Å; Q66-I138 PolarHBondContact NE2-O 3.48Å; I95-I138 HydrophobicContact CG2-CD1 3.85Å; I95-I138 HydrophobicContact CG2-CG2 4.48Å; F99-I138 HydrophobicContact CD1-CG2 4.43Å; F99-I138 HydrophobicContact CD2-CB 4.44Å; F99-I138 HydrophobicContact CD2-CG2 4.41Å; F99-I138 HydrophobicContact CG-CG2 4.2Å; L131-I138 HydrophobicContact CD2-CD1 3.37Å; L131-I138 HydrophobicContact CD2-CG1 4.03Å; F136-I138 PolarHBondContact O-N 3.28Å; I138-F140 HydrophobicContact CG2-CE2 4.27Å; I138-F140 WeakPolarHBondContact O-CD2 3.5Å; I138-F140 WeakPolarHBondContact O-CE2 3.38Å; I138-F140 WeakPolarHBondContact O-CG 3.45Å; I138-F140 PolarHBondContact O-N 2.98Å | ||
| 139 | G | 91.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | trans | -74.7 | 56.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 140 | F | 93.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -67 | 146.7 | -177.7 | -44.5 | -55.6 | 0 | 0 | 0 | 112 | F26 Q66 K69 L70 L73 K137 I138 L142 | F26-F140 HydrophobicContact CB-CD1 4.44Å; F26-F140 AromaticContact CD1-CD1 3.3Å; F26-F140 HydrophobicContact CD1-CD1 3.3Å; F26-F140 AromaticContact CD1-CE1 3.6Å; F26-F140 HydrophobicContact CD1-CE1 3.6Å; F26-F140 HydrophobicContact CD1-CG 4.48Å; F26-F140 HydrophobicContact CD2-CD1 4.35Å; F26-F140 AromaticContact CE1-CD1 3.43Å; F26-F140 HydrophobicContact CE1-CD1 3.43Å; F26-F140 VanDerWaalsContact CE1-CD1 3.43Å; F26-F140 AromaticContact CE1-CE1 3.54Å; F26-F140 HydrophobicContact CE1-CE1 3.54Å; F26-F140 HydrophobicContact CE2-CD1 4.45Å; F26-F140 AromaticContact CG-CD1 3.79Å; F26-F140 HydrophobicContact CG-CD1 3.79Å; F26-F140 HydrophobicContact CZ-CD1 4.01Å; F26-F140 HydrophobicContact CZ-CE1 4.41Å; Q66-F140 HydrophobicContact CG-CD2 4.08Å; Q66-F140 HydrophobicContact CG-CE2 4.44Å; K69-F140 HydrophobicContact CB-CD2 4.37Å; K69-F140 HydrophobicContact CG-CB 4.25Å; K69-F140 HydrophobicContact CG-CD2 4.09Å; K69-F140 HydrophobicContact CG-CG 4.21Å; L70-F140 HydrophobicContact CB-CE2 4.05Å; L70-F140 HydrophobicContact CD1-CE2 4.17Å; L70-F140 HydrophobicContact CD1-CZ 4.01Å; L73-F140 HydrophobicContact CD1-CD1 3.83Å; L73-F140 HydrophobicContact CD1-CD2 4.37Å; L73-F140 HydrophobicContact CD1-CE1 3.45Å; L73-F140 VanDerWaalsContact CD1-CE1 3.45Å; L73-F140 HydrophobicContact CD1-CE2 4.09Å; L73-F140 HydrophobicContact CD1-CG 4.26Å; L73-F140 HydrophobicContact CD1-CZ 3.62Å; K137-F140 WeakPolarHBondContact O-CE1 3.49Å; K137-F140 WeakPolarHBondContact O-CZ 3.45Å; I138-F140 HydrophobicContact CG2-CE2 4.27Å; I138-F140 WeakPolarHBondContact O-CD2 3.5Å; I138-F140 WeakPolarHBondContact O-CE2 3.38Å; I138-F140 WeakPolarHBondContact O-CG 3.45Å; I138-F140 PolarHBondContact O-N 2.98Å; F140-L142 HydrophobicContact CB-CD2 4.26Å | ||
| 141 | P | 96.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | trans | -58 | 136.1 | 158.4 | -20.5 | 34 | 0 | 0 | 0 | 109.5 | Y19 Q22 E23 F26 F146 E182 | Y19-P141 HydrophobicContact CD1-CB 4.38Å; Y19-P141 HydrophobicContact CD1-CG 4.25Å; Y19-P141 HydrophobicContact CG-CB 4.49Å; Y19-P141 WeakPolarHBondContact O-CG 3.09Å; Q22-P141 HydrophobicContact CB-CG 3.81Å; E23-P141 HydrophobicContact CG-CB 3.92Å; E23-P141 HydrophobicContact CG-CG 4.12Å; F26-P141 HydrophobicContact CD2-CG 4.36Å; P141-F146 HydrophobicContact CB-CE2 3.96Å; P141-E182 WeakPolarHBondContact O-CG 3.45Å | ||
| 142 | L | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -126.8 | 132.8 | 179.9 | -56.7 | 176.7 | 0 | 0 | 0 | 109.7 | Q66 K69 F140 Y144 R145 F146 | Q66-L142 HydrophobicContact CB-CD1 4.04Å; Q66-L142 HydrophobicContact CB-CD2 4.34Å; K69-L142 HydrophobicContact CB-CD2 4.36Å; F140-L142 HydrophobicContact CB-CD2 4.26Å; L142-Y144 PolarHBondContact O-N 2.88Å; L142-R145 HydrophobicContact CB-CG 4.24Å; L142-R145 WeakPolarHBondContact O-CB 3.46Å; L142-R145 PolarHBondContact O-N 3.07Å; L142-F146 WeakPolarHBondContact O-CD2 3.37Å; L142-F146 PolarHBondContact O-N 3.37Å | ||
| 143 | S | 98 | Very high | 96 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55 | -37.3 | 176.2 | 45.8 | 0 | 0 | 0 | 0 | 112.1 | Y65 R145 F146 L147 E182 A186 | Y65-S143 WeakPolarHBondContact CE1-OG 3.45Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 3.42Å; S143-F146 PolarHBondContact O-N 3.39Å; S143-L147 WeakPolarHBondContact O-CB 3.48Å; S143-L147 PolarHBondContact O-N 3.43Å; S143-E182 VanDerWaalsContact CA-O 3.29Å; S143-E182 WeakPolarHBondContact CA-O 3.44Å; S143-E182 WeakPolarHBondContact CB-O 3.25Å; S143-E182 WeakPolarHBondContact CB-OE2 3.45Å; S143-E182 PolarHBondContact N-OE2 3.13Å; S143-E182 PolarHBondContact OG-OE2 3.5Å; S143-A186 VanDerWaalsContact O-CB 3.28Å; S143-A186 WeakPolarHBondContact O-CB 3.39Å |
| 144 | Y | 98.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -43.3 | 174.3 | -175.6 | -99.6 | 0 | 0 | 0 | 113.4 | H61 E62 Y65 L142 L147 R148 R165 | H61-Y144 HydrophobicContact CB-CD1 4.11Å; H61-Y144 HydrophobicContact CB-CD2 3.89Å; H61-Y144 HydrophobicContact CB-CE1 3.69Å; H61-Y144 HydrophobicContact CB-CE2 3.42Å; H61-Y144 VanDerWaalsContact CB-CE2 3.42Å; H61-Y144 HydrophobicContact CB-CG 4.2Å; H61-Y144 AromaticContact CD2-CZ 3.86Å; H61-Y144 PolarHBondContact CD2-OH 3.31Å; H61-Y144 VanDerWaalsContact CD2-OH 3.25Å; H61-Y144 AromaticContact CG-CE2 3.7Å; H61-Y144 AromaticContact CG-CZ 3.72Å; E62-Y144 HydrophobicContact CG-CD1 3.86Å; E62-Y144 HydrophobicContact CG-CE1 4.17Å; E62-Y144 VanDerWaalsContact OE1-CE1 3.24Å; E62-Y144 WeakPolarHBondContact OE1-CE1 3.49Å; E62-Y144 VanDerWaalsContact OE2-CE1 3.23Å; E62-Y144 WeakPolarHBondContact OE2-CE1 3.43Å; Y65-Y144 HydrophobicContact CD2-CD2 4.31Å; Y65-Y144 HydrophobicContact CD2-CG 4.23Å; Y65-Y144 AromaticContact CE2-CD2 3.82Å; Y65-Y144 HydrophobicContact CE2-CD2 3.82Å; Y65-Y144 HydrophobicContact CE2-CG 4.17Å; L142-Y144 PolarHBondContact O-N 2.88Å; Y144-L147 PolarHBondContact O-N 3.33Å; Y144-R148 HydrophobicContact CD1-CG 4.43Å; Y144-R148 HydrophobicContact CE1-CG 3.97Å; Y144-R148 VanDerWaalsContact CZ-CD 3.46Å; Y144-R148 PolarHBondContact O-N 3.08Å; Y144-R165 HydrophobicContact CD2-CG 4.18Å; Y144-R165 HydrophobicContact CE2-CG 3.78Å |
| 145 | R | 96.9 | Very high | 95.8 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 179.3 | -67.8 | -178.5 | 177.5 | -176.7 | 1.6 | 110.6 | F16 Y19 E62 D100 L142 S143 R148 R149 | F16-R145 HydrophobicContact CE1-CB 4.23Å; F16-R145 WeakPolarHBondContact CE1-O 3.15Å; F16-R145 HydrophobicContact CZ-CB 4.16Å; F16-R145 VanDerWaalsContact CZ-O 3.23Å; F16-R145 WeakPolarHBondContact CZ-O 3.41Å; Y19-R145 PolarHBondContact OH-NH1 3.18Å; E62-R145 HydrophobicContact CG-CG 4.09Å; D100-R145 IonicContact OD1-NH2 2.78Å; D100-R145 PolarHBondContact OD1-NH2 2.82Å; D100-R145 IonicContact OD2-NH2 3.35Å; L142-R145 HydrophobicContact CB-CG 4.24Å; L142-R145 WeakPolarHBondContact O-CB 3.46Å; L142-R145 PolarHBondContact O-N 3.07Å; S143-R145 VanDerWaalsContact C-N 3.32Å; S143-R145 PolarHBondContact O-N 3.42Å; R145-R148 PolarHBondContact O-N 3.36Å; R145-R149 WeakPolarHBondContact O-CB 3.47Å; R145-R149 PolarHBondContact O-N 3.26Å |
| 146 | F | 97.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 174.8 | -75.5 | -71.3 | 0 | 0 | 0 | 111.9 | F16 R20 E23 P141 L142 S143 R149 L150 E182 A186 | F16-F146 AromaticContact CD1-CD1 3.52Å; F16-F146 HydrophobicContact CD1-CD1 3.52Å; F16-F146 AromaticContact CD1-CE1 3.65Å; F16-F146 HydrophobicContact CD1-CE1 3.65Å; F16-F146 HydrophobicContact CD1-CG 4.33Å; F16-F146 AromaticContact CE1-CD1 3.83Å; F16-F146 HydrophobicContact CE1-CD1 3.83Å; F16-F146 HydrophobicContact CE1-CE1 4.28Å; F16-F146 HydrophobicContact CE1-CG 4.19Å; R20-F146 HydrophobicContact CB-CZ 4.46Å; E23-F146 HydrophobicContact CG-CE2 4.37Å; E23-F146 HydrophobicContact CG-CZ 4.4Å; P141-F146 HydrophobicContact CB-CE2 3.96Å; L142-F146 WeakPolarHBondContact O-CD2 3.37Å; L142-F146 PolarHBondContact O-N 3.37Å; S143-F146 PolarHBondContact O-N 3.39Å; F146-R149 PolarHBondContact O-N 2.93Å; F146-L150 WeakPolarHBondContact O-CB 3.44Å; F146-L150 PolarHBondContact O-N 3.19Å; F146-E182 HydrophobicContact CD2-CB 4.09Å; F146-E182 HydrophobicContact CE2-CB 4.08Å; F146-A186 HydrophobicContact CB-CB 3.53Å |
| 147 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 179.6 | 172.8 | 60.1 | 0 | 0 | 0 | 110.9 | S143 Y144 R149 L150 A151 L161 A164 R165 L168 A186 L190 | S143-L147 WeakPolarHBondContact O-CB 3.48Å; S143-L147 PolarHBondContact O-N 3.43Å; Y144-L147 PolarHBondContact O-N 3.33Å; L147-R149 VanDerWaalsContact C-N 3.29Å; L147-R149 PolarHBondContact O-N 3.36Å; L147-L150 PolarHBondContact O-N 2.88Å; L147-A151 VanDerWaalsContact O-CB 3.26Å; L147-A151 WeakPolarHBondContact O-CB 3.43Å; L147-A151 PolarHBondContact O-N 2.86Å; L147-L161 HydrophobicContact CD1-CD1 4.16Å; L147-L161 HydrophobicContact CD2-CD1 4.25Å; L147-L161 HydrophobicContact CG-CD1 3.83Å; L147-A164 HydrophobicContact CD1-CB 3.7Å; L147-A164 HydrophobicContact CD2-CB 4.07Å; L147-A164 HydrophobicContact CG-CB 4.48Å; L147-R165 HydrophobicContact CD2-CB 4.28Å; L147-L168 HydrophobicContact CB-CD2 4.1Å; L147-L168 HydrophobicContact CD2-CB 4.3Å; L147-L168 HydrophobicContact CD2-CD2 3.75Å; L147-A186 HydrophobicContact CB-CB 3.98Å; L147-L190 HydrophobicContact CD1-CB 3.8Å; L147-L190 HydrophobicContact CD1-CD1 4.16Å; L147-L190 HydrophobicContact CD1-CG 4.4Å |
| 148 | R | 97.2 | Very high | 95.9 | Very high | 63 Ų | 63 | 34 Ų | 34 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 177.9 | -75.7 | -173.2 | 63.6 | -151.1 | 1.6 | 112.3 | E62 Y144 R145 K152 | E62-R148 IonicContact OE1-CZ 3.13Å; E62-R148 IonicContact OE1-NH1 3.87Å; E62-R148 PolarHBondContact OE1-NH1 3.38Å; Y144-R148 HydrophobicContact CD1-CG 4.43Å; Y144-R148 HydrophobicContact CE1-CG 3.97Å; Y144-R148 VanDerWaalsContact CZ-CD 3.46Å; Y144-R148 PolarHBondContact O-N 3.08Å; R145-R148 PolarHBondContact O-N 3.36Å; R148-K152 VanDerWaalsContact O-CB 3.29Å; R148-K152 WeakPolarHBondContact O-CB 3.26Å; R148-K152 PolarHBondContact O-N 3.38Å |
| 149 | R | 95.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 35.7 Ų | 35.7 | 18% | 0.177 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.4 | -48.8 | 179.1 | 175 | 61.5 | 172.5 | 172.5 | 3.9 | 111.8 | A12 F16 R145 F146 L147 K152 I153 | A12-R149 VanDerWaalsContact CB-CZ 3.48Å; A12-R149 VanDerWaalsContact CB-NH1 3.26Å; F16-R149 HydrophobicContact CD1-CB 4.19Å; F16-R149 HydrophobicContact CD1-CG 4.09Å; F16-R149 HydrophobicContact CD2-CB 4.1Å; F16-R149 HydrophobicContact CD2-CG 3.6Å; F16-R149 HydrophobicContact CE1-CB 3.66Å; F16-R149 HydrophobicContact CE1-CG 4.06Å; F16-R149 HydrophobicContact CE2-CB 3.56Å; F16-R149 HydrophobicContact CE2-CG 3.57Å; F16-R149 HydrophobicContact CG-CB 4.4Å; F16-R149 HydrophobicContact CG-CG 3.89Å; F16-R149 HydrophobicContact CZ-CB 3.32Å; F16-R149 HydrophobicContact CZ-CG 3.82Å; R145-R149 WeakPolarHBondContact O-CB 3.47Å; R145-R149 PolarHBondContact O-N 3.26Å; F146-R149 PolarHBondContact O-N 2.93Å; L147-R149 VanDerWaalsContact C-N 3.29Å; L147-R149 PolarHBondContact O-N 3.36Å; R149-K152 PolarHBondContact O-N 2.93Å; R149-I153 HydrophobicContact CG-CD1 3.98Å; R149-I153 VanDerWaalsContact NE-CD1 3.27Å; R149-I153 WeakPolarHBondContact O-CG1 3.48Å; R149-I153 PolarHBondContact O-N 2.88Å |
| 150 | L | 96.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | -179.2 | -174.2 | 57.5 | 0 | 0 | 0 | 110.3 | F146 L147 K152 I153 T154 A187 L190 W201 | F146-L150 WeakPolarHBondContact O-CB 3.44Å; F146-L150 PolarHBondContact O-N 3.19Å; L147-L150 PolarHBondContact O-N 2.88Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.12Å; L150-I153 PolarHBondContact O-N 3.49Å; L150-I153 VanDerWaalsContact O-N 3.16Å; L150-T154 HydrophobicContact CD1-CG2 4.09Å; L150-T154 WeakPolarHBondContact O-CG2 3.47Å; L150-T154 PolarHBondContact O-N 3.19Å; L150-T154 PolarHBondContact O-OG1 3.23Å; L150-T154 VanDerWaalsContact O-OG1 3.12Å; L150-A187 HydrophobicContact CD2-CB 4.17Å; L150-L190 HydrophobicContact CB-CD2 4.14Å; L150-L190 HydrophobicContact CD2-CD2 3.65Å; L150-L190 HydrophobicContact CG-CD2 3.59Å; L150-W201 HydrophobicContact CD2-CH2 4.06Å |
| 151 | A | 97.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L147 G155 T156 L161 | L147-A151 VanDerWaalsContact O-CB 3.26Å; L147-A151 WeakPolarHBondContact O-CB 3.43Å; L147-A151 PolarHBondContact O-N 2.86Å; A151-G155 PolarHBondContact O-N 3.01Å; A151-T156 HydrophobicContact CB-CG2 4.25Å; A151-T156 WeakPolarHBondContact O-CB 3.27Å; A151-T156 PolarHBondContact O-N 3.21Å; A151-L161 HydrophobicContact CB-CB 4.39Å; A151-L161 HydrophobicContact CB-CD1 3.63Å; A151-L161 HydrophobicContact CB-CD2 4.15Å; A151-L161 HydrophobicContact CB-CG 4.26Å |
| 152 | K | 94.6 | Very high | 96.8 | Very high | 139 Ų | 139 | 35.5 Ų | 35.5 | 60% | 0.604 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.9 | -42 | 176.8 | -177.5 | 176.3 | -179.3 | 179.3 | 0 | 112.1 | R148 R149 L150 | R148-K152 VanDerWaalsContact O-CB 3.29Å; R148-K152 WeakPolarHBondContact O-CB 3.26Å; R148-K152 PolarHBondContact O-N 3.38Å; R149-K152 PolarHBondContact O-N 2.93Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.12Å |
| 153 | I | 92 | Very high | 96.8 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.3 | -40.3 | -179.2 | -68 | 163.3 | 0 | 0 | 0 | 111 | R149 L150 G155 Y208 | R149-I153 HydrophobicContact CG-CD1 3.98Å; R149-I153 VanDerWaalsContact NE-CD1 3.27Å; R149-I153 WeakPolarHBondContact O-CG1 3.48Å; R149-I153 PolarHBondContact O-N 2.88Å; L150-I153 PolarHBondContact O-N 3.49Å; L150-I153 VanDerWaalsContact O-N 3.16Å; I153-G155 PolarHBondContact O-N 3.01Å; I153-Y208 HydrophobicContact CD1-CD1 3.79Å; I153-Y208 HydrophobicContact CD1-CE1 4.41Å; I153-Y208 HydrophobicContact CD1-CG 3.93Å; I153-Y208 HydrophobicContact CG2-CD1 4.29Å; I153-Y208 HydrophobicContact CG2-CD2 3.42Å; I153-Y208 VanDerWaalsContact CG2-CD2 3.42Å; I153-Y208 HydrophobicContact CG2-CE1 4.46Å; I153-Y208 HydrophobicContact CG2-CE2 3.65Å; I153-Y208 HydrophobicContact CG2-CG 3.79Å |
| 154 | T | 94.4 | Very high | 96.9 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 18% | 0.184 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.5 | -176.8 | 64 | 0 | 0 | 0 | 0 | 113.4 | L150 T156 D204 H205 | L150-T154 HydrophobicContact CD1-CG2 4.09Å; L150-T154 WeakPolarHBondContact O-CG2 3.47Å; L150-T154 PolarHBondContact O-N 3.19Å; L150-T154 PolarHBondContact O-OG1 3.23Å; L150-T154 VanDerWaalsContact O-OG1 3.12Å; T154-T156 PolarHBondContact O-N 2.9Å; T154-T156 PolarHBondContact OG1-OG1 3.19Å; T154-D204 HydrophobicContact CG2-CB 4.44Å; T154-H205 WeakPolarHBondContact CB-NE2 3.17Å; T154-H205 HydrophobicContact CG2-CB 4.42Å; T154-H205 PolarHBondContact OG1-NE2 3.45Å |
| 155 | G | 94.9 | Very high | 96.9 | Very high | 67 Ų | 67 | 36.4 Ų | 36.4 | 69% | 0.691 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 29.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A151 I153 S157 | A151-G155 PolarHBondContact O-N 3.01Å; I153-G155 PolarHBondContact O-N 3.01Å; G155-S157 PolarHBondContact O-N 3.3Å |
| 156 | T | 96.6 | Very high | 96.9 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | trans | -63.6 | 132.4 | -179.4 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | A151 T154 T160 L161 L190 | A151-T156 HydrophobicContact CB-CG2 4.25Å; A151-T156 WeakPolarHBondContact O-CB 3.27Å; A151-T156 PolarHBondContact O-N 3.21Å; T154-T156 PolarHBondContact O-N 2.9Å; T154-T156 PolarHBondContact OG1-OG1 3.19Å; T156-T160 HydrophobicContact CG2-CG2 3.72Å; T156-L161 HydrophobicContact CG2-CB 4.3Å; T156-L190 HydrophobicContact CG2-CD1 3.91Å | ||
| 157 | S | 96.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 42% | 0.42 | 19% | 0.19 | S | C | . | . | trans | -61.7 | 154.5 | 177.7 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | G155 V159 T160 L161 | G155-S157 PolarHBondContact O-N 3.3Å; S157-V159 PolarHBondContact O-N 3.39Å; S157-T160 PolarHBondContact O-N 3.38Å; S157-T160 PolarHBondContact OG-N 3.21Å; S157-T160 PolarHBondContact OG-OG1 3.41Å; S157-T160 VanDerWaalsContact OG-OG1 3.05Å; S157-L161 WeakPolarHBondContact O-CB 3.24Å; S157-L161 PolarHBondContact O-N 2.93Å | ||
| 158 | M | 96.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 34.6 Ų | 34.6 | 57% | 0.567 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -59.3 | -36.4 | 179.4 | -170.4 | 62 | 73.1 | 0 | 0 | 112.5 | L161 T162 F249 | M158-L161 PolarHBondContact O-N 3.06Å; M158-L161 HydrophobicContact SD-CD2 4.46Å; M158-T162 WeakPolarHBondContact O-CB 2.99Å; M158-T162 PolarHBondContact O-N 3.3Å; M158-T162 PolarHBondContact O-OG1 2.7Å; M158-F249 HydrophobicContact CB-CZ 4.46Å; M158-F249 HydrophobicContact CG-CE2 3.81Å; M158-F249 HydrophobicContact CG-CZ 3.95Å |
| 159 | V | 97.9 | Very high | 97 | Very high | 57 Ų | 57 | 31.6 Ų | 31.6 | 35% | 0.345 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.7 | -46.5 | 179.2 | -175 | 0 | 0 | 0 | 0 | 110.7 | S157 L161 T162 L163 F249 V251 | S157-V159 PolarHBondContact O-N 3.39Å; V159-L161 PolarHBondContact O-N 2.96Å; V159-T162 PolarHBondContact O-N 2.86Å; V159-L163 PolarHBondContact O-N 3.11Å; V159-F249 HydrophobicContact CG1-CB 4.19Å; V159-F249 HydrophobicContact CG1-CG 4.39Å; V159-F249 HydrophobicContact CG2-CD1 3.86Å; V159-F249 HydrophobicContact CG2-CD2 4.24Å; V159-F249 HydrophobicContact CG2-CE1 4.08Å; V159-F249 HydrophobicContact CG2-CE2 4.46Å; V159-F249 HydrophobicContact CG2-CG 3.95Å; V159-F249 HydrophobicContact CG2-CZ 4.38Å; V159-V251 HydrophobicContact CG1-CG1 4.45Å |
| 160 | T | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | T156 S157 T162 L163 A164 A193 H197 I199 | T156-T160 HydrophobicContact CG2-CG2 3.72Å; S157-T160 PolarHBondContact O-N 3.38Å; S157-T160 PolarHBondContact OG-N 3.21Å; S157-T160 PolarHBondContact OG-OG1 3.41Å; S157-T160 VanDerWaalsContact OG-OG1 3.05Å; T160-T162 VanDerWaalsContact C-N 3.32Å; T160-T162 PolarHBondContact O-N 3.37Å; T160-L163 PolarHBondContact O-N 2.83Å; T160-A164 WeakPolarHBondContact O-CB 3.34Å; T160-A164 PolarHBondContact O-N 3.24Å; T160-A193 HydrophobicContact CG2-CB 3.98Å; T160-H197 PolarHBondContact OG1-ND1 3.45Å; T160-I199 HydrophobicContact CG2-CD1 4.05Å; T160-I199 WeakPolarHBondContact OG1-CD1 3.39Å |
| 161 | L | 98.4 | Very high | 97.1 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 174.7 | 174.2 | 55.2 | 0 | 0 | 0 | 111.7 | L147 A151 T156 S157 M158 V159 A164 R165 | L147-L161 HydrophobicContact CD1-CD1 4.16Å; L147-L161 HydrophobicContact CD2-CD1 4.25Å; L147-L161 HydrophobicContact CG-CD1 3.83Å; A151-L161 HydrophobicContact CB-CB 4.39Å; A151-L161 HydrophobicContact CB-CD1 3.63Å; A151-L161 HydrophobicContact CB-CD2 4.15Å; A151-L161 HydrophobicContact CB-CG 4.26Å; T156-L161 HydrophobicContact CG2-CB 4.3Å; S157-L161 WeakPolarHBondContact O-CB 3.24Å; S157-L161 PolarHBondContact O-N 2.93Å; M158-L161 PolarHBondContact O-N 3.06Å; M158-L161 HydrophobicContact SD-CD2 4.46Å; V159-L161 PolarHBondContact O-N 2.96Å; L161-A164 PolarHBondContact O-N 3.42Å; L161-R165 WeakPolarHBondContact O-CB 3.39Å; L161-R165 PolarHBondContact O-N 3.14Å |
| 162 | T | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.5 | -39.6 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | M158 V159 T160 R165 Y166 Y243 F248 F249 V251 | M158-T162 WeakPolarHBondContact O-CB 2.99Å; M158-T162 PolarHBondContact O-N 3.3Å; M158-T162 PolarHBondContact O-OG1 2.7Å; V159-T162 PolarHBondContact O-N 2.86Å; T160-T162 VanDerWaalsContact C-N 3.32Å; T160-T162 PolarHBondContact O-N 3.37Å; T162-R165 WeakPolarHBondContact O-CB 3.11Å; T162-R165 PolarHBondContact O-N 3.3Å; T162-Y166 PolarHBondContact O-N 2.9Å; T162-Y243 HydrophobicContact CG2-CD1 4.14Å; T162-Y243 HydrophobicContact CG2-CE1 4.11Å; T162-F248 HydrophobicContact CG2-CB 3.98Å; T162-F248 HydrophobicContact CG2-CD1 3.98Å; T162-F248 HydrophobicContact CG2-CG 4.5Å; T162-F248 WeakPolarHBondContact CG2-O 3.16Å; T162-F249 HydrophobicContact CG2-CD2 4.09Å; T162-V251 HydrophobicContact CG2-CG1 4.34Å; T162-V251 HydrophobicContact CG2-CG2 4.08Å |
| 163 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 172 | 174.2 | 58.5 | 0 | 0 | 0 | 112 | V159 T160 R165 Y166 I167 A193 L196 H197 V251 V254 | V159-L163 PolarHBondContact O-N 3.11Å; T160-L163 PolarHBondContact O-N 2.83Å; L163-R165 PolarHBondContact O-N 3.22Å; L163-Y166 HydrophobicContact CD1-CD1 4.21Å; L163-Y166 WeakPolarHBondContact O-CB 3.31Å; L163-Y166 PolarHBondContact O-N 2.62Å; L163-I167 HydrophobicContact CD1-CD1 4.01Å; L163-I167 HydrophobicContact CD1-CG1 4.34Å; L163-I167 HydrophobicContact CG-CD1 3.98Å; L163-I167 WeakPolarHBondContact O-CD1 3.15Å; L163-I167 WeakPolarHBondContact O-CG1 3.34Å; L163-I167 PolarHBondContact O-N 3.18Å; L163-A193 HydrophobicContact CB-CB 4.19Å; L163-A193 HydrophobicContact CD2-CB 4.03Å; L163-A193 HydrophobicContact CG-CB 3.85Å; L163-L196 HydrophobicContact CD2-CB 3.96Å; L163-L196 HydrophobicContact CD2-CD1 4.02Å; L163-H197 WeakPolarHBondContact CD2-NE2 3.43Å; L163-V251 HydrophobicContact CB-CB 4.09Å; L163-V251 HydrophobicContact CB-CG1 3.97Å; L163-V251 HydrophobicContact CD1-CB 4.12Å; L163-V254 HydrophobicContact CD1-CB 4.24Å; L163-V254 HydrophobicContact CD1-CG1 3.79Å; L163-V254 HydrophobicContact CD1-CG2 4.43Å; L163-V254 HydrophobicContact CD2-CG2 4.46Å |
| 164 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.2 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L147 T160 L161 L168 L190 A193 | L147-A164 HydrophobicContact CD1-CB 3.7Å; L147-A164 HydrophobicContact CD2-CB 4.07Å; L147-A164 HydrophobicContact CG-CB 4.48Å; T160-A164 WeakPolarHBondContact O-CB 3.34Å; T160-A164 PolarHBondContact O-N 3.24Å; L161-A164 PolarHBondContact O-N 3.42Å; A164-L168 VanDerWaalsContact O-CB 3.26Å; A164-L168 WeakPolarHBondContact O-CB 3.38Å; A164-L168 PolarHBondContact O-N 3.19Å; A164-L190 HydrophobicContact CB-CB 4.49Å; A164-L190 HydrophobicContact CB-CD1 4.02Å; A164-A193 HydrophobicContact CB-CB 3.66Å |
| 165 | R | 98.4 | Very high | 97.1 | Very high | 28 Ų | 28 | 21.5 Ų | 21.5 | 11% | 0.106 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 175.1 | -165.5 | -168.3 | -62.4 | -180 | 7.7 | 111.6 | H61 Y144 L147 L161 T162 L163 I167 L168 E169 Y243 | H61-R165 PolarHBondContact CD2-NH1 3.19Å; H61-R165 PolarHBondContact NE2-NH1 3.1Å; Y144-R165 HydrophobicContact CD2-CG 4.18Å; Y144-R165 HydrophobicContact CE2-CG 3.78Å; L147-R165 HydrophobicContact CD2-CB 4.28Å; L161-R165 WeakPolarHBondContact O-CB 3.39Å; L161-R165 PolarHBondContact O-N 3.14Å; T162-R165 WeakPolarHBondContact O-CB 3.11Å; T162-R165 PolarHBondContact O-N 3.3Å; L163-R165 PolarHBondContact O-N 3.22Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 3.44Å; R165-L168 PolarHBondContact O-N 2.77Å; R165-E169 VanDerWaalsContact O-CB 3.31Å; R165-E169 WeakPolarHBondContact O-CB 3.44Å; R165-E169 PolarHBondContact O-N 3.4Å; R165-Y243 HydrophobicContact CB-CE1 4.31Å; R165-Y243 WeakPolarHBondContact CD-OH 3.46Å; R165-Y243 HydrophobicContact CG-CE1 4.41Å; R165-Y243 WeakPolarHBondContact CG-OH 3.49Å |
| 166 | Y | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.7 | -48.7 | 173.7 | 168.6 | -116.2 | 0 | 0 | 0 | 111.6 | T162 L163 L168 E169 N170 I239 Y243 V251 A252 V254 | T162-Y166 PolarHBondContact O-N 2.9Å; L163-Y166 HydrophobicContact CD1-CD1 4.21Å; L163-Y166 WeakPolarHBondContact O-CB 3.31Å; L163-Y166 PolarHBondContact O-N 2.62Å; Y166-L168 VanDerWaalsContact C-N 3.34Å; Y166-L168 PolarHBondContact O-N 3.16Å; Y166-E169 PolarHBondContact O-N 3.29Å; Y166-N170 WeakPolarHBondContact CD2-ND2 3.3Å; Y166-N170 WeakPolarHBondContact CE2-ND2 3.29Å; Y166-N170 VanDerWaalsContact CZ-ND2 3.31Å; Y166-N170 PolarHBondContact O-N 3.11Å; Y166-N170 PolarHBondContact O-ND2 3.32Å; Y166-I239 HydrophobicContact CD2-CG2 4.03Å; Y166-I239 HydrophobicContact CE2-CG2 4.14Å; Y166-Y243 HydrophobicContact CD2-CD1 4.37Å; Y166-Y243 AromaticContact CD2-CD2 3.6Å; Y166-Y243 HydrophobicContact CD2-CD2 3.6Å; Y166-Y243 HydrophobicContact CD2-CE2 4.41Å; Y166-Y243 AromaticContact CD2-CG 3.57Å; Y166-Y243 HydrophobicContact CD2-CG 3.57Å; Y166-Y243 HydrophobicContact CG-CD1 4.4Å; Y166-Y243 HydrophobicContact CG-CD2 4.35Å; Y166-Y243 HydrophobicContact CG-CG 4.03Å; Y166-V251 HydrophobicContact CG-CG2 4.32Å; Y166-A252 HydrophobicContact CD2-CB 4.35Å; Y166-A252 HydrophobicContact CE1-CB 4.36Å; Y166-A252 HydrophobicContact CE2-CB 3.83Å; Y166-V254 HydrophobicContact CE1-CG1 4.4Å |
| 167 | I | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 177.2 | -69 | 158.2 | 0 | 0 | 0 | 110.6 | L163 R165 N170 S171 L192 A193 L196 L223 | L163-I167 HydrophobicContact CD1-CD1 4.01Å; L163-I167 HydrophobicContact CD1-CG1 4.34Å; L163-I167 HydrophobicContact CG-CD1 3.98Å; L163-I167 WeakPolarHBondContact O-CD1 3.15Å; L163-I167 WeakPolarHBondContact O-CG1 3.34Å; L163-I167 PolarHBondContact O-N 3.18Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 3.44Å; I167-N170 PolarHBondContact O-N 3.25Å; I167-S171 PolarHBondContact O-N 3.32Å; I167-L192 HydrophobicContact CD1-CB 4.05Å; I167-L192 HydrophobicContact CD1-CD2 3.82Å; I167-L192 HydrophobicContact CD1-CG 3.72Å; I167-L192 HydrophobicContact CG1-CD2 4.15Å; I167-L192 HydrophobicContact CG2-CD2 3.87Å; I167-A193 HydrophobicContact CD1-CB 4.1Å; I167-L196 HydrophobicContact CD1-CD1 4.22Å; I167-L223 HydrophobicContact CG2-CB 3.93Å; I167-L223 HydrophobicContact CG2-CD1 4.3Å; I167-L223 HydrophobicContact CG2-CD2 4.35Å; I167-L223 HydrophobicContact CG2-CG 4.43Å |
| 168 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.2 | -40.4 | -179.1 | -175.9 | 65.2 | 0 | 0 | 0 | 112 | Y65 L147 A164 R165 Y166 N170 S171 L185 S189 | Y65-L168 HydrophobicContact CE1-CD2 3.77Å; Y65-L168 HydrophobicContact CE1-CG 3.81Å; Y65-L168 WeakPolarHBondContact OH-CG 3.36Å; L147-L168 HydrophobicContact CB-CD2 4.1Å; L147-L168 HydrophobicContact CD2-CB 4.3Å; L147-L168 HydrophobicContact CD2-CD2 3.75Å; A164-L168 VanDerWaalsContact O-CB 3.26Å; A164-L168 WeakPolarHBondContact O-CB 3.38Å; A164-L168 PolarHBondContact O-N 3.19Å; R165-L168 PolarHBondContact O-N 2.77Å; Y166-L168 VanDerWaalsContact C-N 3.34Å; Y166-L168 PolarHBondContact O-N 3.16Å; L168-N170 VanDerWaalsContact C-N 3.35Å; L168-S171 WeakPolarHBondContact O-CB 3.4Å; L168-S171 PolarHBondContact O-N 3.2Å; L168-S171 VanDerWaalsContact O-N 3.16Å; L168-S171 PolarHBondContact O-OG 2.99Å; L168-L185 HydrophobicContact CD1-CB 3.85Å; L168-S189 WeakPolarHBondContact CD1-OG 3.38Å |
| 169 | E | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.4 | -37.8 | 179.1 | -158.6 | 165.2 | 134.3 | 0 | 0 | 110.1 | H61 L64 Y65 R165 Y166 S171 L172 I239 K242 Y243 | H61-E169 IonicContact CE1-OE2 3.96Å; H61-E169 IonicContact ND1-OE2 2.75Å; L64-E169 HydrophobicContact CD2-CG 4.29Å; Y65-E169 WeakPolarHBondContact OH-CA 3.26Å; Y65-E169 PolarHBondContact OH-N 3.31Å; R165-E169 VanDerWaalsContact O-CB 3.31Å; R165-E169 WeakPolarHBondContact O-CB 3.44Å; R165-E169 PolarHBondContact O-N 3.4Å; Y166-E169 PolarHBondContact O-N 3.29Å; E169-S171 VanDerWaalsContact C-N 3.25Å; E169-S171 PolarHBondContact O-N 3.04Å; E169-L172 HydrophobicContact CG-CD1 4.2Å; E169-L172 WeakPolarHBondContact O-CB 3.26Å; E169-L172 PolarHBondContact O-N 2.95Å; E169-I239 HydrophobicContact CB-CG2 4.21Å; E169-I239 HydrophobicContact CG-CD1 4.11Å; E169-I239 HydrophobicContact CG-CG1 4.3Å; E169-I239 HydrophobicContact CG-CG2 4.28Å; E169-I239 WeakPolarHBondContact O-CD1 3.34Å; E169-K242 IonicContact OE1-NZ 3.02Å; E169-K242 PolarHBondContact OE1-NZ 3.46Å; E169-K242 IonicContact OE2-NZ 3.98Å; E169-Y243 HydrophobicContact CB-CE2 4.23Å; E169-Y243 HydrophobicContact CG-CE2 4.42Å; E169-Y243 WeakPolarHBondContact OE2-CE2 3.34Å; E169-Y243 PolarHBondContact OE2-OH 3.29Å |
| 170 | N | 96.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.027 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.8 | -36.7 | 170.6 | -85.5 | -87.9 | 0 | 0 | 0 | 112.7 | Y166 I167 L168 L172 L173 Y174 L226 | Y166-N170 WeakPolarHBondContact CD2-ND2 3.3Å; Y166-N170 WeakPolarHBondContact CE2-ND2 3.29Å; Y166-N170 VanDerWaalsContact CZ-ND2 3.31Å; Y166-N170 PolarHBondContact O-N 3.11Å; Y166-N170 PolarHBondContact O-ND2 3.32Å; I167-N170 PolarHBondContact O-N 3.25Å; L168-N170 VanDerWaalsContact C-N 3.35Å; N170-L172 PolarHBondContact O-N 3.36Å; N170-L173 WeakPolarHBondContact O-CB 3.41Å; N170-L173 PolarHBondContact O-N 2.96Å; N170-L173 VanDerWaalsContact O-N 3.11Å; N170-Y174 WeakPolarHBondContact O-CD2 3.38Å; N170-L226 HydrophobicContact CB-CB 4.29Å; N170-L226 HydrophobicContact CB-CD1 4.21Å |
| 171 | S | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -23.9 | 177.1 | 82.5 | 0 | 0 | 0 | 0 | 112.9 | I167 L168 E169 L173 Y174 | I167-S171 PolarHBondContact O-N 3.32Å; L168-S171 WeakPolarHBondContact O-CB 3.4Å; L168-S171 PolarHBondContact O-N 3.2Å; L168-S171 VanDerWaalsContact O-N 3.16Å; L168-S171 PolarHBondContact O-OG 2.99Å; E169-S171 VanDerWaalsContact C-N 3.25Å; E169-S171 PolarHBondContact O-N 3.04Å; S171-L173 PolarHBondContact O-N 3.19Å; S171-Y174 PolarHBondContact O-N 3.5Å |
| 172 | L | 97.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 17.9 Ų | 17.9 | 9% | 0.089 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.1 | 176.6 | -61 | -179.4 | 0 | 0 | 0 | 112.3 | R43 V47 L64 Y65 V68 E169 N170 Y174 | R43-L172 PolarHBondContact NH1-O 3.35Å; R43-L172 PolarHBondContact NH2-O 2.86Å; R43-L172 VanDerWaalsContact NH2-O 3.17Å; V47-L172 HydrophobicContact CG1-CB 3.94Å; L64-L172 HydrophobicContact CD2-CD1 4.36Å; L64-L172 HydrophobicContact CG-CD1 4.39Å; Y65-L172 HydrophobicContact CD1-CD1 4.11Å; Y65-L172 HydrophobicContact CD1-CD2 3.92Å; Y65-L172 HydrophobicContact CD1-CG 4.46Å; Y65-L172 HydrophobicContact CD2-CD1 4.08Å; Y65-L172 HydrophobicContact CE1-CD1 3.95Å; Y65-L172 HydrophobicContact CE1-CD2 3.9Å; Y65-L172 HydrophobicContact CE1-CG 4.12Å; Y65-L172 HydrophobicContact CE2-CD1 3.96Å; Y65-L172 HydrophobicContact CG-CD1 4.19Å; V68-L172 HydrophobicContact CG1-CB 4.45Å; V68-L172 HydrophobicContact CG1-CD2 4.26Å; V68-L172 HydrophobicContact CG2-CD1 4.5Å; E169-L172 HydrophobicContact CG-CD1 4.2Å; E169-L172 WeakPolarHBondContact O-CB 3.26Å; E169-L172 PolarHBondContact O-N 2.95Å; N170-L172 PolarHBondContact O-N 3.36Å; L172-Y174 VanDerWaalsContact C-N 3.28Å; L172-Y174 PolarHBondContact O-N 3.23Å |
| 173 | L | 95.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -25.9 | -179.2 | -67.2 | 177.8 | 0 | 0 | 0 | 113.3 | R43 T44 V47 D48 N170 S171 L231 I239 | R43-L173 PolarHBondContact NH1-O 2.9Å; T44-L173 WeakPolarHBondContact CA-O 3.47Å; T44-L173 WeakPolarHBondContact CB-O 3.36Å; T44-L173 HydrophobicContact CG2-CB 4.1Å; T44-L173 HydrophobicContact CG2-CD2 4.46Å; T44-L173 PolarHBondContact OG1-O 2.9Å; V47-L173 HydrophobicContact CB-CD2 4.31Å; V47-L173 HydrophobicContact CG1-CD2 4.16Å; D48-L173 HydrophobicContact CB-CD2 3.83Å; N170-L173 WeakPolarHBondContact O-CB 3.41Å; N170-L173 PolarHBondContact O-N 2.96Å; N170-L173 VanDerWaalsContact O-N 3.11Å; S171-L173 PolarHBondContact O-N 3.19Å; L173-L231 HydrophobicContact CD1-CD1 3.75Å; L173-L231 HydrophobicContact CD1-CD2 4.19Å; L173-I239 HydrophobicContact CD1-CD1 3.77Å; L173-I239 HydrophobicContact CD2-CD1 3.81Å; L173-I239 HydrophobicContact CG-CD1 3.55Å |
| 174 | Y | 94.1 | Very high | 96.7 | Very high | 35 Ų | 35 | 19 Ų | 19 | 14% | 0.137 | 9% | 0.093 | C | C | . | . | trans | -113.2 | 115.2 | -164.3 | -68.7 | -78.9 | 0 | 0 | 0 | 110.8 | N170 S171 L172 E176 F177 L226 A229 L231 | N170-Y174 WeakPolarHBondContact O-CD2 3.38Å; S171-Y174 PolarHBondContact O-N 3.5Å; L172-Y174 VanDerWaalsContact C-N 3.28Å; L172-Y174 PolarHBondContact O-N 3.23Å; Y174-E176 VanDerWaalsContact CB-OE2 3.3Å; Y174-E176 WeakPolarHBondContact CB-OE2 3.28Å; Y174-E176 PolarHBondContact O-N 3.23Å; Y174-E176 VanDerWaalsContact O-N 3.11Å; Y174-F177 HydrophobicContact CG-CE2 4.42Å; Y174-F177 PolarHBondContact O-N 3.08Å; Y174-F177 VanDerWaalsContact O-N 3.08Å; Y174-L226 HydrophobicContact CD2-CD1 3.89Å; Y174-L226 HydrophobicContact CD2-CD2 3.65Å; Y174-L226 HydrophobicContact CD2-CG 4.36Å; Y174-L226 HydrophobicContact CE2-CD1 4.23Å; Y174-L226 HydrophobicContact CE2-CD2 3.57Å; Y174-L226 HydrophobicContact CE2-CG 4.33Å; Y174-L226 HydrophobicContact CG-CD2 4.21Å; Y174-A229 WeakPolarHBondContact OH-CB 3.48Å; Y174-L231 HydrophobicContact CE1-CD2 4.31Å; Y174-L231 HydrophobicContact CE2-CD2 4.39Å; Y174-L231 WeakPolarHBondContact OH-CD2 3.48Å | ||
| 175 | C | 93.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -64.2 | -19.4 | -175.6 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | M32 F177 C178 | M32-C175 HydrophobicContact CE-CB 4.23Å; M32-C175 HydrophobicContact CG-CB 4.03Å; M32-C175 VanDerWaalsContact CG-SG 3.52Å; C175-F177 PolarHBondContact O-N 3.11Å; C175-C178 WeakPolarHBondContact O-CB 3.17Å; C175-C178 PolarHBondContact O-N 3.07Å; C175-C178 PolarHBondContact O-SG 2.89Å |
| 176 | E | 93.7 | Very high | 96.7 | Very high | 90 Ų | 90 | 18.1 Ų | 18.1 | 42% | 0.421 | 9% | 0.09 | S | C | . | . | G | 310 helix | trans | -63.2 | -21 | 175.9 | -56.5 | 80.3 | -171.7 | 0 | 0 | 112.4 | Y174 V179 | Y174-E176 VanDerWaalsContact CB-OE2 3.3Å; Y174-E176 WeakPolarHBondContact CB-OE2 3.28Å; Y174-E176 PolarHBondContact O-N 3.23Å; Y174-E176 VanDerWaalsContact O-N 3.11Å; E176-V179 WeakPolarHBondContact O-CG2 3.13Å |
| 177 | F | 96.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 6% | 0.057 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -87.3 | -15.5 | 178.3 | -67 | -92.3 | 0 | 0 | 0 | 113.4 | Y174 C175 V179 Y180 L185 L219 K222 L223 L226 | Y174-F177 HydrophobicContact CG-CE2 4.42Å; Y174-F177 PolarHBondContact O-N 3.08Å; Y174-F177 VanDerWaalsContact O-N 3.08Å; C175-F177 PolarHBondContact O-N 3.11Å; F177-V179 PolarHBondContact O-N 3.26Å; F177-Y180 HydrophobicContact CD1-CD2 4.44Å; F177-Y180 PolarHBondContact O-N 3.41Å; F177-Y180 VanDerWaalsContact O-N 3.13Å; F177-L185 HydrophobicContact CB-CD2 4.16Å; F177-L185 HydrophobicContact CD1-CD2 3.84Å; F177-L185 HydrophobicContact CG-CD2 4.45Å; F177-L219 HydrophobicContact CD1-CD1 3.91Å; F177-L219 HydrophobicContact CE1-CD1 3.87Å; F177-K222 HydrophobicContact CE1-CB 4.06Å; F177-K222 HydrophobicContact CZ-CB 4.05Å; F177-L223 HydrophobicContact CD1-CD2 3.85Å; F177-L223 HydrophobicContact CE1-CD2 3.45Å; F177-L223 VanDerWaalsContact CE1-CD2 3.45Å; F177-L223 HydrophobicContact CE1-CG 3.87Å; F177-L223 HydrophobicContact CZ-CD2 4.13Å; F177-L226 HydrophobicContact CD2-CD1 4.47Å; F177-L226 HydrophobicContact CE1-CD1 4.47Å; F177-L226 HydrophobicContact CE2-CD1 3.72Å; F177-L226 HydrophobicContact CE2-CD2 3.98Å; F177-L226 HydrophobicContact CE2-CG 4.23Å; F177-L226 HydrophobicContact CZ-CD1 3.71Å; F177-L226 HydrophobicContact CZ-CD2 4.16Å; F177-L226 HydrophobicContact CZ-CG 4.06Å |
| 178 | C | 94.6 | Very high | 96.8 | Very high | 12 Ų | 12 | 18 Ų | 18 | 8% | 0.081 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.7 | -179.2 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | V28 D72 C175 Y180 | V28-C178 HydrophobicContact CB-CB 4.42Å; V28-C178 HydrophobicContact CG1-CB 4.18Å; V28-C178 VanDerWaalsContact O-O 3.1Å; D72-C178 PolarHBondContact OD2-SG 3.16Å; C175-C178 WeakPolarHBondContact O-CB 3.17Å; C175-C178 PolarHBondContact O-N 3.07Å; C175-C178 PolarHBondContact O-SG 2.89Å; C178-Y180 VanDerWaalsContact C-N 3.35Å |
| 179 | V | 95.5 | Very high | 96.8 | Very high | 68 Ų | 68 | 18 Ų | 18 | 41% | 0.412 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -17.5 | -178.4 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | V28 E176 F177 | V28-V179 WeakPolarHBondContact O-CA 3.38Å; E176-V179 WeakPolarHBondContact O-CG2 3.13Å; F177-V179 PolarHBondContact O-N 3.26Å |
| 180 | Y | 96.9 | Very high | 96.8 | Very high | 43 Ų | 43 | 18 Ų | 18 | 17% | 0.169 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -79.9 | 156.8 | -179.1 | -69.9 | -84.8 | 0 | 0 | 0 | 111.5 | F177 C178 L219 K222 | F177-Y180 HydrophobicContact CD1-CD2 4.44Å; F177-Y180 PolarHBondContact O-N 3.41Å; F177-Y180 VanDerWaalsContact O-N 3.13Å; C178-Y180 VanDerWaalsContact C-N 3.35Å; Y180-L219 HydrophobicContact CD1-CD1 3.99Å; Y180-L219 HydrophobicContact CD1-CD2 3.7Å; Y180-L219 HydrophobicContact CD1-CG 4.33Å; Y180-L219 HydrophobicContact CD2-CD1 3.97Å; Y180-L219 HydrophobicContact CE1-CB 4.26Å; Y180-L219 HydrophobicContact CE1-CD1 3.81Å; Y180-L219 HydrophobicContact CE1-CD2 4.1Å; Y180-L219 HydrophobicContact CE1-CG 4.27Å; Y180-L219 HydrophobicContact CE2-CD1 3.79Å; Y180-L219 HydrophobicContact CG-CD1 4.05Å; Y180-L219 HydrophobicContact CG-CD2 4.06Å; Y180-K222 WeakPolarHBondContact OH-CD 3.19Å; Y180-K222 WeakPolarHBondContact OH-CE 3.41Å; Y180-K222 PolarHBondContact OH-NZ 3.39Å |
| 181 | L | 97.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 17.8 Ų | 17.8 | 15% | 0.147 | 9% | 0.089 | C | C | . | . | trans | -67.5 | 144.9 | 169.6 | -71.9 | 177 | 0 | 0 | 0 | 109.9 | E23 R27 S183 E184 L185 Y211 | E23-L181 HydrophobicContact CB-CD2 3.69Å; E23-L181 HydrophobicContact CG-CD2 4.49Å; R27-L181 HydrophobicContact CG-CD2 4.49Å; L181-S183 VanDerWaalsContact C-N 3.28Å; L181-S183 PolarHBondContact O-N 2.7Å; L181-E184 HydrophobicContact CB-CB 3.9Å; L181-E184 WeakPolarHBondContact O-CB 3.43Å; L181-E184 PolarHBondContact O-N 2.81Å; L181-L185 PolarHBondContact O-N 3.07Å; L181-Y211 WeakPolarHBondContact CD1-OH 3.4Å | ||
| 182 | E | 97.9 | Very high | 97 | Very high | 21 Ų | 21 | 17.6 Ų | 17.6 | 10% | 0.098 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | -179.5 | -65.5 | -67.3 | 155.7 | 0 | 0 | 110.7 | E23 K69 P141 S143 F146 E184 A186 | E23-E182 WeakPolarHBondContact OE1-CA 3.39Å; E23-E182 WeakPolarHBondContact OE1-CB 3.29Å; E23-E182 PolarHBondContact OE1-N 2.84Å; K69-E182 WeakPolarHBondContact CE-OE1 3.48Å; K69-E182 IonicContact NZ-OE1 2.6Å; K69-E182 PolarHBondContact NZ-OE1 3.17Å; P141-E182 WeakPolarHBondContact O-CG 3.45Å; S143-E182 VanDerWaalsContact CA-O 3.29Å; S143-E182 WeakPolarHBondContact CA-O 3.44Å; S143-E182 WeakPolarHBondContact CB-O 3.25Å; S143-E182 WeakPolarHBondContact CB-OE2 3.45Å; S143-E182 PolarHBondContact N-OE2 3.13Å; S143-E182 PolarHBondContact OG-OE2 3.5Å; F146-E182 HydrophobicContact CD2-CB 4.09Å; F146-E182 HydrophobicContact CE2-CB 4.08Å; E182-E184 VanDerWaalsContact C-N 3.33Å; E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.94Å |
| 183 | S | 97.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.7 | -31.6 | 176.8 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | E23 L181 A187 Y211 | E23-S183 PolarHBondContact OE1-N 3.06Å; E23-S183 PolarHBondContact OE1-OG 2.74Å; E23-S183 WeakPolarHBondContact OE2-CB 3.49Å; E23-S183 PolarHBondContact OE2-OG 3.17Å; L181-S183 VanDerWaalsContact C-N 3.28Å; L181-S183 PolarHBondContact O-N 2.7Å; S183-A187 WeakPolarHBondContact O-CB 3.5Å; S183-A187 PolarHBondContact O-N 2.75Å; S183-Y211 PolarHBondContact OG-OH 3.1Å; S183-Y211 VanDerWaalsContact OG-OH 3.1Å |
| 184 | E | 98.2 | Very high | 97.2 | Very high | 26 Ų | 26 | 17 Ų | 17 | 12% | 0.121 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -73.3 | -45.2 | 176.1 | -164.9 | -171.5 | 163.2 | 0 | 0 | 111.4 | L181 E182 A186 A187 A188 Y211 H215 L216 L219 | L181-E184 HydrophobicContact CB-CB 3.9Å; L181-E184 WeakPolarHBondContact O-CB 3.43Å; L181-E184 PolarHBondContact O-N 2.81Å; E182-E184 VanDerWaalsContact C-N 3.33Å; E184-A186 VanDerWaalsContact C-N 3.29Å; E184-A186 PolarHBondContact O-N 2.91Å; E184-A187 PolarHBondContact O-N 3.07Å; E184-A188 WeakPolarHBondContact O-CB 3.48Å; E184-A188 PolarHBondContact O-N 3.1Å; E184-Y211 HydrophobicContact CB-CE1 4.39Å; E184-Y211 HydrophobicContact CB-CE2 4.05Å; E184-Y211 HydrophobicContact CG-CE1 4.27Å; E184-Y211 HydrophobicContact CG-CE2 4.48Å; E184-H215 IonicContact OE1-NE2 2.61Å; E184-L216 HydrophobicContact CG-CD2 4.08Å; E184-L219 HydrophobicContact CB-CD2 4.47Å; E184-L219 HydrophobicContact CG-CD2 3.85Å |
| 185 | L | 98.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.3 | -44.6 | 172.6 | -77.4 | 169.2 | 0 | 0 | 0 | 111.5 | L168 F177 L181 S189 L219 | L168-L185 HydrophobicContact CD1-CB 3.85Å; F177-L185 HydrophobicContact CB-CD2 4.16Å; F177-L185 HydrophobicContact CD1-CD2 3.84Å; F177-L185 HydrophobicContact CG-CD2 4.45Å; L181-L185 PolarHBondContact O-N 3.07Å; L185-S189 VanDerWaalsContact O-CB 3.27Å; L185-S189 WeakPolarHBondContact O-CB 3.36Å; L185-S189 PolarHBondContact O-N 3.45Å; L185-S189 PolarHBondContact O-OG 3.24Å; L185-L219 HydrophobicContact CD2-CD1 4.23Å; L185-L219 HydrophobicContact CD2-CD2 4.2Å |
| 186 | A | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S143 F146 L147 E182 E184 S189 L190 | S143-A186 VanDerWaalsContact O-CB 3.28Å; S143-A186 WeakPolarHBondContact O-CB 3.39Å; F146-A186 HydrophobicContact CB-CB 3.53Å; L147-A186 HydrophobicContact CB-CB 3.98Å; E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.94Å; E184-A186 VanDerWaalsContact C-N 3.29Å; E184-A186 PolarHBondContact O-N 2.91Å; A186-S189 PolarHBondContact O-N 2.66Å; A186-L190 PolarHBondContact O-N 3.15Å |
| 187 | A | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | L150 S183 E184 S189 L190 L191 W201 Y211 L216 | L150-A187 HydrophobicContact CD2-CB 4.17Å; S183-A187 WeakPolarHBondContact O-CB 3.5Å; S183-A187 PolarHBondContact O-N 2.75Å; E184-A187 PolarHBondContact O-N 3.07Å; A187-S189 PolarHBondContact O-N 3.02Å; A187-L190 PolarHBondContact O-N 3.23Å; A187-L191 WeakPolarHBondContact O-CB 3.12Å; A187-L191 PolarHBondContact O-N 3.16Å; A187-W201 HydrophobicContact CB-CH2 4.47Å; A187-W201 WeakPolarHBondContact O-CH2 2.97Å; A187-Y211 HydrophobicContact CB-CD2 4.05Å; A187-L216 HydrophobicContact CB-CD1 3.81Å; A187-L216 HydrophobicContact CB-CD2 3.89Å |
| 188 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E184 L191 L192 L216 L219 L223 | E184-A188 WeakPolarHBondContact O-CB 3.48Å; E184-A188 PolarHBondContact O-N 3.1Å; A188-L191 PolarHBondContact O-N 2.93Å; A188-L192 PolarHBondContact O-N 3.26Å; A188-L216 HydrophobicContact CB-CD2 4.23Å; A188-L219 HydrophobicContact CB-CB 4.1Å; A188-L219 HydrophobicContact CB-CD2 3.7Å; A188-L219 HydrophobicContact CB-CG 3.68Å; A188-L223 HydrophobicContact CB-CD1 3.76Å |
| 189 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 175.1 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | L168 L185 A186 A187 L192 A193 | L168-S189 WeakPolarHBondContact CD1-OG 3.38Å; L185-S189 VanDerWaalsContact O-CB 3.27Å; L185-S189 WeakPolarHBondContact O-CB 3.36Å; L185-S189 PolarHBondContact O-N 3.45Å; L185-S189 PolarHBondContact O-OG 3.24Å; A186-S189 PolarHBondContact O-N 2.66Å; A187-S189 PolarHBondContact O-N 3.02Å; S189-L192 PolarHBondContact O-N 2.95Å; S189-A193 PolarHBondContact O-N 3.27Å; S189-A193 VanDerWaalsContact O-N 3.09Å |
| 190 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 174.8 | -173.6 | 61.5 | 0 | 0 | 0 | 112 | L147 L150 T156 A164 A186 A187 L192 A193 A194 W201 | L147-L190 HydrophobicContact CD1-CB 3.8Å; L147-L190 HydrophobicContact CD1-CD1 4.16Å; L147-L190 HydrophobicContact CD1-CG 4.4Å; L150-L190 HydrophobicContact CB-CD2 4.14Å; L150-L190 HydrophobicContact CD2-CD2 3.65Å; L150-L190 HydrophobicContact CG-CD2 3.59Å; T156-L190 HydrophobicContact CG2-CD1 3.91Å; A164-L190 HydrophobicContact CB-CB 4.49Å; A164-L190 HydrophobicContact CB-CD1 4.02Å; A186-L190 PolarHBondContact O-N 3.15Å; A187-L190 PolarHBondContact O-N 3.23Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 3.36Å; L190-A193 PolarHBondContact O-N 2.93Å; L190-A194 VanDerWaalsContact O-CB 3.32Å; L190-A194 WeakPolarHBondContact O-CB 3.18Å; L190-A194 PolarHBondContact O-N 2.98Å; L190-W201 HydrophobicContact CB-CH2 4.38Å; L190-W201 HydrophobicContact CB-CZ3 4.23Å; L190-W201 HydrophobicContact CD2-CH2 4.44Å; L190-W201 HydrophobicContact CD2-CZ3 4.28Å; L190-W201 HydrophobicContact CG-CZ3 4.06Å |
| 191 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 175.7 | 175.2 | 63.1 | 0 | 0 | 0 | 111.1 | A187 A188 A194 K195 W201 E213 L216 M220 | A187-L191 WeakPolarHBondContact O-CB 3.12Å; A187-L191 PolarHBondContact O-N 3.16Å; A188-L191 PolarHBondContact O-N 2.93Å; L191-A194 PolarHBondContact O-N 3.37Å; L191-K195 HydrophobicContact CD1-CD 4.47Å; L191-K195 HydrophobicContact CD1-CG 4.38Å; L191-K195 WeakPolarHBondContact O-CG 3.25Å; L191-K195 PolarHBondContact O-N 2.87Å; L191-W201 VanDerWaalsContact CA-CZ3 3.49Å; L191-W201 HydrophobicContact CB-CD2 4.47Å; L191-W201 HydrophobicContact CB-CE3 3.95Å; L191-W201 HydrophobicContact CB-CH2 4.11Å; L191-W201 HydrophobicContact CB-CZ3 3.75Å; L191-W201 HydrophobicContact CD1-CB 3.88Å; L191-W201 HydrophobicContact CD1-CD2 3.67Å; L191-W201 HydrophobicContact CD1-CE3 3.58Å; L191-W201 HydrophobicContact CD1-CG 3.84Å; L191-W201 HydrophobicContact CD1-CZ3 4.29Å; L191-W201 HydrophobicContact CG-CE3 4.38Å; L191-E213 HydrophobicContact CD1-CG 4.06Å; L191-E213 HydrophobicContact CD2-CG 4.07Å; L191-L216 HydrophobicContact CD2-CB 3.55Å; L191-L216 HydrophobicContact CD2-CD1 4.2Å; L191-M220 HydrophobicContact CD2-CB 4.26Å; L191-M220 HydrophobicContact CD2-CG 4.26Å; L191-M220 HydrophobicContact CD2-SD 3.97Å; L191-M220 HydrophobicContact CG-CG 4.24Å; L191-M220 HydrophobicContact CG-SD 3.91Å |
| 192 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 177.4 | 179.8 | 53.6 | 0 | 0 | 0 | 111.4 | I167 A188 S189 L190 A194 K195 L196 M220 L223 N224 I227 L257 | I167-L192 HydrophobicContact CD1-CB 4.05Å; I167-L192 HydrophobicContact CD1-CD2 3.82Å; I167-L192 HydrophobicContact CD1-CG 3.72Å; I167-L192 HydrophobicContact CG1-CD2 4.15Å; I167-L192 HydrophobicContact CG2-CD2 3.87Å; A188-L192 PolarHBondContact O-N 3.26Å; S189-L192 PolarHBondContact O-N 2.95Å; L190-L192 VanDerWaalsContact C-N 3.33Å; L190-L192 PolarHBondContact O-N 3.36Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.17Å; L192-K195 PolarHBondContact O-N 3.24Å; L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.21Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 WeakPolarHBondContact O-CG 3.38Å; L192-L196 PolarHBondContact O-N 3.49Å; L192-M220 HydrophobicContact CB-CG 3.63Å; L192-M220 HydrophobicContact CD1-CG 4.17Å; L192-M220 HydrophobicContact CG-CG 4.39Å; L192-L223 HydrophobicContact CD2-CB 4.02Å; L192-N224 HydrophobicContact CD1-CB 3.97Å; L192-N224 HydrophobicContact CD2-CB 3.91Å; L192-I227 HydrophobicContact CD2-CD1 4.2Å; L192-L257 HydrophobicContact CD1-CD1 3.5Å; L192-L257 HydrophobicContact CD1-CG 4.02Å |
| 193 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T160 L163 A164 I167 S189 L190 L196 H197 | T160-A193 HydrophobicContact CG2-CB 3.98Å; L163-A193 HydrophobicContact CB-CB 4.19Å; L163-A193 HydrophobicContact CD2-CB 4.03Å; L163-A193 HydrophobicContact CG-CB 3.85Å; A164-A193 HydrophobicContact CB-CB 3.66Å; I167-A193 HydrophobicContact CD1-CB 4.1Å; S189-A193 PolarHBondContact O-N 3.27Å; S189-A193 VanDerWaalsContact O-N 3.09Å; L190-A193 PolarHBondContact O-N 2.93Å; A193-L196 PolarHBondContact O-N 2.82Å; A193-H197 PolarHBondContact O-N 3.46Å; A193-H197 VanDerWaalsContact O-N 3.15Å |
| 194 | A | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -49.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | L190 L191 L192 L196 H197 G198 I199 | L190-A194 VanDerWaalsContact O-CB 3.32Å; L190-A194 WeakPolarHBondContact O-CB 3.18Å; L190-A194 PolarHBondContact O-N 2.98Å; L191-A194 PolarHBondContact O-N 3.37Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.17Å; A194-L196 PolarHBondContact O-N 3.24Å; A194-H197 CarbonylContact O-C 3.38Å; A194-H197 PolarHBondContact O-N 2.93Å; A194-H197 VanDerWaalsContact O-N 3.08Å; A194-G198 PolarHBondContact O-N 3.48Å; A194-I199 HydrophobicContact CB-CB 4.01Å; A194-I199 HydrophobicContact CB-CG2 4.31Å; A194-I199 PolarHBondContact O-N 3.38Å |
| 195 | K | 97.6 | Very high | 97.1 | Very high | 72 Ų | 72 | 35.8 Ų | 35.8 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 177.2 | -76.1 | -173.9 | -179.9 | -66.6 | 0 | 113.3 | L191 L192 H197 G198 E213 M220 L257 | L191-K195 HydrophobicContact CD1-CD 4.47Å; L191-K195 HydrophobicContact CD1-CG 4.38Å; L191-K195 WeakPolarHBondContact O-CG 3.25Å; L191-K195 PolarHBondContact O-N 2.87Å; L192-K195 PolarHBondContact O-N 3.24Å; K195-H197 PolarHBondContact O-N 3.25Å; K195-G198 PolarHBondContact O-N 2.9Å; K195-G198 VanDerWaalsContact O-N 3.09Å; K195-E213 WeakPolarHBondContact CE-OE1 3.26Å; K195-E213 IonicContact NZ-OE1 3.89Å; K195-E213 PolarHBondContact NZ-OE1 3.46Å; K195-M220 HydrophobicContact CD-CE 4.45Å; K195-M220 HydrophobicContact CD-SD 3.61Å; K195-L257 HydrophobicContact CB-CD1 3.73Å; K195-L257 HydrophobicContact CD-CD1 4.2Å |
| 196 | L | 97.4 | Very high | 97 | Very high | 36 Ų | 36 | 39 Ų | 39 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -27.9 | 175.5 | -76.7 | 165.3 | 0 | 0 | 0 | 112.6 | L163 I167 L192 A193 A194 I227 V254 K255 L257 | L163-L196 HydrophobicContact CD2-CB 3.96Å; L163-L196 HydrophobicContact CD2-CD1 4.02Å; I167-L196 HydrophobicContact CD1-CD1 4.22Å; L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.21Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 WeakPolarHBondContact O-CB 3.48Å; L192-L196 WeakPolarHBondContact O-CG 3.38Å; L192-L196 PolarHBondContact O-N 3.49Å; A193-L196 PolarHBondContact O-N 2.82Å; A194-L196 PolarHBondContact O-N 3.24Å; L196-I227 HydrophobicContact CD1-CD1 3.93Å; L196-V254 HydrophobicContact CB-CG2 4.49Å; L196-V254 HydrophobicContact CD1-CG2 4.03Å; L196-V254 HydrophobicContact CD2-CG2 3.96Å; L196-V254 HydrophobicContact CG-CG2 4.4Å; L196-K255 VanDerWaalsContact CD2-O 3.25Å; L196-K255 WeakPolarHBondContact CD2-O 3.32Å; L196-L257 HydrophobicContact CD2-CD2 3.59Å; L196-L257 HydrophobicContact CD2-CG 3.64Å; L196-L257 HydrophobicContact CG-CD2 4.05Å; L196-L257 HydrophobicContact CG-CG 3.96Å |
| 197 | H | 97.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 45.9 Ų | 45.9 | 37% | 0.366 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 7.6 | 175.3 | -69.3 | 174.9 | 0 | 0 | 0 | 114 | T160 L163 A193 A194 K195 I199 | T160-H197 PolarHBondContact OG1-ND1 3.45Å; L163-H197 WeakPolarHBondContact CD2-NE2 3.43Å; A193-H197 PolarHBondContact O-N 3.46Å; A193-H197 VanDerWaalsContact O-N 3.15Å; A194-H197 CarbonylContact O-C 3.38Å; A194-H197 PolarHBondContact O-N 2.93Å; A194-H197 VanDerWaalsContact O-N 3.08Å; K195-H197 PolarHBondContact O-N 3.25Å; H197-I199 VanDerWaalsContact C-N 3.29Å; H197-I199 HydrophobicContact CB-CD1 4Å; H197-I199 HydrophobicContact CB-CG1 4.19Å; H197-I199 PolarHBondContact O-N 2.88Å |
| 198 | G | 95.7 | Very high | 96.3 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 76% | 0.763 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 25.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A194 K195 | A194-G198 PolarHBondContact O-N 3.48Å; K195-G198 PolarHBondContact O-N 2.9Å; K195-G198 VanDerWaalsContact O-N 3.09Å |
| 199 | I | 95.8 | Very high | 96 | Very high | 74 Ų | 74 | 50 Ų | 50 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | trans | -91.2 | 132.9 | 177.9 | -60.2 | 168 | 0 | 0 | 0 | 109.1 | T160 A194 H197 | T160-I199 HydrophobicContact CG2-CD1 4.05Å; T160-I199 WeakPolarHBondContact OG1-CD1 3.39Å; A194-I199 HydrophobicContact CB-CB 4.01Å; A194-I199 HydrophobicContact CB-CG2 4.31Å; A194-I199 PolarHBondContact O-N 3.38Å; H197-I199 VanDerWaalsContact C-N 3.29Å; H197-I199 HydrophobicContact CB-CD1 4Å; H197-I199 HydrophobicContact CB-CG1 4.19Å; H197-I199 PolarHBondContact O-N 2.88Å | ||
| 200 | E | 94.7 | Very high | 95.8 | Very high | 156 Ų | 156 | 52 Ų | 52 | 73% | 0.729 | 29% | 0.287 | S | S | * | . | trans | -73.7 | 141.4 | 178.7 | -172.3 | 178.8 | -178 | 0 | 0 | 112.2 | T202 | E200-T202 PolarHBondContact O-N 3.28Š| ||
| 201 | W | 95.7 | Very high | 95.8 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | trans | -81.8 | 104.6 | 171.3 | -165.1 | -102.1 | 0 | 0 | 0 | 110 | L150 A187 L190 L191 H205 E213 L216 | L150-W201 HydrophobicContact CD2-CH2 4.06Å; A187-W201 HydrophobicContact CB-CH2 4.47Å; A187-W201 WeakPolarHBondContact O-CH2 2.97Å; L190-W201 HydrophobicContact CB-CH2 4.38Å; L190-W201 HydrophobicContact CB-CZ3 4.23Å; L190-W201 HydrophobicContact CD2-CH2 4.44Å; L190-W201 HydrophobicContact CD2-CZ3 4.28Å; L190-W201 HydrophobicContact CG-CZ3 4.06Å; L191-W201 VanDerWaalsContact CA-CZ3 3.49Å; L191-W201 HydrophobicContact CB-CD2 4.47Å; L191-W201 HydrophobicContact CB-CE3 3.95Å; L191-W201 HydrophobicContact CB-CH2 4.11Å; L191-W201 HydrophobicContact CB-CZ3 3.75Å; L191-W201 HydrophobicContact CD1-CB 3.88Å; L191-W201 HydrophobicContact CD1-CD2 3.67Å; L191-W201 HydrophobicContact CD1-CE3 3.58Å; L191-W201 HydrophobicContact CD1-CG 3.84Å; L191-W201 HydrophobicContact CD1-CZ3 4.29Å; L191-W201 HydrophobicContact CG-CE3 4.38Å; W201-H205 HydrophobicContact CD2-CB 3.53Å; W201-H205 AromaticContact CD2-CG 3.84Å; W201-H205 HydrophobicContact CE3-CB 3.92Å; W201-H205 AromaticContact CE3-CD2 3.53Å; W201-H205 AromaticContact CE3-CG 3.79Å; W201-H205 HydrophobicContact CG-CB 4.08Å; W201-H205 HydrophobicContact CH2-CB 3.96Å; W201-H205 AromaticContact CH2-CD2 3.96Å; W201-H205 HydrophobicContact CZ2-CB 3.56Å; W201-H205 HydrophobicContact CZ3-CB 4.12Å; W201-H205 AromaticContact CZ3-CD2 3.46Å; W201-H205 VanDerWaalsContact CZ3-CD2 3.46Å; W201-H205 WeakPolarHBondContact CZ3-CD2 3.48Å; W201-E213 HydrophobicContact CG-CB 4.38Å; W201-L216 HydrophobicContact CH2-CD1 4.22Å; W201-L216 HydrophobicContact CZ2-CD1 3.55Å | ||
| 202 | T | 95.2 | Very high | 95.7 | Very high | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | trans | -89.2 | 169.1 | -173.8 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | E200 D204 H205 E206 | E200-T202 PolarHBondContact O-N 3.28Å; T202-D204 PolarHBondContact O-N 2.91Å; T202-D204 PolarHBondContact OG1-N 3.31Å; T202-H205 PolarHBondContact N-ND1 3.33Å; T202-H205 VanDerWaalsContact O-CB 3.29Å; T202-H205 WeakPolarHBondContact O-CB 3.36Å; T202-H205 PolarHBondContact O-N 2.89Å; T202-H205 PolarHBondContact OG1-CE1 3Å; T202-H205 PolarHBondContact OG1-ND1 2.93Å; T202-E206 PolarHBondContact O-N 3.24Å | ||
| 203 | S | 94.4 | Very high | 95.6 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 63% | 0.629 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.6 | -28.3 | 174.2 | 56.4 | 0 | 0 | 0 | 0 | 114 | H205 E206 K207 | S203-H205 VanDerWaalsContact C-N 3.34Å; S203-E206 PolarHBondContact O-N 3.03Å; S203-K207 VanDerWaalsContact O-CB 3.26Å; S203-K207 WeakPolarHBondContact O-CB 3.24Å; S203-K207 PolarHBondContact O-N 2.7Å |
| 204 | D | 92.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 68.1 Ų | 68.1 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 173 | -75.9 | -32 | 0 | 0 | 0 | 111.4 | T154 T202 E206 K207 Y208 | T154-D204 HydrophobicContact CG2-CB 4.44Å; T202-D204 PolarHBondContact O-N 2.91Å; T202-D204 PolarHBondContact OG1-N 3.31Å; D204-E206 VanDerWaalsContact C-N 3.31Å; D204-E206 PolarHBondContact O-N 3.32Å; D204-K207 PolarHBondContact O-N 2.96Å; D204-Y208 HydrophobicContact CB-CD2 4.39Å; D204-Y208 VanDerWaalsContact O-CD2 3.24Å; D204-Y208 WeakPolarHBondContact O-CD2 3.48Å; D204-Y208 PolarHBondContact O-N 3.49Å |
| 205 | H | 96.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.8 | -61.9 | 80.8 | 0 | 0 | 0 | 110.8 | T154 W201 T202 S203 G209 | T154-H205 WeakPolarHBondContact CB-NE2 3.17Å; T154-H205 HydrophobicContact CG2-CB 4.42Å; T154-H205 PolarHBondContact OG1-NE2 3.45Å; W201-H205 HydrophobicContact CD2-CB 3.53Å; W201-H205 AromaticContact CD2-CG 3.84Å; W201-H205 HydrophobicContact CE3-CB 3.92Å; W201-H205 AromaticContact CE3-CD2 3.53Å; W201-H205 AromaticContact CE3-CG 3.79Å; W201-H205 HydrophobicContact CG-CB 4.08Å; W201-H205 HydrophobicContact CH2-CB 3.96Å; W201-H205 AromaticContact CH2-CD2 3.96Å; W201-H205 HydrophobicContact CZ2-CB 3.56Å; W201-H205 HydrophobicContact CZ3-CB 4.12Å; W201-H205 AromaticContact CZ3-CD2 3.46Å; W201-H205 VanDerWaalsContact CZ3-CD2 3.46Å; W201-H205 WeakPolarHBondContact CZ3-CD2 3.48Å; T202-H205 PolarHBondContact N-ND1 3.33Å; T202-H205 VanDerWaalsContact O-CB 3.29Å; T202-H205 WeakPolarHBondContact O-CB 3.36Å; T202-H205 PolarHBondContact O-N 2.89Å; T202-H205 PolarHBondContact OG1-CE1 3Å; T202-H205 PolarHBondContact OG1-ND1 2.93Å; S203-H205 VanDerWaalsContact C-N 3.34Å; H205-G209 WeakPolarHBondContact O-CA 3.39Å; H205-G209 PolarHBondContact O-N 3.33Å |
| 206 | E | 96.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 178 | -55.1 | -163.1 | 152 | 0 | 0 | 112.1 | T202 S203 D204 G210 Y211 N212 E213 | T202-E206 PolarHBondContact O-N 3.24Å; S203-E206 PolarHBondContact O-N 3.03Å; D204-E206 VanDerWaalsContact C-N 3.31Å; D204-E206 PolarHBondContact O-N 3.32Å; E206-G210 WeakPolarHBondContact O-CA 3.27Å; E206-G210 PolarHBondContact O-N 3.12Å; E206-Y211 WeakPolarHBondContact CA-O 3.44Å; E206-Y211 PolarHBondContact O-N 3.46Å; E206-N212 HydrophobicContact CG-CB 4.48Å; E206-N212 WeakPolarHBondContact OE1-CA 3.45Å; E206-N212 WeakPolarHBondContact OE1-CB 3.47Å; E206-E213 PolarHBondContact OE1-N 2.98Å |
| 207 | K | 92.3 | Very high | 95.5 | Very high | 146 Ų | 146 | 69.6 Ų | 69.6 | 64% | 0.635 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | -179 | 179.6 | -178.2 | 175.8 | -171.4 | 0 | 112.3 | S203 D204 | S203-K207 VanDerWaalsContact O-CB 3.26Å; S203-K207 WeakPolarHBondContact O-CB 3.24Å; S203-K207 PolarHBondContact O-N 2.7Å; D204-K207 PolarHBondContact O-N 2.96Å |
| 208 | Y | 90.7 | Very high | 95.5 | Very high | 84 Ų | 84 | 69.7 Ų | 69.7 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -92.2 | -27.5 | -175.4 | -66.4 | -74.5 | 0 | 0 | 0 | 113.2 | I153 D204 | I153-Y208 HydrophobicContact CD1-CD1 3.79Å; I153-Y208 HydrophobicContact CD1-CE1 4.41Å; I153-Y208 HydrophobicContact CD1-CG 3.93Å; I153-Y208 HydrophobicContact CG2-CD1 4.29Å; I153-Y208 HydrophobicContact CG2-CD2 3.42Å; I153-Y208 VanDerWaalsContact CG2-CD2 3.42Å; I153-Y208 HydrophobicContact CG2-CE1 4.46Å; I153-Y208 HydrophobicContact CG2-CE2 3.65Å; I153-Y208 HydrophobicContact CG2-CG 3.79Å; D204-Y208 HydrophobicContact CB-CD2 4.39Å; D204-Y208 VanDerWaalsContact O-CD2 3.24Å; D204-Y208 WeakPolarHBondContact O-CD2 3.48Å; D204-Y208 PolarHBondContact O-N 3.49Å |
| 209 | G | 93.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -77.4 | -25.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R20 H205 Y211 | R20-G209 PolarHBondContact NH2-O 3.32Å; H205-G209 WeakPolarHBondContact O-CA 3.39Å; H205-G209 PolarHBondContact O-N 3.33Å; G209-Y211 VanDerWaalsContact C-N 3.28Å; G209-Y211 WeakPolarHBondContact O-CD2 3.32Å; G209-Y211 VanDerWaalsContact O-CE2 3.27Å; G209-Y211 WeakPolarHBondContact O-CE2 3.43Å; G209-Y211 PolarHBondContact O-N 3.43Å |
| 210 | G | 94.7 | Very high | 95.8 | Very high | 41 Ų | 41 | 62.8 Ų | 62.8 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | trans | 73.8 | 15.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E206 | E206-G210 WeakPolarHBondContact O-CA 3.27Å; E206-G210 PolarHBondContact O-N 3.12Å | ||
| 211 | Y | 97.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | trans | -140.5 | 133.8 | -178.8 | -55.4 | -77.3 | 0 | 0 | 0 | 110 | L181 S183 E184 A187 E206 G209 H215 L216 | L181-Y211 WeakPolarHBondContact CD1-OH 3.4Å; S183-Y211 PolarHBondContact OG-OH 3.1Å; S183-Y211 VanDerWaalsContact OG-OH 3.1Å; E184-Y211 HydrophobicContact CB-CE1 4.39Å; E184-Y211 HydrophobicContact CB-CE2 4.05Å; E184-Y211 HydrophobicContact CG-CE1 4.27Å; E184-Y211 HydrophobicContact CG-CE2 4.48Å; A187-Y211 HydrophobicContact CB-CD2 4.05Å; E206-Y211 WeakPolarHBondContact CA-O 3.44Å; E206-Y211 PolarHBondContact O-N 3.46Å; G209-Y211 VanDerWaalsContact C-N 3.28Å; G209-Y211 WeakPolarHBondContact O-CD2 3.32Å; G209-Y211 VanDerWaalsContact O-CE2 3.27Å; G209-Y211 WeakPolarHBondContact O-CE2 3.43Å; G209-Y211 PolarHBondContact O-N 3.43Å; Y211-H215 AromaticContact CD1-CD2 3.24Å; Y211-H215 WeakPolarHBondContact CD1-CD2 3.45Å; Y211-H215 AromaticContact CD1-NE2 3.41Å; Y211-H215 WeakPolarHBondContact CD1-NE2 3.46Å; Y211-H215 AromaticContact CE1-CD2 3.97Å; Y211-H215 AromaticContact CE1-NE2 3.64Å; Y211-H215 AromaticContact CG-CD2 3.94Å; Y211-L216 HydrophobicContact CD2-CD2 4.15Å; Y211-L216 HydrophobicContact CG-CD2 3.92Å; Y211-L216 HydrophobicContact CG-CG 4.49Å | ||
| 212 | N | 96.6 | Very high | 95.9 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | trans | -76.2 | 160.5 | 169.4 | 62.1 | 53.3 | 0 | 0 | 0 | 111.3 | E206 K214 H215 L216 | E206-N212 HydrophobicContact CG-CB 4.48Å; E206-N212 WeakPolarHBondContact OE1-CA 3.45Å; E206-N212 WeakPolarHBondContact OE1-CB 3.47Å; N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 3.05Å; N212-K214 PolarHBondContact OD1-N 2.85Å; N212-H215 WeakPolarHBondContact O-CB 3.4Å; N212-H215 PolarHBondContact O-N 3.39Å; N212-H215 WeakPolarHBondContact OD1-CB 3.33Å; N212-H215 PolarHBondContact OD1-N 2.79Å; N212-L216 PolarHBondContact O-N 2.99Å | ||
| 213 | E | 96.7 | Very high | 96.1 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.9 | -45.5 | -178 | -175 | 177.9 | 166.5 | 0 | 0 | 112.1 | L191 K195 W201 E206 H215 L216 L217 | L191-E213 HydrophobicContact CD1-CG 4.06Å; L191-E213 HydrophobicContact CD2-CG 4.07Å; K195-E213 WeakPolarHBondContact CE-OE1 3.26Å; K195-E213 IonicContact NZ-OE1 3.89Å; K195-E213 PolarHBondContact NZ-OE1 3.46Å; W201-E213 HydrophobicContact CG-CB 4.38Å; E206-E213 PolarHBondContact OE1-N 2.98Å; E213-H215 PolarHBondContact O-N 3.27Å; E213-L216 PolarHBondContact O-N 2.79Å; E213-L217 HydrophobicContact CG-CD2 4.48Å; E213-L217 HydrophobicContact CG-CG 4.32Å; E213-L217 WeakPolarHBondContact O-CG 3.24Å; E213-L217 PolarHBondContact O-N 2.85Å |
| 214 | K | 96.4 | Very high | 96.2 | Very high | 178 Ų | 178 | 56.9 Ų | 56.9 | 77% | 0.774 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -56.6 | -37.5 | -178.6 | -176.1 | 179.9 | 179 | 179.3 | 0 | 112.6 | N212 | N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 3.05Å; N212-K214 PolarHBondContact OD1-N 2.85Å |
| 215 | H | 97.9 | Very high | 96.2 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 176.9 | 179.7 | 82.4 | 0 | 0 | 0 | 112.3 | E184 Y211 N212 E213 P218 | E184-H215 IonicContact OE1-NE2 2.61Å; Y211-H215 AromaticContact CD1-CD2 3.24Å; Y211-H215 WeakPolarHBondContact CD1-CD2 3.45Å; Y211-H215 AromaticContact CD1-NE2 3.41Å; Y211-H215 WeakPolarHBondContact CD1-NE2 3.46Å; Y211-H215 AromaticContact CE1-CD2 3.97Å; Y211-H215 AromaticContact CE1-NE2 3.64Å; Y211-H215 AromaticContact CG-CD2 3.94Å; N212-H215 WeakPolarHBondContact O-CB 3.4Å; N212-H215 PolarHBondContact O-N 3.39Å; N212-H215 WeakPolarHBondContact OD1-CB 3.33Å; N212-H215 PolarHBondContact OD1-N 2.79Å; E213-H215 PolarHBondContact O-N 3.27Å; H215-P218 WeakPolarHBondContact O-CD 3.21Å |
| 216 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.9 | -26 | -176.3 | -64.5 | 174 | 0 | 0 | 0 | 113.4 | E184 A187 A188 L191 W201 Y211 N212 E213 L219 M220 | E184-L216 HydrophobicContact CG-CD2 4.08Å; A187-L216 HydrophobicContact CB-CD1 3.81Å; A187-L216 HydrophobicContact CB-CD2 3.89Å; A188-L216 HydrophobicContact CB-CD2 4.23Å; L191-L216 HydrophobicContact CD2-CB 3.55Å; L191-L216 HydrophobicContact CD2-CD1 4.2Å; W201-L216 HydrophobicContact CH2-CD1 4.22Å; W201-L216 HydrophobicContact CZ2-CD1 3.55Å; Y211-L216 HydrophobicContact CD2-CD2 4.15Å; Y211-L216 HydrophobicContact CG-CD2 3.92Å; Y211-L216 HydrophobicContact CG-CG 4.49Å; N212-L216 PolarHBondContact O-N 2.99Å; E213-L216 PolarHBondContact O-N 2.79Å; L216-L219 PolarHBondContact O-N 3.49Å; L216-L219 VanDerWaalsContact O-N 3.14Å; L216-M220 WeakPolarHBondContact O-CB 3.27Å; L216-M220 PolarHBondContact O-N 3.05Å |
| 217 | L | 97.3 | Very high | 95.9 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -50.5 | -45.8 | -175.3 | -78.2 | 175 | 0 | 0 | 0 | 114.6 | E213 L219 M220 W221 | E213-L217 HydrophobicContact CG-CD2 4.48Å; E213-L217 HydrophobicContact CG-CG 4.32Å; E213-L217 WeakPolarHBondContact O-CG 3.24Å; E213-L217 PolarHBondContact O-N 2.85Å; L217-L219 PolarHBondContact O-N 3.39Å; L217-M220 HydrophobicContact CD2-CE 3.79Å; L217-M220 HydrophobicContact CD2-SD 3.94Å; L217-M220 PolarHBondContact O-N 3.36Å; L217-W221 PolarHBondContact O-N 2.84Å |
| 218 | P | 97.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 178.8 | -24.8 | 35.6 | 0 | 0 | 0 | 113.4 | H215 K222 | H215-P218 WeakPolarHBondContact O-CD 3.21Å; P218-K222 PolarHBondContact O-N 3.45Å |
| 219 | L | 98.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 177.3 | 176.3 | 56 | 0 | 0 | 0 | 111.2 | F177 Y180 E184 L185 A188 L216 L217 W221 K222 L223 | F177-L219 HydrophobicContact CD1-CD1 3.91Å; F177-L219 HydrophobicContact CE1-CD1 3.87Å; Y180-L219 HydrophobicContact CD1-CD1 3.99Å; Y180-L219 HydrophobicContact CD1-CD2 3.7Å; Y180-L219 HydrophobicContact CD1-CG 4.33Å; Y180-L219 HydrophobicContact CD2-CD1 3.97Å; Y180-L219 HydrophobicContact CE1-CB 4.26Å; Y180-L219 HydrophobicContact CE1-CD1 3.81Å; Y180-L219 HydrophobicContact CE1-CD2 4.1Å; Y180-L219 HydrophobicContact CE1-CG 4.27Å; Y180-L219 HydrophobicContact CE2-CD1 3.79Å; Y180-L219 HydrophobicContact CG-CD1 4.05Å; Y180-L219 HydrophobicContact CG-CD2 4.06Å; E184-L219 HydrophobicContact CB-CD2 4.47Å; E184-L219 HydrophobicContact CG-CD2 3.85Å; L185-L219 HydrophobicContact CD2-CD1 4.23Å; L185-L219 HydrophobicContact CD2-CD2 4.2Å; A188-L219 HydrophobicContact CB-CB 4.1Å; A188-L219 HydrophobicContact CB-CD2 3.7Å; A188-L219 HydrophobicContact CB-CG 3.68Å; L216-L219 PolarHBondContact O-N 3.49Å; L216-L219 VanDerWaalsContact O-N 3.14Å; L217-L219 PolarHBondContact O-N 3.39Å; L219-W221 VanDerWaalsContact C-N 3.29Å; L219-W221 PolarHBondContact O-N 3.28Å; L219-K222 WeakPolarHBondContact O-CB 2.97Å; L219-K222 PolarHBondContact O-N 3.15Å; L219-K222 VanDerWaalsContact O-N 3.1Å; L219-L223 HydrophobicContact CD1-CD1 4.49Å; L219-L223 HydrophobicContact CD1-CG 4.34Å; L219-L223 HydrophobicContact CG-CD1 4.21Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.31Å |
| 220 | M | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.3 | -42.5 | 175.4 | -177.8 | -142.7 | 69.8 | 0 | 0 | 111.5 | L191 L192 K195 L216 L217 L223 N224 | L191-M220 HydrophobicContact CD2-CB 4.26Å; L191-M220 HydrophobicContact CD2-CG 4.26Å; L191-M220 HydrophobicContact CD2-SD 3.97Å; L191-M220 HydrophobicContact CG-CG 4.24Å; L191-M220 HydrophobicContact CG-SD 3.91Å; L192-M220 HydrophobicContact CB-CG 3.63Å; L192-M220 HydrophobicContact CD1-CG 4.17Å; L192-M220 HydrophobicContact CG-CG 4.39Å; K195-M220 HydrophobicContact CD-CE 4.45Å; K195-M220 HydrophobicContact CD-SD 3.61Å; L216-M220 WeakPolarHBondContact O-CB 3.27Å; L216-M220 PolarHBondContact O-N 3.05Å; L217-M220 HydrophobicContact CD2-CE 3.79Å; L217-M220 HydrophobicContact CD2-SD 3.94Å; L217-M220 PolarHBondContact O-N 3.36Å; M220-L223 PolarHBondContact O-N 3.09Å; M220-N224 WeakPolarHBondContact O-CB 3.45Å; M220-N224 PolarHBondContact O-N 2.94Å |
| 221 | W | 97.5 | Very high | 94.1 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 176.2 | -79.1 | 122.4 | 0 | 0 | 0 | 113.3 | L217 L219 N224 G225 L257 N259 | L217-W221 PolarHBondContact O-N 2.84Å; L219-W221 VanDerWaalsContact C-N 3.29Å; L219-W221 PolarHBondContact O-N 3.28Å; W221-N224 HydrophobicContact CE3-CB 4.08Å; W221-N224 WeakPolarHBondContact O-CB 3.35Å; W221-N224 PolarHBondContact O-N 3.33Å; W221-G225 PolarHBondContact O-N 3.23Å; W221-L257 HydrophobicContact CH2-CB 3.93Å; W221-L257 HydrophobicContact CZ3-CB 3.8Å; W221-N259 HydrophobicContact CE3-CB 4.28Å; W221-N259 VanDerWaalsContact CH2-CA 3.46Å; W221-N259 HydrophobicContact CH2-CB 3.81Å; W221-N259 HydrophobicContact CZ2-CB 4.2Å; W221-N259 HydrophobicContact CZ3-CB 3.83Å |
| 222 | K | 96.5 | Very high | 93 | Very high | 113 Ų | 113 | 55.1 Ų | 55.1 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 171.4 | -68.1 | -178.5 | -178.5 | -168.8 | 0 | 111.4 | F177 Y180 P218 L219 N224 G225 | F177-K222 HydrophobicContact CE1-CB 4.06Å; F177-K222 HydrophobicContact CZ-CB 4.05Å; Y180-K222 WeakPolarHBondContact OH-CD 3.19Å; Y180-K222 WeakPolarHBondContact OH-CE 3.41Å; Y180-K222 PolarHBondContact OH-NZ 3.39Å; P218-K222 PolarHBondContact O-N 3.45Å; L219-K222 WeakPolarHBondContact O-CB 2.97Å; L219-K222 PolarHBondContact O-N 3.15Å; L219-K222 VanDerWaalsContact O-N 3.1Å; K222-N224 VanDerWaalsContact C-N 3.31Å; K222-N224 PolarHBondContact O-N 3Å; K222-G225 PolarHBondContact O-N 3.47Å |
| 223 | L | 97.8 | Very high | 92 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 175.7 | -69.4 | 169.7 | 0 | 0 | 0 | 111.9 | I167 F177 A188 L192 L219 M220 G225 L226 | I167-L223 HydrophobicContact CG2-CB 3.93Å; I167-L223 HydrophobicContact CG2-CD1 4.3Å; I167-L223 HydrophobicContact CG2-CD2 4.35Å; I167-L223 HydrophobicContact CG2-CG 4.43Å; F177-L223 HydrophobicContact CD1-CD2 3.85Å; F177-L223 HydrophobicContact CE1-CD2 3.45Å; F177-L223 VanDerWaalsContact CE1-CD2 3.45Å; F177-L223 HydrophobicContact CE1-CG 3.87Å; F177-L223 HydrophobicContact CZ-CD2 4.13Å; A188-L223 HydrophobicContact CB-CD1 3.76Å; L192-L223 HydrophobicContact CD2-CB 4.02Å; L219-L223 HydrophobicContact CD1-CD1 4.49Å; L219-L223 HydrophobicContact CD1-CG 4.34Å; L219-L223 HydrophobicContact CG-CD1 4.21Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.31Å; M220-L223 PolarHBondContact O-N 3.09Å; L223-G225 PolarHBondContact O-N 3.38Å; L223-L226 HydrophobicContact CD2-CD1 4.21Å; L223-L226 VanDerWaalsContact O-CB 3.32Å; L223-L226 WeakPolarHBondContact O-CB 3.47Å; L223-L226 PolarHBondContact O-N 2.85Å |
| 224 | N | 97.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -34.7 | 175.9 | -173.8 | 69.7 | 0 | 0 | 0 | 112.3 | L192 M220 W221 K222 L226 I227 P256 L257 | L192-N224 HydrophobicContact CD1-CB 3.97Å; L192-N224 HydrophobicContact CD2-CB 3.91Å; M220-N224 WeakPolarHBondContact O-CB 3.45Å; M220-N224 PolarHBondContact O-N 2.94Å; W221-N224 HydrophobicContact CE3-CB 4.08Å; W221-N224 WeakPolarHBondContact O-CB 3.35Å; W221-N224 PolarHBondContact O-N 3.33Å; K222-N224 VanDerWaalsContact C-N 3.31Å; K222-N224 PolarHBondContact O-N 3Å; N224-L226 PolarHBondContact O-N 3.32Å; N224-I227 PolarHBondContact O-N 3.47Å; N224-P256 WeakPolarHBondContact OD1-CA 3.19Å; N224-L257 PolarHBondContact ND2-O 3.2Å; N224-L257 PolarHBondContact OD1-N 2.61Å |
| 225 | G | 94.1 | Very high | 90.4 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | W221 K222 L223 | W221-G225 PolarHBondContact O-N 3.23Å; K222-G225 PolarHBondContact O-N 3.47Å; L223-G225 PolarHBondContact O-N 3.38Å |
| 226 | L | 93.3 | Very high | 89.8 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.9 | -179.2 | -55.7 | -172.2 | 0 | 0 | 0 | 113.5 | N170 Y174 F177 L223 N224 D228 A229 | N170-L226 HydrophobicContact CB-CB 4.29Å; N170-L226 HydrophobicContact CB-CD1 4.21Å; Y174-L226 HydrophobicContact CD2-CD1 3.89Å; Y174-L226 HydrophobicContact CD2-CD2 3.65Å; Y174-L226 HydrophobicContact CD2-CG 4.36Å; Y174-L226 HydrophobicContact CE2-CD1 4.23Å; Y174-L226 HydrophobicContact CE2-CD2 3.57Å; Y174-L226 HydrophobicContact CE2-CG 4.33Å; Y174-L226 HydrophobicContact CG-CD2 4.21Å; F177-L226 HydrophobicContact CD2-CD1 4.47Å; F177-L226 HydrophobicContact CE1-CD1 4.47Å; F177-L226 HydrophobicContact CE2-CD1 3.72Å; F177-L226 HydrophobicContact CE2-CD2 3.98Å; F177-L226 HydrophobicContact CE2-CG 4.23Å; F177-L226 HydrophobicContact CZ-CD1 3.71Å; F177-L226 HydrophobicContact CZ-CD2 4.16Å; F177-L226 HydrophobicContact CZ-CG 4.06Å; L223-L226 HydrophobicContact CD2-CD1 4.21Å; L223-L226 VanDerWaalsContact O-CB 3.32Å; L223-L226 WeakPolarHBondContact O-CB 3.47Å; L223-L226 PolarHBondContact O-N 2.85Å; N224-L226 PolarHBondContact O-N 3.32Å; L226-D228 PolarHBondContact O-N 2.93Å; L226-A229 PolarHBondContact O-N 3.31Å |
| 227 | I | 92.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -39.5 | -174.4 | -67.8 | 172.2 | 0 | 0 | 0 | 111.7 | L192 L196 N224 V254 P256 | L192-I227 HydrophobicContact CD2-CD1 4.2Å; L196-I227 HydrophobicContact CD1-CD1 3.93Å; N224-I227 PolarHBondContact O-N 3.47Å; I227-V254 HydrophobicContact CD1-CG1 4.36Å; I227-V254 HydrophobicContact CG2-CG1 3.91Å; I227-V254 WeakPolarHBondContact CG2-O 3.21Å; I227-P256 HydrophobicContact CB-CB 4.32Å; I227-P256 HydrophobicContact CD1-CB 4.47Å |
| 228 | D | 86.5 | Confident | 89.3 | Confident | 99 Ų | 99 | 50.3 Ų | 50.3 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 11.5 | 179.1 | -78.3 | -20.3 | 0 | 0 | 0 | 112.7 | L226 P230 P256 | L226-D228 PolarHBondContact O-N 2.93Å; D228-P230 WeakPolarHBondContact O-CD 3.35Å; D228-P256 HydrophobicContact CB-CG 4.42Å; D228-P256 WeakPolarHBondContact OD2-CD 3.45Å; D228-P256 WeakPolarHBondContact OD2-CG 3.43Å |
| 229 | A | 84.5 | Confident | 89.2 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | trans | -66.3 | 125.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y174 L226 | Y174-A229 WeakPolarHBondContact OH-CB 3.48Å; L226-A229 PolarHBondContact O-N 3.31Å | ||
| 230 | P | 77.8 | Confident | 89 | Confident | 105 Ų | 105 | 50.2 Ų | 50.2 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | trans | -66.8 | 149.1 | 170.2 | 28.3 | -32.4 | 0 | 0 | 0 | 109.5 | D228 P232 | D228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-P232 WeakPolarHBondContact O-CD 3.48Å | ||
| 231 | L | 83.8 | Confident | 88.8 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | trans | -112.7 | 83.8 | 170.5 | -69.1 | 175.8 | 0 | 0 | 0 | 109 | T44 L173 Y174 G233 I234 N237 | T44-L231 HydrophobicContact CG2-CD2 3.85Å; L173-L231 HydrophobicContact CD1-CD1 3.75Å; L173-L231 HydrophobicContact CD1-CD2 4.19Å; Y174-L231 HydrophobicContact CE1-CD2 4.31Å; Y174-L231 HydrophobicContact CE2-CD2 4.39Å; Y174-L231 WeakPolarHBondContact OH-CD2 3.48Å; L231-G233 PolarHBondContact O-N 3.48Å; L231-I234 HydrophobicContact CB-CB 3.88Å; L231-I234 HydrophobicContact CB-CD1 4.05Å; L231-I234 HydrophobicContact CB-CG1 4.36Å; L231-I234 HydrophobicContact CB-CG2 4.45Å; L231-I234 HydrophobicContact CD1-CD1 4.11Å; L231-I234 HydrophobicContact CD1-CG2 4.4Å; L231-I234 HydrophobicContact CD2-CD1 4.36Å; L231-I234 HydrophobicContact CG-CD1 4.42Å; L231-I234 PolarHBondContact O-N 2.98Å; L231-I234 VanDerWaalsContact O-N 3.14Å; L231-N237 HydrophobicContact CD1-CB 3.95Å; L231-N237 WeakPolarHBondContact CD1-ND2 3.5Å | ||
| 232 | P | 74.2 | Confident | 88.7 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 134.8 | -179.3 | -20.9 | 31.7 | 0 | 0 | 0 | 110.6 | H41 P230 I234 | H41-P232 PolarHBondContact CE1-O 2.85Å; P230-P232 WeakPolarHBondContact O-CD 3.48Å; P232-I234 PolarHBondContact O-N 3.43Å |
| 233 | G | 76.3 | Confident | 88.7 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 76% | 0.763 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -8.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L231 | L231-G233 PolarHBondContact O-N 3.48Š|
| 234 | I | 80.8 | Confident | 88.6 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | trans | -97.4 | 107.4 | 170 | -65.7 | 174.3 | 0 | 0 | 0 | 107.1 | T44 I45 D48 L231 P232 V236 | T44-I234 HydrophobicContact CG2-CD1 3.62Å; I45-I234 HydrophobicContact CG1-CD1 4.18Å; I45-I234 HydrophobicContact CG1-CG1 3.92Å; D48-I234 HydrophobicContact CB-CD1 4.35Å; L231-I234 HydrophobicContact CB-CB 3.88Å; L231-I234 HydrophobicContact CB-CD1 4.05Å; L231-I234 HydrophobicContact CB-CG1 4.36Å; L231-I234 HydrophobicContact CB-CG2 4.45Å; L231-I234 HydrophobicContact CD1-CD1 4.11Å; L231-I234 HydrophobicContact CD1-CG2 4.4Å; L231-I234 HydrophobicContact CD2-CD1 4.36Å; L231-I234 HydrophobicContact CG-CD1 4.42Å; L231-I234 PolarHBondContact O-N 2.98Å; L231-I234 VanDerWaalsContact O-N 3.14Å; P232-I234 PolarHBondContact O-N 3.43Å; I234-V236 VanDerWaalsContact C-N 3.29Å; I234-V236 WeakPolarHBondContact CG2-O 3.32Å | ||
| 235 | S | 77.5 | Confident | 88.5 | Confident | 125 Ų | 125 | 53.7 Ų | 53.7 | 87% | 0.874 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -68.8 | -31.8 | 179.6 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 236 | V | 85.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 55.8 Ų | 55.8 | 35% | 0.352 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -132.5 | 109.6 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | D48 I234 H238 L241 | D48-V236 VanDerWaalsContact OD2-O 3.06Å; I234-V236 VanDerWaalsContact C-N 3.29Å; I234-V236 WeakPolarHBondContact CG2-O 3.32Å; V236-H238 PolarHBondContact O-N 3.1Å; V236-H238 PolarHBondContact O-ND1 3.3Å; V236-L241 HydrophobicContact CG1-CD1 3.27Å; V236-L241 HydrophobicContact CG1-CG 4.25Å |
| 237 | N | 91.4 | Very high | 88.5 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 16% | 0.16 | 37% | 0.366 | C | S | . | . | trans | -82.2 | 100.3 | 172.2 | 177.9 | -23.2 | 0 | 0 | 0 | 108.3 | L231 I239 K240 L241 | L231-N237 HydrophobicContact CD1-CB 3.95Å; L231-N237 WeakPolarHBondContact CD1-ND2 3.5Å; N237-I239 VanDerWaalsContact C-N 3.31Å; N237-I239 PolarHBondContact O-N 2.81Å; N237-I239 PolarHBondContact OD1-N 3.08Å; N237-K240 HydrophobicContact CB-CB 3.96Å; N237-K240 VanDerWaalsContact CG-CB 3.5Å; N237-K240 PolarHBondContact O-N 3.14Å; N237-K240 PolarHBondContact OD1-N 2.99Å; N237-L241 PolarHBondContact O-N 3.36Å | ||
| 238 | H | 94.5 | Very high | 88.6 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 19% | 0.194 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.2 | -34 | -173.8 | -71 | 95.3 | 0 | 0 | 0 | 112.2 | D48 V51 E52 V236 L241 K242 | D48-H238 PolarHBondContact OD1-N 3.35Å; D48-H238 IonicContact OD1-ND1 2.6Å; D48-H238 IonicContact OD2-CE1 3.18Å; D48-H238 IonicContact OD2-CG 2.71Å; D48-H238 IonicContact OD2-ND1 3.15Å; D48-H238 PolarHBondContact OD2-ND1 3.47Å; V51-H238 HydrophobicContact CB-CB 4.35Å; V51-H238 HydrophobicContact CG1-CB 4.12Å; E52-H238 HydrophobicContact CB-CB 4.46Å; E52-H238 IonicContact OE2-CE1 2.79Å; E52-H238 PolarHBondContact OE2-CE1 3.47Å; E52-H238 IonicContact OE2-NE2 2.69Å; V236-H238 PolarHBondContact O-N 3.1Å; V236-H238 PolarHBondContact O-ND1 3.3Å; H238-L241 PolarHBondContact O-N 2.85Å; H238-K242 VanDerWaalsContact O-CB 3.29Å; H238-K242 WeakPolarHBondContact O-CB 3.43Å; H238-K242 PolarHBondContact O-N 3.35Å |
| 239 | I | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -50.6 | 173.2 | -59.1 | 178.4 | 0 | 0 | 0 | 109.7 | V51 Y166 E169 L173 N237 L241 K242 Y243 | V51-I239 HydrophobicContact CB-CG1 4.22Å; V51-I239 HydrophobicContact CG1-CG1 3.93Å; V51-I239 HydrophobicContact CG2-CD1 4.05Å; V51-I239 HydrophobicContact CG2-CG1 3.66Å; Y166-I239 HydrophobicContact CD2-CG2 4.03Å; Y166-I239 HydrophobicContact CE2-CG2 4.14Å; E169-I239 HydrophobicContact CB-CG2 4.21Å; E169-I239 HydrophobicContact CG-CD1 4.11Å; E169-I239 HydrophobicContact CG-CG1 4.3Å; E169-I239 HydrophobicContact CG-CG2 4.28Å; E169-I239 WeakPolarHBondContact O-CD1 3.34Å; L173-I239 HydrophobicContact CD1-CD1 3.77Å; L173-I239 HydrophobicContact CD2-CD1 3.81Å; L173-I239 HydrophobicContact CG-CD1 3.55Å; N237-I239 VanDerWaalsContact C-N 3.31Å; N237-I239 PolarHBondContact O-N 2.81Å; N237-I239 PolarHBondContact OD1-N 3.08Å; I239-L241 VanDerWaalsContact C-N 3.33Å; I239-L241 PolarHBondContact O-N 2.83Å; I239-K242 WeakPolarHBondContact O-CB 3.47Å; I239-K242 PolarHBondContact O-N 2.87Å; I239-Y243 HydrophobicContact CG2-CD2 3.9Å; I239-Y243 HydrophobicContact CG2-CE2 4.08Å; I239-Y243 VanDerWaalsContact O-CD2 3.27Å; I239-Y243 WeakPolarHBondContact O-CD2 3.38Å; I239-Y243 PolarHBondContact O-N 3.35Å |
| 240 | K | 94.1 | Very high | 89.7 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 35% | 0.348 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 179.9 | -168.9 | 165.2 | -172.4 | 160.4 | 0 | 111.1 | N237 Y243 M244 A252 | N237-K240 HydrophobicContact CB-CB 3.96Å; N237-K240 VanDerWaalsContact CG-CB 3.5Å; N237-K240 PolarHBondContact O-N 3.14Å; N237-K240 PolarHBondContact OD1-N 2.99Å; K240-Y243 PolarHBondContact O-N 3.27Å; K240-M244 HydrophobicContact CG-CG 4.29Å; K240-M244 WeakPolarHBondContact O-CB 3.29Å; K240-M244 WeakPolarHBondContact O-CG 3.42Å; K240-M244 PolarHBondContact O-N 2.97Å; K240-A252 HydrophobicContact CG-CB 4.13Å |
| 241 | L | 93.9 | Very high | 90.6 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -46.9 | 176.8 | -74 | -173.4 | 0 | 0 | 0 | 112.8 | V236 N237 H238 I239 Y243 M244 N245 | V236-L241 HydrophobicContact CG1-CD1 3.27Å; V236-L241 HydrophobicContact CG1-CG 4.25Å; N237-L241 PolarHBondContact O-N 3.36Å; H238-L241 PolarHBondContact O-N 2.85Å; I239-L241 VanDerWaalsContact C-N 3.33Å; I239-L241 PolarHBondContact O-N 2.83Å; L241-Y243 PolarHBondContact O-N 3.21Å; L241-M244 PolarHBondContact O-N 3.4Å; L241-N245 PolarHBondContact O-N 3.4Å |
| 242 | K | 94.9 | Very high | 91.2 | Very high | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.9 | -52.3 | 176.1 | 173.7 | 179.2 | -178.5 | 173.3 | 0 | 111.7 | V51 E55 H61 E169 H238 I239 M244 N245 F248 | V51-K242 HydrophobicContact CG1-CD 4.42Å; E55-K242 HydrophobicContact CG-CD 4.13Å; E55-K242 WeakPolarHBondContact OE1-CD 3.49Å; E55-K242 WeakPolarHBondContact OE1-CE 3.34Å; E55-K242 IonicContact OE1-NZ 2.75Å; E55-K242 PolarHBondContact OE1-NZ 2.98Å; H61-K242 PolarHBondContact CE1-NZ 3.48Å; E169-K242 IonicContact OE1-NZ 3.02Å; E169-K242 PolarHBondContact OE1-NZ 3.46Å; E169-K242 IonicContact OE2-NZ 3.98Å; H238-K242 VanDerWaalsContact O-CB 3.29Å; H238-K242 WeakPolarHBondContact O-CB 3.43Å; H238-K242 PolarHBondContact O-N 3.35Å; I239-K242 WeakPolarHBondContact O-CB 3.47Å; I239-K242 PolarHBondContact O-N 2.87Å; K242-M244 VanDerWaalsContact C-N 3.3Å; K242-M244 PolarHBondContact O-N 2.79Å; K242-N245 VanDerWaalsContact O-CB 3.26Å; K242-N245 WeakPolarHBondContact O-CB 3.26Å; K242-N245 PolarHBondContact O-N 2.83Å; K242-F248 HydrophobicContact CG-CD2 4.27Å; K242-F248 HydrophobicContact CG-CE2 3.85Å; K242-F248 HydrophobicContact CG-CZ 4.08Å; K242-F248 WeakPolarHBondContact O-CD2 3.25Å |
| 243 | Y | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -82 | -3.4 | -177.2 | -71.6 | -85.3 | 0 | 0 | 0 | 114.6 | T162 R165 Y166 E169 I239 K240 L241 N245 F248 E250 V251 A252 | T162-Y243 HydrophobicContact CG2-CD1 4.14Å; T162-Y243 HydrophobicContact CG2-CE1 4.11Å; R165-Y243 HydrophobicContact CB-CE1 4.31Å; R165-Y243 WeakPolarHBondContact CD-OH 3.46Å; R165-Y243 HydrophobicContact CG-CE1 4.41Å; R165-Y243 WeakPolarHBondContact CG-OH 3.49Å; Y166-Y243 HydrophobicContact CD2-CD1 4.37Å; Y166-Y243 AromaticContact CD2-CD2 3.6Å; Y166-Y243 HydrophobicContact CD2-CD2 3.6Å; Y166-Y243 HydrophobicContact CD2-CE2 4.41Å; Y166-Y243 AromaticContact CD2-CG 3.57Å; Y166-Y243 HydrophobicContact CD2-CG 3.57Å; Y166-Y243 HydrophobicContact CG-CD1 4.4Å; Y166-Y243 HydrophobicContact CG-CD2 4.35Å; Y166-Y243 HydrophobicContact CG-CG 4.03Å; E169-Y243 HydrophobicContact CB-CE2 4.23Å; E169-Y243 HydrophobicContact CG-CE2 4.42Å; E169-Y243 WeakPolarHBondContact OE2-CE2 3.34Å; E169-Y243 PolarHBondContact OE2-OH 3.29Å; I239-Y243 HydrophobicContact CG2-CD2 3.9Å; I239-Y243 HydrophobicContact CG2-CE2 4.08Å; I239-Y243 VanDerWaalsContact O-CD2 3.27Å; I239-Y243 WeakPolarHBondContact O-CD2 3.38Å; I239-Y243 PolarHBondContact O-N 3.35Å; K240-Y243 PolarHBondContact O-N 3.27Å; L241-Y243 PolarHBondContact O-N 3.21Å; Y243-N245 VanDerWaalsContact C-N 3.34Å; Y243-F248 HydrophobicContact CD1-CB 4Å; Y243-F248 AromaticContact CD1-CD1 3.98Å; Y243-F248 HydrophobicContact CD1-CD1 3.98Å; Y243-F248 HydrophobicContact CD1-CG 4.16Å; Y243-F248 AromaticContact CE1-CD1 3.85Å; Y243-F248 HydrophobicContact CE1-CD1 3.85Å; Y243-F248 HydrophobicContact CE1-CE1 4.37Å; Y243-F248 HydrophobicContact CE1-CG 4.47Å; Y243-E250 CarbonylContact O-C 3.25Å; Y243-E250 VanDerWaalsContact O-C 3.25Å; Y243-E250 VanDerWaalsContact O-CA 3.25Å; Y243-E250 WeakPolarHBondContact O-CA 3.43Å; Y243-V251 HydrophobicContact CD1-CG2 3.69Å; Y243-V251 HydrophobicContact CG-CG2 4.26Å; Y243-V251 PolarHBondContact O-N 3.26Å; Y243-V251 VanDerWaalsContact O-N 3.16Å; Y243-A252 PolarHBondContact O-N 3.37Å |
| 244 | M | 95.5 | Very high | 93.1 | Very high | 68 Ų | 68 | 55.7 Ų | 55.7 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -81.7 | -15.1 | 165.9 | -78.5 | -65.1 | -64.7 | 0 | 0 | 112.3 | K240 L241 K242 E250 A252 K253 | K240-M244 HydrophobicContact CG-CG 4.29Å; K240-M244 WeakPolarHBondContact O-CB 3.29Å; K240-M244 WeakPolarHBondContact O-CG 3.42Å; K240-M244 PolarHBondContact O-N 2.97Å; L241-M244 PolarHBondContact O-N 3.4Å; K242-M244 VanDerWaalsContact C-N 3.3Å; K242-M244 PolarHBondContact O-N 2.79Å; M244-E250 WeakPolarHBondContact O-CG 3.4Å; M244-A252 HydrophobicContact CG-CB 3.75Å; M244-A252 HydrophobicContact SD-CB 3.78Å; M244-K253 HydrophobicContact CE-CD 4.21Å; M244-K253 VanDerWaalsContact CE-CE 3.48Å; M244-K253 HydrophobicContact CE-CG 3.65Å; M244-K253 HydrophobicContact SD-CG 3.51Å; M244-K253 VanDerWaalsContact SD-CG 3.51Å |
| 245 | N | 94.8 | Very high | 93.8 | Very high | 83 Ų | 83 | 62.4 Ų | 62.4 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -69.2 | 141.2 | 177.6 | -170.8 | -47.4 | 0 | 0 | 0 | 111 | L241 K242 Y243 A247 F248 E250 | L241-N245 PolarHBondContact O-N 3.4Å; K242-N245 VanDerWaalsContact O-CB 3.26Å; K242-N245 WeakPolarHBondContact O-CB 3.26Å; K242-N245 PolarHBondContact O-N 2.83Å; Y243-N245 VanDerWaalsContact C-N 3.34Å; N245-A247 PolarHBondContact O-N 3.08Å; N245-A247 WeakPolarHBondContact OD1-CB 3.38Å; N245-A247 PolarHBondContact OD1-N 3.09Å; N245-F248 HydrophobicContact CB-CD2 4.29Å; N245-F248 CarbonylContact O-C 3.55Å; N245-F248 WeakPolarHBondContact O-CA 3.48Å; N245-F248 PolarHBondContact O-N 3.29Å; N245-E250 PolarHBondContact O-N 3.01Å |
| 246 | S | 94.7 | Very high | 94.7 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -55 | -29.7 | 175.4 | 64.1 | 0 | 0 | 0 | 0 | 114.4 | F248 F249 | S246-F248 PolarHBondContact O-N 3.43Å; S246-F249 PolarHBondContact O-N 2.99Å |
| 247 | A | 93.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -61.7 | -23.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N245 | N245-A247 PolarHBondContact O-N 3.08Å; N245-A247 WeakPolarHBondContact OD1-CB 3.38Å; N245-A247 PolarHBondContact OD1-N 3.09Å |
| 248 | F | 95.2 | Very high | 95.1 | Very high | 37 Ų | 37 | 65 Ų | 65 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -106.5 | 21.5 | 175.4 | -66.1 | -83.8 | 0 | 0 | 0 | 112.5 | T162 K242 Y243 N245 S246 E250 V251 | T162-F248 HydrophobicContact CG2-CB 3.98Å; T162-F248 HydrophobicContact CG2-CD1 3.98Å; T162-F248 HydrophobicContact CG2-CG 4.5Å; T162-F248 WeakPolarHBondContact CG2-O 3.16Å; K242-F248 HydrophobicContact CG-CD2 4.27Å; K242-F248 HydrophobicContact CG-CE2 3.85Å; K242-F248 HydrophobicContact CG-CZ 4.08Å; K242-F248 WeakPolarHBondContact O-CD2 3.25Å; Y243-F248 HydrophobicContact CD1-CB 4Å; Y243-F248 AromaticContact CD1-CD1 3.98Å; Y243-F248 HydrophobicContact CD1-CD1 3.98Å; Y243-F248 HydrophobicContact CD1-CG 4.16Å; Y243-F248 AromaticContact CE1-CD1 3.85Å; Y243-F248 HydrophobicContact CE1-CD1 3.85Å; Y243-F248 HydrophobicContact CE1-CE1 4.37Å; Y243-F248 HydrophobicContact CE1-CG 4.47Å; N245-F248 HydrophobicContact CB-CD2 4.29Å; N245-F248 CarbonylContact O-C 3.55Å; N245-F248 WeakPolarHBondContact O-CA 3.48Å; N245-F248 PolarHBondContact O-N 3.29Å; S246-F248 PolarHBondContact O-N 3.43Å; F248-E250 PolarHBondContact O-N 3.44Å; F248-E250 VanDerWaalsContact O-N 3.07Å; F248-V251 WeakPolarHBondContact O-CG1 2.94Å; F248-V251 PolarHBondContact O-N 2.96Å |
| 249 | F | 96.9 | Very high | 94.4 | Very high | 98 Ų | 98 | 65.5 Ų | 65.5 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 19.3 | 179.7 | -45.7 | -82 | 0 | 0 | 0 | 114.4 | M158 V159 T162 S246 V251 | M158-F249 HydrophobicContact CB-CZ 4.46Å; M158-F249 HydrophobicContact CG-CE2 3.81Å; M158-F249 HydrophobicContact CG-CZ 3.95Å; V159-F249 HydrophobicContact CG1-CB 4.19Å; V159-F249 HydrophobicContact CG1-CG 4.39Å; V159-F249 HydrophobicContact CG2-CD1 3.86Å; V159-F249 HydrophobicContact CG2-CD2 4.24Å; V159-F249 HydrophobicContact CG2-CE1 4.08Å; V159-F249 HydrophobicContact CG2-CE2 4.46Å; V159-F249 HydrophobicContact CG2-CG 3.95Å; V159-F249 HydrophobicContact CG2-CZ 4.38Å; T162-F249 HydrophobicContact CG2-CD2 4.09Å; S246-F249 PolarHBondContact O-N 2.99Å; F249-V251 HydrophobicContact CB-CG1 4.15Å; F249-V251 PolarHBondContact O-N 2.93Å; F249-V251 VanDerWaalsContact O-N 3.1Å |
| 250 | E | 96.8 | Very high | 93.1 | Very high | 78 Ų | 78 | 70 Ų | 70 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 31.7 | 179.8 | -43 | -176.5 | 118.1 | 0 | 0 | 113.4 | Y243 M244 N245 F248 A252 K253 | Y243-E250 CarbonylContact O-C 3.25Å; Y243-E250 VanDerWaalsContact O-C 3.25Å; Y243-E250 VanDerWaalsContact O-CA 3.25Å; Y243-E250 WeakPolarHBondContact O-CA 3.43Å; M244-E250 WeakPolarHBondContact O-CG 3.4Å; N245-E250 PolarHBondContact O-N 3.01Å; F248-E250 PolarHBondContact O-N 3.44Å; F248-E250 VanDerWaalsContact O-N 3.07Å; E250-A252 PolarHBondContact O-N 3.31Å; E250-K253 HydrophobicContact CB-CD 3.91Å; E250-K253 HydrophobicContact CB-CG 4.25Å; E250-K253 WeakPolarHBondContact O-CB 3.45Å; E250-K253 WeakPolarHBondContact O-CG 3.4Å; E250-K253 PolarHBondContact O-N 3.36Å; E250-K253 IonicContact OE1-NZ 3.65Å; E250-K253 PolarHBondContact OE1-NZ 3.03Å; E250-K253 WeakPolarHBondContact OE2-CE 3.48Å; E250-K253 IonicContact OE2-NZ 2.75Å; E250-K253 PolarHBondContact OE2-NZ 3.2Å |
| 251 | V | 97.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 73.2 Ų | 73.2 | 7% | 0.073 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -60 | -19.6 | -174.8 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | V159 T162 L163 Y166 Y243 F248 F249 K253 V254 | V159-V251 HydrophobicContact CG1-CG1 4.45Å; T162-V251 HydrophobicContact CG2-CG1 4.34Å; T162-V251 HydrophobicContact CG2-CG2 4.08Å; L163-V251 HydrophobicContact CB-CB 4.09Å; L163-V251 HydrophobicContact CB-CG1 3.97Å; L163-V251 HydrophobicContact CD1-CB 4.12Å; Y166-V251 HydrophobicContact CG-CG2 4.32Å; Y243-V251 HydrophobicContact CD1-CG2 3.69Å; Y243-V251 HydrophobicContact CG-CG2 4.26Å; Y243-V251 PolarHBondContact O-N 3.26Å; Y243-V251 VanDerWaalsContact O-N 3.16Å; F248-V251 WeakPolarHBondContact O-CG1 2.94Å; F248-V251 PolarHBondContact O-N 2.96Å; F249-V251 HydrophobicContact CB-CG1 4.15Å; F249-V251 PolarHBondContact O-N 2.93Å; F249-V251 VanDerWaalsContact O-N 3.1Å; V251-K253 PolarHBondContact O-N 2.89Å; V251-V254 VanDerWaalsContact O-CB 3.26Å; V251-V254 WeakPolarHBondContact O-CB 3.43Å; V251-V254 WeakPolarHBondContact O-CG1 3.12Å; V251-V254 PolarHBondContact O-N 3.18Å; V251-V254 VanDerWaalsContact O-N 3.15Å |
| 252 | A | 95.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 70.8 Ų | 70.8 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -68.7 | -7.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y166 K240 Y243 M244 E250 V254 | Y166-A252 HydrophobicContact CD2-CB 4.35Å; Y166-A252 HydrophobicContact CE1-CB 4.36Å; Y166-A252 HydrophobicContact CE2-CB 3.83Å; K240-A252 HydrophobicContact CG-CB 4.13Å; Y243-A252 PolarHBondContact O-N 3.37Å; M244-A252 HydrophobicContact CG-CB 3.75Å; M244-A252 HydrophobicContact SD-CB 3.78Å; E250-A252 PolarHBondContact O-N 3.31Å; A252-V254 VanDerWaalsContact C-N 3.26Å |
| 253 | K | 95.1 | Very high | 87.6 | Confident | 113 Ų | 113 | 75.9 Ų | 75.9 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -78.1 | -9.2 | 170 | -65.2 | -178.5 | -177.7 | 172.7 | 0 | 113.4 | M244 E250 V251 | M244-K253 HydrophobicContact CE-CD 4.21Å; M244-K253 VanDerWaalsContact CE-CE 3.48Å; M244-K253 HydrophobicContact CE-CG 3.65Å; M244-K253 HydrophobicContact SD-CG 3.51Å; M244-K253 VanDerWaalsContact SD-CG 3.51Å; E250-K253 HydrophobicContact CB-CD 3.91Å; E250-K253 HydrophobicContact CB-CG 4.25Å; E250-K253 WeakPolarHBondContact O-CB 3.45Å; E250-K253 WeakPolarHBondContact O-CG 3.4Å; E250-K253 PolarHBondContact O-N 3.36Å; E250-K253 IonicContact OE1-NZ 3.65Å; E250-K253 PolarHBondContact OE1-NZ 3.03Å; E250-K253 WeakPolarHBondContact OE2-CE 3.48Å; E250-K253 IonicContact OE2-NZ 2.75Å; E250-K253 PolarHBondContact OE2-NZ 3.2Å; V251-K253 PolarHBondContact O-N 2.89Å |
| 254 | V | 96.2 | Very high | 85 | Confident | 34 Ų | 34 | 79.3 Ų | 79.3 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -59 | 148.9 | 179.5 | 75.2 | 0 | 0 | 0 | 0 | 111.1 | L163 Y166 L196 I227 V251 A252 | L163-V254 HydrophobicContact CD1-CB 4.24Å; L163-V254 HydrophobicContact CD1-CG1 3.79Å; L163-V254 HydrophobicContact CD1-CG2 4.43Å; L163-V254 HydrophobicContact CD2-CG2 4.46Å; Y166-V254 HydrophobicContact CE1-CG1 4.4Å; L196-V254 HydrophobicContact CB-CG2 4.49Å; L196-V254 HydrophobicContact CD1-CG2 4.03Å; L196-V254 HydrophobicContact CD2-CG2 3.96Å; L196-V254 HydrophobicContact CG-CG2 4.4Å; I227-V254 HydrophobicContact CD1-CG1 4.36Å; I227-V254 HydrophobicContact CG2-CG1 3.91Å; I227-V254 WeakPolarHBondContact CG2-O 3.21Å; V251-V254 VanDerWaalsContact O-CB 3.26Å; V251-V254 WeakPolarHBondContact O-CB 3.43Å; V251-V254 WeakPolarHBondContact O-CG1 3.12Å; V251-V254 PolarHBondContact O-N 3.18Å; V251-V254 VanDerWaalsContact O-N 3.15Å; A252-V254 VanDerWaalsContact C-N 3.26Å |
| 255 | K | 95.1 | Very high | 82.4 | Confident | 167 Ų | 167 | 81.9 Ų | 81.9 | 73% | 0.726 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 148.3 | 172 | -65.7 | -174 | -179.5 | -177.7 | 0 | 109.7 | L196 | L196-K255 VanDerWaalsContact CD2-O 3.25Å; L196-K255 WeakPolarHBondContact CD2-O 3.32Å |
| 256 | P | 95.3 | Very high | 79.7 | Confident | 37 Ų | 37 | 81.2 Ų | 81.2 | 24% | 0.24 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 151.2 | 176.5 | 26.3 | -34.6 | 0 | 0 | 0 | 111.2 | N224 I227 D228 | N224-P256 WeakPolarHBondContact OD1-CA 3.19Å; I227-P256 HydrophobicContact CB-CB 4.32Å; I227-P256 HydrophobicContact CD1-CB 4.47Å; D228-P256 HydrophobicContact CB-CG 4.42Å; D228-P256 WeakPolarHBondContact OD2-CD 3.45Å; D228-P256 WeakPolarHBondContact OD2-CG 3.43Å |
| 257 | L | 94.7 | Very high | 76.7 | Confident | 43 Ų | 43 | 85.4 Ų | 85.4 | 23% | 0.225 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 138.3 | 168 | -68.4 | 175.7 | 0 | 0 | 0 | 109.5 | L192 K195 L196 W221 N224 | L192-L257 HydrophobicContact CD1-CD1 3.5Å; L192-L257 HydrophobicContact CD1-CG 4.02Å; K195-L257 HydrophobicContact CB-CD1 3.73Å; K195-L257 HydrophobicContact CD-CD1 4.2Å; L196-L257 HydrophobicContact CD2-CD2 3.59Å; L196-L257 HydrophobicContact CD2-CG 3.64Å; L196-L257 HydrophobicContact CG-CD2 4.05Å; L196-L257 HydrophobicContact CG-CG 3.96Å; W221-L257 HydrophobicContact CH2-CB 3.93Å; W221-L257 HydrophobicContact CZ3-CB 3.8Å; N224-L257 PolarHBondContact ND2-O 3.2Å; N224-L257 PolarHBondContact OD1-N 2.61Å |
| 258 | K | 90.6 | Very high | 73.9 | Confident | 188 Ų | 188 | 93 Ų | 93 | 82% | 0.817 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 124.6 | 169.3 | -64.3 | -177.7 | 180 | -178.9 | 0 | 108.1 | P260 | K258-P260 VanDerWaalsContact O-CD 3.25Å; K258-P260 WeakPolarHBondContact O-CD 3.25Å |
| 259 | N | 79.8 | Confident | 72.8 | Confident | 51 Ų | 51 | 95.8 Ų | 95.8 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | trans | -74.7 | 115.8 | 176.2 | -174.5 | -7.6 | 0 | 0 | 0 | 109.8 | W221 E261 A262 | W221-N259 HydrophobicContact CE3-CB 4.28Å; W221-N259 VanDerWaalsContact CH2-CA 3.46Å; W221-N259 HydrophobicContact CH2-CB 3.81Å; W221-N259 HydrophobicContact CZ2-CB 4.2Å; W221-N259 HydrophobicContact CZ3-CB 3.83Å; N259-E261 VanDerWaalsContact C-N 3.27Å; N259-E261 PolarHBondContact O-N 2.94Å; N259-E261 PolarHBondContact OD1-N 3.45Å; N259-A262 HydrophobicContact CB-CB 3.9Å; N259-A262 PolarHBondContact O-N 3.26Å | ||
| 260 | P | 69.2 | Low | 71.6 | Confident | 95 Ų | 95 | 95.7 Ų | 95.7 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -31.2 | 177.7 | 24.8 | -31.5 | 0 | 0 | 0 | 112.6 | K258 N263 | K258-P260 VanDerWaalsContact O-CD 3.25Å; K258-P260 WeakPolarHBondContact O-CD 3.25Å; P260-N263 PolarHBondContact O-N 3.42Å |
| 261 | E | 66.2 | Low | 70.2 | Confident | 147 Ų | 147 | 96.7 Ų | 96.7 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.4 | -26.3 | -178.8 | -63.5 | -177.6 | 170.8 | 0 | 0 | 112.9 | N259 N263 A264 | N259-E261 VanDerWaalsContact C-N 3.27Å; N259-E261 PolarHBondContact O-N 2.94Å; N259-E261 PolarHBondContact OD1-N 3.45Å; E261-N263 PolarHBondContact O-N 3.41Å; E261-A264 PolarHBondContact O-N 3.24Å; E261-A264 VanDerWaalsContact O-N 3.08Å |
| 262 | A | 59.3 | Low | 68.6 | Low | 55 Ų | 55 | 101.6 Ų | 101.6 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -23.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N259 T265 | N259-A262 HydrophobicContact CB-CB 3.9Å; N259-A262 PolarHBondContact O-N 3.26Å; A262-T265 PolarHBondContact O-OG1 3.08Å |
| 263 | N | 41.4 | Very low | 66.9 | Low | 118 Ų | 118 | 107.7 Ų | 107.7 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -86.1 | -19.9 | 174.9 | -68.2 | -17.8 | 0 | 0 | 0 | 112.6 | P260 E261 T265 | P260-N263 PolarHBondContact O-N 3.42Å; E261-N263 PolarHBondContact O-N 3.41Å; N263-T265 VanDerWaalsContact C-N 3.34Å |
| 264 | A | 41.2 | Very low | 65 | Low | 73 Ų | 73 | 107.3 Ų | 107.3 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.3 | -21.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E261 A266 | E261-A264 PolarHBondContact O-N 3.24Å; E261-A264 VanDerWaalsContact O-N 3.08Å; A264-A266 VanDerWaalsContact C-N 3.33Å |
| 265 | T | 40.7 | Very low | 62.8 | Low | 121 Ų | 121 | 112.6 Ų | 112.6 | 74% | 0.742 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -0.4 | 176.8 | 42.9 | 0 | 0 | 0 | 0 | 114.3 | A262 N263 | A262-T265 PolarHBondContact O-OG1 3.08Å; N263-T265 VanDerWaalsContact C-N 3.34Å |
| 266 | A | 38.7 | Very low | 60.3 | Low | 70 Ų | 70 | 108.4 Ų | 108.4 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A264 | A264-A266 VanDerWaalsContact C-N 3.33Š|
| 267 | F | 31.7 | Very low | 57.4 | Low | 179 Ų | 179 | 114.3 Ų | 114.3 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | -133.5 | 78.7 | 176.7 | -65.3 | -79.5 | 0 | 0 | 0 | 110.8 | ||||
| 268 | N | 35.4 | Very low | 54 | Low | 232 Ų | 232 | 120.8 Ų | 120.8 | 100% | 1.241 | 68% | 0.675 | S | S | * | * | trans | -160.7 | 0 | 153.9 | -81.2 | -37.6 | 0 | 0 | 0 | 107.9 |
Retrieved 268 of 268 residues in 678.6 ms
(Link to these results)