| 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 | 52.7 | Low | 84.1 | Confident | 94 Ų | 94 | 74.6 Ų | 74.6 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | 0 | 126.9 | 0 | -168.3 | 174.8 | 73.8 | 0 | 0 | 106.7 | I379 R387 | M1-I379 HydrophobicContact CE-CG2 3.89Å; M1-I379 HydrophobicContact SD-CG2 3.84Å; M1-R387 PolarHBondContact SD-NH1 2.75Å | |||
| 2 | N | 63.7 | Low | 84.7 | Confident | 150 Ų | 150 | 75.6 Ų | 75.6 | 80% | 0.802 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 123.2 | 174.8 | -69.3 | -18.1 | 0 | 0 | 0 | 107.7 | N4 | N2-N4 PolarHBondContact O-N 3.41Š|
| 3 | L | 77.1 | Confident | 85.4 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 23% | 0.225 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 134.8 | 169.9 | -73.9 | 172.6 | 0 | 0 | 0 | 108.7 | D7 I8 L152 L391 | L3-D7 HydrophobicContact CB-CB 4.34Å; L3-D7 HydrophobicContact CD2-CB 4.06Å; L3-I8 HydrophobicContact CB-CD1 4.33Å; L3-I8 HydrophobicContact CB-CG1 4.01Å; L3-I8 HydrophobicContact CD1-CG1 4.46Å; L3-L152 HydrophobicContact CD1-CD2 3.46Å; L3-L152 VanDerWaalsContact CD1-CD2 3.46Å; L3-L152 HydrophobicContact CD2-CD2 4.4Å; L3-L152 HydrophobicContact CG-CD2 3.96Å; L3-L391 HydrophobicContact CD1-CD1 4.38Å; L3-L391 HydrophobicContact CD2-CD1 3.31Å; L3-L391 HydrophobicContact CG-CD1 4.49Å |
| 4 | N | 86.7 | Confident | 85.9 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 154.7 | 176 | -79.7 | -26.1 | 0 | 0 | 0 | 109.3 | N2 L6 D7 I8 S384 | N2-N4 PolarHBondContact O-N 3.41Å; N4-L6 PolarHBondContact O-N 3.04Å; N4-L6 VanDerWaalsContact O-N 3.13Å; N4-D7 PolarHBondContact N-OD2 3.23Å; N4-D7 VanDerWaalsContact N-OD2 3.13Å; N4-D7 WeakPolarHBondContact O-CA 3.46Å; N4-D7 WeakPolarHBondContact O-CB 3.33Å; N4-D7 PolarHBondContact O-N 3.29Å; N4-I8 PolarHBondContact O-N 3.3Å; N4-S384 PolarHBondContact ND2-OG 3.47Å |
| 5 | V | 91.8 | Very high | 86 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 66% | 0.655 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54.1 | -38.1 | -178.6 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | D7 I8 I9 | V5-D7 VanDerWaalsContact C-N 3.34Å; V5-D7 PolarHBondContact O-N 3.24Å; V5-I8 PolarHBondContact O-N 3.14Å; V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 HydrophobicContact CG1-CG1 4.4Å; V5-I9 WeakPolarHBondContact O-CG1 3.47Å; V5-I9 PolarHBondContact O-N 3.37Å |
| 6 | L | 92.7 | Very high | 86.3 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 174.9 | -67.9 | 177.3 | 0 | 0 | 0 | 113.2 | N4 I8 I9 V10 | N4-L6 PolarHBondContact O-N 3.04Å; N4-L6 VanDerWaalsContact O-N 3.13Å; L6-I8 VanDerWaalsContact C-N 3.33Å; L6-I9 PolarHBondContact O-N 3.06Å; L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.26Å; L6-V10 VanDerWaalsContact O-N 3.13Å |
| 7 | D | 91.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65 | -42 | 178 | -61.1 | -38.6 | 0 | 0 | 0 | 110.9 | L3 N4 V5 V10 L11 G385 R387 G388 | L3-D7 HydrophobicContact CB-CB 4.34Å; L3-D7 HydrophobicContact CD2-CB 4.06Å; N4-D7 PolarHBondContact N-OD2 3.23Å; N4-D7 VanDerWaalsContact N-OD2 3.13Å; N4-D7 WeakPolarHBondContact O-CA 3.46Å; N4-D7 WeakPolarHBondContact O-CB 3.33Å; N4-D7 PolarHBondContact O-N 3.29Å; V5-D7 VanDerWaalsContact C-N 3.34Å; V5-D7 PolarHBondContact O-N 3.24Å; D7-V10 PolarHBondContact O-N 2.94Å; D7-L11 WeakPolarHBondContact O-CB 3.44Å; D7-L11 PolarHBondContact O-N 3.3Å; D7-G385 PolarHBondContact OD1-N 3.12Å; D7-R387 IonicContact OD1-NE 2.67Å; D7-R387 IonicContact OD2-CZ 3.43Å; D7-R387 VanDerWaalsContact OD2-CZ 3.23Å; D7-R387 IonicContact OD2-NE 2.71Å; D7-R387 PolarHBondContact OD2-NE 3.05Å; D7-R387 IonicContact OD2-NH2 2.65Å; D7-R387 PolarHBondContact OD2-NH2 2.68Å; D7-G388 PolarHBondContact OD1-N 2.96Å |
| 8 | I | 90.5 | Very high | 86.7 | Confident | 81 Ų | 81 | 64.3 Ų | 64.3 | 42% | 0.415 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 179.1 | -60.7 | 173.1 | 0 | 0 | 0 | 110.2 | L3 N4 V5 L6 V10 L11 V12 | L3-I8 HydrophobicContact CB-CD1 4.33Å; L3-I8 HydrophobicContact CB-CG1 4.01Å; L3-I8 HydrophobicContact CD1-CG1 4.46Å; N4-I8 PolarHBondContact O-N 3.3Å; V5-I8 PolarHBondContact O-N 3.14Å; L6-I8 VanDerWaalsContact C-N 3.33Å; I8-V10 VanDerWaalsContact C-N 3.34Å; I8-V10 PolarHBondContact O-N 2.87Å; I8-L11 PolarHBondContact O-N 3.29Å; I8-V12 HydrophobicContact CG2-CG2 4.28Å; I8-V12 VanDerWaalsContact O-CG2 3.32Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.47Å |
| 9 | I | 94 | Very high | 86.6 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 177.4 | -70.8 | 167.3 | 0 | 0 | 0 | 110.7 | V5 L6 L11 V12 I13 | V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 HydrophobicContact CG1-CG1 4.4Å; V5-I9 WeakPolarHBondContact O-CG1 3.47Å; V5-I9 PolarHBondContact O-N 3.37Å; L6-I9 PolarHBondContact O-N 3.06Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.5Å; I9-V12 PolarHBondContact O-N 3.4Å; I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.47Å; I9-I13 PolarHBondContact O-N 3.17Å |
| 10 | V | 93.6 | Very high | 86.7 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 179 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L6 D7 I8 I13 Y14 L389 | L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.26Å; L6-V10 VanDerWaalsContact O-N 3.13Å; D7-V10 PolarHBondContact O-N 2.94Å; I8-V10 VanDerWaalsContact C-N 3.34Å; I8-V10 PolarHBondContact O-N 2.87Å; V10-I13 PolarHBondContact O-N 3.35Å; V10-Y14 PolarHBondContact O-N 3.25Å; V10-L389 HydrophobicContact CG1-CB 3.98Å; V10-L389 HydrophobicContact CG1-CD1 4.49Å |
| 11 | L | 90.2 | Very high | 86.7 | Confident | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 177.2 | -177.6 | 141 | 0 | 0 | 0 | 112.1 | D7 I8 I9 Y14 F15 L391 L395 | D7-L11 WeakPolarHBondContact O-CB 3.44Å; D7-L11 PolarHBondContact O-N 3.3Å; I8-L11 PolarHBondContact O-N 3.29Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.5Å; L11-Y14 WeakPolarHBondContact O-CB 3.25Å; L11-Y14 PolarHBondContact O-N 3.22Å; L11-F15 HydrophobicContact CD1-CE2 4.3Å; L11-F15 HydrophobicContact CD2-CD2 3.62Å; L11-F15 HydrophobicContact CD2-CE2 3.57Å; L11-F15 HydrophobicContact CG-CD2 3.92Å; L11-F15 HydrophobicContact CG-CE2 3.72Å; L11-F15 WeakPolarHBondContact O-CD2 3.36Å; L11-F15 PolarHBondContact O-N 3.5Å; L11-L391 HydrophobicContact CD1-CB 4.4Å; L11-L395 HydrophobicContact CD1-CD1 3.95Å |
| 12 | V | 91.6 | Very high | 88.1 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | I8 I9 Y14 F15 A16 | I8-V12 HydrophobicContact CG2-CG2 4.28Å; I8-V12 VanDerWaalsContact O-CG2 3.32Å; I8-V12 WeakPolarHBondContact O-CG2 3.34Å; I8-V12 PolarHBondContact O-N 3.47Å; I9-V12 PolarHBondContact O-N 3.4Å; V12-Y14 VanDerWaalsContact C-N 3.33Å; V12-Y14 PolarHBondContact O-N 2.95Å; V12-F15 PolarHBondContact O-N 3.34Å; V12-A16 WeakPolarHBondContact O-CB 3.13Å; V12-A16 PolarHBondContact O-N 3.37Å |
| 13 | I | 93.9 | Very high | 89 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 54% | 0.544 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 175.7 | -69.6 | 166.9 | 0 | 0 | 0 | 110.6 | I9 V10 A16 A17 | I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.47Å; I9-I13 PolarHBondContact O-N 3.17Å; V10-I13 PolarHBondContact O-N 3.35Å; I13-A16 PolarHBondContact O-N 3.37Å; I13-A17 WeakPolarHBondContact O-CB 3.38Å; I13-A17 PolarHBondContact O-N 3.43Å |
| 14 | Y | 91.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 176.3 | 163.5 | -104.4 | 0 | 0 | 0 | 111.9 | V10 L11 V12 A16 A17 L18 L185 Q186 V189 A392 L395 A396 | V10-Y14 PolarHBondContact O-N 3.25Å; L11-Y14 WeakPolarHBondContact O-CB 3.25Å; L11-Y14 PolarHBondContact O-N 3.22Å; V12-Y14 VanDerWaalsContact C-N 3.33Å; V12-Y14 PolarHBondContact O-N 2.95Å; Y14-A16 VanDerWaalsContact C-N 3.32Å; Y14-A16 PolarHBondContact O-N 3.34Å; Y14-A17 PolarHBondContact O-N 3.44Å; Y14-L18 HydrophobicContact CE1-CD2 4.2Å; Y14-L18 WeakPolarHBondContact O-CB 3.49Å; Y14-L18 PolarHBondContact O-N 2.79Å; Y14-L18 WeakPolarHBondContact OH-CD2 3.14Å; Y14-L185 HydrophobicContact CD2-CD2 4.47Å; Y14-L185 HydrophobicContact CE2-CD2 4.21Å; Y14-Q186 PolarHBondContact OH-NE2 3.37Å; Y14-V189 HydrophobicContact CD2-CG1 4.47Å; Y14-V189 HydrophobicContact CD2-CG2 4.45Å; Y14-A392 HydrophobicContact CD1-CB 3.69Å; Y14-A392 HydrophobicContact CD2-CB 4.14Å; Y14-A392 HydrophobicContact CE1-CB 4.36Å; Y14-A392 HydrophobicContact CG-CB 3.57Å; Y14-L395 HydrophobicContact CE1-CB 4.39Å; Y14-A396 HydrophobicContact CE2-CB 3.93Å; Y14-A396 WeakPolarHBondContact OH-CA 3.27Å; Y14-A396 VanDerWaalsContact OH-CB 3.24Å; Y14-A396 WeakPolarHBondContact OH-CB 3.41Å; Y14-A396 PolarHBondContact OH-N 3.29Å |
| 15 | F | 88.6 | Confident | 88.9 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 178.4 | -81.4 | -66.3 | 0 | 0 | 0 | 112.4 | L11 V12 L18 L19 L166 L395 I399 | L11-F15 HydrophobicContact CD1-CE2 4.3Å; L11-F15 HydrophobicContact CD2-CD2 3.62Å; L11-F15 HydrophobicContact CD2-CE2 3.57Å; L11-F15 HydrophobicContact CG-CD2 3.92Å; L11-F15 HydrophobicContact CG-CE2 3.72Å; L11-F15 WeakPolarHBondContact O-CD2 3.36Å; L11-F15 PolarHBondContact O-N 3.5Å; V12-F15 PolarHBondContact O-N 3.34Å; F15-L18 HydrophobicContact CD1-CD2 4.46Å; F15-L18 PolarHBondContact O-N 2.89Å; F15-L19 WeakPolarHBondContact O-CB 3.42Å; F15-L19 VanDerWaalsContact O-CG 3.28Å; F15-L19 WeakPolarHBondContact O-CG 3.36Å; F15-L19 PolarHBondContact O-N 3.48Å; F15-L166 HydrophobicContact CD1-CD2 4.49Å; F15-L166 HydrophobicContact CE1-CD1 3.96Å; F15-L166 HydrophobicContact CE1-CD2 3.94Å; F15-L166 HydrophobicContact CE1-CG 4.41Å; F15-L166 HydrophobicContact CZ-CD1 3.69Å; F15-L166 HydrophobicContact CZ-CD2 4.29Å; F15-L395 HydrophobicContact CE2-CD1 4.05Å; F15-L395 HydrophobicContact CZ-CD1 3.91Å; F15-I399 HydrophobicContact CE1-CD1 4.14Å |
| 16 | A | 90.9 | Very high | 88 | Confident | 60 Ų | 60 | 53 Ų | 53 | 50% | 0.496 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V12 I13 Y14 G20 | V12-A16 WeakPolarHBondContact O-CB 3.13Å; V12-A16 PolarHBondContact O-N 3.37Å; I13-A16 PolarHBondContact O-N 3.37Å; Y14-A16 VanDerWaalsContact C-N 3.32Å; Y14-A16 PolarHBondContact O-N 3.34Å; A16-G20 PolarHBondContact O-N 2.9Å |
| 17 | A | 91.3 | Very high | 87 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I13 Y14 G20 T21 L185 | I13-A17 WeakPolarHBondContact O-CB 3.38Å; I13-A17 PolarHBondContact O-N 3.43Å; Y14-A17 PolarHBondContact O-N 3.44Å; A17-G20 PolarHBondContact O-N 3.39Å; A17-T21 WeakPolarHBondContact O-CB 3.2Å; A17-T21 WeakPolarHBondContact O-CG2 3.26Å; A17-T21 PolarHBondContact O-N 3.41Å; A17-T21 PolarHBondContact O-OG1 3.35Å; A17-L185 HydrophobicContact CB-CD1 3.9Å |
| 18 | L | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 176.3 | -175.5 | 64.2 | 0 | 0 | 0 | 111.9 | Y14 F15 T21 G22 I170 T182 Q186 I399 | Y14-L18 HydrophobicContact CE1-CD2 4.2Å; Y14-L18 WeakPolarHBondContact O-CB 3.49Å; Y14-L18 PolarHBondContact O-N 2.79Å; Y14-L18 WeakPolarHBondContact OH-CD2 3.14Å; F15-L18 HydrophobicContact CD1-CD2 4.46Å; F15-L18 PolarHBondContact O-N 2.89Å; L18-T21 WeakPolarHBondContact CA-OG1 3.27Å; L18-T21 PolarHBondContact O-OG1 2.6Å; L18-G22 PolarHBondContact O-N 2.96Å; L18-I170 HydrophobicContact CD2-CD1 3.38Å; L18-I170 HydrophobicContact CG-CD1 3.9Å; L18-T182 HydrophobicContact CD1-CG2 3.93Å; L18-Q186 HydrophobicContact CD1-CG 4.1Å; L18-I399 HydrophobicContact CD2-CD1 4.05Å |
| 19 | L | 85 | Confident | 84.6 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 37% | 0.372 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 175 | -68.7 | 174.8 | 0 | 0 | 0 | 111.3 | F15 G22 I23 L169 I170 | F15-L19 WeakPolarHBondContact O-CB 3.42Å; F15-L19 VanDerWaalsContact O-CG 3.28Å; F15-L19 WeakPolarHBondContact O-CG 3.36Å; F15-L19 PolarHBondContact O-N 3.48Å; L19-G22 PolarHBondContact O-N 2.84Å; L19-I23 WeakPolarHBondContact O-CB 3.19Å; L19-I23 WeakPolarHBondContact O-CG1 3.19Å; L19-I23 PolarHBondContact O-N 3.49Å; L19-L169 HydrophobicContact CD2-CD2 3.44Å; L19-L169 VanDerWaalsContact CD2-CD2 3.44Å; L19-I170 HydrophobicContact CD2-CG1 4.29Å |
| 20 | G | 88 | Confident | 82.8 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 38% | 0.381 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A16 A17 Y24 | A16-G20 PolarHBondContact O-N 2.9Å; A17-G20 PolarHBondContact O-N 3.39Å; G20-Y24 VanDerWaalsContact O-CB 3.26Å; G20-Y24 WeakPolarHBondContact O-CB 3.25Å; G20-Y24 PolarHBondContact O-N 2.97Å |
| 21 | T | 87.3 | Confident | 80.9 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 175 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | A17 L18 Y24 A25 L185 | A17-T21 WeakPolarHBondContact O-CB 3.2Å; A17-T21 WeakPolarHBondContact O-CG2 3.26Å; A17-T21 PolarHBondContact O-N 3.41Å; A17-T21 PolarHBondContact O-OG1 3.35Å; L18-T21 WeakPolarHBondContact CA-OG1 3.27Å; L18-T21 PolarHBondContact O-OG1 2.6Å; T21-Y24 PolarHBondContact O-N 2.67Å; T21-A25 WeakPolarHBondContact O-CB 3.4Å; T21-A25 PolarHBondContact O-N 2.98Å; T21-L185 HydrophobicContact CG2-CB 4.47Å; T21-L185 HydrophobicContact CG2-CD1 3.56Å |
| 22 | G | 81.9 | Confident | 79.3 | Confident | 6 Ų | 6 | 68 Ų | 68 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.8 | -56 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L18 L19 Y24 A25 L26 | L18-G22 PolarHBondContact O-N 2.96Å; L19-G22 PolarHBondContact O-N 2.84Å; G22-Y24 PolarHBondContact O-N 3.03Å; G22-A25 WeakPolarHBondContact O-CB 3.34Å; G22-A25 PolarHBondContact O-N 3.46Å; G22-A25 VanDerWaalsContact O-N 3.16Å; G22-L26 VanDerWaalsContact O-CD2 3.32Å; G22-L26 WeakPolarHBondContact O-CD2 3.23Å; G22-L26 WeakPolarHBondContact O-CG 3.27Å; G22-L26 PolarHBondContact O-N 3.21Å |
| 23 | I | 82.3 | Confident | 77.8 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 46% | 0.456 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 178.4 | -69.5 | 167.3 | 0 | 0 | 0 | 111.3 | L19 A25 L26 F27 | L19-I23 WeakPolarHBondContact O-CB 3.19Å; L19-I23 WeakPolarHBondContact O-CG1 3.19Å; L19-I23 PolarHBondContact O-N 3.49Å; I23-A25 VanDerWaalsContact C-N 3.3Å; I23-A25 PolarHBondContact O-N 3.46Å; I23-L26 WeakPolarHBondContact O-CB 3.3Å; I23-L26 PolarHBondContact O-N 3.22Å; I23-F27 HydrophobicContact CG2-CD2 4Å; I23-F27 HydrophobicContact CG2-CE2 3.51Å; I23-F27 WeakPolarHBondContact O-CD2 3.2Å; I23-F27 PolarHBondContact O-N 3.28Å |
| 24 | Y | 83.6 | Confident | 76.2 | Confident | 153 Ų | 153 | 64.7 Ų | 64.7 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56.5 | -45.3 | 176.3 | 173.1 | -98 | 0 | 0 | 0 | 111.6 | G20 T21 G22 L26 F27 A28 | G20-Y24 VanDerWaalsContact O-CB 3.26Å; G20-Y24 WeakPolarHBondContact O-CB 3.25Å; G20-Y24 PolarHBondContact O-N 2.97Å; T21-Y24 PolarHBondContact O-N 2.67Å; G22-Y24 PolarHBondContact O-N 3.03Å; Y24-L26 PolarHBondContact O-N 3.15Å; Y24-F27 PolarHBondContact O-N 3.47Å; Y24-F27 VanDerWaalsContact O-N 3.13Å; Y24-A28 HydrophobicContact CE1-CB 4.42Å; Y24-A28 PolarHBondContact O-N 2.95Å |
| 25 | A | 78 | Confident | 74.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.7 | -27.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T21 G22 I23 F27 A28 S29 A178 Y181 | T21-A25 WeakPolarHBondContact O-CB 3.4Å; T21-A25 PolarHBondContact O-N 2.98Å; G22-A25 WeakPolarHBondContact O-CB 3.34Å; G22-A25 PolarHBondContact O-N 3.46Å; G22-A25 VanDerWaalsContact O-N 3.16Å; I23-A25 VanDerWaalsContact C-N 3.3Å; I23-A25 PolarHBondContact O-N 3.46Å; A25-F27 VanDerWaalsContact C-N 3.3Å; A25-F27 PolarHBondContact O-N 3.28Å; A25-A28 PolarHBondContact O-N 2.88Å; A25-S29 WeakPolarHBondContact O-CB 3.02Å; A25-S29 PolarHBondContact O-N 2.86Å; A25-A178 HydrophobicContact CB-CB 3.87Å; A25-Y181 HydrophobicContact CB-CD2 3.6Å; A25-Y181 HydrophobicContact CB-CE2 4.47Å; A25-Y181 HydrophobicContact CB-CG 4.17Å |
| 26 | L | 71.8 | Confident | 73.1 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 173.6 | -54.7 | -169.4 | 0 | 0 | 0 | 111.7 | G22 I23 Y24 T173 A178 | G22-L26 VanDerWaalsContact O-CD2 3.32Å; G22-L26 WeakPolarHBondContact O-CD2 3.23Å; G22-L26 WeakPolarHBondContact O-CG 3.27Å; G22-L26 PolarHBondContact O-N 3.21Å; I23-L26 WeakPolarHBondContact O-CB 3.3Å; I23-L26 PolarHBondContact O-N 3.22Å; Y24-L26 PolarHBondContact O-N 3.15Å; L26-T173 WeakPolarHBondContact CD2-O 3.04Å; L26-A178 HydrophobicContact CD2-CB 3.98Å |
| 27 | F | 73.6 | Confident | 71.5 | Confident | 175 Ų | 175 | 63.8 Ų | 63.8 | 77% | 0.768 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -79.6 | -32.8 | 177.8 | -66.9 | -66.3 | 0 | 0 | 0 | 112.5 | I23 Y24 A25 | I23-F27 HydrophobicContact CG2-CD2 4Å; I23-F27 HydrophobicContact CG2-CE2 3.51Å; I23-F27 WeakPolarHBondContact O-CD2 3.2Å; I23-F27 PolarHBondContact O-N 3.28Å; Y24-F27 PolarHBondContact O-N 3.47Å; Y24-F27 VanDerWaalsContact O-N 3.13Å; A25-F27 VanDerWaalsContact C-N 3.3Å; A25-F27 PolarHBondContact O-N 3.28Å |
| 28 | A | 69 | Low | 69.9 | Low | 50 Ų | 50 | 62.1 Ų | 62.1 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75 | -28.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y24 A25 | Y24-A28 HydrophobicContact CE1-CB 4.42Å; Y24-A28 PolarHBondContact O-N 2.95Å; A25-A28 PolarHBondContact O-N 2.88Å |
| 29 | S | 61.7 | Low | 68.5 | Low | 18 Ų | 18 | 62.3 Ų | 62.3 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -89.5 | 125.7 | -174.8 | -173 | 0 | 0 | 0 | 0 | 112.8 | A25 R31 | A25-S29 WeakPolarHBondContact O-CB 3.02Å; A25-S29 PolarHBondContact O-N 2.86Å; S29-R31 PolarHBondContact O-N 2.86Å |
| 30 | R | 56.4 | Low | 67.4 | Low | 228 Ų | 228 | 58.9 Ų | 58.9 | 86% | 0.86 | 31% | 0.309 | S | S | * | . | trans | -73.6 | 89.7 | 172.4 | -68.3 | -174.4 | -179.9 | -172.8 | -0 | 110.3 | G32 | R30-G32 VanDerWaalsContact C-N 3.26Å; R30-G32 PolarHBondContact O-N 3.33Å | ||
| 31 | R | 54.8 | Low | 65.9 | Low | 130 Ų | 130 | 58.8 Ų | 58.8 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.4 | -174 | -64.3 | 177.2 | 175.4 | -149.1 | -16.3 | 116.8 | S29 T33 T173 | S29-R31 PolarHBondContact O-N 2.86Å; R31-T33 PolarHBondContact O-N 2.6Å; R31-T173 PolarHBondContact NH2-O 2.8Å |
| 32 | G | 55.6 | Low | 64.8 | Low | 65 Ų | 65 | 58.5 Ų | 58.5 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6.9 | -166 | 0 | 0 | 0 | 0 | 0 | 116.3 | R30 | R30-G32 VanDerWaalsContact C-N 3.26Å; R30-G32 PolarHBondContact O-N 3.33Å |
| 33 | T | 61 | Low | 64.5 | Low | 75 Ų | 75 | 62.5 Ų | 62.5 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -131.9 | 150.1 | -174.1 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | R31 T35 G36 Y37 | R31-T33 PolarHBondContact O-N 2.6Å; T33-T35 VanDerWaalsContact C-N 3.26Å; T33-T35 PolarHBondContact O-N 2.83Å; T33-G36 WeakPolarHBondContact O-CA 3.3Å; T33-G36 PolarHBondContact O-N 3.49Å; T33-G36 PolarHBondContact OG1-N 2.88Å; T33-Y37 PolarHBondContact O-N 3.35Å |
| 34 | V | 58.7 | Low | 64.5 | Low | 47 Ų | 47 | 58.4 Ų | 58.4 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.2 | -41.3 | 174.2 | 175.1 | 0 | 0 | 0 | 0 | 111 | G36 Y37 F38 N427 | V34-G36 VanDerWaalsContact C-N 3.35Å; V34-G36 PolarHBondContact O-N 3.3Å; V34-Y37 PolarHBondContact O-N 3.17Å; V34-F38 HydrophobicContact CG1-CD2 3.45Å; V34-F38 VanDerWaalsContact CG1-CD2 3.45Å; V34-F38 HydrophobicContact CG1-CE2 3.71Å; V34-F38 WeakPolarHBondContact O-CD2 3.21Å; V34-F38 PolarHBondContact O-N 3.19Å; V34-N427 VanDerWaalsContact CG2-OD1 3.32Å; V34-N427 WeakPolarHBondContact CG2-OD1 3.46Å |
| 35 | T | 59 | Low | 64.8 | Low | 50 Ų | 50 | 53.3 Ų | 53.3 | 31% | 0.307 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 173.6 | -43.3 | 0 | 0 | 0 | 0 | 112.6 | T33 Y37 L39 A40 G41 F105 | T33-T35 VanDerWaalsContact C-N 3.26Å; T33-T35 PolarHBondContact O-N 2.83Å; T35-Y37 VanDerWaalsContact C-N 3.34Å; T35-L39 HydrophobicContact CG2-CB 4.28Å; T35-L39 HydrophobicContact CG2-CD1 4.22Å; T35-L39 CarbonylContact O-C 3.48Å; T35-L39 WeakPolarHBondContact O-CA 3.38Å; T35-L39 WeakPolarHBondContact O-CB 3.25Å; T35-L39 PolarHBondContact O-N 2.95Å; T35-A40 PolarHBondContact O-N 3.48Å; T35-G41 PolarHBondContact O-N 3.44Å; T35-F105 HydrophobicContact CG2-CE1 4.29Å |
| 36 | G | 56.3 | Low | 65.4 | Low | 4 Ų | 4 | 54.3 Ų | 54.3 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T33 V34 A40 | T33-G36 WeakPolarHBondContact O-CA 3.3Å; T33-G36 PolarHBondContact O-N 3.49Å; T33-G36 PolarHBondContact OG1-N 2.88Å; V34-G36 VanDerWaalsContact C-N 3.35Å; V34-G36 PolarHBondContact O-N 3.3Å; G36-A40 WeakPolarHBondContact O-CA 3.22Å; G36-A40 PolarHBondContact O-N 3.25Å |
| 37 | Y | 58.6 | Low | 66.4 | Low | 30 Ų | 30 | 55.6 Ų | 55.6 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.1 | -44.9 | 179.1 | -170 | -95.8 | 0 | 0 | 0 | 113.1 | T33 V34 T35 G174 L176 | T33-Y37 PolarHBondContact O-N 3.35Å; V34-Y37 PolarHBondContact O-N 3.17Å; T35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-G174 WeakPolarHBondContact CE2-O 3.43Å; Y37-G174 PolarHBondContact OH-O 3.22Å; Y37-L176 WeakPolarHBondContact O-CB 3.42Å; Y37-L176 PolarHBondContact O-N 3.36Å |
| 38 | F | 58.1 | Low | 67.3 | Low | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -95.5 | -25.1 | -173.7 | -66.5 | -57.6 | 0 | 0 | 0 | 115.3 | V34 L176 Q307 T411 T414 I430 | V34-F38 HydrophobicContact CG1-CD2 3.45Å; V34-F38 VanDerWaalsContact CG1-CD2 3.45Å; V34-F38 HydrophobicContact CG1-CE2 3.71Å; V34-F38 WeakPolarHBondContact O-CD2 3.21Å; V34-F38 PolarHBondContact O-N 3.19Å; F38-L176 WeakPolarHBondContact O-CD2 3.44Å; F38-Q307 PolarHBondContact O-NE2 3.41Å; F38-T411 HydrophobicContact CB-CG2 4.33Å; F38-T411 HydrophobicContact CD1-CG2 4.19Å; F38-T411 WeakPolarHBondContact CD1-OG1 3.4Å; F38-T411 HydrophobicContact CG-CG2 4.2Å; F38-T414 WeakPolarHBondContact CZ-OG1 3.31Å; F38-I430 HydrophobicContact CE2-CG2 4.36Å; F38-I430 HydrophobicContact CZ-CG2 4.46Å |
| 39 | L | 58.1 | Low | 68.4 | Low | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -119.4 | 11.1 | -179.8 | -69.2 | 104.4 | 0 | 0 | 0 | 113.6 | T35 G41 R42 F105 L310 A311 | T35-L39 HydrophobicContact CG2-CB 4.28Å; T35-L39 HydrophobicContact CG2-CD1 4.22Å; T35-L39 CarbonylContact O-C 3.48Å; T35-L39 WeakPolarHBondContact O-CA 3.38Å; T35-L39 WeakPolarHBondContact O-CB 3.25Å; T35-L39 PolarHBondContact O-N 2.95Å; L39-G41 PolarHBondContact O-N 2.78Å; L39-R42 HydrophobicContact CB-CG 4.24Å; L39-R42 HydrophobicContact CD2-CG 4.44Å; L39-R42 PolarHBondContact O-N 3.13Å; L39-F105 HydrophobicContact CD1-CB 4.27Å; L39-F105 HydrophobicContact CD1-CD1 3.1Å; L39-F105 HydrophobicContact CD1-CE1 3.56Å; L39-F105 HydrophobicContact CD1-CG 3.94Å; L39-F105 HydrophobicContact CD2-CD1 3.77Å; L39-F105 HydrophobicContact CD2-CE1 4.37Å; L39-F105 HydrophobicContact CG-CD1 4.03Å; L39-L310 HydrophobicContact CD2-CB 4.25Å; L39-A311 WeakPolarHBondContact O-CB 3.31Å |
| 40 | A | 61.3 | Low | 70 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | 50.4 | 35.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T35 G36 R42 F43 M44 L176 A177 A311 | T35-A40 PolarHBondContact O-N 3.48Å; G36-A40 WeakPolarHBondContact O-CA 3.22Å; G36-A40 PolarHBondContact O-N 3.25Å; A40-R42 PolarHBondContact O-N 3.41Å; A40-F43 WeakPolarHBondContact O-CD1 3.12Å; A40-F43 WeakPolarHBondContact O-CE1 3.21Å; A40-F43 WeakPolarHBondContact O-CZ 3.11Å; A40-M44 HydrophobicContact CB-CE 3.67Å; A40-M44 HydrophobicContact CB-CG 4.2Å; A40-L176 HydrophobicContact CB-CB 4.35Å; A40-L176 HydrophobicContact CB-CD2 4.39Å; A40-L176 HydrophobicContact CB-CG 4.33Å; A40-A177 HydrophobicContact CB-CB 3.67Å; A40-A311 HydrophobicContact CB-CB 4.34Å |
| 41 | G | 57.7 | Low | 71.9 | Confident | 34 Ų | 34 | 33.8 Ų | 33.8 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | 59.3 | 13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T35 L39 F43 | T35-G41 PolarHBondContact O-N 3.44Å; L39-G41 PolarHBondContact O-N 2.78Å; G41-F43 VanDerWaalsContact C-N 3.28Å; G41-F43 PolarHBondContact O-N 2.87Å |
| 42 | R | 63.9 | Low | 73.8 | Confident | 32 Ų | 32 | 27.6 Ų | 27.6 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | 50.1 | 40.4 | -176.6 | -55.1 | -173.7 | -177.4 | -102 | 8.6 | 114.3 | L39 A40 V104 L310 A311 K313 I806 | L39-R42 HydrophobicContact CB-CG 4.24Å; L39-R42 HydrophobicContact CD2-CG 4.44Å; L39-R42 PolarHBondContact O-N 3.13Å; A40-R42 PolarHBondContact O-N 3.41Å; R42-V104 PolarHBondContact NH2-O 3.17Å; R42-V104 VanDerWaalsContact NH2-O 3.14Å; R42-L310 PolarHBondContact NH1-O 3.46Å; R42-A311 CarbonylContact C-O 3.57Å; R42-A311 VanDerWaalsContact CA-O 3.3Å; R42-A311 WeakPolarHBondContact CA-O 3.18Å; R42-K313 WeakPolarHBondContact O-CA 3.26Å; R42-I806 HydrophobicContact CB-CD1 3.58Å; R42-I806 WeakPolarHBondContact O-CD1 3.14Å |
| 43 | F | 75.6 | Confident | 75.7 | Confident | 90 Ų | 90 | 24.6 Ų | 24.6 | 40% | 0.395 | 14% | 0.138 | S | C | . | . | trans | -112.1 | 8.2 | 179.4 | 58.1 | -102.6 | 0 | 0 | 0 | 113.5 | A40 G41 A177 | A40-F43 WeakPolarHBondContact O-CD1 3.12Å; A40-F43 WeakPolarHBondContact O-CE1 3.21Å; A40-F43 WeakPolarHBondContact O-CZ 3.11Å; G41-F43 VanDerWaalsContact C-N 3.28Å; G41-F43 PolarHBondContact O-N 2.87Å; F43-A177 HydrophobicContact CZ-CB 4.5Å | ||
| 44 | M | 82.3 | Confident | 77.3 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -77.2 | 138.7 | -172.2 | -62.5 | -69.5 | -172.6 | 0 | 0 | 112 | A40 V49 A177 L180 Y181 A311 A312 K313 | A40-M44 HydrophobicContact CB-CE 3.67Å; A40-M44 HydrophobicContact CB-CG 4.2Å; M44-V49 HydrophobicContact CB-CG2 3.59Å; M44-A177 HydrophobicContact CE-CB 3.68Å; M44-L180 HydrophobicContact CB-CD2 4.16Å; M44-L180 HydrophobicContact CE-CB 4.18Å; M44-L180 HydrophobicContact CE-CD2 4.26Å; M44-L180 HydrophobicContact CG-CD2 3.62Å; M44-L180 HydrophobicContact SD-CD2 4.25Å; M44-Y181 HydrophobicContact CE-CD2 4.36Å; M44-Y181 HydrophobicContact CE-CE2 3.89Å; M44-A311 WeakPolarHBondContact CB-O 3.28Å; M44-A311 HydrophobicContact CG-CB 4.46Å; M44-A311 PolarHBondContact N-O 3Å; M44-A312 WeakPolarHBondContact O-CA 3.3Å; M44-K313 PolarHBondContact O-N 2.87Å |
| 45 | T | 88.5 | Confident | 79 | Confident | 45 Ų | 45 | 19.1 Ų | 19.1 | 28% | 0.276 | 10% | 0.104 | S | C | . | . | trans | -78.7 | 174.8 | 173.3 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | L47 P48 V49 K313 | T45-L47 VanDerWaalsContact C-N 3.32Å; T45-L47 PolarHBondContact O-N 2.92Å; T45-P48 WeakPolarHBondContact OG1-CD 3.39Å; T45-V49 VanDerWaalsContact O-CG2 3.28Å; T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-K313 HydrophobicContact CG2-CD 4.47Å | ||
| 46 | W | 90.8 | Very high | 80.5 | Confident | 22 Ų | 22 | 16.7 Ų | 16.7 | 8% | 0.083 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.3 | -30.8 | -171.4 | 62.9 | -98.1 | 0 | 0 | 0 | 112.3 | G50 H317 A321 M324 W726 F727 | W46-G50 PolarHBondContact O-N 2.67Å; W46-H317 WeakPolarHBondContact CA-O 3.39Å; W46-H317 WeakPolarHBondContact CB-O 3.39Å; W46-H317 AromaticContact CD1-CE1 3.67Å; W46-H317 AromaticContact CD1-ND1 3.58Å; W46-H317 PolarHBondContact N-ND1 3.43Å; W46-A321 VanDerWaalsContact O-CB 3.32Å; W46-A321 WeakPolarHBondContact O-CB 3.42Å; W46-M324 HydrophobicContact CE3-CB 4.3Å; W46-M324 HydrophobicContact CE3-SD 3.78Å; W46-M324 HydrophobicContact CZ3-CB 4.18Å; W46-M324 HydrophobicContact CZ3-CG 4.11Å; W46-M324 HydrophobicContact CZ3-SD 3.47Å; W46-M324 WeakPolarHBondContact CZ3-SD 3.33Å; W46-W726 HydrophobicContact CD2-CH2 4.05Å; W46-W726 HydrophobicContact CD2-CZ2 4.37Å; W46-W726 HydrophobicContact CD2-CZ3 4.4Å; W46-W726 AromaticContact CE2-CH2 3.89Å; W46-W726 AromaticContact CE2-CZ3 3.78Å; W46-W726 HydrophobicContact CE3-CH2 4.27Å; W46-W726 HydrophobicContact CG-CZ2 4.46Å; W46-W726 HydrophobicContact CH2-CH2 4.26Å; W46-W726 HydrophobicContact CH2-CZ3 4Å; W46-W726 HydrophobicContact CZ2-CE3 4.12Å; W46-W726 HydrophobicContact CZ2-CH2 4.03Å; W46-W726 AromaticContact CZ2-CZ3 3.58Å; W46-W726 HydrophobicContact CZ2-CZ3 3.58Å; W46-W726 HydrophobicContact CZ3-CH2 4.36Å; W46-W726 PolarHBondContact NE1-O 3.3Å; W46-F727 HydrophobicContact CH2-CD1 4.25Å; W46-F727 HydrophobicContact CH2-CE1 4.11Å; W46-F727 AromaticContact CZ2-CD1 3.71Å; W46-F727 HydrophobicContact CZ2-CD1 3.71Å; W46-F727 HydrophobicContact CZ2-CE1 4.01Å |
| 47 | L | 93.5 | Very high | 82.3 | Confident | 61 Ų | 61 | 16.8 Ų | 16.8 | 32% | 0.319 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -69.5 | -54.2 | -176.6 | 173 | 68.8 | 0 | 0 | 0 | 112.4 | T45 V49 G50 A51 M324 | T45-L47 VanDerWaalsContact C-N 3.32Å; T45-L47 PolarHBondContact O-N 2.92Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 2.81Å; L47-G50 PolarHBondContact O-N 2.89Å; L47-A51 VanDerWaalsContact O-CB 3.26Å; L47-A51 WeakPolarHBondContact O-CB 3.4Å; L47-A51 PolarHBondContact O-N 2.8Å; L47-M324 HydrophobicContact CD1-CE 3.9Å; L47-M324 HydrophobicContact CD1-SD 3.77Å |
| 48 | P | 92.5 | Very high | 83.9 | Confident | 13 Ų | 13 | 15.5 Ų | 15.5 | 8% | 0.084 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.1 | -39.3 | 176.4 | -25.8 | 35.2 | 0 | 0 | 0 | 112.6 | T45 S52 T184 | T45-P48 WeakPolarHBondContact OG1-CD 3.39Å; P48-S52 WeakPolarHBondContact O-CB 3.32Å; P48-S52 PolarHBondContact O-N 3.05Å; P48-T184 WeakPolarHBondContact CA-OG1 3.49Å |
| 49 | V | 93.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 178 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | M44 T45 L47 S52 L53 L180 R308 A312 A321 | M44-V49 HydrophobicContact CB-CG2 3.59Å; T45-V49 VanDerWaalsContact O-CG2 3.28Å; T45-V49 WeakPolarHBondContact O-CG2 3.41Å; L47-V49 VanDerWaalsContact C-N 3.27Å; L47-V49 PolarHBondContact O-N 2.81Å; V49-S52 WeakPolarHBondContact O-CB 3.29Å; V49-L53 WeakPolarHBondContact O-CG 2.94Å; V49-L53 PolarHBondContact O-N 3.47Å; V49-L180 HydrophobicContact CG2-CD2 4.24Å; V49-R308 WeakPolarHBondContact CG1-O 3.22Å; V49-A312 HydrophobicContact CG2-CB 4.18Å; V49-A321 HydrophobicContact CB-CB 3.73Å; V49-A321 HydrophobicContact CG1-CB 3.51Å |
| 50 | G | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | W46 L47 L53 F54 M324 | W46-G50 PolarHBondContact O-N 2.67Å; L47-G50 PolarHBondContact O-N 2.89Å; G50-L53 PolarHBondContact O-N 2.98Å; G50-F54 PolarHBondContact O-N 2.91Å; G50-M324 VanDerWaalsContact C-CE 3.47Å |
| 51 | A | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L47 F54 A55 T184 F187 M324 | L47-A51 VanDerWaalsContact O-CB 3.26Å; L47-A51 WeakPolarHBondContact O-CB 3.4Å; L47-A51 PolarHBondContact O-N 2.8Å; A51-F54 PolarHBondContact O-N 3.49Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.42Å; A51-T184 HydrophobicContact CB-CG2 4.3Å; A51-F187 HydrophobicContact CB-CB 3.74Å; A51-F187 HydrophobicContact CB-CD1 3.76Å; A51-F187 HydrophobicContact CB-CD2 4.32Å; A51-F187 HydrophobicContact CB-CG 3.65Å; A51-M324 HydrophobicContact CB-CE 4.01Å |
| 52 | S | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 172.8 | 161.5 | 0 | 0 | 0 | 0 | 112.5 | P48 V49 F54 A55 S56 L180 R308 | P48-S52 WeakPolarHBondContact O-CB 3.32Å; P48-S52 PolarHBondContact O-N 3.05Å; V49-S52 WeakPolarHBondContact O-CB 3.29Å; S52-F54 PolarHBondContact O-N 2.6Å; S52-A55 PolarHBondContact O-N 3.05Å; S52-S56 WeakPolarHBondContact O-CB 3.25Å; S52-S56 PolarHBondContact O-N 2.77Å; S52-S56 PolarHBondContact O-OG 3.48Å; S52-L180 WeakPolarHBondContact OG-CD1 3.22Å; S52-R308 VanDerWaalsContact C-NH1 3.25Å; S52-R308 VanDerWaalsContact CA-NH1 3.28Å; S52-R308 PolarHBondContact O-NH1 3.29Å; S52-R308 VanDerWaalsContact OG-CD 3.23Å; S52-R308 WeakPolarHBondContact OG-CD 3.43Å; S52-R308 WeakPolarHBondContact OG-CG 2.95Å; S52-R308 VanDerWaalsContact OG-CZ 3.27Å; S52-R308 PolarHBondContact OG-NH1 3.32Å |
| 53 | L | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 174.4 | -83.1 | 176.3 | 0 | 0 | 0 | 112.6 | V49 G50 N57 L88 M305 R308 V309 T322 A325 | V49-L53 WeakPolarHBondContact O-CG 2.94Å; V49-L53 PolarHBondContact O-N 3.47Å; G50-L53 PolarHBondContact O-N 2.98Å; L53-N57 PolarHBondContact O-N 3.36Å; L53-L88 HydrophobicContact CD1-CD2 4.24Å; L53-M305 HydrophobicContact CD2-CE 4.21Å; L53-R308 HydrophobicContact CD2-CB 4.37Å; L53-V309 HydrophobicContact CD1-CG2 3.7Å; L53-V309 HydrophobicContact CD2-CG2 3.63Å; L53-V309 HydrophobicContact CG-CG2 3.94Å; L53-T322 HydrophobicContact CD1-CG2 4.11Å; L53-A325 HydrophobicContact CB-CB 4Å; L53-A325 HydrophobicContact CD1-CB 4.15Å |
| 54 | F | 94.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 8.7 Ų | 8.7 | 3% | 0.031 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -68.8 | -47.6 | 178.9 | 179.3 | -88.3 | 0 | 0 | 0 | 111.5 | G50 A51 S52 S56 N57 I58 F187 I191 I328 K329 P332 | G50-F54 PolarHBondContact O-N 2.91Å; A51-F54 PolarHBondContact O-N 3.49Å; S52-F54 PolarHBondContact O-N 2.6Å; F54-S56 VanDerWaalsContact C-N 3.3Å; F54-S56 PolarHBondContact O-N 3.49Å; F54-N57 PolarHBondContact O-N 3.14Å; F54-N57 VanDerWaalsContact O-N 3.11Å; F54-I58 HydrophobicContact CD1-CB 4.46Å; F54-I58 HydrophobicContact CD1-CG1 4.26Å; F54-I58 HydrophobicContact CD2-CG1 4.28Å; F54-I58 HydrophobicContact CE1-CB 4.03Å; F54-I58 HydrophobicContact CE1-CG1 3.76Å; F54-I58 HydrophobicContact CE1-CG2 4.44Å; F54-I58 HydrophobicContact CE2-CG1 3.74Å; F54-I58 HydrophobicContact CZ-CB 4.24Å; F54-I58 HydrophobicContact CZ-CG1 3.5Å; F54-I58 VanDerWaalsContact CZ-CG1 3.5Å; F54-I58 PolarHBondContact O-N 3.49Å; F54-F187 HydrophobicContact CB-CD2 4.19Å; F54-F187 HydrophobicContact CB-CE2 4.43Å; F54-F187 AromaticContact CD1-CD2 3.57Å; F54-F187 HydrophobicContact CD1-CD2 3.57Å; F54-F187 AromaticContact CD1-CE2 3.93Å; F54-F187 HydrophobicContact CD1-CE2 3.93Å; F54-F187 HydrophobicContact CE1-CD2 4.22Å; F54-F187 HydrophobicContact CE1-CE2 4.4Å; F54-F187 HydrophobicContact CG-CD2 4.09Å; F54-F187 HydrophobicContact CG-CE2 4.18Å; F54-I191 HydrophobicContact CE1-CD1 3.63Å; F54-I191 HydrophobicContact CE1-CG1 4.2Å; F54-I191 HydrophobicContact CE2-CD1 4.35Å; F54-I191 HydrophobicContact CZ-CD1 3.48Å; F54-I191 VanDerWaalsContact CZ-CD1 3.48Å; F54-I191 HydrophobicContact CZ-CG1 4.5Å; F54-I328 HydrophobicContact CD2-CB 4.16Å; F54-I328 HydrophobicContact CD2-CG2 3.57Å; F54-I328 HydrophobicContact CE2-CB 4.33Å; F54-I328 HydrophobicContact CE2-CG2 3.4Å; F54-I328 VanDerWaalsContact CE2-CG2 3.4Å; F54-I328 HydrophobicContact CG-CG2 4.22Å; F54-I328 HydrophobicContact CZ-CG2 3.9Å; F54-K329 HydrophobicContact CD2-CG 4.36Å; F54-P332 HydrophobicContact CE2-CG 4.33Å |
| 55 | A | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.8 | -30 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | A51 S52 D183 F187 M190 S400 | A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.42Å; S52-A55 PolarHBondContact O-N 3.05Å; A55-D183 HydrophobicContact CB-CB 4.15Å; A55-F187 HydrophobicContact CB-CB 4.4Å; A55-M190 HydrophobicContact CB-CE 3.42Å; A55-M190 VanDerWaalsContact CB-CE 3.42Å; A55-S400 WeakPolarHBondContact CB-OG 3.05Å; A55-S400 PolarHBondContact O-OG 2.87Å |
| 56 | S | 92.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -78.8 | -24.4 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | S52 F54 R308 S404 | S52-S56 WeakPolarHBondContact O-CB 3.25Å; S52-S56 PolarHBondContact O-N 2.77Å; S52-S56 PolarHBondContact O-OG 3.48Å; F54-S56 VanDerWaalsContact C-N 3.3Å; F54-S56 PolarHBondContact O-N 3.49Å; S56-R308 PolarHBondContact OG-NE 3.19Å; S56-R308 PolarHBondContact OG-NH1 3.22Å; S56-R308 PolarHBondContact OG-NH2 2.74Å; S56-S404 WeakPolarHBondContact CB-OG 3.4Å; S56-S404 PolarHBondContact OG-OG 2.97Å |
| 57 | N | 92.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 5.4 Ų | 5.4 | 3% | 0.032 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -84.2 | -42.8 | 174.1 | -171 | 38.2 | 0 | 0 | 0 | 111.8 | L53 F54 G59 H62 Y298 W299 M305 K329 | L53-N57 PolarHBondContact O-N 3.36Å; F54-N57 PolarHBondContact O-N 3.14Å; F54-N57 VanDerWaalsContact O-N 3.11Å; N57-G59 VanDerWaalsContact C-N 3.27Å; N57-G59 PolarHBondContact O-N 2.87Å; N57-H62 PolarHBondContact O-CE1 3.47Å; N57-H62 PolarHBondContact O-ND1 3.34Å; N57-Y298 WeakPolarHBondContact OD1-CE1 3.2Å; N57-Y298 VanDerWaalsContact OD1-CZ 3.28Å; N57-Y298 PolarHBondContact OD1-OH 3.13Å; N57-W299 HydrophobicContact CB-CH2 3.82Å; N57-W299 HydrophobicContact CB-CZ3 4.43Å; N57-W299 WeakPolarHBondContact ND2-CH2 3.49Å; N57-W299 WeakPolarHBondContact ND2-CZ2 3.39Å; N57-M305 HydrophobicContact CB-CE 3.93Å; N57-K329 WeakPolarHBondContact ND2-CE 3.49Å; N57-K329 PolarHBondContact ND2-NZ 2.91Å |
| 58 | I | 92.9 | Very high | 94 | Very high | 2 Ų | 2 | 2.5 Ų | 2.5 | 1% | 0.01 | 1% | 0.013 | C | C | . | . | S | Bend | trans | -80.4 | 79.2 | 178.3 | -64.3 | -63.7 | 0 | 0 | 0 | 109.5 | F54 H62 F63 M190 P332 I336 | F54-I58 HydrophobicContact CD1-CB 4.46Å; F54-I58 HydrophobicContact CD1-CG1 4.26Å; F54-I58 HydrophobicContact CD2-CG1 4.28Å; F54-I58 HydrophobicContact CE1-CB 4.03Å; F54-I58 HydrophobicContact CE1-CG1 3.76Å; F54-I58 HydrophobicContact CE1-CG2 4.44Å; F54-I58 HydrophobicContact CE2-CG1 3.74Å; F54-I58 HydrophobicContact CZ-CB 4.24Å; F54-I58 HydrophobicContact CZ-CG1 3.5Å; F54-I58 VanDerWaalsContact CZ-CG1 3.5Å; F54-I58 PolarHBondContact O-N 3.49Å; I58-H62 HydrophobicContact CD1-CB 4.06Å; I58-F63 HydrophobicContact CG2-CD2 4.31Å; I58-F63 HydrophobicContact CG2-CE2 3.64Å; I58-F63 HydrophobicContact CG2-CZ 4.07Å; I58-M190 HydrophobicContact CG2-SD 4.28Å; I58-P332 HydrophobicContact CD1-CB 4.4Å; I58-P332 HydrophobicContact CD1-CG 3.96Å; I58-I336 HydrophobicContact CD1-CD1 4.38Å; I58-I336 HydrophobicContact CG2-CD1 4.33Å |
| 59 | G | 90.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -89.2 | -171.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N57 E61 H62 F63 | N57-G59 VanDerWaalsContact C-N 3.27Å; N57-G59 PolarHBondContact O-N 2.87Å; G59-E61 VanDerWaalsContact C-N 3.26Å; G59-E61 WeakPolarHBondContact CA-OE1 3.28Å; G59-E61 WeakPolarHBondContact CA-OE2 3.47Å; G59-E61 PolarHBondContact N-OE1 3.5Å; G59-E61 PolarHBondContact O-N 3.05Å; G59-H62 PolarHBondContact O-N 3.27Å; G59-F63 PolarHBondContact O-N 2.9Å | ||
| 60 | S | 90.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 1.9 Ų | 1.9 | 2% | 0.021 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -64.8 | -29.8 | 177.2 | 48 | 0 | 0 | 0 | 0 | 113.3 | H62 F63 I64 N140 S143 L398 | S60-H62 PolarHBondContact O-N 3.01Å; S60-F63 PolarHBondContact O-N 3.09Å; S60-I64 VanDerWaalsContact O-CB 3.24Å; S60-I64 WeakPolarHBondContact O-CB 3.43Å; S60-I64 VanDerWaalsContact O-CG1 3.28Å; S60-I64 WeakPolarHBondContact O-CG1 3.39Å; S60-I64 PolarHBondContact O-N 2.86Å; S60-N140 PolarHBondContact OG-O 2.99Å; S60-S143 WeakPolarHBondContact CB-OG 3.46Å; S60-S143 PolarHBondContact OG-OG 3.05Å; S60-L398 WeakPolarHBondContact OG-CD2 3.24Å |
| 61 | E | 92.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 1.9 Ų | 1.9 | 5% | 0.051 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -62.8 | -25.9 | 175.4 | 73.4 | -63 | 150.8 | 0 | 0 | 112.5 | G59 G65 L66 V139 N140 I464 | G59-E61 VanDerWaalsContact C-N 3.26Å; G59-E61 WeakPolarHBondContact CA-OE1 3.28Å; G59-E61 WeakPolarHBondContact CA-OE2 3.47Å; G59-E61 PolarHBondContact N-OE1 3.5Å; G59-E61 PolarHBondContact O-N 3.05Å; E61-G65 CarbonylContact O-C 3.51Å; E61-G65 WeakPolarHBondContact O-CA 3.49Å; E61-G65 PolarHBondContact O-N 3.36Å; E61-L66 PolarHBondContact O-N 2.86Å; E61-L66 VanDerWaalsContact O-N 3.09Å; E61-V139 HydrophobicContact CB-CG1 3.89Å; E61-N140 PolarHBondContact OE2-OD1 3.37Å; E61-I464 HydrophobicContact CB-CD1 3.97Å; E61-I464 HydrophobicContact CG-CD1 4.45Å |
| 62 | H | 95.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 2.7 Ų | 2.7 | 3% | 0.028 | 2% | 0.016 | C | C | . | . | I | π-helix | trans | -76.7 | -50.8 | 169.6 | -69.5 | 75.3 | 0 | 0 | 0 | 110.5 | N57 I58 G59 S60 I64 L66 A67 E81 I336 Y461 | N57-H62 PolarHBondContact O-CE1 3.47Å; N57-H62 PolarHBondContact O-ND1 3.34Å; I58-H62 HydrophobicContact CD1-CB 4.06Å; G59-H62 PolarHBondContact O-N 3.27Å; S60-H62 PolarHBondContact O-N 3.01Å; H62-I64 VanDerWaalsContact C-N 3.26Å; H62-I64 PolarHBondContact O-N 2.91Å; H62-L66 HydrophobicContact CB-CB 4.38Å; H62-L66 WeakPolarHBondContact O-CA 3.38Å; H62-L66 WeakPolarHBondContact O-CB 3.38Å; H62-L66 PolarHBondContact O-N 3.03Å; H62-A67 PolarHBondContact O-N 3.33Å; H62-E81 IonicContact CD2-OE1 2.74Å; H62-E81 PolarHBondContact CD2-OE1 3.18Å; H62-E81 IonicContact NE2-OE1 3.77Å; H62-E81 PolarHBondContact NE2-OE1 2.89Å; H62-I336 HydrophobicContact CB-CD1 4.34Å; H62-I336 WeakPolarHBondContact O-CG2 3.3Å; H62-Y461 AromaticContact CD2-CE2 3.94Å; H62-Y461 AromaticContact NE2-CE2 3.89Å; H62-Y461 PolarHBondContact NE2-OH 3.42Å |
| 63 | F | 94.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 2.9 Ų | 2.9 | 1% | 0.009 | 2% | 0.017 | C | C | . | . | I | π-helix | trans | -63.8 | -31 | 180 | -73.7 | -69.5 | 0 | 0 | 0 | 114 | I58 G59 S60 A67 M190 A194 I336 Y374 V393 M394 A397 | I58-F63 HydrophobicContact CG2-CD2 4.31Å; I58-F63 HydrophobicContact CG2-CE2 3.64Å; I58-F63 HydrophobicContact CG2-CZ 4.07Å; G59-F63 PolarHBondContact O-N 2.9Å; S60-F63 PolarHBondContact O-N 3.09Å; F63-A67 WeakPolarHBondContact O-CB 3.23Å; F63-M190 HydrophobicContact CE2-SD 4.48Å; F63-A194 HydrophobicContact CE1-CB 4.02Å; F63-A194 HydrophobicContact CZ-CB 4.31Å; F63-I336 HydrophobicContact CD1-CD1 3.9Å; F63-I336 HydrophobicContact CD1-CG1 4.07Å; F63-I336 HydrophobicContact CE1-CD1 3.78Å; F63-I336 HydrophobicContact CE1-CG1 3.94Å; F63-I336 HydrophobicContact CG-CD1 4.46Å; F63-I336 HydrophobicContact CZ-CD1 4.23Å; F63-Y374 HydrophobicContact CB-CD1 4.18Å; F63-Y374 HydrophobicContact CB-CE1 4.29Å; F63-Y374 HydrophobicContact CD1-CD1 4.07Å; F63-Y374 AromaticContact CD1-CE1 3.41Å; F63-Y374 HydrophobicContact CD1-CE1 3.41Å; F63-Y374 VanDerWaalsContact CD1-CE1 3.41Å; F63-Y374 AromaticContact CD1-CE2 3.92Å; F63-Y374 HydrophobicContact CD1-CE2 3.92Å; F63-Y374 AromaticContact CD1-CZ 3.31Å; F63-Y374 WeakPolarHBondContact CD1-OH 3.21Å; F63-Y374 HydrophobicContact CE1-CE1 4.03Å; F63-Y374 HydrophobicContact CE1-CE2 4.41Å; F63-Y374 AromaticContact CE1-CZ 3.65Å; F63-Y374 WeakPolarHBondContact CE1-OH 3.42Å; F63-Y374 HydrophobicContact CG-CE1 4.18Å; F63-Y374 WeakPolarHBondContact O-CB 3.1Å; F63-V393 HydrophobicContact CE2-CG1 4.37Å; F63-V393 HydrophobicContact CZ-CG1 4.03Å; F63-M394 HydrophobicContact CB-CE 3.82Å; F63-M394 HydrophobicContact CB-SD 3.39Å; F63-M394 WeakPolarHBondContact CB-SD 3.22Å; F63-M394 HydrophobicContact CD1-CE 3.45Å; F63-M394 VanDerWaalsContact CD1-CE 3.45Å; F63-M394 HydrophobicContact CD1-SD 4.16Å; F63-M394 HydrophobicContact CD2-CE 3.28Å; F63-M394 HydrophobicContact CD2-SD 3.87Å; F63-M394 HydrophobicContact CE1-CE 3.68Å; F63-M394 HydrophobicContact CE2-CE 3.52Å; F63-M394 HydrophobicContact CG-CE 3.21Å; F63-M394 HydrophobicContact CG-SD 3.55Å; F63-M394 VanDerWaalsContact CG-SD 3.55Å; F63-M394 HydrophobicContact CZ-CE 3.7Å; F63-A397 HydrophobicContact CD2-CB 4Å; F63-A397 HydrophobicContact CE2-CB 3.9Å |
| 64 | I | 94.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 2.8 Ų | 2.8 | 1% | 0.005 | 2% | 0.017 | C | C | . | . | I | π-helix | trans | -96.9 | -55.5 | -178.9 | -61.2 | -63.4 | 0 | 0 | 0 | 110.9 | S60 H62 G68 L146 F147 N371 P375 | S60-I64 VanDerWaalsContact O-CB 3.24Å; S60-I64 WeakPolarHBondContact O-CB 3.43Å; S60-I64 VanDerWaalsContact O-CG1 3.28Å; S60-I64 WeakPolarHBondContact O-CG1 3.39Å; S60-I64 PolarHBondContact O-N 2.86Å; H62-I64 VanDerWaalsContact C-N 3.26Å; H62-I64 PolarHBondContact O-N 2.91Å; I64-G68 WeakPolarHBondContact O-CA 3.19Å; I64-G68 PolarHBondContact O-N 3.01Å; I64-L146 HydrophobicContact CG2-CD2 3.71Å; I64-F147 HydrophobicContact CD1-CB 3.97Å; I64-F147 HydrophobicContact CD1-CD2 4.48Å; I64-N371 HydrophobicContact CG2-CB 4Å; I64-P375 HydrophobicContact CD1-CG 3.42Å; I64-P375 VanDerWaalsContact CD1-CG 3.42Å |
| 65 | G | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.016 | C | C | . | . | I | π-helix | trans | -74.1 | -54.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E61 A67 G68 S69 | E61-G65 CarbonylContact O-C 3.51Å; E61-G65 WeakPolarHBondContact O-CA 3.49Å; E61-G65 PolarHBondContact O-N 3.36Å; G65-A67 PolarHBondContact O-N 3.25Å; G65-G68 PolarHBondContact O-N 2.02Å; G65-G68 VanDerWaalsContact O-N 3.14Å; G65-S69 PolarHBondContact O-N 2.78Å |
| 66 | L | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 2% | 0.017 | C | C | . | . | I | π-helix | trans | -64.6 | -41.1 | -176.6 | -175.9 | 71.8 | 0 | 0 | 0 | 111.2 | E61 H62 G70 V77 E81 I336 V337 Y461 | E61-L66 PolarHBondContact O-N 2.86Å; E61-L66 VanDerWaalsContact O-N 3.09Å; H62-L66 HydrophobicContact CB-CB 4.38Å; H62-L66 WeakPolarHBondContact O-CA 3.38Å; H62-L66 WeakPolarHBondContact O-CB 3.38Å; H62-L66 PolarHBondContact O-N 3.03Å; L66-G70 PolarHBondContact O-N 3.36Å; L66-V77 HydrophobicContact CD1-CB 4Å; L66-V77 HydrophobicContact CD1-CG1 3.6Å; L66-V77 HydrophobicContact CD1-CG2 3.4Å; L66-V77 VanDerWaalsContact CD1-CG2 3.4Å; L66-V77 HydrophobicContact CG-CG1 4.34Å; L66-E81 HydrophobicContact CD2-CG 3.9Å; L66-I336 HydrophobicContact CB-CG2 4.35Å; L66-I336 HydrophobicContact CD2-CG2 4.3Å; L66-I336 HydrophobicContact CG-CG2 4.47Å; L66-V337 HydrophobicContact CD1-CG2 4.13Å; L66-V337 HydrophobicContact CD2-CG2 3.9Å; L66-V337 HydrophobicContact CG-CG2 3.74Å; L66-Y461 HydrophobicContact CB-CD2 3.9Å; L66-Y461 HydrophobicContact CB-CE2 4.04Å; L66-Y461 HydrophobicContact CB-CG 4.33Å; L66-Y461 HydrophobicContact CD1-CD1 4.08Å; L66-Y461 HydrophobicContact CD1-CD2 4.43Å; L66-Y461 HydrophobicContact CD1-CE1 3.89Å; L66-Y461 HydrophobicContact CD1-CE2 4.24Å; L66-Y461 HydrophobicContact CD1-CG 4.34Å |
| 67 | A | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -65.7 | -37.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H62 F63 G65 G70 A71 I336 G340 Y374 | H62-A67 PolarHBondContact O-N 3.33Å; F63-A67 WeakPolarHBondContact O-CB 3.23Å; G65-A67 PolarHBondContact O-N 3.25Å; A67-G70 CarbonylContact O-C 3.55Å; A67-G70 PolarHBondContact O-N 2.92Å; A67-A71 WeakPolarHBondContact O-CB 2.89Å; A67-A71 PolarHBondContact O-N 3.47Å; A67-I336 HydrophobicContact CB-CG2 3.81Å; A67-G340 WeakPolarHBondContact O-CA 3.38Å; A67-Y374 HydrophobicContact CB-CD2 3.87Å; A67-Y374 HydrophobicContact CB-CG 4.2Å |
| 68 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | I64 G65 G70 A71 A72 S370 | I64-G68 WeakPolarHBondContact O-CA 3.19Å; I64-G68 PolarHBondContact O-N 3.01Å; G65-G68 PolarHBondContact O-N 2.02Å; G65-G68 VanDerWaalsContact O-N 3.14Å; G68-G70 VanDerWaalsContact C-N 3.29Å; G68-G70 PolarHBondContact O-N 2.91Å; G68-A71 CarbonylContact O-C 3.41Å; G68-A71 WeakPolarHBondContact O-CA 3.45Å; G68-A71 WeakPolarHBondContact O-CB 3.14Å; G68-A71 PolarHBondContact O-N 3.29Å; G68-A72 PolarHBondContact O-N 3.33Å; G68-S370 WeakPolarHBondContact CA-O 3.12Å; G68-S370 WeakPolarHBondContact O-CB 3.1Å; G68-S370 PolarHBondContact O-OG 2.59Å |
| 69 | S | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 170 | -75.3 | 0 | 0 | 0 | 0 | 111.7 | G65 A71 A72 A73 Q459 | G65-S69 PolarHBondContact O-N 2.78Å; S69-A71 VanDerWaalsContact C-N 3.29Å; S69-A71 PolarHBondContact O-N 2.88Å; S69-A72 PolarHBondContact O-N 3.24Å; S69-A73 VanDerWaalsContact O-CB 3.3Å; S69-A73 WeakPolarHBondContact O-CB 2.96Å; S69-A73 PolarHBondContact O-N 3.26Å; S69-Q459 PolarHBondContact OG-OE1 3.48Å |
| 70 | G | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -57.6 | -41.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L66 A67 G68 G74 M341 | L66-G70 PolarHBondContact O-N 3.36Å; A67-G70 CarbonylContact O-C 3.55Å; A67-G70 PolarHBondContact O-N 2.92Å; G68-G70 VanDerWaalsContact C-N 3.29Å; G68-G70 PolarHBondContact O-N 2.91Å; G70-G74 WeakPolarHBondContact CA-O 3.44Å; G70-G74 WeakPolarHBondContact O-CA 3.46Å; G70-G74 PolarHBondContact O-N 3.29Å; G70-M341 WeakPolarHBondContact O-CG 3.45Å |
| 71 | A | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -70.6 | -33.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A67 G68 S69 Y215 G340 R344 I351 A373 | A67-A71 WeakPolarHBondContact O-CB 2.89Å; A67-A71 PolarHBondContact O-N 3.47Å; G68-A71 CarbonylContact O-C 3.41Å; G68-A71 WeakPolarHBondContact O-CA 3.45Å; G68-A71 WeakPolarHBondContact O-CB 3.14Å; G68-A71 PolarHBondContact O-N 3.29Å; S69-A71 VanDerWaalsContact C-N 3.29Å; S69-A71 PolarHBondContact O-N 2.88Å; A71-Y215 PolarHBondContact O-OH 2.66Å; A71-G340 WeakPolarHBondContact CB-O 3.44Å; A71-R344 HydrophobicContact CB-CB 4.38Å; A71-R344 WeakPolarHBondContact O-CD 2.8Å; A71-I351 HydrophobicContact CB-CG2 3.8Å; A71-A373 HydrophobicContact CB-CB 3.56Å |
| 72 | A | 95 | Very high | 95.4 | Very high | 18 Ų | 18 | 2.4 Ų | 2.4 | 15% | 0.149 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -79.6 | -51.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G68 S69 Y215 P267 Q459 | G68-A72 PolarHBondContact O-N 3.33Å; S69-A72 PolarHBondContact O-N 3.24Å; A72-Y215 PolarHBondContact O-OH 2.65Å; A72-P267 WeakPolarHBondContact O-CD 3.49Å; A72-Q459 HydrophobicContact CB-CG 3.9Å |
| 73 | A | 93.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 2.4 Ų | 2.4 | 3% | 0.025 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -103.3 | -24.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S69 P267 A270 R275 E281 | S69-A73 VanDerWaalsContact O-CB 3.3Å; S69-A73 WeakPolarHBondContact O-CB 2.96Å; S69-A73 PolarHBondContact O-N 3.26Å; A73-P267 VanDerWaalsContact O-CG 3.28Å; A73-P267 WeakPolarHBondContact O-CG 3.28Å; A73-A270 WeakPolarHBondContact O-CA 3.37Å; A73-R275 PolarHBondContact O-NH2 2.84Å; A73-E281 WeakPolarHBondContact CB-OE2 3.18Å |
| 74 | G | 95 | Very high | 95.4 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 2% | 0.016 | C | C | . | . | trans | 92.3 | -152.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G70 A76 Y215 A270 | G70-G74 WeakPolarHBondContact CA-O 3.44Å; G70-G74 WeakPolarHBondContact O-CA 3.46Å; G70-G74 PolarHBondContact O-N 3.29Å; G74-A76 VanDerWaalsContact C-N 3.26Å; G74-A76 PolarHBondContact O-N 3.44Å; G74-Y215 PolarHBondContact N-OH 3.25Å; G74-A270 CarbonylContact C-O 3.5Å; G74-A270 WeakPolarHBondContact CA-O 3.33Å | ||
| 75 | I | 95.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 2.4 Ų | 2.4 | 1% | 0.01 | 2% | 0.016 | C | C | . | . | G | 310 helix | trans | -74.4 | -11.5 | -166.1 | 75.5 | 177.1 | 0 | 0 | 0 | 114.5 | V77 G78 A270 F271 L273 L333 I338 M341 F837 | I75-V77 PolarHBondContact O-N 2.88Å; I75-V77 VanDerWaalsContact O-N 3.15Å; I75-G78 WeakPolarHBondContact O-CA 3.27Å; I75-G78 PolarHBondContact O-N 2.96Å; I75-A270 PolarHBondContact N-O 2.92Å; I75-F271 HydrophobicContact CD1-CB 4.46Å; I75-F271 WeakPolarHBondContact CD1-O 3.34Å; I75-F271 HydrophobicContact CG2-CD1 4.24Å; I75-L273 HydrophobicContact CG1-CD1 4.49Å; I75-L273 WeakPolarHBondContact O-CD1 3.37Å; I75-L333 HydrophobicContact CB-CD1 4.17Å; I75-I338 HydrophobicContact CG2-CG1 4.42Å; I75-M341 HydrophobicContact CG2-CE 4.18Å; I75-M341 HydrophobicContact CG2-SD 3.48Å; I75-M341 WeakPolarHBondContact CG2-SD 3.43Å; I75-F837 HydrophobicContact CD1-CB 3.92Å; I75-F837 HydrophobicContact CD1-CD1 3.68Å; I75-F837 HydrophobicContact CD1-CG 4.13Å |
| 76 | A | 95 | Very high | 95.5 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | G | 310 helix | trans | -52.4 | -38.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G74 G78 A79 L273 M282 | G74-A76 VanDerWaalsContact C-N 3.26Å; G74-A76 PolarHBondContact O-N 3.44Å; A76-G78 PolarHBondContact O-N 3.15Å; A76-G78 VanDerWaalsContact O-N 3.17Å; A76-A79 WeakPolarHBondContact O-CB 3.19Å; A76-A79 PolarHBondContact O-N 2.86Å; A76-L273 WeakPolarHBondContact CA-O 3.28Å; A76-M282 HydrophobicContact CB-CB 3.91Å; A76-M282 HydrophobicContact CB-CG 4.13Å; A76-M282 WeakPolarHBondContact O-CE 3.16Å |
| 77 | V | 95.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 5 Ų | 5 | 2% | 0.018 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -65.8 | -17.8 | 177.2 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | L66 I75 A79 F80 V337 Y461 I462 | L66-V77 HydrophobicContact CD1-CB 4Å; L66-V77 HydrophobicContact CD1-CG1 3.6Å; L66-V77 HydrophobicContact CD1-CG2 3.4Å; L66-V77 VanDerWaalsContact CD1-CG2 3.4Å; L66-V77 HydrophobicContact CG-CG1 4.34Å; I75-V77 PolarHBondContact O-N 2.88Å; I75-V77 VanDerWaalsContact O-N 3.15Å; V77-A79 PolarHBondContact O-N 3.26Å; V77-A79 VanDerWaalsContact O-N 3.16Å; V77-F80 HydrophobicContact CG2-CD2 3.86Å; V77-F80 HydrophobicContact CG2-CE2 4.06Å; V77-F80 WeakPolarHBondContact O-CD2 3.33Å; V77-F80 PolarHBondContact O-N 2.85Å; V77-V337 HydrophobicContact CG1-CG1 3.91Å; V77-V337 HydrophobicContact CG1-CG2 3.92Å; V77-Y461 HydrophobicContact CG2-CD1 3.71Å; V77-Y461 HydrophobicContact CG2-CE1 4.11Å; V77-I462 HydrophobicContact CG2-CD1 4.38Å |
| 78 | G | 95 | Very high | 95.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.029 | C | C | . | . | G | 310 helix | trans | -62.4 | -16.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I75 A76 F80 E81 L82 | I75-G78 WeakPolarHBondContact O-CA 3.27Å; I75-G78 PolarHBondContact O-N 2.96Å; A76-G78 PolarHBondContact O-N 3.15Å; A76-G78 VanDerWaalsContact O-N 3.17Å; G78-F80 PolarHBondContact O-N 3.07Å; G78-E81 PolarHBondContact O-N 2.67Å; G78-E81 VanDerWaalsContact O-N 3.14Å; G78-L82 PolarHBondContact O-N 3.32Å |
| 79 | A | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -58.4 | -36.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A76 V77 E81 L82 N83 L273 L274 M282 F287 F834 | A76-A79 WeakPolarHBondContact O-CB 3.19Å; A76-A79 PolarHBondContact O-N 2.86Å; V77-A79 PolarHBondContact O-N 3.26Å; V77-A79 VanDerWaalsContact O-N 3.16Å; A79-E81 VanDerWaalsContact C-N 3.3Å; A79-E81 PolarHBondContact O-N 3.47Å; A79-L82 PolarHBondContact O-N 3.35Å; A79-N83 WeakPolarHBondContact O-CB 3.28Å; A79-N83 PolarHBondContact O-N 3.04Å; A79-L273 HydrophobicContact CB-CD1 4.03Å; A79-L273 HydrophobicContact CB-CD2 4.4Å; A79-L273 HydrophobicContact CB-CG 4Å; A79-L273 VanDerWaalsContact N-CD1 3.29Å; A79-L274 HydrophobicContact CB-CD2 4.31Å; A79-M282 HydrophobicContact CB-SD 4.18Å; A79-F287 HydrophobicContact CB-CD1 4.38Å; A79-F287 HydrophobicContact CB-CD2 4.35Å; A79-F287 HydrophobicContact CB-CE1 3.84Å; A79-F287 HydrophobicContact CB-CE2 3.77Å; A79-F287 HydrophobicContact CB-CZ 3.51Å; A79-F287 VanDerWaalsContact O-CZ 3.29Å; A79-F287 WeakPolarHBondContact O-CZ 3.4Å; A79-F834 HydrophobicContact CB-CE1 3.97Å; A79-F834 WeakPolarHBondContact O-CZ 3.39Å |
| 80 | F | 95.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 7.5 Ų | 7.5 | 4% | 0.039 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.7 | -71.8 | -87.2 | 0 | 0 | 0 | 112.2 | V77 G78 N83 A84 M282 F287 Q291 Y461 I462 Q465 M535 | V77-F80 HydrophobicContact CG2-CD2 3.86Å; V77-F80 HydrophobicContact CG2-CE2 4.06Å; V77-F80 WeakPolarHBondContact O-CD2 3.33Å; V77-F80 PolarHBondContact O-N 2.85Å; G78-F80 PolarHBondContact O-N 3.07Å; F80-N83 PolarHBondContact O-N 2.75Å; F80-A84 VanDerWaalsContact O-CB 3.29Å; F80-A84 WeakPolarHBondContact O-CB 3.2Å; F80-A84 PolarHBondContact O-N 3.46Å; F80-M282 HydrophobicContact CD2-CE 4.02Å; F80-M282 HydrophobicContact CE2-CE 3.46Å; F80-M282 VanDerWaalsContact CE2-CE 3.46Å; F80-M282 HydrophobicContact CE2-SD 4.46Å; F80-M282 HydrophobicContact CZ-CE 4.32Å; F80-F287 HydrophobicContact CD1-CE2 4.05Å; F80-F287 HydrophobicContact CD2-CE2 4.18Å; F80-F287 HydrophobicContact CE1-CE2 4.18Å; F80-F287 HydrophobicContact CE2-CE2 4.3Å; F80-F287 HydrophobicContact CG-CE2 4.06Å; F80-F287 HydrophobicContact CZ-CE2 4.28Å; F80-Q291 HydrophobicContact CD1-CG 4.04Å; F80-Q291 HydrophobicContact CE1-CG 3.57Å; F80-Q291 HydrophobicContact CZ-CG 4.34Å; F80-Y461 HydrophobicContact CB-CE1 4.2Å; F80-Y461 HydrophobicContact CD1-CE1 4.26Å; F80-Y461 HydrophobicContact CD2-CD1 4.45Å; F80-Y461 AromaticContact CD2-CE1 3.83Å; F80-Y461 HydrophobicContact CD2-CE1 3.83Å; F80-Y461 HydrophobicContact CE2-CD1 4.48Å; F80-Y461 HydrophobicContact CE2-CE1 4.2Å; F80-Y461 AromaticContact CG-CE1 3.87Å; F80-Y461 HydrophobicContact CG-CE1 3.87Å; F80-I462 HydrophobicContact CE2-CD1 4.19Å; F80-Q465 HydrophobicContact CD1-CG 4.21Å; F80-Q465 HydrophobicContact CE1-CB 4.02Å; F80-Q465 HydrophobicContact CE1-CG 3.51Å; F80-Q465 HydrophobicContact CZ-CB 4.06Å; F80-Q465 HydrophobicContact CZ-CG 3.73Å; F80-M535 HydrophobicContact CZ-CE 4.01Å |
| 81 | E | 95.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.009 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -74.2 | -40.5 | -178.3 | -62 | -63.1 | 144.8 | 0 | 0 | 112 | H62 L66 G78 A79 N83 A84 S85 K329 P332 | H62-E81 IonicContact CD2-OE1 2.74Å; H62-E81 PolarHBondContact CD2-OE1 3.18Å; H62-E81 IonicContact NE2-OE1 3.77Å; H62-E81 PolarHBondContact NE2-OE1 2.89Å; L66-E81 HydrophobicContact CD2-CG 3.9Å; G78-E81 PolarHBondContact O-N 2.67Å; G78-E81 VanDerWaalsContact O-N 3.14Å; A79-E81 VanDerWaalsContact C-N 3.3Å; A79-E81 PolarHBondContact O-N 3.47Å; E81-N83 VanDerWaalsContact C-N 3.34Å; E81-A84 WeakPolarHBondContact O-CB 3.3Å; E81-A84 PolarHBondContact O-N 3.34Å; E81-S85 PolarHBondContact O-N 3.27Å; E81-K329 IonicContact OE1-NZ 3.94Å; E81-K329 WeakPolarHBondContact OE2-CD 3.12Å; E81-K329 IonicContact OE2-NZ 2.6Å; E81-K329 PolarHBondContact OE2-NZ 3.38Å; E81-P332 HydrophobicContact CG-CB 3.95Å |
| 82 | L | 94.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 2% | 0.016 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 173.4 | -62.1 | -174.1 | 0 | 0 | 0 | 111.6 | G78 A79 S85 L273 F834 | G78-L82 PolarHBondContact O-N 3.32Å; A79-L82 PolarHBondContact O-N 3.35Å; L82-S85 WeakPolarHBondContact O-CB 3.18Å; L82-S85 PolarHBondContact O-N 3.17Å; L82-L273 HydrophobicContact CD1-CD2 3.68Å; L82-F834 HydrophobicContact CB-CD2 3.91Å; L82-F834 HydrophobicContact CB-CE1 4.3Å; L82-F834 HydrophobicContact CB-CE2 3.4Å; L82-F834 VanDerWaalsContact CB-CE2 3.4Å; L82-F834 HydrophobicContact CB-CZ 3.62Å; L82-F834 HydrophobicContact CD1-CD1 4.46Å; L82-F834 HydrophobicContact CD1-CD2 4.32Å; L82-F834 HydrophobicContact CD1-CG 4.27Å |
| 83 | N | 95.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 8.2 Ų | 8.2 | 4% | 0.037 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 175.5 | -163.4 | 20.7 | 0 | 0 | 0 | 111.5 | A79 F80 E81 S85 I86 L87 F287 T292 F834 | A79-N83 WeakPolarHBondContact O-CB 3.28Å; A79-N83 PolarHBondContact O-N 3.04Å; F80-N83 PolarHBondContact O-N 2.75Å; E81-N83 VanDerWaalsContact C-N 3.34Å; N83-S85 VanDerWaalsContact C-N 3.27Å; N83-S85 PolarHBondContact O-N 2.92Å; N83-I86 PolarHBondContact O-N 3.49Å; N83-I86 VanDerWaalsContact O-N 3.11Å; N83-L87 WeakPolarHBondContact O-CG 3.4Å; N83-L87 PolarHBondContact O-N 3.39Å; N83-F287 HydrophobicContact CB-CE1 4Å; N83-F287 HydrophobicContact CB-CZ 3.86Å; N83-T292 PolarHBondContact ND2-OG1 2.68Å; N83-F834 HydrophobicContact CB-CZ 4.07Å |
| 84 | A | 95.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 3% | 0.025 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -55.3 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | F80 E81 I86 L87 L88 W299 K329 | F80-A84 VanDerWaalsContact O-CB 3.29Å; F80-A84 WeakPolarHBondContact O-CB 3.2Å; F80-A84 PolarHBondContact O-N 3.46Å; E81-A84 WeakPolarHBondContact O-CB 3.3Å; E81-A84 PolarHBondContact O-N 3.34Å; A84-I86 VanDerWaalsContact C-N 3.32Å; A84-I86 PolarHBondContact O-N 3.3Å; A84-L87 PolarHBondContact O-N 3.03Å; A84-L88 WeakPolarHBondContact O-CB 3.08Å; A84-L88 PolarHBondContact O-N 2.97Å; A84-W299 HydrophobicContact CB-CH2 4.23Å; A84-W299 HydrophobicContact CB-CZ2 3.26Å; A84-K329 HydrophobicContact CB-CD 4.46Å |
| 85 | S | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -57 | -43.8 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 112.7 | E81 L82 N83 Q89 G326 Q330 T826 S830 | E81-S85 PolarHBondContact O-N 3.27Å; L82-S85 WeakPolarHBondContact O-CB 3.18Å; L82-S85 PolarHBondContact O-N 3.17Å; N83-S85 VanDerWaalsContact C-N 3.27Å; N83-S85 PolarHBondContact O-N 2.92Å; S85-Q89 WeakPolarHBondContact O-CG 3.33Å; S85-Q89 PolarHBondContact O-NE2 3.31Å; S85-G326 WeakPolarHBondContact CB-O 3.45Å; S85-G326 PolarHBondContact OG-O 2.97Å; S85-G326 VanDerWaalsContact OG-O 3.13Å; S85-Q330 PolarHBondContact OG-NE2 3.32Å; S85-T826 WeakPolarHBondContact OG-CG2 3.38Å; S85-S830 WeakPolarHBondContact CB-OG 2.99Å; S85-S830 PolarHBondContact OG-OG 3.47Å |
| 86 | I | 95.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 9.4 Ų | 9.4 | 25% | 0.246 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.7 | -43.2 | 178.7 | -60.7 | 174 | 0 | 0 | 0 | 110.3 | N83 A84 L88 Q89 L90 F834 | N83-I86 PolarHBondContact O-N 3.49Å; N83-I86 VanDerWaalsContact O-N 3.11Å; A84-I86 VanDerWaalsContact C-N 3.32Å; A84-I86 PolarHBondContact O-N 3.3Å; I86-L88 PolarHBondContact O-N 2.66Å; I86-Q89 WeakPolarHBondContact O-CA 3.26Å; I86-Q89 WeakPolarHBondContact O-CB 3.39Å; I86-Q89 PolarHBondContact O-N 2.65Å; I86-L90 PolarHBondContact O-N 2.8Å; I86-L90 VanDerWaalsContact O-N 3.09Å; I86-F834 HydrophobicContact CD1-CE2 4.31Å |
| 87 | L | 96.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 9.4 Ų | 9.4 | 3% | 0.031 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -73 | -27.5 | -176.9 | -65.5 | -178.7 | 0 | 0 | 0 | 114 | N83 A84 Q89 L90 L91 T292 I296 W299 | N83-L87 WeakPolarHBondContact O-CG 3.4Å; N83-L87 PolarHBondContact O-N 3.39Å; A84-L87 PolarHBondContact O-N 3.03Å; L87-Q89 PolarHBondContact O-N 3.19Å; L87-L90 HydrophobicContact CD2-CB 4.45Å; L87-L90 HydrophobicContact CD2-CD2 3.87Å; L87-L90 WeakPolarHBondContact O-CB 3.32Å; L87-L90 PolarHBondContact O-N 3.13Å; L87-L91 PolarHBondContact O-N 3.45Å; L87-T292 HydrophobicContact CD1-CG2 4.45Å; L87-T292 HydrophobicContact CD2-CG2 4.13Å; L87-I296 HydrophobicContact CD1-CG1 4.41Å; L87-I296 HydrophobicContact CD2-CG1 3.72Å; L87-W299 HydrophobicContact CB-CB 4.05Å; L87-W299 HydrophobicContact CB-CG 3.95Å |
| 88 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.4 | -37 | 166 | -87 | 166.1 | 0 | 0 | 0 | 111.9 | L53 A84 I86 L91 G92 W299 T322 A325 K329 | L53-L88 HydrophobicContact CD1-CD2 4.24Å; A84-L88 WeakPolarHBondContact O-CB 3.08Å; A84-L88 PolarHBondContact O-N 2.97Å; I86-L88 PolarHBondContact O-N 2.66Å; L88-L91 WeakPolarHBondContact O-CB 3.2Å; L88-L91 PolarHBondContact O-N 3.39Å; L88-G92 PolarHBondContact O-N 2.96Å; L88-G92 VanDerWaalsContact O-N 3.12Å; L88-W299 HydrophobicContact CD1-CE3 4.19Å; L88-W299 HydrophobicContact CD1-CH2 3.92Å; L88-W299 HydrophobicContact CD1-CZ3 3.66Å; L88-W299 HydrophobicContact CD2-CD2 4.44Å; L88-W299 HydrophobicContact CD2-CE3 3.42Å; L88-W299 VanDerWaalsContact CD2-CE3 3.42Å; L88-W299 HydrophobicContact CD2-CH2 4.46Å; L88-W299 HydrophobicContact CD2-CZ3 3.42Å; L88-W299 VanDerWaalsContact CD2-CZ3 3.42Å; L88-W299 HydrophobicContact CG-CD2 4.1Å; L88-W299 HydrophobicContact CG-CE3 3.48Å; L88-W299 VanDerWaalsContact CG-CE3 3.48Å; L88-W299 HydrophobicContact CG-CH2 4.13Å; L88-W299 HydrophobicContact CG-CZ3 3.47Å; L88-W299 VanDerWaalsContact CG-CZ3 3.47Å; L88-T322 WeakPolarHBondContact O-CB 3.43Å; L88-A325 HydrophobicContact CD1-CB 3.81Å; L88-A325 HydrophobicContact CD2-CB 4.28Å; L88-K329 HydrophobicContact CD1-CG 4.03Å |
| 89 | Q | 96.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 9.3 Ų | 9.3 | 3% | 0.028 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -71.1 | -37.8 | 175.7 | -52.9 | -35.6 | -55.6 | 0 | 0 | 111.5 | S85 I86 L87 L91 G92 W93 T322 L823 T826 | S85-Q89 WeakPolarHBondContact O-CG 3.33Å; S85-Q89 PolarHBondContact O-NE2 3.31Å; I86-Q89 WeakPolarHBondContact O-CA 3.26Å; I86-Q89 WeakPolarHBondContact O-CB 3.39Å; I86-Q89 PolarHBondContact O-N 2.65Å; L87-Q89 PolarHBondContact O-N 3.19Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.49Å; Q89-G92 PolarHBondContact O-N 3.34Å; Q89-W93 WeakPolarHBondContact O-CB 3.45Å; Q89-W93 PolarHBondContact O-N 3.47Å; Q89-T322 PolarHBondContact NE2-O 2.97Å; Q89-L823 HydrophobicContact CB-CD1 3.52Å; Q89-L823 HydrophobicContact CG-CD1 3.82Å; Q89-T826 HydrophobicContact CG-CG2 4.27Å |
| 90 | L | 96 | Very high | 94.7 | Very high | 47 Ų | 47 | 9.6 Ų | 9.6 | 25% | 0.246 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 172.5 | -175.7 | 68 | 0 | 0 | 0 | 111.4 | I86 L87 V94 F95 I296 | I86-L90 PolarHBondContact O-N 2.8Å; I86-L90 VanDerWaalsContact O-N 3.09Å; L87-L90 HydrophobicContact CD2-CB 4.45Å; L87-L90 HydrophobicContact CD2-CD2 3.87Å; L87-L90 WeakPolarHBondContact O-CB 3.32Å; L87-L90 PolarHBondContact O-N 3.13Å; L90-V94 HydrophobicContact CD1-CB 3.93Å; L90-V94 HydrophobicContact CD1-CG1 4.45Å; L90-V94 HydrophobicContact CD1-CG2 3.73Å; L90-V94 WeakPolarHBondContact O-CB 3.2Å; L90-V94 PolarHBondContact O-N 3.5Å; L90-F95 HydrophobicContact CD1-CE2 4.31Å; L90-F95 HydrophobicContact CD2-CE2 3.93Å; L90-F95 HydrophobicContact CG-CD2 4.03Å; L90-F95 HydrophobicContact CG-CE2 3.81Å; L90-F95 PolarHBondContact O-N 2.97Å; L90-I296 HydrophobicContact CD2-CD1 4.06Å; L90-I296 HydrophobicContact CD2-CG1 3.87Å; L90-I296 HydrophobicContact CD2-CG2 4.46Å |
| 91 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -55.3 | -56.5 | 173.5 | 168.4 | 64.3 | 0 | 0 | 0 | 110.7 | L87 L88 Q89 W93 F95 L96 W299 V306 V309 T322 | L87-L91 PolarHBondContact O-N 3.45Å; L88-L91 WeakPolarHBondContact O-CB 3.2Å; L88-L91 PolarHBondContact O-N 3.39Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.49Å; L91-W93 PolarHBondContact O-N 3.4Å; L91-F95 HydrophobicContact CD1-CB 4.28Å; L91-F95 PolarHBondContact O-N 3.33Å; L91-L96 WeakPolarHBondContact O-CB 3.09Å; L91-L96 PolarHBondContact O-N 3Å; L91-W299 WeakPolarHBondContact CD2-O 3.12Å; L91-V306 HydrophobicContact CD1-CG2 3.94Å; L91-V309 HydrophobicContact CD2-CG2 3.79Å; L91-T322 HydrophobicContact CD2-CG2 4.21Å; L91-T322 HydrophobicContact CG-CG2 4.4Å |
| 92 | G | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -65.3 | -35.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L88 Q89 Q319 | L88-G92 PolarHBondContact O-N 2.96Å; L88-G92 VanDerWaalsContact O-N 3.12Å; Q89-G92 PolarHBondContact O-N 3.34Å; G92-Q319 PolarHBondContact O-NE2 3.27Å |
| 93 | W | 94.9 | Very high | 93.3 | Very high | 32 Ų | 32 | 10.7 Ų | 10.7 | 12% | 0.121 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -100.3 | -28.7 | -167.2 | -89.4 | -156.4 | 0 | 0 | 0 | 113.7 | Q89 L91 Q319 L323 L819 L823 | Q89-W93 WeakPolarHBondContact O-CB 3.45Å; Q89-W93 PolarHBondContact O-N 3.47Å; L91-W93 PolarHBondContact O-N 3.4Å; W93-Q319 HydrophobicContact CE3-CB 3.98Å; W93-Q319 VanDerWaalsContact CE3-CD 3.41Å; W93-Q319 HydrophobicContact CE3-CG 3.42Å; W93-Q319 VanDerWaalsContact CE3-CG 3.42Å; W93-Q319 HydrophobicContact CH2-CB 3.35Å; W93-Q319 VanDerWaalsContact CH2-CD 3.47Å; W93-Q319 HydrophobicContact CH2-CG 3.64Å; W93-Q319 HydrophobicContact CZ3-CB 2.99Å; W93-Q319 HydrophobicContact CZ3-CG 2.96Å; W93-L323 HydrophobicContact CH2-CD1 3.87Å; W93-L323 HydrophobicContact CH2-CG 4.29Å; W93-L323 HydrophobicContact CZ2-CD1 4.39Å; W93-L819 HydrophobicContact CH2-CB 3.79Å; W93-L819 HydrophobicContact CH2-CD1 4.32Å; W93-L819 HydrophobicContact CH2-CD2 4.2Å; W93-L819 HydrophobicContact CH2-CG 4.32Å; W93-L819 HydrophobicContact CZ2-CB 3.79Å; W93-L823 HydrophobicContact CD2-CD1 4.43Å; W93-L823 HydrophobicContact CG-CD1 4.2Å; W93-L823 HydrophobicContact CZ2-CB 4.4Å |
| 94 | V | 95.5 | Very high | 92.8 | Very high | 30 Ų | 30 | 10.3 Ų | 10.3 | 18% | 0.182 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -110.4 | -52 | -175.8 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | L90 I483 L484 Y569 | L90-V94 HydrophobicContact CD1-CB 3.93Å; L90-V94 HydrophobicContact CD1-CG1 4.45Å; L90-V94 HydrophobicContact CD1-CG2 3.73Å; L90-V94 WeakPolarHBondContact O-CB 3.2Å; L90-V94 PolarHBondContact O-N 3.5Å; V94-I483 HydrophobicContact CG1-CG2 4.21Å; V94-L484 HydrophobicContact CG1-CD2 4.04Å; V94-Y569 HydrophobicContact CG1-CD2 4.24Å; V94-Y569 WeakPolarHBondContact O-CD2 3.24Å |
| 95 | F | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -80 | -47.4 | -173 | -76.7 | -110.3 | 0 | 0 | 0 | 112.3 | L90 L91 V98 Y99 I296 C300 T301 L480 I483 | L90-F95 HydrophobicContact CD1-CE2 4.31Å; L90-F95 HydrophobicContact CD2-CE2 3.93Å; L90-F95 HydrophobicContact CG-CD2 4.03Å; L90-F95 HydrophobicContact CG-CE2 3.81Å; L90-F95 PolarHBondContact O-N 2.97Å; L91-F95 HydrophobicContact CD1-CB 4.28Å; L91-F95 PolarHBondContact O-N 3.33Å; F95-V98 WeakPolarHBondContact O-CB 3.32Å; F95-V98 PolarHBondContact O-N 3.34Å; F95-V98 VanDerWaalsContact O-N 3.1Å; F95-Y99 HydrophobicContact CB-CD2 4.26Å; F95-Y99 HydrophobicContact CB-CE2 3.78Å; F95-Y99 HydrophobicContact CD1-CE2 4.03Å; F95-Y99 AromaticContact CD1-CZ 3.83Å; F95-Y99 WeakPolarHBondContact CD1-OH 3.2Å; F95-Y99 HydrophobicContact CG-CE2 4.43Å; F95-Y99 PolarHBondContact O-N 3.17Å; F95-Y99 VanDerWaalsContact O-N 3.08Å; F95-I296 HydrophobicContact CZ-CG2 3.91Å; F95-C300 HydrophobicContact CD1-CB 3.53Å; F95-C300 HydrophobicContact CD2-CB 3.89Å; F95-C300 HydrophobicContact CE1-CB 3.54Å; F95-C300 HydrophobicContact CE2-CB 3.91Å; F95-C300 HydrophobicContact CG-CB 3.73Å; F95-C300 HydrophobicContact CZ-CB 3.73Å; F95-T301 HydrophobicContact CE1-CG2 4.21Å; F95-L480 HydrophobicContact CE2-CD2 3.88Å; F95-L480 HydrophobicContact CZ-CD2 3.54Å; F95-L480 HydrophobicContact CZ-CG 4.09Å; F95-I483 HydrophobicContact CB-CD1 4.28Å; F95-I483 HydrophobicContact CD1-CD1 3.06Å; F95-I483 HydrophobicContact CD2-CD1 4.48Å; F95-I483 HydrophobicContact CE1-CD1 3.33Å; F95-I483 HydrophobicContact CG-CD1 3.71Å; F95-I483 HydrophobicContact CZ-CD1 4.16Å |
| 96 | L | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | -173.4 | -179.3 | 74.5 | 0 | 0 | 0 | 114.4 | L91 V98 Y99 I100 V309 L310 L315 A318 | L91-L96 WeakPolarHBondContact O-CB 3.09Å; L91-L96 PolarHBondContact O-N 3Å; L96-V98 PolarHBondContact O-N 2.87Å; L96-Y99 PolarHBondContact O-N 3.12Å; L96-I100 HydrophobicContact CD1-CD1 3.78Å; L96-I100 HydrophobicContact CD1-CG1 3.85Å; L96-I100 HydrophobicContact CD2-CD1 4.05Å; L96-I100 HydrophobicContact CG-CD1 3.68Å; L96-I100 HydrophobicContact CG-CG1 4.07Å; L96-I100 WeakPolarHBondContact O-CB 3.4Å; L96-I100 WeakPolarHBondContact O-CG1 3.12Å; L96-I100 PolarHBondContact O-N 3.35Å; L96-V309 HydrophobicContact CD1-CB 4.15Å; L96-V309 HydrophobicContact CD1-CG1 3.53Å; L96-V309 HydrophobicContact CD2-CG1 3.62Å; L96-V309 HydrophobicContact CG-CG1 4.14Å; L96-L310 HydrophobicContact CD1-CD2 4.05Å; L96-L315 HydrophobicContact CD2-CD1 3.78Å; L96-L315 HydrophobicContact CG-CD1 4.15Å; L96-A318 HydrophobicContact CD2-CB 3.32Å; L96-A318 HydrophobicContact CG-CB 4.47Å |
| 97 | P | 92.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.013 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.2 | -36.8 | 175.5 | -26.2 | 35.2 | 0 | 0 | 0 | 112.3 | A101 L315 W573 L809 | P97-A101 WeakPolarHBondContact O-CB 3.49Å; P97-A101 PolarHBondContact O-N 2.87Å; P97-L315 HydrophobicContact CG-CD1 4.16Å; P97-W573 HydrophobicContact CB-CH2 3.92Å; P97-W573 HydrophobicContact CB-CZ2 4.07Å; P97-W573 HydrophobicContact CG-CH2 4.45Å; P97-L809 HydrophobicContact CB-CD2 4.41Å |
| 98 | V | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -71.2 | -46.9 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | F95 L96 I100 A101 S102 Y110 I483 L567 A572 | F95-V98 WeakPolarHBondContact O-CB 3.32Å; F95-V98 PolarHBondContact O-N 3.34Å; F95-V98 VanDerWaalsContact O-N 3.1Å; L96-V98 PolarHBondContact O-N 2.87Å; V98-I100 PolarHBondContact O-N 3.39Å; V98-A101 PolarHBondContact O-N 3.47Å; V98-A101 VanDerWaalsContact O-N 3.17Å; V98-S102 WeakPolarHBondContact O-CB 3.22Å; V98-S102 PolarHBondContact O-N 2.99Å; V98-S102 PolarHBondContact O-OG 3.09Å; V98-Y110 HydrophobicContact CG1-CE2 3.63Å; V98-I483 HydrophobicContact CG2-CG2 4.14Å; V98-L567 WeakPolarHBondContact CG1-O 3.36Å; V98-A572 HydrophobicContact CG2-CB 4.27Å |
| 99 | Y | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | -179.1 | -61.4 | -28.8 | 0 | 0 | 0 | 113.4 | F95 L96 S102 L107 Y110 C300 V306 Y479 I483 | F95-Y99 HydrophobicContact CB-CD2 4.26Å; F95-Y99 HydrophobicContact CB-CE2 3.78Å; F95-Y99 HydrophobicContact CD1-CE2 4.03Å; F95-Y99 AromaticContact CD1-CZ 3.83Å; F95-Y99 WeakPolarHBondContact CD1-OH 3.2Å; F95-Y99 HydrophobicContact CG-CE2 4.43Å; F95-Y99 PolarHBondContact O-N 3.17Å; F95-Y99 VanDerWaalsContact O-N 3.08Å; L96-Y99 PolarHBondContact O-N 3.12Å; Y99-S102 PolarHBondContact O-OG 3.14Å; Y99-S102 VanDerWaalsContact O-OG 3.12Å; Y99-L107 HydrophobicContact CD1-CD2 4.11Å; Y99-L107 HydrophobicContact CD2-CD2 4.02Å; Y99-L107 HydrophobicContact CE1-CD2 3.66Å; Y99-L107 HydrophobicContact CE2-CD2 3.54Å; Y99-L107 HydrophobicContact CG-CD2 4.28Å; Y99-Y110 HydrophobicContact CD1-CD1 4.33Å; Y99-Y110 HydrophobicContact CD1-CD2 4.18Å; Y99-Y110 HydrophobicContact CD1-CE2 4.48Å; Y99-Y110 HydrophobicContact CD1-CG 4.1Å; Y99-Y110 AromaticContact CE1-CD1 3.75Å; Y99-Y110 HydrophobicContact CE1-CD1 3.75Å; Y99-Y110 HydrophobicContact CE1-CD2 4.38Å; Y99-Y110 AromaticContact CE1-CE1 3.92Å; Y99-Y110 HydrophobicContact CE1-CE1 3.92Å; Y99-Y110 AromaticContact CE1-CG 3.99Å; Y99-Y110 HydrophobicContact CE1-CG 3.99Å; Y99-C300 WeakPolarHBondContact CE2-O 3.18Å; Y99-C300 PolarHBondContact OH-O 2.87Å; Y99-V306 HydrophobicContact CD2-CG1 3.72Å; Y99-V306 HydrophobicContact CE2-CG1 4.04Å; Y99-V306 HydrophobicContact CE2-CG2 4.17Å; Y99-Y479 WeakPolarHBondContact OH-CD1 3.34Å; Y99-I483 HydrophobicContact CE1-CD1 4.07Å |
| 100 | I | 87.7 | Confident | 91.4 | Very high | 7 Ų | 7 | 11.8 Ų | 11.8 | 4% | 0.036 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 171.9 | -66.5 | 179.1 | 0 | 0 | 0 | 109.6 | L96 V98 S102 G103 L310 L315 I806 L809 | L96-I100 HydrophobicContact CD1-CD1 3.78Å; L96-I100 HydrophobicContact CD1-CG1 3.85Å; L96-I100 HydrophobicContact CD2-CD1 4.05Å; L96-I100 HydrophobicContact CG-CD1 3.68Å; L96-I100 HydrophobicContact CG-CG1 4.07Å; L96-I100 WeakPolarHBondContact O-CB 3.4Å; L96-I100 WeakPolarHBondContact O-CG1 3.12Å; L96-I100 PolarHBondContact O-N 3.35Å; V98-I100 PolarHBondContact O-N 3.39Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 2.82Å; I100-G103 PolarHBondContact O-N 3.33Å; I100-G103 VanDerWaalsContact O-N 3.17Å; I100-L310 HydrophobicContact CG1-CD2 3.92Å; I100-L315 HydrophobicContact CD1-CB 4.48Å; I100-L315 HydrophobicContact CD1-CD1 4Å; I100-I806 VanDerWaalsContact CG2-O 3.27Å; I100-I806 WeakPolarHBondContact CG2-O 3.35Å; I100-L809 HydrophobicContact CB-CD2 4.24Å; I100-L809 HydrophobicContact CG2-CD2 4.03Å |
| 101 | A | 87.3 | Confident | 91.4 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.008 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P97 V98 G103 R566 A572 L809 | P97-A101 WeakPolarHBondContact O-CB 3.49Å; P97-A101 PolarHBondContact O-N 2.87Å; V98-A101 PolarHBondContact O-N 3.47Å; V98-A101 VanDerWaalsContact O-N 3.17Å; A101-G103 PolarHBondContact O-N 3.18Å; A101-R566 HydrophobicContact CB-CB 4.09Å; A101-R566 PolarHBondContact O-NE 3.16Å; A101-R566 PolarHBondContact O-NH2 2.83Å; A101-A572 HydrophobicContact CB-CB 4.12Å; A101-A572 WeakPolarHBondContact CB-O 2.92Å; A101-L809 HydrophobicContact CB-CD1 4.17Å |
| 102 | S | 86.9 | Confident | 91.2 | Very high | 13 Ų | 13 | 13.3 Ų | 13.3 | 9% | 0.091 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -8.7 | -179.6 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | V98 Y99 I100 V104 K113 | V98-S102 WeakPolarHBondContact O-CB 3.22Å; V98-S102 PolarHBondContact O-N 2.99Å; V98-S102 PolarHBondContact O-OG 3.09Å; Y99-S102 PolarHBondContact O-OG 3.14Å; Y99-S102 VanDerWaalsContact O-OG 3.12Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 2.82Å; S102-V104 PolarHBondContact O-N 2.78Å; S102-V104 WeakPolarHBondContact OG-CG1 3.18Å; S102-V104 WeakPolarHBondContact OG-CG2 3.48Å; S102-K113 PolarHBondContact O-NZ 3.04Å; S102-K113 VanDerWaalsContact O-NZ 3.09Å |
| 103 | G | 80.8 | Confident | 91 | Very high | 22 Ų | 22 | 17.3 Ų | 17.3 | 23% | 0.227 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 30.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I100 A101 | I100-G103 PolarHBondContact O-N 3.33Å; I100-G103 VanDerWaalsContact O-N 3.17Å; A101-G103 PolarHBondContact O-N 3.18Å |
| 104 | V | 84.7 | Confident | 90.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -87.6 | 160 | -176.8 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | R42 S102 E109 K113 | R42-V104 PolarHBondContact NH2-O 3.17Å; R42-V104 VanDerWaalsContact NH2-O 3.14Å; S102-V104 PolarHBondContact O-N 2.78Å; S102-V104 WeakPolarHBondContact OG-CG1 3.18Å; S102-V104 WeakPolarHBondContact OG-CG2 3.48Å; V104-E109 HydrophobicContact CG1-CG 4.31Å; V104-K113 HydrophobicContact CG1-CD 3.76Å | ||
| 105 | F | 79.9 | Confident | 90.7 | Very high | 53 Ų | 53 | 15.1 Ų | 15.1 | 23% | 0.232 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -103.6 | -32.4 | 171.8 | -57.5 | -57.4 | 0 | 0 | 0 | 112.3 | T35 L39 E109 Q303 | T35-F105 HydrophobicContact CG2-CE1 4.29Å; L39-F105 HydrophobicContact CD1-CB 4.27Å; L39-F105 HydrophobicContact CD1-CD1 3.1Å; L39-F105 HydrophobicContact CD1-CE1 3.56Å; L39-F105 HydrophobicContact CD1-CG 3.94Å; L39-F105 HydrophobicContact CD2-CD1 3.77Å; L39-F105 HydrophobicContact CD2-CE1 4.37Å; L39-F105 HydrophobicContact CG-CD1 4.03Å; F105-E109 PolarHBondContact N-OE2 3.07Å; F105-Q303 PolarHBondContact O-NE2 3.48Å; F105-Q303 VanDerWaalsContact O-NE2 3.14Å |
| 106 | T | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -124.8 | 152.2 | 179.5 | 74.5 | 0 | 0 | 0 | 0 | 111.3 | E109 Y110 T411 V415 D416 | T106-E109 WeakPolarHBondContact O-CB 3.32Å; T106-E109 PolarHBondContact O-N 3.39Å; T106-E109 WeakPolarHBondContact OG1-CB 3.38Å; T106-E109 PolarHBondContact OG1-N 3.23Å; T106-Y110 PolarHBondContact O-N 2.95Å; T106-Y110 VanDerWaalsContact O-N 3.14Å; T106-T411 HydrophobicContact CG2-CG2 3.93Å; T106-V415 HydrophobicContact CG2-CB 4.04Å; T106-V415 HydrophobicContact CG2-CG1 3.98Å; T106-D416 WeakPolarHBondContact CB-OD2 3.27Å; T106-D416 WeakPolarHBondContact CG2-OD2 3.17Å; T106-D416 VanDerWaalsContact OG1-CG 3.3Å; T106-D416 PolarHBondContact OG1-OD1 3.17Å; T106-D416 PolarHBondContact OG1-OD2 3.11Å |
| 107 | L | 93.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.5 | -38 | 177 | -67.3 | 174.9 | 0 | 0 | 0 | 113.4 | Y99 E109 Y110 M111 T301 Q303 V306 Y479 | Y99-L107 HydrophobicContact CD1-CD2 4.11Å; Y99-L107 HydrophobicContact CD2-CD2 4.02Å; Y99-L107 HydrophobicContact CE1-CD2 3.66Å; Y99-L107 HydrophobicContact CE2-CD2 3.54Å; Y99-L107 HydrophobicContact CG-CD2 4.28Å; L107-E109 VanDerWaalsContact C-N 3.29Å; L107-E109 PolarHBondContact O-N 3.27Å; L107-Y110 WeakPolarHBondContact O-CB 3.13Å; L107-Y110 PolarHBondContact O-N 3.21Å; L107-Y110 VanDerWaalsContact O-N 3.14Å; L107-M111 WeakPolarHBondContact O-CG 3.35Å; L107-M111 PolarHBondContact O-N 3Å; L107-T301 WeakPolarHBondContact CD1-O 3.25Å; L107-Q303 VanDerWaalsContact N-OE1 3.07Å; L107-V306 HydrophobicContact CD1-CB 4.09Å; L107-V306 HydrophobicContact CD1-CG2 3.89Å; L107-V306 HydrophobicContact CD2-CB 4.42Å; L107-V306 HydrophobicContact CD2-CG1 3.98Å; L107-V306 HydrophobicContact CD2-CG2 4.41Å; L107-V306 HydrophobicContact CG-CB 4.41Å; L107-V306 HydrophobicContact CG-CG1 4.37Å; L107-Y479 HydrophobicContact CB-CE1 4.17Å; L107-Y479 VanDerWaalsContact CB-OH 3.32Å; L107-Y479 WeakPolarHBondContact CB-OH 3.37Å; L107-Y479 HydrophobicContact CD2-CE1 4.44Å; L107-Y479 PolarHBondContact O-OH 3.01Å |
| 108 | P | 94 | Very high | 89.4 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.5 | -34.9 | 170.7 | -27.2 | 38.8 | 0 | 0 | 0 | 113.6 | Y110 M111 K112 H121 L124 A125 L412 | P108-Y110 VanDerWaalsContact C-N 3.35Å; P108-M111 PolarHBondContact O-N 3.47Å; P108-K112 PolarHBondContact O-N 3.38Å; P108-H121 WeakPolarHBondContact CB-CD2 3.32Å; P108-L124 HydrophobicContact CB-CB 4.3Å; P108-L124 HydrophobicContact CG-CB 4.07Å; P108-A125 HydrophobicContact CB-CB 4.47Å; P108-A125 HydrophobicContact CG-CB 4.29Å; P108-L412 HydrophobicContact CG-CD1 3.63Å |
| 109 | E | 92 | Very high | 89.4 | Confident | 34 Ų | 34 | 29 Ų | 29 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 172.1 | -171.6 | -155.3 | 153.9 | 0 | 0 | 111.4 | V104 F105 T106 L107 M111 K112 K113 | V104-E109 HydrophobicContact CG1-CG 4.31Å; F105-E109 PolarHBondContact N-OE2 3.07Å; T106-E109 WeakPolarHBondContact O-CB 3.32Å; T106-E109 PolarHBondContact O-N 3.39Å; T106-E109 WeakPolarHBondContact OG1-CB 3.38Å; T106-E109 PolarHBondContact OG1-N 3.23Å; L107-E109 VanDerWaalsContact C-N 3.29Å; L107-E109 PolarHBondContact O-N 3.27Å; E109-M111 VanDerWaalsContact C-N 3.3Å; E109-M111 PolarHBondContact O-N 3.05Å; E109-K112 WeakPolarHBondContact O-CB 3.08Å; E109-K112 PolarHBondContact O-N 2.99Å; E109-K113 PolarHBondContact O-N 3.37Å; E109-K113 WeakPolarHBondContact OE1-CE 3.47Å; E109-K113 IonicContact OE1-NZ 3.92Å; E109-K113 PolarHBondContact OE1-NZ 3.47Å |
| 110 | Y | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.2 | -44.3 | 171.3 | 165.7 | -101.7 | 0 | 0 | 0 | 112 | V98 Y99 T106 L107 P108 K112 K113 R114 Y479 A482 I483 L567 | V98-Y110 HydrophobicContact CG1-CE2 3.63Å; Y99-Y110 HydrophobicContact CD1-CD1 4.33Å; Y99-Y110 HydrophobicContact CD1-CD2 4.18Å; Y99-Y110 HydrophobicContact CD1-CE2 4.48Å; Y99-Y110 HydrophobicContact CD1-CG 4.1Å; Y99-Y110 AromaticContact CE1-CD1 3.75Å; Y99-Y110 HydrophobicContact CE1-CD1 3.75Å; Y99-Y110 HydrophobicContact CE1-CD2 4.38Å; Y99-Y110 AromaticContact CE1-CE1 3.92Å; Y99-Y110 HydrophobicContact CE1-CE1 3.92Å; Y99-Y110 AromaticContact CE1-CG 3.99Å; Y99-Y110 HydrophobicContact CE1-CG 3.99Å; T106-Y110 PolarHBondContact O-N 2.95Å; T106-Y110 VanDerWaalsContact O-N 3.14Å; L107-Y110 WeakPolarHBondContact O-CB 3.13Å; L107-Y110 PolarHBondContact O-N 3.21Å; L107-Y110 VanDerWaalsContact O-N 3.14Å; P108-Y110 VanDerWaalsContact C-N 3.35Å; Y110-K112 VanDerWaalsContact C-N 3.31Å; Y110-K112 PolarHBondContact O-N 3.06Å; Y110-K113 PolarHBondContact O-N 3.16Å; Y110-K113 VanDerWaalsContact O-N 3.14Å; Y110-R114 HydrophobicContact CE1-CB 4.49Å; Y110-R114 HydrophobicContact CE2-CB 4.35Å; Y110-R114 WeakPolarHBondContact O-CB 3.43Å; Y110-R114 PolarHBondContact O-N 3.02Å; Y110-Y479 HydrophobicContact CD1-CD1 4.35Å; Y110-Y479 HydrophobicContact CD1-CE1 4.03Å; Y110-Y479 HydrophobicContact CE1-CD1 4.33Å; Y110-Y479 HydrophobicContact CE1-CE1 4.47Å; Y110-A482 HydrophobicContact CE1-CB 4.2Å; Y110-I483 HydrophobicContact CE1-CG1 4.24Å; Y110-I483 WeakPolarHBondContact OH-CG1 3.08Å; Y110-L567 HydrophobicContact CD2-CD2 4.37Å; Y110-L567 HydrophobicContact CE2-CD2 4.27Å; Y110-L567 WeakPolarHBondContact CE2-O 3.28Å; Y110-L567 PolarHBondContact OH-O 2.97Å |
| 111 | M | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 179.7 | -64.9 | -66.4 | -80.1 | 0 | 0 | 112 | L107 P108 E109 R114 Y115 I120 L124 V478 Y479 A482 | L107-M111 WeakPolarHBondContact O-CG 3.35Å; L107-M111 PolarHBondContact O-N 3Å; P108-M111 PolarHBondContact O-N 3.47Å; E109-M111 VanDerWaalsContact C-N 3.3Å; E109-M111 PolarHBondContact O-N 3.05Å; M111-R114 PolarHBondContact O-N 2.86Å; M111-Y115 HydrophobicContact CE-CD2 3.9Å; M111-Y115 HydrophobicContact CE-CE2 3.53Å; M111-Y115 PolarHBondContact O-N 2.99Å; M111-Y115 HydrophobicContact SD-CD2 4.33Å; M111-Y115 HydrophobicContact SD-CE2 4.09Å; M111-I120 HydrophobicContact CB-CG2 3.91Å; M111-I120 HydrophobicContact CE-CG2 4.17Å; M111-L124 HydrophobicContact CB-CD1 3.95Å; M111-L124 HydrophobicContact CE-CD1 4Å; M111-L124 HydrophobicContact CG-CD1 3.56Å; M111-V478 HydrophobicContact CE-CG1 3.75Å; M111-Y479 HydrophobicContact CE-CD2 4.46Å; M111-Y479 HydrophobicContact CE-CE2 4.42Å; M111-Y479 HydrophobicContact CG-CD1 4.4Å; M111-Y479 HydrophobicContact CG-CE1 3.61Å; M111-Y479 HydrophobicContact CG-CE2 4.28Å; M111-Y479 WeakPolarHBondContact CG-OH 3.45Å; M111-Y479 HydrophobicContact SD-CD1 3.77Å; M111-Y479 HydrophobicContact SD-CE1 3.59Å; M111-Y479 VanDerWaalsContact SD-CE1 3.59Å; M111-Y479 HydrophobicContact SD-CE2 4.38Å; M111-Y479 HydrophobicContact SD-CG 4.25Å; M111-A482 HydrophobicContact SD-CB 4.04Å |
| 112 | K | 92.9 | Very high | 89.8 | Confident | 78 Ų | 78 | 31.3 Ų | 31.3 | 34% | 0.339 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 170 | 173.4 | 172.7 | 164.7 | 177.7 | 0 | 112.1 | P108 E109 Y110 R114 G116 E118 H121 | P108-K112 PolarHBondContact O-N 3.38Å; E109-K112 WeakPolarHBondContact O-CB 3.08Å; E109-K112 PolarHBondContact O-N 2.99Å; Y110-K112 VanDerWaalsContact C-N 3.31Å; Y110-K112 PolarHBondContact O-N 3.06Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-G116 WeakPolarHBondContact O-CA 3.12Å; K112-G116 PolarHBondContact O-N 3.17Å; K112-E118 WeakPolarHBondContact CE-OE1 3.47Å; K112-E118 IonicContact NZ-OE1 3Å; K112-E118 PolarHBondContact NZ-OE1 2.97Å; K112-E118 IonicContact NZ-OE2 3.16Å; K112-H121 HydrophobicContact CB-CB 4.13Å; K112-H121 WeakPolarHBondContact CD-ND1 3.47Å |
| 113 | K | 90.4 | Very high | 90.1 | Very high | 85 Ų | 85 | 32 Ų | 32 | 37% | 0.37 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 177 | -68.8 | -173.7 | -172.6 | 169.7 | 0 | 111.8 | S102 V104 E109 Y110 L567 | S102-K113 PolarHBondContact O-NZ 3.04Å; S102-K113 VanDerWaalsContact O-NZ 3.09Å; V104-K113 HydrophobicContact CG1-CD 3.76Å; E109-K113 PolarHBondContact O-N 3.37Å; E109-K113 WeakPolarHBondContact OE1-CE 3.47Å; E109-K113 IonicContact OE1-NZ 3.92Å; E109-K113 PolarHBondContact OE1-NZ 3.47Å; Y110-K113 PolarHBondContact O-N 3.16Å; Y110-K113 VanDerWaalsContact O-N 3.14Å; K113-L567 HydrophobicContact CB-CD1 4.48Å; K113-L567 HydrophobicContact CB-CD2 3.64Å; K113-L567 WeakPolarHBondContact O-CD1 2.99Å |
| 114 | R | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.2 | -43.9 | -175.9 | 174 | 57.4 | -173.3 | 80.1 | 1.6 | 113.9 | Y110 M111 K112 A482 N485 T488 | Y110-R114 HydrophobicContact CE1-CB 4.49Å; Y110-R114 HydrophobicContact CE2-CB 4.35Å; Y110-R114 WeakPolarHBondContact O-CB 3.43Å; Y110-R114 PolarHBondContact O-N 3.02Å; M111-R114 PolarHBondContact O-N 2.86Å; K112-R114 VanDerWaalsContact C-N 3.34Å; R114-A482 HydrophobicContact CG-CB 4.05Å; R114-A482 PolarHBondContact NE-O 3.48Å; R114-N485 PolarHBondContact NH2-O 2.87Å; R114-T488 PolarHBondContact NH1-O 3.46Å; R114-T488 PolarHBondContact NH2-O 3.05Å; R114-T488 PolarHBondContact NH2-OG1 3.04Å |
| 115 | Y | 91.2 | Very high | 91.2 | Very high | 15 Ų | 15 | 31 Ų | 31 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -102.9 | -21.2 | -175.9 | -71.4 | -61.7 | 0 | 0 | 0 | 113 | M111 I120 V478 A482 T488 T489 E490 A493 | M111-Y115 HydrophobicContact CE-CD2 3.9Å; M111-Y115 HydrophobicContact CE-CE2 3.53Å; M111-Y115 PolarHBondContact O-N 2.99Å; M111-Y115 HydrophobicContact SD-CD2 4.33Å; M111-Y115 HydrophobicContact SD-CE2 4.09Å; Y115-I120 HydrophobicContact CD2-CD1 4.1Å; Y115-I120 HydrophobicContact CG-CD1 4.22Å; Y115-V478 HydrophobicContact CE2-CG1 4.17Å; Y115-V478 PolarHBondContact OH-O 3.34Å; Y115-A482 HydrophobicContact CE2-CB 3.73Å; Y115-A482 VanDerWaalsContact OH-CA 3.27Å; Y115-A482 WeakPolarHBondContact OH-CA 3.3Å; Y115-A482 WeakPolarHBondContact OH-CB 3.16Å; Y115-A482 PolarHBondContact OH-N 2.96Å; Y115-T488 WeakPolarHBondContact CE1-O 3.45Å; Y115-T488 WeakPolarHBondContact CE1-OG1 3.48Å; Y115-T488 PolarHBondContact OH-OG1 3.39Å; Y115-T489 VanDerWaalsContact CD1-C 3.49Å; Y115-T489 WeakPolarHBondContact CD1-O 3.39Å; Y115-E490 WeakPolarHBondContact O-CB 3.14Å; Y115-A493 HydrophobicContact CD1-CB 4.25Å; Y115-A493 HydrophobicContact CD2-CB 4.09Å; Y115-A493 HydrophobicContact CE1-CB 4Å; Y115-A493 HydrophobicContact CE2-CB 3.82Å; Y115-A493 HydrophobicContact CG-CB 4.29Å |
| 116 | G | 85.7 | Confident | 91.9 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 32% | 0.32 | 17% | 0.165 | S | C | . | . | trans | 77 | 177 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K112 E490 | K112-G116 WeakPolarHBondContact O-CA 3.12Å; K112-G116 PolarHBondContact O-N 3.17Å; G116-E490 WeakPolarHBondContact O-CG 3.44Å | ||
| 117 | G | 82.7 | Confident | 92 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 45% | 0.454 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 72.9 | 169 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 118 | E | 87 | Confident | 92 | Very high | 73 Ų | 73 | 33.9 Ų | 33.9 | 34% | 0.341 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -107.1 | -8.9 | -174 | -73.4 | -61.1 | 159.1 | 0 | 0 | 113.3 | K112 H121 M122 K420 | K112-E118 WeakPolarHBondContact CE-OE1 3.47Å; K112-E118 IonicContact NZ-OE1 3Å; K112-E118 PolarHBondContact NZ-OE1 2.97Å; K112-E118 IonicContact NZ-OE2 3.16Å; E118-H121 IonicContact OE2-ND1 2.73Å; E118-M122 WeakPolarHBondContact O-CG 3.26Å; E118-M122 PolarHBondContact O-N 2.81Å; E118-K420 WeakPolarHBondContact OE2-CE 3.3Å; E118-K420 IonicContact OE2-NZ 3.14Å; E118-K420 PolarHBondContact OE2-NZ 3.29Å |
| 119 | R | 92.6 | Very high | 91.9 | Very high | 144 Ų | 144 | 34.3 Ų | 34.3 | 54% | 0.543 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -73.4 | -54.3 | -171.3 | -63.3 | 177.1 | -179.8 | 177 | -1.1 | 111.5 | H121 M122 Y123 F494 | R119-H121 VanDerWaalsContact C-N 3.29Å; R119-H121 PolarHBondContact O-N 3.2Å; R119-M122 PolarHBondContact O-N 2.78Å; R119-Y123 VanDerWaalsContact O-CB 3.31Å; R119-Y123 WeakPolarHBondContact O-CB 3.49Å; R119-Y123 PolarHBondContact O-N 3.03Å; R119-F494 HydrophobicContact CB-CD2 3.84Å; R119-F494 HydrophobicContact CB-CE2 3.82Å |
| 120 | I | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 179.4 | -62.6 | 176.5 | 0 | 0 | 0 | 110.7 | M111 Y115 Y123 L124 E490 A493 F494 L497 | M111-I120 HydrophobicContact CB-CG2 3.91Å; M111-I120 HydrophobicContact CE-CG2 4.17Å; Y115-I120 HydrophobicContact CD2-CD1 4.1Å; Y115-I120 HydrophobicContact CG-CD1 4.22Å; I120-Y123 PolarHBondContact O-N 3.44Å; I120-L124 HydrophobicContact CG2-CD1 3.67Å; I120-L124 HydrophobicContact CG2-CG 4.18Å; I120-L124 WeakPolarHBondContact O-CG 3.39Å; I120-L124 PolarHBondContact O-N 3.31Å; I120-E490 HydrophobicContact CD1-CG 3.98Å; I120-A493 HydrophobicContact CD1-CB 3.66Å; I120-F494 HydrophobicContact CD1-CB 4.33Å; I120-F494 HydrophobicContact CG1-CB 4.04Å; I120-F494 HydrophobicContact CG1-CD2 4.22Å; I120-L497 HydrophobicContact CG2-CD1 4.04Å |
| 121 | H | 92.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.2 | -57.4 | 177.1 | -168.9 | 170 | 0 | 0 | 0 | 111.4 | P108 K112 E118 R119 Y123 L124 A125 D416 | P108-H121 WeakPolarHBondContact CB-CD2 3.32Å; K112-H121 HydrophobicContact CB-CB 4.13Å; K112-H121 WeakPolarHBondContact CD-ND1 3.47Å; E118-H121 IonicContact OE2-ND1 2.73Å; R119-H121 VanDerWaalsContact C-N 3.29Å; R119-H121 PolarHBondContact O-N 3.2Å; H121-Y123 PolarHBondContact O-N 3.37Å; H121-L124 PolarHBondContact O-N 3.42Å; H121-A125 WeakPolarHBondContact O-CB 3.29Å; H121-A125 PolarHBondContact O-N 3.39Å; H121-A125 VanDerWaalsContact O-N 3.13Å; H121-D416 IonicContact CD2-OD1 3.85Å; H121-D416 IonicContact CE1-OD1 3.85Å; H121-D416 WeakPolarHBondContact NE2-CB 3.16Å; H121-D416 IonicContact NE2-OD1 2.75Å; H121-D416 PolarHBondContact NE2-OD1 3.49Å |
| 122 | M | 92.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 180 | -71.2 | -56.5 | -52.8 | 0 | 0 | 112.6 | E118 R119 L124 A125 L126 V417 K420 | E118-M122 WeakPolarHBondContact O-CG 3.26Å; E118-M122 PolarHBondContact O-N 2.81Å; R119-M122 PolarHBondContact O-N 2.78Å; M122-L124 PolarHBondContact O-N 3.23Å; M122-A125 PolarHBondContact O-N 3Å; M122-L126 HydrophobicContact CE-CD1 4.38Å; M122-L126 HydrophobicContact CE-CG 4.4Å; M122-L126 WeakPolarHBondContact O-CB 3.44Å; M122-L126 VanDerWaalsContact O-CG 3.32Å; M122-L126 WeakPolarHBondContact O-CG 3.49Å; M122-L126 PolarHBondContact O-N 2.91Å; M122-V417 HydrophobicContact CE-CB 4.41Å; M122-V417 HydrophobicContact CE-CG1 4.19Å; M122-V417 HydrophobicContact CE-CG2 4Å; M122-K420 HydrophobicContact CG-CD 4.39Å; M122-K420 HydrophobicContact SD-CD 3.68Å; M122-K420 PolarHBondContact SD-NZ 3.3Å |
| 123 | Y | 93.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 34.1 Ų | 34.1 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 180 | 166.7 | -89.9 | 0 | 0 | 0 | 111.5 | R119 I120 H121 L126 L127 L497 M498 L501 | R119-Y123 VanDerWaalsContact O-CB 3.31Å; R119-Y123 WeakPolarHBondContact O-CB 3.49Å; R119-Y123 PolarHBondContact O-N 3.03Å; I120-Y123 PolarHBondContact O-N 3.44Å; H121-Y123 PolarHBondContact O-N 3.37Å; Y123-L126 PolarHBondContact O-N 3.39Å; Y123-L127 HydrophobicContact CE1-CD2 3.93Å; Y123-L127 VanDerWaalsContact O-CB 3.27Å; Y123-L127 WeakPolarHBondContact O-CB 3.33Å; Y123-L127 PolarHBondContact O-N 2.99Å; Y123-L497 HydrophobicContact CD1-CB 4.28Å; Y123-L497 HydrophobicContact CD1-CD1 3.88Å; Y123-L497 HydrophobicContact CE1-CB 3.67Å; Y123-L497 HydrophobicContact CE1-CD1 3.82Å; Y123-L497 HydrophobicContact CE1-CD2 3.99Å; Y123-L497 HydrophobicContact CE1-CG 4.02Å; Y123-L497 PolarHBondContact OH-O 3.07Å; Y123-L497 VanDerWaalsContact OH-O 3.07Å; Y123-M498 HydrophobicContact CD2-CE 3.14Å; Y123-M498 HydrophobicContact CE2-CE 3.1Å; Y123-M498 HydrophobicContact CG-CE 4.01Å; Y123-L501 HydrophobicContact CE2-CB 4.24Å; Y123-L501 HydrophobicContact CE2-CD2 3.71Å; Y123-L501 HydrophobicContact CE2-CG 4.45Å; Y123-L501 WeakPolarHBondContact OH-CB 3.45Å |
| 124 | L | 94.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | -177.8 | -69.4 | 174.5 | 0 | 0 | 0 | 112.1 | P108 M111 I120 H121 M122 S128 V475 Y479 L497 | P108-L124 HydrophobicContact CB-CB 4.3Å; P108-L124 HydrophobicContact CG-CB 4.07Å; M111-L124 HydrophobicContact CB-CD1 3.95Å; M111-L124 HydrophobicContact CE-CD1 4Å; M111-L124 HydrophobicContact CG-CD1 3.56Å; I120-L124 HydrophobicContact CG2-CD1 3.67Å; I120-L124 HydrophobicContact CG2-CG 4.18Å; I120-L124 WeakPolarHBondContact O-CG 3.39Å; I120-L124 PolarHBondContact O-N 3.31Å; H121-L124 PolarHBondContact O-N 3.42Å; M122-L124 PolarHBondContact O-N 3.23Å; L124-S128 WeakPolarHBondContact O-CB 3.12Å; L124-S128 PolarHBondContact O-N 3.48Å; L124-S128 PolarHBondContact O-OG 3.13Å; L124-V475 HydrophobicContact CD2-CG1 4Å; L124-V475 HydrophobicContact CD2-CG2 4.34Å; L124-Y479 HydrophobicContact CD1-CE2 3.96Å; L124-Y479 HydrophobicContact CD2-CE2 4.46Å; L124-L497 HydrophobicContact CD2-CD1 4.13Å; L124-L497 HydrophobicContact CD2-CD2 4.33Å; L124-L497 HydrophobicContact CG-CD1 4.4Å |
| 125 | A | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -49.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P108 H121 M122 S128 L129 L412 D416 V417 | P108-A125 HydrophobicContact CB-CB 4.47Å; P108-A125 HydrophobicContact CG-CB 4.29Å; H121-A125 WeakPolarHBondContact O-CB 3.29Å; H121-A125 PolarHBondContact O-N 3.39Å; H121-A125 VanDerWaalsContact O-N 3.13Å; M122-A125 PolarHBondContact O-N 3Å; A125-S128 PolarHBondContact O-N 3.06Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.13Å; A125-L129 PolarHBondContact O-N 3.32Å; A125-L129 VanDerWaalsContact O-N 3.12Å; A125-L412 HydrophobicContact CB-CD1 3.84Å; A125-L412 HydrophobicContact CB-CG 4.22Å; A125-L412 WeakPolarHBondContact O-CD2 3.25Å; A125-D416 HydrophobicContact CB-CB 3.75Å; A125-V417 HydrophobicContact CB-CG2 4.24Å |
| 126 | L | 93.6 | Very high | 91.3 | Very high | 84 Ų | 84 | 33.3 Ų | 33.3 | 44% | 0.44 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 179.1 | -67.7 | 175.6 | 0 | 0 | 0 | 112.3 | M122 Y123 S128 L129 I130 V417 | M122-L126 HydrophobicContact CE-CD1 4.38Å; M122-L126 HydrophobicContact CE-CG 4.4Å; M122-L126 WeakPolarHBondContact O-CB 3.44Å; M122-L126 VanDerWaalsContact O-CG 3.32Å; M122-L126 WeakPolarHBondContact O-CG 3.49Å; M122-L126 PolarHBondContact O-N 2.91Å; Y123-L126 PolarHBondContact O-N 3.39Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 2.99Å; L126-L129 PolarHBondContact O-N 3.19Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.47Å; L126-I130 PolarHBondContact O-N 3.4Å; L126-V417 HydrophobicContact CD2-CG2 4.45Å |
| 127 | L | 93.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.068 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 177.7 | 179.3 | 63.1 | 0 | 0 | 0 | 111.3 | Y123 I130 L131 V475 L501 | Y123-L127 HydrophobicContact CE1-CD2 3.93Å; Y123-L127 VanDerWaalsContact O-CB 3.27Å; Y123-L127 WeakPolarHBondContact O-CB 3.33Å; Y123-L127 PolarHBondContact O-N 2.99Å; L127-I130 PolarHBondContact O-N 3.18Å; L127-L131 HydrophobicContact CD1-CD1 4.39Å; L127-L131 HydrophobicContact CD1-CG 4.37Å; L127-L131 HydrophobicContact CG-CD1 4.12Å; L127-L131 HydrophobicContact CG-CG 4.5Å; L127-L131 WeakPolarHBondContact O-CG 2.88Å; L127-L131 PolarHBondContact O-N 2.87Å; L127-V475 HydrophobicContact CD2-CG2 3.74Å; L127-L501 HydrophobicContact CD1-CD1 3.95Å |
| 128 | S | 93.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -39.1 | -178.8 | -53 | 0 | 0 | 0 | 0 | 111.8 | L124 A125 L126 I130 L131 Y132 | L124-S128 WeakPolarHBondContact O-CB 3.12Å; L124-S128 PolarHBondContact O-N 3.48Å; L124-S128 PolarHBondContact O-OG 3.13Å; A125-S128 PolarHBondContact O-N 3.06Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 2.99Å; S128-I130 VanDerWaalsContact C-N 3.35Å; S128-I130 PolarHBondContact O-N 3.12Å; S128-L131 PolarHBondContact O-N 3.46Å; S128-Y132 PolarHBondContact O-N 3.39Å |
| 129 | L | 93.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -41 | 173.7 | -71.1 | 173.6 | 0 | 0 | 0 | 112.3 | A125 L126 Y132 I133 A409 L412 F413 F437 L441 | A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.13Å; A125-L129 PolarHBondContact O-N 3.32Å; A125-L129 VanDerWaalsContact O-N 3.12Å; L126-L129 PolarHBondContact O-N 3.19Å; L129-Y132 PolarHBondContact O-N 2.83Å; L129-I133 PolarHBondContact O-N 3.22Å; L129-A409 HydrophobicContact CD2-CB 3.99Å; L129-L412 HydrophobicContact CD2-CB 4.3Å; L129-L412 HydrophobicContact CD2-CD2 3.77Å; L129-L412 HydrophobicContact CD2-CG 4.25Å; L129-L412 HydrophobicContact CG-CD2 3.66Å; L129-L412 HydrophobicContact CG-CG 4.15Å; L129-F413 HydrophobicContact CD1-CB 4.2Å; L129-F413 HydrophobicContact CD1-CD2 4.15Å; L129-F437 HydrophobicContact CD1-CE1 4.46Å; L129-F437 HydrophobicContact CD1-CZ 3.84Å; L129-F437 HydrophobicContact CD2-CE1 3.69Å; L129-F437 HydrophobicContact CD2-CZ 3.72Å; L129-F437 HydrophobicContact CG-CZ 4.27Å; L129-L441 HydrophobicContact CD2-CD1 4.36Å |
| 130 | I | 92.3 | Very high | 92.4 | Very high | 81 Ų | 81 | 19.6 Ų | 19.6 | 42% | 0.415 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -65.6 | -44 | 175.8 | -69.3 | 167.4 | 0 | 0 | 0 | 110.7 | L126 L127 S128 Y132 I133 F134 | L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.47Å; L126-I130 PolarHBondContact O-N 3.4Å; L127-I130 PolarHBondContact O-N 3.18Å; S128-I130 VanDerWaalsContact C-N 3.35Å; S128-I130 PolarHBondContact O-N 3.12Å; I130-Y132 VanDerWaalsContact C-N 3.3Å; I130-Y132 PolarHBondContact O-N 3.22Å; I130-I133 WeakPolarHBondContact O-CB 3.49Å; I130-I133 PolarHBondContact O-N 2.97Å; I130-I133 VanDerWaalsContact O-N 3.16Å; I130-F134 HydrophobicContact CG2-CD2 3.7Å; I130-F134 HydrophobicContact CG2-CE2 3.37Å; I130-F134 HydrophobicContact CG2-CZ 4.38Å; I130-F134 WeakPolarHBondContact O-CD2 3.35Å; I130-F134 PolarHBondContact O-N 2.93Å |
| 131 | L | 91.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 176.9 | -73.5 | 175 | 0 | 0 | 0 | 111.9 | L127 S128 I133 F134 T135 W297 L471 | L127-L131 HydrophobicContact CD1-CD1 4.39Å; L127-L131 HydrophobicContact CD1-CG 4.37Å; L127-L131 HydrophobicContact CG-CD1 4.12Å; L127-L131 HydrophobicContact CG-CG 4.5Å; L127-L131 WeakPolarHBondContact O-CG 2.88Å; L127-L131 PolarHBondContact O-N 2.87Å; S128-L131 PolarHBondContact O-N 3.46Å; L131-I133 VanDerWaalsContact C-N 3.27Å; L131-I133 PolarHBondContact O-N 3.24Å; L131-F134 PolarHBondContact O-N 3.46Å; L131-T135 HydrophobicContact CD2-CG2 4.26Å; L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 3.28Å; L131-W297 HydrophobicContact CD1-CH2 4.42Å; L131-W297 HydrophobicContact CD1-CZ2 3.7Å; L131-L471 HydrophobicContact CD2-CB 4.06Å; L131-L471 HydrophobicContact CD2-CD1 3.57Å; L131-L471 HydrophobicContact CD2-CG 4.46Å |
| 132 | Y | 93.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -61.9 | -32.8 | 175.8 | -72.9 | -9.2 | 0 | 0 | 0 | 113.6 | S128 L129 I130 K136 I137 D302 M304 I405 A409 | S128-Y132 PolarHBondContact O-N 3.39Å; L129-Y132 PolarHBondContact O-N 2.83Å; I130-Y132 VanDerWaalsContact C-N 3.3Å; I130-Y132 PolarHBondContact O-N 3.22Å; Y132-K136 HydrophobicContact CD1-CG 4.05Å; Y132-K136 PolarHBondContact O-N 3.26Å; Y132-I137 PolarHBondContact O-N 3.17Å; Y132-D302 WeakPolarHBondContact CE1-OD1 3.4Å; Y132-D302 PolarHBondContact OH-OD1 3.42Å; Y132-M304 PolarHBondContact OH-N 2.98Å; Y132-I405 HydrophobicContact CD1-CG2 4.49Å; Y132-I405 HydrophobicContact CD2-CG2 3.93Å; Y132-I405 HydrophobicContact CE2-CG2 4.45Å; Y132-I405 HydrophobicContact CG-CG2 3.94Å; Y132-A409 HydrophobicContact CD2-CB 3.85Å; Y132-A409 HydrophobicContact CE2-CB 4.23Å |
| 133 | I | 91.7 | Very high | 92.4 | Very high | 22 Ų | 22 | 17.3 Ų | 17.3 | 11% | 0.113 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -65.4 | -59.6 | 173.7 | -62.9 | 167.6 | 0 | 0 | 0 | 108.9 | L129 I130 L131 S138 L441 L444 | L129-I133 PolarHBondContact O-N 3.22Å; I130-I133 WeakPolarHBondContact O-CB 3.49Å; I130-I133 PolarHBondContact O-N 2.97Å; I130-I133 VanDerWaalsContact O-N 3.16Å; L131-I133 VanDerWaalsContact C-N 3.27Å; L131-I133 PolarHBondContact O-N 3.24Å; I133-S138 WeakPolarHBondContact O-CB 3.36Å; I133-S138 PolarHBondContact O-N 3.2Å; I133-S138 PolarHBondContact O-OG 3.36Å; I133-L441 HydrophobicContact CD1-CG 4.44Å; I133-L441 HydrophobicContact CG1-CD2 3.93Å; I133-L441 HydrophobicContact CG1-CG 3.88Å; I133-L444 HydrophobicContact CD1-CB 4.17Å; I133-L444 HydrophobicContact CD1-CD1 3.95Å; I133-L444 HydrophobicContact CG2-CB 4.25Å |
| 134 | F | 85.7 | Confident | 92.3 | Very high | 61 Ų | 61 | 16 Ų | 16 | 27% | 0.268 | 8% | 0.081 | S | C | . | . | I | π-helix | trans | -77.1 | -32.6 | -168.2 | -58.5 | -44.5 | 0 | 0 | 0 | 115.1 | I130 L131 W448 | I130-F134 HydrophobicContact CG2-CD2 3.7Å; I130-F134 HydrophobicContact CG2-CE2 3.37Å; I130-F134 HydrophobicContact CG2-CZ 4.38Å; I130-F134 WeakPolarHBondContact O-CD2 3.35Å; I130-F134 PolarHBondContact O-N 2.93Å; L131-F134 PolarHBondContact O-N 3.46Å; F134-W448 AromaticContact CD1-CD1 3.98Å; F134-W448 AromaticContact CD1-CD2 3.48Å; F134-W448 HydrophobicContact CD1-CD2 3.48Å; F134-W448 VanDerWaalsContact CD1-CD2 3.48Å; F134-W448 AromaticContact CD1-CE2 3.54Å; F134-W448 AromaticContact CD1-CE3 3.88Å; F134-W448 HydrophobicContact CD1-CE3 3.88Å; F134-W448 AromaticContact CD1-CG 3.78Å; F134-W448 HydrophobicContact CD1-CG 3.78Å; F134-W448 HydrophobicContact CD1-CH2 4.35Å; F134-W448 AromaticContact CD1-CZ2 4Å; F134-W448 HydrophobicContact CD1-CZ2 4Å; F134-W448 HydrophobicContact CD1-CZ3 4.3Å; F134-W448 AromaticContact CD1-NE1 3.85Å; F134-W448 AromaticContact CE1-CD2 3.72Å; F134-W448 HydrophobicContact CE1-CD2 3.72Å; F134-W448 AromaticContact CE1-CE3 3.6Å; F134-W448 HydrophobicContact CE1-CE3 3.6Å; F134-W448 HydrophobicContact CE1-CG 4.29Å; F134-W448 HydrophobicContact CE1-CH2 4.2Å; F134-W448 HydrophobicContact CE1-CZ2 4.31Å; F134-W448 AromaticContact CE1-CZ3 3.85Å; F134-W448 HydrophobicContact CE1-CZ3 3.85Å |
| 135 | T | 87.3 | Confident | 92.1 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -109.5 | -16.2 | -168.9 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | L131 V467 | L131-T135 HydrophobicContact CD2-CG2 4.26Å; L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 3.14Å; L131-T135 PolarHBondContact O-OG1 3.28Å; T135-V467 HydrophobicContact CG2-CB 4.42Å; T135-V467 HydrophobicContact CG2-CG1 3.66Å |
| 136 | K | 91.6 | Very high | 91.8 | Very high | 20 Ų | 20 | 17.2 Ų | 17.2 | 9% | 0.087 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -118.7 | -69.5 | -173.7 | -61.1 | -65.4 | -174.3 | -179.9 | 0 | 111.9 | Y132 V139 N140 I405 | Y132-K136 HydrophobicContact CD1-CG 4.05Å; Y132-K136 PolarHBondContact O-N 3.26Å; K136-V139 PolarHBondContact O-N 2.97Å; K136-N140 WeakPolarHBondContact O-CB 3.05Å; K136-N140 PolarHBondContact O-N 2.9Å; K136-N140 PolarHBondContact O-ND2 3.17Å; K136-N140 PolarHBondContact O-OD1 3.36Å; K136-I405 HydrophobicContact CB-CD1 3.71Å; K136-I405 HydrophobicContact CB-CG1 4.25Å |
| 137 | I | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -69.3 | -47.2 | -170 | -69.6 | 162.1 | 0 | 0 | 0 | 111.9 | Y132 V139 N140 L141 L402 I405 F406 L441 S445 | Y132-I137 PolarHBondContact O-N 3.17Å; I137-V139 PolarHBondContact O-N 2.99Å; I137-N140 PolarHBondContact O-N 3.45Å; I137-L141 HydrophobicContact CG2-CD1 3.75Å; I137-L141 HydrophobicContact CG2-CG 4.17Å; I137-L141 WeakPolarHBondContact O-CB 3.38Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.49Å; I137-L141 PolarHBondContact O-N 2.85Å; I137-L402 HydrophobicContact CG1-CD2 4.3Å; I137-L402 HydrophobicContact CG2-CD2 4.25Å; I137-I405 HydrophobicContact CD1-CB 4.35Å; I137-I405 HydrophobicContact CD1-CG2 3.49Å; I137-I405 VanDerWaalsContact CD1-CG2 3.49Å; I137-I405 HydrophobicContact CG1-CB 4.23Å; I137-I405 HydrophobicContact CG1-CD1 4.03Å; I137-I405 HydrophobicContact CG1-CG2 3.68Å; I137-F406 HydrophobicContact CD1-CD1 4Å; I137-F406 HydrophobicContact CD1-CE1 3.68Å; I137-F406 HydrophobicContact CG1-CE1 4.11Å; I137-F406 HydrophobicContact CG2-CE1 4.46Å; I137-L441 HydrophobicContact CD1-CD2 3.02Å; I137-L441 HydrophobicContact CD1-CG 4.46Å; I137-L441 HydrophobicContact CG1-CD2 4.36Å; I137-S445 VanDerWaalsContact CG2-CB 3.41Å; I137-S445 WeakPolarHBondContact CG2-OG 3.42Å |
| 138 | S | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.3 | -40.8 | 178 | -60 | 0 | 0 | 0 | 0 | 111.9 | I133 Y142 S445 I452 | I133-S138 WeakPolarHBondContact O-CB 3.36Å; I133-S138 PolarHBondContact O-N 3.2Å; I133-S138 PolarHBondContact O-OG 3.36Å; S138-Y142 WeakPolarHBondContact O-CB 3.42Å; S138-Y142 PolarHBondContact O-N 3.12Å; S138-S445 WeakPolarHBondContact CB-O 3.27Å; S138-S445 VanDerWaalsContact OG-C 3.27Å; S138-S445 WeakPolarHBondContact OG-CA 3.28Å; S138-S445 WeakPolarHBondContact OG-CB 3.37Å; S138-S445 PolarHBondContact OG-O 3.34Å; S138-I452 VanDerWaalsContact CB-CD1 3.48Å |
| 139 | V | 92.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.3 | -44.3 | 179.5 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | E61 K136 I137 Y142 S143 I452 I464 | E61-V139 HydrophobicContact CB-CG1 3.89Å; K136-V139 PolarHBondContact O-N 2.97Å; I137-V139 PolarHBondContact O-N 2.99Å; V139-Y142 PolarHBondContact O-N 3.47Å; V139-S143 WeakPolarHBondContact O-CB 3.42Å; V139-S143 PolarHBondContact O-N 3Å; V139-S143 PolarHBondContact O-OG 3.24Å; V139-I452 HydrophobicContact CG2-CD1 3.87Å; V139-I464 HydrophobicContact CB-CD1 4.47Å; V139-I464 HydrophobicContact CB-CG1 4.46Å; V139-I464 HydrophobicContact CG1-CD1 3.26Å; V139-I464 HydrophobicContact CG1-CG1 3.68Å; V139-I464 HydrophobicContact CG2-CD1 4.47Å; V139-I464 HydrophobicContact CG2-CG1 3.94Å |
| 140 | N | 93.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.8 | -43 | 179.9 | -67.5 | -2 | 0 | 0 | 0 | 111.3 | S60 E61 K136 I137 Y142 S143 G144 L398 D401 L402 I405 | S60-N140 PolarHBondContact OG-O 2.99Å; E61-N140 PolarHBondContact OE2-OD1 3.37Å; K136-N140 WeakPolarHBondContact O-CB 3.05Å; K136-N140 PolarHBondContact O-N 2.9Å; K136-N140 PolarHBondContact O-ND2 3.17Å; K136-N140 PolarHBondContact O-OD1 3.36Å; I137-N140 PolarHBondContact O-N 3.45Å; N140-Y142 VanDerWaalsContact C-N 3.34Å; N140-Y142 PolarHBondContact O-N 3.33Å; N140-S143 WeakPolarHBondContact CA-OG 3.41Å; N140-S143 PolarHBondContact O-OG 2.85Å; N140-G144 PolarHBondContact O-N 2.86Å; N140-L398 VanDerWaalsContact O-CD2 3.23Å; N140-L398 WeakPolarHBondContact O-CD2 3.27Å; N140-D401 PolarHBondContact ND2-OD2 3.43Å; N140-L402 HydrophobicContact CB-CD2 4.08Å; N140-I405 VanDerWaalsContact ND2-CD1 3.34Å; N140-I405 WeakPolarHBondContact ND2-CD1 3.48Å |
| 141 | L | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.5 | -67.8 | 177.3 | 0 | 0 | 0 | 111.3 | I137 S145 I160 L164 L402 I446 I449 | I137-L141 HydrophobicContact CG2-CD1 3.75Å; I137-L141 HydrophobicContact CG2-CG 4.17Å; I137-L141 WeakPolarHBondContact O-CB 3.38Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.49Å; I137-L141 PolarHBondContact O-N 2.85Å; L141-S145 VanDerWaalsContact O-CB 3.24Å; L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.17Å; L141-S145 PolarHBondContact O-OG 3.17Å; L141-I160 HydrophobicContact CD1-CG2 4.48Å; L141-I160 HydrophobicContact CD2-CG2 4.46Å; L141-L164 HydrophobicContact CD1-CD1 4.41Å; L141-L164 HydrophobicContact CD1-CD2 4.17Å; L141-L164 HydrophobicContact CD2-CD1 4.48Å; L141-L164 HydrophobicContact CD2-CD2 3.65Å; L141-L164 HydrophobicContact CD2-CG 3.87Å; L141-L402 HydrophobicContact CD2-CD1 3.94Å; L141-L402 HydrophobicContact CD2-CD2 4.37Å; L141-L402 HydrophobicContact CG-CD2 4.5Å; L141-I446 HydrophobicContact CD1-CG1 4.11Å; L141-I449 HydrophobicContact CB-CD1 4Å |
| 142 | Y | 92.6 | Very high | 89.7 | Confident | 10 Ų | 10 | 11.8 Ų | 11.8 | 4% | 0.039 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.8 | -53.3 | 178.7 | 177.8 | -107 | 0 | 0 | 0 | 112.3 | S138 V139 N140 G144 S145 L146 I449 I452 Q453 Q456 L460 | S138-Y142 WeakPolarHBondContact O-CB 3.42Å; S138-Y142 PolarHBondContact O-N 3.12Å; V139-Y142 PolarHBondContact O-N 3.47Å; N140-Y142 VanDerWaalsContact C-N 3.34Å; N140-Y142 PolarHBondContact O-N 3.33Å; Y142-G144 VanDerWaalsContact C-N 3.33Å; Y142-G144 PolarHBondContact O-N 3.33Å; Y142-S145 PolarHBondContact O-N 3.35Å; Y142-S145 VanDerWaalsContact O-N 3.12Å; Y142-S145 PolarHBondContact O-OG 3.09Å; Y142-L146 PolarHBondContact O-N 3.48Å; Y142-I449 HydrophobicContact CD2-CG2 3.87Å; Y142-I449 HydrophobicContact CG-CG2 4.49Å; Y142-I452 HydrophobicContact CD1-CG2 3.71Å; Y142-I452 HydrophobicContact CE1-CG2 4.2Å; Y142-I452 HydrophobicContact CG-CG2 4.1Å; Y142-Q453 HydrophobicContact CD2-CG 3.95Å; Y142-Q453 HydrophobicContact CE2-CG 3.4Å; Y142-Q456 PolarHBondContact OH-NE2 3.42Å; Y142-L460 HydrophobicContact CD1-CD1 4.43Å; Y142-L460 HydrophobicContact CD1-CD2 4.05Å; Y142-L460 HydrophobicContact CE1-CD2 4.27Å |
| 143 | S | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 178.1 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | S60 V139 N140 L146 F147 | S60-S143 WeakPolarHBondContact CB-OG 3.46Å; S60-S143 PolarHBondContact OG-OG 3.05Å; V139-S143 WeakPolarHBondContact O-CB 3.42Å; V139-S143 PolarHBondContact O-N 3Å; V139-S143 PolarHBondContact O-OG 3.24Å; N140-S143 WeakPolarHBondContact CA-OG 3.41Å; N140-S143 PolarHBondContact O-OG 2.85Å; S143-L146 WeakPolarHBondContact O-CB 3.47Å; S143-L146 PolarHBondContact O-N 3.23Å; S143-F147 PolarHBondContact O-N 2.9Å |
| 144 | G | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N140 Y142 L146 F147 L148 | N140-G144 PolarHBondContact O-N 2.86Å; Y142-G144 VanDerWaalsContact C-N 3.33Å; Y142-G144 PolarHBondContact O-N 3.33Å; G144-L146 VanDerWaalsContact C-N 3.35Å; G144-F147 PolarHBondContact O-N 3.17Å; G144-L148 PolarHBondContact O-N 3.29Å; G144-L148 VanDerWaalsContact O-N 3.09Å |
| 145 | S | 90.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 175.5 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | L141 Y142 F147 L148 T149 T156 | L141-S145 VanDerWaalsContact O-CB 3.24Å; L141-S145 WeakPolarHBondContact O-CB 3.45Å; L141-S145 PolarHBondContact O-N 3.17Å; L141-S145 PolarHBondContact O-OG 3.17Å; Y142-S145 PolarHBondContact O-N 3.35Å; Y142-S145 VanDerWaalsContact O-N 3.12Å; Y142-S145 PolarHBondContact O-OG 3.09Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.5Å; S145-L148 PolarHBondContact O-N 2.95Å; S145-T149 VanDerWaalsContact O-CB 3.3Å; S145-T149 WeakPolarHBondContact O-CB 3.41Å; S145-T149 PolarHBondContact O-N 2.76Å; S145-T149 PolarHBondContact O-OG1 3.36Å; S145-T156 VanDerWaalsContact OG-CG2 3.28Å; S145-T156 WeakPolarHBondContact OG-CG2 3.28Å |
| 146 | L | 88.7 | Confident | 88.6 | Confident | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.141 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 177.5 | -170.1 | 68.2 | 0 | 0 | 0 | 110.9 | I64 Y142 S143 G144 E150 N371 L372 | I64-L146 HydrophobicContact CG2-CD2 3.71Å; Y142-L146 PolarHBondContact O-N 3.48Å; S143-L146 WeakPolarHBondContact O-CB 3.47Å; S143-L146 PolarHBondContact O-N 3.23Å; G144-L146 VanDerWaalsContact C-N 3.35Å; L146-E150 PolarHBondContact O-N 3.02Å; L146-N371 HydrophobicContact CD2-CB 3.75Å; L146-L372 HydrophobicContact CD1-CD2 3.82Å; L146-L372 HydrophobicContact CD2-CD2 3.94Å; L146-L372 HydrophobicContact CG-CD2 3.82Å |
| 147 | F | 87.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 175.9 | 176.7 | -106.2 | 0 | 0 | 0 | 112.7 | I64 S143 G144 S145 T149 E150 A151 P375 V378 L391 M394 | I64-F147 HydrophobicContact CD1-CB 3.97Å; I64-F147 HydrophobicContact CD1-CD2 4.48Å; S143-F147 PolarHBondContact O-N 2.9Å; G144-F147 PolarHBondContact O-N 3.17Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.5Å; F147-T149 PolarHBondContact O-N 2.93Å; F147-E150 PolarHBondContact O-N 2.92Å; F147-A151 HydrophobicContact CZ-CB 4.35Å; F147-A151 WeakPolarHBondContact O-CB 3.44Å; F147-A151 PolarHBondContact O-N 3.14Å; F147-P375 HydrophobicContact CD2-CB 4.09Å; F147-P375 HydrophobicContact CD2-CG 4.06Å; F147-V378 HydrophobicContact CE2-CG1 4.43Å; F147-V378 HydrophobicContact CE2-CG2 4.46Å; F147-L391 HydrophobicContact CE1-CD2 3.48Å; F147-L391 VanDerWaalsContact CE1-CD2 3.48Å; F147-L391 HydrophobicContact CE2-CD2 4.47Å; F147-L391 HydrophobicContact CZ-CD2 3.36Å; F147-L391 HydrophobicContact CZ-CG 4.22Å; F147-M394 HydrophobicContact CD1-CB 3.58Å; F147-M394 HydrophobicContact CD1-CG 3.74Å; F147-M394 HydrophobicContact CD2-CG 3.8Å; F147-M394 HydrophobicContact CE1-CB 3.37Å; F147-M394 HydrophobicContact CE1-CG 3.42Å; F147-M394 VanDerWaalsContact CE1-CG 3.42Å; F147-M394 HydrophobicContact CE2-CB 4.4Å; F147-M394 HydrophobicContact CE2-CG 3.52Å; F147-M394 HydrophobicContact CG-CB 4.16Å; F147-M394 HydrophobicContact CG-CG 3.91Å; F147-M394 HydrophobicContact CZ-CB 3.83Å; F147-M394 HydrophobicContact CZ-CG 3.31Å |
| 148 | L | 86.7 | Confident | 88.3 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | -178.9 | -73.1 | -179.5 | 0 | 0 | 0 | 112.3 | G144 S145 E150 A151 L152 S159 L163 L395 | G144-L148 PolarHBondContact O-N 3.29Å; G144-L148 VanDerWaalsContact O-N 3.09Å; S145-L148 PolarHBondContact O-N 2.95Å; L148-E150 VanDerWaalsContact C-N 3.31Å; L148-E150 PolarHBondContact O-N 2.96Å; L148-A151 PolarHBondContact O-N 3.48Å; L148-L152 HydrophobicContact CD2-CD1 3.97Å; L148-L152 WeakPolarHBondContact O-CB 3.36Å; L148-L152 PolarHBondContact O-N 2.89Å; L148-S159 WeakPolarHBondContact CB-OG 3.35Å; L148-L163 HydrophobicContact CD1-CD1 3.78Å; L148-L163 HydrophobicContact CD1-CD2 3.79Å; L148-L163 HydrophobicContact CD1-CG 3.6Å; L148-L395 HydrophobicContact CD2-CD2 4.32Å |
| 149 | T | 86.9 | Confident | 88.1 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 172.9 | -65.6 | 0 | 0 | 0 | 0 | 110.5 | S145 F147 K153 W154 T156 | S145-T149 VanDerWaalsContact O-CB 3.3Å; S145-T149 WeakPolarHBondContact O-CB 3.41Å; S145-T149 PolarHBondContact O-N 2.76Å; S145-T149 PolarHBondContact O-OG1 3.36Å; F147-T149 PolarHBondContact O-N 2.93Å; T149-K153 WeakPolarHBondContact O-CA 3.45Å; T149-K153 PolarHBondContact O-N 3.08Å; T149-W154 WeakPolarHBondContact CG2-O 3.3Å; T149-W154 PolarHBondContact OG1-O 3.32Å; T149-T156 PolarHBondContact OG1-N 2.88Å; T149-T156 PolarHBondContact OG1-OG1 3.44Å |
| 150 | E | 84.7 | Confident | 87.9 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.9 | -45.6 | 176.1 | -80.8 | -50.1 | 134.2 | 0 | 0 | 113.6 | L146 F147 L148 K153 L372 P375 I379 | L146-E150 PolarHBondContact O-N 3.02Å; F147-E150 PolarHBondContact O-N 2.92Å; L148-E150 VanDerWaalsContact C-N 3.31Å; L148-E150 PolarHBondContact O-N 2.96Å; E150-K153 WeakPolarHBondContact O-CE 3.35Å; E150-K153 IonicContact OE1-NZ 3.24Å; E150-K153 IonicContact OE2-NZ 3.84Å; E150-K153 PolarHBondContact OE2-NZ 3.38Å; E150-L372 HydrophobicContact CG-CD2 3.72Å; E150-P375 HydrophobicContact CB-CB 3.96Å; E150-P375 HydrophobicContact CG-CB 4.27Å; E150-I379 HydrophobicContact CB-CD1 3.91Å; E150-I379 WeakPolarHBondContact O-CD1 3.44Å |
| 151 | A | 84 | Confident | 87.7 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.5 | -44.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F147 L148 I379 L391 | F147-A151 HydrophobicContact CZ-CB 4.35Å; F147-A151 WeakPolarHBondContact O-CB 3.44Å; F147-A151 PolarHBondContact O-N 3.14Å; L148-A151 PolarHBondContact O-N 3.48Å; A151-I379 HydrophobicContact CB-CD1 4.37Å; A151-L391 HydrophobicContact CB-CD2 3.39Å |
| 152 | L | 83.6 | Confident | 87.3 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -101.6 | -12.2 | -174.1 | -54.6 | 179.9 | 0 | 0 | 0 | 113 | L3 L148 W154 | L3-L152 HydrophobicContact CD1-CD2 3.46Å; L3-L152 VanDerWaalsContact CD1-CD2 3.46Å; L3-L152 HydrophobicContact CD2-CD2 4.4Å; L3-L152 HydrophobicContact CG-CD2 3.96Å; L148-L152 HydrophobicContact CD2-CD1 3.97Å; L148-L152 WeakPolarHBondContact O-CB 3.36Å; L148-L152 PolarHBondContact O-N 2.89Å; L152-W154 HydrophobicContact CB-CB 4.37Å; L152-W154 HydrophobicContact CB-CD2 3.82Å; L152-W154 HydrophobicContact CB-CE3 4.46Å; L152-W154 HydrophobicContact CB-CG 3.74Å; L152-W154 HydrophobicContact CD1-CD2 3.79Å; L152-W154 HydrophobicContact CD1-CE3 3.66Å; L152-W154 HydrophobicContact CD1-CH2 3.8Å; L152-W154 HydrophobicContact CD1-CZ2 3.93Å; L152-W154 HydrophobicContact CD1-CZ3 3.66Å; L152-W154 HydrophobicContact CG-CD2 4.46Å; L152-W154 VanDerWaalsContact O-CD1 3.29Å; L152-W154 PolarHBondContact O-N 2.85Å |
| 153 | K | 82.8 | Confident | 86.9 | Confident | 124 Ų | 124 | 40.7 Ų | 40.7 | 54% | 0.539 | 20% | 0.202 | S | C | . | . | trans | 56.6 | 33.9 | -171.7 | -57.9 | -59.4 | -177.6 | -172.1 | 0 | 112.6 | T149 E150 | T149-K153 WeakPolarHBondContact O-CA 3.45Å; T149-K153 PolarHBondContact O-N 3.08Å; E150-K153 WeakPolarHBondContact O-CE 3.35Å; E150-K153 IonicContact OE1-NZ 3.24Å; E150-K153 IonicContact OE2-NZ 3.84Å; E150-K153 PolarHBondContact OE2-NZ 3.38Å | ||
| 154 | W | 81.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 42 Ų | 42 | 43% | 0.428 | 21% | 0.209 | S | C | . | . | trans | -87.8 | 164.6 | 174.7 | -70.5 | 0.6 | 0 | 0 | 0 | 111.8 | T149 L152 V158 L162 | T149-W154 WeakPolarHBondContact CG2-O 3.3Å; T149-W154 PolarHBondContact OG1-O 3.32Å; L152-W154 HydrophobicContact CB-CB 4.37Å; L152-W154 HydrophobicContact CB-CD2 3.82Å; L152-W154 HydrophobicContact CB-CE3 4.46Å; L152-W154 HydrophobicContact CB-CG 3.74Å; L152-W154 HydrophobicContact CD1-CD2 3.79Å; L152-W154 HydrophobicContact CD1-CE3 3.66Å; L152-W154 HydrophobicContact CD1-CH2 3.8Å; L152-W154 HydrophobicContact CD1-CZ2 3.93Å; L152-W154 HydrophobicContact CD1-CZ3 3.66Å; L152-W154 HydrophobicContact CG-CD2 4.46Å; L152-W154 VanDerWaalsContact O-CD1 3.29Å; L152-W154 PolarHBondContact O-N 2.85Å; W154-V158 HydrophobicContact CE3-CG1 4.37Å; W154-L162 HydrophobicContact CH2-CD2 4.08Å; W154-L162 HydrophobicContact CZ3-CD2 3.53Å | ||
| 155 | N | 87.4 | Confident | 86.4 | Confident | 97 Ų | 97 | 48.2 Ų | 48.2 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | trans | -69.7 | 134.6 | 171.7 | -174.6 | -44.9 | 0 | 0 | 0 | 110.2 | W157 V158 S159 | N155-W157 PolarHBondContact O-N 3.1Å; N155-W157 VanDerWaalsContact O-N 3.12Å; N155-W157 PolarHBondContact OD1-N 2.96Å; N155-V158 HydrophobicContact CB-CB 4.46Å; N155-V158 HydrophobicContact CB-CG2 4.09Å; N155-V158 WeakPolarHBondContact O-CB 3.37Å; N155-V158 PolarHBondContact O-N 3.33Å; N155-S159 PolarHBondContact O-N 3.28Å; N155-S159 PolarHBondContact O-OG 3.17Å | ||
| 156 | T | 84.9 | Confident | 85.9 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -43.9 | -44.1 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | S145 T149 S159 I160 | S145-T156 VanDerWaalsContact OG-CG2 3.28Å; S145-T156 WeakPolarHBondContact OG-CG2 3.28Å; T149-T156 PolarHBondContact OG1-N 2.88Å; T149-T156 PolarHBondContact OG1-OG1 3.44Å; T156-S159 WeakPolarHBondContact O-CB 3.39Å; T156-S159 PolarHBondContact O-N 3.26Å; T156-I160 HydrophobicContact CG2-CD1 4.29Å; T156-I160 WeakPolarHBondContact O-CG1 3.33Å; T156-I160 PolarHBondContact O-N 3.49Å; T156-I160 VanDerWaalsContact O-N 3.07Å |
| 157 | W | 89.5 | Confident | 85.7 | Confident | 117 Ų | 117 | 48.5 Ų | 48.5 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.9 | -36.8 | -179 | -63 | 106.3 | 0 | 0 | 0 | 113.1 | N155 S159 I160 V161 I446 P450 | N155-W157 PolarHBondContact O-N 3.1Å; N155-W157 VanDerWaalsContact O-N 3.12Å; N155-W157 PolarHBondContact OD1-N 2.96Å; W157-S159 VanDerWaalsContact C-N 3.33Å; W157-I160 HydrophobicContact CE3-CD1 4.08Å; W157-I160 HydrophobicContact CZ3-CD1 4.38Å; W157-I160 PolarHBondContact O-N 3.38Å; W157-V161 WeakPolarHBondContact O-CG2 3.4Å; W157-V161 PolarHBondContact O-N 3.18Å; W157-I446 HydrophobicContact CZ3-CG2 3.71Å; W157-P450 HydrophobicContact CH2-CG 4.42Å |
| 158 | V | 89 | Confident | 85.2 | Confident | 80 Ų | 80 | 49.6 Ų | 49.6 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66 | -41.2 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | W154 N155 I160 V161 L162 | W154-V158 HydrophobicContact CE3-CG1 4.37Å; N155-V158 HydrophobicContact CB-CB 4.46Å; N155-V158 HydrophobicContact CB-CG2 4.09Å; N155-V158 WeakPolarHBondContact O-CB 3.37Å; N155-V158 PolarHBondContact O-N 3.33Å; V158-I160 PolarHBondContact O-N 2.9Å; V158-V161 PolarHBondContact O-N 3.15Å; V158-L162 PolarHBondContact O-N 2.96Å |
| 159 | S | 87.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 173.9 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | L148 N155 T156 W157 L162 L163 | L148-S159 WeakPolarHBondContact CB-OG 3.35Å; N155-S159 PolarHBondContact O-N 3.28Å; N155-S159 PolarHBondContact O-OG 3.17Å; T156-S159 WeakPolarHBondContact O-CB 3.39Å; T156-S159 PolarHBondContact O-N 3.26Å; W157-S159 VanDerWaalsContact C-N 3.33Å; S159-L162 PolarHBondContact O-N 3.26Å; S159-L163 WeakPolarHBondContact O-CB 3.46Å; S159-L163 WeakPolarHBondContact O-CG 3.34Å; S159-L163 PolarHBondContact O-N 2.77Å |
| 160 | I | 88.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 177.9 | -68.2 | 162.8 | 0 | 0 | 0 | 111.4 | L141 T156 W157 V158 L162 L163 L164 I446 I449 | L141-I160 HydrophobicContact CD1-CG2 4.48Å; L141-I160 HydrophobicContact CD2-CG2 4.46Å; T156-I160 HydrophobicContact CG2-CD1 4.29Å; T156-I160 WeakPolarHBondContact O-CG1 3.33Å; T156-I160 PolarHBondContact O-N 3.49Å; T156-I160 VanDerWaalsContact O-N 3.07Å; W157-I160 HydrophobicContact CE3-CD1 4.08Å; W157-I160 HydrophobicContact CZ3-CD1 4.38Å; W157-I160 PolarHBondContact O-N 3.38Å; V158-I160 PolarHBondContact O-N 2.9Å; I160-L162 VanDerWaalsContact C-N 3.35Å; I160-L162 PolarHBondContact O-N 3.28Å; I160-L163 PolarHBondContact O-N 2.85Å; I160-L164 HydrophobicContact CG2-CD1 3.78Å; I160-L164 HydrophobicContact CG2-CG 4.39Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 WeakPolarHBondContact O-CG 3.41Å; I160-L164 PolarHBondContact O-N 2.93Å; I160-I446 HydrophobicContact CG2-CD1 4.45Å; I160-I446 HydrophobicContact CG2-CG1 4.38Å; I160-I449 HydrophobicContact CD1-CD1 3.59Å; I160-I449 HydrophobicContact CG1-CD1 4.46Å |
| 161 | V | 89.1 | Confident | 83.3 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 61% | 0.606 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | -179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | W157 V158 L164 F165 | W157-V161 WeakPolarHBondContact O-CG2 3.4Å; W157-V161 PolarHBondContact O-N 3.18Å; V158-V161 PolarHBondContact O-N 3.15Å; V161-L164 PolarHBondContact O-N 2.87Å; V161-F165 WeakPolarHBondContact O-CB 3.38Å; V161-F165 PolarHBondContact O-N 3.42Å |
| 162 | L | 84.7 | Confident | 82.5 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.5 | -179.8 | 67.1 | 0 | 0 | 0 | 111.6 | W154 V158 S159 I160 L164 F165 L166 | W154-L162 HydrophobicContact CH2-CD2 4.08Å; W154-L162 HydrophobicContact CZ3-CD2 3.53Å; V158-L162 PolarHBondContact O-N 2.96Å; S159-L162 PolarHBondContact O-N 3.26Å; I160-L162 VanDerWaalsContact C-N 3.35Å; I160-L162 PolarHBondContact O-N 3.28Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 2.87Å; L162-F165 PolarHBondContact O-N 3.1Å; L162-L166 HydrophobicContact CD1-CD1 4.18Å; L162-L166 HydrophobicContact CD1-CG 4.25Å; L162-L166 HydrophobicContact CD2-CD1 4.43Å; L162-L166 HydrophobicContact CG-CD1 3.94Å; L162-L166 HydrophobicContact CG-CG 4.42Å; L162-L166 WeakPolarHBondContact O-CG 3.38Å; L162-L166 PolarHBondContact O-N 3.38Å |
| 163 | L | 85.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 178.9 | -74.4 | 172.4 | 0 | 0 | 0 | 111.9 | L148 S159 I160 L166 T167 L395 L398 | L148-L163 HydrophobicContact CD1-CD1 3.78Å; L148-L163 HydrophobicContact CD1-CD2 3.79Å; L148-L163 HydrophobicContact CD1-CG 3.6Å; S159-L163 WeakPolarHBondContact O-CB 3.46Å; S159-L163 WeakPolarHBondContact O-CG 3.34Å; S159-L163 PolarHBondContact O-N 2.77Å; I160-L163 PolarHBondContact O-N 2.85Å; L163-L166 PolarHBondContact O-N 2.79Å; L163-T167 VanDerWaalsContact O-CB 3.32Å; L163-T167 WeakPolarHBondContact O-CB 3.49Å; L163-T167 PolarHBondContact O-N 3.49Å; L163-T167 PolarHBondContact O-OG1 2.93Å; L163-L395 HydrophobicContact CD2-CD2 3.48Å; L163-L395 VanDerWaalsContact CD2-CD2 3.48Å; L163-L398 HydrophobicContact CD1-CD1 4.12Å; L163-L398 HydrophobicContact CD2-CD1 3.73Å |
| 164 | L | 87.6 | Confident | 80.7 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.9 | -72.4 | 171.6 | 0 | 0 | 0 | 112.2 | L141 I160 V161 L162 G168 F406 I442 I446 | L141-L164 HydrophobicContact CD1-CD1 4.41Å; L141-L164 HydrophobicContact CD1-CD2 4.17Å; L141-L164 HydrophobicContact CD2-CD1 4.48Å; L141-L164 HydrophobicContact CD2-CD2 3.65Å; L141-L164 HydrophobicContact CD2-CG 3.87Å; I160-L164 HydrophobicContact CG2-CD1 3.78Å; I160-L164 HydrophobicContact CG2-CG 4.39Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 WeakPolarHBondContact O-CG 3.41Å; I160-L164 PolarHBondContact O-N 2.93Å; V161-L164 PolarHBondContact O-N 2.87Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 2.87Å; L164-G168 PolarHBondContact O-N 3.33Å; L164-F406 HydrophobicContact CD2-CZ 4.39Å; L164-I442 HydrophobicContact CD1-CG2 3.56Å; L164-I442 HydrophobicContact CD2-CD1 4.08Å; L164-I442 HydrophobicContact CD2-CG1 4.15Å; L164-I442 HydrophobicContact CD2-CG2 3.66Å; L164-I442 HydrophobicContact CG-CG2 4.24Å; L164-I446 HydrophobicContact CD1-CD1 3.67Å; L164-I446 HydrophobicContact CD1-CG1 4.36Å |
| 165 | F | 84.3 | Confident | 80.2 | Confident | 132 Ų | 132 | 46.7 Ų | 46.7 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.4 | -49.4 | 175.4 | 176.9 | -101.1 | 0 | 0 | 0 | 111.6 | V161 L162 G168 L169 | V161-F165 WeakPolarHBondContact O-CB 3.38Å; V161-F165 PolarHBondContact O-N 3.42Å; L162-F165 PolarHBondContact O-N 3.1Å; F165-G168 PolarHBondContact O-N 3.48Å; F165-L169 HydrophobicContact CE1-CD1 4.47Å; F165-L169 HydrophobicContact CZ-CD1 4.39Å; F165-L169 WeakPolarHBondContact O-CB 3.46Å; F165-L169 PolarHBondContact O-N 3.15Å |
| 166 | L | 80.3 | Confident | 79.6 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 178.7 | -70.1 | 170.5 | 0 | 0 | 0 | 111.9 | F15 L162 L163 L169 I170 | F15-L166 HydrophobicContact CD1-CD2 4.49Å; F15-L166 HydrophobicContact CE1-CD1 3.96Å; F15-L166 HydrophobicContact CE1-CD2 3.94Å; F15-L166 HydrophobicContact CE1-CG 4.41Å; F15-L166 HydrophobicContact CZ-CD1 3.69Å; F15-L166 HydrophobicContact CZ-CD2 4.29Å; L162-L166 HydrophobicContact CD1-CD1 4.18Å; L162-L166 HydrophobicContact CD1-CG 4.25Å; L162-L166 HydrophobicContact CD2-CD1 4.43Å; L162-L166 HydrophobicContact CG-CD1 3.94Å; L162-L166 HydrophobicContact CG-CG 4.42Å; L162-L166 WeakPolarHBondContact O-CG 3.38Å; L162-L166 PolarHBondContact O-N 3.38Å; L163-L166 PolarHBondContact O-N 2.79Å; L166-L169 PolarHBondContact O-N 2.9Å; L166-I170 PolarHBondContact O-N 2.83Å |
| 167 | T | 84.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | 178.6 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | L163 L169 I170 T171 L402 T403 F406 | L163-T167 VanDerWaalsContact O-CB 3.32Å; L163-T167 WeakPolarHBondContact O-CB 3.49Å; L163-T167 PolarHBondContact O-N 3.49Å; L163-T167 PolarHBondContact O-OG1 2.93Å; T167-L169 PolarHBondContact O-N 3.35Å; T167-I170 PolarHBondContact O-N 2.89Å; T167-T171 WeakPolarHBondContact O-CB 3.29Å; T167-T171 PolarHBondContact O-N 3.21Å; T167-T171 PolarHBondContact O-OG1 3.22Å; T167-L402 HydrophobicContact CG2-CB 3.62Å; T167-L402 HydrophobicContact CG2-CD1 4.26Å; T167-T403 HydrophobicContact CG2-CG2 4.05Å; T167-F406 HydrophobicContact CG2-CD2 4.13Å; T167-F406 HydrophobicContact CG2-CE2 3.68Å |
| 168 | G | 78.4 | Confident | 79 | Confident | 25 Ų | 25 | 35.4 Ų | 35.4 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L164 F165 I170 T171 V172 | L164-G168 PolarHBondContact O-N 3.33Å; F165-G168 PolarHBondContact O-N 3.48Å; G168-I170 VanDerWaalsContact C-N 3.26Å; G168-I170 PolarHBondContact O-N 2.98Å; G168-T171 PolarHBondContact O-N 3.38Å; G168-V172 WeakPolarHBondContact O-CB 3.38Å; G168-V172 WeakPolarHBondContact O-CG2 3.3Å; G168-V172 PolarHBondContact O-N 3.46Å |
| 169 | L | 73.3 | Confident | 78.9 | Confident | 79 Ų | 79 | 32 Ų | 32 | 41% | 0.414 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.4 | -39 | 178.7 | -170.3 | 150.8 | 0 | 0 | 0 | 112.1 | L19 F165 L166 T167 T173 | L19-L169 HydrophobicContact CD2-CD2 3.44Å; L19-L169 VanDerWaalsContact CD2-CD2 3.44Å; F165-L169 HydrophobicContact CE1-CD1 4.47Å; F165-L169 HydrophobicContact CZ-CD1 4.39Å; F165-L169 WeakPolarHBondContact O-CB 3.46Å; F165-L169 PolarHBondContact O-N 3.15Å; L166-L169 PolarHBondContact O-N 2.9Å; T167-L169 PolarHBondContact O-N 3.35Å; L169-T173 WeakPolarHBondContact O-CG2 3.31Å; L169-T173 PolarHBondContact O-OG1 3.09Å |
| 170 | I | 71.5 | Confident | 79 | Confident | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -78.4 | -41.6 | 178.8 | -61.5 | 163.8 | 0 | 0 | 0 | 111.1 | L18 L19 L166 T167 G168 T173 I399 | L18-I170 HydrophobicContact CD2-CD1 3.38Å; L18-I170 HydrophobicContact CG-CD1 3.9Å; L19-I170 HydrophobicContact CD2-CG1 4.29Å; L166-I170 PolarHBondContact O-N 2.83Å; T167-I170 PolarHBondContact O-N 2.89Å; G168-I170 VanDerWaalsContact C-N 3.26Å; G168-I170 PolarHBondContact O-N 2.98Å; I170-T173 PolarHBondContact O-N 2.86Å; I170-T173 PolarHBondContact O-OG1 3.34Å; I170-I399 HydrophobicContact CD1-CD1 4.21Å; I170-I399 HydrophobicContact CD1-CG2 3.77Å |
| 171 | T | 73.4 | Confident | 79 | Confident | 26 Ų | 26 | 35.4 Ų | 35.4 | 16% | 0.16 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68 | -42.4 | -177.5 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | T167 G168 T173 G174 T403 F406 | T167-T171 WeakPolarHBondContact O-CB 3.29Å; T167-T171 PolarHBondContact O-N 3.21Å; T167-T171 PolarHBondContact O-OG1 3.22Å; G168-T171 PolarHBondContact O-N 3.38Å; T171-T173 PolarHBondContact O-N 3.4Å; T171-G174 PolarHBondContact O-N 3.03Å; T171-T403 WeakPolarHBondContact OG1-CG2 3.46Å; T171-F406 HydrophobicContact CG2-CB 4.24Å; T171-F406 HydrophobicContact CG2-CD2 4.37Å |
| 172 | V | 65.4 | Low | 79.1 | Confident | 72 Ų | 72 | 30.8 Ų | 30.8 | 44% | 0.436 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.2 | -27.8 | -176.5 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | G168 R435 | G168-V172 WeakPolarHBondContact O-CB 3.38Å; G168-V172 WeakPolarHBondContact O-CG2 3.3Å; G168-V172 PolarHBondContact O-N 3.46Å; V172-R435 PolarHBondContact O-NH2 3.48Å |
| 173 | T | 63.6 | Low | 79.5 | Confident | 60 Ų | 60 | 27.9 Ų | 27.9 | 37% | 0.368 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -86.6 | -22.5 | -174.7 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | L26 R31 L169 I170 T171 | L26-T173 WeakPolarHBondContact CD2-O 3.04Å; R31-T173 PolarHBondContact NH2-O 2.8Å; L169-T173 WeakPolarHBondContact O-CG2 3.31Å; L169-T173 PolarHBondContact O-OG1 3.09Å; I170-T173 PolarHBondContact O-N 2.86Å; I170-T173 PolarHBondContact O-OG1 3.34Å; T171-T173 PolarHBondContact O-N 3.4Å |
| 174 | G | 65.2 | Low | 79.8 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 7% | 0.072 | 16% | 0.16 | C | C | . | . | trans | -118.8 | 159 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y37 T171 | Y37-G174 WeakPolarHBondContact CE2-O 3.43Å; Y37-G174 PolarHBondContact OH-O 3.22Å; T171-G174 PolarHBondContact O-N 3.03Å | ||
| 175 | G | 72.3 | Confident | 80.1 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | trans | -100 | -171.2 | 161 | 0 | 0 | 0 | 0 | 0 | 110.9 | A177 A178 V179 | G175-A177 PolarHBondContact O-N 3.45Å; G175-A177 VanDerWaalsContact O-N 3.1Å; G175-A178 WeakPolarHBondContact O-CB 3.15Å; G175-A178 PolarHBondContact O-N 3.01Å; G175-V179 PolarHBondContact O-N 3.16Å | ||
| 176 | L | 74.7 | Confident | 80.6 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.5 | -35.1 | -179.4 | -176.9 | 67.4 | 0 | 0 | 0 | 112.2 | Y37 F38 A40 A178 V179 L180 Q307 A311 | Y37-L176 WeakPolarHBondContact O-CB 3.42Å; Y37-L176 PolarHBondContact O-N 3.36Å; F38-L176 WeakPolarHBondContact O-CD2 3.44Å; A40-L176 HydrophobicContact CB-CB 4.35Å; A40-L176 HydrophobicContact CB-CD2 4.39Å; A40-L176 HydrophobicContact CB-CG 4.33Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.96Å; L176-V179 WeakPolarHBondContact O-CB 3.37Å; L176-V179 PolarHBondContact O-N 3Å; L176-L180 HydrophobicContact CD1-CD1 3.59Å; L176-L180 HydrophobicContact CD2-CD1 4.49Å; L176-L180 HydrophobicContact CG-CD1 3.82Å; L176-L180 WeakPolarHBondContact O-CD1 3.39Å; L176-L180 PolarHBondContact O-N 3.42Å; L176-Q307 HydrophobicContact CD2-CG 4.13Å; L176-A311 HydrophobicContact CD2-CB 3.95Å |
| 177 | A | 78.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A40 F43 M44 G175 V179 L180 Y181 | A40-A177 HydrophobicContact CB-CB 3.67Å; F43-A177 HydrophobicContact CZ-CB 4.5Å; M44-A177 HydrophobicContact CE-CB 3.68Å; G175-A177 PolarHBondContact O-N 3.45Å; G175-A177 VanDerWaalsContact O-N 3.1Å; A177-V179 VanDerWaalsContact C-N 3.34Å; A177-L180 PolarHBondContact O-N 3.5Å; A177-Y181 WeakPolarHBondContact O-CD2 3.43Å; A177-Y181 PolarHBondContact O-N 3.01Å |
| 178 | A | 82.5 | Confident | 81.8 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A25 L26 G175 L176 L180 Y181 T182 | A25-A178 HydrophobicContact CB-CB 3.87Å; L26-A178 HydrophobicContact CD2-CB 3.98Å; G175-A178 WeakPolarHBondContact O-CB 3.15Å; G175-A178 PolarHBondContact O-N 3.01Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.96Å; A178-L180 PolarHBondContact O-N 2.97Å; A178-Y181 PolarHBondContact O-N 3.34Å; A178-T182 PolarHBondContact O-N 3.43Å; A178-T182 PolarHBondContact O-OG1 2.86Å |
| 179 | V | 86.6 | Confident | 82.6 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 6% | 0.055 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | G175 L176 A177 Y181 T182 D183 | G175-V179 PolarHBondContact O-N 3.16Å; L176-V179 WeakPolarHBondContact O-CB 3.37Å; L176-V179 PolarHBondContact O-N 3Å; A177-V179 VanDerWaalsContact C-N 3.34Å; V179-Y181 VanDerWaalsContact C-N 3.32Å; V179-Y181 PolarHBondContact O-N 3.3Å; V179-T182 WeakPolarHBondContact CA-OG1 3.26Å; V179-T182 PolarHBondContact O-N 2.97Å; V179-T182 PolarHBondContact O-OG1 2.71Å; V179-D183 VanDerWaalsContact CG1-OD2 3.31Å; V179-D183 WeakPolarHBondContact CG1-OD2 3.33Å; V179-D183 VanDerWaalsContact O-CB 3.29Å; V179-D183 WeakPolarHBondContact O-CB 3.38Å; V179-D183 PolarHBondContact O-N 3.22Å; V179-D183 VanDerWaalsContact O-OD1 3.04Å |
| 180 | L | 89 | Confident | 83.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.6 | -37.6 | 178.8 | -98.1 | 60.8 | 0 | 0 | 0 | 113.5 | M44 V49 S52 L176 A177 A178 T184 R308 A311 | M44-L180 HydrophobicContact CB-CD2 4.16Å; M44-L180 HydrophobicContact CE-CB 4.18Å; M44-L180 HydrophobicContact CE-CD2 4.26Å; M44-L180 HydrophobicContact CG-CD2 3.62Å; M44-L180 HydrophobicContact SD-CD2 4.25Å; V49-L180 HydrophobicContact CG2-CD2 4.24Å; S52-L180 WeakPolarHBondContact OG-CD1 3.22Å; L176-L180 HydrophobicContact CD1-CD1 3.59Å; L176-L180 HydrophobicContact CD2-CD1 4.49Å; L176-L180 HydrophobicContact CG-CD1 3.82Å; L176-L180 WeakPolarHBondContact O-CD1 3.39Å; L176-L180 PolarHBondContact O-N 3.42Å; A177-L180 PolarHBondContact O-N 3.5Å; A178-L180 PolarHBondContact O-N 2.97Å; L180-T184 PolarHBondContact O-N 2.85Å; L180-T184 VanDerWaalsContact O-N 3.08Å; L180-T184 PolarHBondContact O-OG1 3.01Å; L180-R308 HydrophobicContact CD1-CG 4.39Å; L180-A311 HydrophobicContact CD2-CB 4.07Å |
| 181 | Y | 88.3 | Confident | 84.7 | Confident | 74 Ų | 74 | 24 Ų | 24 | 29% | 0.29 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -71.3 | -42.5 | 177 | -77 | -64.3 | 0 | 0 | 0 | 112.4 | A25 M44 A177 A178 V179 D183 T184 L185 | A25-Y181 HydrophobicContact CB-CD2 3.6Å; A25-Y181 HydrophobicContact CB-CE2 4.47Å; A25-Y181 HydrophobicContact CB-CG 4.17Å; M44-Y181 HydrophobicContact CE-CD2 4.36Å; M44-Y181 HydrophobicContact CE-CE2 3.89Å; A177-Y181 WeakPolarHBondContact O-CD2 3.43Å; A177-Y181 PolarHBondContact O-N 3.01Å; A178-Y181 PolarHBondContact O-N 3.34Å; V179-Y181 VanDerWaalsContact C-N 3.32Å; V179-Y181 PolarHBondContact O-N 3.3Å; Y181-D183 VanDerWaalsContact C-N 3.31Å; Y181-T184 WeakPolarHBondContact O-CB 3.48Å; Y181-T184 PolarHBondContact O-N 3.32Å; Y181-L185 PolarHBondContact O-N 3.47Å |
| 182 | T | 90.6 | Very high | 85.8 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 175.2 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | L18 A178 V179 T184 L185 Q186 | L18-T182 HydrophobicContact CD1-CG2 3.93Å; A178-T182 PolarHBondContact O-N 3.43Å; A178-T182 PolarHBondContact O-OG1 2.86Å; V179-T182 WeakPolarHBondContact CA-OG1 3.26Å; V179-T182 PolarHBondContact O-N 2.97Å; V179-T182 PolarHBondContact O-OG1 2.71Å; T182-T184 VanDerWaalsContact C-N 3.26Å; T182-T184 PolarHBondContact O-N 3Å; T182-L185 WeakPolarHBondContact O-CB 3.4Å; T182-L185 PolarHBondContact O-N 2.63Å; T182-L185 VanDerWaalsContact O-N 3.1Å; T182-Q186 VanDerWaalsContact O-CG 3.31Å; T182-Q186 WeakPolarHBondContact O-CG 3.42Å; T182-Q186 PolarHBondContact O-N 3.27Å |
| 183 | D | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.9 | -30.5 | 179.9 | -63 | -3.4 | 0 | 0 | 0 | 111.5 | A55 V179 Y181 Q186 F187 R308 | A55-D183 HydrophobicContact CB-CB 4.15Å; V179-D183 VanDerWaalsContact CG1-OD2 3.31Å; V179-D183 WeakPolarHBondContact CG1-OD2 3.33Å; V179-D183 VanDerWaalsContact O-CB 3.29Å; V179-D183 WeakPolarHBondContact O-CB 3.38Å; V179-D183 PolarHBondContact O-N 3.22Å; V179-D183 VanDerWaalsContact O-OD1 3.04Å; Y181-D183 VanDerWaalsContact C-N 3.31Å; D183-Q186 PolarHBondContact O-N 3.3Å; D183-Q186 PolarHBondContact OD1-OE1 3.17Å; D183-Q186 VanDerWaalsContact OD1-OE1 3.12Å; D183-F187 WeakPolarHBondContact O-CB 3.4Å; D183-F187 PolarHBondContact O-N 3.29Å; D183-R308 IonicContact OD2-CZ 2.86Å; D183-R308 IonicContact OD2-NH1 3.91Å; D183-R308 PolarHBondContact OD2-NH1 2.92Å; D183-R308 IonicContact OD2-NH2 3.14Å; D183-R308 PolarHBondContact OD2-NH2 3.5Å |
| 184 | T | 93.3 | Very high | 88.8 | Confident | 20 Ų | 20 | 21 Ų | 21 | 12% | 0.123 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 172.2 | -56 | 0 | 0 | 0 | 0 | 111.3 | P48 A51 L180 Y181 T182 F187 F188 | P48-T184 WeakPolarHBondContact CA-OG1 3.49Å; A51-T184 HydrophobicContact CB-CG2 4.3Å; L180-T184 PolarHBondContact O-N 2.85Å; L180-T184 VanDerWaalsContact O-N 3.08Å; L180-T184 PolarHBondContact O-OG1 3.01Å; Y181-T184 WeakPolarHBondContact O-CB 3.48Å; Y181-T184 PolarHBondContact O-N 3.32Å; T182-T184 VanDerWaalsContact C-N 3.26Å; T182-T184 PolarHBondContact O-N 3Å; T184-F187 WeakPolarHBondContact O-CB 3.47Å; T184-F188 HydrophobicContact CG2-CD2 4.49Å; T184-F188 HydrophobicContact CG2-CE2 4.03Å; T184-F188 WeakPolarHBondContact O-CD2 3.41Å; T184-F188 PolarHBondContact O-N 2.74Å |
| 185 | L | 92.9 | Very high | 90.3 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 20% | 0.199 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -47.6 | 174.4 | 178.5 | 151.9 | 0 | 0 | 0 | 110.7 | Y14 A17 T21 Y181 T182 F187 F188 V189 | Y14-L185 HydrophobicContact CD2-CD2 4.47Å; Y14-L185 HydrophobicContact CE2-CD2 4.21Å; A17-L185 HydrophobicContact CB-CD1 3.9Å; T21-L185 HydrophobicContact CG2-CB 4.47Å; T21-L185 HydrophobicContact CG2-CD1 3.56Å; Y181-L185 PolarHBondContact O-N 3.47Å; T182-L185 WeakPolarHBondContact O-CB 3.4Å; T182-L185 PolarHBondContact O-N 2.63Å; T182-L185 VanDerWaalsContact O-N 3.1Å; L185-F187 VanDerWaalsContact C-N 3.3Å; L185-F187 PolarHBondContact O-N 3.14Å; L185-F188 PolarHBondContact O-N 3.45Å; L185-V189 HydrophobicContact CD2-CG2 3.94Å; L185-V189 WeakPolarHBondContact O-CG2 3.45Å; L185-V189 PolarHBondContact O-N 2.98Å; L185-V189 VanDerWaalsContact O-N 3.09Å |
| 186 | Q | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | -178.7 | -69.8 | 170.4 | -36.3 | 0 | 0 | 111.8 | Y14 L18 T182 D183 F188 V189 M190 A396 S400 | Y14-Q186 PolarHBondContact OH-NE2 3.37Å; L18-Q186 HydrophobicContact CD1-CG 4.1Å; T182-Q186 VanDerWaalsContact O-CG 3.31Å; T182-Q186 WeakPolarHBondContact O-CG 3.42Å; T182-Q186 PolarHBondContact O-N 3.27Å; D183-Q186 PolarHBondContact O-N 3.3Å; D183-Q186 PolarHBondContact OD1-OE1 3.17Å; D183-Q186 VanDerWaalsContact OD1-OE1 3.12Å; Q186-F188 PolarHBondContact O-N 3.49Å; Q186-V189 PolarHBondContact O-N 3.27Å; Q186-M190 HydrophobicContact CB-CE 4.26Å; Q186-M190 WeakPolarHBondContact O-CB 3.2Å; Q186-M190 VanDerWaalsContact O-CG 3.27Å; Q186-M190 WeakPolarHBondContact O-CG 3.24Å; Q186-M190 PolarHBondContact O-N 3.12Å; Q186-A396 HydrophobicContact CB-CB 4Å; Q186-A396 HydrophobicContact CG-CB 3.84Å; Q186-A396 PolarHBondContact NE2-O 2.79Å; Q186-S400 VanDerWaalsContact OE1-CB 3.32Å |
| 187 | F | 95 | Very high | 92.5 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 6% | 0.057 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.6 | -52.2 | 172.3 | 161.9 | -102.7 | 0 | 0 | 0 | 112.1 | A51 F54 A55 D183 T184 L185 M190 I191 M324 I328 | A51-F187 HydrophobicContact CB-CB 3.74Å; A51-F187 HydrophobicContact CB-CD1 3.76Å; A51-F187 HydrophobicContact CB-CD2 4.32Å; A51-F187 HydrophobicContact CB-CG 3.65Å; F54-F187 HydrophobicContact CB-CD2 4.19Å; F54-F187 HydrophobicContact CB-CE2 4.43Å; F54-F187 AromaticContact CD1-CD2 3.57Å; F54-F187 HydrophobicContact CD1-CD2 3.57Å; F54-F187 AromaticContact CD1-CE2 3.93Å; F54-F187 HydrophobicContact CD1-CE2 3.93Å; F54-F187 HydrophobicContact CE1-CD2 4.22Å; F54-F187 HydrophobicContact CE1-CE2 4.4Å; F54-F187 HydrophobicContact CG-CD2 4.09Å; F54-F187 HydrophobicContact CG-CE2 4.18Å; A55-F187 HydrophobicContact CB-CB 4.4Å; D183-F187 WeakPolarHBondContact O-CB 3.4Å; D183-F187 PolarHBondContact O-N 3.29Å; T184-F187 WeakPolarHBondContact O-CB 3.47Å; L185-F187 VanDerWaalsContact C-N 3.3Å; L185-F187 PolarHBondContact O-N 3.14Å; F187-M190 PolarHBondContact O-N 2.96Å; F187-I191 HydrophobicContact CD2-CG1 4.1Å; F187-I191 HydrophobicContact CE2-CD1 4.25Å; F187-I191 HydrophobicContact CE2-CG1 3.61Å; F187-I191 HydrophobicContact CZ-CG1 4.01Å; F187-I191 WeakPolarHBondContact O-CG1 3.46Å; F187-I191 PolarHBondContact O-N 3.24Å; F187-M324 HydrophobicContact CE1-CE 4.21Å; F187-M324 HydrophobicContact CE2-CE 4.42Å; F187-M324 HydrophobicContact CZ-CE 4.06Å; F187-I328 HydrophobicContact CE2-CD1 3.71Å; F187-I328 HydrophobicContact CE2-CG2 4.15Å; F187-I328 HydrophobicContact CZ-CD1 3.57Å |
| 188 | F | 95.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 26.2 Ų | 26.2 | 43% | 0.425 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 179 | -72.7 | -68.2 | 0 | 0 | 0 | 111.9 | T184 L185 Q186 M190 I191 I192 | T184-F188 HydrophobicContact CG2-CD2 4.49Å; T184-F188 HydrophobicContact CG2-CE2 4.03Å; T184-F188 WeakPolarHBondContact O-CD2 3.41Å; T184-F188 PolarHBondContact O-N 2.74Å; L185-F188 PolarHBondContact O-N 3.45Å; Q186-F188 PolarHBondContact O-N 3.49Å; F188-M190 VanDerWaalsContact C-N 3.33Å; F188-M190 PolarHBondContact O-N 3.47Å; F188-I191 PolarHBondContact O-N 3.01Å; F188-I192 WeakPolarHBondContact O-CB 3.21Å; F188-I192 WeakPolarHBondContact O-CD1 3.18Å; F188-I192 WeakPolarHBondContact O-CG1 3.35Å; F188-I192 PolarHBondContact O-N 3.38Å |
| 189 | V | 94.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 30.1 Ų | 30.1 | 18% | 0.176 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 175.9 | 173 | 0 | 0 | 0 | 0 | 110.3 | Y14 L185 Q186 G193 V393 | Y14-V189 HydrophobicContact CD2-CG1 4.47Å; Y14-V189 HydrophobicContact CD2-CG2 4.45Å; L185-V189 HydrophobicContact CD2-CG2 3.94Å; L185-V189 WeakPolarHBondContact O-CG2 3.45Å; L185-V189 PolarHBondContact O-N 2.98Å; L185-V189 VanDerWaalsContact O-N 3.09Å; Q186-V189 PolarHBondContact O-N 3.27Å; V189-G193 PolarHBondContact O-N 2.84Å; V189-V393 HydrophobicContact CG1-CB 4.49Å; V189-V393 HydrophobicContact CG1-CG2 3.64Å; V189-V393 WeakPolarHBondContact O-CG2 3.45Å |
| 190 | M | 95.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | -179.7 | -74 | -173.2 | -75 | 0 | 0 | 113.3 | A55 I58 F63 Q186 F187 F188 A194 V393 A396 A397 | A55-M190 HydrophobicContact CB-CE 3.42Å; A55-M190 VanDerWaalsContact CB-CE 3.42Å; I58-M190 HydrophobicContact CG2-SD 4.28Å; F63-M190 HydrophobicContact CE2-SD 4.48Å; Q186-M190 HydrophobicContact CB-CE 4.26Å; Q186-M190 WeakPolarHBondContact O-CB 3.2Å; Q186-M190 VanDerWaalsContact O-CG 3.27Å; Q186-M190 WeakPolarHBondContact O-CG 3.24Å; Q186-M190 PolarHBondContact O-N 3.12Å; F187-M190 PolarHBondContact O-N 2.96Å; F188-M190 VanDerWaalsContact C-N 3.33Å; F188-M190 PolarHBondContact O-N 3.47Å; M190-A194 WeakPolarHBondContact O-CB 3.12Å; M190-A194 PolarHBondContact O-N 3.39Å; M190-V393 HydrophobicContact CB-CG1 4.35Å; M190-V393 HydrophobicContact CG-CG1 4.09Å; M190-A396 HydrophobicContact CG-CB 4.37Å; M190-A397 HydrophobicContact SD-CB 3.66Å |
| 191 | I | 94.9 | Very high | 95 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 16% | 0.164 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -46.8 | 179.5 | -67.2 | -63.3 | 0 | 0 | 0 | 111 | F54 F187 F188 L195 I328 L331 | F54-I191 HydrophobicContact CE1-CD1 3.63Å; F54-I191 HydrophobicContact CE1-CG1 4.2Å; F54-I191 HydrophobicContact CE2-CD1 4.35Å; F54-I191 HydrophobicContact CZ-CD1 3.48Å; F54-I191 VanDerWaalsContact CZ-CD1 3.48Å; F54-I191 HydrophobicContact CZ-CG1 4.5Å; F187-I191 HydrophobicContact CD2-CG1 4.1Å; F187-I191 HydrophobicContact CE2-CD1 4.25Å; F187-I191 HydrophobicContact CE2-CG1 3.61Å; F187-I191 HydrophobicContact CZ-CG1 4.01Å; F187-I191 WeakPolarHBondContact O-CG1 3.46Å; F187-I191 PolarHBondContact O-N 3.24Å; F188-I191 PolarHBondContact O-N 3.01Å; I191-L195 WeakPolarHBondContact O-CB 3.23Å; I191-L195 PolarHBondContact O-N 3.1Å; I191-I328 HydrophobicContact CD1-CG2 3.76Å; I191-L331 HydrophobicContact CD1-CD1 4.49Å |
| 192 | I | 95.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 29.8 Ų | 29.8 | 47% | 0.467 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.3 | -46.7 | -179 | -67.4 | 168.3 | 0 | 0 | 0 | 110.4 | F188 L195 I196 | F188-I192 WeakPolarHBondContact O-CB 3.21Å; F188-I192 WeakPolarHBondContact O-CD1 3.18Å; F188-I192 WeakPolarHBondContact O-CG1 3.35Å; F188-I192 PolarHBondContact O-N 3.38Å; I192-L195 PolarHBondContact O-N 3.21Å; I192-I196 HydrophobicContact CG2-CD1 3.79Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.38Å; I192-I196 PolarHBondContact O-N 3.06Å |
| 193 | G | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -50.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V189 L195 I196 L197 M390 | V189-G193 PolarHBondContact O-N 2.84Å; G193-L195 VanDerWaalsContact C-N 3.31Å; G193-L195 PolarHBondContact O-N 3.08Å; G193-I196 PolarHBondContact O-N 3.42Å; G193-L197 PolarHBondContact O-N 3.41Å; G193-M390 WeakPolarHBondContact CA-SD 3.16Å |
| 194 | A | 96.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F63 M190 L197 A198 L335 | F63-A194 HydrophobicContact CE1-CB 4.02Å; F63-A194 HydrophobicContact CZ-CB 4.31Å; M190-A194 WeakPolarHBondContact O-CB 3.12Å; M190-A194 PolarHBondContact O-N 3.39Å; A194-L197 PolarHBondContact O-N 2.94Å; A194-A198 VanDerWaalsContact O-CB 3.27Å; A194-A198 WeakPolarHBondContact O-CB 3.35Å; A194-A198 PolarHBondContact O-N 3.22Å; A194-L335 HydrophobicContact CB-CB 4.15Å; A194-L335 HydrophobicContact CB-CD1 4.32Å |
| 195 | L | 96.7 | Very high | 95.9 | Very high | 83 Ų | 83 | 39.2 Ų | 39.2 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63 | -47.2 | 174.9 | -178 | 65 | 0 | 0 | 0 | 112.3 | I191 I192 G193 L197 A198 I199 L335 | I191-L195 WeakPolarHBondContact O-CB 3.23Å; I191-L195 PolarHBondContact O-N 3.1Å; I192-L195 PolarHBondContact O-N 3.21Å; G193-L195 VanDerWaalsContact C-N 3.31Å; G193-L195 PolarHBondContact O-N 3.08Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 2.74Å; L195-A198 PolarHBondContact O-N 3.15Å; L195-I199 HydrophobicContact CD1-CD1 4.18Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 4Å; L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.05Å; L195-I199 PolarHBondContact O-N 3.06Å; L195-L335 HydrophobicContact CB-CD2 4.39Å; L195-L335 HydrophobicContact CD1-CD2 3.92Å |
| 196 | I | 97.2 | Very high | 96 | Very high | 45 Ų | 45 | 40 Ų | 40 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 177.8 | -70 | 167 | 0 | 0 | 0 | 110.3 | I192 G193 A198 I199 I200 L386 L389 | I192-I196 HydrophobicContact CG2-CD1 3.79Å; I192-I196 VanDerWaalsContact O-CG1 3.28Å; I192-I196 WeakPolarHBondContact O-CG1 3.38Å; I192-I196 PolarHBondContact O-N 3.06Å; G193-I196 PolarHBondContact O-N 3.42Å; I196-A198 PolarHBondContact O-N 2.93Å; I196-I199 PolarHBondContact O-N 3.38Å; I196-I200 HydrophobicContact CG2-CD1 3.93Å; I196-I200 WeakPolarHBondContact O-CG1 3.34Å; I196-I200 PolarHBondContact O-N 3.44Å; I196-I200 VanDerWaalsContact O-N 3.09Å; I196-L386 HydrophobicContact CD1-CD2 4.29Å; I196-L386 HydrophobicContact CG2-CD1 3.85Å; I196-L386 HydrophobicContact CG2-CD2 4.21Å; I196-L389 HydrophobicContact CD1-CD2 3.93Å |
| 197 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.6 | -177.7 | 52.1 | 0 | 0 | 0 | 112 | G193 A194 L195 I199 I200 S201 Y374 L377 V378 I381 M382 M390 | G193-L197 PolarHBondContact O-N 3.41Å; A194-L197 PolarHBondContact O-N 2.94Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 2.74Å; L197-I199 VanDerWaalsContact C-N 3.33Å; L197-I199 PolarHBondContact O-N 2.88Å; L197-I200 PolarHBondContact O-N 2.95Å; L197-S201 VanDerWaalsContact O-CB 3.3Å; L197-S201 WeakPolarHBondContact O-CB 3.33Å; L197-S201 PolarHBondContact O-N 3.33Å; L197-S201 PolarHBondContact O-OG 3.17Å; L197-Y374 HydrophobicContact CD2-CD1 4.31Å; L197-Y374 HydrophobicContact CD2-CD2 4.25Å; L197-Y374 HydrophobicContact CD2-CE1 3.72Å; L197-Y374 HydrophobicContact CD2-CE2 3.64Å; L197-L377 HydrophobicContact CD1-CB 4.25Å; L197-L377 HydrophobicContact CD2-CB 4.42Å; L197-V378 HydrophobicContact CD2-CG2 3.99Å; L197-I381 HydrophobicContact CD1-CD1 3.7Å; L197-I381 HydrophobicContact CD1-CG1 4.09Å; L197-M382 HydrophobicContact CB-CE 3.77Å; L197-M382 HydrophobicContact CD1-CE 3.22Å; L197-M382 HydrophobicContact CD1-CG 4.02Å; L197-M382 HydrophobicContact CD1-SD 4.41Å; L197-M382 HydrophobicContact CD2-CE 3.49Å; L197-M382 VanDerWaalsContact CD2-CE 3.49Å; L197-M382 HydrophobicContact CG-CE 3.61Å; L197-M390 HydrophobicContact CB-CE 4.05Å; L197-M390 HydrophobicContact CD2-CE 3.78Å |
| 198 | A | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A194 L195 I196 I200 S201 Y202 L335 P339 | A194-A198 VanDerWaalsContact O-CB 3.27Å; A194-A198 WeakPolarHBondContact O-CB 3.35Å; A194-A198 PolarHBondContact O-N 3.22Å; L195-A198 PolarHBondContact O-N 3.15Å; I196-A198 PolarHBondContact O-N 2.93Å; A198-I200 PolarHBondContact O-N 3.14Å; A198-S201 WeakPolarHBondContact O-CB 3.45Å; A198-S201 PolarHBondContact O-N 2.94Å; A198-S201 VanDerWaalsContact O-N 3.17Å; A198-Y202 HydrophobicContact CB-CD2 4.37Å; A198-Y202 HydrophobicContact CB-CE2 4.23Å; A198-Y202 WeakPolarHBondContact O-CD2 3.31Å; A198-Y202 PolarHBondContact O-N 3.14Å; A198-L335 HydrophobicContact CB-CD2 3.67Å; A198-P339 HydrophobicContact CB-CG 4.03Å |
| 199 | I | 97.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 46% | 0.456 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.1 | -49.5 | 178.3 | -67.8 | 165.7 | 0 | 0 | 0 | 111.3 | L195 I196 L197 S201 Y202 I203 | L195-I199 HydrophobicContact CD1-CD1 4.18Å; L195-I199 HydrophobicContact CD1-CG1 4.45Å; L195-I199 HydrophobicContact CG-CD1 4Å; L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.05Å; L195-I199 PolarHBondContact O-N 3.06Å; I196-I199 PolarHBondContact O-N 3.38Å; L197-I199 VanDerWaalsContact C-N 3.33Å; L197-I199 PolarHBondContact O-N 2.88Å; I199-S201 VanDerWaalsContact C-N 3.34Å; I199-S201 PolarHBondContact O-N 3.15Å; I199-Y202 PolarHBondContact O-N 3.2Å; I199-I203 HydrophobicContact CG2-CD1 3.87Å; I199-I203 VanDerWaalsContact O-CG1 3.3Å; I199-I203 WeakPolarHBondContact O-CG1 3.44Å; I199-I203 PolarHBondContact O-N 3.42Å |
| 200 | I | 97.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 179.1 | -64.8 | 170 | 0 | 0 | 0 | 110.8 | I196 L197 A198 I203 N204 I381 L386 | I196-I200 HydrophobicContact CG2-CD1 3.93Å; I196-I200 WeakPolarHBondContact O-CG1 3.34Å; I196-I200 PolarHBondContact O-N 3.44Å; I196-I200 VanDerWaalsContact O-N 3.09Å; L197-I200 PolarHBondContact O-N 2.95Å; A198-I200 PolarHBondContact O-N 3.14Å; I200-I203 PolarHBondContact O-N 3.09Å; I200-N204 WeakPolarHBondContact CG2-ND2 3.31Å; I200-N204 PolarHBondContact O-N 3.46Å; I200-N204 VanDerWaalsContact O-N 3.08Å; I200-N204 PolarHBondContact O-ND2 3.33Å; I200-I381 HydrophobicContact CG2-CB 4.46Å; I200-I381 HydrophobicContact CG2-CD1 3.95Å; I200-I381 HydrophobicContact CG2-CG1 3.82Å; I200-L386 HydrophobicContact CD1-CD1 4.05Å |
| 201 | S | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 111 | L197 A198 I199 I203 N204 A205 I381 | L197-S201 VanDerWaalsContact O-CB 3.3Å; L197-S201 WeakPolarHBondContact O-CB 3.33Å; L197-S201 PolarHBondContact O-N 3.33Å; L197-S201 PolarHBondContact O-OG 3.17Å; A198-S201 WeakPolarHBondContact O-CB 3.45Å; A198-S201 PolarHBondContact O-N 2.94Å; A198-S201 VanDerWaalsContact O-N 3.17Å; I199-S201 VanDerWaalsContact C-N 3.34Å; I199-S201 PolarHBondContact O-N 3.15Å; S201-I203 VanDerWaalsContact C-N 3.34Å; S201-I203 PolarHBondContact O-N 3Å; S201-N204 PolarHBondContact O-N 3.22Å; S201-A205 WeakPolarHBondContact O-CB 3.42Å; S201-A205 PolarHBondContact O-N 3.14Å; S201-I381 WeakPolarHBondContact OG-CD1 3.31Å |
| 202 | Y | 97 | Very high | 95.7 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -42 | 178.7 | -80.8 | -71.9 | 0 | 0 | 0 | 111.9 | A198 I199 N204 A205 G206 G207 F208 V211 F334 I338 I342 | A198-Y202 HydrophobicContact CB-CD2 4.37Å; A198-Y202 HydrophobicContact CB-CE2 4.23Å; A198-Y202 WeakPolarHBondContact O-CD2 3.31Å; A198-Y202 PolarHBondContact O-N 3.14Å; I199-Y202 PolarHBondContact O-N 3.2Å; Y202-N204 PolarHBondContact O-N 3.01Å; Y202-A205 PolarHBondContact O-N 3.25Å; Y202-G206 PolarHBondContact O-N 3.42Å; Y202-G207 WeakPolarHBondContact O-CA 3.36Å; Y202-G207 PolarHBondContact O-N 3.4Å; Y202-F208 HydrophobicContact CE1-CB 4.47Å; Y202-F208 HydrophobicContact CE1-CD2 4.24Å; Y202-V211 HydrophobicContact CD1-CG2 4.48Å; Y202-F334 PolarHBondContact OH-O 3.26Å; Y202-I338 HydrophobicContact CE1-CG2 3.54Å; Y202-I338 HydrophobicContact CE2-CG2 4.5Å; Y202-I338 VanDerWaalsContact CZ-CG2 3.49Å; Y202-I338 VanDerWaalsContact OH-CB 3.3Å; Y202-I338 WeakPolarHBondContact OH-CB 3.38Å; Y202-I338 WeakPolarHBondContact OH-CD1 3.25Å; Y202-I338 WeakPolarHBondContact OH-CG2 3.29Å; Y202-I342 HydrophobicContact CD1-CD1 4.02Å; Y202-I342 HydrophobicContact CE1-CD1 4.27Å; Y202-I342 HydrophobicContact CG-CD1 4.2Å |
| 203 | I | 97.1 | Very high | 95.5 | Very high | 122 Ų | 122 | 41.3 Ų | 41.3 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.2 | -47.5 | 177.4 | -68.5 | 165.7 | 0 | 0 | 0 | 110.4 | I199 I200 S201 A205 G206 | I199-I203 HydrophobicContact CG2-CD1 3.87Å; I199-I203 VanDerWaalsContact O-CG1 3.3Å; I199-I203 WeakPolarHBondContact O-CG1 3.44Å; I199-I203 PolarHBondContact O-N 3.42Å; I200-I203 PolarHBondContact O-N 3.09Å; S201-I203 VanDerWaalsContact C-N 3.34Å; S201-I203 PolarHBondContact O-N 3Å; I203-A205 VanDerWaalsContact C-N 3.27Å; I203-A205 PolarHBondContact O-N 3.49Å; I203-G206 PolarHBondContact O-N 3.46Å; I203-G206 VanDerWaalsContact O-N 3.15Å |
| 204 | N | 95.9 | Very high | 95.5 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.5 | -29.5 | 178.8 | -74.5 | -60.2 | 0 | 0 | 0 | 113.2 | I200 S201 Y202 G206 L346 | I200-N204 WeakPolarHBondContact CG2-ND2 3.31Å; I200-N204 PolarHBondContact O-N 3.46Å; I200-N204 VanDerWaalsContact O-N 3.08Å; I200-N204 PolarHBondContact O-ND2 3.33Å; S201-N204 PolarHBondContact O-N 3.22Å; Y202-N204 PolarHBondContact O-N 3.01Å; N204-G206 VanDerWaalsContact C-N 3.32Å; N204-L346 HydrophobicContact CB-CD1 4.02Å; N204-L346 HydrophobicContact CB-CD2 4.36Å |
| 205 | A | 94.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -81 | -8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S201 Y202 I203 G210 V211 I342 | S201-A205 WeakPolarHBondContact O-CB 3.42Å; S201-A205 PolarHBondContact O-N 3.14Å; Y202-A205 PolarHBondContact O-N 3.25Å; I203-A205 VanDerWaalsContact C-N 3.27Å; I203-A205 PolarHBondContact O-N 3.49Å; A205-G210 CarbonylContact O-C 3.38Å; A205-G210 WeakPolarHBondContact O-CA 3.5Å; A205-V211 HydrophobicContact CB-CG2 3.67Å; A205-I342 HydrophobicContact CB-CB 4.49Å; A205-I342 HydrophobicContact CB-CD1 4.17Å; A205-I342 HydrophobicContact CB-CG1 3.86Å; A205-I342 HydrophobicContact CB-CG2 3.91Å |
| 206 | G | 95.1 | Very high | 95.3 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 58% | 0.577 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 28.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y202 I203 N204 G210 | Y202-G206 PolarHBondContact O-N 3.42Å; I203-G206 PolarHBondContact O-N 3.46Å; I203-G206 VanDerWaalsContact O-N 3.15Å; N204-G206 VanDerWaalsContact C-N 3.32Å; G206-G210 PolarHBondContact O-N 2.73Å |
| 207 | G | 95 | Very high | 95.2 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 29% | 0.289 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | 75.9 | -175 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y202 G209 G210 V211 | Y202-G207 WeakPolarHBondContact O-CA 3.36Å; Y202-G207 PolarHBondContact O-N 3.4Å; G207-G209 VanDerWaalsContact C-N 3.31Å; G207-G209 PolarHBondContact O-N 3.41Å; G207-G210 WeakPolarHBondContact O-CA 3.45Å; G207-G210 PolarHBondContact O-N 2.55Å; G207-V211 WeakPolarHBondContact O-CG2 3.26Å; G207-V211 PolarHBondContact O-N 2.72Å |
| 208 | F | 92.5 | Very high | 95.1 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 30% | 0.298 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | -178.6 | -173.8 | -98 | 0 | 0 | 0 | 112.9 | Y202 G210 V211 L212 I338 F841 | Y202-F208 HydrophobicContact CE1-CB 4.47Å; Y202-F208 HydrophobicContact CE1-CD2 4.24Å; F208-G210 VanDerWaalsContact C-N 3.31Å; F208-G210 PolarHBondContact O-N 2.84Å; F208-V211 WeakPolarHBondContact O-CB 3.29Å; F208-V211 PolarHBondContact O-N 2.6Å; F208-L212 PolarHBondContact O-N 2.78Å; F208-I338 HydrophobicContact CD2-CD1 4.3Å; F208-I338 HydrophobicContact CE2-CD1 3.88Å; F208-F841 AromaticContact CE1-CE1 3.65Å; F208-F841 HydrophobicContact CE1-CE1 3.65Å; F208-F841 AromaticContact CE1-CZ 3.52Å; F208-F841 HydrophobicContact CE1-CZ 3.52Å; F208-F841 AromaticContact CZ-CE1 3.99Å; F208-F841 HydrophobicContact CZ-CE1 3.99Å; F208-F841 HydrophobicContact CZ-CE2 4.38Å; F208-F841 AromaticContact CZ-CZ 3.6Å; F208-F841 HydrophobicContact CZ-CZ 3.6Å |
| 209 | G | 93.3 | Very high | 95 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 52% | 0.515 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.3 | -33.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | G207 L212 S213 | G207-G209 VanDerWaalsContact C-N 3.31Å; G207-G209 PolarHBondContact O-N 3.41Å; G209-L212 PolarHBondContact O-N 2.79Å; G209-S213 WeakPolarHBondContact O-CB 3.08Å; G209-S213 PolarHBondContact O-N 3.24Å; G209-S213 PolarHBondContact O-OG 2.69Å |
| 210 | G | 94.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A205 G206 G207 F208 S213 S214 | A205-G210 CarbonylContact O-C 3.38Å; A205-G210 WeakPolarHBondContact O-CA 3.5Å; G206-G210 PolarHBondContact O-N 2.73Å; G207-G210 WeakPolarHBondContact O-CA 3.45Å; G207-G210 PolarHBondContact O-N 2.55Å; F208-G210 VanDerWaalsContact C-N 3.31Å; F208-G210 PolarHBondContact O-N 2.84Å; G210-S213 PolarHBondContact O-N 2.92Å; G210-S213 PolarHBondContact O-OG 3.05Å; G210-S214 WeakPolarHBondContact O-CB 3.38Å; G210-S214 PolarHBondContact O-N 3.49Å; G210-S214 PolarHBondContact O-OG 2.99Å |
| 211 | V | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | Y202 A205 G207 F208 S213 S214 Y215 F271 I338 I342 I345 | Y202-V211 HydrophobicContact CD1-CG2 4.48Å; A205-V211 HydrophobicContact CB-CG2 3.67Å; G207-V211 WeakPolarHBondContact O-CG2 3.26Å; G207-V211 PolarHBondContact O-N 2.72Å; F208-V211 WeakPolarHBondContact O-CB 3.29Å; F208-V211 PolarHBondContact O-N 2.6Å; V211-S213 VanDerWaalsContact C-N 3.33Å; V211-S213 PolarHBondContact O-N 3.02Å; V211-S214 PolarHBondContact O-N 3.05Å; V211-Y215 WeakPolarHBondContact O-CB 3.43Å; V211-Y215 PolarHBondContact O-N 3.17Å; V211-F271 HydrophobicContact CG1-CE1 4.33Å; V211-F271 HydrophobicContact CG1-CZ 4.09Å; V211-I338 HydrophobicContact CG1-CG2 4.41Å; V211-I342 HydrophobicContact CG2-CD1 3.89Å; V211-I342 HydrophobicContact CG2-CG1 3.57Å; V211-I345 HydrophobicContact CB-CD1 4.35Å; V211-I345 HydrophobicContact CG1-CD1 4.02Å |
| 212 | L | 93.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 180 | -174.6 | 62.5 | 0 | 0 | 0 | 112.5 | F208 G209 F271 F841 I844 | F208-L212 PolarHBondContact O-N 2.78Å; G209-L212 PolarHBondContact O-N 2.79Å; L212-F271 HydrophobicContact CB-CZ 4.45Å; L212-F271 HydrophobicContact CD1-CD1 4.05Å; L212-F271 HydrophobicContact CD1-CD2 3.76Å; L212-F271 HydrophobicContact CD1-CE1 4.07Å; L212-F271 HydrophobicContact CD1-CE2 3.79Å; L212-F271 HydrophobicContact CD1-CG 3.88Å; L212-F271 HydrophobicContact CD1-CZ 3.93Å; L212-F841 HydrophobicContact CD1-CD1 4.32Å; L212-I844 HydrophobicContact CD1-CG2 4.24Å |
| 213 | S | 92.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 41.5 Ų | 41.5 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -81 | -19.5 | -178.2 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | G209 G210 V211 R217 | G209-S213 WeakPolarHBondContact O-CB 3.08Å; G209-S213 PolarHBondContact O-N 3.24Å; G209-S213 PolarHBondContact O-OG 2.69Å; G210-S213 PolarHBondContact O-N 2.92Å; G210-S213 PolarHBondContact O-OG 3.05Å; V211-S213 VanDerWaalsContact C-N 3.33Å; V211-S213 PolarHBondContact O-N 3.02Å; S213-R217 PolarHBondContact O-NE 2.88Å; S213-R217 VanDerWaalsContact O-NE 3.1Å; S213-R217 PolarHBondContact O-NH2 2.74Å |
| 214 | S | 94.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 16% | 0.161 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -107.7 | -23 | -172.9 | -52.3 | 0 | 0 | 0 | 0 | 113.6 | G210 V211 G216 R217 A218 | G210-S214 WeakPolarHBondContact O-CB 3.38Å; G210-S214 PolarHBondContact O-N 3.49Å; G210-S214 PolarHBondContact O-OG 2.99Å; V211-S214 PolarHBondContact O-N 3.05Å; S214-G216 VanDerWaalsContact C-N 3.34Å; S214-G216 PolarHBondContact O-N 2.91Å; S214-R217 CarbonylContact O-C 3.55Å; S214-R217 WeakPolarHBondContact O-CA 3.39Å; S214-R217 PolarHBondContact O-N 3.12Å; S214-R217 PolarHBondContact OG-NH2 3.14Å; S214-R217 VanDerWaalsContact OG-NH2 3.16Å; S214-A218 PolarHBondContact O-N 2.95Å |
| 215 | Y | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | -179 | -169.7 | -99.9 | 0 | 0 | 0 | 112.6 | A71 A72 G74 V211 R217 A218 P266 A270 F271 M341 R344 I345 I844 | A71-Y215 PolarHBondContact O-OH 2.66Å; A72-Y215 PolarHBondContact O-OH 2.65Å; G74-Y215 PolarHBondContact N-OH 3.25Å; V211-Y215 WeakPolarHBondContact O-CB 3.43Å; V211-Y215 PolarHBondContact O-N 3.17Å; Y215-R217 PolarHBondContact O-N 2.85Å; Y215-A218 VanDerWaalsContact O-CB 3.24Å; Y215-A218 WeakPolarHBondContact O-CB 3.36Å; Y215-A218 PolarHBondContact O-N 3.24Å; Y215-P266 HydrophobicContact CD1-CB 4Å; Y215-P266 HydrophobicContact CE1-CB 3.66Å; Y215-P266 VanDerWaalsContact O-CG 3.28Å; Y215-P266 WeakPolarHBondContact O-CG 3.33Å; Y215-A270 HydrophobicContact CD1-CB 3.76Å; Y215-A270 HydrophobicContact CE1-CB 3.39Å; Y215-F271 HydrophobicContact CD1-CE2 4.24Å; Y215-F271 HydrophobicContact CG-CE2 4.36Å; Y215-M341 HydrophobicContact CD1-CE 4.1Å; Y215-M341 HydrophobicContact CD2-CB 3.81Å; Y215-M341 HydrophobicContact CD2-CE 3.85Å; Y215-M341 HydrophobicContact CD2-CG 4.31Å; Y215-M341 HydrophobicContact CE1-CE 4.21Å; Y215-M341 HydrophobicContact CE2-CB 3.7Å; Y215-M341 HydrophobicContact CE2-CE 3.96Å; Y215-M341 HydrophobicContact CE2-CG 3.86Å; Y215-M341 HydrophobicContact CG-CE 3.92Å; Y215-R344 HydrophobicContact CE2-CB 4.37Å; Y215-I345 HydrophobicContact CD2-CD1 4.38Å; Y215-I345 HydrophobicContact CD2-CG1 4.26Å; Y215-I844 HydrophobicContact CD1-CD1 3.71Å; Y215-I844 HydrophobicContact CE1-CD1 4.42Å |
| 216 | G | 93.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S214 G847 | S214-G216 VanDerWaalsContact C-N 3.34Å; S214-G216 PolarHBondContact O-N 2.91Å; G216-G847 PolarHBondContact O-N 3.29Å |
| 217 | R | 93.5 | Very high | 91.3 | Very high | 136 Ų | 136 | 40.1 Ų | 40.1 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -1.7 | 174.7 | -74.7 | 179.7 | -71.3 | 126.5 | -1.7 | 113 | S213 S214 Y215 I219 | S213-R217 PolarHBondContact O-NE 2.88Å; S213-R217 VanDerWaalsContact O-NE 3.1Å; S213-R217 PolarHBondContact O-NH2 2.74Å; S214-R217 CarbonylContact O-C 3.55Å; S214-R217 WeakPolarHBondContact O-CA 3.39Å; S214-R217 PolarHBondContact O-N 3.12Å; S214-R217 PolarHBondContact OG-NH2 3.14Å; S214-R217 VanDerWaalsContact OG-NH2 3.16Å; Y215-R217 PolarHBondContact O-N 2.85Å; R217-I219 PolarHBondContact O-N 3.45Å |
| 218 | A | 94.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | trans | -81.7 | 68.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S214 Y215 R344 I345 | S214-A218 PolarHBondContact O-N 2.95Å; Y215-A218 VanDerWaalsContact O-CB 3.24Å; Y215-A218 WeakPolarHBondContact O-CB 3.36Å; Y215-A218 PolarHBondContact O-N 3.24Å; A218-R344 HydrophobicContact CB-CG 3.83Å; A218-R344 PolarHBondContact O-NE 2.86Å; A218-R344 PolarHBondContact O-NH2 2.92Å; A218-I345 HydrophobicContact CB-CB 4.5Å; A218-I345 HydrophobicContact CB-CG1 4.06Å | ||
| 219 | I | 94.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | trans | -116 | 137.3 | -177.9 | -54.1 | 164.5 | 0 | 0 | 0 | 108.2 | R217 L248 L265 I846 L849 P850 | R217-I219 PolarHBondContact O-N 3.45Å; I219-L248 HydrophobicContact CD1-CD2 3.97Å; I219-L265 HydrophobicContact CD1-CD2 3.67Å; I219-L265 HydrophobicContact CG1-CD2 3.87Å; I219-L265 HydrophobicContact CG2-CD2 3.94Å; I219-I846 HydrophobicContact CD1-CG2 3.87Å; I219-L849 HydrophobicContact CG2-CD1 3.66Å; I219-P850 HydrophobicContact CB-CG 4.5Å; I219-P850 WeakPolarHBondContact O-CG 3.33Å | ||
| 220 | A | 93.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 134.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P348 G352 | A220-P348 WeakPolarHBondContact CB-O 3.13Å; A220-G352 WeakPolarHBondContact CB-O 3.08Å |
| 221 | P | 91 | Very high | 90 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 33% | 0.331 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 139.3 | 177.2 | 27.9 | -33.8 | 0 | 0 | 0 | 111.4 | D349 P850 | P221-D349 HydrophobicContact CG-CB 4.44Å; P221-P850 CarbonylContact C-O 3.52Å; P221-P850 WeakPolarHBondContact CA-O 3.49Å; P221-P850 HydrophobicContact CB-CB 4.24Å; P221-P850 HydrophobicContact CB-CG 4.36Å |
| 222 | I | 90 | Very high | 89.8 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.4 | 172.8 | -67.2 | -171.8 | 0 | 0 | 0 | 108.9 | D229 L232 I233 L849 P850 V851 H852 | I222-D229 HydrophobicContact CG2-CB 3.6Å; I222-L232 HydrophobicContact CD1-CD2 3.73Å; I222-L232 HydrophobicContact CD1-CG 4.46Å; I222-I233 HydrophobicContact CD1-CD1 3.83Å; I222-I233 HydrophobicContact CD1-CG1 4.48Å; I222-I233 HydrophobicContact CG2-CD1 4.28Å; I222-I233 HydrophobicContact CG2-CG1 4.13Å; I222-L849 HydrophobicContact CD1-CD1 3.86Å; I222-L849 HydrophobicContact CD1-CD2 3.29Å; I222-L849 HydrophobicContact CD1-CG 3.59Å; I222-L849 HydrophobicContact CG1-CD1 4.1Å; I222-L849 HydrophobicContact CG1-CD2 4.35Å; I222-L849 HydrophobicContact CG1-CG 4.15Å; I222-P850 PolarHBondContact N-O 3.45Å; I222-V851 HydrophobicContact CB-CG2 4.34Å; I222-H852 PolarHBondContact O-N 3.46Å |
| 223 | N | 86.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 39.4 Ų | 39.4 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 107 | 175.5 | -177.2 | 3.6 | 0 | 0 | 0 | 110.2 | S225 S226 D229 | N223-S225 VanDerWaalsContact CG-OG 3.26Å; N223-S225 PolarHBondContact ND2-OG 2.87Å; N223-S225 PolarHBondContact O-N 3.33Å; N223-S225 WeakPolarHBondContact OD1-CB 3.39Å; N223-S225 PolarHBondContact OD1-N 2.91Å; N223-S225 VanDerWaalsContact OD1-N 3.1Å; N223-S225 PolarHBondContact OD1-OG 3.39Å; N223-S226 PolarHBondContact O-N 3.25Å; N223-D229 PolarHBondContact N-OD2 3.44Å; N223-D229 WeakPolarHBondContact O-CB 3.48Å |
| 224 | I | 85.3 | Confident | 89.7 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.2 | -177.5 | -53.2 | -163.7 | 0 | 0 | 0 | 112.7 | S226 V851 I853 I859 L864 L868 | I224-S226 PolarHBondContact O-N 3.17Å; I224-V851 HydrophobicContact CD1-CG1 3.43Å; I224-V851 VanDerWaalsContact CD1-CG1 3.43Å; I224-V851 HydrophobicContact CG1-CG1 3.46Å; I224-V851 VanDerWaalsContact CG1-CG1 3.46Å; I224-I853 HydrophobicContact CD1-CD1 3.56Å; I224-I853 HydrophobicContact CD1-CG1 3.5Å; I224-I853 HydrophobicContact CG1-CG1 4.23Å; I224-I859 HydrophobicContact CD1-CD1 4.38Å; I224-L864 HydrophobicContact CG2-CD2 3.57Å; I224-L864 HydrophobicContact CG2-CG 4.38Å; I224-L868 HydrophobicContact CD1-CD1 3.59Å; I224-L868 HydrophobicContact CD1-CD2 3.74Å; I224-L868 HydrophobicContact CD1-CG 4.25Å |
| 225 | S | 82.7 | Confident | 89.6 | Confident | 98 Ų | 98 | 38 Ų | 38 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.1 | 175.8 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | N223 | N223-S225 VanDerWaalsContact CG-OG 3.26Å; N223-S225 PolarHBondContact ND2-OG 2.87Å; N223-S225 PolarHBondContact O-N 3.33Å; N223-S225 WeakPolarHBondContact OD1-CB 3.39Å; N223-S225 PolarHBondContact OD1-N 2.91Å; N223-S225 VanDerWaalsContact OD1-N 3.1Å; N223-S225 PolarHBondContact OD1-OG 3.39Å |
| 226 | S | 83 | Confident | 89.5 | Confident | 43 Ų | 43 | 38 Ų | 38 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -88.7 | 130.2 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | N223 I224 T228 D229 S230 | N223-S226 PolarHBondContact O-N 3.25Å; I224-S226 PolarHBondContact O-N 3.17Å; S226-T228 PolarHBondContact O-N 3.34Å; S226-T228 PolarHBondContact OG-OG1 3.42Å; S226-D229 WeakPolarHBondContact O-CB 3.39Å; S226-D229 PolarHBondContact O-N 3.21Å; S226-S230 PolarHBondContact O-N 2.98Å; S226-S230 PolarHBondContact O-OG 2.81Å |
| 227 | S | 82.4 | Confident | 89.4 | Confident | 84 Ų | 84 | 38 Ų | 38 | 59% | 0.587 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.1 | -38.6 | 178.9 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | D229 S230 D231 | S227-D229 PolarHBondContact O-N 3.46Å; S227-S230 WeakPolarHBondContact CA-OG 3.48Å; S227-S230 PolarHBondContact O-N 2.65Å; S227-S230 PolarHBondContact O-OG 3.07Å; S227-D231 WeakPolarHBondContact O-CB 3.34Å; S227-D231 PolarHBondContact O-N 2.95Å |
| 228 | T | 84.7 | Confident | 89.4 | Confident | 81 Ų | 81 | 35.8 Ų | 35.8 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -34.9 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | S226 L232 | S226-T228 PolarHBondContact O-N 3.34Å; S226-T228 PolarHBondContact OG-OG1 3.42Å; T228-L232 PolarHBondContact O-N 3.34Å; T228-L232 VanDerWaalsContact O-N 3.16Å |
| 229 | D | 87 | Confident | 89.2 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -82.9 | -38.2 | -175.9 | -82.4 | 24.5 | 0 | 0 | 0 | 110.6 | I222 N223 S226 S227 D231 L232 I233 K354 | I222-D229 HydrophobicContact CG2-CB 3.6Å; N223-D229 PolarHBondContact N-OD2 3.44Å; N223-D229 WeakPolarHBondContact O-CB 3.48Å; S226-D229 WeakPolarHBondContact O-CB 3.39Å; S226-D229 PolarHBondContact O-N 3.21Å; S227-D229 PolarHBondContact O-N 3.46Å; D229-D231 VanDerWaalsContact C-N 3.33Å; D229-L232 WeakPolarHBondContact O-CB 3.32Å; D229-L232 PolarHBondContact O-N 3.43Å; D229-I233 WeakPolarHBondContact O-CG1 3.22Å; D229-I233 PolarHBondContact O-N 3.44Å; D229-I233 VanDerWaalsContact O-N 3.15Å; D229-K354 VanDerWaalsContact CG-NZ 3.33Å; D229-K354 IonicContact OD1-NZ 2.68Å; D229-K354 PolarHBondContact OD1-NZ 3.4Å; D229-K354 IonicContact OD2-NZ 3.7Å |
| 230 | S | 86.4 | Confident | 89.1 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 170.5 | 57.5 | 0 | 0 | 0 | 0 | 112 | S226 S227 L232 I233 I234 | S226-S230 PolarHBondContact O-N 2.98Å; S226-S230 PolarHBondContact O-OG 2.81Å; S227-S230 WeakPolarHBondContact CA-OG 3.48Å; S227-S230 PolarHBondContact O-N 2.65Å; S227-S230 PolarHBondContact O-OG 3.07Å; S230-L232 VanDerWaalsContact C-N 3.35Å; S230-I233 PolarHBondContact O-N 3.13Å; S230-I234 WeakPolarHBondContact O-CG1 3.17Å; S230-I234 PolarHBondContact O-N 2.94Å; S230-I234 VanDerWaalsContact O-N 3.1Å |
| 231 | D | 89.6 | Confident | 89 | Confident | 94 Ų | 94 | 41 Ų | 41 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.5 | -39.8 | 178.3 | -68.1 | -18 | 0 | 0 | 0 | 111.1 | S227 D229 I233 I234 S235 | S227-D231 WeakPolarHBondContact O-CB 3.34Å; S227-D231 PolarHBondContact O-N 2.95Å; D229-D231 VanDerWaalsContact C-N 3.33Å; D231-I233 PolarHBondContact O-N 3.44Å; D231-I234 PolarHBondContact O-N 3.29Å; D231-S235 PolarHBondContact O-N 3.32Å; D231-S235 PolarHBondContact O-OG 2.89Å |
| 232 | L | 90.7 | Very high | 88.9 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 174.1 | 178.2 | 63.1 | 0 | 0 | 0 | 111.9 | I222 T228 D229 S230 I234 S235 L236 V257 P258 L261 K354 | I222-L232 HydrophobicContact CD1-CD2 3.73Å; I222-L232 HydrophobicContact CD1-CG 4.46Å; T228-L232 PolarHBondContact O-N 3.34Å; T228-L232 VanDerWaalsContact O-N 3.16Å; D229-L232 WeakPolarHBondContact O-CB 3.32Å; D229-L232 PolarHBondContact O-N 3.43Å; S230-L232 VanDerWaalsContact C-N 3.35Å; L232-I234 VanDerWaalsContact C-N 3.33Å; L232-I234 PolarHBondContact O-N 3.35Å; L232-S235 PolarHBondContact O-N 2.89Å; L232-L236 HydrophobicContact CD1-CD1 4.44Å; L232-L236 HydrophobicContact CD1-CG 4.4Å; L232-L236 HydrophobicContact CG-CD1 4.2Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.34Å; L232-L236 PolarHBondContact O-N 3.29Å; L232-V257 HydrophobicContact CD1-CG1 3.9Å; L232-P258 HydrophobicContact CD1-CB 4.45Å; L232-P258 HydrophobicContact CD1-CG 4.02Å; L232-L261 HydrophobicContact CD1-CB 4.26Å; L232-L261 HydrophobicContact CD1-CD2 4.07Å; L232-L261 HydrophobicContact CD2-CB 4.45Å; L232-L261 HydrophobicContact CD2-CD1 4.36Å; L232-L261 HydrophobicContact CD2-CD2 4.38Å; L232-K354 HydrophobicContact CD2-CD 4.41Å |
| 233 | I | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.8 | -67.2 | -63.8 | 0 | 0 | 0 | 111.3 | I222 D229 S230 D231 L236 A237 V851 L864 A867 L868 L871 I877 | I222-I233 HydrophobicContact CD1-CD1 3.83Å; I222-I233 HydrophobicContact CD1-CG1 4.48Å; I222-I233 HydrophobicContact CG2-CD1 4.28Å; I222-I233 HydrophobicContact CG2-CG1 4.13Å; D229-I233 WeakPolarHBondContact O-CG1 3.22Å; D229-I233 PolarHBondContact O-N 3.44Å; D229-I233 VanDerWaalsContact O-N 3.15Å; S230-I233 PolarHBondContact O-N 3.13Å; D231-I233 PolarHBondContact O-N 3.44Å; I233-L236 PolarHBondContact O-N 3.31Å; I233-A237 PolarHBondContact O-N 3.01Å; I233-A237 VanDerWaalsContact O-N 3.1Å; I233-V851 HydrophobicContact CD1-CG2 3.94Å; I233-L864 HydrophobicContact CB-CD1 4.02Å; I233-L864 HydrophobicContact CG2-CD1 3.8Å; I233-A867 HydrophobicContact CG2-CB 4.05Å; I233-L868 HydrophobicContact CG2-CD2 3.79Å; I233-L868 HydrophobicContact CG2-CG 4.04Å; I233-L871 HydrophobicContact CD1-CD1 4.49Å; I233-L871 HydrophobicContact CG2-CD1 3.98Å; I233-I877 HydrophobicContact CD1-CG2 4.5Å |
| 234 | I | 91.8 | Very high | 88.9 | Confident | 25 Ų | 25 | 50 Ų | 50 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.2 | -66.3 | 166.5 | 0 | 0 | 0 | 110.6 | S230 D231 L232 L236 A237 N238 T863 L864 A867 | S230-I234 WeakPolarHBondContact O-CG1 3.17Å; S230-I234 PolarHBondContact O-N 2.94Å; S230-I234 VanDerWaalsContact O-N 3.1Å; D231-I234 PolarHBondContact O-N 3.29Å; L232-I234 VanDerWaalsContact C-N 3.33Å; L232-I234 PolarHBondContact O-N 3.35Å; I234-L236 PolarHBondContact O-N 3.41Å; I234-A237 PolarHBondContact O-N 3.47Å; I234-N238 VanDerWaalsContact O-CG 3.29Å; I234-N238 PolarHBondContact O-N 3Å; I234-N238 PolarHBondContact O-ND2 3.46Å; I234-T863 HydrophobicContact CD1-CG2 4.46Å; I234-T863 HydrophobicContact CG1-CG2 4.46Å; I234-T863 HydrophobicContact CG2-CG2 4.21Å; I234-L864 HydrophobicContact CD1-CB 4.35Å; I234-L864 HydrophobicContact CD1-CD1 4.42Å; I234-L864 HydrophobicContact CG1-CB 4.47Å; I234-L864 HydrophobicContact CG1-CD1 4.07Å; I234-A867 HydrophobicContact CG1-CB 4.38Å |
| 235 | S | 92.3 | Very high | 89 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.8 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | D231 L232 A237 N238 V239 | D231-S235 PolarHBondContact O-N 3.32Å; D231-S235 PolarHBondContact O-OG 2.89Å; L232-S235 PolarHBondContact O-N 2.89Å; S235-A237 PolarHBondContact O-N 2.9Å; S235-N238 PolarHBondContact O-N 2.87Å; S235-V239 WeakPolarHBondContact O-CG2 3.41Å; S235-V239 PolarHBondContact O-N 3.26Å |
| 236 | L | 93.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.5 | -70.2 | 169.3 | 0 | 0 | 0 | 111.6 | L232 I233 I234 V239 L240 L251 V257 L261 L849 L871 | L232-L236 HydrophobicContact CD1-CD1 4.44Å; L232-L236 HydrophobicContact CD1-CG 4.4Å; L232-L236 HydrophobicContact CG-CD1 4.2Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.34Å; L232-L236 PolarHBondContact O-N 3.29Å; I233-L236 PolarHBondContact O-N 3.31Å; I234-L236 PolarHBondContact O-N 3.41Å; L236-V239 PolarHBondContact O-N 3.49Å; L236-L240 WeakPolarHBondContact O-CB 3.3Å; L236-L240 PolarHBondContact O-N 3.4Å; L236-L251 HydrophobicContact CB-CD2 3.92Å; L236-L251 HydrophobicContact CD2-CB 4.4Å; L236-L251 HydrophobicContact CD2-CD2 3.68Å; L236-L251 HydrophobicContact CD2-CG 3.68Å; L236-L251 HydrophobicContact CG-CD2 4.36Å; L236-V257 HydrophobicContact CD2-CG1 3.74Å; L236-V257 HydrophobicContact CD2-CG2 3.9Å; L236-V257 HydrophobicContact CG-CG1 4.47Å; L236-L261 HydrophobicContact CD1-CD2 3.97Å; L236-L261 HydrophobicContact CD2-CD2 3.79Å; L236-L261 HydrophobicContact CG-CD2 4.38Å; L236-L849 HydrophobicContact CD1-CD2 3.71Å; L236-L871 HydrophobicContact CB-CD1 3.99Å; L236-L871 HydrophobicContact CB-CD2 4.08Å |
| 237 | A | 92.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I233 I234 S235 L240 N241 A867 L871 | I233-A237 PolarHBondContact O-N 3.01Å; I233-A237 VanDerWaalsContact O-N 3.1Å; I234-A237 PolarHBondContact O-N 3.47Å; S235-A237 PolarHBondContact O-N 2.9Å; A237-L240 PolarHBondContact O-N 2.97Å; A237-N241 PolarHBondContact O-N 3.07Å; A237-N241 PolarHBondContact O-ND2 2.94Å; A237-A867 HydrophobicContact CB-CB 3.46Å; A237-A867 VanDerWaalsContact CB-CB 3.46Å; A237-L871 HydrophobicContact CB-CD1 4.28Å; A237-L871 HydrophobicContact CB-CG 4.23Å |
| 238 | N | 92.5 | Very high | 89.7 | Confident | 89 Ų | 89 | 49.9 Ų | 49.9 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.2 | -73.8 | -21.3 | 0 | 0 | 0 | 111.8 | I234 S235 N241 T242 | I234-N238 VanDerWaalsContact O-CG 3.29Å; I234-N238 PolarHBondContact O-N 3Å; I234-N238 PolarHBondContact O-ND2 3.46Å; S235-N238 PolarHBondContact O-N 2.87Å; N238-N241 PolarHBondContact O-N 3.18Å; N238-T242 PolarHBondContact O-N 2.67Å; N238-T242 PolarHBondContact O-OG1 3.13Å |
| 239 | V | 92.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | S235 L236 N241 T242 T243 Y245 L251 S254 D256 V257 | S235-V239 WeakPolarHBondContact O-CG2 3.41Å; S235-V239 PolarHBondContact O-N 3.26Å; L236-V239 PolarHBondContact O-N 3.49Å; V239-N241 PolarHBondContact O-N 3.49Å; V239-T242 PolarHBondContact O-N 3.35Å; V239-T242 VanDerWaalsContact O-N 3.11Å; V239-T242 PolarHBondContact O-OG1 3.19Å; V239-T242 VanDerWaalsContact O-OG1 3.07Å; V239-T243 HydrophobicContact CG1-CG2 4.01Å; V239-T243 WeakPolarHBondContact O-CB 3.4Å; V239-T243 WeakPolarHBondContact O-CG2 3.46Å; V239-T243 PolarHBondContact O-N 2.9Å; V239-T243 PolarHBondContact O-OG1 3.41Å; V239-Y245 HydrophobicContact CG1-CD2 4.05Å; V239-Y245 HydrophobicContact CG1-CE2 3.99Å; V239-L251 HydrophobicContact CB-CD1 3.78Å; V239-L251 HydrophobicContact CG1-CD1 3.53Å; V239-S254 WeakPolarHBondContact CG1-OG 3.4Å; V239-D256 HydrophobicContact CG2-CB 3.67Å; V239-V257 HydrophobicContact CB-CG2 4.5Å; V239-V257 HydrophobicContact CG2-CG2 3.93Å |
| 240 | L | 92.4 | Very high | 90 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -34.3 | 177.2 | -175 | 65.8 | 0 | 0 | 0 | 112 | L236 A237 T242 Y245 L251 T870 L871 H874 L876 | L236-L240 WeakPolarHBondContact O-CB 3.3Å; L236-L240 PolarHBondContact O-N 3.4Å; A237-L240 PolarHBondContact O-N 2.97Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 2.92Å; L240-Y245 WeakPolarHBondContact CD1-O 3.23Å; L240-L251 HydrophobicContact CB-CD1 4.19Å; L240-T870 HydrophobicContact CD2-CG2 4.16Å; L240-L871 HydrophobicContact CD2-CD2 3.95Å; L240-H874 HydrophobicContact CD2-CB 4.14Å; L240-L876 HydrophobicContact CD1-CD1 3.81Å; L240-L876 HydrophobicContact CD2-CD1 3.66Å; L240-L876 HydrophobicContact CG-CD1 4.36Å |
| 241 | N | 90 | Very high | 90.2 | Very high | 112 Ų | 112 | 49.9 Ų | 49.9 | 60% | 0.599 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -72.8 | -21.4 | 176.6 | -73.6 | -23.1 | 0 | 0 | 0 | 113.5 | A237 N238 V239 | A237-N241 PolarHBondContact O-N 3.07Å; A237-N241 PolarHBondContact O-ND2 2.94Å; N238-N241 PolarHBondContact O-N 3.18Å; V239-N241 PolarHBondContact O-N 3.49Å |
| 242 | T | 90.1 | Very high | 90.2 | Very high | 110 Ų | 110 | 45.5 Ų | 45.5 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -102.4 | -10.2 | -178.9 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | N238 V239 L240 | N238-T242 PolarHBondContact O-N 2.67Å; N238-T242 PolarHBondContact O-OG1 3.13Å; V239-T242 PolarHBondContact O-N 3.35Å; V239-T242 VanDerWaalsContact O-N 3.11Å; V239-T242 PolarHBondContact O-OG1 3.19Å; V239-T242 VanDerWaalsContact O-OG1 3.07Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 2.92Å |
| 243 | T | 89.1 | Confident | 90.1 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -131.7 | 155.5 | -173.9 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | V239 Y245 | V239-T243 HydrophobicContact CG1-CG2 4.01Å; V239-T243 WeakPolarHBondContact O-CB 3.4Å; V239-T243 WeakPolarHBondContact O-CG2 3.46Å; V239-T243 PolarHBondContact O-N 2.9Å; V239-T243 PolarHBondContact O-OG1 3.41Å; T243-Y245 HydrophobicContact CG2-CD2 4.13Å; T243-Y245 HydrophobicContact CG2-CE2 3.75Å; T243-Y245 PolarHBondContact O-N 3.37Å; T243-Y245 WeakPolarHBondContact OG1-CD2 3.36Å |
| 244 | N | 87.1 | Confident | 90.1 | Very high | 165 Ų | 165 | 48.5 Ų | 48.5 | 88% | 0.882 | 27% | 0.273 | S | S | * | . | trans | -90.4 | 33.4 | 174.5 | -71 | -24.6 | 0 | 0 | 0 | 112.1 | ||||
| 245 | Y | 87.3 | Confident | 89.9 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | trans | -70.5 | 134.2 | -179.9 | -64.6 | -31.2 | 0 | 0 | 0 | 111 | V239 L240 T243 Q250 L251 | V239-Y245 HydrophobicContact CG1-CD2 4.05Å; V239-Y245 HydrophobicContact CG1-CE2 3.99Å; L240-Y245 WeakPolarHBondContact CD1-O 3.23Å; T243-Y245 HydrophobicContact CG2-CD2 4.13Å; T243-Y245 HydrophobicContact CG2-CE2 3.75Å; T243-Y245 PolarHBondContact O-N 3.37Å; T243-Y245 WeakPolarHBondContact OG1-CD2 3.36Å; Y245-Q250 HydrophobicContact CD1-CB 3.81Å; Y245-Q250 HydrophobicContact CD1-CG 4.45Å; Y245-Q250 HydrophobicContact CD2-CB 4.43Å; Y245-Q250 HydrophobicContact CE1-CB 4.41Å; Y245-Q250 HydrophobicContact CG-CB 3.83Å; Y245-L251 HydrophobicContact CD2-CD1 3.98Å | ||
| 246 | T | 83.9 | Confident | 89.7 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | trans | -111.9 | -13.2 | -176.2 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 247 | S | 88.2 | Confident | 89.6 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -122.8 | 150.1 | -177.3 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | T249 Q250 L251 | S247-T249 PolarHBondContact O-N 2.97Å; S247-T249 PolarHBondContact OG-OG1 3.05Å; S247-Q250 PolarHBondContact O-N 3.2Å; S247-Q250 WeakPolarHBondContact OG-CB 3.33Å; S247-Q250 VanDerWaalsContact OG-CD 3.23Å; S247-Q250 WeakPolarHBondContact OG-CG 3.46Å; S247-Q250 PolarHBondContact OG-N 3.44Å; S247-Q250 PolarHBondContact OG-OE1 2.83Å; S247-L251 PolarHBondContact O-N 2.89Å; S247-L251 VanDerWaalsContact O-N 3.15Å |
| 248 | L | 90.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 177.1 | -177.1 | 63.2 | 0 | 0 | 0 | 112 | I219 L251 A252 L265 I846 L849 | I219-L248 HydrophobicContact CD1-CD2 3.97Å; L248-L251 PolarHBondContact O-N 2.91Å; L248-A252 VanDerWaalsContact O-CB 3.25Å; L248-A252 WeakPolarHBondContact O-CB 3.24Å; L248-A252 PolarHBondContact O-N 3.41Å; L248-L265 HydrophobicContact CD2-CD1 4.47Å; L248-L265 HydrophobicContact CD2-CD2 3.88Å; L248-L265 HydrophobicContact CG-CD1 4.24Å; L248-L265 HydrophobicContact CG-CD2 4.49Å; L248-I846 HydrophobicContact CD2-CG2 4.28Å; L248-L849 HydrophobicContact CD1-CB 4.26Å; L248-L849 HydrophobicContact CD1-CD2 4.31Å; L248-L849 HydrophobicContact CD2-CB 3.87Å |
| 249 | T | 88.3 | Confident | 89.2 | Confident | 25 Ų | 25 | 58 Ų | 58 | 15% | 0.153 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 179.5 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | S247 S253 L265 E268 I846 | S247-T249 PolarHBondContact O-N 2.97Å; S247-T249 PolarHBondContact OG-OG1 3.05Å; T249-S253 WeakPolarHBondContact O-CB 3.41Å; T249-S253 PolarHBondContact O-N 2.74Å; T249-S253 VanDerWaalsContact O-N 3.14Å; T249-S253 PolarHBondContact O-OG 2.87Å; T249-L265 HydrophobicContact CG2-CD1 4.11Å; T249-E268 WeakPolarHBondContact CB-OE1 3.4Å; T249-E268 HydrophobicContact CG2-CG 4.32Å; T249-E268 WeakPolarHBondContact CG2-OE1 3.46Å; T249-E268 PolarHBondContact OG1-OE1 3.24Å; T249-I846 HydrophobicContact CG2-CB 3.91Å; T249-I846 HydrophobicContact CG2-CG1 3.45Å; T249-I846 VanDerWaalsContact CG2-CG1 3.45Å; T249-I846 HydrophobicContact CG2-CG2 4.32Å |
| 250 | Q | 89.5 | Confident | 89 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | 171.8 | -73.2 | 172.8 | -36.2 | 0 | 0 | 111.2 | Y245 S247 S253 S254 | Y245-Q250 HydrophobicContact CD1-CB 3.81Å; Y245-Q250 HydrophobicContact CD1-CG 4.45Å; Y245-Q250 HydrophobicContact CD2-CB 4.43Å; Y245-Q250 HydrophobicContact CE1-CB 4.41Å; Y245-Q250 HydrophobicContact CG-CB 3.83Å; S247-Q250 PolarHBondContact O-N 3.2Å; S247-Q250 WeakPolarHBondContact OG-CB 3.33Å; S247-Q250 VanDerWaalsContact OG-CD 3.23Å; S247-Q250 WeakPolarHBondContact OG-CG 3.46Å; S247-Q250 PolarHBondContact OG-N 3.44Å; S247-Q250 PolarHBondContact OG-OE1 2.83Å; Q250-S253 PolarHBondContact O-N 2.81Å; Q250-S253 VanDerWaalsContact O-N 3.13Å; Q250-S254 PolarHBondContact O-N 3.36Å |
| 251 | L | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | -179.6 | -161.3 | 64 | 0 | 0 | 0 | 111.7 | L236 V239 L240 Y245 S247 L248 S253 S254 V257 L871 L876 | L236-L251 HydrophobicContact CB-CD2 3.92Å; L236-L251 HydrophobicContact CD2-CB 4.4Å; L236-L251 HydrophobicContact CD2-CD2 3.68Å; L236-L251 HydrophobicContact CD2-CG 3.68Å; L236-L251 HydrophobicContact CG-CD2 4.36Å; V239-L251 HydrophobicContact CB-CD1 3.78Å; V239-L251 HydrophobicContact CG1-CD1 3.53Å; L240-L251 HydrophobicContact CB-CD1 4.19Å; Y245-L251 HydrophobicContact CD2-CD1 3.98Å; S247-L251 PolarHBondContact O-N 2.89Å; S247-L251 VanDerWaalsContact O-N 3.15Å; L248-L251 PolarHBondContact O-N 2.91Å; L251-S253 PolarHBondContact O-N 2.99Å; L251-S254 VanDerWaalsContact O-CB 3.25Å; L251-S254 WeakPolarHBondContact O-CB 3.31Å; L251-S254 PolarHBondContact O-N 3.13Å; L251-S254 VanDerWaalsContact O-N 3.13Å; L251-V257 WeakPolarHBondContact O-CG2 3.41Å; L251-L871 HydrophobicContact CD2-CD2 4.06Å; L251-L876 HydrophobicContact CD2-CD1 4.13Å |
| 252 | A | 90.4 | Very high | 89 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -18.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L248 S254 L261 K262 L265 | L248-A252 VanDerWaalsContact O-CB 3.25Å; L248-A252 WeakPolarHBondContact O-CB 3.24Å; L248-A252 PolarHBondContact O-N 3.41Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-L261 HydrophobicContact CB-CD2 4.07Å; A252-L261 HydrophobicContact CB-CG 4.13Å; A252-K262 HydrophobicContact CB-CB 4.15Å; A252-L265 HydrophobicContact CB-CD1 3.86Å |
| 253 | S | 88.6 | Confident | 88.9 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.9 | 175.4 | -63.4 | 0 | 0 | 0 | 0 | 113.7 | T249 Q250 L251 K262 | T249-S253 WeakPolarHBondContact O-CB 3.41Å; T249-S253 PolarHBondContact O-N 2.74Å; T249-S253 VanDerWaalsContact O-N 3.14Å; T249-S253 PolarHBondContact O-OG 2.87Å; Q250-S253 PolarHBondContact O-N 2.81Å; Q250-S253 VanDerWaalsContact O-N 3.13Å; L251-S253 PolarHBondContact O-N 2.99Å; S253-K262 WeakPolarHBondContact OG-CE 3.47Å; S253-K262 PolarHBondContact OG-NZ 3.45Å |
| 254 | S | 91.1 | Very high | 89 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -66.7 | 138 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | V239 Q250 L251 A252 D256 V257 | V239-S254 WeakPolarHBondContact CG1-OG 3.4Å; Q250-S254 PolarHBondContact O-N 3.36Å; L251-S254 VanDerWaalsContact O-CB 3.25Å; L251-S254 WeakPolarHBondContact O-CB 3.31Å; L251-S254 PolarHBondContact O-N 3.13Å; L251-S254 VanDerWaalsContact O-N 3.13Å; A252-S254 VanDerWaalsContact C-N 3.34Å; S254-D256 PolarHBondContact O-N 3.34Å; S254-V257 PolarHBondContact O-N 3.2Å; S254-V257 VanDerWaalsContact O-N 3.11Å |
| 255 | P | 87.6 | Confident | 89.4 | Confident | 123 Ų | 123 | 47.7 Ų | 47.7 | 80% | 0.799 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.2 | 176.8 | 26.1 | -35.2 | 0 | 0 | 0 | 113.7 | V257 | P255-V257 VanDerWaalsContact C-N 3.3Š|
| 256 | D | 88.6 | Confident | 89.7 | Confident | 112 Ų | 112 | 43.9 Ų | 43.9 | 60% | 0.599 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.9 | 179.1 | -57.7 | -44.6 | 0 | 0 | 0 | 113.4 | V239 S254 | V239-D256 HydrophobicContact CG2-CB 3.67Å; S254-D256 PolarHBondContact O-N 3.34Å |
| 257 | V | 90.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -105.3 | 135.5 | 178.2 | 178.2 | 0 | 0 | 0 | 0 | 109 | L232 L236 V239 L251 S254 P255 S259 L261 | L232-V257 HydrophobicContact CD1-CG1 3.9Å; L236-V257 HydrophobicContact CD2-CG1 3.74Å; L236-V257 HydrophobicContact CD2-CG2 3.9Å; L236-V257 HydrophobicContact CG-CG1 4.47Å; V239-V257 HydrophobicContact CB-CG2 4.5Å; V239-V257 HydrophobicContact CG2-CG2 3.93Å; L251-V257 WeakPolarHBondContact O-CG2 3.41Å; S254-V257 PolarHBondContact O-N 3.2Å; S254-V257 VanDerWaalsContact O-N 3.11Å; P255-V257 VanDerWaalsContact C-N 3.3Å; V257-S259 PolarHBondContact O-N 2.95Å; V257-S259 VanDerWaalsContact O-N 3.13Å; V257-L261 HydrophobicContact CG1-CD2 4.19Å |
| 258 | P | 88.9 | Confident | 90.2 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | trans | -52.4 | 120.5 | 174.6 | -27.4 | 33.9 | 0 | 0 | 0 | 112.5 | L232 S260 L261 | L232-P258 HydrophobicContact CD1-CB 4.45Å; L232-P258 HydrophobicContact CD1-CG 4.02Å; P258-S260 PolarHBondContact O-N 3.05Å; P258-L261 PolarHBondContact O-N 3.41Å | ||
| 259 | S | 88.1 | Confident | 90.3 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.1 | -23.1 | -179.6 | -53.4 | 0 | 0 | 0 | 0 | 113.6 | V257 L261 K262 C263 C519 | V257-S259 PolarHBondContact O-N 2.95Å; V257-S259 VanDerWaalsContact O-N 3.13Å; S259-L261 PolarHBondContact O-N 2.86Å; S259-K262 WeakPolarHBondContact O-CB 3.47Å; S259-K262 PolarHBondContact O-N 3.49Å; S259-C263 PolarHBondContact O-N 2.9Å; S259-C263 VanDerWaalsContact O-N 3.1Å; S259-C519 VanDerWaalsContact C-SG 3.57Å; S259-C519 PolarHBondContact O-SG 2.84Å |
| 260 | S | 88 | Confident | 90.6 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -31.6 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | P258 S264 | P258-S260 PolarHBondContact O-N 3.05Å; S260-S264 WeakPolarHBondContact O-CB 3.45Å; S260-S264 PolarHBondContact O-N 2.94Å; S260-S264 VanDerWaalsContact O-N 3.09Å |
| 261 | L | 91.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -50.8 | 172.7 | 179.8 | 63.1 | 0 | 0 | 0 | 110.5 | L232 L236 A252 V257 P258 S259 C263 S264 L265 L849 | L232-L261 HydrophobicContact CD1-CB 4.26Å; L232-L261 HydrophobicContact CD1-CD2 4.07Å; L232-L261 HydrophobicContact CD2-CB 4.45Å; L232-L261 HydrophobicContact CD2-CD1 4.36Å; L232-L261 HydrophobicContact CD2-CD2 4.38Å; L236-L261 HydrophobicContact CD1-CD2 3.97Å; L236-L261 HydrophobicContact CD2-CD2 3.79Å; L236-L261 HydrophobicContact CG-CD2 4.38Å; A252-L261 HydrophobicContact CB-CD2 4.07Å; A252-L261 HydrophobicContact CB-CG 4.13Å; V257-L261 HydrophobicContact CG1-CD2 4.19Å; P258-L261 PolarHBondContact O-N 3.41Å; S259-L261 PolarHBondContact O-N 2.86Å; L261-C263 VanDerWaalsContact C-N 3.3Å; L261-C263 PolarHBondContact O-N 3.09Å; L261-S264 WeakPolarHBondContact O-CB 3.44Å; L261-S264 PolarHBondContact O-N 3.38Å; L261-S264 PolarHBondContact O-OG 3.42Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3Å; L261-L849 HydrophobicContact CD1-CD1 3.96Å; L261-L849 HydrophobicContact CD1-CD2 4.4Å; L261-L849 HydrophobicContact CD2-CD2 4.41Å |
| 262 | K | 91.1 | Very high | 91 | Very high | 110 Ų | 110 | 39.6 Ų | 39.6 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.2 | -46.2 | 179.3 | -176.2 | -178.5 | 179.1 | 172.3 | 0 | 112.1 | A252 S253 S259 S264 L265 | A252-K262 HydrophobicContact CB-CB 4.15Å; S253-K262 WeakPolarHBondContact OG-CE 3.47Å; S253-K262 PolarHBondContact OG-NZ 3.45Å; S259-K262 WeakPolarHBondContact O-CB 3.47Å; S259-K262 PolarHBondContact O-N 3.49Å; K262-S264 VanDerWaalsContact C-N 3.27Å; K262-S264 PolarHBondContact O-N 3.21Å; K262-L265 WeakPolarHBondContact O-CB 3.49Å; K262-L265 PolarHBondContact O-N 2.97Å |
| 263 | C | 88.6 | Confident | 91.1 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 45% | 0.446 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73 | -19.4 | -179.9 | -65.3 | 0 | 0 | 0 | 0 | 113.8 | S259 L261 L265 P355 C519 | S259-C263 PolarHBondContact O-N 2.9Å; S259-C263 VanDerWaalsContact O-N 3.1Å; L261-C263 VanDerWaalsContact C-N 3.3Å; L261-C263 PolarHBondContact O-N 3.09Å; C263-L265 VanDerWaalsContact C-N 3.33Å; C263-P355 HydrophobicContact CB-CG 3.96Å; C263-C519 HydrophobicContact CB-CB 3.51Å; C263-C519 WeakPolarHBondContact CB-SG 3.27Å; C263-C519 WeakPolarHBondContact SG-CB 3.32Å; C263-C519 CovalentContact SG-SG 2.01Å; C263-C519 PolarHBondContact SG-SG 3.44Å |
| 264 | S | 91.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -79.2 | -16 | 171.9 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | S260 L261 K262 R344 | S260-S264 WeakPolarHBondContact O-CB 3.45Å; S260-S264 PolarHBondContact O-N 2.94Å; S260-S264 VanDerWaalsContact O-N 3.09Å; L261-S264 WeakPolarHBondContact O-CB 3.44Å; L261-S264 PolarHBondContact O-N 3.38Å; L261-S264 PolarHBondContact O-OG 3.42Å; K262-S264 VanDerWaalsContact C-N 3.27Å; K262-S264 PolarHBondContact O-N 3.21Å; S264-R344 PolarHBondContact O-NH2 3.45Å |
| 265 | L | 93.5 | Very high | 91.3 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -77.1 | 144.1 | 179.9 | -61.4 | 178 | 0 | 0 | 0 | 111.3 | I219 L248 T249 A252 L261 K262 C263 I846 | I219-L265 HydrophobicContact CD1-CD2 3.67Å; I219-L265 HydrophobicContact CG1-CD2 3.87Å; I219-L265 HydrophobicContact CG2-CD2 3.94Å; L248-L265 HydrophobicContact CD2-CD1 4.47Å; L248-L265 HydrophobicContact CD2-CD2 3.88Å; L248-L265 HydrophobicContact CG-CD1 4.24Å; L248-L265 HydrophobicContact CG-CD2 4.49Å; T249-L265 HydrophobicContact CG2-CD1 4.11Å; A252-L265 HydrophobicContact CB-CD1 3.86Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3Å; K262-L265 WeakPolarHBondContact O-CB 3.49Å; K262-L265 PolarHBondContact O-N 2.97Å; C263-L265 VanDerWaalsContact C-N 3.33Å; L265-I846 HydrophobicContact CD2-CG2 4.28Å |
| 266 | P | 94.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 145.1 | 167.9 | -13.9 | 25.6 | 0 | 0 | 0 | 110.7 | Y215 I846 | Y215-P266 HydrophobicContact CD1-CB 4Å; Y215-P266 HydrophobicContact CE1-CB 3.66Å; Y215-P266 VanDerWaalsContact O-CG 3.28Å; Y215-P266 WeakPolarHBondContact O-CG 3.33Å; P266-I846 HydrophobicContact CB-CD1 4.25Å; P266-I846 WeakPolarHBondContact O-CD1 3.49Å |
| 267 | P | 92.4 | Very high | 91.6 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 141.6 | 176.4 | 28.4 | -33.3 | 0 | 0 | 0 | 111.5 | A72 A73 N269 A270 | A72-P267 WeakPolarHBondContact O-CD 3.49Å; A73-P267 VanDerWaalsContact O-CG 3.28Å; A73-P267 WeakPolarHBondContact O-CG 3.28Å; P267-N269 PolarHBondContact O-N 2.9Å; P267-A270 HydrophobicContact CG-CB 4.16Å; P267-A270 VanDerWaalsContact O-CB 3.24Å; P267-A270 WeakPolarHBondContact O-CB 3.37Å; P267-A270 PolarHBondContact O-N 3.42Å; P267-A270 VanDerWaalsContact O-N 3.14Å |
| 268 | E | 91.6 | Very high | 91.6 | Very high | 87 Ų | 87 | 39.5 Ų | 39.5 | 41% | 0.407 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.6 | 179.5 | -66.3 | 179.9 | -178.8 | 0 | 0 | 112.2 | T249 A270 S843 I844 I846 | T249-E268 WeakPolarHBondContact CB-OE1 3.4Å; T249-E268 HydrophobicContact CG2-CG 4.32Å; T249-E268 WeakPolarHBondContact CG2-OE1 3.46Å; T249-E268 PolarHBondContact OG1-OE1 3.24Å; E268-A270 VanDerWaalsContact C-N 3.3Å; E268-A270 PolarHBondContact O-N 2.95Å; E268-S843 CarbonylContact O-C 3.17Å; E268-S843 WeakPolarHBondContact O-CA 3.5Å; E268-I844 WeakPolarHBondContact O-CG1 3.15Å; E268-I844 PolarHBondContact O-N 3.46Å; E268-I846 HydrophobicContact CG-CD1 4.43Å; E268-I846 HydrophobicContact CG-CG1 4.04Å |
| 269 | N | 92.5 | Very high | 91.7 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 26.4 | 177.4 | 62.9 | -1.3 | 0 | 0 | 0 | 113 | P267 F271 V272 R275 D279 | P267-N269 PolarHBondContact O-N 2.9Å; N269-F271 PolarHBondContact O-N 3.04Å; N269-F271 VanDerWaalsContact O-N 3.17Å; N269-V272 HydrophobicContact CB-CB 4.26Å; N269-V272 HydrophobicContact CB-CG2 4.25Å; N269-V272 PolarHBondContact O-N 3.46Å; N269-R275 VanDerWaalsContact ND2-CD 3.31Å; N269-R275 WeakPolarHBondContact ND2-CD 3.46Å; N269-R275 PolarHBondContact O-NE 3.2Å; N269-R275 PolarHBondContact OD1-NE 3.3Å; N269-D279 PolarHBondContact ND2-OD2 3.26Å; N269-D279 VanDerWaalsContact ND2-OD2 3.13Å |
| 270 | A | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | A73 G74 I75 Y215 P267 E268 I844 | A73-A270 WeakPolarHBondContact O-CA 3.37Å; G74-A270 CarbonylContact C-O 3.5Å; G74-A270 WeakPolarHBondContact CA-O 3.33Å; I75-A270 PolarHBondContact N-O 2.92Å; Y215-A270 HydrophobicContact CD1-CB 3.76Å; Y215-A270 HydrophobicContact CE1-CB 3.39Å; P267-A270 HydrophobicContact CG-CB 4.16Å; P267-A270 VanDerWaalsContact O-CB 3.24Å; P267-A270 WeakPolarHBondContact O-CB 3.37Å; P267-A270 PolarHBondContact O-N 3.42Å; P267-A270 VanDerWaalsContact O-N 3.14Å; E268-A270 VanDerWaalsContact C-N 3.3Å; E268-A270 PolarHBondContact O-N 2.95Å; A270-I844 HydrophobicContact CB-CD1 3.98Å |
| 271 | F | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 9.1 | 179.1 | -68.5 | -91.6 | 0 | 0 | 0 | 113.3 | I75 V211 L212 Y215 N269 M341 F841 I844 | I75-F271 HydrophobicContact CD1-CB 4.46Å; I75-F271 WeakPolarHBondContact CD1-O 3.34Å; I75-F271 HydrophobicContact CG2-CD1 4.24Å; V211-F271 HydrophobicContact CG1-CE1 4.33Å; V211-F271 HydrophobicContact CG1-CZ 4.09Å; L212-F271 HydrophobicContact CB-CZ 4.45Å; L212-F271 HydrophobicContact CD1-CD1 4.05Å; L212-F271 HydrophobicContact CD1-CD2 3.76Å; L212-F271 HydrophobicContact CD1-CE1 4.07Å; L212-F271 HydrophobicContact CD1-CE2 3.79Å; L212-F271 HydrophobicContact CD1-CG 3.88Å; L212-F271 HydrophobicContact CD1-CZ 3.93Å; Y215-F271 HydrophobicContact CD1-CE2 4.24Å; Y215-F271 HydrophobicContact CG-CE2 4.36Å; N269-F271 PolarHBondContact O-N 3.04Å; N269-F271 VanDerWaalsContact O-N 3.17Å; F271-M341 HydrophobicContact CD1-CE 4.23Å; F271-M341 HydrophobicContact CD2-CE 4.44Å; F271-M341 HydrophobicContact CE1-CE 3.61Å; F271-M341 HydrophobicContact CE2-CE 3.85Å; F271-M341 HydrophobicContact CZ-CE 3.4Å; F271-F841 HydrophobicContact CB-CB 3.67Å; F271-F841 HydrophobicContact CB-CD1 4.46Å; F271-F841 HydrophobicContact CB-CD2 4.5Å; F271-F841 HydrophobicContact CB-CG 3.97Å; F271-F841 WeakPolarHBondContact O-CB 3.41Å; F271-I844 HydrophobicContact CD2-CG2 3.43Å; F271-I844 VanDerWaalsContact CD2-CG2 3.43Å; F271-I844 HydrophobicContact CE2-CG2 3.72Å |
| 272 | V | 94.2 | Very high | 91.5 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | trans | -99 | 115.4 | 173.6 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | N269 L274 R275 | N269-V272 HydrophobicContact CB-CB 4.26Å; N269-V272 HydrophobicContact CB-CG2 4.25Å; N269-V272 PolarHBondContact O-N 3.46Å; V272-L274 WeakPolarHBondContact CG1-O 3.43Å; V272-R275 HydrophobicContact CB-CG 4.37Å; V272-R275 HydrophobicContact CG1-CG 4.23Å; V272-R275 WeakPolarHBondContact O-CG 3.31Å | ||
| 273 | L | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -67.3 | -58.8 | -176.8 | -173.5 | 76.1 | 0 | 0 | 0 | 112.3 | I75 A76 A79 L82 M282 F834 F837 | I75-L273 HydrophobicContact CG1-CD1 4.49Å; I75-L273 WeakPolarHBondContact O-CD1 3.37Å; A76-L273 WeakPolarHBondContact CA-O 3.28Å; A79-L273 HydrophobicContact CB-CD1 4.03Å; A79-L273 HydrophobicContact CB-CD2 4.4Å; A79-L273 HydrophobicContact CB-CG 4Å; A79-L273 VanDerWaalsContact N-CD1 3.29Å; L82-L273 HydrophobicContact CD1-CD2 3.68Å; L273-M282 WeakPolarHBondContact O-CG 3.45Å; L273-F834 HydrophobicContact CD2-CD1 3.59Å; L273-F834 HydrophobicContact CD2-CE1 4.03Å; L273-F834 HydrophobicContact CD2-CG 4.35Å; L273-F837 HydrophobicContact CB-CB 3.77Å; L273-F837 WeakPolarHBondContact CB-O 3.38Å; L273-F837 HydrophobicContact CD2-CB 4.15Å; L273-F837 HydrophobicContact CG-CB 4.42Å; L273-F837 PolarHBondContact N-O 3.47Å |
| 274 | L | 91.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -100.2 | 111.4 | 175.3 | -66.8 | -179.8 | 0 | 0 | 0 | 109.5 | A79 V272 W284 F287 F834 S838 | A79-L274 HydrophobicContact CB-CD2 4.31Å; V272-L274 WeakPolarHBondContact CG1-O 3.43Å; L274-W284 HydrophobicContact CB-CB 3.74Å; L274-W284 HydrophobicContact CD2-CB 4.45Å; L274-W284 HydrophobicContact CG-CB 4.48Å; L274-F287 HydrophobicContact CD2-CB 4.32Å; L274-F287 HydrophobicContact CD2-CD1 3.8Å; L274-F287 HydrophobicContact CD2-CE1 4.47Å; L274-F287 HydrophobicContact CD2-CG 4.17Å; L274-F834 HydrophobicContact CD1-CD1 3.8Å; L274-F834 HydrophobicContact CD1-CE1 4.35Å; L274-F834 HydrophobicContact CD2-CD1 4.34Å; L274-F834 HydrophobicContact CD2-CE1 4.19Å; L274-F834 HydrophobicContact CG-CD1 4.03Å; L274-F834 HydrophobicContact CG-CE1 4.38Å; L274-S838 WeakPolarHBondContact CB-OG 3.46Å; L274-S838 PolarHBondContact N-OG 2.92Å |
| 275 | R | 91.9 | Very high | 92 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -96.7 | 176.2 | -171.8 | -60.9 | 171.2 | 172.5 | 176.2 | 3.3 | 111.9 | A73 N269 V272 D279 E281 M282 W284 | A73-R275 PolarHBondContact O-NH2 2.84Å; N269-R275 VanDerWaalsContact ND2-CD 3.31Å; N269-R275 WeakPolarHBondContact ND2-CD 3.46Å; N269-R275 PolarHBondContact O-NE 3.2Å; N269-R275 PolarHBondContact OD1-NE 3.3Å; V272-R275 HydrophobicContact CB-CG 4.37Å; V272-R275 HydrophobicContact CG1-CG 4.23Å; V272-R275 WeakPolarHBondContact O-CG 3.31Å; R275-D279 HydrophobicContact CB-CB 3.69Å; R275-D279 VanDerWaalsContact CD-OD1 3.25Å; R275-D279 WeakPolarHBondContact CD-OD1 3.22Å; R275-D279 VanDerWaalsContact CD-OD2 3.28Å; R275-D279 WeakPolarHBondContact CD-OD2 3.4Å; R275-D279 IonicContact NH1-OD1 3.52Å; R275-D279 PolarHBondContact NH1-OD1 2.83Å; R275-D279 IonicContact NH1-OD2 2.84Å; R275-E281 IonicContact CZ-OE2 2.62Å; R275-E281 IonicContact NH1-OE2 3.77Å; R275-E281 PolarHBondContact NH1-OE2 3.04Å; R275-E281 IonicContact NH2-OE2 3.13Å; R275-M282 WeakPolarHBondContact CB-O 3.45Å; R275-M282 PolarHBondContact N-O 3.33Å; R275-W284 VanDerWaalsContact O-CB 3.28Å; R275-W284 WeakPolarHBondContact O-CB 3.48Å; R275-W284 PolarHBondContact O-N 3.15Å |
| 276 | G | 90.9 | Very high | 92 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 49% | 0.485 | 21% | 0.213 | S | C | . | . | trans | -51.3 | 157.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N278 D279 P283 | G276-N278 PolarHBondContact O-N 3.16Å; G276-N278 VanDerWaalsContact O-N 3.08Å; G276-D279 VanDerWaalsContact O-CB 3.28Å; G276-D279 WeakPolarHBondContact O-CB 3.3Å; G276-D279 PolarHBondContact O-N 3.42Å; G276-P283 WeakPolarHBondContact O-CA 3.46Å | ||
| 277 | I | 93 | Very high | 92.1 | Very high | 76 Ų | 76 | 38.8 Ų | 38.8 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.9 | -172.6 | -165.9 | 171.4 | 0 | 0 | 0 | 114.4 | P283 L285 Y536 | I277-P283 VanDerWaalsContact O-CB 3.26Å; I277-P283 WeakPolarHBondContact O-CB 3.4Å; I277-L285 HydrophobicContact CD1-CB 4.45Å; I277-L285 HydrophobicContact CD1-CD2 3.71Å; I277-L285 HydrophobicContact CG1-CB 4.22Å; I277-L285 HydrophobicContact CG1-CD2 4.29Å; I277-Y536 WeakPolarHBondContact CG1-OH 3.4Å; I277-Y536 PolarHBondContact O-OH 2.83Å |
| 278 | N | 90.4 | Very high | 92.2 | Very high | 147 Ų | 147 | 40.5 Ų | 40.5 | 79% | 0.786 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 14.4 | 179.8 | -60.1 | -27.3 | 0 | 0 | 0 | 112.6 | G276 | G276-N278 PolarHBondContact O-N 3.16Å; G276-N278 VanDerWaalsContact O-N 3.08Å |
| 279 | D | 90.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | trans | -62.4 | 132.4 | 176.8 | -170 | -99.1 | 0 | 0 | 0 | 109.8 | N269 R275 G276 E281 M282 P283 | N269-D279 PolarHBondContact ND2-OD2 3.26Å; N269-D279 VanDerWaalsContact ND2-OD2 3.13Å; R275-D279 HydrophobicContact CB-CB 3.69Å; R275-D279 VanDerWaalsContact CD-OD1 3.25Å; R275-D279 WeakPolarHBondContact CD-OD1 3.22Å; R275-D279 VanDerWaalsContact CD-OD2 3.28Å; R275-D279 WeakPolarHBondContact CD-OD2 3.4Å; R275-D279 IonicContact NH1-OD1 3.52Å; R275-D279 PolarHBondContact NH1-OD1 2.83Å; R275-D279 IonicContact NH1-OD2 2.84Å; G276-D279 VanDerWaalsContact O-CB 3.28Å; G276-D279 WeakPolarHBondContact O-CB 3.3Å; G276-D279 PolarHBondContact O-N 3.42Å; D279-E281 PolarHBondContact O-N 2.83Å; D279-E281 PolarHBondContact OD1-N 2.93Å; D279-M282 PolarHBondContact OD1-N 3.43Å; D279-P283 WeakPolarHBondContact O-CD 3.38Å | ||
| 280 | P | 86.1 | Confident | 92.4 | Very high | 103 Ų | 103 | 38.6 Ų | 38.6 | 67% | 0.669 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -73 | -13.2 | -176.2 | 28.7 | -35.4 | 0 | 0 | 0 | 113.6 | H533 | P280-H533 PolarHBondContact O-CD2 3.48Å; P280-H533 PolarHBondContact O-NE2 3.42Å; P280-H533 VanDerWaalsContact O-NE2 3.11Å |
| 281 | E | 84.9 | Confident | 92.4 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -111 | -50.6 | -177.7 | -61.3 | -175.2 | 143.6 | 0 | 0 | 112.2 | A73 R275 D279 Q459 | A73-E281 WeakPolarHBondContact CB-OE2 3.18Å; R275-E281 IonicContact CZ-OE2 2.62Å; R275-E281 IonicContact NH1-OE2 3.77Å; R275-E281 PolarHBondContact NH1-OE2 3.04Å; R275-E281 IonicContact NH2-OE2 3.13Å; D279-E281 PolarHBondContact O-N 2.83Å; D279-E281 PolarHBondContact OD1-N 2.93Å; E281-Q459 PolarHBondContact OE1-NE2 3.26Å |
| 282 | M | 91.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -136.5 | 63.9 | -170.9 | -163.2 | 63.1 | 60.8 | 0 | 0 | 113 | A76 A79 F80 L273 R275 D279 W284 F287 M535 | A76-M282 HydrophobicContact CB-CB 3.91Å; A76-M282 HydrophobicContact CB-CG 4.13Å; A76-M282 WeakPolarHBondContact O-CE 3.16Å; A79-M282 HydrophobicContact CB-SD 4.18Å; F80-M282 HydrophobicContact CD2-CE 4.02Å; F80-M282 HydrophobicContact CE2-CE 3.46Å; F80-M282 VanDerWaalsContact CE2-CE 3.46Å; F80-M282 HydrophobicContact CE2-SD 4.46Å; F80-M282 HydrophobicContact CZ-CE 4.32Å; L273-M282 WeakPolarHBondContact O-CG 3.45Å; R275-M282 WeakPolarHBondContact CB-O 3.45Å; R275-M282 PolarHBondContact N-O 3.33Å; D279-M282 PolarHBondContact OD1-N 3.43Å; M282-W284 PolarHBondContact O-N 3.19Å; M282-F287 HydrophobicContact CE-CD2 4.46Å; M282-F287 HydrophobicContact SD-CB 4.2Å; M282-F287 HydrophobicContact SD-CD2 3.24Å; M282-F287 WeakPolarHBondContact SD-CD2 3.44Å; M282-F287 HydrophobicContact SD-CE2 3.8Å; M282-F287 HydrophobicContact SD-CG 3.89Å; M282-M535 HydrophobicContact CE-CE 4.3Å; M282-M535 HydrophobicContact SD-CE 3.82Å | ||
| 283 | P | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 117 | 177.5 | 28.1 | -32.6 | 0 | 0 | 0 | 110.1 | G276 I277 D279 L285 G286 F287 M535 Y536 | G276-P283 WeakPolarHBondContact O-CA 3.46Å; I277-P283 VanDerWaalsContact O-CB 3.26Å; I277-P283 WeakPolarHBondContact O-CB 3.4Å; D279-P283 WeakPolarHBondContact O-CD 3.38Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.06Å; P283-L285 VanDerWaalsContact O-N 3.13Å; P283-G286 PolarHBondContact O-N 2.98Å; P283-G286 VanDerWaalsContact O-N 3.09Å; P283-F287 PolarHBondContact O-N 3.19Å; P283-M535 HydrophobicContact CG-SD 4.23Å; P283-Y536 HydrophobicContact CB-CE2 4.07Å; P283-Y536 HydrophobicContact CG-CE2 4.1Å |
| 284 | W | 93.4 | Very high | 92.5 | Very high | 110 Ų | 110 | 39.7 Ų | 39.7 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.6 | -41.2 | -169.5 | 74.8 | -93.9 | 0 | 0 | 0 | 113.8 | L274 R275 M282 F287 L288 | L274-W284 HydrophobicContact CB-CB 3.74Å; L274-W284 HydrophobicContact CD2-CB 4.45Å; L274-W284 HydrophobicContact CG-CB 4.48Å; R275-W284 VanDerWaalsContact O-CB 3.28Å; R275-W284 WeakPolarHBondContact O-CB 3.48Å; R275-W284 PolarHBondContact O-N 3.15Å; M282-W284 PolarHBondContact O-N 3.19Å; W284-F287 PolarHBondContact O-N 3.32Å; W284-L288 HydrophobicContact CE3-CD1 3.86Å; W284-L288 HydrophobicContact CZ3-CD1 4.09Å; W284-L288 WeakPolarHBondContact O-CG 3.09Å; W284-L288 PolarHBondContact O-N 3.3Å |
| 285 | L | 94.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.6 | -42.9 | -177.8 | -174.5 | 66.9 | 0 | 0 | 0 | 110.8 | I277 P283 F287 L289 Y536 | I277-L285 HydrophobicContact CD1-CB 4.45Å; I277-L285 HydrophobicContact CD1-CD2 3.71Å; I277-L285 HydrophobicContact CG1-CB 4.22Å; I277-L285 HydrophobicContact CG1-CD2 4.29Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 3.06Å; P283-L285 VanDerWaalsContact O-N 3.13Å; L285-F287 VanDerWaalsContact C-N 3.29Å; L285-F287 PolarHBondContact O-N 3.4Å; L285-L289 HydrophobicContact CD1-CD1 3.46Å; L285-L289 VanDerWaalsContact CD1-CD1 3.46Å; L285-L289 HydrophobicContact CD1-CG 3.97Å; L285-L289 HydrophobicContact CG-CD1 4.08Å; L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 PolarHBondContact O-N 3.41Å; L285-Y536 HydrophobicContact CB-CE1 4.3Å; L285-Y536 HydrophobicContact CD2-CE1 4.45Å; L285-Y536 HydrophobicContact CG-CE1 4.39Å |
| 286 | G | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P283 G290 Q291 M535 Y536 | P283-G286 PolarHBondContact O-N 2.98Å; P283-G286 VanDerWaalsContact O-N 3.09Å; G286-G290 CarbonylContact O-C 3.56Å; G286-G290 WeakPolarHBondContact O-CA 3.43Å; G286-G290 PolarHBondContact O-N 2.9Å; G286-Q291 PolarHBondContact O-N 2.8Å; G286-M535 WeakPolarHBondContact O-CB 3.5Å; G286-Y536 VanDerWaalsContact CA-CE1 3.48Å |
| 287 | F | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -63.2 | -55.1 | 177.8 | -173.3 | -91.7 | 0 | 0 | 0 | 111.6 | A79 F80 N83 L274 M282 P283 W284 L285 L289 Q291 T292 M535 F834 | A79-F287 HydrophobicContact CB-CD1 4.38Å; A79-F287 HydrophobicContact CB-CD2 4.35Å; A79-F287 HydrophobicContact CB-CE1 3.84Å; A79-F287 HydrophobicContact CB-CE2 3.77Å; A79-F287 HydrophobicContact CB-CZ 3.51Å; A79-F287 VanDerWaalsContact O-CZ 3.29Å; A79-F287 WeakPolarHBondContact O-CZ 3.4Å; F80-F287 HydrophobicContact CD1-CE2 4.05Å; F80-F287 HydrophobicContact CD2-CE2 4.18Å; F80-F287 HydrophobicContact CE1-CE2 4.18Å; F80-F287 HydrophobicContact CE2-CE2 4.3Å; F80-F287 HydrophobicContact CG-CE2 4.06Å; F80-F287 HydrophobicContact CZ-CE2 4.28Å; N83-F287 HydrophobicContact CB-CE1 4Å; N83-F287 HydrophobicContact CB-CZ 3.86Å; L274-F287 HydrophobicContact CD2-CB 4.32Å; L274-F287 HydrophobicContact CD2-CD1 3.8Å; L274-F287 HydrophobicContact CD2-CE1 4.47Å; L274-F287 HydrophobicContact CD2-CG 4.17Å; M282-F287 HydrophobicContact CE-CD2 4.46Å; M282-F287 HydrophobicContact SD-CB 4.2Å; M282-F287 HydrophobicContact SD-CD2 3.24Å; M282-F287 WeakPolarHBondContact SD-CD2 3.44Å; M282-F287 HydrophobicContact SD-CE2 3.8Å; M282-F287 HydrophobicContact SD-CG 3.89Å; P283-F287 PolarHBondContact O-N 3.19Å; W284-F287 PolarHBondContact O-N 3.32Å; L285-F287 VanDerWaalsContact C-N 3.29Å; L285-F287 PolarHBondContact O-N 3.4Å; F287-L289 PolarHBondContact O-N 2.94Å; F287-Q291 HydrophobicContact CD2-CB 3.84Å; F287-Q291 HydrophobicContact CD2-CG 3.87Å; F287-Q291 HydrophobicContact CE2-CB 4.19Å; F287-Q291 HydrophobicContact CE2-CG 3.73Å; F287-Q291 HydrophobicContact CG-CB 4.27Å; F287-Q291 HydrophobicContact CZ-CG 4.39Å; F287-Q291 WeakPolarHBondContact O-CA 3.35Å; F287-Q291 VanDerWaalsContact O-CB 3.24Å; F287-Q291 WeakPolarHBondContact O-CB 3.46Å; F287-Q291 PolarHBondContact O-N 3.2Å; F287-Q291 VanDerWaalsContact O-N 3.09Å; F287-T292 PolarHBondContact O-N 2.98Å; F287-T292 VanDerWaalsContact O-N 3.14Å; F287-T292 PolarHBondContact O-OG1 2.71Å; F287-M535 HydrophobicContact CB-SD 3.96Å; F287-M535 HydrophobicContact CD2-CE 3.93Å; F287-M535 HydrophobicContact CD2-SD 4.2Å; F287-F834 AromaticContact CE1-CE1 3.91Å; F287-F834 HydrophobicContact CE1-CE1 3.91Å; F287-F834 AromaticContact CE1-CZ 3.94Å; F287-F834 HydrophobicContact CE1-CZ 3.94Å |
| 288 | L | 94 | Very high | 93.2 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -64.5 | -45 | -176.4 | -69.6 | -177.6 | 0 | 0 | 0 | 112.8 | W284 T292 | W284-L288 HydrophobicContact CE3-CD1 3.86Å; W284-L288 HydrophobicContact CZ3-CD1 4.09Å; W284-L288 WeakPolarHBondContact O-CG 3.09Å; W284-L288 PolarHBondContact O-N 3.3Å; L288-T292 WeakPolarHBondContact O-CB 3.5Å; L288-T292 PolarHBondContact O-OG1 3.41Å |
| 289 | L | 94.4 | Very high | 93.4 | Very high | 86 Ų | 86 | 28.1 Ų | 28.1 | 45% | 0.45 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -91.6 | -26.2 | -173.4 | -61.3 | -175 | 0 | 0 | 0 | 113.6 | L285 F287 P293 L539 | L285-L289 HydrophobicContact CD1-CD1 3.46Å; L285-L289 VanDerWaalsContact CD1-CD1 3.46Å; L285-L289 HydrophobicContact CD1-CG 3.97Å; L285-L289 HydrophobicContact CG-CD1 4.08Å; L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 PolarHBondContact O-N 3.41Å; F287-L289 PolarHBondContact O-N 2.94Å; L289-P293 WeakPolarHBondContact O-CD 3.28Å; L289-P293 WeakPolarHBondContact O-CG 3.16Å; L289-L539 HydrophobicContact CB-CD1 3.78Å; L289-L539 HydrophobicContact CB-CD2 3.91Å; L289-L539 HydrophobicContact CB-CG 4.35Å; L289-L539 HydrophobicContact CD1-CD2 4.31Å; L289-L539 WeakPolarHBondContact O-CD1 3.3Å |
| 290 | G | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -107.3 | -49.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | G286 T292 P293 A294 M535 | G286-G290 CarbonylContact O-C 3.56Å; G286-G290 WeakPolarHBondContact O-CA 3.43Å; G286-G290 PolarHBondContact O-N 2.9Å; G290-T292 VanDerWaalsContact C-N 3.35Å; G290-T292 PolarHBondContact O-N 3.38Å; G290-P293 VanDerWaalsContact O-CD 3.31Å; G290-P293 WeakPolarHBondContact O-CD 3.47Å; G290-A294 PolarHBondContact O-N 2.94Å; G290-M535 VanDerWaalsContact CA-O 3.3Å; G290-M535 WeakPolarHBondContact CA-O 3.48Å |
| 291 | Q | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -69.4 | -32.2 | 178.3 | -177.5 | 58.2 | 39 | 0 | 0 | 112.3 | F80 G286 F287 A294 S295 Q465 M535 | F80-Q291 HydrophobicContact CD1-CG 4.04Å; F80-Q291 HydrophobicContact CE1-CG 3.57Å; F80-Q291 HydrophobicContact CZ-CG 4.34Å; G286-Q291 PolarHBondContact O-N 2.8Å; F287-Q291 HydrophobicContact CD2-CB 3.84Å; F287-Q291 HydrophobicContact CD2-CG 3.87Å; F287-Q291 HydrophobicContact CE2-CB 4.19Å; F287-Q291 HydrophobicContact CE2-CG 3.73Å; F287-Q291 HydrophobicContact CG-CB 4.27Å; F287-Q291 HydrophobicContact CZ-CG 4.39Å; F287-Q291 WeakPolarHBondContact O-CA 3.35Å; F287-Q291 VanDerWaalsContact O-CB 3.24Å; F287-Q291 WeakPolarHBondContact O-CB 3.46Å; F287-Q291 PolarHBondContact O-N 3.2Å; F287-Q291 VanDerWaalsContact O-N 3.09Å; Q291-A294 PolarHBondContact O-N 3.04Å; Q291-S295 PolarHBondContact NE2-OG 3.4Å; Q291-S295 VanDerWaalsContact NE2-OG 3.13Å; Q291-S295 WeakPolarHBondContact O-CB 3.27Å; Q291-S295 PolarHBondContact O-N 2.69Å; Q291-S295 PolarHBondContact O-OG 2.95Å; Q291-Q465 VanDerWaalsContact NE2-OE1 3.14Å; Q291-M535 HydrophobicContact CB-CG 4.29Å; Q291-M535 HydrophobicContact CB-SD 4.29Å |
| 292 | T | 95.2 | Very high | 94.6 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.1 | -50.6 | 175.9 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | N83 L87 F287 L288 G290 A294 S295 I296 | N83-T292 PolarHBondContact ND2-OG1 2.68Å; L87-T292 HydrophobicContact CD1-CG2 4.45Å; L87-T292 HydrophobicContact CD2-CG2 4.13Å; F287-T292 PolarHBondContact O-N 2.98Å; F287-T292 VanDerWaalsContact O-N 3.14Å; F287-T292 PolarHBondContact O-OG1 2.71Å; L288-T292 WeakPolarHBondContact O-CB 3.5Å; L288-T292 PolarHBondContact O-OG1 3.41Å; G290-T292 VanDerWaalsContact C-N 3.35Å; G290-T292 PolarHBondContact O-N 3.38Å; T292-A294 VanDerWaalsContact C-N 3.34Å; T292-A294 PolarHBondContact O-N 2.77Å; T292-S295 CarbonylContact O-C 3.43Å; T292-S295 WeakPolarHBondContact O-CA 2.98Å; T292-S295 WeakPolarHBondContact O-CB 3.32Å; T292-S295 PolarHBondContact O-N 2.86Å; T292-I296 WeakPolarHBondContact O-CG1 3.48Å; T292-I296 PolarHBondContact O-N 3.11Å |
| 293 | P | 93.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 7% | 0.065 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.5 | -43.5 | 169.9 | -30.6 | 34.5 | 0 | 0 | 0 | 115.3 | L289 G290 S295 I296 W297 A476 F542 | L289-P293 WeakPolarHBondContact O-CD 3.28Å; L289-P293 WeakPolarHBondContact O-CG 3.16Å; G290-P293 VanDerWaalsContact O-CD 3.31Å; G290-P293 WeakPolarHBondContact O-CD 3.47Å; P293-S295 PolarHBondContact O-N 2.63Å; P293-I296 WeakPolarHBondContact O-CB 3.38Å; P293-I296 PolarHBondContact O-N 2.91Å; P293-W297 PolarHBondContact O-N 3.42Å; P293-A476 VanDerWaalsContact O-CB 3.25Å; P293-A476 WeakPolarHBondContact O-CB 3.49Å; P293-F542 HydrophobicContact CB-CB 4.08Å; P293-F542 HydrophobicContact CB-CD1 4.22Å; P293-F542 HydrophobicContact CB-CD2 3.56Å; P293-F542 HydrophobicContact CB-CE2 3.98Å; P293-F542 HydrophobicContact CB-CG 3.69Å; P293-F542 HydrophobicContact CB-CZ 4.49Å; P293-F542 HydrophobicContact CG-CB 4.38Å; P293-F542 HydrophobicContact CG-CD1 3.94Å; P293-F542 HydrophobicContact CG-CD2 4.18Å; P293-F542 HydrophobicContact CG-CE1 4.25Å; P293-F542 HydrophobicContact CG-CE2 4.45Å; P293-F542 HydrophobicContact CG-CG 3.91Å |
| 294 | A | 93.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 4% | 0.041 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -36.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G290 Q291 T292 W297 Y298 A469 P473 | G290-A294 PolarHBondContact O-N 2.94Å; Q291-A294 PolarHBondContact O-N 3.04Å; T292-A294 VanDerWaalsContact C-N 3.34Å; T292-A294 PolarHBondContact O-N 2.77Å; A294-W297 WeakPolarHBondContact O-CB 3.2Å; A294-W297 PolarHBondContact O-N 3.24Å; A294-Y298 PolarHBondContact O-N 3.42Å; A294-A469 HydrophobicContact CB-CB 4.5Å; A294-P473 HydrophobicContact CB-CG 4.16Å |
| 295 | S | 95.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 6% | 0.063 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -76 | -29 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 112 | Q291 T292 P293 W297 Y298 W299 | Q291-S295 PolarHBondContact NE2-OG 3.4Å; Q291-S295 VanDerWaalsContact NE2-OG 3.13Å; Q291-S295 WeakPolarHBondContact O-CB 3.27Å; Q291-S295 PolarHBondContact O-N 2.69Å; Q291-S295 PolarHBondContact O-OG 2.95Å; T292-S295 CarbonylContact O-C 3.43Å; T292-S295 WeakPolarHBondContact O-CA 2.98Å; T292-S295 WeakPolarHBondContact O-CB 3.32Å; T292-S295 PolarHBondContact O-N 2.86Å; P293-S295 PolarHBondContact O-N 2.63Å; S295-W297 VanDerWaalsContact C-N 3.26Å; S295-W297 PolarHBondContact O-N 3.48Å; S295-Y298 PolarHBondContact O-N 3.48Å; S295-W299 PolarHBondContact O-N 3.07Å |
| 296 | I | 96.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 13.3 Ų | 13.3 | 8% | 0.082 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 170.3 | -68.3 | 171.7 | 0 | 0 | 0 | 109.7 | L87 L90 F95 T292 P293 Y298 C300 A476 L480 | L87-I296 HydrophobicContact CD1-CG1 4.41Å; L87-I296 HydrophobicContact CD2-CG1 3.72Å; L90-I296 HydrophobicContact CD2-CD1 4.06Å; L90-I296 HydrophobicContact CD2-CG1 3.87Å; L90-I296 HydrophobicContact CD2-CG2 4.46Å; F95-I296 HydrophobicContact CZ-CG2 3.91Å; T292-I296 WeakPolarHBondContact O-CG1 3.48Å; T292-I296 PolarHBondContact O-N 3.11Å; P293-I296 WeakPolarHBondContact O-CB 3.38Å; P293-I296 PolarHBondContact O-N 2.91Å; I296-Y298 VanDerWaalsContact C-N 3.33Å; I296-Y298 PolarHBondContact O-N 2.61Å; I296-C300 HydrophobicContact CG2-CB 4.18Å; I296-C300 WeakPolarHBondContact O-CA 3.39Å; I296-C300 WeakPolarHBondContact O-CB 3.39Å; I296-C300 PolarHBondContact O-N 3.39Å; I296-A476 HydrophobicContact CB-CB 4.28Å; I296-A476 HydrophobicContact CG2-CB 4.21Å; I296-L480 HydrophobicContact CD1-CD1 3.9Å; I296-L480 HydrophobicContact CG2-CD1 4.26Å; I296-L480 HydrophobicContact CG2-CD2 4.48Å; I296-L480 HydrophobicContact CG2-CG 4.26Å |
| 297 | W | 95.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 13.5 Ų | 13.5 | 3% | 0.034 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -56.9 | -50.8 | 174.3 | 163.3 | 83.3 | 0 | 0 | 0 | 110.9 | L131 P293 A294 S295 T301 D302 A472 A476 | L131-W297 HydrophobicContact CD1-CH2 4.42Å; L131-W297 HydrophobicContact CD1-CZ2 3.7Å; P293-W297 PolarHBondContact O-N 3.42Å; A294-W297 WeakPolarHBondContact O-CB 3.2Å; A294-W297 PolarHBondContact O-N 3.24Å; S295-W297 VanDerWaalsContact C-N 3.26Å; S295-W297 PolarHBondContact O-N 3.48Å; W297-T301 WeakPolarHBondContact CA-OG1 3.4Å; W297-T301 CarbonylContact O-C 3.44Å; W297-T301 VanDerWaalsContact O-C 3.29Å; W297-T301 VanDerWaalsContact O-CA 3.3Å; W297-T301 WeakPolarHBondContact O-CA 3.22Å; W297-T301 WeakPolarHBondContact O-CB 3.38Å; W297-T301 PolarHBondContact O-N 2.87Å; W297-T301 PolarHBondContact O-OG1 3.4Å; W297-D302 PolarHBondContact O-N 2.94Å; W297-A472 HydrophobicContact CB-CB 3.77Å; W297-A472 HydrophobicContact CD2-CB 3.33Å; W297-A472 HydrophobicContact CE3-CB 3.4Å; W297-A472 VanDerWaalsContact CE3-CB 3.4Å; W297-A472 HydrophobicContact CG-CB 3.48Å; W297-A472 VanDerWaalsContact CG-CB 3.48Å; W297-A472 HydrophobicContact CZ3-CB 4.16Å; W297-A476 HydrophobicContact CB-CB 4Å |
| 298 | Y | 94.6 | Very high | 94.4 | Very high | 23 Ų | 23 | 13.6 Ų | 13.6 | 9% | 0.09 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -63.6 | -48.6 | -176.9 | -178 | -114.7 | 0 | 0 | 0 | 113.2 | N57 A294 S295 I296 D302 M305 | N57-Y298 WeakPolarHBondContact OD1-CE1 3.2Å; N57-Y298 VanDerWaalsContact OD1-CZ 3.28Å; N57-Y298 PolarHBondContact OD1-OH 3.13Å; A294-Y298 PolarHBondContact O-N 3.42Å; S295-Y298 PolarHBondContact O-N 3.48Å; I296-Y298 VanDerWaalsContact C-N 3.33Å; I296-Y298 PolarHBondContact O-N 2.61Å; Y298-D302 HydrophobicContact CD2-CB 4.41Å; Y298-D302 WeakPolarHBondContact O-CB 3.15Å; Y298-M305 HydrophobicContact CE1-CE 4.5Å; Y298-M305 HydrophobicContact CE2-CG 4.4Å; Y298-M305 WeakPolarHBondContact O-CG 3.24Å |
| 299 | W | 96 | Very high | 94.4 | Very high | 8 Ų | 8 | 10.3 Ų | 10.3 | 3% | 0.03 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -80.9 | -34.2 | -175 | -69.2 | 106.7 | 0 | 0 | 0 | 113.5 | N57 A84 L87 L88 L91 S295 M305 | N57-W299 HydrophobicContact CB-CH2 3.82Å; N57-W299 HydrophobicContact CB-CZ3 4.43Å; N57-W299 WeakPolarHBondContact ND2-CH2 3.49Å; N57-W299 WeakPolarHBondContact ND2-CZ2 3.39Å; A84-W299 HydrophobicContact CB-CH2 4.23Å; A84-W299 HydrophobicContact CB-CZ2 3.26Å; L87-W299 HydrophobicContact CB-CB 4.05Å; L87-W299 HydrophobicContact CB-CG 3.95Å; L88-W299 HydrophobicContact CD1-CE3 4.19Å; L88-W299 HydrophobicContact CD1-CH2 3.92Å; L88-W299 HydrophobicContact CD1-CZ3 3.66Å; L88-W299 HydrophobicContact CD2-CD2 4.44Å; L88-W299 HydrophobicContact CD2-CE3 3.42Å; L88-W299 VanDerWaalsContact CD2-CE3 3.42Å; L88-W299 HydrophobicContact CD2-CH2 4.46Å; L88-W299 HydrophobicContact CD2-CZ3 3.42Å; L88-W299 VanDerWaalsContact CD2-CZ3 3.42Å; L88-W299 HydrophobicContact CG-CD2 4.1Å; L88-W299 HydrophobicContact CG-CE3 3.48Å; L88-W299 VanDerWaalsContact CG-CE3 3.48Å; L88-W299 HydrophobicContact CG-CH2 4.13Å; L88-W299 HydrophobicContact CG-CZ3 3.47Å; L88-W299 VanDerWaalsContact CG-CZ3 3.47Å; L91-W299 WeakPolarHBondContact CD2-O 3.12Å; S295-W299 PolarHBondContact O-N 3.07Å; W299-M305 HydrophobicContact CE3-CE 3.52Å; W299-M305 HydrophobicContact CH2-CE 3.84Å; W299-M305 HydrophobicContact CZ3-CE 3.07Å |
| 300 | C | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -108.8 | -19.3 | -169.5 | -55.3 | 0 | 0 | 0 | 0 | 113.7 | F95 Y99 I296 V306 | F95-C300 HydrophobicContact CD1-CB 3.53Å; F95-C300 HydrophobicContact CD2-CB 3.89Å; F95-C300 HydrophobicContact CE1-CB 3.54Å; F95-C300 HydrophobicContact CE2-CB 3.91Å; F95-C300 HydrophobicContact CG-CB 3.73Å; F95-C300 HydrophobicContact CZ-CB 3.73Å; Y99-C300 WeakPolarHBondContact CE2-O 3.18Å; Y99-C300 PolarHBondContact OH-O 2.87Å; I296-C300 HydrophobicContact CG2-CB 4.18Å; I296-C300 WeakPolarHBondContact O-CA 3.39Å; I296-C300 WeakPolarHBondContact O-CB 3.39Å; I296-C300 PolarHBondContact O-N 3.39Å; C300-V306 WeakPolarHBondContact O-CG2 3.37Å |
| 301 | T | 95.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 6.4 Ų | 6.4 | 3% | 0.031 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -128.5 | -1.2 | -173.7 | 80.6 | 0 | 0 | 0 | 0 | 114.5 | F95 L107 W297 Y479 | F95-T301 HydrophobicContact CE1-CG2 4.21Å; L107-T301 WeakPolarHBondContact CD1-O 3.25Å; W297-T301 WeakPolarHBondContact CA-OG1 3.4Å; W297-T301 CarbonylContact O-C 3.44Å; W297-T301 VanDerWaalsContact O-C 3.29Å; W297-T301 VanDerWaalsContact O-CA 3.3Å; W297-T301 WeakPolarHBondContact O-CA 3.22Å; W297-T301 WeakPolarHBondContact O-CB 3.38Å; W297-T301 PolarHBondContact O-N 2.87Å; W297-T301 PolarHBondContact O-OG1 3.4Å; T301-Y479 HydrophobicContact CG2-CD1 4.09Å; T301-Y479 HydrophobicContact CG2-CD2 3.72Å; T301-Y479 HydrophobicContact CG2-CE2 4.42Å; T301-Y479 HydrophobicContact CG2-CG 3.53Å |
| 302 | D | 94.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 6.6 Ų | 6.6 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | trans | -82.2 | 125.2 | 171 | -166.5 | -20.8 | 0 | 0 | 0 | 109.3 | Y132 W297 Y298 M304 M305 V306 | Y132-D302 WeakPolarHBondContact CE1-OD1 3.4Å; Y132-D302 PolarHBondContact OH-OD1 3.42Å; W297-D302 PolarHBondContact O-N 2.94Å; Y298-D302 HydrophobicContact CD2-CB 4.41Å; Y298-D302 WeakPolarHBondContact O-CB 3.15Å; D302-M304 PolarHBondContact O-N 3.08Å; D302-M304 PolarHBondContact OD1-N 2.9Å; D302-M305 HydrophobicContact CB-CG 4.45Å; D302-M305 PolarHBondContact O-N 2.8Å; D302-M305 VanDerWaalsContact O-N 3.15Å; D302-V306 PolarHBondContact O-N 3.33Å | ||
| 303 | Q | 93.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 8.3 Ų | 8.3 | 3% | 0.028 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -55.7 | -35.4 | 178.3 | -176.5 | 67.1 | 19.8 | 0 | 0 | 111.1 | F105 L107 M305 Q307 | F105-Q303 PolarHBondContact O-NE2 3.48Å; F105-Q303 VanDerWaalsContact O-NE2 3.14Å; L107-Q303 VanDerWaalsContact N-OE1 3.07Å; Q303-M305 VanDerWaalsContact C-N 3.29Å; Q303-M305 PolarHBondContact O-N 3.27Å; Q303-Q307 WeakPolarHBondContact O-CB 3.19Å; Q303-Q307 PolarHBondContact O-N 3.07Å |
| 304 | M | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | -178.4 | -174.4 | -100.9 | -87.3 | 0 | 0 | 113.4 | Y132 D302 R308 D401 I405 S408 | Y132-M304 PolarHBondContact OH-N 2.98Å; D302-M304 PolarHBondContact O-N 3.08Å; D302-M304 PolarHBondContact OD1-N 2.9Å; M304-R308 WeakPolarHBondContact O-CD 3.46Å; M304-D401 VanDerWaalsContact CE-OD1 3.32Å; M304-D401 WeakPolarHBondContact CE-OD1 3.26Å; M304-I405 HydrophobicContact CE-CG1 4.2Å; M304-S408 WeakPolarHBondContact CA-OG 3.3Å |
| 305 | M | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -85.8 | -47.5 | 178.2 | -57.3 | -52.7 | -85.1 | 0 | 0 | 111.4 | L53 N57 Y298 W299 D302 Q303 Q307 R308 | L53-M305 HydrophobicContact CD2-CE 4.21Å; N57-M305 HydrophobicContact CB-CE 3.93Å; Y298-M305 HydrophobicContact CE1-CE 4.5Å; Y298-M305 HydrophobicContact CE2-CG 4.4Å; Y298-M305 WeakPolarHBondContact O-CG 3.24Å; W299-M305 HydrophobicContact CE3-CE 3.52Å; W299-M305 HydrophobicContact CH2-CE 3.84Å; W299-M305 HydrophobicContact CZ3-CE 3.07Å; D302-M305 HydrophobicContact CB-CG 4.45Å; D302-M305 PolarHBondContact O-N 2.8Å; D302-M305 VanDerWaalsContact O-N 3.15Å; Q303-M305 VanDerWaalsContact C-N 3.29Å; Q303-M305 PolarHBondContact O-N 3.27Å; M305-Q307 PolarHBondContact O-N 3.47Å; M305-R308 PolarHBondContact O-N 2.89Å |
| 306 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | -174.8 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | L91 Y99 L107 C300 D302 R308 V309 L310 | L91-V306 HydrophobicContact CD1-CG2 3.94Å; Y99-V306 HydrophobicContact CD2-CG1 3.72Å; Y99-V306 HydrophobicContact CE2-CG1 4.04Å; Y99-V306 HydrophobicContact CE2-CG2 4.17Å; L107-V306 HydrophobicContact CD1-CB 4.09Å; L107-V306 HydrophobicContact CD1-CG2 3.89Å; L107-V306 HydrophobicContact CD2-CB 4.42Å; L107-V306 HydrophobicContact CD2-CG1 3.98Å; L107-V306 HydrophobicContact CD2-CG2 4.41Å; L107-V306 HydrophobicContact CG-CB 4.41Å; L107-V306 HydrophobicContact CG-CG1 4.37Å; C300-V306 WeakPolarHBondContact O-CG2 3.37Å; D302-V306 PolarHBondContact O-N 3.33Å; V306-R308 PolarHBondContact O-N 3.06Å; V306-V309 PolarHBondContact O-N 3.38Å; V306-V309 VanDerWaalsContact O-N 3.15Å; V306-L310 HydrophobicContact CG1-CD1 3.8Å; V306-L310 HydrophobicContact CG1-CG 4Å; V306-L310 WeakPolarHBondContact O-CG 3.06Å; V306-L310 PolarHBondContact O-N 3.34Å |
| 307 | Q | 91.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 7.9 Ų | 7.9 | 1% | 0.014 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59.4 | -33.5 | -177.7 | -177.5 | 164.4 | -13 | 0 | 0 | 112.9 | F38 L176 Q303 M305 L310 A311 N407 T411 | F38-Q307 PolarHBondContact O-NE2 3.41Å; L176-Q307 HydrophobicContact CD2-CG 4.13Å; Q303-Q307 WeakPolarHBondContact O-CB 3.19Å; Q303-Q307 PolarHBondContact O-N 3.07Å; M305-Q307 PolarHBondContact O-N 3.47Å; Q307-L310 PolarHBondContact O-N 3Å; Q307-A311 PolarHBondContact O-N 3.32Å; Q307-N407 PolarHBondContact NE2-OD1 2.94Å; Q307-T411 PolarHBondContact NE2-OG1 2.88Å |
| 308 | R | 92.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 1% | 0.011 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 178.2 | -68.2 | 170.1 | 169.9 | -96.5 | -24.8 | 111.6 | V49 S52 L53 S56 L180 D183 M304 M305 V306 L310 A311 S404 | V49-R308 WeakPolarHBondContact CG1-O 3.22Å; S52-R308 VanDerWaalsContact C-NH1 3.25Å; S52-R308 VanDerWaalsContact CA-NH1 3.28Å; S52-R308 PolarHBondContact O-NH1 3.29Å; S52-R308 VanDerWaalsContact OG-CD 3.23Å; S52-R308 WeakPolarHBondContact OG-CD 3.43Å; S52-R308 WeakPolarHBondContact OG-CG 2.95Å; S52-R308 VanDerWaalsContact OG-CZ 3.27Å; S52-R308 PolarHBondContact OG-NH1 3.32Å; L53-R308 HydrophobicContact CD2-CB 4.37Å; S56-R308 PolarHBondContact OG-NE 3.19Å; S56-R308 PolarHBondContact OG-NH1 3.22Å; S56-R308 PolarHBondContact OG-NH2 2.74Å; L180-R308 HydrophobicContact CD1-CG 4.39Å; D183-R308 IonicContact OD2-CZ 2.86Å; D183-R308 IonicContact OD2-NH1 3.91Å; D183-R308 PolarHBondContact OD2-NH1 2.92Å; D183-R308 IonicContact OD2-NH2 3.14Å; D183-R308 PolarHBondContact OD2-NH2 3.5Å; M304-R308 WeakPolarHBondContact O-CD 3.46Å; M305-R308 PolarHBondContact O-N 2.89Å; V306-R308 PolarHBondContact O-N 3.06Å; R308-L310 VanDerWaalsContact C-N 3.32Å; R308-L310 PolarHBondContact O-N 2.86Å; R308-A311 WeakPolarHBondContact O-CB 3.25Å; R308-A311 PolarHBondContact O-N 3.18Å; R308-A311 VanDerWaalsContact O-N 3.17Å; R308-S404 VanDerWaalsContact CZ-OG 3.25Å; R308-S404 PolarHBondContact NH2-OG 3.22Å |
| 309 | V | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -68.6 | -34.4 | 179.2 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | L53 L91 L96 V306 A311 A312 A318 T322 | L53-V309 HydrophobicContact CD1-CG2 3.7Å; L53-V309 HydrophobicContact CD2-CG2 3.63Å; L53-V309 HydrophobicContact CG-CG2 3.94Å; L91-V309 HydrophobicContact CD2-CG2 3.79Å; L96-V309 HydrophobicContact CD1-CB 4.15Å; L96-V309 HydrophobicContact CD1-CG1 3.53Å; L96-V309 HydrophobicContact CD2-CG1 3.62Å; L96-V309 HydrophobicContact CG-CG1 4.14Å; V306-V309 PolarHBondContact O-N 3.38Å; V306-V309 VanDerWaalsContact O-N 3.15Å; V309-A311 PolarHBondContact O-N 2.78Å; V309-A312 VanDerWaalsContact O-CB 3.29Å; V309-A312 WeakPolarHBondContact O-CB 3.41Å; V309-A312 PolarHBondContact O-N 3.4Å; V309-A318 HydrophobicContact CG1-CB 3.44Å; V309-A318 VanDerWaalsContact CG1-CB 3.44Å; V309-T322 HydrophobicContact CG1-CG2 4.33Å; V309-T322 HydrophobicContact CG2-CG2 4.42Å |
| 310 | L | 89.7 | Confident | 91.6 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 2% | 0.016 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67.1 | -17.6 | 174.5 | -69.6 | 177 | 0 | 0 | 0 | 113.8 | L39 R42 L96 I100 V306 Q307 R308 A312 | L39-L310 HydrophobicContact CD2-CB 4.25Å; R42-L310 PolarHBondContact NH1-O 3.46Å; L96-L310 HydrophobicContact CD1-CD2 4.05Å; I100-L310 HydrophobicContact CG1-CD2 3.92Å; V306-L310 HydrophobicContact CG1-CD1 3.8Å; V306-L310 HydrophobicContact CG1-CG 4Å; V306-L310 WeakPolarHBondContact O-CG 3.06Å; V306-L310 PolarHBondContact O-N 3.34Å; Q307-L310 PolarHBondContact O-N 3Å; R308-L310 VanDerWaalsContact C-N 3.32Å; R308-L310 PolarHBondContact O-N 2.86Å; L310-A312 VanDerWaalsContact C-N 3.26Å |
| 311 | A | 86.3 | Confident | 91.5 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L39 A40 R42 M44 L176 L180 Q307 R308 V309 | L39-A311 WeakPolarHBondContact O-CB 3.31Å; A40-A311 HydrophobicContact CB-CB 4.34Å; R42-A311 CarbonylContact C-O 3.57Å; R42-A311 VanDerWaalsContact CA-O 3.3Å; R42-A311 WeakPolarHBondContact CA-O 3.18Å; M44-A311 WeakPolarHBondContact CB-O 3.28Å; M44-A311 HydrophobicContact CG-CB 4.46Å; M44-A311 PolarHBondContact N-O 3Å; L176-A311 HydrophobicContact CD2-CB 3.95Å; L180-A311 HydrophobicContact CD2-CB 4.07Å; Q307-A311 PolarHBondContact O-N 3.32Å; R308-A311 WeakPolarHBondContact O-CB 3.25Å; R308-A311 PolarHBondContact O-N 3.18Å; R308-A311 VanDerWaalsContact O-N 3.17Å; V309-A311 PolarHBondContact O-N 2.78Å |
| 312 | A | 87.2 | Confident | 91.6 | Very high | 6 Ų | 6 | 6.4 Ų | 6.4 | 5% | 0.05 | 3% | 0.033 | C | C | . | . | B | Isolated β-bridge | trans | -67 | 151 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M44 V49 V309 L310 H317 A318 | M44-A312 WeakPolarHBondContact O-CA 3.3Å; V49-A312 HydrophobicContact CG2-CB 4.18Å; V309-A312 VanDerWaalsContact O-CB 3.29Å; V309-A312 WeakPolarHBondContact O-CB 3.41Å; V309-A312 PolarHBondContact O-N 3.4Å; L310-A312 VanDerWaalsContact C-N 3.26Å; A312-H317 HydrophobicContact CB-CB 4.19Å; A312-A318 HydrophobicContact CB-CB 3.58Å |
| 313 | K | 82 | Confident | 91.7 | Very high | 64 Ų | 64 | 6.7 Ų | 6.7 | 28% | 0.278 | 3% | 0.034 | S | C | . | . | S | Bend | trans | -78.5 | -16 | -177.3 | 70.7 | -178.8 | -176.7 | 174.2 | 0 | 116.7 | R42 M44 T45 H317 G729 I806 | R42-K313 WeakPolarHBondContact O-CA 3.26Å; M44-K313 PolarHBondContact O-N 2.87Å; T45-K313 HydrophobicContact CG2-CD 4.47Å; K313-H317 WeakPolarHBondContact CE-CD2 3.31Å; K313-H317 VanDerWaalsContact CE-CE1 3.45Å; K313-H317 WeakPolarHBondContact CE-CE1 3.48Å; K313-H317 WeakPolarHBondContact CE-NE2 3.46Å; K313-H317 HydrophobicContact CG-CB 4.14Å; K313-G729 WeakPolarHBondContact CE-O 3.17Å; K313-G729 PolarHBondContact NZ-O 3.46Å; K313-I806 WeakPolarHBondContact O-CD1 3.31Å |
| 314 | S | 85.4 | Confident | 91.8 | Very high | 19 Ų | 19 | 7.5 Ų | 7.5 | 13% | 0.133 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -154.4 | 163.4 | 176 | 76.7 | 0 | 0 | 0 | 0 | 109.5 | S316 H317 A318 D732 | S314-S316 VanDerWaalsContact C-N 3.26Å; S314-S316 PolarHBondContact O-N 2.73Å; S314-S316 PolarHBondContact OG-N 2.71Å; S314-H317 PolarHBondContact O-N 2.79Å; S314-H317 VanDerWaalsContact O-N 3.17Å; S314-H317 PolarHBondContact OG-CD2 2.87Å; S314-H317 PolarHBondContact OG-N 3.26Å; S314-A318 PolarHBondContact O-N 3.47Å; S314-A318 VanDerWaalsContact O-N 3.07Å; S314-D732 PolarHBondContact OG-OD2 3.22Å |
| 315 | L | 89.3 | Confident | 91.9 | Very high | 5 Ų | 5 | 7.5 Ų | 7.5 | 3% | 0.026 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -54 | -47.4 | 170.8 | -179.5 | 64.8 | 0 | 0 | 0 | 110.1 | L96 P97 I100 H317 A318 Q319 L809 Q811 | L96-L315 HydrophobicContact CD2-CD1 3.78Å; L96-L315 HydrophobicContact CG-CD1 4.15Å; P97-L315 HydrophobicContact CG-CD1 4.16Å; I100-L315 HydrophobicContact CD1-CB 4.48Å; I100-L315 HydrophobicContact CD1-CD1 4Å; L315-H317 VanDerWaalsContact C-N 3.25Å; L315-H317 PolarHBondContact O-N 2.93Å; L315-A318 PolarHBondContact O-N 3.38Å; L315-Q319 HydrophobicContact CD1-CG 3.91Å; L315-Q319 HydrophobicContact CG-CG 3.99Å; L315-Q319 WeakPolarHBondContact O-CB 3.49Å; L315-Q319 WeakPolarHBondContact O-CG 3.32Å; L315-Q319 PolarHBondContact O-N 2.93Å; L315-L809 HydrophobicContact CD2-CB 4.39Å; L315-L809 HydrophobicContact CD2-CD2 4.07Å; L315-Q811 HydrophobicContact CD2-CG 4.37Å |
| 316 | S | 90.9 | Very high | 92 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.014 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -56.9 | -37.2 | 179.3 | -40.2 | 0 | 0 | 0 | 0 | 113.3 | S314 G320 D732 Q811 | S314-S316 VanDerWaalsContact C-N 3.26Å; S314-S316 PolarHBondContact O-N 2.73Å; S314-S316 PolarHBondContact OG-N 2.71Å; S316-G320 PolarHBondContact O-N 2.9Å; S316-D732 WeakPolarHBondContact CB-OD2 3.33Å; S316-D732 PolarHBondContact OG-OD1 3.4Å; S316-D732 PolarHBondContact OG-OD2 2.9Å; S316-D732 VanDerWaalsContact OG-OD2 3.04Å; S316-Q811 VanDerWaalsContact CA-NE2 3.35Å; S316-Q811 WeakPolarHBondContact OG-CG 3.38Å; S316-Q811 PolarHBondContact OG-NE2 3.1Å; S316-Q811 VanDerWaalsContact OG-NE2 3.14Å |
| 317 | H | 90.9 | Very high | 92 | Very high | 5 Ų | 5 | 10.7 Ų | 10.7 | 2% | 0.023 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -72.2 | -44.6 | 178.9 | -90.5 | -74.9 | 0 | 0 | 0 | 112.9 | W46 A312 K313 S314 L315 Q319 G320 A321 G729 | W46-H317 WeakPolarHBondContact CA-O 3.39Å; W46-H317 WeakPolarHBondContact CB-O 3.39Å; W46-H317 AromaticContact CD1-CE1 3.67Å; W46-H317 AromaticContact CD1-ND1 3.58Å; W46-H317 PolarHBondContact N-ND1 3.43Å; A312-H317 HydrophobicContact CB-CB 4.19Å; K313-H317 WeakPolarHBondContact CE-CD2 3.31Å; K313-H317 VanDerWaalsContact CE-CE1 3.45Å; K313-H317 WeakPolarHBondContact CE-CE1 3.48Å; K313-H317 WeakPolarHBondContact CE-NE2 3.46Å; K313-H317 HydrophobicContact CG-CB 4.14Å; S314-H317 PolarHBondContact O-N 2.79Å; S314-H317 VanDerWaalsContact O-N 3.17Å; S314-H317 PolarHBondContact OG-CD2 2.87Å; S314-H317 PolarHBondContact OG-N 3.26Å; L315-H317 VanDerWaalsContact C-N 3.25Å; L315-H317 PolarHBondContact O-N 2.93Å; H317-Q319 VanDerWaalsContact C-N 3.26Å; H317-Q319 PolarHBondContact O-N 3.13Å; H317-G320 PolarHBondContact O-N 2.94Å; H317-A321 WeakPolarHBondContact O-CB 3.17Å; H317-A321 PolarHBondContact O-N 3.41Å; H317-G729 WeakPolarHBondContact CE1-CA 3.36Å; H317-G729 PolarHBondContact NE2-O 3.17Å |
| 318 | A | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L96 V309 A312 S314 L315 A321 T322 | L96-A318 HydrophobicContact CD2-CB 3.32Å; L96-A318 HydrophobicContact CG-CB 4.47Å; V309-A318 HydrophobicContact CG1-CB 3.44Å; V309-A318 VanDerWaalsContact CG1-CB 3.44Å; A312-A318 HydrophobicContact CB-CB 3.58Å; S314-A318 PolarHBondContact O-N 3.47Å; S314-A318 VanDerWaalsContact O-N 3.07Å; L315-A318 PolarHBondContact O-N 3.38Å; A318-A321 VanDerWaalsContact O-CB 3.3Å; A318-A321 WeakPolarHBondContact O-CB 3.36Å; A318-A321 PolarHBondContact O-N 2.74Å; A318-T322 PolarHBondContact O-N 3.44Å |
| 319 | Q | 95.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 6% | 0.061 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 177 | -82.9 | -160 | -26.5 | 0 | 0 | 113 | G92 W93 L315 H317 A321 T322 L323 L819 | G92-Q319 PolarHBondContact O-NE2 3.27Å; W93-Q319 HydrophobicContact CE3-CB 3.98Å; W93-Q319 VanDerWaalsContact CE3-CD 3.41Å; W93-Q319 HydrophobicContact CE3-CG 3.42Å; W93-Q319 VanDerWaalsContact CE3-CG 3.42Å; W93-Q319 HydrophobicContact CH2-CB 3.35Å; W93-Q319 VanDerWaalsContact CH2-CD 3.47Å; W93-Q319 HydrophobicContact CH2-CG 3.64Å; W93-Q319 HydrophobicContact CZ3-CB 2.99Å; W93-Q319 HydrophobicContact CZ3-CG 2.96Å; L315-Q319 HydrophobicContact CD1-CG 3.91Å; L315-Q319 HydrophobicContact CG-CG 3.99Å; L315-Q319 WeakPolarHBondContact O-CB 3.49Å; L315-Q319 WeakPolarHBondContact O-CG 3.32Å; L315-Q319 PolarHBondContact O-N 2.93Å; H317-Q319 VanDerWaalsContact C-N 3.26Å; H317-Q319 PolarHBondContact O-N 3.13Å; Q319-A321 VanDerWaalsContact C-N 3.28Å; Q319-A321 PolarHBondContact O-N 3.23Å; Q319-T322 PolarHBondContact O-N 3.06Å; Q319-T322 PolarHBondContact O-OG1 2.96Å; Q319-L323 WeakPolarHBondContact O-CG 3.48Å; Q319-L323 PolarHBondContact O-N 3.25Å; Q319-L323 VanDerWaalsContact O-N 3.14Å; Q319-L819 HydrophobicContact CB-CD1 4.05Å; Q319-L819 HydrophobicContact CB-CD2 4.38Å |
| 320 | G | 94.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.5 | -35.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S316 H317 L323 M324 | S316-G320 PolarHBondContact O-N 2.9Å; H317-G320 PolarHBondContact O-N 2.94Å; G320-L323 PolarHBondContact O-N 3.35Å; G320-M324 WeakPolarHBondContact O-CB 3.48Å; G320-M324 PolarHBondContact O-N 2.81Å |
| 321 | A | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W46 V49 H317 A318 Q319 L323 M324 A325 | W46-A321 VanDerWaalsContact O-CB 3.32Å; W46-A321 WeakPolarHBondContact O-CB 3.42Å; V49-A321 HydrophobicContact CB-CB 3.73Å; V49-A321 HydrophobicContact CG1-CB 3.51Å; H317-A321 WeakPolarHBondContact O-CB 3.17Å; H317-A321 PolarHBondContact O-N 3.41Å; A318-A321 VanDerWaalsContact O-CB 3.3Å; A318-A321 WeakPolarHBondContact O-CB 3.36Å; A318-A321 PolarHBondContact O-N 2.74Å; Q319-A321 VanDerWaalsContact C-N 3.28Å; Q319-A321 PolarHBondContact O-N 3.23Å; A321-L323 VanDerWaalsContact C-N 3.33Å; A321-L323 PolarHBondContact O-N 3.12Å; A321-M324 PolarHBondContact O-N 3.26Å; A321-A325 WeakPolarHBondContact O-CB 3.49Å; A321-A325 PolarHBondContact O-N 2.94Å |
| 322 | T | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.5 | -34.9 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | L53 L88 Q89 L91 V309 A318 Q319 G326 | L53-T322 HydrophobicContact CD1-CG2 4.11Å; L88-T322 WeakPolarHBondContact O-CB 3.43Å; Q89-T322 PolarHBondContact NE2-O 2.97Å; L91-T322 HydrophobicContact CD2-CG2 4.21Å; L91-T322 HydrophobicContact CG-CG2 4.4Å; V309-T322 HydrophobicContact CG1-CG2 4.33Å; V309-T322 HydrophobicContact CG2-CG2 4.42Å; A318-T322 PolarHBondContact O-N 3.44Å; Q319-T322 PolarHBondContact O-N 3.06Å; Q319-T322 PolarHBondContact O-OG1 2.96Å; T322-G326 PolarHBondContact O-N 3.44Å |
| 323 | L | 96.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 15.7 Ų | 15.7 | 6% | 0.058 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.5 | -49.9 | 173.1 | -76.8 | 169 | 0 | 0 | 0 | 111.9 | W93 Q319 G320 A321 A325 G326 L327 L819 L823 | W93-L323 HydrophobicContact CH2-CD1 3.87Å; W93-L323 HydrophobicContact CH2-CG 4.29Å; W93-L323 HydrophobicContact CZ2-CD1 4.39Å; Q319-L323 WeakPolarHBondContact O-CG 3.48Å; Q319-L323 PolarHBondContact O-N 3.25Å; Q319-L323 VanDerWaalsContact O-N 3.14Å; G320-L323 PolarHBondContact O-N 3.35Å; A321-L323 VanDerWaalsContact C-N 3.33Å; A321-L323 PolarHBondContact O-N 3.12Å; L323-A325 VanDerWaalsContact C-N 3.35Å; L323-A325 PolarHBondContact O-N 3.11Å; L323-G326 PolarHBondContact O-N 3.18Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.35Å; L323-L819 HydrophobicContact CD1-CB 4.23Å; L323-L819 HydrophobicContact CD1-CD2 3.53Å; L323-L819 HydrophobicContact CD1-CG 4.48Å; L323-L823 VanDerWaalsContact CD2-CA 3.48Å; L323-L823 HydrophobicContact CD2-CB 4.18Å; L323-L823 VanDerWaalsContact CD2-N 3.25Å |
| 324 | M | 95.6 | Very high | 94 | Very high | 22 Ų | 22 | 16.4 Ų | 16.4 | 11% | 0.108 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.1 | -50.3 | 175.9 | 173.8 | -167.9 | 141.5 | 0 | 0 | 110.8 | W46 L47 G50 A51 F187 G320 A321 G326 L327 I328 | W46-M324 HydrophobicContact CE3-CB 4.3Å; W46-M324 HydrophobicContact CE3-SD 3.78Å; W46-M324 HydrophobicContact CZ3-CB 4.18Å; W46-M324 HydrophobicContact CZ3-CG 4.11Å; W46-M324 HydrophobicContact CZ3-SD 3.47Å; W46-M324 WeakPolarHBondContact CZ3-SD 3.33Å; L47-M324 HydrophobicContact CD1-CE 3.9Å; L47-M324 HydrophobicContact CD1-SD 3.77Å; G50-M324 VanDerWaalsContact C-CE 3.47Å; A51-M324 HydrophobicContact CB-CE 4.01Å; F187-M324 HydrophobicContact CE1-CE 4.21Å; F187-M324 HydrophobicContact CE2-CE 4.42Å; F187-M324 HydrophobicContact CZ-CE 4.06Å; G320-M324 WeakPolarHBondContact O-CB 3.48Å; G320-M324 PolarHBondContact O-N 2.81Å; A321-M324 PolarHBondContact O-N 3.26Å; M324-G326 VanDerWaalsContact C-N 3.33Å; M324-G326 PolarHBondContact O-N 3.47Å; M324-L327 PolarHBondContact O-N 3.44Å; M324-I328 HydrophobicContact CE-CD1 3.69Å; M324-I328 HydrophobicContact CG-CD1 3.63Å; M324-I328 WeakPolarHBondContact O-CD1 3.14Å; M324-I328 VanDerWaalsContact O-CG1 3.26Å; M324-I328 WeakPolarHBondContact O-CG1 3.49Å; M324-I328 PolarHBondContact O-N 3.48Å |
| 325 | A | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L53 L88 A321 L323 I328 K329 | L53-A325 HydrophobicContact CB-CB 4Å; L53-A325 HydrophobicContact CD1-CB 4.15Å; L88-A325 HydrophobicContact CD1-CB 3.81Å; L88-A325 HydrophobicContact CD2-CB 4.28Å; A321-A325 WeakPolarHBondContact O-CB 3.49Å; A321-A325 PolarHBondContact O-N 2.94Å; L323-A325 VanDerWaalsContact C-N 3.35Å; L323-A325 PolarHBondContact O-N 3.11Å; A325-I328 PolarHBondContact O-N 3.04Å; A325-K329 VanDerWaalsContact O-CB 3.3Å; A325-K329 WeakPolarHBondContact O-CB 3.11Å; A325-K329 VanDerWaalsContact O-CG 3.22Å; A325-K329 WeakPolarHBondContact O-CG 3.41Å; A325-K329 PolarHBondContact O-N 3.21Å |
| 326 | G | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S85 T322 L323 M324 K329 | S85-G326 WeakPolarHBondContact CB-O 3.45Å; S85-G326 PolarHBondContact OG-O 2.97Å; S85-G326 VanDerWaalsContact OG-O 3.13Å; T322-G326 PolarHBondContact O-N 3.44Å; L323-G326 PolarHBondContact O-N 3.18Å; M324-G326 VanDerWaalsContact C-N 3.33Å; M324-G326 PolarHBondContact O-N 3.47Å; G326-K329 WeakPolarHBondContact O-CB 3.33Å; G326-K329 PolarHBondContact O-N 2.83Å |
| 327 | L | 94.3 | Very high | 95.2 | Very high | 66 Ų | 66 | 16 Ų | 16 | 35% | 0.346 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 175.9 | -72 | 172.1 | 0 | 0 | 0 | 112.1 | L323 M324 K329 Q330 T826 | L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.35Å; M324-L327 PolarHBondContact O-N 3.44Å; L327-K329 VanDerWaalsContact C-N 3.26Å; L327-K329 PolarHBondContact O-N 2.9Å; L327-Q330 WeakPolarHBondContact O-CB 3.47Å; L327-Q330 VanDerWaalsContact O-CG 3.27Å; L327-Q330 WeakPolarHBondContact O-CG 3.32Å; L327-Q330 PolarHBondContact O-N 3.41Å; L327-T826 HydrophobicContact CD2-CG2 4.26Å; L327-T826 VanDerWaalsContact CD2-OG1 3.31Å; L327-T826 WeakPolarHBondContact CD2-OG1 3.09Å; L327-T826 HydrophobicContact CG-CG2 4.46Å |
| 328 | I | 94.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 15.8 Ų | 15.8 | 14% | 0.138 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.3 | -29.7 | 179.3 | -61.9 | 164 | 0 | 0 | 0 | 110.6 | F54 F187 I191 M324 A325 Q330 L331 P332 | F54-I328 HydrophobicContact CD2-CB 4.16Å; F54-I328 HydrophobicContact CD2-CG2 3.57Å; F54-I328 HydrophobicContact CE2-CB 4.33Å; F54-I328 HydrophobicContact CE2-CG2 3.4Å; F54-I328 VanDerWaalsContact CE2-CG2 3.4Å; F54-I328 HydrophobicContact CG-CG2 4.22Å; F54-I328 HydrophobicContact CZ-CG2 3.9Å; F187-I328 HydrophobicContact CE2-CD1 3.71Å; F187-I328 HydrophobicContact CE2-CG2 4.15Å; F187-I328 HydrophobicContact CZ-CD1 3.57Å; I191-I328 HydrophobicContact CD1-CG2 3.76Å; M324-I328 HydrophobicContact CE-CD1 3.69Å; M324-I328 HydrophobicContact CG-CD1 3.63Å; M324-I328 WeakPolarHBondContact O-CD1 3.14Å; M324-I328 VanDerWaalsContact O-CG1 3.26Å; M324-I328 WeakPolarHBondContact O-CG1 3.49Å; M324-I328 PolarHBondContact O-N 3.48Å; A325-I328 PolarHBondContact O-N 3.04Å; I328-Q330 PolarHBondContact O-N 2.98Å; I328-L331 HydrophobicContact CG2-CD1 4.2Å; I328-L331 VanDerWaalsContact O-CB 3.31Å; I328-L331 WeakPolarHBondContact O-CB 3.44Å; I328-L331 WeakPolarHBondContact O-CG 3.32Å; I328-L331 PolarHBondContact O-N 3.25Å; I328-P332 WeakPolarHBondContact O-CD 3.41Å |
| 329 | K | 94.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7 | 176.1 | -86.3 | -74.7 | 171 | -176.3 | 0 | 115.2 | F54 N57 E81 A84 L88 A325 G326 L327 L331 P332 | F54-K329 HydrophobicContact CD2-CG 4.36Å; N57-K329 WeakPolarHBondContact ND2-CE 3.49Å; N57-K329 PolarHBondContact ND2-NZ 2.91Å; E81-K329 IonicContact OE1-NZ 3.94Å; E81-K329 WeakPolarHBondContact OE2-CD 3.12Å; E81-K329 IonicContact OE2-NZ 2.6Å; E81-K329 PolarHBondContact OE2-NZ 3.38Å; A84-K329 HydrophobicContact CB-CD 4.46Å; L88-K329 HydrophobicContact CD1-CG 4.03Å; A325-K329 VanDerWaalsContact O-CB 3.3Å; A325-K329 WeakPolarHBondContact O-CB 3.11Å; A325-K329 VanDerWaalsContact O-CG 3.22Å; A325-K329 WeakPolarHBondContact O-CG 3.41Å; A325-K329 PolarHBondContact O-N 3.21Å; G326-K329 WeakPolarHBondContact O-CB 3.33Å; G326-K329 PolarHBondContact O-N 2.83Å; L327-K329 VanDerWaalsContact C-N 3.26Å; L327-K329 PolarHBondContact O-N 2.9Å; K329-L331 VanDerWaalsContact C-N 3.31Å; K329-P332 WeakPolarHBondContact O-CD 3.48Å |
| 330 | Q | 93.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 9% | 0.089 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.2 | 168.4 | -54.8 | -61.1 | -39.8 | 0 | 0 | 112.7 | S85 L327 I328 L829 S830 | S85-Q330 PolarHBondContact OG-NE2 3.32Å; L327-Q330 WeakPolarHBondContact O-CB 3.47Å; L327-Q330 VanDerWaalsContact O-CG 3.27Å; L327-Q330 WeakPolarHBondContact O-CG 3.32Å; L327-Q330 PolarHBondContact O-N 3.41Å; I328-Q330 PolarHBondContact O-N 2.98Å; Q330-L829 HydrophobicContact CG-CD2 3.88Å; Q330-L829 HydrophobicContact CG-CG 4.37Å; Q330-S830 PolarHBondContact NE2-OG 3.44Å |
| 331 | L | 95.2 | Very high | 96 | Very high | 69 Ų | 69 | 15.1 Ų | 15.1 | 36% | 0.361 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -75.6 | -38.2 | -173 | -60.2 | 178.9 | 0 | 0 | 0 | 115.4 | I191 I328 K329 L333 F334 L335 | I191-L331 HydrophobicContact CD1-CD1 4.49Å; I328-L331 HydrophobicContact CG2-CD1 4.2Å; I328-L331 VanDerWaalsContact O-CB 3.31Å; I328-L331 WeakPolarHBondContact O-CB 3.44Å; I328-L331 WeakPolarHBondContact O-CG 3.32Å; I328-L331 PolarHBondContact O-N 3.25Å; K329-L331 VanDerWaalsContact C-N 3.31Å; L331-L333 PolarHBondContact O-N 3.45Å; L331-L333 VanDerWaalsContact O-N 3.09Å; L331-F334 WeakPolarHBondContact O-CA 3.49Å; L331-F334 PolarHBondContact O-N 3.47Å; L331-L335 HydrophobicContact CB-CD1 3.79Å; L331-L335 HydrophobicContact CB-CG 4.12Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 WeakPolarHBondContact O-CG 3.35Å; L331-L335 PolarHBondContact O-N 2.92Å |
| 332 | P | 95.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.019 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.4 | -28 | -176.1 | -30.9 | 38.1 | 0 | 0 | 0 | 115.7 | F54 I58 E81 I328 K329 F334 L335 I336 V337 | F54-P332 HydrophobicContact CE2-CG 4.33Å; I58-P332 HydrophobicContact CD1-CB 4.4Å; I58-P332 HydrophobicContact CD1-CG 3.96Å; E81-P332 HydrophobicContact CG-CB 3.95Å; I328-P332 WeakPolarHBondContact O-CD 3.41Å; K329-P332 WeakPolarHBondContact O-CD 3.48Å; P332-F334 VanDerWaalsContact C-N 3.28Å; P332-F334 PolarHBondContact O-N 3.11Å; P332-L335 PolarHBondContact O-N 3.44Å; P332-I336 HydrophobicContact CB-CD1 4.23Å; P332-I336 HydrophobicContact CB-CG1 4.5Å; P332-I336 WeakPolarHBondContact O-CA 3.23Å; P332-I336 WeakPolarHBondContact O-CB 3.35Å; P332-I336 PolarHBondContact O-N 3.2Å; P332-V337 PolarHBondContact O-N 3.06Å; P332-V337 VanDerWaalsContact O-N 3.13Å |
| 333 | L | 95.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -55.5 | -45.2 | 170.2 | 172.4 | 61.4 | 0 | 0 | 0 | 111.3 | I75 L331 V337 I338 F837 | I75-L333 HydrophobicContact CB-CD1 4.17Å; L331-L333 PolarHBondContact O-N 3.45Å; L331-L333 VanDerWaalsContact O-N 3.09Å; L333-V337 HydrophobicContact CD1-CB 4.19Å; L333-V337 HydrophobicContact CD1-CG1 4.25Å; L333-V337 WeakPolarHBondContact O-CB 3.37Å; L333-I338 WeakPolarHBondContact O-CG1 3.36Å; L333-I338 PolarHBondContact O-N 3.39Å; L333-I338 VanDerWaalsContact O-N 3.08Å; L333-F837 HydrophobicContact CD2-CD2 3.8Å; L333-F837 HydrophobicContact CD2-CE2 3.53Å; L333-F837 HydrophobicContact CD2-CG 4.45Å; L333-F837 HydrophobicContact CD2-CZ 3.95Å |
| 334 | F | 96.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 15.1 Ų | 15.1 | 35% | 0.351 | 7% | 0.074 | S | C | . | . | I | π-helix | trans | -85.8 | -27.9 | -179 | -54.6 | -76.9 | 0 | 0 | 0 | 113.8 | Y202 L331 P332 I338 P339 F837 | Y202-F334 PolarHBondContact OH-O 3.26Å; L331-F334 WeakPolarHBondContact O-CA 3.49Å; L331-F334 PolarHBondContact O-N 3.47Å; P332-F334 VanDerWaalsContact C-N 3.28Å; P332-F334 PolarHBondContact O-N 3.11Å; F334-I338 HydrophobicContact CD1-CD1 3.85Å; F334-I338 HydrophobicContact CE1-CD1 4.41Å; F334-P339 VanDerWaalsContact O-CD 3.26Å; F334-P339 WeakPolarHBondContact O-CD 3.42Å; F334-F837 HydrophobicContact CE1-CE2 4.49Å; F334-F837 AromaticContact CE1-CZ 3.76Å; F334-F837 HydrophobicContact CE1-CZ 3.76Å; F334-F837 AromaticContact CZ-CE2 3.95Å; F334-F837 HydrophobicContact CZ-CE2 3.95Å; F334-F837 AromaticContact CZ-CZ 3.64Å; F334-F837 HydrophobicContact CZ-CZ 3.64Å |
| 335 | L | 96.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 15.4 Ų | 15.4 | 7% | 0.068 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -95.9 | -18.2 | -173.8 | -61.3 | -170.7 | 0 | 0 | 0 | 114.4 | A194 L195 A198 L331 P332 P339 | A194-L335 HydrophobicContact CB-CB 4.15Å; A194-L335 HydrophobicContact CB-CD1 4.32Å; L195-L335 HydrophobicContact CB-CD2 4.39Å; L195-L335 HydrophobicContact CD1-CD2 3.92Å; A198-L335 HydrophobicContact CB-CD2 3.67Å; L331-L335 HydrophobicContact CB-CD1 3.79Å; L331-L335 HydrophobicContact CB-CG 4.12Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 WeakPolarHBondContact O-CG 3.35Å; L331-L335 PolarHBondContact O-N 2.92Å; P332-L335 PolarHBondContact O-N 3.44Å; L335-P339 WeakPolarHBondContact O-CG 3.45Å |
| 336 | I | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -129.2 | -55.1 | -175.5 | -57.2 | -177.3 | 0 | 0 | 0 | 111.1 | I58 H62 F63 L66 A67 P332 G340 | I58-I336 HydrophobicContact CD1-CD1 4.38Å; I58-I336 HydrophobicContact CG2-CD1 4.33Å; H62-I336 HydrophobicContact CB-CD1 4.34Å; H62-I336 WeakPolarHBondContact O-CG2 3.3Å; F63-I336 HydrophobicContact CD1-CD1 3.9Å; F63-I336 HydrophobicContact CD1-CG1 4.07Å; F63-I336 HydrophobicContact CE1-CD1 3.78Å; F63-I336 HydrophobicContact CE1-CG1 3.94Å; F63-I336 HydrophobicContact CG-CD1 4.46Å; F63-I336 HydrophobicContact CZ-CD1 4.23Å; L66-I336 HydrophobicContact CB-CG2 4.35Å; L66-I336 HydrophobicContact CD2-CG2 4.3Å; L66-I336 HydrophobicContact CG-CG2 4.47Å; A67-I336 HydrophobicContact CB-CG2 3.81Å; P332-I336 HydrophobicContact CB-CD1 4.23Å; P332-I336 HydrophobicContact CB-CG1 4.5Å; P332-I336 WeakPolarHBondContact O-CA 3.23Å; P332-I336 WeakPolarHBondContact O-CB 3.35Å; P332-I336 PolarHBondContact O-N 3.2Å; I336-G340 PolarHBondContact O-N 3.29Å |
| 337 | V | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -65.3 | -53.4 | -174.9 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | L66 V77 P332 L333 G340 M341 | L66-V337 HydrophobicContact CD1-CG2 4.13Å; L66-V337 HydrophobicContact CD2-CG2 3.9Å; L66-V337 HydrophobicContact CG-CG2 3.74Å; V77-V337 HydrophobicContact CG1-CG1 3.91Å; V77-V337 HydrophobicContact CG1-CG2 3.92Å; P332-V337 PolarHBondContact O-N 3.06Å; P332-V337 VanDerWaalsContact O-N 3.13Å; L333-V337 HydrophobicContact CD1-CB 4.19Å; L333-V337 HydrophobicContact CD1-CG1 4.25Å; L333-V337 WeakPolarHBondContact O-CB 3.37Å; V337-G340 WeakPolarHBondContact O-CA 3.3Å; V337-G340 PolarHBondContact O-N 2.92Å; V337-M341 PolarHBondContact O-N 3.39Å; V337-M341 VanDerWaalsContact O-N 3.08Å |
| 338 | I | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | -180 | -65.2 | 168.9 | 0 | 0 | 0 | 112.1 | I75 Y202 F208 V211 L333 F334 G340 M341 I342 | I75-I338 HydrophobicContact CG2-CG1 4.42Å; Y202-I338 HydrophobicContact CE1-CG2 3.54Å; Y202-I338 HydrophobicContact CE2-CG2 4.5Å; Y202-I338 VanDerWaalsContact CZ-CG2 3.49Å; Y202-I338 VanDerWaalsContact OH-CB 3.3Å; Y202-I338 WeakPolarHBondContact OH-CB 3.38Å; Y202-I338 WeakPolarHBondContact OH-CD1 3.25Å; Y202-I338 WeakPolarHBondContact OH-CG2 3.29Å; F208-I338 HydrophobicContact CD2-CD1 4.3Å; F208-I338 HydrophobicContact CE2-CD1 3.88Å; V211-I338 HydrophobicContact CG1-CG2 4.41Å; L333-I338 WeakPolarHBondContact O-CG1 3.36Å; L333-I338 PolarHBondContact O-N 3.39Å; L333-I338 VanDerWaalsContact O-N 3.08Å; F334-I338 HydrophobicContact CD1-CD1 3.85Å; F334-I338 HydrophobicContact CE1-CD1 4.41Å; I338-G340 VanDerWaalsContact C-N 3.25Å; I338-G340 PolarHBondContact O-N 3.27Å; I338-M341 HydrophobicContact CG1-SD 4.42Å; I338-M341 WeakPolarHBondContact O-CA 3.47Å; I338-M341 WeakPolarHBondContact O-CB 3.48Å; I338-M341 PolarHBondContact O-N 2.91Å; I338-I342 HydrophobicContact CG2-CD1 3.94Å; I338-I342 HydrophobicContact CG2-CG1 4.31Å; I338-I342 WeakPolarHBondContact O-CG1 3.38Å; I338-I342 PolarHBondContact O-N 3.46Å |
| 339 | P | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -54.1 | -41.1 | 167.4 | -33.4 | 41 | 0 | 0 | 0 | 112.8 | A198 F334 L335 M341 I342 S343 Y374 L377 | A198-P339 HydrophobicContact CB-CG 4.03Å; F334-P339 VanDerWaalsContact O-CD 3.26Å; F334-P339 WeakPolarHBondContact O-CD 3.42Å; L335-P339 WeakPolarHBondContact O-CG 3.45Å; P339-M341 VanDerWaalsContact C-N 3.34Å; P339-M341 PolarHBondContact O-N 3.17Å; P339-I342 WeakPolarHBondContact O-CB 3.41Å; P339-I342 PolarHBondContact O-N 3.07Å; P339-I342 VanDerWaalsContact O-N 3.13Å; P339-S343 PolarHBondContact O-N 2.92Å; P339-Y374 HydrophobicContact CB-CE2 4.35Å; P339-L377 HydrophobicContact CB-CD1 3.99Å; P339-L377 WeakPolarHBondContact O-CD1 3.37Å |
| 340 | G | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -51.3 | -49.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A67 A71 I336 V337 I338 I342 S343 R344 | A67-G340 WeakPolarHBondContact O-CA 3.38Å; A71-G340 WeakPolarHBondContact CB-O 3.44Å; I336-G340 PolarHBondContact O-N 3.29Å; V337-G340 WeakPolarHBondContact O-CA 3.3Å; V337-G340 PolarHBondContact O-N 2.92Å; I338-G340 VanDerWaalsContact C-N 3.25Å; I338-G340 PolarHBondContact O-N 3.27Å; G340-I342 PolarHBondContact O-N 3.07Å; G340-S343 VanDerWaalsContact O-CB 3.3Å; G340-S343 WeakPolarHBondContact O-CB 3.27Å; G340-S343 PolarHBondContact O-N 3.38Å; G340-R344 PolarHBondContact O-N 3.49Å |
| 341 | M | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 175.5 | -62.5 | 174 | 74 | 0 | 0 | 112.8 | G70 I75 Y215 F271 V337 I338 P339 S343 R344 I345 | G70-M341 WeakPolarHBondContact O-CG 3.45Å; I75-M341 HydrophobicContact CG2-CE 4.18Å; I75-M341 HydrophobicContact CG2-SD 3.48Å; I75-M341 WeakPolarHBondContact CG2-SD 3.43Å; Y215-M341 HydrophobicContact CD1-CE 4.1Å; Y215-M341 HydrophobicContact CD2-CB 3.81Å; Y215-M341 HydrophobicContact CD2-CE 3.85Å; Y215-M341 HydrophobicContact CD2-CG 4.31Å; Y215-M341 HydrophobicContact CE1-CE 4.21Å; Y215-M341 HydrophobicContact CE2-CB 3.7Å; Y215-M341 HydrophobicContact CE2-CE 3.96Å; Y215-M341 HydrophobicContact CE2-CG 3.86Å; Y215-M341 HydrophobicContact CG-CE 3.92Å; F271-M341 HydrophobicContact CD1-CE 4.23Å; F271-M341 HydrophobicContact CD2-CE 4.44Å; F271-M341 HydrophobicContact CE1-CE 3.61Å; F271-M341 HydrophobicContact CE2-CE 3.85Å; F271-M341 HydrophobicContact CZ-CE 3.4Å; V337-M341 PolarHBondContact O-N 3.39Å; V337-M341 VanDerWaalsContact O-N 3.08Å; I338-M341 HydrophobicContact CG1-SD 4.42Å; I338-M341 WeakPolarHBondContact O-CA 3.47Å; I338-M341 WeakPolarHBondContact O-CB 3.48Å; I338-M341 PolarHBondContact O-N 2.91Å; P339-M341 VanDerWaalsContact C-N 3.34Å; P339-M341 PolarHBondContact O-N 3.17Å; M341-S343 VanDerWaalsContact C-N 3.29Å; M341-S343 PolarHBondContact O-N 3.04Å; M341-R344 WeakPolarHBondContact O-CB 3.41Å; M341-R344 PolarHBondContact O-N 2.83Å; M341-R344 VanDerWaalsContact O-N 3.14Å; M341-I345 PolarHBondContact O-N 3.3Å |
| 342 | I | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 176.8 | -67.6 | 165.3 | 0 | 0 | 0 | 110.8 | Y202 A205 V211 I338 P339 G340 R344 I345 L346 L377 | Y202-I342 HydrophobicContact CD1-CD1 4.02Å; Y202-I342 HydrophobicContact CE1-CD1 4.27Å; Y202-I342 HydrophobicContact CG-CD1 4.2Å; A205-I342 HydrophobicContact CB-CB 4.49Å; A205-I342 HydrophobicContact CB-CD1 4.17Å; A205-I342 HydrophobicContact CB-CG1 3.86Å; A205-I342 HydrophobicContact CB-CG2 3.91Å; V211-I342 HydrophobicContact CG2-CD1 3.89Å; V211-I342 HydrophobicContact CG2-CG1 3.57Å; I338-I342 HydrophobicContact CG2-CD1 3.94Å; I338-I342 HydrophobicContact CG2-CG1 4.31Å; I338-I342 WeakPolarHBondContact O-CG1 3.38Å; I338-I342 PolarHBondContact O-N 3.46Å; P339-I342 WeakPolarHBondContact O-CB 3.41Å; P339-I342 PolarHBondContact O-N 3.07Å; P339-I342 VanDerWaalsContact O-N 3.13Å; G340-I342 PolarHBondContact O-N 3.07Å; I342-R344 PolarHBondContact O-N 2.62Å; I342-I345 WeakPolarHBondContact O-CB 3.4Å; I342-I345 PolarHBondContact O-N 2.85Å; I342-I345 VanDerWaalsContact O-N 3.08Å; I342-L346 HydrophobicContact CG2-CD1 3.8Å; I342-L346 HydrophobicContact CG2-CG 4.11Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.09Å; I342-L377 HydrophobicContact CG2-CD2 4.28Å |
| 343 | S | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.9 | -37.7 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | P339 G340 M341 L346 F347 A373 | P339-S343 PolarHBondContact O-N 2.92Å; G340-S343 VanDerWaalsContact O-CB 3.3Å; G340-S343 WeakPolarHBondContact O-CB 3.27Å; G340-S343 PolarHBondContact O-N 3.38Å; M341-S343 VanDerWaalsContact C-N 3.29Å; M341-S343 PolarHBondContact O-N 3.04Å; S343-L346 PolarHBondContact O-N 3.2Å; S343-F347 PolarHBondContact O-N 3.38Å; S343-A373 WeakPolarHBondContact CB-O 3.44Å; S343-A373 VanDerWaalsContact OG-CA 3.31Å; S343-A373 WeakPolarHBondContact OG-CA 3.31Å; S343-A373 PolarHBondContact OG-O 2.91Å |
| 344 | R | 97.4 | Very high | 96 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.9 | -179 | 173.2 | 171.7 | 126.2 | 13.6 | 111.7 | A71 Y215 A218 S264 G340 M341 I342 P348 I351 | A71-R344 HydrophobicContact CB-CB 4.38Å; A71-R344 WeakPolarHBondContact O-CD 2.8Å; Y215-R344 HydrophobicContact CE2-CB 4.37Å; A218-R344 HydrophobicContact CB-CG 3.83Å; A218-R344 PolarHBondContact O-NE 2.86Å; A218-R344 PolarHBondContact O-NH2 2.92Å; S264-R344 PolarHBondContact O-NH2 3.45Å; G340-R344 PolarHBondContact O-N 3.49Å; M341-R344 WeakPolarHBondContact O-CB 3.41Å; M341-R344 PolarHBondContact O-N 2.83Å; M341-R344 VanDerWaalsContact O-N 3.14Å; I342-R344 PolarHBondContact O-N 2.62Å; R344-P348 VanDerWaalsContact O-CA 3.31Å; R344-P348 WeakPolarHBondContact O-CA 3.5Å; R344-I351 HydrophobicContact CB-CB 4.42Å; R344-I351 HydrophobicContact CB-CG2 3.82Å; R344-I351 HydrophobicContact CG-CG2 4.15Å |
| 345 | I | 96.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 15.8 Ų | 15.8 | 15% | 0.149 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.3 | -64.6 | 166.2 | 0 | 0 | 0 | 111.2 | V211 Y215 A218 M341 I342 | V211-I345 HydrophobicContact CB-CD1 4.35Å; V211-I345 HydrophobicContact CG1-CD1 4.02Å; Y215-I345 HydrophobicContact CD2-CD1 4.38Å; Y215-I345 HydrophobicContact CD2-CG1 4.26Å; A218-I345 HydrophobicContact CB-CB 4.5Å; A218-I345 HydrophobicContact CB-CG1 4.06Å; M341-I345 PolarHBondContact O-N 3.3Å; I342-I345 WeakPolarHBondContact O-CB 3.4Å; I342-I345 PolarHBondContact O-N 2.85Å; I342-I345 VanDerWaalsContact O-N 3.08Å |
| 346 | L | 96.7 | Very high | 95.4 | Very high | 55 Ų | 55 | 15.7 Ų | 15.7 | 29% | 0.288 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -81 | -29.2 | -176.3 | -63.6 | 179.2 | 0 | 0 | 0 | 113.5 | N204 I342 S343 P348 L377 I381 | N204-L346 HydrophobicContact CB-CD1 4.02Å; N204-L346 HydrophobicContact CB-CD2 4.36Å; I342-L346 HydrophobicContact CG2-CD1 3.8Å; I342-L346 HydrophobicContact CG2-CG 4.11Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.09Å; S343-L346 PolarHBondContact O-N 3.2Å; L346-P348 VanDerWaalsContact C-CD 3.45Å; L346-L377 HydrophobicContact CD1-CD2 3.86Å; L346-I381 HydrophobicContact CD1-CG2 4.15Å |
| 347 | F | 96.2 | Very high | 95 | Very high | 39 Ų | 39 | 20.7 Ų | 20.7 | 17% | 0.171 | 12% | 0.119 | C | C | . | . | trans | -131.3 | 58.5 | -176.9 | -50.2 | -68.5 | 0 | 0 | 0 | 112 | S343 D349 V350 I351 K376 L377 N380 I381 | S343-F347 PolarHBondContact O-N 3.38Å; F347-D349 VanDerWaalsContact C-N 3.27Å; F347-D349 PolarHBondContact O-N 2.75Å; F347-V350 PolarHBondContact O-N 2.91Å; F347-I351 HydrophobicContact CB-CG1 4.29Å; F347-I351 WeakPolarHBondContact O-CB 3.44Å; F347-I351 PolarHBondContact O-N 3.04Å; F347-K376 HydrophobicContact CD2-CB 4.04Å; F347-K376 HydrophobicContact CE2-CB 4.41Å; F347-L377 HydrophobicContact CE2-CD2 4.25Å; F347-N380 HydrophobicContact CE1-CB 3.87Å; F347-N380 HydrophobicContact CE2-CB 4.25Å; F347-N380 HydrophobicContact CZ-CB 3.4Å; F347-N380 VanDerWaalsContact CZ-CB 3.4Å; F347-I381 HydrophobicContact CE2-CG2 4.29Å; F347-I381 HydrophobicContact CZ-CG2 4.08Å | ||
| 348 | P | 95 | Very high | 94.6 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 19% | 0.188 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.9 | -28.2 | -174.7 | 27.7 | -35.2 | 0 | 0 | 0 | 112.9 | A220 R344 L346 V350 G352 | A220-P348 WeakPolarHBondContact CB-O 3.13Å; R344-P348 VanDerWaalsContact O-CA 3.31Å; R344-P348 WeakPolarHBondContact O-CA 3.5Å; L346-P348 VanDerWaalsContact C-CD 3.45Å; P348-V350 VanDerWaalsContact C-N 3.31Å; P348-V350 PolarHBondContact O-N 3.44Å; P348-G352 CarbonylContact O-C 3.2Å; P348-G352 WeakPolarHBondContact O-CA 3.36Å; P348-G352 PolarHBondContact O-N 2.84Å |
| 349 | D | 92.8 | Very high | 94.4 | Very high | 85 Ų | 85 | 23.2 Ų | 23.2 | 46% | 0.455 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.8 | -33.3 | 176.7 | 65.1 | -45.5 | 0 | 0 | 0 | 113.4 | P221 F347 I362 | P221-D349 HydrophobicContact CG-CB 4.44Å; F347-D349 VanDerWaalsContact C-N 3.27Å; F347-D349 PolarHBondContact O-N 2.75Å; D349-I362 WeakPolarHBondContact O-CD1 3.49Å |
| 350 | V | 94 | Very high | 94.1 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -94.2 | -54.3 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | F347 P348 C353 I362 C369 | F347-V350 PolarHBondContact O-N 2.91Å; P348-V350 VanDerWaalsContact C-N 3.31Å; P348-V350 PolarHBondContact O-N 3.44Å; V350-C353 PolarHBondContact O-SG 3.46Å; V350-C353 VanDerWaalsContact O-SG 3.39Å; V350-I362 HydrophobicContact CB-CG2 4.27Å; V350-I362 HydrophobicContact CG1-CG2 3.58Å; V350-I362 HydrophobicContact CG2-CG2 4.43Å; V350-C369 WeakPolarHBondContact O-CB 3.3Å |
| 351 | I | 95.2 | Very high | 93.9 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.1 | -34.9 | -168.2 | -58.2 | -56 | 0 | 0 | 0 | 111.3 | A71 R344 F347 L372 A373 K376 | A71-I351 HydrophobicContact CB-CG2 3.8Å; R344-I351 HydrophobicContact CB-CB 4.42Å; R344-I351 HydrophobicContact CB-CG2 3.82Å; R344-I351 HydrophobicContact CG-CG2 4.15Å; F347-I351 HydrophobicContact CB-CG1 4.29Å; F347-I351 WeakPolarHBondContact O-CB 3.44Å; F347-I351 PolarHBondContact O-N 3.04Å; I351-L372 HydrophobicContact CD1-CB 3.98Å; I351-A373 HydrophobicContact CD1-CB 4.23Å; I351-A373 HydrophobicContact CG2-CB 4.41Å; I351-K376 HydrophobicContact CD1-CG 4.29Å |
| 352 | G | 92.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 22.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A220 P348 | A220-G352 WeakPolarHBondContact CB-O 3.08Å; P348-G352 CarbonylContact O-C 3.2Å; P348-G352 WeakPolarHBondContact O-CA 3.36Å; P348-G352 PolarHBondContact O-N 2.84Å |
| 353 | C | 93.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 150.7 | 178.3 | 62.7 | 0 | 0 | 0 | 0 | 111.9 | V350 P355 C359 I362 C369 | V350-C353 PolarHBondContact O-SG 3.46Å; V350-C353 VanDerWaalsContact O-SG 3.39Å; C353-P355 WeakPolarHBondContact O-CD 3.15Å; C353-C359 HydrophobicContact CB-CB 4.22Å; C353-C359 WeakPolarHBondContact CB-SG 3.15Å; C353-C359 PolarHBondContact O-SG 3.33Å; C353-C359 VanDerWaalsContact SG-CA 3.5Å; C353-C359 WeakPolarHBondContact SG-CB 3.43Å; C353-C359 CovalentContact SG-SG 2.04Å; C353-C359 PolarHBondContact SG-SG 3.01Å; C353-I362 HydrophobicContact CB-CD1 3.75Å; C353-C369 PolarHBondContact SG-SG 3.5Å |
| 354 | K | 92.1 | Very high | 92.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 124.4 | 175.3 | -68.4 | 176.4 | -64.2 | -174.4 | 0 | 109.9 | D229 L232 D358 C359 | D229-K354 VanDerWaalsContact CG-NZ 3.33Å; D229-K354 IonicContact OD1-NZ 2.68Å; D229-K354 PolarHBondContact OD1-NZ 3.4Å; D229-K354 IonicContact OD2-NZ 3.7Å; L232-K354 HydrophobicContact CD2-CD 4.41Å; K354-D358 WeakPolarHBondContact CE-OD2 3.29Å; K354-D358 IonicContact NZ-OD2 2.96Å; K354-C359 PolarHBondContact O-N 3.46Å; K354-C359 PolarHBondContact O-SG 3.45Å |
| 355 | P | 92.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 143.3 | 176.5 | -27.1 | 35.7 | 0 | 0 | 0 | 112 | C263 C353 K366 V518 C519 | C263-P355 HydrophobicContact CB-CG 3.96Å; C353-P355 WeakPolarHBondContact O-CD 3.15Å; P355-K366 CarbonylContact C-O 3.55Å; P355-K366 WeakPolarHBondContact CA-O 3.35Å; P355-V518 HydrophobicContact CB-CG1 4.2Å; P355-C519 HydrophobicContact CB-CB 4.14Å; P355-C519 HydrophobicContact CG-CB 4.28Å |
| 356 | G | 89.2 | Confident | 91.9 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 113.4 | -140.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D358 Y360 K366 | G356-D358 VanDerWaalsContact C-N 3.28Å; G356-D358 PolarHBondContact O-N 2.97Å; G356-Y360 PolarHBondContact O-N 2.71Å; G356-Y360 VanDerWaalsContact O-N 3.16Å; G356-K366 PolarHBondContact N-O 3.01Å |
| 357 | P | 88.9 | Confident | 91.5 | Very high | 110 Ų | 110 | 49.3 Ų | 49.3 | 71% | 0.714 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.1 | -33.8 | -176.1 | -25.4 | 34.7 | 0 | 0 | 0 | 114.5 | Y360 R361 | P357-Y360 PolarHBondContact O-N 3.29Å; P357-R361 PolarHBondContact O-N 2.75Å |
| 358 | D | 89.5 | Confident | 91.3 | Very high | 52 Ų | 52 | 48 Ų | 48 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.9 | -53.7 | -177.1 | -67.8 | -23.1 | 0 | 0 | 0 | 111.5 | K354 G356 Y360 R361 I362 | K354-D358 WeakPolarHBondContact CE-OD2 3.29Å; K354-D358 IonicContact NZ-OD2 2.96Å; G356-D358 VanDerWaalsContact C-N 3.28Å; G356-D358 PolarHBondContact O-N 2.97Å; D358-Y360 VanDerWaalsContact C-N 3.3Å; D358-Y360 PolarHBondContact O-N 3.47Å; D358-R361 PolarHBondContact O-N 2.65Å; D358-I362 WeakPolarHBondContact O-CG1 3.49Å; D358-I362 PolarHBondContact O-N 2.96Å |
| 359 | C | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -36.9 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | C353 K354 R361 I362 C363 Q365 C369 | C353-C359 HydrophobicContact CB-CB 4.22Å; C353-C359 WeakPolarHBondContact CB-SG 3.15Å; C353-C359 PolarHBondContact O-SG 3.33Å; C353-C359 VanDerWaalsContact SG-CA 3.5Å; C353-C359 WeakPolarHBondContact SG-CB 3.43Å; C353-C359 CovalentContact SG-SG 2.04Å; C353-C359 PolarHBondContact SG-SG 3.01Å; K354-C359 PolarHBondContact O-N 3.46Å; K354-C359 PolarHBondContact O-SG 3.45Å; C359-R361 VanDerWaalsContact C-N 3.31Å; C359-R361 PolarHBondContact O-N 2.93Å; C359-I362 PolarHBondContact O-N 3.38Å; C359-I362 VanDerWaalsContact O-N 3.1Å; C359-C363 PolarHBondContact O-N 3.09Å; C359-C363 PolarHBondContact O-SG 3.34Å; C359-C363 VanDerWaalsContact O-SG 3.4Å; C359-Q365 CarbonylContact C-O 3.58Å; C359-Q365 VanDerWaalsContact CB-O 3.24Å; C359-Q365 WeakPolarHBondContact CB-O 3.19Å; C359-C369 PolarHBondContact O-SG 2.96Å; C359-C369 VanDerWaalsContact O-SG 3.39Å |
| 360 | Y | 91.5 | Very high | 91.4 | Very high | 137 Ų | 137 | 43 Ų | 43 | 54% | 0.537 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 177 | -174 | -100.8 | 0 | 0 | 0 | 112.2 | G356 P357 D358 I362 G364 Q365 K366 | G356-Y360 PolarHBondContact O-N 2.71Å; G356-Y360 VanDerWaalsContact O-N 3.16Å; P357-Y360 PolarHBondContact O-N 3.29Å; D358-Y360 VanDerWaalsContact C-N 3.3Å; D358-Y360 PolarHBondContact O-N 3.47Å; Y360-I362 VanDerWaalsContact C-N 3.3Å; Y360-I362 PolarHBondContact O-N 3.41Å; Y360-G364 WeakPolarHBondContact O-CA 3.3Å; Y360-G364 PolarHBondContact O-N 3.49Å; Y360-Q365 PolarHBondContact N-O 3.47Å; Y360-K366 HydrophobicContact CD2-CG 3.97Å; Y360-K366 HydrophobicContact CG-CG 4.35Å |
| 361 | R | 91.5 | Very high | 91.4 | Very high | 195 Ų | 195 | 42.9 Ų | 42.9 | 74% | 0.736 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.6 | -32.4 | 175.7 | -172.9 | -178.3 | 65.3 | 82.3 | 1 | 112.8 | P357 D358 C359 | P357-R361 PolarHBondContact O-N 2.75Å; D358-R361 PolarHBondContact O-N 2.65Å; C359-R361 VanDerWaalsContact C-N 3.31Å; C359-R361 PolarHBondContact O-N 2.93Å |
| 362 | I | 90.7 | Very high | 91.4 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 28% | 0.277 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -82.9 | -48.3 | -174.2 | -67.5 | 166.7 | 0 | 0 | 0 | 111.7 | D349 V350 C353 D358 C359 Y360 | D349-I362 WeakPolarHBondContact O-CD1 3.49Å; V350-I362 HydrophobicContact CB-CG2 4.27Å; V350-I362 HydrophobicContact CG1-CG2 3.58Å; V350-I362 HydrophobicContact CG2-CG2 4.43Å; C353-I362 HydrophobicContact CB-CD1 3.75Å; D358-I362 WeakPolarHBondContact O-CG1 3.49Å; D358-I362 PolarHBondContact O-N 2.96Å; C359-I362 PolarHBondContact O-N 3.38Å; C359-I362 VanDerWaalsContact O-N 3.1Å; Y360-I362 VanDerWaalsContact C-N 3.3Å; Y360-I362 PolarHBondContact O-N 3.41Å |
| 363 | C | 89.8 | Confident | 91.5 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -129.7 | 3.6 | -172 | 65.7 | 0 | 0 | 0 | 0 | 114.8 | C359 Q365 C369 L372 | C359-C363 PolarHBondContact O-N 3.09Å; C359-C363 PolarHBondContact O-SG 3.34Å; C359-C363 VanDerWaalsContact O-SG 3.4Å; C363-Q365 VanDerWaalsContact C-N 3.26Å; C363-Q365 PolarHBondContact O-N 2.88Å; C363-C369 HydrophobicContact CB-CB 3.76Å; C363-C369 WeakPolarHBondContact CB-SG 3.27Å; C363-C369 WeakPolarHBondContact SG-CA 3.37Å; C363-C369 WeakPolarHBondContact SG-CB 3.29Å; C363-C369 CovalentContact SG-SG 2.03Å; C363-C369 PolarHBondContact SG-SG 3.21Å; C363-L372 HydrophobicContact CB-CD1 3.52Å; C363-L372 HydrophobicContact CB-CG 4.29Å |
| 364 | G | 87.7 | Confident | 91.6 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 74.3 | 13.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y360 | Y360-G364 WeakPolarHBondContact O-CA 3.3Å; Y360-G364 PolarHBondContact O-N 3.49Å |
| 365 | Q | 88 | Confident | 91.6 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -126.1 | 127.6 | -178.8 | -69.6 | -67.1 | -22.9 | 0 | 0 | 110.4 | C359 Y360 C363 Q453 | C359-Q365 CarbonylContact C-O 3.58Å; C359-Q365 VanDerWaalsContact CB-O 3.24Å; C359-Q365 WeakPolarHBondContact CB-O 3.19Å; Y360-Q365 PolarHBondContact N-O 3.47Å; C363-Q365 VanDerWaalsContact C-N 3.26Å; C363-Q365 PolarHBondContact O-N 2.88Å; Q365-Q453 PolarHBondContact NE2-O 3.39Å; Q365-Q453 PolarHBondContact OE1-O 3.35Å | ||
| 366 | K | 90.1 | Very high | 91.7 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -75.1 | -35.3 | -177.7 | -67.9 | -179.8 | -179 | 176.1 | 0 | 112.5 | P355 G356 Y360 G368 V518 | P355-K366 CarbonylContact C-O 3.55Å; P355-K366 WeakPolarHBondContact CA-O 3.35Å; G356-K366 PolarHBondContact N-O 3.01Å; Y360-K366 HydrophobicContact CD2-CG 3.97Å; Y360-K366 HydrophobicContact CG-CG 4.35Å; K366-G368 PolarHBondContact O-N 3.23Å; K366-V518 HydrophobicContact CB-CG1 4.49Å; K366-V518 HydrophobicContact CB-CG2 3.95Å |
| 367 | S | 89.1 | Confident | 91.9 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -73.2 | -26.3 | -173 | -49.4 | 0 | 0 | 0 | 0 | 113.5 | S458 | S367-S458 WeakPolarHBondContact O-CB 3.36Š|
| 368 | G | 91.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 37 Ų | 37 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | trans | 153.6 | 161.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K366 | K366-G368 PolarHBondContact O-N 3.23Š| ||
| 369 | C | 94.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | trans | -107 | 22.4 | -177.4 | -58.3 | 0 | 0 | 0 | 0 | 113.8 | V350 C353 C359 C363 N371 L372 | V350-C369 WeakPolarHBondContact O-CB 3.3Å; C353-C369 PolarHBondContact SG-SG 3.5Å; C359-C369 PolarHBondContact O-SG 2.96Å; C359-C369 VanDerWaalsContact O-SG 3.39Å; C363-C369 HydrophobicContact CB-CB 3.76Å; C363-C369 WeakPolarHBondContact CB-SG 3.27Å; C363-C369 WeakPolarHBondContact SG-CA 3.37Å; C363-C369 WeakPolarHBondContact SG-CB 3.29Å; C363-C369 CovalentContact SG-SG 2.03Å; C363-C369 PolarHBondContact SG-SG 3.21Å; C369-N371 VanDerWaalsContact C-N 3.3Å; C369-N371 PolarHBondContact O-N 3.41Å; C369-L372 HydrophobicContact CB-CD1 4.44Å; C369-L372 WeakPolarHBondContact O-CB 3.11Å; C369-L372 PolarHBondContact O-N 2.95Å | ||
| 370 | S | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61.6 | -35.7 | -171.5 | 85.7 | 0 | 0 | 0 | 0 | 113.3 | G68 L372 A373 S458 | G68-S370 WeakPolarHBondContact CA-O 3.12Å; G68-S370 WeakPolarHBondContact O-CB 3.1Å; G68-S370 PolarHBondContact O-OG 2.59Å; S370-L372 PolarHBondContact O-N 2.8Å; S370-A373 WeakPolarHBondContact O-CB 3.39Å; S370-A373 PolarHBondContact O-N 2.93Å; S370-S458 PolarHBondContact OG-O 2.85Å |
| 371 | N | 94 | Very high | 92.2 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.053 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -59.9 | -13.9 | 177.1 | -63.2 | -36.8 | 0 | 0 | 0 | 113.5 | I64 L146 C369 A373 Q456 L460 | I64-N371 HydrophobicContact CG2-CB 4Å; L146-N371 HydrophobicContact CD2-CB 3.75Å; C369-N371 VanDerWaalsContact C-N 3.3Å; C369-N371 PolarHBondContact O-N 3.41Å; N371-A373 VanDerWaalsContact C-N 3.33Å; N371-Q456 PolarHBondContact ND2-OE1 2.74Å; N371-L460 WeakPolarHBondContact OD1-CB 3.14Å; N371-L460 PolarHBondContact OD1-N 3.01Å; N371-L460 VanDerWaalsContact OD1-N 3.14Å |
| 372 | L | 94.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -83.7 | -4.3 | 174.3 | -58.7 | -168.4 | 0 | 0 | 0 | 114 | L146 E150 I351 C363 C369 S370 Y374 P375 K376 | L146-L372 HydrophobicContact CD1-CD2 3.82Å; L146-L372 HydrophobicContact CD2-CD2 3.94Å; L146-L372 HydrophobicContact CG-CD2 3.82Å; E150-L372 HydrophobicContact CG-CD2 3.72Å; I351-L372 HydrophobicContact CD1-CB 3.98Å; C363-L372 HydrophobicContact CB-CD1 3.52Å; C363-L372 HydrophobicContact CB-CG 4.29Å; C369-L372 HydrophobicContact CB-CD1 4.44Å; C369-L372 WeakPolarHBondContact O-CB 3.11Å; C369-L372 PolarHBondContact O-N 2.95Å; S370-L372 PolarHBondContact O-N 2.8Å; L372-Y374 PolarHBondContact O-N 3.43Å; L372-P375 VanDerWaalsContact O-CD 3.31Å; L372-P375 WeakPolarHBondContact O-CD 3.34Å; L372-K376 HydrophobicContact CB-CG 4.37Å; L372-K376 VanDerWaalsContact O-CB 3.26Å; L372-K376 WeakPolarHBondContact O-CB 3.2Å; L372-K376 VanDerWaalsContact O-CG 3.29Å; L372-K376 WeakPolarHBondContact O-CG 3.41Å; L372-K376 PolarHBondContact O-N 3.49Å |
| 373 | A | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.1 | -57.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A71 S343 I351 S370 N371 K376 L377 | A71-A373 HydrophobicContact CB-CB 3.56Å; S343-A373 WeakPolarHBondContact CB-O 3.44Å; S343-A373 VanDerWaalsContact OG-CA 3.31Å; S343-A373 WeakPolarHBondContact OG-CA 3.31Å; S343-A373 PolarHBondContact OG-O 2.91Å; I351-A373 HydrophobicContact CD1-CB 4.23Å; I351-A373 HydrophobicContact CG2-CB 4.41Å; S370-A373 WeakPolarHBondContact O-CB 3.39Å; S370-A373 PolarHBondContact O-N 2.93Å; N371-A373 VanDerWaalsContact C-N 3.33Å; A373-K376 PolarHBondContact O-N 3.5Å; A373-L377 PolarHBondContact O-N 3.41Å; A373-L377 VanDerWaalsContact O-N 3.11Å |
| 374 | Y | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | -178.2 | -157.2 | -92 | 0 | 0 | 0 | 113.3 | F63 A67 L197 P339 L372 K376 L377 V378 M390 M394 | F63-Y374 HydrophobicContact CB-CD1 4.18Å; F63-Y374 HydrophobicContact CB-CE1 4.29Å; F63-Y374 HydrophobicContact CD1-CD1 4.07Å; F63-Y374 AromaticContact CD1-CE1 3.41Å; F63-Y374 HydrophobicContact CD1-CE1 3.41Å; F63-Y374 VanDerWaalsContact CD1-CE1 3.41Å; F63-Y374 AromaticContact CD1-CE2 3.92Å; F63-Y374 HydrophobicContact CD1-CE2 3.92Å; F63-Y374 AromaticContact CD1-CZ 3.31Å; F63-Y374 WeakPolarHBondContact CD1-OH 3.21Å; F63-Y374 HydrophobicContact CE1-CE1 4.03Å; F63-Y374 HydrophobicContact CE1-CE2 4.41Å; F63-Y374 AromaticContact CE1-CZ 3.65Å; F63-Y374 WeakPolarHBondContact CE1-OH 3.42Å; F63-Y374 HydrophobicContact CG-CE1 4.18Å; F63-Y374 WeakPolarHBondContact O-CB 3.1Å; A67-Y374 HydrophobicContact CB-CD2 3.87Å; A67-Y374 HydrophobicContact CB-CG 4.2Å; L197-Y374 HydrophobicContact CD2-CD1 4.31Å; L197-Y374 HydrophobicContact CD2-CD2 4.25Å; L197-Y374 HydrophobicContact CD2-CE1 3.72Å; L197-Y374 HydrophobicContact CD2-CE2 3.64Å; P339-Y374 HydrophobicContact CB-CE2 4.35Å; L372-Y374 PolarHBondContact O-N 3.43Å; Y374-K376 VanDerWaalsContact C-N 3.28Å; Y374-K376 PolarHBondContact O-N 3.42Å; Y374-L377 PolarHBondContact O-N 3.13Å; Y374-V378 HydrophobicContact CD1-CG2 4.03Å; Y374-V378 HydrophobicContact CE1-CG2 4.1Å; Y374-V378 WeakPolarHBondContact O-CG2 3.47Å; Y374-V378 PolarHBondContact O-N 3.27Å; Y374-V378 VanDerWaalsContact O-N 3.1Å; Y374-M390 HydrophobicContact CE1-CE 3.57Å; Y374-M390 WeakPolarHBondContact OH-CE 3.17Å; Y374-M394 HydrophobicContact CD1-SD 4.21Å; Y374-M394 HydrophobicContact CE1-CE 3.88Å; Y374-M394 HydrophobicContact CE1-SD 4.08Å |
| 375 | P | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.1 | -41.3 | 171.5 | -22.8 | 28.1 | 0 | 0 | 0 | 113.2 | I64 F147 E150 L372 L377 V378 I379 | I64-P375 HydrophobicContact CD1-CG 3.42Å; I64-P375 VanDerWaalsContact CD1-CG 3.42Å; F147-P375 HydrophobicContact CD2-CB 4.09Å; F147-P375 HydrophobicContact CD2-CG 4.06Å; E150-P375 HydrophobicContact CB-CB 3.96Å; E150-P375 HydrophobicContact CG-CB 4.27Å; L372-P375 VanDerWaalsContact O-CD 3.31Å; L372-P375 WeakPolarHBondContact O-CD 3.34Å; P375-L377 PolarHBondContact O-N 3.3Å; P375-V378 PolarHBondContact O-N 3.01Å; P375-I379 WeakPolarHBondContact O-CB 3.33Å; P375-I379 WeakPolarHBondContact O-CD1 3.32Å; P375-I379 VanDerWaalsContact O-CG1 3.28Å; P375-I379 WeakPolarHBondContact O-CG1 3.46Å; P375-I379 PolarHBondContact O-N 3.01Å |
| 376 | K | 93.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 27 Ų | 27 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 179.9 | -83.7 | -74.1 | -176.7 | 164.9 | 0 | 112.2 | F347 I351 L372 A373 Y374 N380 | F347-K376 HydrophobicContact CD2-CB 4.04Å; F347-K376 HydrophobicContact CE2-CB 4.41Å; I351-K376 HydrophobicContact CD1-CG 4.29Å; L372-K376 HydrophobicContact CB-CG 4.37Å; L372-K376 VanDerWaalsContact O-CB 3.26Å; L372-K376 WeakPolarHBondContact O-CB 3.2Å; L372-K376 VanDerWaalsContact O-CG 3.29Å; L372-K376 WeakPolarHBondContact O-CG 3.41Å; L372-K376 PolarHBondContact O-N 3.49Å; A373-K376 PolarHBondContact O-N 3.5Å; Y374-K376 VanDerWaalsContact C-N 3.28Å; Y374-K376 PolarHBondContact O-N 3.42Å; K376-N380 WeakPolarHBondContact O-CB 3.32Å; K376-N380 PolarHBondContact O-N 3.47Å; K376-N380 VanDerWaalsContact O-N 3.16Å; K376-N380 PolarHBondContact O-ND2 2.99Å |
| 377 | L | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -51.5 | 171.2 | -72.5 | 173.4 | 0 | 0 | 0 | 111.2 | L197 P339 I342 L346 F347 A373 Y374 P375 I379 N380 I381 | L197-L377 HydrophobicContact CD1-CB 4.25Å; L197-L377 HydrophobicContact CD2-CB 4.42Å; P339-L377 HydrophobicContact CB-CD1 3.99Å; P339-L377 WeakPolarHBondContact O-CD1 3.37Å; I342-L377 HydrophobicContact CG2-CD2 4.28Å; L346-L377 HydrophobicContact CD1-CD2 3.86Å; F347-L377 HydrophobicContact CE2-CD2 4.25Å; A373-L377 PolarHBondContact O-N 3.41Å; A373-L377 VanDerWaalsContact O-N 3.11Å; Y374-L377 PolarHBondContact O-N 3.13Å; P375-L377 PolarHBondContact O-N 3.3Å; L377-I379 VanDerWaalsContact C-N 3.27Å; L377-I379 PolarHBondContact O-N 3.41Å; L377-N380 PolarHBondContact O-N 3.05Å; L377-I381 HydrophobicContact CB-CD1 4.06Å; L377-I381 HydrophobicContact CD2-CD1 3.67Å; L377-I381 HydrophobicContact CD2-CG2 4.24Å; L377-I381 HydrophobicContact CG-CD1 4.4Å; L377-I381 VanDerWaalsContact O-CG1 3.27Å; L377-I381 WeakPolarHBondContact O-CG1 3.5Å; L377-I381 PolarHBondContact O-N 2.65Å |
| 378 | V | 93.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.6 | -44.3 | -177.8 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | F147 L197 Y374 P375 M382 R387 M390 | F147-V378 HydrophobicContact CE2-CG1 4.43Å; F147-V378 HydrophobicContact CE2-CG2 4.46Å; L197-V378 HydrophobicContact CD2-CG2 3.99Å; Y374-V378 HydrophobicContact CD1-CG2 4.03Å; Y374-V378 HydrophobicContact CE1-CG2 4.1Å; Y374-V378 WeakPolarHBondContact O-CG2 3.47Å; Y374-V378 PolarHBondContact O-N 3.27Å; Y374-V378 VanDerWaalsContact O-N 3.1Å; P375-V378 PolarHBondContact O-N 3.01Å; V378-M382 HydrophobicContact CB-CE 3.68Å; V378-M382 HydrophobicContact CB-SD 4.39Å; V378-M382 HydrophobicContact CG1-CE 3.72Å; V378-M382 HydrophobicContact CG1-SD 3.92Å; V378-M382 HydrophobicContact CG2-CE 3.4Å; V378-M382 VanDerWaalsContact CG2-CE 3.4Å; V378-M382 WeakPolarHBondContact O-CB 3.4Å; V378-R387 HydrophobicContact CG1-CG 4.4Å; V378-M390 HydrophobicContact CG1-CB 3.86Å; V378-M390 HydrophobicContact CG2-CB 4.49Å; V378-M390 HydrophobicContact CG2-CE 4.33Å |
| 379 | I | 90.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 22.3 Ų | 22.3 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -76.9 | -37.3 | -172.8 | -67.4 | 162.7 | 0 | 0 | 0 | 111.9 | M1 E150 A151 P375 L377 | M1-I379 HydrophobicContact CE-CG2 3.89Å; M1-I379 HydrophobicContact SD-CG2 3.84Å; E150-I379 HydrophobicContact CB-CD1 3.91Å; E150-I379 WeakPolarHBondContact O-CD1 3.44Å; A151-I379 HydrophobicContact CB-CD1 4.37Å; P375-I379 WeakPolarHBondContact O-CB 3.33Å; P375-I379 WeakPolarHBondContact O-CD1 3.32Å; P375-I379 VanDerWaalsContact O-CG1 3.28Å; P375-I379 WeakPolarHBondContact O-CG1 3.46Å; P375-I379 PolarHBondContact O-N 3.01Å; L377-I379 VanDerWaalsContact C-N 3.27Å; L377-I379 PolarHBondContact O-N 3.41Å |
| 380 | N | 91.4 | Very high | 92.9 | Very high | 87 Ų | 87 | 22.2 Ų | 22.2 | 47% | 0.465 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -101.5 | -25 | -167.5 | -64.2 | -75.7 | 0 | 0 | 0 | 114.2 | F347 K376 L377 | F347-N380 HydrophobicContact CE1-CB 3.87Å; F347-N380 HydrophobicContact CE2-CB 4.25Å; F347-N380 HydrophobicContact CZ-CB 3.4Å; F347-N380 VanDerWaalsContact CZ-CB 3.4Å; K376-N380 WeakPolarHBondContact O-CB 3.32Å; K376-N380 PolarHBondContact O-N 3.47Å; K376-N380 VanDerWaalsContact O-N 3.16Å; K376-N380 PolarHBondContact O-ND2 2.99Å; L377-N380 PolarHBondContact O-N 3.05Å |
| 381 | I | 92.7 | Very high | 92.7 | Very high | 30 Ų | 30 | 22.2 Ų | 22.2 | 15% | 0.154 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -108.3 | -21.5 | -175.8 | 89.2 | -171.6 | 0 | 0 | 0 | 113.5 | L197 I200 S201 L346 F347 L377 | L197-I381 HydrophobicContact CD1-CD1 3.7Å; L197-I381 HydrophobicContact CD1-CG1 4.09Å; I200-I381 HydrophobicContact CG2-CB 4.46Å; I200-I381 HydrophobicContact CG2-CD1 3.95Å; I200-I381 HydrophobicContact CG2-CG1 3.82Å; S201-I381 WeakPolarHBondContact OG-CD1 3.31Å; L346-I381 HydrophobicContact CD1-CG2 4.15Å; F347-I381 HydrophobicContact CE2-CG2 4.29Å; F347-I381 HydrophobicContact CZ-CG2 4.08Å; L377-I381 HydrophobicContact CB-CD1 4.06Å; L377-I381 HydrophobicContact CD2-CD1 3.67Å; L377-I381 HydrophobicContact CD2-CG2 4.24Å; L377-I381 HydrophobicContact CG-CD1 4.4Å; L377-I381 VanDerWaalsContact O-CG1 3.27Å; L377-I381 WeakPolarHBondContact O-CG1 3.5Å; L377-I381 PolarHBondContact O-N 2.65Å |
| 382 | M | 91.5 | Very high | 92.6 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -83.7 | 135.2 | -177.6 | -63.9 | -172.6 | -157.9 | 0 | 0 | 111.9 | L197 V378 R387 M390 | L197-M382 HydrophobicContact CB-CE 3.77Å; L197-M382 HydrophobicContact CD1-CE 3.22Å; L197-M382 HydrophobicContact CD1-CG 4.02Å; L197-M382 HydrophobicContact CD1-SD 4.41Å; L197-M382 HydrophobicContact CD2-CE 3.49Å; L197-M382 VanDerWaalsContact CD2-CE 3.49Å; L197-M382 HydrophobicContact CG-CE 3.61Å; V378-M382 HydrophobicContact CB-CE 3.68Å; V378-M382 HydrophobicContact CB-SD 4.39Å; V378-M382 HydrophobicContact CG1-CE 3.72Å; V378-M382 HydrophobicContact CG1-SD 3.92Å; V378-M382 HydrophobicContact CG2-CE 3.4Å; V378-M382 VanDerWaalsContact CG2-CE 3.4Å; V378-M382 WeakPolarHBondContact O-CB 3.4Å; M382-R387 HydrophobicContact CB-CB 4.09Å; M382-M390 HydrophobicContact CE-CB 3.45Å; M382-M390 VanDerWaalsContact CE-CB 3.45Å; M382-M390 HydrophobicContact CE-CE 3.77Å; M382-M390 HydrophobicContact CE-CG 3.23Å; M382-M390 HydrophobicContact CE-SD 4.22Å; M382-M390 HydrophobicContact SD-CB 3.49Å; M382-M390 WeakPolarHBondContact SD-CB 3.31Å; M382-M390 HydrophobicContact SD-CG 3.4Å; M382-M390 WeakPolarHBondContact SD-CG 3.36Å |
| 383 | P | 92.7 | Very high | 92.6 | Very high | 68 Ų | 68 | 21.5 Ų | 21.5 | 44% | 0.442 | 12% | 0.121 | S | C | . | . | P | Polyproline II helix | trans | -69.8 | 166.7 | 172.1 | 31.6 | -35.4 | 0 | 0 | 0 | 111.1 | L386 R387 | P383-L386 HydrophobicContact CG-CB 4.16Å; P383-L386 HydrophobicContact CG-CD1 3.75Å; P383-L386 HydrophobicContact CG-CG 4.17Å; P383-L386 PolarHBondContact O-N 3.16Å; P383-R387 PolarHBondContact O-N 2.98Å |
| 384 | S | 90.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 21.6 Ų | 21.6 | 34% | 0.343 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 145.2 | 175.3 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | N4 L386 | N4-S384 PolarHBondContact ND2-OG 3.47Å; S384-L386 VanDerWaalsContact C-N 3.29Å; S384-L386 PolarHBondContact O-N 2.96Å |
| 385 | G | 90.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 13% | 0.134 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -56.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112 | D7 G388 L389 | D7-G385 PolarHBondContact OD1-N 3.12Å; G385-G388 WeakPolarHBondContact O-CA 3.4Å; G385-G388 PolarHBondContact O-N 3.34Å; G385-L389 PolarHBondContact O-N 2.98Å |
| 386 | L | 92.7 | Very high | 92.2 | Very high | 55 Ų | 55 | 22 Ų | 22 | 29% | 0.288 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -68.3 | -35.7 | 176.1 | -69.5 | -175.2 | 0 | 0 | 0 | 112.3 | I196 I200 P383 S384 G388 L389 M390 | I196-L386 HydrophobicContact CD1-CD2 4.29Å; I196-L386 HydrophobicContact CG2-CD1 3.85Å; I196-L386 HydrophobicContact CG2-CD2 4.21Å; I200-L386 HydrophobicContact CD1-CD1 4.05Å; P383-L386 HydrophobicContact CG-CB 4.16Å; P383-L386 HydrophobicContact CG-CD1 3.75Å; P383-L386 HydrophobicContact CG-CG 4.17Å; P383-L386 PolarHBondContact O-N 3.16Å; S384-L386 VanDerWaalsContact C-N 3.29Å; S384-L386 PolarHBondContact O-N 2.96Å; L386-G388 VanDerWaalsContact C-N 3.34Å; L386-L389 HydrophobicContact CD2-CD2 4.2Å; L386-L389 WeakPolarHBondContact O-CB 3.34Å; L386-L389 PolarHBondContact O-N 3.27Å; L386-M390 PolarHBondContact O-N 3.46Å |
| 387 | R | 91.2 | Very high | 92.2 | Very high | 21 Ų | 21 | 19.9 Ų | 19.9 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 169.8 | -177.3 | 176.3 | 63.3 | -166.5 | 2.8 | 111.4 | M1 D7 V378 M382 P383 L389 M390 L391 | M1-R387 PolarHBondContact SD-NH1 2.75Å; D7-R387 IonicContact OD1-NE 2.67Å; D7-R387 IonicContact OD2-CZ 3.43Å; D7-R387 VanDerWaalsContact OD2-CZ 3.23Å; D7-R387 IonicContact OD2-NE 2.71Å; D7-R387 PolarHBondContact OD2-NE 3.05Å; D7-R387 IonicContact OD2-NH2 2.65Å; D7-R387 PolarHBondContact OD2-NH2 2.68Å; V378-R387 HydrophobicContact CG1-CG 4.4Å; M382-R387 HydrophobicContact CB-CB 4.09Å; P383-R387 PolarHBondContact O-N 2.98Å; R387-L389 PolarHBondContact O-N 2.96Å; R387-M390 PolarHBondContact O-N 3.44Å; R387-M390 VanDerWaalsContact O-N 3.16Å; R387-L391 HydrophobicContact CG-CD1 4.47Å; R387-L391 WeakPolarHBondContact O-CG 3.49Å; R387-L391 PolarHBondContact O-N 2.95Å |
| 388 | G | 91.7 | Very high | 92 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.4 | -44.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | D7 G385 L386 M390 L391 A392 | D7-G388 PolarHBondContact OD1-N 2.96Å; G385-G388 WeakPolarHBondContact O-CA 3.4Å; G385-G388 PolarHBondContact O-N 3.34Å; L386-G388 VanDerWaalsContact C-N 3.34Å; G388-M390 VanDerWaalsContact C-N 3.26Å; G388-M390 PolarHBondContact O-N 3.13Å; G388-L391 WeakPolarHBondContact O-CB 3.45Å; G388-L391 PolarHBondContact O-N 3.47Å; G388-A392 PolarHBondContact O-N 2.98Å |
| 389 | L | 92.8 | Very high | 91.9 | Very high | 39 Ų | 39 | 19.9 Ų | 19.9 | 20% | 0.204 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.1 | -41.9 | 174.3 | 176.8 | 64.9 | 0 | 0 | 0 | 111 | V10 I196 G385 L386 R387 A392 V393 | V10-L389 HydrophobicContact CG1-CB 3.98Å; V10-L389 HydrophobicContact CG1-CD1 4.49Å; I196-L389 HydrophobicContact CD1-CD2 3.93Å; G385-L389 PolarHBondContact O-N 2.98Å; L386-L389 HydrophobicContact CD2-CD2 4.2Å; L386-L389 WeakPolarHBondContact O-CB 3.34Å; L386-L389 PolarHBondContact O-N 3.27Å; R387-L389 PolarHBondContact O-N 2.96Å; L389-A392 CarbonylContact O-C 3.59Å; L389-A392 WeakPolarHBondContact O-CA 3.44Å; L389-A392 VanDerWaalsContact O-CB 3.32Å; L389-A392 WeakPolarHBondContact O-CB 3.3Å; L389-A392 PolarHBondContact O-N 2.93Å; L389-V393 HydrophobicContact CG-CG2 4.45Å; L389-V393 WeakPolarHBondContact O-CG2 3.23Å; L389-V393 PolarHBondContact O-N 3.44Å |
| 390 | M | 93.5 | Very high | 92 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -77.4 | -27.6 | -177.4 | -77.8 | -68.5 | -64.9 | 0 | 0 | 114 | G193 L197 Y374 V378 M382 L386 R387 G388 A392 V393 M394 | G193-M390 WeakPolarHBondContact CA-SD 3.16Å; L197-M390 HydrophobicContact CB-CE 4.05Å; L197-M390 HydrophobicContact CD2-CE 3.78Å; Y374-M390 HydrophobicContact CE1-CE 3.57Å; Y374-M390 WeakPolarHBondContact OH-CE 3.17Å; V378-M390 HydrophobicContact CG1-CB 3.86Å; V378-M390 HydrophobicContact CG2-CB 4.49Å; V378-M390 HydrophobicContact CG2-CE 4.33Å; M382-M390 HydrophobicContact CE-CB 3.45Å; M382-M390 VanDerWaalsContact CE-CB 3.45Å; M382-M390 HydrophobicContact CE-CE 3.77Å; M382-M390 HydrophobicContact CE-CG 3.23Å; M382-M390 HydrophobicContact CE-SD 4.22Å; M382-M390 HydrophobicContact SD-CB 3.49Å; M382-M390 WeakPolarHBondContact SD-CB 3.31Å; M382-M390 HydrophobicContact SD-CG 3.4Å; M382-M390 WeakPolarHBondContact SD-CG 3.36Å; L386-M390 PolarHBondContact O-N 3.46Å; R387-M390 PolarHBondContact O-N 3.44Å; R387-M390 VanDerWaalsContact O-N 3.16Å; G388-M390 VanDerWaalsContact C-N 3.26Å; G388-M390 PolarHBondContact O-N 3.13Å; M390-A392 VanDerWaalsContact C-N 3.33Å; M390-V393 HydrophobicContact CE-CG1 4.48Å; M390-V393 PolarHBondContact O-N 3.29Å; M390-V393 HydrophobicContact SD-CB 3.85Å; M390-V393 HydrophobicContact SD-CG1 4.07Å; M390-V393 HydrophobicContact SD-CG2 3.74Å; M390-M394 HydrophobicContact CE-CE 4.33Å; M390-M394 WeakPolarHBondContact O-CG 3.35Å; M390-M394 PolarHBondContact O-N 3.06Å |
| 391 | L | 90.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 163.6 | -67.6 | 162.8 | 0 | 0 | 0 | 110.8 | L3 L11 F147 A151 R387 G388 V393 M394 L395 | L3-L391 HydrophobicContact CD1-CD1 4.38Å; L3-L391 HydrophobicContact CD2-CD1 3.31Å; L3-L391 HydrophobicContact CG-CD1 4.49Å; L11-L391 HydrophobicContact CD1-CB 4.4Å; F147-L391 HydrophobicContact CE1-CD2 3.48Å; F147-L391 VanDerWaalsContact CE1-CD2 3.48Å; F147-L391 HydrophobicContact CE2-CD2 4.47Å; F147-L391 HydrophobicContact CZ-CD2 3.36Å; F147-L391 HydrophobicContact CZ-CG 4.22Å; A151-L391 HydrophobicContact CB-CD2 3.39Å; R387-L391 HydrophobicContact CG-CD1 4.47Å; R387-L391 WeakPolarHBondContact O-CG 3.49Å; R387-L391 PolarHBondContact O-N 2.95Å; G388-L391 WeakPolarHBondContact O-CB 3.45Å; G388-L391 PolarHBondContact O-N 3.47Å; L391-V393 VanDerWaalsContact C-N 3.33Å; L391-V393 PolarHBondContact O-N 2.9Å; L391-M394 PolarHBondContact O-N 3.37Å; L391-L395 WeakPolarHBondContact O-CB 3.46Å; L391-L395 VanDerWaalsContact O-CG 3.28Å; L391-L395 WeakPolarHBondContact O-CG 3.28Å; L391-L395 PolarHBondContact O-N 3.32Å |
| 392 | A | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y14 G388 L389 M390 L395 A396 | Y14-A392 HydrophobicContact CD1-CB 3.69Å; Y14-A392 HydrophobicContact CD2-CB 4.14Å; Y14-A392 HydrophobicContact CE1-CB 4.36Å; Y14-A392 HydrophobicContact CG-CB 3.57Å; G388-A392 PolarHBondContact O-N 2.98Å; L389-A392 CarbonylContact O-C 3.59Å; L389-A392 WeakPolarHBondContact O-CA 3.44Å; L389-A392 VanDerWaalsContact O-CB 3.32Å; L389-A392 WeakPolarHBondContact O-CB 3.3Å; L389-A392 PolarHBondContact O-N 2.93Å; M390-A392 VanDerWaalsContact C-N 3.33Å; A392-L395 PolarHBondContact O-N 3.45Å; A392-A396 VanDerWaalsContact O-CB 3.26Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 2.98Å |
| 393 | V | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | F63 V189 M190 L389 M390 L391 A396 A397 | F63-V393 HydrophobicContact CE2-CG1 4.37Å; F63-V393 HydrophobicContact CZ-CG1 4.03Å; V189-V393 HydrophobicContact CG1-CB 4.49Å; V189-V393 HydrophobicContact CG1-CG2 3.64Å; V189-V393 WeakPolarHBondContact O-CG2 3.45Å; M190-V393 HydrophobicContact CB-CG1 4.35Å; M190-V393 HydrophobicContact CG-CG1 4.09Å; L389-V393 HydrophobicContact CG-CG2 4.45Å; L389-V393 WeakPolarHBondContact O-CG2 3.23Å; L389-V393 PolarHBondContact O-N 3.44Å; M390-V393 HydrophobicContact CE-CG1 4.48Å; M390-V393 PolarHBondContact O-N 3.29Å; M390-V393 HydrophobicContact SD-CB 3.85Å; M390-V393 HydrophobicContact SD-CG1 4.07Å; M390-V393 HydrophobicContact SD-CG2 3.74Å; L391-V393 VanDerWaalsContact C-N 3.33Å; L391-V393 PolarHBondContact O-N 2.9Å; V393-A396 WeakPolarHBondContact O-CB 3.33Å; V393-A396 PolarHBondContact O-N 3.18Å; V393-A397 PolarHBondContact O-N 3.44Å |
| 394 | M | 91.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 176.2 | -64.8 | -57 | 88.3 | 0 | 0 | 111.6 | F63 F147 Y374 M390 L391 A396 A397 L398 | F63-M394 HydrophobicContact CB-CE 3.82Å; F63-M394 HydrophobicContact CB-SD 3.39Å; F63-M394 WeakPolarHBondContact CB-SD 3.22Å; F63-M394 HydrophobicContact CD1-CE 3.45Å; F63-M394 VanDerWaalsContact CD1-CE 3.45Å; F63-M394 HydrophobicContact CD1-SD 4.16Å; F63-M394 HydrophobicContact CD2-CE 3.28Å; F63-M394 HydrophobicContact CD2-SD 3.87Å; F63-M394 HydrophobicContact CE1-CE 3.68Å; F63-M394 HydrophobicContact CE2-CE 3.52Å; F63-M394 HydrophobicContact CG-CE 3.21Å; F63-M394 HydrophobicContact CG-SD 3.55Å; F63-M394 VanDerWaalsContact CG-SD 3.55Å; F63-M394 HydrophobicContact CZ-CE 3.7Å; F147-M394 HydrophobicContact CD1-CB 3.58Å; F147-M394 HydrophobicContact CD1-CG 3.74Å; F147-M394 HydrophobicContact CD2-CG 3.8Å; F147-M394 HydrophobicContact CE1-CB 3.37Å; F147-M394 HydrophobicContact CE1-CG 3.42Å; F147-M394 VanDerWaalsContact CE1-CG 3.42Å; F147-M394 HydrophobicContact CE2-CB 4.4Å; F147-M394 HydrophobicContact CE2-CG 3.52Å; F147-M394 HydrophobicContact CG-CB 4.16Å; F147-M394 HydrophobicContact CG-CG 3.91Å; F147-M394 HydrophobicContact CZ-CB 3.83Å; F147-M394 HydrophobicContact CZ-CG 3.31Å; Y374-M394 HydrophobicContact CD1-SD 4.21Å; Y374-M394 HydrophobicContact CE1-CE 3.88Å; Y374-M394 HydrophobicContact CE1-SD 4.08Å; M390-M394 HydrophobicContact CE-CE 4.33Å; M390-M394 WeakPolarHBondContact O-CG 3.35Å; M390-M394 PolarHBondContact O-N 3.06Å; L391-M394 PolarHBondContact O-N 3.37Å; M394-A396 VanDerWaalsContact C-N 3.3Å; M394-A396 PolarHBondContact O-N 2.94Å; M394-A397 PolarHBondContact O-N 3.25Å; M394-L398 WeakPolarHBondContact O-CB 3.32Å; M394-L398 WeakPolarHBondContact O-CD1 3.41Å; M394-L398 VanDerWaalsContact O-CG 3.3Å; M394-L398 WeakPolarHBondContact O-CG 3.39Å; M394-L398 PolarHBondContact O-N 3Å |
| 395 | L | 90.8 | Very high | 92 | Very high | 10 Ų | 10 | 7.1 Ų | 7.1 | 5% | 0.052 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.4 | -35.9 | 174.7 | -69.8 | 167.9 | 0 | 0 | 0 | 111.7 | L11 Y14 F15 L148 L163 L391 A392 I399 | L11-L395 HydrophobicContact CD1-CD1 3.95Å; Y14-L395 HydrophobicContact CE1-CB 4.39Å; F15-L395 HydrophobicContact CE2-CD1 4.05Å; F15-L395 HydrophobicContact CZ-CD1 3.91Å; L148-L395 HydrophobicContact CD2-CD2 4.32Å; L163-L395 HydrophobicContact CD2-CD2 3.48Å; L163-L395 VanDerWaalsContact CD2-CD2 3.48Å; L391-L395 WeakPolarHBondContact O-CB 3.46Å; L391-L395 VanDerWaalsContact O-CG 3.28Å; L391-L395 WeakPolarHBondContact O-CG 3.28Å; L391-L395 PolarHBondContact O-N 3.32Å; A392-L395 PolarHBondContact O-N 3.45Å; L395-I399 WeakPolarHBondContact O-CB 3.36Å; L395-I399 WeakPolarHBondContact O-CD1 3.49Å; L395-I399 WeakPolarHBondContact O-CG1 3.5Å; L395-I399 PolarHBondContact O-N 3.43Å |
| 396 | A | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.2 | -49.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y14 Q186 M190 A392 V393 M394 L398 I399 S400 | Y14-A396 HydrophobicContact CE2-CB 3.93Å; Y14-A396 WeakPolarHBondContact OH-CA 3.27Å; Y14-A396 VanDerWaalsContact OH-CB 3.24Å; Y14-A396 WeakPolarHBondContact OH-CB 3.41Å; Y14-A396 PolarHBondContact OH-N 3.29Å; Q186-A396 HydrophobicContact CB-CB 4Å; Q186-A396 HydrophobicContact CG-CB 3.84Å; Q186-A396 PolarHBondContact NE2-O 2.79Å; M190-A396 HydrophobicContact CG-CB 4.37Å; A392-A396 VanDerWaalsContact O-CB 3.26Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 2.98Å; V393-A396 WeakPolarHBondContact O-CB 3.33Å; V393-A396 PolarHBondContact O-N 3.18Å; M394-A396 VanDerWaalsContact C-N 3.3Å; M394-A396 PolarHBondContact O-N 2.94Å; A396-L398 VanDerWaalsContact C-N 3.31Å; A396-L398 PolarHBondContact O-N 3.3Å; A396-I399 PolarHBondContact O-N 2.97Å; A396-S400 WeakPolarHBondContact O-CB 3.42Å; A396-S400 PolarHBondContact O-N 3.46Å |
| 397 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | F63 M190 V393 M394 D401 | F63-A397 HydrophobicContact CD2-CB 4Å; F63-A397 HydrophobicContact CE2-CB 3.9Å; M190-A397 HydrophobicContact SD-CB 3.66Å; V393-A397 PolarHBondContact O-N 3.44Å; M394-A397 PolarHBondContact O-N 3.25Å; A397-D401 PolarHBondContact O-N 3.18Å; A397-D401 VanDerWaalsContact O-N 3.08Å |
| 398 | L | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.9 | -51.1 | 177.8 | -78.1 | 163.5 | 0 | 0 | 0 | 113.4 | S60 N140 L163 M394 A396 L402 | S60-L398 WeakPolarHBondContact OG-CD2 3.24Å; N140-L398 VanDerWaalsContact O-CD2 3.23Å; N140-L398 WeakPolarHBondContact O-CD2 3.27Å; L163-L398 HydrophobicContact CD1-CD1 4.12Å; L163-L398 HydrophobicContact CD2-CD1 3.73Å; M394-L398 WeakPolarHBondContact O-CB 3.32Å; M394-L398 WeakPolarHBondContact O-CD1 3.41Å; M394-L398 VanDerWaalsContact O-CG 3.3Å; M394-L398 WeakPolarHBondContact O-CG 3.39Å; M394-L398 PolarHBondContact O-N 3Å; A396-L398 VanDerWaalsContact C-N 3.31Å; A396-L398 PolarHBondContact O-N 3.3Å; L398-L402 WeakPolarHBondContact O-CB 3.14Å; L398-L402 VanDerWaalsContact O-CG 3.32Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 3.1Å |
| 399 | I | 90.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 1% | 0.005 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | -176.8 | -68.3 | 166.4 | 0 | 0 | 0 | 110 | F15 L18 I170 L395 A396 T403 | F15-I399 HydrophobicContact CE1-CD1 4.14Å; L18-I399 HydrophobicContact CD2-CD1 4.05Å; I170-I399 HydrophobicContact CD1-CD1 4.21Å; I170-I399 HydrophobicContact CD1-CG2 3.77Å; L395-I399 WeakPolarHBondContact O-CB 3.36Å; L395-I399 WeakPolarHBondContact O-CD1 3.49Å; L395-I399 WeakPolarHBondContact O-CG1 3.5Å; L395-I399 PolarHBondContact O-N 3.43Å; A396-I399 PolarHBondContact O-N 2.97Å; I399-T403 HydrophobicContact CG2-CG2 4.04Å; I399-T403 WeakPolarHBondContact O-CB 3.32Å; I399-T403 WeakPolarHBondContact O-CG2 3.46Å; I399-T403 PolarHBondContact O-N 2.99Å; I399-T403 PolarHBondContact O-OG1 3.49Å |
| 400 | S | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -56.2 | -52.8 | 176 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A55 Q186 A396 T403 S404 | A55-S400 WeakPolarHBondContact CB-OG 3.05Å; A55-S400 PolarHBondContact O-OG 2.87Å; Q186-S400 VanDerWaalsContact OE1-CB 3.32Å; A396-S400 WeakPolarHBondContact O-CB 3.42Å; A396-S400 PolarHBondContact O-N 3.46Å; S400-T403 PolarHBondContact O-OG1 3.42Å; S400-S404 WeakPolarHBondContact O-CB 3.43Å; S400-S404 PolarHBondContact O-N 2.98Å; S400-S404 PolarHBondContact O-OG 3.48Å |
| 401 | D | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 2.3 Ų | 2.3 | 1% | 0.005 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -68.4 | -44.7 | -176.2 | -162.9 | 5.4 | 0 | 0 | 0 | 111.8 | N140 M304 A397 T403 S404 I405 | N140-D401 PolarHBondContact ND2-OD2 3.43Å; M304-D401 VanDerWaalsContact CE-OD1 3.32Å; M304-D401 WeakPolarHBondContact CE-OD1 3.26Å; A397-D401 PolarHBondContact O-N 3.18Å; A397-D401 VanDerWaalsContact O-N 3.08Å; D401-T403 PolarHBondContact O-N 3.43Å; D401-S404 VanDerWaalsContact O-CB 3.25Å; D401-S404 WeakPolarHBondContact O-CB 3.2Å; D401-S404 PolarHBondContact O-N 3.42Å; D401-S404 VanDerWaalsContact O-N 3.13Å; D401-I405 WeakPolarHBondContact O-CD1 3.39Å; D401-I405 VanDerWaalsContact O-CG1 3.31Å; D401-I405 WeakPolarHBondContact O-CG1 3.19Å; D401-I405 PolarHBondContact O-N 2.92Å |
| 402 | L | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.3 | -70.1 | 173.1 | 0 | 0 | 0 | 113 | I137 N140 L141 T167 L398 S404 I405 F406 | I137-L402 HydrophobicContact CG1-CD2 4.3Å; I137-L402 HydrophobicContact CG2-CD2 4.25Å; N140-L402 HydrophobicContact CB-CD2 4.08Å; L141-L402 HydrophobicContact CD2-CD1 3.94Å; L141-L402 HydrophobicContact CD2-CD2 4.37Å; L141-L402 HydrophobicContact CG-CD2 4.5Å; T167-L402 HydrophobicContact CG2-CB 3.62Å; T167-L402 HydrophobicContact CG2-CD1 4.26Å; L398-L402 WeakPolarHBondContact O-CB 3.14Å; L398-L402 VanDerWaalsContact O-CG 3.32Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 3.1Å; L402-S404 VanDerWaalsContact C-N 3.26Å; L402-S404 PolarHBondContact O-N 3.25Å; L402-I405 PolarHBondContact O-N 3.25Å; L402-F406 HydrophobicContact CB-CE2 4.16Å; L402-F406 HydrophobicContact CB-CZ 4.22Å; L402-F406 HydrophobicContact CD2-CE1 4.44Å; L402-F406 HydrophobicContact CD2-CZ 4.16Å; L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 WeakPolarHBondContact O-CD1 3.29Å; L402-F406 WeakPolarHBondContact O-CD2 3.11Å; L402-F406 WeakPolarHBondContact O-CG 3Å; L402-F406 PolarHBondContact O-N 3.42Å |
| 403 | T | 90.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.006 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 176.1 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | T167 T171 I399 S400 D401 N407 | T167-T403 HydrophobicContact CG2-CG2 4.05Å; T171-T403 WeakPolarHBondContact OG1-CG2 3.46Å; I399-T403 HydrophobicContact CG2-CG2 4.04Å; I399-T403 WeakPolarHBondContact O-CB 3.32Å; I399-T403 WeakPolarHBondContact O-CG2 3.46Å; I399-T403 PolarHBondContact O-N 2.99Å; I399-T403 PolarHBondContact O-OG1 3.49Å; S400-T403 PolarHBondContact O-OG1 3.42Å; D401-T403 PolarHBondContact O-N 3.43Å; T403-N407 WeakPolarHBondContact O-CB 3.31Å; T403-N407 PolarHBondContact O-N 3.27Å |
| 404 | S | 91.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -62.4 | -49 | 175.5 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | S56 R308 S400 D401 L402 N407 S408 | S56-S404 WeakPolarHBondContact CB-OG 3.4Å; S56-S404 PolarHBondContact OG-OG 2.97Å; R308-S404 VanDerWaalsContact CZ-OG 3.25Å; R308-S404 PolarHBondContact NH2-OG 3.22Å; S400-S404 WeakPolarHBondContact O-CB 3.43Å; S400-S404 PolarHBondContact O-N 2.98Å; S400-S404 PolarHBondContact O-OG 3.48Å; D401-S404 VanDerWaalsContact O-CB 3.25Å; D401-S404 WeakPolarHBondContact O-CB 3.2Å; D401-S404 PolarHBondContact O-N 3.42Å; D401-S404 VanDerWaalsContact O-N 3.13Å; L402-S404 VanDerWaalsContact C-N 3.26Å; L402-S404 PolarHBondContact O-N 3.25Å; S404-N407 PolarHBondContact O-N 3.37Å; S404-S408 WeakPolarHBondContact O-CB 3.36Å; S404-S408 PolarHBondContact O-N 2.93Å; S404-S408 PolarHBondContact O-OG 3.04Å |
| 405 | I | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66.2 | -44 | 179.7 | -58 | 154 | 0 | 0 | 0 | 110 | Y132 K136 I137 N140 M304 D401 L402 N407 S408 A409 | Y132-I405 HydrophobicContact CD1-CG2 4.49Å; Y132-I405 HydrophobicContact CD2-CG2 3.93Å; Y132-I405 HydrophobicContact CE2-CG2 4.45Å; Y132-I405 HydrophobicContact CG-CG2 3.94Å; K136-I405 HydrophobicContact CB-CD1 3.71Å; K136-I405 HydrophobicContact CB-CG1 4.25Å; I137-I405 HydrophobicContact CD1-CB 4.35Å; I137-I405 HydrophobicContact CD1-CG2 3.49Å; I137-I405 VanDerWaalsContact CD1-CG2 3.49Å; I137-I405 HydrophobicContact CG1-CB 4.23Å; I137-I405 HydrophobicContact CG1-CD1 4.03Å; I137-I405 HydrophobicContact CG1-CG2 3.68Å; N140-I405 VanDerWaalsContact ND2-CD1 3.34Å; N140-I405 WeakPolarHBondContact ND2-CD1 3.48Å; M304-I405 HydrophobicContact CE-CG1 4.2Å; D401-I405 WeakPolarHBondContact O-CD1 3.39Å; D401-I405 VanDerWaalsContact O-CG1 3.31Å; D401-I405 WeakPolarHBondContact O-CG1 3.19Å; D401-I405 PolarHBondContact O-N 2.92Å; L402-I405 PolarHBondContact O-N 3.25Å; I405-N407 PolarHBondContact O-N 3.38Å; I405-S408 PolarHBondContact O-N 2.92Å; I405-A409 WeakPolarHBondContact O-CB 3.27Å; I405-A409 PolarHBondContact O-N 3.5Å |
| 406 | F | 90.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 5.1 Ų | 5.1 | 2% | 0.018 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 179.7 | -63.9 | -16.9 | 0 | 0 | 0 | 112.6 | I137 L164 T167 T171 L402 S410 V438 I442 | I137-F406 HydrophobicContact CD1-CD1 4Å; I137-F406 HydrophobicContact CD1-CE1 3.68Å; I137-F406 HydrophobicContact CG1-CE1 4.11Å; I137-F406 HydrophobicContact CG2-CE1 4.46Å; L164-F406 HydrophobicContact CD2-CZ 4.39Å; T167-F406 HydrophobicContact CG2-CD2 4.13Å; T167-F406 HydrophobicContact CG2-CE2 3.68Å; T171-F406 HydrophobicContact CG2-CB 4.24Å; T171-F406 HydrophobicContact CG2-CD2 4.37Å; L402-F406 HydrophobicContact CB-CE2 4.16Å; L402-F406 HydrophobicContact CB-CZ 4.22Å; L402-F406 HydrophobicContact CD2-CE1 4.44Å; L402-F406 HydrophobicContact CD2-CZ 4.16Å; L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 WeakPolarHBondContact O-CD1 3.29Å; L402-F406 WeakPolarHBondContact O-CD2 3.11Å; L402-F406 WeakPolarHBondContact O-CG 3Å; L402-F406 PolarHBondContact O-N 3.42Å; F406-S410 WeakPolarHBondContact O-CB 3.41Å; F406-S410 PolarHBondContact O-N 3.37Å; F406-S410 PolarHBondContact O-OG 3.1Å; F406-V438 HydrophobicContact CB-CG1 3.98Å; F406-V438 HydrophobicContact CB-CG2 4.09Å; F406-V438 HydrophobicContact CD1-CG1 3.76Å; F406-V438 HydrophobicContact CD2-CG1 3.9Å; F406-V438 HydrophobicContact CE1-CG1 4.22Å; F406-V438 HydrophobicContact CE2-CG1 4.33Å; F406-V438 HydrophobicContact CG-CG1 3.6Å; F406-V438 HydrophobicContact CZ-CG1 4.49Å; F406-I442 HydrophobicContact CE1-CD1 3.97Å; F406-I442 HydrophobicContact CE1-CG1 3.64Å; F406-I442 HydrophobicContact CE2-CD1 3.93Å; F406-I442 HydrophobicContact CE2-CG1 4.45Å; F406-I442 HydrophobicContact CZ-CD1 3.49Å; F406-I442 VanDerWaalsContact CZ-CD1 3.49Å; F406-I442 HydrophobicContact CZ-CG1 3.54Å |
| 407 | N | 87.1 | Confident | 90.9 | Very high | 11 Ų | 11 | 5.7 Ų | 5.7 | 6% | 0.059 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 175.9 | -172.6 | -93.3 | 0 | 0 | 0 | 111.8 | Q307 T403 S404 I405 S410 T411 | Q307-N407 PolarHBondContact NE2-OD1 2.94Å; T403-N407 WeakPolarHBondContact O-CB 3.31Å; T403-N407 PolarHBondContact O-N 3.27Å; S404-N407 PolarHBondContact O-N 3.37Å; I405-N407 PolarHBondContact O-N 3.38Å; N407-S410 WeakPolarHBondContact O-CB 3.42Å; N407-S410 PolarHBondContact O-N 3.47Å; N407-T411 WeakPolarHBondContact O-CB 3.47Å; N407-T411 PolarHBondContact O-N 2.94Å; N407-T411 PolarHBondContact O-OG1 3.42Å |
| 408 | S | 91.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -70.3 | -45.2 | -178.3 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | M304 S404 I405 S410 T411 L412 | M304-S408 WeakPolarHBondContact CA-OG 3.3Å; S404-S408 WeakPolarHBondContact O-CB 3.36Å; S404-S408 PolarHBondContact O-N 2.93Å; S404-S408 PolarHBondContact O-OG 3.04Å; I405-S408 PolarHBondContact O-N 2.92Å; S408-S410 VanDerWaalsContact C-N 3.34Å; S408-S410 PolarHBondContact O-N 3.21Å; S408-T411 PolarHBondContact O-N 3.14Å; S408-L412 VanDerWaalsContact O-CB 3.26Å; S408-L412 WeakPolarHBondContact O-CB 3.17Å; S408-L412 PolarHBondContact O-N 2.84Å |
| 409 | A | 92 | Very high | 90.6 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.008 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L129 Y132 I405 F413 F437 L441 | L129-A409 HydrophobicContact CD2-CB 3.99Å; Y132-A409 HydrophobicContact CD2-CB 3.85Å; Y132-A409 HydrophobicContact CE2-CB 4.23Å; I405-A409 WeakPolarHBondContact O-CB 3.27Å; I405-A409 PolarHBondContact O-N 3.5Å; A409-F413 VanDerWaalsContact O-CB 3.31Å; A409-F413 WeakPolarHBondContact O-CB 3.16Å; A409-F413 PolarHBondContact O-N 3.45Å; A409-F437 HydrophobicContact CB-CE1 4.33Å; A409-L441 HydrophobicContact CB-CD1 3.82Å |
| 410 | S | 88.8 | Confident | 90.4 | Very high | 8 Ų | 8 | 14.7 Ų | 14.7 | 6% | 0.056 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 173.7 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | F406 N407 S408 T414 V438 | F406-S410 WeakPolarHBondContact O-CB 3.41Å; F406-S410 PolarHBondContact O-N 3.37Å; F406-S410 PolarHBondContact O-OG 3.1Å; N407-S410 WeakPolarHBondContact O-CB 3.42Å; N407-S410 PolarHBondContact O-N 3.47Å; S408-S410 VanDerWaalsContact C-N 3.34Å; S408-S410 PolarHBondContact O-N 3.21Å; S410-T414 VanDerWaalsContact O-CB 3.32Å; S410-T414 WeakPolarHBondContact O-CB 3.48Å; S410-T414 WeakPolarHBondContact O-CG2 3.36Å; S410-T414 PolarHBondContact O-N 3.33Å; S410-T414 PolarHBondContact O-OG1 3.48Å; S410-V438 WeakPolarHBondContact OG-CG2 3Å |
| 411 | T | 87.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -50.3 | -179.7 | -52.2 | 0 | 0 | 0 | 0 | 110.1 | F38 T106 Q307 N407 S408 F413 T414 V415 | F38-T411 HydrophobicContact CB-CG2 4.33Å; F38-T411 HydrophobicContact CD1-CG2 4.19Å; F38-T411 WeakPolarHBondContact CD1-OG1 3.4Å; F38-T411 HydrophobicContact CG-CG2 4.2Å; T106-T411 HydrophobicContact CG2-CG2 3.93Å; Q307-T411 PolarHBondContact NE2-OG1 2.88Å; N407-T411 WeakPolarHBondContact O-CB 3.47Å; N407-T411 PolarHBondContact O-N 2.94Å; N407-T411 PolarHBondContact O-OG1 3.42Å; S408-T411 PolarHBondContact O-N 3.14Å; T411-F413 PolarHBondContact O-N 3.48Å; T411-T414 PolarHBondContact O-N 3.31Å; T411-T414 PolarHBondContact O-OG1 3.27Å; T411-V415 HydrophobicContact CG2-CG2 4.11Å; T411-V415 VanDerWaalsContact O-CB 3.29Å; T411-V415 WeakPolarHBondContact O-CB 3.35Å; T411-V415 WeakPolarHBondContact O-CG2 3.4Å; T411-V415 PolarHBondContact O-N 2.93Å |
| 412 | L | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -58.7 | -47.3 | 179.4 | -173 | 65 | 0 | 0 | 0 | 112 | P108 A125 L129 S408 D416 | P108-L412 HydrophobicContact CG-CD1 3.63Å; A125-L412 HydrophobicContact CB-CD1 3.84Å; A125-L412 HydrophobicContact CB-CG 4.22Å; A125-L412 WeakPolarHBondContact O-CD2 3.25Å; L129-L412 HydrophobicContact CD2-CB 4.3Å; L129-L412 HydrophobicContact CD2-CD2 3.77Å; L129-L412 HydrophobicContact CD2-CG 4.25Å; L129-L412 HydrophobicContact CG-CD2 3.66Å; L129-L412 HydrophobicContact CG-CG 4.15Å; S408-L412 VanDerWaalsContact O-CB 3.26Å; S408-L412 WeakPolarHBondContact O-CB 3.17Å; S408-L412 PolarHBondContact O-N 2.84Å; L412-D416 WeakPolarHBondContact CA-OD2 3.46Å; L412-D416 HydrophobicContact CD1-CB 4.46Å; L412-D416 WeakPolarHBondContact CD1-OD2 3.43Å; L412-D416 WeakPolarHBondContact O-CB 3.03Å; L412-D416 PolarHBondContact O-N 2.63Å |
| 413 | F | 93.1 | Very high | 89.6 | Confident | 39 Ų | 39 | 35.8 Ų | 35.8 | 17% | 0.171 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -68.1 | -44.7 | 178 | -178.5 | -104.7 | 0 | 0 | 0 | 112.2 | L129 A409 T411 V417 Y418 V433 F437 | L129-F413 HydrophobicContact CD1-CB 4.2Å; L129-F413 HydrophobicContact CD1-CD2 4.15Å; A409-F413 VanDerWaalsContact O-CB 3.31Å; A409-F413 WeakPolarHBondContact O-CB 3.16Å; A409-F413 PolarHBondContact O-N 3.45Å; T411-F413 PolarHBondContact O-N 3.48Å; F413-V417 HydrophobicContact CD2-CB 3.98Å; F413-V417 HydrophobicContact CD2-CG1 4.13Å; F413-V417 HydrophobicContact CD2-CG2 4.35Å; F413-V417 HydrophobicContact CE2-CB 4.25Å; F413-V417 HydrophobicContact CE2-CG1 3.91Å; F413-V417 CarbonylContact O-C 3.59Å; F413-V417 WeakPolarHBondContact O-CA 3.26Å; F413-V417 VanDerWaalsContact O-CB 3.31Å; F413-V417 WeakPolarHBondContact O-CB 3.46Å; F413-V417 PolarHBondContact O-N 2.85Å; F413-Y418 HydrophobicContact CE1-CD2 4.37Å; F413-Y418 WeakPolarHBondContact O-CB 3.34Å; F413-Y418 PolarHBondContact O-N 2.76Å; F413-V433 HydrophobicContact CD1-CG1 4.35Å; F413-V433 HydrophobicContact CE1-CG1 3.75Å; F413-F437 HydrophobicContact CB-CD1 3.56Å; F413-F437 HydrophobicContact CB-CD2 4.32Å; F413-F437 HydrophobicContact CB-CE1 3.48Å; F413-F437 VanDerWaalsContact CB-CE1 3.48Å; F413-F437 HydrophobicContact CB-CE2 4.26Å; F413-F437 HydrophobicContact CB-CG 3.99Å; F413-F437 HydrophobicContact CB-CZ 3.86Å; F413-F437 HydrophobicContact CD1-CB 3.67Å; F413-F437 AromaticContact CD1-CD1 3.91Å; F413-F437 HydrophobicContact CD1-CD1 3.91Å; F413-F437 AromaticContact CD1-CD2 3.67Å; F413-F437 HydrophobicContact CD1-CD2 3.67Å; F413-F437 HydrophobicContact CD1-CE2 4.31Å; F413-F437 AromaticContact CD1-CG 3.44Å; F413-F437 HydrophobicContact CD1-CG 3.44Å; F413-F437 VanDerWaalsContact CD1-CG 3.44Å; F413-F437 HydrophobicContact CD2-CD1 4.41Å; F413-F437 AromaticContact CD2-CD2 3.63Å; F413-F437 HydrophobicContact CD2-CD2 3.63Å; F413-F437 HydrophobicContact CD2-CE1 4.26Å; F413-F437 AromaticContact CD2-CE2 3.45Å; F413-F437 HydrophobicContact CD2-CE2 3.45Å; F413-F437 VanDerWaalsContact CD2-CE2 3.45Å; F413-F437 HydrophobicContact CD2-CG 4.12Å; F413-F437 AromaticContact CD2-CZ 3.8Å; F413-F437 HydrophobicContact CD2-CZ 3.8Å; F413-F437 HydrophobicContact CE1-CB 3.89Å; F413-F437 AromaticContact CE1-CD2 3.78Å; F413-F437 HydrophobicContact CE1-CD2 3.78Å; F413-F437 AromaticContact CE1-CG 3.88Å; F413-F437 HydrophobicContact CE1-CG 3.88Å; F413-F437 AromaticContact CE2-CD2 3.74Å; F413-F437 HydrophobicContact CE2-CD2 3.74Å; F413-F437 AromaticContact CE2-CE2 3.78Å; F413-F437 HydrophobicContact CE2-CE2 3.78Å; F413-F437 HydrophobicContact CE2-CG 4.5Å; F413-F437 HydrophobicContact CG-CB 4.31Å; F413-F437 AromaticContact CG-CD1 3.7Å; F413-F437 HydrophobicContact CG-CD1 3.7Å; F413-F437 AromaticContact CG-CD2 3.59Å; F413-F437 HydrophobicContact CG-CD2 3.59Å; F413-F437 AromaticContact CG-CE1 3.85Å; F413-F437 HydrophobicContact CG-CE1 3.85Å; F413-F437 AromaticContact CG-CE2 3.74Å; F413-F437 HydrophobicContact CG-CE2 3.74Å; F413-F437 AromaticContact CG-CG 3.57Å; F413-F437 HydrophobicContact CG-CG 3.57Å; F413-F437 AromaticContact CG-CZ 3.87Å; F413-F437 HydrophobicContact CG-CZ 3.87Å; F413-F437 AromaticContact CZ-CD2 3.81Å; F413-F437 HydrophobicContact CZ-CD2 3.81Å; F413-F437 HydrophobicContact CZ-CE2 4.33Å; F413-F437 HydrophobicContact CZ-CG 4.39Å |
| 414 | T | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -69.9 | -49 | -176.1 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | F38 S410 T411 M419 I430 | F38-T414 WeakPolarHBondContact CZ-OG1 3.31Å; S410-T414 VanDerWaalsContact O-CB 3.32Å; S410-T414 WeakPolarHBondContact O-CB 3.48Å; S410-T414 WeakPolarHBondContact O-CG2 3.36Å; S410-T414 PolarHBondContact O-N 3.33Å; S410-T414 PolarHBondContact O-OG1 3.48Å; T411-T414 PolarHBondContact O-N 3.31Å; T411-T414 PolarHBondContact O-OG1 3.27Å; T414-M419 WeakPolarHBondContact O-CB 3.41Å; T414-M419 VanDerWaalsContact O-CG 3.26Å; T414-M419 WeakPolarHBondContact O-CG 3.4Å; T414-M419 PolarHBondContact O-N 3.02Å; T414-I430 HydrophobicContact CG2-CG2 3.88Å |
| 415 | V | 86.4 | Confident | 88.7 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -75.6 | -47 | -175.5 | 178.7 | 0 | 0 | 0 | 0 | 111 | T106 T411 | T106-V415 HydrophobicContact CG2-CB 4.04Å; T106-V415 HydrophobicContact CG2-CG1 3.98Å; T411-V415 HydrophobicContact CG2-CG2 4.11Å; T411-V415 VanDerWaalsContact O-CB 3.29Å; T411-V415 WeakPolarHBondContact O-CB 3.35Å; T411-V415 WeakPolarHBondContact O-CG2 3.4Å; T411-V415 PolarHBondContact O-N 2.93Å |
| 416 | D | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -91.4 | -26.9 | -169.2 | -53.1 | -61.9 | 0 | 0 | 0 | 113.5 | T106 H121 A125 L412 | T106-D416 WeakPolarHBondContact CB-OD2 3.27Å; T106-D416 WeakPolarHBondContact CG2-OD2 3.17Å; T106-D416 VanDerWaalsContact OG1-CG 3.3Å; T106-D416 PolarHBondContact OG1-OD1 3.17Å; T106-D416 PolarHBondContact OG1-OD2 3.11Å; H121-D416 IonicContact CD2-OD1 3.85Å; H121-D416 IonicContact CE1-OD1 3.85Å; H121-D416 WeakPolarHBondContact NE2-CB 3.16Å; H121-D416 IonicContact NE2-OD1 2.75Å; H121-D416 PolarHBondContact NE2-OD1 3.49Å; A125-D416 HydrophobicContact CB-CB 3.75Å; L412-D416 WeakPolarHBondContact CA-OD2 3.46Å; L412-D416 HydrophobicContact CD1-CB 4.46Å; L412-D416 WeakPolarHBondContact CD1-OD2 3.43Å; L412-D416 WeakPolarHBondContact O-CB 3.03Å; L412-D416 PolarHBondContact O-N 2.63Å |
| 417 | V | 91.8 | Very high | 87.7 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -109.8 | -58.4 | -177 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | M122 A125 L126 F413 K420 I421 | M122-V417 HydrophobicContact CE-CB 4.41Å; M122-V417 HydrophobicContact CE-CG1 4.19Å; M122-V417 HydrophobicContact CE-CG2 4Å; A125-V417 HydrophobicContact CB-CG2 4.24Å; L126-V417 HydrophobicContact CD2-CG2 4.45Å; F413-V417 HydrophobicContact CD2-CB 3.98Å; F413-V417 HydrophobicContact CD2-CG1 4.13Å; F413-V417 HydrophobicContact CD2-CG2 4.35Å; F413-V417 HydrophobicContact CE2-CB 4.25Å; F413-V417 HydrophobicContact CE2-CG1 3.91Å; F413-V417 CarbonylContact O-C 3.59Å; F413-V417 WeakPolarHBondContact O-CA 3.26Å; F413-V417 VanDerWaalsContact O-CB 3.31Å; F413-V417 WeakPolarHBondContact O-CB 3.46Å; F413-V417 PolarHBondContact O-N 2.85Å; V417-K420 WeakPolarHBondContact O-CB 3.06Å; V417-K420 PolarHBondContact O-N 3.08Å; V417-I421 HydrophobicContact CG1-CD1 4.16Å; V417-I421 WeakPolarHBondContact O-CG1 3.45Å; V417-I421 PolarHBondContact O-N 3.13Å |
| 418 | Y | 91.8 | Very high | 87.4 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -71.4 | -47.8 | -168.5 | -172.4 | -99.9 | 0 | 0 | 0 | 113 | F413 K420 I421 R422 A425 E429 V433 | F413-Y418 HydrophobicContact CE1-CD2 4.37Å; F413-Y418 WeakPolarHBondContact O-CB 3.34Å; F413-Y418 PolarHBondContact O-N 2.76Å; Y418-K420 PolarHBondContact O-N 3.14Å; Y418-K420 VanDerWaalsContact O-N 3.17Å; Y418-I421 PolarHBondContact O-N 3.37Å; Y418-I421 VanDerWaalsContact O-N 3.07Å; Y418-R422 HydrophobicContact CE1-CB 4.24Å; Y418-R422 PolarHBondContact O-N 2.76Å; Y418-A425 HydrophobicContact CE1-CB 4.2Å; Y418-E429 HydrophobicContact CE1-CG 4.19Å; Y418-E429 PolarHBondContact OH-OE1 2.95Å; Y418-V433 HydrophobicContact CD1-CG1 4.11Å; Y418-V433 HydrophobicContact CD2-CG1 3.65Å; Y418-V433 HydrophobicContact CE1-CB 4.37Å; Y418-V433 HydrophobicContact CE1-CG1 4.23Å; Y418-V433 HydrophobicContact CE1-CG2 3.93Å; Y418-V433 HydrophobicContact CE2-CB 4.48Å; Y418-V433 HydrophobicContact CE2-CG1 3.77Å; Y418-V433 HydrophobicContact CE2-CG2 3.97Å; Y418-V433 HydrophobicContact CG-CG1 3.81Å |
| 419 | M | 87.8 | Confident | 87.2 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 38% | 0.384 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -21.9 | 178 | -77 | 178.3 | 69.5 | 0 | 0 | 112.8 | T414 R422 K423 I430 | T414-M419 WeakPolarHBondContact O-CB 3.41Å; T414-M419 VanDerWaalsContact O-CG 3.26Å; T414-M419 WeakPolarHBondContact O-CG 3.4Å; T414-M419 PolarHBondContact O-N 3.02Å; M419-R422 CarbonylContact O-C 3.59Å; M419-K423 WeakPolarHBondContact O-CA 3.13Å; M419-K423 PolarHBondContact O-N 3.38Å; M419-I430 HydrophobicContact CE-CD1 4.5Å; M419-I430 HydrophobicContact CG-CD1 4.16Å; M419-I430 HydrophobicContact SD-CD1 3.9Å |
| 420 | K | 86 | Confident | 86.8 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -75.7 | -40 | 173.4 | -174.1 | 171.5 | 174.6 | 174.8 | 0 | 112.6 | E118 M122 V417 Y418 | E118-K420 WeakPolarHBondContact OE2-CE 3.3Å; E118-K420 IonicContact OE2-NZ 3.14Å; E118-K420 PolarHBondContact OE2-NZ 3.29Å; M122-K420 HydrophobicContact CG-CD 4.39Å; M122-K420 HydrophobicContact SD-CD 3.68Å; M122-K420 PolarHBondContact SD-NZ 3.3Å; V417-K420 WeakPolarHBondContact O-CB 3.06Å; V417-K420 PolarHBondContact O-N 3.08Å; Y418-K420 PolarHBondContact O-N 3.14Å; Y418-K420 VanDerWaalsContact O-N 3.17Å |
| 421 | I | 88.5 | Confident | 86.3 | Confident | 135 Ų | 135 | 65.3 Ų | 65.3 | 69% | 0.692 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.7 | -41.4 | 173.2 | -62.9 | 167.8 | 0 | 0 | 0 | 109.7 | V417 Y418 | V417-I421 HydrophobicContact CG1-CD1 4.16Å; V417-I421 WeakPolarHBondContact O-CG1 3.45Å; V417-I421 PolarHBondContact O-N 3.13Å; Y418-I421 PolarHBondContact O-N 3.37Å; Y418-I421 VanDerWaalsContact O-N 3.07Å |
| 422 | R | 89.7 | Confident | 86.1 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 45% | 0.453 | 32% | 0.324 | S | S | . | . | trans | -121.3 | 88 | -178 | -169.4 | 169.3 | -177 | 159.1 | -15.8 | 112 | Y418 M419 K424 A425 E429 | Y418-R422 HydrophobicContact CE1-CB 4.24Å; Y418-R422 PolarHBondContact O-N 2.76Å; M419-R422 CarbonylContact O-C 3.59Å; R422-K424 VanDerWaalsContact C-N 3.25Å; R422-K424 PolarHBondContact O-N 2.86Å; R422-K424 VanDerWaalsContact O-N 3.15Å; R422-A425 HydrophobicContact CG-CB 4.27Å; R422-A425 PolarHBondContact O-N 3.35Å; R422-E429 WeakPolarHBondContact CD-OE1 3.06Å; R422-E429 IonicContact CZ-OE1 3.35Å; R422-E429 IonicContact CZ-OE2 3.53Å; R422-E429 IonicContact NE-OE1 3.79Å; R422-E429 PolarHBondContact NE-OE1 3.49Å; R422-E429 VanDerWaalsContact NE-OE1 3.13Å; R422-E429 IonicContact NE-OE2 2.85Å; R422-E429 PolarHBondContact NE-OE2 2.92Å; R422-E429 VanDerWaalsContact NE-OE2 3.16Å; R422-E429 IonicContact NH1-OE1 3.16Å; R422-E429 PolarHBondContact NH1-OE1 3.24Å; R422-E429 IonicContact NH1-OE2 3.49Å; R422-E429 VanDerWaalsContact NH2-CD 3.3Å; R422-E429 IonicContact NH2-OE1 2.95Å; R422-E429 PolarHBondContact NH2-OE1 3.19Å; R422-E429 IonicContact NH2-OE2 3.23Å; R422-E429 PolarHBondContact NH2-OE2 3.31Å | ||
| 423 | K | 82.2 | Confident | 85.9 | Confident | 189 Ų | 189 | 70 Ų | 70 | 82% | 0.822 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.4 | -175.1 | -60.6 | -176.8 | -179.1 | -179.3 | 0 | 115.7 | M419 | M419-K423 WeakPolarHBondContact O-CA 3.13Å; M419-K423 PolarHBondContact O-N 3.38Å |
| 424 | K | 82.1 | Confident | 85.5 | Confident | 194 Ų | 194 | 68.2 Ų | 68.2 | 84% | 0.843 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | 47.2 | -177.5 | -63.8 | -173.6 | 178.7 | -176.9 | 0 | 111.7 | R422 | R422-K424 VanDerWaalsContact C-N 3.25Å; R422-K424 PolarHBondContact O-N 2.86Å; R422-K424 VanDerWaalsContact O-N 3.15Å |
| 425 | A | 80.5 | Confident | 85.2 | Confident | 16 Ų | 16 | 73 Ų | 73 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | trans | -74.3 | 137.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y418 R422 E429 I430 | Y418-A425 HydrophobicContact CE1-CB 4.2Å; R422-A425 HydrophobicContact CG-CB 4.27Å; R422-A425 PolarHBondContact O-N 3.35Å; A425-E429 HydrophobicContact CB-CG 4.39Å; A425-I430 HydrophobicContact CB-CD1 4.15Å; A425-I430 HydrophobicContact CB-CG1 3.79Å | ||
| 426 | K | 83 | Confident | 85.3 | Confident | 164 Ų | 164 | 76 Ų | 76 | 71% | 0.713 | 36% | 0.355 | S | S | * | . | trans | -75.6 | 152.6 | 172.7 | -66.1 | -177.1 | 179.3 | -177.7 | 0 | 110 | M428 E429 I430 | K426-M428 VanDerWaalsContact C-N 3.28Å; K426-M428 PolarHBondContact O-N 3.23Å; K426-E429 HydrophobicContact CB-CB 4.34Å; K426-E429 WeakPolarHBondContact O-CA 3.35Å; K426-E429 WeakPolarHBondContact O-CB 3.16Å; K426-E429 PolarHBondContact O-N 3.34Å; K426-I430 PolarHBondContact O-N 3.43Å | ||
| 427 | N | 79 | Confident | 85.3 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -53.8 | -42.4 | 177 | -72.7 | -13.9 | 0 | 0 | 0 | 113.3 | V34 E429 I430 M431 H652 | V34-N427 VanDerWaalsContact CG2-OD1 3.32Å; V34-N427 WeakPolarHBondContact CG2-OD1 3.46Å; N427-E429 VanDerWaalsContact C-N 3.31Å; N427-E429 PolarHBondContact O-N 3.36Å; N427-I430 PolarHBondContact O-N 3.26Å; N427-M431 WeakPolarHBondContact O-CG 3.34Å; N427-M431 PolarHBondContact O-N 2.99Å; N427-M431 VanDerWaalsContact O-N 3.09Å; N427-H652 VanDerWaalsContact CG-CE1 3.46Å; N427-H652 PolarHBondContact ND2-CE1 3.07Å; N427-H652 PolarHBondContact ND2-ND1 3.06Å; N427-H652 PolarHBondContact OD1-CE1 2.98Å; N427-H652 PolarHBondContact OD1-NE2 3.08Å |
| 428 | M | 79.7 | Confident | 85.1 | Confident | 134 Ų | 134 | 77.7 Ų | 77.7 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 176.1 | -71.3 | -64.4 | -71 | 0 | 0 | 112.4 | K426 M431 V432 | K426-M428 VanDerWaalsContact C-N 3.28Å; K426-M428 PolarHBondContact O-N 3.23Å; M428-M431 HydrophobicContact CG-CE 4.31Å; M428-M431 PolarHBondContact O-N 3.49Å; M428-M431 HydrophobicContact SD-CE 3.34Å; M428-M431 WeakPolarHBondContact SD-CE 3.27Å; M428-V432 WeakPolarHBondContact O-CG2 3.3Å; M428-V432 PolarHBondContact O-N 3.21Å |
| 429 | E | 87.2 | Confident | 84.9 | Confident | 39 Ų | 39 | 80.9 Ų | 80.9 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65 | -45.7 | 177.4 | 163.4 | 167.5 | -139.7 | 0 | 0 | 111.1 | Y418 R422 A425 K426 N427 M431 V432 V433 | Y418-E429 HydrophobicContact CE1-CG 4.19Å; Y418-E429 PolarHBondContact OH-OE1 2.95Å; R422-E429 WeakPolarHBondContact CD-OE1 3.06Å; R422-E429 IonicContact CZ-OE1 3.35Å; R422-E429 IonicContact CZ-OE2 3.53Å; R422-E429 IonicContact NE-OE1 3.79Å; R422-E429 PolarHBondContact NE-OE1 3.49Å; R422-E429 VanDerWaalsContact NE-OE1 3.13Å; R422-E429 IonicContact NE-OE2 2.85Å; R422-E429 PolarHBondContact NE-OE2 2.92Å; R422-E429 VanDerWaalsContact NE-OE2 3.16Å; R422-E429 IonicContact NH1-OE1 3.16Å; R422-E429 PolarHBondContact NH1-OE1 3.24Å; R422-E429 IonicContact NH1-OE2 3.49Å; R422-E429 VanDerWaalsContact NH2-CD 3.3Å; R422-E429 IonicContact NH2-OE1 2.95Å; R422-E429 PolarHBondContact NH2-OE1 3.19Å; R422-E429 IonicContact NH2-OE2 3.23Å; R422-E429 PolarHBondContact NH2-OE2 3.31Å; A425-E429 HydrophobicContact CB-CG 4.39Å; K426-E429 HydrophobicContact CB-CB 4.34Å; K426-E429 WeakPolarHBondContact O-CA 3.35Å; K426-E429 WeakPolarHBondContact O-CB 3.16Å; K426-E429 PolarHBondContact O-N 3.34Å; N427-E429 VanDerWaalsContact C-N 3.31Å; N427-E429 PolarHBondContact O-N 3.36Å; E429-M431 VanDerWaalsContact C-N 3.28Å; E429-M431 PolarHBondContact O-N 3.08Å; E429-V432 PolarHBondContact O-N 3.26Å; E429-V433 HydrophobicContact CG-CG2 4.27Å; E429-V433 WeakPolarHBondContact O-CB 3.22Å; E429-V433 VanDerWaalsContact O-CG2 3.23Å; E429-V433 WeakPolarHBondContact O-CG2 2.96Å; E429-V433 PolarHBondContact O-N 3.36Å |
| 430 | I | 83.5 | Confident | 85.1 | Confident | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.5 | -44.6 | 176.3 | -65.6 | 171 | 0 | 0 | 0 | 110.5 | F38 T414 M419 A425 K426 N427 S434 | F38-I430 HydrophobicContact CE2-CG2 4.36Å; F38-I430 HydrophobicContact CZ-CG2 4.46Å; T414-I430 HydrophobicContact CG2-CG2 3.88Å; M419-I430 HydrophobicContact CE-CD1 4.5Å; M419-I430 HydrophobicContact CG-CD1 4.16Å; M419-I430 HydrophobicContact SD-CD1 3.9Å; A425-I430 HydrophobicContact CB-CD1 4.15Å; A425-I430 HydrophobicContact CB-CG1 3.79Å; K426-I430 PolarHBondContact O-N 3.43Å; N427-I430 PolarHBondContact O-N 3.26Å; I430-S434 WeakPolarHBondContact O-CB 3.39Å; I430-S434 PolarHBondContact O-N 3.38Å |
| 431 | M | 78.4 | Confident | 85.4 | Confident | 53 Ų | 53 | 77 Ų | 77 | 26% | 0.261 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.7 | -35 | 179.1 | -69.5 | -171.8 | -65.2 | 0 | 0 | 113.7 | N427 M428 E429 S434 R435 | N427-M431 WeakPolarHBondContact O-CG 3.34Å; N427-M431 PolarHBondContact O-N 2.99Å; N427-M431 VanDerWaalsContact O-N 3.09Å; M428-M431 HydrophobicContact CG-CE 4.31Å; M428-M431 PolarHBondContact O-N 3.49Å; M428-M431 HydrophobicContact SD-CE 3.34Å; M428-M431 WeakPolarHBondContact SD-CE 3.27Å; E429-M431 VanDerWaalsContact C-N 3.28Å; E429-M431 PolarHBondContact O-N 3.08Å; M431-S434 PolarHBondContact O-OG 3.25Å; M431-R435 WeakPolarHBondContact O-CD 3.24Å; M431-R435 VanDerWaalsContact O-CG 3.3Å; M431-R435 WeakPolarHBondContact O-CG 3.28Å; M431-R435 PolarHBondContact O-N 2.83Å |
| 432 | V | 84 | Confident | 85.5 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 47% | 0.473 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.9 | -46.2 | 176.8 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | M428 E429 S434 R435 I436 | M428-V432 WeakPolarHBondContact O-CG2 3.3Å; M428-V432 PolarHBondContact O-N 3.21Å; E429-V432 PolarHBondContact O-N 3.26Å; V432-S434 VanDerWaalsContact C-N 3.3Å; V432-S434 PolarHBondContact O-N 3.41Å; V432-R435 PolarHBondContact O-N 2.96Å; V432-I436 HydrophobicContact CG1-CD1 3.84Å; V432-I436 HydrophobicContact CG1-CG1 4.47Å; V432-I436 WeakPolarHBondContact O-CG1 3.27Å; V432-I436 PolarHBondContact O-N 3.15Å |
| 433 | V | 88.6 | Confident | 85.6 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 179.4 | 169.8 | 0 | 0 | 0 | 0 | 111 | F413 Y418 E429 R435 I436 F437 | F413-V433 HydrophobicContact CD1-CG1 4.35Å; F413-V433 HydrophobicContact CE1-CG1 3.75Å; Y418-V433 HydrophobicContact CD1-CG1 4.11Å; Y418-V433 HydrophobicContact CD2-CG1 3.65Å; Y418-V433 HydrophobicContact CE1-CB 4.37Å; Y418-V433 HydrophobicContact CE1-CG1 4.23Å; Y418-V433 HydrophobicContact CE1-CG2 3.93Å; Y418-V433 HydrophobicContact CE2-CB 4.48Å; Y418-V433 HydrophobicContact CE2-CG1 3.77Å; Y418-V433 HydrophobicContact CE2-CG2 3.97Å; Y418-V433 HydrophobicContact CG-CG1 3.81Å; E429-V433 HydrophobicContact CG-CG2 4.27Å; E429-V433 WeakPolarHBondContact O-CB 3.22Å; E429-V433 VanDerWaalsContact O-CG2 3.23Å; E429-V433 WeakPolarHBondContact O-CG2 2.96Å; E429-V433 PolarHBondContact O-N 3.36Å; V433-R435 VanDerWaalsContact C-N 3.29Å; V433-R435 PolarHBondContact O-N 3.17Å; V433-I436 PolarHBondContact O-N 2.96Å; V433-F437 WeakPolarHBondContact O-CB 3.5Å; V433-F437 PolarHBondContact O-N 3.43Å |
| 434 | S | 84.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 177.7 | 80.8 | 0 | 0 | 0 | 0 | 112.2 | I430 M431 V432 F437 V438 | I430-S434 WeakPolarHBondContact O-CB 3.39Å; I430-S434 PolarHBondContact O-N 3.38Å; M431-S434 PolarHBondContact O-OG 3.25Å; V432-S434 VanDerWaalsContact C-N 3.3Å; V432-S434 PolarHBondContact O-N 3.41Å; S434-F437 PolarHBondContact O-N 3.18Å; S434-V438 WeakPolarHBondContact O-CG2 3.41Å; S434-V438 PolarHBondContact O-N 3.35Å; S434-V438 VanDerWaalsContact O-N 3.12Å |
| 435 | R | 83.2 | Confident | 86.7 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 38% | 0.381 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.6 | -43.3 | -179.9 | -67.6 | 168.4 | -177.3 | -154.7 | -8 | 112.1 | V172 M431 V432 V433 F437 V438 I439 | V172-R435 PolarHBondContact O-NH2 3.48Å; M431-R435 WeakPolarHBondContact O-CD 3.24Å; M431-R435 VanDerWaalsContact O-CG 3.3Å; M431-R435 WeakPolarHBondContact O-CG 3.28Å; M431-R435 PolarHBondContact O-N 2.83Å; V432-R435 PolarHBondContact O-N 2.96Å; V433-R435 VanDerWaalsContact C-N 3.29Å; V433-R435 PolarHBondContact O-N 3.17Å; R435-F437 VanDerWaalsContact C-N 3.3Å; R435-F437 PolarHBondContact O-N 3.39Å; R435-V438 PolarHBondContact O-N 3.16Å; R435-I439 PolarHBondContact O-N 3.13Å |
| 436 | I | 87.9 | Confident | 87.3 | Confident | 98 Ų | 98 | 58.7 Ų | 58.7 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176 | -66 | 170.8 | 0 | 0 | 0 | 110 | V432 V433 V438 I439 V440 | V432-I436 HydrophobicContact CG1-CD1 3.84Å; V432-I436 HydrophobicContact CG1-CG1 4.47Å; V432-I436 WeakPolarHBondContact O-CG1 3.27Å; V432-I436 PolarHBondContact O-N 3.15Å; V433-I436 PolarHBondContact O-N 2.96Å; I436-V438 PolarHBondContact O-N 2.87Å; I436-I439 WeakPolarHBondContact O-CB 3.4Å; I436-I439 PolarHBondContact O-N 2.84Å; I436-V440 PolarHBondContact O-N 3.48Å; I436-V440 VanDerWaalsContact O-N 3.11Å |
| 437 | F | 90.6 | Very high | 87.8 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 178.5 | 177.9 | -103.6 | 0 | 0 | 0 | 112.5 | L129 A409 F413 V433 S434 R435 I439 V440 L441 | L129-F437 HydrophobicContact CD1-CE1 4.46Å; L129-F437 HydrophobicContact CD1-CZ 3.84Å; L129-F437 HydrophobicContact CD2-CE1 3.69Å; L129-F437 HydrophobicContact CD2-CZ 3.72Å; L129-F437 HydrophobicContact CG-CZ 4.27Å; A409-F437 HydrophobicContact CB-CE1 4.33Å; F413-F437 HydrophobicContact CB-CD1 3.56Å; F413-F437 HydrophobicContact CB-CD2 4.32Å; F413-F437 HydrophobicContact CB-CE1 3.48Å; F413-F437 VanDerWaalsContact CB-CE1 3.48Å; F413-F437 HydrophobicContact CB-CE2 4.26Å; F413-F437 HydrophobicContact CB-CG 3.99Å; F413-F437 HydrophobicContact CB-CZ 3.86Å; F413-F437 HydrophobicContact CD1-CB 3.67Å; F413-F437 AromaticContact CD1-CD1 3.91Å; F413-F437 HydrophobicContact CD1-CD1 3.91Å; F413-F437 AromaticContact CD1-CD2 3.67Å; F413-F437 HydrophobicContact CD1-CD2 3.67Å; F413-F437 HydrophobicContact CD1-CE2 4.31Å; F413-F437 AromaticContact CD1-CG 3.44Å; F413-F437 HydrophobicContact CD1-CG 3.44Å; F413-F437 VanDerWaalsContact CD1-CG 3.44Å; F413-F437 HydrophobicContact CD2-CD1 4.41Å; F413-F437 AromaticContact CD2-CD2 3.63Å; F413-F437 HydrophobicContact CD2-CD2 3.63Å; F413-F437 HydrophobicContact CD2-CE1 4.26Å; F413-F437 AromaticContact CD2-CE2 3.45Å; F413-F437 HydrophobicContact CD2-CE2 3.45Å; F413-F437 VanDerWaalsContact CD2-CE2 3.45Å; F413-F437 HydrophobicContact CD2-CG 4.12Å; F413-F437 AromaticContact CD2-CZ 3.8Å; F413-F437 HydrophobicContact CD2-CZ 3.8Å; F413-F437 HydrophobicContact CE1-CB 3.89Å; F413-F437 AromaticContact CE1-CD2 3.78Å; F413-F437 HydrophobicContact CE1-CD2 3.78Å; F413-F437 AromaticContact CE1-CG 3.88Å; F413-F437 HydrophobicContact CE1-CG 3.88Å; F413-F437 AromaticContact CE2-CD2 3.74Å; F413-F437 HydrophobicContact CE2-CD2 3.74Å; F413-F437 AromaticContact CE2-CE2 3.78Å; F413-F437 HydrophobicContact CE2-CE2 3.78Å; F413-F437 HydrophobicContact CE2-CG 4.5Å; F413-F437 HydrophobicContact CG-CB 4.31Å; F413-F437 AromaticContact CG-CD1 3.7Å; F413-F437 HydrophobicContact CG-CD1 3.7Å; F413-F437 AromaticContact CG-CD2 3.59Å; F413-F437 HydrophobicContact CG-CD2 3.59Å; F413-F437 AromaticContact CG-CE1 3.85Å; F413-F437 HydrophobicContact CG-CE1 3.85Å; F413-F437 AromaticContact CG-CE2 3.74Å; F413-F437 HydrophobicContact CG-CE2 3.74Å; F413-F437 AromaticContact CG-CG 3.57Å; F413-F437 HydrophobicContact CG-CG 3.57Å; F413-F437 AromaticContact CG-CZ 3.87Å; F413-F437 HydrophobicContact CG-CZ 3.87Å; F413-F437 AromaticContact CZ-CD2 3.81Å; F413-F437 HydrophobicContact CZ-CD2 3.81Å; F413-F437 HydrophobicContact CZ-CE2 4.33Å; F413-F437 HydrophobicContact CZ-CG 4.39Å; V433-F437 WeakPolarHBondContact O-CB 3.5Å; V433-F437 PolarHBondContact O-N 3.43Å; S434-F437 PolarHBondContact O-N 3.18Å; R435-F437 VanDerWaalsContact C-N 3.3Å; R435-F437 PolarHBondContact O-N 3.39Å; F437-I439 VanDerWaalsContact C-N 3.29Å; F437-I439 PolarHBondContact O-N 2.84Å; F437-V440 PolarHBondContact O-N 3.23Å; F437-L441 HydrophobicContact CE1-CD1 3.62Å; F437-L441 HydrophobicContact CZ-CD1 3.82Å; F437-L441 WeakPolarHBondContact O-CB 3.46Å; F437-L441 PolarHBondContact O-N 3.19Å |
| 438 | V | 87.6 | Confident | 88.4 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 175.4 | 168.3 | 0 | 0 | 0 | 0 | 111.7 | F406 S410 S434 R435 I436 L441 I442 | F406-V438 HydrophobicContact CB-CG1 3.98Å; F406-V438 HydrophobicContact CB-CG2 4.09Å; F406-V438 HydrophobicContact CD1-CG1 3.76Å; F406-V438 HydrophobicContact CD2-CG1 3.9Å; F406-V438 HydrophobicContact CE1-CG1 4.22Å; F406-V438 HydrophobicContact CE2-CG1 4.33Å; F406-V438 HydrophobicContact CG-CG1 3.6Å; F406-V438 HydrophobicContact CZ-CG1 4.49Å; S410-V438 WeakPolarHBondContact OG-CG2 3Å; S434-V438 WeakPolarHBondContact O-CG2 3.41Å; S434-V438 PolarHBondContact O-N 3.35Å; S434-V438 VanDerWaalsContact O-N 3.12Å; R435-V438 PolarHBondContact O-N 3.16Å; I436-V438 PolarHBondContact O-N 2.87Å; V438-L441 PolarHBondContact O-N 3.06Å; V438-I442 HydrophobicContact CG1-CD1 3.8Å; V438-I442 HydrophobicContact CG1-CG1 4.43Å; V438-I442 WeakPolarHBondContact O-CD1 3.44Å; V438-I442 VanDerWaalsContact O-CG1 3.27Å; V438-I442 WeakPolarHBondContact O-CG1 3.49Å; V438-I442 PolarHBondContact O-N 2.82Å |
| 439 | I | 89.2 | Confident | 88.9 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 53% | 0.533 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.5 | -64.4 | 168.2 | 0 | 0 | 0 | 110.7 | R435 I436 F437 L441 I442 L443 | R435-I439 PolarHBondContact O-N 3.13Å; I436-I439 WeakPolarHBondContact O-CB 3.4Å; I436-I439 PolarHBondContact O-N 2.84Å; F437-I439 VanDerWaalsContact C-N 3.29Å; F437-I439 PolarHBondContact O-N 2.84Å; I439-L441 VanDerWaalsContact C-N 3.31Å; I439-L441 PolarHBondContact O-N 3.26Å; I439-I442 PolarHBondContact O-N 2.64Å; I439-L443 HydrophobicContact CG2-CD1 4.4Å; I439-L443 WeakPolarHBondContact O-CG 3.37Å; I439-L443 PolarHBondContact O-N 2.85Å |
| 440 | V | 91.6 | Very high | 89.1 | Confident | 70 Ų | 70 | 50 Ų | 50 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I436 F437 I442 L443 L444 | I436-V440 PolarHBondContact O-N 3.48Å; I436-V440 VanDerWaalsContact O-N 3.11Å; F437-V440 PolarHBondContact O-N 3.23Å; V440-I442 VanDerWaalsContact C-N 3.34Å; V440-I442 PolarHBondContact O-N 3.44Å; V440-L443 PolarHBondContact O-N 2.89Å; V440-L444 HydrophobicContact CG1-CD1 4.21Å; V440-L444 WeakPolarHBondContact O-CG 3.29Å; V440-L444 PolarHBondContact O-N 3.21Å |
| 441 | L | 91.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | -179.3 | -160.9 | 160.7 | 0 | 0 | 0 | 111.4 | L129 I133 I137 A409 F437 V438 I439 L444 S445 | L129-L441 HydrophobicContact CD2-CD1 4.36Å; I133-L441 HydrophobicContact CD1-CG 4.44Å; I133-L441 HydrophobicContact CG1-CD2 3.93Å; I133-L441 HydrophobicContact CG1-CG 3.88Å; I137-L441 HydrophobicContact CD1-CD2 3.02Å; I137-L441 HydrophobicContact CD1-CG 4.46Å; I137-L441 HydrophobicContact CG1-CD2 4.36Å; A409-L441 HydrophobicContact CB-CD1 3.82Å; F437-L441 HydrophobicContact CE1-CD1 3.62Å; F437-L441 HydrophobicContact CZ-CD1 3.82Å; F437-L441 WeakPolarHBondContact O-CB 3.46Å; F437-L441 PolarHBondContact O-N 3.19Å; V438-L441 PolarHBondContact O-N 3.06Å; I439-L441 VanDerWaalsContact C-N 3.31Å; I439-L441 PolarHBondContact O-N 3.26Å; L441-L444 PolarHBondContact O-N 3.33Å; L441-S445 WeakPolarHBondContact O-CB 3.48Å; L441-S445 PolarHBondContact O-N 3.09Å; L441-S445 PolarHBondContact O-OG 2.79Å |
| 442 | I | 91.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 173.3 | -71.2 | 161.7 | 0 | 0 | 0 | 111 | L164 F406 V438 I439 V440 L444 S445 I446 | L164-I442 HydrophobicContact CD1-CG2 3.56Å; L164-I442 HydrophobicContact CD2-CD1 4.08Å; L164-I442 HydrophobicContact CD2-CG1 4.15Å; L164-I442 HydrophobicContact CD2-CG2 3.66Å; L164-I442 HydrophobicContact CG-CG2 4.24Å; F406-I442 HydrophobicContact CE1-CD1 3.97Å; F406-I442 HydrophobicContact CE1-CG1 3.64Å; F406-I442 HydrophobicContact CE2-CD1 3.93Å; F406-I442 HydrophobicContact CE2-CG1 4.45Å; F406-I442 HydrophobicContact CZ-CD1 3.49Å; F406-I442 VanDerWaalsContact CZ-CD1 3.49Å; F406-I442 HydrophobicContact CZ-CG1 3.54Å; V438-I442 HydrophobicContact CG1-CD1 3.8Å; V438-I442 HydrophobicContact CG1-CG1 4.43Å; V438-I442 WeakPolarHBondContact O-CD1 3.44Å; V438-I442 VanDerWaalsContact O-CG1 3.27Å; V438-I442 WeakPolarHBondContact O-CG1 3.49Å; V438-I442 PolarHBondContact O-N 2.82Å; I439-I442 PolarHBondContact O-N 2.64Å; V440-I442 VanDerWaalsContact C-N 3.34Å; V440-I442 PolarHBondContact O-N 3.44Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 PolarHBondContact O-N 3.49Å; I442-S445 WeakPolarHBondContact O-CB 3.24Å; I442-S445 PolarHBondContact O-N 3.28Å; I442-S445 VanDerWaalsContact O-N 3.08Å; I442-I446 HydrophobicContact CG2-CD1 3.85Å; I442-I446 HydrophobicContact CG2-CG1 4.3Å; I442-I446 WeakPolarHBondContact O-CG1 3.45Å; I442-I446 PolarHBondContact O-N 2.9Å |
| 443 | L | 92.1 | Very high | 89.9 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 58% | 0.581 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | -179.3 | -68.7 | 173.9 | 0 | 0 | 0 | 112.1 | I439 V440 S445 I446 A447 | I439-L443 HydrophobicContact CG2-CD1 4.4Å; I439-L443 WeakPolarHBondContact O-CG 3.37Å; I439-L443 PolarHBondContact O-N 2.85Å; V440-L443 PolarHBondContact O-N 2.89Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.23Å; L443-I446 PolarHBondContact O-N 2.98Å; L443-A447 PolarHBondContact O-N 3.1Å |
| 444 | L | 93.6 | Very high | 89.7 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 174.7 | -66.9 | 175.3 | 0 | 0 | 0 | 111.9 | I133 V440 L441 I442 A447 W448 | I133-L444 HydrophobicContact CD1-CB 4.17Å; I133-L444 HydrophobicContact CD1-CD1 3.95Å; I133-L444 HydrophobicContact CG2-CB 4.25Å; V440-L444 HydrophobicContact CG1-CD1 4.21Å; V440-L444 WeakPolarHBondContact O-CG 3.29Å; V440-L444 PolarHBondContact O-N 3.21Å; L441-L444 PolarHBondContact O-N 3.33Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 PolarHBondContact O-N 3.49Å; L444-A447 PolarHBondContact O-N 2.7Å; L444-W448 PolarHBondContact O-N 3.23Å |
| 445 | S | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70 | -38 | 179 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | I137 S138 L441 I442 L443 A447 W448 | I137-S445 VanDerWaalsContact CG2-CB 3.41Å; I137-S445 WeakPolarHBondContact CG2-OG 3.42Å; S138-S445 WeakPolarHBondContact CB-O 3.27Å; S138-S445 VanDerWaalsContact OG-C 3.27Å; S138-S445 WeakPolarHBondContact OG-CA 3.28Å; S138-S445 WeakPolarHBondContact OG-CB 3.37Å; S138-S445 PolarHBondContact OG-O 3.34Å; L441-S445 WeakPolarHBondContact O-CB 3.48Å; L441-S445 PolarHBondContact O-N 3.09Å; L441-S445 PolarHBondContact O-OG 2.79Å; I442-S445 WeakPolarHBondContact O-CB 3.24Å; I442-S445 PolarHBondContact O-N 3.28Å; I442-S445 VanDerWaalsContact O-N 3.08Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.23Å; S445-A447 VanDerWaalsContact C-N 3.31Å; S445-A447 PolarHBondContact O-N 3.26Å; S445-W448 PolarHBondContact O-N 3.33Å |
| 446 | I | 92.7 | Very high | 89.5 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.7 | -67.2 | 170.7 | 0 | 0 | 0 | 110.6 | L141 W157 I160 L164 I442 L443 W448 I449 | L141-I446 HydrophobicContact CD1-CG1 4.11Å; W157-I446 HydrophobicContact CZ3-CG2 3.71Å; I160-I446 HydrophobicContact CG2-CD1 4.45Å; I160-I446 HydrophobicContact CG2-CG1 4.38Å; L164-I446 HydrophobicContact CD1-CD1 3.67Å; L164-I446 HydrophobicContact CD1-CG1 4.36Å; I442-I446 HydrophobicContact CG2-CD1 3.85Å; I442-I446 HydrophobicContact CG2-CG1 4.3Å; I442-I446 WeakPolarHBondContact O-CG1 3.45Å; I442-I446 PolarHBondContact O-N 2.9Å; L443-I446 PolarHBondContact O-N 2.98Å; I446-W448 PolarHBondContact O-N 2.77Å; I446-W448 VanDerWaalsContact O-N 3.15Å; I446-I449 WeakPolarHBondContact O-CB 3.39Å; I446-I449 PolarHBondContact O-N 2.96Å; I446-I449 VanDerWaalsContact O-N 3.09Å |
| 447 | A | 93 | Very high | 89.3 | Confident | 74 Ų | 74 | 47.6 Ų | 47.6 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.5 | -22.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L443 L444 S445 | L443-A447 PolarHBondContact O-N 3.1Å; L444-A447 PolarHBondContact O-N 2.7Å; S445-A447 VanDerWaalsContact C-N 3.31Å; S445-A447 PolarHBondContact O-N 3.26Å |
| 448 | W | 91.5 | Very high | 89 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -87.7 | -12.5 | 178 | -164.9 | -105.7 | 0 | 0 | 0 | 114 | F134 L444 S445 I446 V451 I452 I512 | F134-W448 AromaticContact CD1-CD1 3.98Å; F134-W448 AromaticContact CD1-CD2 3.48Å; F134-W448 HydrophobicContact CD1-CD2 3.48Å; F134-W448 VanDerWaalsContact CD1-CD2 3.48Å; F134-W448 AromaticContact CD1-CE2 3.54Å; F134-W448 AromaticContact CD1-CE3 3.88Å; F134-W448 HydrophobicContact CD1-CE3 3.88Å; F134-W448 AromaticContact CD1-CG 3.78Å; F134-W448 HydrophobicContact CD1-CG 3.78Å; F134-W448 HydrophobicContact CD1-CH2 4.35Å; F134-W448 AromaticContact CD1-CZ2 4Å; F134-W448 HydrophobicContact CD1-CZ2 4Å; F134-W448 HydrophobicContact CD1-CZ3 4.3Å; F134-W448 AromaticContact CD1-NE1 3.85Å; F134-W448 AromaticContact CE1-CD2 3.72Å; F134-W448 HydrophobicContact CE1-CD2 3.72Å; F134-W448 AromaticContact CE1-CE3 3.6Å; F134-W448 HydrophobicContact CE1-CE3 3.6Å; F134-W448 HydrophobicContact CE1-CG 4.29Å; F134-W448 HydrophobicContact CE1-CH2 4.2Å; F134-W448 HydrophobicContact CE1-CZ2 4.31Å; F134-W448 AromaticContact CE1-CZ3 3.85Å; F134-W448 HydrophobicContact CE1-CZ3 3.85Å; L444-W448 PolarHBondContact O-N 3.23Å; S445-W448 PolarHBondContact O-N 3.33Å; I446-W448 PolarHBondContact O-N 2.77Å; I446-W448 VanDerWaalsContact O-N 3.15Å; W448-V451 HydrophobicContact CD2-CB 4.07Å; W448-V451 HydrophobicContact CD2-CG1 4.22Å; W448-V451 HydrophobicContact CD2-CG2 4.18Å; W448-V451 HydrophobicContact CE3-CB 4.36Å; W448-V451 HydrophobicContact CE3-CG1 4.5Å; W448-V451 HydrophobicContact CE3-CG2 3.97Å; W448-V451 HydrophobicContact CG-CB 4.47Å; W448-V451 HydrophobicContact CH2-CG1 4Å; W448-V451 HydrophobicContact CZ2-CB 4.43Å; W448-V451 HydrophobicContact CZ2-CG1 3.67Å; W448-V451 HydrophobicContact CZ3-CG1 4.39Å; W448-V451 HydrophobicContact CZ3-CG2 4.19Å; W448-V451 VanDerWaalsContact O-CB 3.3Å; W448-V451 WeakPolarHBondContact O-CB 3.45Å; W448-V451 PolarHBondContact O-N 3.24Å; W448-V451 VanDerWaalsContact O-N 3.11Å; W448-I452 PolarHBondContact O-N 2.91Å; W448-I512 HydrophobicContact CH2-CD1 4.48Å |
| 449 | I | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | -178.3 | -66.7 | 175.3 | 0 | 0 | 0 | 113.2 | L141 Y142 I160 I446 V451 I452 Q453 | L141-I449 HydrophobicContact CB-CD1 4Å; Y142-I449 HydrophobicContact CD2-CG2 3.87Å; Y142-I449 HydrophobicContact CG-CG2 4.49Å; I160-I449 HydrophobicContact CD1-CD1 3.59Å; I160-I449 HydrophobicContact CG1-CD1 4.46Å; I446-I449 WeakPolarHBondContact O-CB 3.39Å; I446-I449 PolarHBondContact O-N 2.96Å; I446-I449 VanDerWaalsContact O-N 3.09Å; I449-V451 PolarHBondContact O-N 3.36Å; I449-I452 WeakPolarHBondContact O-CB 3.43Å; I449-I452 PolarHBondContact O-N 3.29Å; I449-Q453 HydrophobicContact CG2-CG 4.41Å; I449-Q453 PolarHBondContact O-N 2.92Å |
| 450 | P | 90.1 | Very high | 89.3 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.1 | -33.3 | 176.4 | -25.8 | 35.9 | 0 | 0 | 0 | 113.3 | W157 Q453 E454 | W157-P450 HydrophobicContact CH2-CG 4.42Å; P450-Q453 PolarHBondContact O-N 3.47Å; P450-E454 PolarHBondContact O-N 3.16Å |
| 451 | V | 88.7 | Confident | 89.4 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | W448 I449 Q453 E454 F455 | W448-V451 HydrophobicContact CD2-CB 4.07Å; W448-V451 HydrophobicContact CD2-CG1 4.22Å; W448-V451 HydrophobicContact CD2-CG2 4.18Å; W448-V451 HydrophobicContact CE3-CB 4.36Å; W448-V451 HydrophobicContact CE3-CG1 4.5Å; W448-V451 HydrophobicContact CE3-CG2 3.97Å; W448-V451 HydrophobicContact CG-CB 4.47Å; W448-V451 HydrophobicContact CH2-CG1 4Å; W448-V451 HydrophobicContact CZ2-CB 4.43Å; W448-V451 HydrophobicContact CZ2-CG1 3.67Å; W448-V451 HydrophobicContact CZ3-CG1 4.39Å; W448-V451 HydrophobicContact CZ3-CG2 4.19Å; W448-V451 VanDerWaalsContact O-CB 3.3Å; W448-V451 WeakPolarHBondContact O-CB 3.45Å; W448-V451 PolarHBondContact O-N 3.24Å; W448-V451 VanDerWaalsContact O-N 3.11Å; I449-V451 PolarHBondContact O-N 3.36Å; V451-Q453 VanDerWaalsContact C-N 3.32Å; V451-Q453 PolarHBondContact O-N 2.89Å; V451-E454 PolarHBondContact O-N 3.4Å; V451-F455 HydrophobicContact CB-CD2 4.32Å; V451-F455 HydrophobicContact CG1-CD2 3.45Å; V451-F455 VanDerWaalsContact CG1-CD2 3.45Å; V451-F455 HydrophobicContact CG1-CE2 3.76Å; V451-F455 WeakPolarHBondContact O-CB 3.22Å; V451-F455 WeakPolarHBondContact O-CD2 3.35Å; V451-F455 PolarHBondContact O-N 3.39Å |
| 452 | I | 88.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.3 | -61.6 | 176.3 | 0 | 0 | 0 | 111.3 | S138 V139 Y142 W448 I449 E454 F455 Q456 L460 Y463 | S138-I452 VanDerWaalsContact CB-CD1 3.48Å; V139-I452 HydrophobicContact CG2-CD1 3.87Å; Y142-I452 HydrophobicContact CD1-CG2 3.71Å; Y142-I452 HydrophobicContact CE1-CG2 4.2Å; Y142-I452 HydrophobicContact CG-CG2 4.1Å; W448-I452 PolarHBondContact O-N 2.91Å; I449-I452 WeakPolarHBondContact O-CB 3.43Å; I449-I452 PolarHBondContact O-N 3.29Å; I452-E454 PolarHBondContact O-N 3.37Å; I452-F455 PolarHBondContact O-N 2.83Å; I452-Q456 HydrophobicContact CG2-CB 4.17Å; I452-Q456 VanDerWaalsContact O-CB 3.22Å; I452-Q456 WeakPolarHBondContact O-CB 3.39Å; I452-Q456 VanDerWaalsContact O-CG 3.31Å; I452-Q456 WeakPolarHBondContact O-CG 3.38Å; I452-Q456 PolarHBondContact O-N 3.35Å; I452-Q456 PolarHBondContact O-NE2 2.95Å; I452-L460 HydrophobicContact CG2-CD1 3.98Å; I452-Y463 HydrophobicContact CG1-CE1 4.35Å |
| 453 | Q | 86.8 | Confident | 89.4 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -34.3 | 179.9 | -75.6 | 178 | -39.6 | 0 | 0 | 113.1 | Y142 Q365 I449 P450 V451 | Y142-Q453 HydrophobicContact CD2-CG 3.95Å; Y142-Q453 HydrophobicContact CE2-CG 3.4Å; Q365-Q453 PolarHBondContact NE2-O 3.39Å; Q365-Q453 PolarHBondContact OE1-O 3.35Å; I449-Q453 HydrophobicContact CG2-CG 4.41Å; I449-Q453 PolarHBondContact O-N 2.92Å; P450-Q453 PolarHBondContact O-N 3.47Å; V451-Q453 VanDerWaalsContact C-N 3.32Å; V451-Q453 PolarHBondContact O-N 2.89Å |
| 454 | E | 84.2 | Confident | 89.3 | Confident | 141 Ų | 141 | 37.9 Ų | 37.9 | 66% | 0.659 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -85.4 | -38.3 | 179.7 | -164 | 65.3 | -161.1 | 0 | 0 | 112.4 | P450 V451 I452 | P450-E454 PolarHBondContact O-N 3.16Å; V451-E454 PolarHBondContact O-N 3.4Å; I452-E454 PolarHBondContact O-N 3.37Å |
| 455 | F | 82.9 | Confident | 89.3 | Confident | 61 Ų | 61 | 34.9 Ų | 34.9 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -105.4 | -7.9 | -166.3 | -61.9 | -64.3 | 0 | 0 | 0 | 116.3 | V451 I452 G457 Y463 I512 H515 | V451-F455 HydrophobicContact CB-CD2 4.32Å; V451-F455 HydrophobicContact CG1-CD2 3.45Å; V451-F455 VanDerWaalsContact CG1-CD2 3.45Å; V451-F455 HydrophobicContact CG1-CE2 3.76Å; V451-F455 WeakPolarHBondContact O-CB 3.22Å; V451-F455 WeakPolarHBondContact O-CD2 3.35Å; V451-F455 PolarHBondContact O-N 3.39Å; I452-F455 PolarHBondContact O-N 2.83Å; F455-G457 PolarHBondContact O-N 3.34Å; F455-Y463 HydrophobicContact CB-CE2 4.25Å; F455-I512 HydrophobicContact CE2-CG2 4.23Å; F455-I512 HydrophobicContact CZ-CG2 4.15Å; F455-H515 HydrophobicContact CD1-CB 3.8Å; F455-H515 HydrophobicContact CE1-CB 4.09Å |
| 456 | Q | 80.9 | Confident | 89.2 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -67.6 | -14.1 | -175.9 | 70.3 | -174.6 | -61 | 0 | 0 | 114.8 | Y142 N371 I452 L460 Y463 | Y142-Q456 PolarHBondContact OH-NE2 3.42Å; N371-Q456 PolarHBondContact ND2-OE1 2.74Å; I452-Q456 HydrophobicContact CG2-CB 4.17Å; I452-Q456 VanDerWaalsContact O-CB 3.22Å; I452-Q456 WeakPolarHBondContact O-CB 3.39Å; I452-Q456 VanDerWaalsContact O-CG 3.31Å; I452-Q456 WeakPolarHBondContact O-CG 3.38Å; I452-Q456 PolarHBondContact O-N 3.35Å; I452-Q456 PolarHBondContact O-NE2 2.95Å; Q456-L460 HydrophobicContact CB-CD1 3.9Å; Q456-Y463 HydrophobicContact CB-CD1 4.34Å; Q456-Y463 HydrophobicContact CB-CG 4.26Å |
| 457 | G | 83.2 | Confident | 89.2 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 18% | 0.175 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -150.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | F455 | F455-G457 PolarHBondContact O-N 3.34Š|
| 458 | S | 84.3 | Confident | 89.1 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 26% | 0.259 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -19.6 | 179.6 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | S367 S370 | S367-S458 WeakPolarHBondContact O-CB 3.36Å; S370-S458 PolarHBondContact OG-O 2.85Å |
| 459 | Q | 90.8 | Very high | 89.2 | Confident | 23 Ų | 23 | 28 Ų | 28 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | trans | -125.6 | 94.2 | -170.9 | -67.2 | -173.7 | 43.8 | 0 | 0 | 110.8 | S69 A72 E281 Y461 I462 Y463 | S69-Q459 PolarHBondContact OG-OE1 3.48Å; A72-Q459 HydrophobicContact CB-CG 3.9Å; E281-Q459 PolarHBondContact OE1-NE2 3.26Å; Q459-Y461 PolarHBondContact O-N 2.86Å; Q459-I462 HydrophobicContact CB-CB 4.34Å; Q459-I462 HydrophobicContact CB-CG1 4.21Å; Q459-I462 PolarHBondContact O-N 3.22Å; Q459-Y463 PolarHBondContact O-N 3.31Å | ||
| 460 | L | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -33.3 | -175.1 | 177.2 | 61 | 0 | 0 | 0 | 112.4 | Y142 N371 I452 Q456 Y463 I464 | Y142-L460 HydrophobicContact CD1-CD1 4.43Å; Y142-L460 HydrophobicContact CD1-CD2 4.05Å; Y142-L460 HydrophobicContact CE1-CD2 4.27Å; N371-L460 WeakPolarHBondContact OD1-CB 3.14Å; N371-L460 PolarHBondContact OD1-N 3.01Å; N371-L460 VanDerWaalsContact OD1-N 3.14Å; I452-L460 HydrophobicContact CG2-CD1 3.98Å; Q456-L460 HydrophobicContact CB-CD1 3.9Å; L460-Y463 HydrophobicContact CD1-CD1 4.28Å; L460-Y463 PolarHBondContact O-N 3Å; L460-I464 HydrophobicContact CD1-CD1 4.36Å; L460-I464 HydrophobicContact CD1-CG1 4.42Å; L460-I464 HydrophobicContact CG-CD1 4.02Å; L460-I464 VanDerWaalsContact O-CD1 3.32Å; L460-I464 WeakPolarHBondContact O-CD1 3.43Å; L460-I464 VanDerWaalsContact O-CG1 3.24Å; L460-I464 WeakPolarHBondContact O-CG1 3.33Å; L460-I464 PolarHBondContact O-N 2.98Å |
| 461 | Y | 93.7 | Very high | 89.4 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | -179 | -160.6 | -97 | 0 | 0 | 0 | 112.8 | H62 L66 V77 F80 Q459 Y463 I464 Q465 | H62-Y461 AromaticContact CD2-CE2 3.94Å; H62-Y461 AromaticContact NE2-CE2 3.89Å; H62-Y461 PolarHBondContact NE2-OH 3.42Å; L66-Y461 HydrophobicContact CB-CD2 3.9Å; L66-Y461 HydrophobicContact CB-CE2 4.04Å; L66-Y461 HydrophobicContact CB-CG 4.33Å; L66-Y461 HydrophobicContact CD1-CD1 4.08Å; L66-Y461 HydrophobicContact CD1-CD2 4.43Å; L66-Y461 HydrophobicContact CD1-CE1 3.89Å; L66-Y461 HydrophobicContact CD1-CE2 4.24Å; L66-Y461 HydrophobicContact CD1-CG 4.34Å; V77-Y461 HydrophobicContact CG2-CD1 3.71Å; V77-Y461 HydrophobicContact CG2-CE1 4.11Å; F80-Y461 HydrophobicContact CB-CE1 4.2Å; F80-Y461 HydrophobicContact CD1-CE1 4.26Å; F80-Y461 HydrophobicContact CD2-CD1 4.45Å; F80-Y461 AromaticContact CD2-CE1 3.83Å; F80-Y461 HydrophobicContact CD2-CE1 3.83Å; F80-Y461 HydrophobicContact CE2-CD1 4.48Å; F80-Y461 HydrophobicContact CE2-CE1 4.2Å; F80-Y461 AromaticContact CG-CE1 3.87Å; F80-Y461 HydrophobicContact CG-CE1 3.87Å; Q459-Y461 PolarHBondContact O-N 2.86Å; Y461-Y463 VanDerWaalsContact C-N 3.32Å; Y461-Y463 PolarHBondContact O-N 3.2Å; Y461-I464 PolarHBondContact O-N 3.5Å; Y461-Q465 HydrophobicContact CD1-CG 3.96Å; Y461-Q465 HydrophobicContact CE1-CG 3.83Å; Y461-Q465 VanDerWaalsContact O-CG 3.3Å; Y461-Q465 WeakPolarHBondContact O-CG 3.41Å; Y461-Q465 PolarHBondContact O-N 2.91Å; Y461-Q465 PolarHBondContact OH-NE2 3.09Å |
| 462 | I | 91.8 | Very high | 89.6 | Confident | 32 Ų | 32 | 24.8 Ų | 24.8 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 179.5 | -60.4 | -58.3 | 0 | 0 | 0 | 110.9 | V77 F80 Q459 I464 Q465 G466 Y534 | V77-I462 HydrophobicContact CG2-CD1 4.38Å; F80-I462 HydrophobicContact CE2-CD1 4.19Å; Q459-I462 HydrophobicContact CB-CB 4.34Å; Q459-I462 HydrophobicContact CB-CG1 4.21Å; Q459-I462 PolarHBondContact O-N 3.22Å; I462-I464 PolarHBondContact O-N 3.31Å; I462-Q465 PolarHBondContact O-N 3.12Å; I462-G466 PolarHBondContact O-N 3.38Å; I462-Y534 HydrophobicContact CG2-CE1 3.95Å |
| 463 | Y | 90.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 24.8 Ų | 24.8 | 17% | 0.169 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 172.6 | 169.2 | -98.6 | 0 | 0 | 0 | 112.1 | I452 F455 Q456 Q459 L460 Y461 Q465 G466 V467 | I452-Y463 HydrophobicContact CG1-CE1 4.35Å; F455-Y463 HydrophobicContact CB-CE2 4.25Å; Q456-Y463 HydrophobicContact CB-CD1 4.34Å; Q456-Y463 HydrophobicContact CB-CG 4.26Å; Q459-Y463 PolarHBondContact O-N 3.31Å; L460-Y463 HydrophobicContact CD1-CD1 4.28Å; L460-Y463 PolarHBondContact O-N 3Å; Y461-Y463 VanDerWaalsContact C-N 3.32Å; Y461-Y463 PolarHBondContact O-N 3.2Å; Y463-Q465 VanDerWaalsContact C-N 3.32Å; Y463-Q465 PolarHBondContact O-N 2.9Å; Y463-G466 PolarHBondContact O-N 3.38Å; Y463-V467 HydrophobicContact CD2-CG2 4.31Å; Y463-V467 HydrophobicContact CE1-CG2 4.28Å; Y463-V467 HydrophobicContact CE2-CG2 3.88Å; Y463-V467 WeakPolarHBondContact O-CG2 3.46Å; Y463-V467 PolarHBondContact O-N 2.93Å |
| 464 | I | 91.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 179.3 | -62.1 | 155.8 | 0 | 0 | 0 | 111 | E61 V139 L460 Y461 I462 S468 | E61-I464 HydrophobicContact CB-CD1 3.97Å; E61-I464 HydrophobicContact CG-CD1 4.45Å; V139-I464 HydrophobicContact CB-CD1 4.47Å; V139-I464 HydrophobicContact CB-CG1 4.46Å; V139-I464 HydrophobicContact CG1-CD1 3.26Å; V139-I464 HydrophobicContact CG1-CG1 3.68Å; V139-I464 HydrophobicContact CG2-CD1 4.47Å; V139-I464 HydrophobicContact CG2-CG1 3.94Å; L460-I464 HydrophobicContact CD1-CD1 4.36Å; L460-I464 HydrophobicContact CD1-CG1 4.42Å; L460-I464 HydrophobicContact CG-CD1 4.02Å; L460-I464 VanDerWaalsContact O-CD1 3.32Å; L460-I464 WeakPolarHBondContact O-CD1 3.43Å; L460-I464 VanDerWaalsContact O-CG1 3.24Å; L460-I464 WeakPolarHBondContact O-CG1 3.33Å; L460-I464 PolarHBondContact O-N 2.98Å; Y461-I464 PolarHBondContact O-N 3.5Å; I462-I464 PolarHBondContact O-N 3.31Å; I464-S468 WeakPolarHBondContact O-CB 3.01Å; I464-S468 PolarHBondContact O-N 2.97Å; I464-S468 PolarHBondContact O-OG 3.44Å |
| 465 | Q | 93.4 | Very high | 90.9 | Very high | 31 Ų | 31 | 15.7 Ų | 15.7 | 15% | 0.145 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 180 | -64.5 | -64.2 | -17.7 | 0 | 0 | 111.3 | F80 Q291 Y461 I462 Y463 S468 A469 Y534 | F80-Q465 HydrophobicContact CD1-CG 4.21Å; F80-Q465 HydrophobicContact CE1-CB 4.02Å; F80-Q465 HydrophobicContact CE1-CG 3.51Å; F80-Q465 HydrophobicContact CZ-CB 4.06Å; F80-Q465 HydrophobicContact CZ-CG 3.73Å; Q291-Q465 VanDerWaalsContact NE2-OE1 3.14Å; Y461-Q465 HydrophobicContact CD1-CG 3.96Å; Y461-Q465 HydrophobicContact CE1-CG 3.83Å; Y461-Q465 VanDerWaalsContact O-CG 3.3Å; Y461-Q465 WeakPolarHBondContact O-CG 3.41Å; Y461-Q465 PolarHBondContact O-N 2.91Å; Y461-Q465 PolarHBondContact OH-NE2 3.09Å; I462-Q465 PolarHBondContact O-N 3.12Å; Y463-Q465 VanDerWaalsContact C-N 3.32Å; Y463-Q465 PolarHBondContact O-N 2.9Å; Q465-S468 PolarHBondContact O-N 3.43Å; Q465-A469 WeakPolarHBondContact O-CB 3.45Å; Q465-A469 PolarHBondContact O-N 3.49Å; Q465-Y534 HydrophobicContact CB-CE2 4.31Å |
| 466 | G | 91.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 4% | 0.041 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.1 | -51.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I462 Y463 S468 A469 Y470 | I462-G466 PolarHBondContact O-N 3.38Å; Y463-G466 PolarHBondContact O-N 3.38Å; G466-S468 VanDerWaalsContact C-N 3.3Å; G466-S468 PolarHBondContact O-N 3.24Å; G466-A469 PolarHBondContact O-N 3.34Å; G466-Y470 WeakPolarHBondContact O-CD1 3.39Å; G466-Y470 VanDerWaalsContact O-CD2 3.27Å; G466-Y470 WeakPolarHBondContact O-CD2 3.42Å; G466-Y470 WeakPolarHBondContact O-CE2 3.16Å; G466-Y470 VanDerWaalsContact O-CG 3.3Å; G466-Y470 PolarHBondContact O-N 3.5Å |
| 467 | V | 91.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 9% | 0.085 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 178.6 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | T135 Y463 Y470 L508 | T135-V467 HydrophobicContact CG2-CB 4.42Å; T135-V467 HydrophobicContact CG2-CG1 3.66Å; Y463-V467 HydrophobicContact CD2-CG2 4.31Å; Y463-V467 HydrophobicContact CE1-CG2 4.28Å; Y463-V467 HydrophobicContact CE2-CG2 3.88Å; Y463-V467 WeakPolarHBondContact O-CG2 3.46Å; Y463-V467 PolarHBondContact O-N 2.93Å; V467-Y470 PolarHBondContact O-N 2.73Å; V467-L508 HydrophobicContact CG1-CD1 4.09Å; V467-L508 HydrophobicContact CG2-CD1 4.29Å |
| 468 | S | 92.3 | Very high | 93 | Very high | 9 Ų | 9 | 12 Ų | 12 | 6% | 0.063 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | I464 Q465 G466 Y470 L471 A472 | I464-S468 WeakPolarHBondContact O-CB 3.01Å; I464-S468 PolarHBondContact O-N 2.97Å; I464-S468 PolarHBondContact O-OG 3.44Å; Q465-S468 PolarHBondContact O-N 3.43Å; G466-S468 VanDerWaalsContact C-N 3.3Å; G466-S468 PolarHBondContact O-N 3.24Å; S468-Y470 PolarHBondContact O-N 2.85Å; S468-Y470 VanDerWaalsContact O-N 3.14Å; S468-L471 PolarHBondContact O-N 3.31Å; S468-A472 WeakPolarHBondContact O-CB 3.43Å; S468-A472 PolarHBondContact O-N 3.07Å |
| 469 | A | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.9 | -18.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A294 Q465 G466 P473 Y534 A538 | A294-A469 HydrophobicContact CB-CB 4.5Å; Q465-A469 WeakPolarHBondContact O-CB 3.45Å; Q465-A469 PolarHBondContact O-N 3.49Å; G466-A469 PolarHBondContact O-N 3.34Å; A469-P473 WeakPolarHBondContact O-CD 3.48Å; A469-P473 WeakPolarHBondContact O-CG 3.11Å; A469-Y534 HydrophobicContact CB-CD2 3.62Å; A469-Y534 HydrophobicContact CB-CE2 4.23Å; A469-A538 HydrophobicContact CB-CB 4.14Å |
| 470 | Y | 93.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 10.7 Ų | 10.7 | 6% | 0.059 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -75.9 | -33 | 175.7 | -56.1 | -34.8 | 0 | 0 | 0 | 113.4 | G466 V467 S468 G504 R507 L508 T511 F537 | G466-Y470 WeakPolarHBondContact O-CD1 3.39Å; G466-Y470 VanDerWaalsContact O-CD2 3.27Å; G466-Y470 WeakPolarHBondContact O-CD2 3.42Å; G466-Y470 WeakPolarHBondContact O-CE2 3.16Å; G466-Y470 VanDerWaalsContact O-CG 3.3Å; G466-Y470 PolarHBondContact O-N 3.5Å; V467-Y470 PolarHBondContact O-N 2.73Å; S468-Y470 PolarHBondContact O-N 2.85Å; S468-Y470 VanDerWaalsContact O-N 3.14Å; Y470-G504 WeakPolarHBondContact O-CA 3.42Å; Y470-R507 HydrophobicContact CD1-CB 4.32Å; Y470-R507 HydrophobicContact CD1-CG 3.44Å; Y470-R507 VanDerWaalsContact CD1-CG 3.44Å; Y470-R507 HydrophobicContact CD2-CG 4.5Å; Y470-R507 HydrophobicContact CE1-CG 3.54Å; Y470-R507 HydrophobicContact CG-CB 4.47Å; Y470-R507 HydrophobicContact CG-CG 3.97Å; Y470-L508 HydrophobicContact CD2-CB 4.18Å; Y470-L508 HydrophobicContact CD2-CD1 4Å; Y470-L508 HydrophobicContact CE2-CD1 4.44Å; Y470-T511 HydrophobicContact CE2-CG2 4.3Å; Y470-F537 AromaticContact CD1-CD1 3.82Å; Y470-F537 HydrophobicContact CD1-CD1 3.82Å; Y470-F537 HydrophobicContact CD1-CE1 4.08Å |
| 471 | L | 92.2 | Very high | 94 | Very high | 11 Ų | 11 | 11.5 Ų | 11.5 | 6% | 0.058 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -114.9 | -28 | -171.1 | -66.2 | 172 | 0 | 0 | 0 | 113.7 | L131 S468 L501 L505 L508 | L131-L471 HydrophobicContact CD2-CB 4.06Å; L131-L471 HydrophobicContact CD2-CD1 3.57Å; L131-L471 HydrophobicContact CD2-CG 4.46Å; S468-L471 PolarHBondContact O-N 3.31Å; L471-L501 HydrophobicContact CD2-CD1 4.08Å; L471-L505 HydrophobicContact CD2-CD2 4.26Å; L471-L505 HydrophobicContact CD2-CG 4.28Å; L471-L508 HydrophobicContact CD1-CD2 4.32Å |
| 472 | A | 93.2 | Very high | 94 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.4 | -42.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | W297 S468 V475 A476 | W297-A472 HydrophobicContact CB-CB 3.77Å; W297-A472 HydrophobicContact CD2-CB 3.33Å; W297-A472 HydrophobicContact CE3-CB 3.4Å; W297-A472 VanDerWaalsContact CE3-CB 3.4Å; W297-A472 HydrophobicContact CG-CB 3.48Å; W297-A472 VanDerWaalsContact CG-CB 3.48Å; W297-A472 HydrophobicContact CZ3-CB 4.16Å; S468-A472 WeakPolarHBondContact O-CB 3.43Å; S468-A472 PolarHBondContact O-N 3.07Å; A472-V475 WeakPolarHBondContact O-CB 3.4Å; A472-V475 PolarHBondContact O-N 3.47Å; A472-V475 VanDerWaalsContact O-N 3.07Å; A472-A476 PolarHBondContact O-N 3.33Å |
| 473 | P | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | -171.5 | -21.4 | 31.7 | 0 | 0 | 0 | 114.9 | A294 A469 V475 A476 S477 A538 F542 | A294-P473 HydrophobicContact CB-CG 4.16Å; A469-P473 WeakPolarHBondContact O-CD 3.48Å; A469-P473 WeakPolarHBondContact O-CG 3.11Å; P473-V475 VanDerWaalsContact C-N 3.28Å; P473-V475 PolarHBondContact O-N 3.42Å; P473-A476 WeakPolarHBondContact O-CB 3.09Å; P473-A476 PolarHBondContact O-N 3.45Å; P473-S477 PolarHBondContact O-N 3.08Å; P473-A538 HydrophobicContact CB-CB 4.37Å; P473-A538 HydrophobicContact CG-CB 3.57Å; P473-F542 HydrophobicContact CB-CB 3.99Å; P473-F542 WeakPolarHBondContact O-CD2 3.45Å |
| 474 | P | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -56.9 | -40.3 | 172.6 | -29.1 | 37.5 | 0 | 0 | 0 | 113.4 | S477 V478 G500 S541 C545 | P474-S477 WeakPolarHBondContact O-CB 3.12Å; P474-S477 PolarHBondContact O-N 3.41Å; P474-V478 WeakPolarHBondContact O-CG2 3.34Å; P474-V478 PolarHBondContact O-N 3.22Å; P474-V478 VanDerWaalsContact O-N 3.1Å; P474-G500 VanDerWaalsContact CG-CA 3.42Å; P474-S541 WeakPolarHBondContact CD-OG 3.36Å; P474-S541 WeakPolarHBondContact CG-OG 3.23Å; P474-C545 HydrophobicContact CB-CB 4.17Å |
| 475 | V | 96 | Very high | 94.4 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 3% | 0.03 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.2 | -48.1 | 177 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | L124 L127 A472 P473 S477 V478 Y479 L497 | L124-V475 HydrophobicContact CD2-CG1 4Å; L124-V475 HydrophobicContact CD2-CG2 4.34Å; L127-V475 HydrophobicContact CD2-CG2 3.74Å; A472-V475 WeakPolarHBondContact O-CB 3.4Å; A472-V475 PolarHBondContact O-N 3.47Å; A472-V475 VanDerWaalsContact O-N 3.07Å; P473-V475 VanDerWaalsContact C-N 3.28Å; P473-V475 PolarHBondContact O-N 3.42Å; V475-S477 VanDerWaalsContact C-N 3.27Å; V475-S477 PolarHBondContact O-N 3.45Å; V475-V478 PolarHBondContact O-N 3.34Å; V475-Y479 HydrophobicContact CG1-CD2 3.68Å; V475-Y479 HydrophobicContact CG1-CE2 3.64Å; V475-Y479 WeakPolarHBondContact O-CD2 3.24Å; V475-Y479 PolarHBondContact O-N 3.06Å; V475-L497 HydrophobicContact CG2-CD2 4.25Å |
| 476 | A | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.1 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P293 I296 W297 A472 P473 Y479 L480 F542 | P293-A476 VanDerWaalsContact O-CB 3.25Å; P293-A476 WeakPolarHBondContact O-CB 3.49Å; I296-A476 HydrophobicContact CB-CB 4.28Å; I296-A476 HydrophobicContact CG2-CB 4.21Å; W297-A476 HydrophobicContact CB-CB 4Å; A472-A476 PolarHBondContact O-N 3.33Å; P473-A476 WeakPolarHBondContact O-CB 3.09Å; P473-A476 PolarHBondContact O-N 3.45Å; A476-Y479 PolarHBondContact O-N 2.89Å; A476-L480 WeakPolarHBondContact O-CB 3.24Å; A476-L480 WeakPolarHBondContact O-CG 3.45Å; A476-L480 PolarHBondContact O-N 2.9Å; A476-F542 HydrophobicContact CB-CE2 4.35Å |
| 477 | S | 96.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 4% | 0.035 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 177.9 | -163.6 | 0 | 0 | 0 | 0 | 111.4 | P473 P474 V475 Y479 L480 C481 F542 G546 | P473-S477 PolarHBondContact O-N 3.08Å; P474-S477 WeakPolarHBondContact O-CB 3.12Å; P474-S477 PolarHBondContact O-N 3.41Å; V475-S477 VanDerWaalsContact C-N 3.27Å; V475-S477 PolarHBondContact O-N 3.45Å; S477-Y479 PolarHBondContact O-N 3.06Å; S477-L480 PolarHBondContact O-N 3.28Å; S477-C481 VanDerWaalsContact O-CB 3.31Å; S477-C481 WeakPolarHBondContact O-CB 3.31Å; S477-C481 PolarHBondContact O-N 2.93Å; S477-C481 PolarHBondContact O-SG 3.16Å; S477-F542 VanDerWaalsContact CA-CE2 3.4Å; S477-F542 PolarHBondContact OG-O 3.18Å; S477-G546 WeakPolarHBondContact OG-CA 3.19Å; S477-G546 PolarHBondContact OG-N 3.39Å; S477-G546 VanDerWaalsContact OG-N 3.14Å |
| 478 | V | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | -178.6 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | M111 Y115 P474 V475 C481 A482 A493 L497 V549 | M111-V478 HydrophobicContact CE-CG1 3.75Å; Y115-V478 HydrophobicContact CE2-CG1 4.17Å; Y115-V478 PolarHBondContact OH-O 3.34Å; P474-V478 WeakPolarHBondContact O-CG2 3.34Å; P474-V478 PolarHBondContact O-N 3.22Å; P474-V478 VanDerWaalsContact O-N 3.1Å; V475-V478 PolarHBondContact O-N 3.34Å; V478-C481 WeakPolarHBondContact O-CB 3.17Å; V478-C481 PolarHBondContact O-N 3.27Å; V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.18Å; V478-A482 PolarHBondContact O-N 2.98Å; V478-A493 HydrophobicContact CG1-CB 3.63Å; V478-L497 HydrophobicContact CB-CD2 4.05Å; V478-L497 HydrophobicContact CB-CG 4.29Å; V478-L497 HydrophobicContact CG1-CD1 4.37Å; V478-L497 HydrophobicContact CG1-CG 4.37Å; V478-L497 HydrophobicContact CG2-CD2 3.59Å; V478-L497 HydrophobicContact CG2-CG 3.72Å; V478-V549 HydrophobicContact CG2-CG2 3.91Å |
| 479 | Y | 96.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.02 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 174.5 | -88.3 | -85.6 | 0 | 0 | 0 | 112.8 | Y99 L107 Y110 M111 L124 T301 V475 A476 S477 C481 A482 I483 | Y99-Y479 WeakPolarHBondContact OH-CD1 3.34Å; L107-Y479 HydrophobicContact CB-CE1 4.17Å; L107-Y479 VanDerWaalsContact CB-OH 3.32Å; L107-Y479 WeakPolarHBondContact CB-OH 3.37Å; L107-Y479 HydrophobicContact CD2-CE1 4.44Å; L107-Y479 PolarHBondContact O-OH 3.01Å; Y110-Y479 HydrophobicContact CD1-CD1 4.35Å; Y110-Y479 HydrophobicContact CD1-CE1 4.03Å; Y110-Y479 HydrophobicContact CE1-CD1 4.33Å; Y110-Y479 HydrophobicContact CE1-CE1 4.47Å; M111-Y479 HydrophobicContact CE-CD2 4.46Å; M111-Y479 HydrophobicContact CE-CE2 4.42Å; M111-Y479 HydrophobicContact CG-CD1 4.4Å; M111-Y479 HydrophobicContact CG-CE1 3.61Å; M111-Y479 HydrophobicContact CG-CE2 4.28Å; M111-Y479 WeakPolarHBondContact CG-OH 3.45Å; M111-Y479 HydrophobicContact SD-CD1 3.77Å; M111-Y479 HydrophobicContact SD-CE1 3.59Å; M111-Y479 VanDerWaalsContact SD-CE1 3.59Å; M111-Y479 HydrophobicContact SD-CE2 4.38Å; M111-Y479 HydrophobicContact SD-CG 4.25Å; L124-Y479 HydrophobicContact CD1-CE2 3.96Å; L124-Y479 HydrophobicContact CD2-CE2 4.46Å; T301-Y479 HydrophobicContact CG2-CD1 4.09Å; T301-Y479 HydrophobicContact CG2-CD2 3.72Å; T301-Y479 HydrophobicContact CG2-CE2 4.42Å; T301-Y479 HydrophobicContact CG2-CG 3.53Å; V475-Y479 HydrophobicContact CG1-CD2 3.68Å; V475-Y479 HydrophobicContact CG1-CE2 3.64Å; V475-Y479 WeakPolarHBondContact O-CD2 3.24Å; V475-Y479 PolarHBondContact O-N 3.06Å; A476-Y479 PolarHBondContact O-N 2.89Å; S477-Y479 PolarHBondContact O-N 3.06Å; Y479-C481 VanDerWaalsContact C-N 3.34Å; Y479-A482 WeakPolarHBondContact O-CB 3.24Å; Y479-A482 PolarHBondContact O-N 3.05Å; Y479-I483 PolarHBondContact O-N 2.78Å |
| 480 | L | 95.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 21 Ų | 21 | 15% | 0.147 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 173.5 | -80.2 | 170.4 | 0 | 0 | 0 | 111 | F95 I296 A476 S477 A482 I483 L484 F542 | F95-L480 HydrophobicContact CE2-CD2 3.88Å; F95-L480 HydrophobicContact CZ-CD2 3.54Å; F95-L480 HydrophobicContact CZ-CG 4.09Å; I296-L480 HydrophobicContact CD1-CD1 3.9Å; I296-L480 HydrophobicContact CG2-CD1 4.26Å; I296-L480 HydrophobicContact CG2-CD2 4.48Å; I296-L480 HydrophobicContact CG2-CG 4.26Å; A476-L480 WeakPolarHBondContact O-CB 3.24Å; A476-L480 WeakPolarHBondContact O-CG 3.45Å; A476-L480 PolarHBondContact O-N 2.9Å; S477-L480 PolarHBondContact O-N 3.28Å; L480-A482 VanDerWaalsContact C-N 3.32Å; L480-A482 PolarHBondContact O-N 2.99Å; L480-I483 PolarHBondContact O-N 3.41Å; L480-L484 HydrophobicContact CD2-CD1 4.03Å; L480-L484 VanDerWaalsContact O-CB 3.3Å; L480-L484 WeakPolarHBondContact O-CB 3.25Å; L480-L484 WeakPolarHBondContact O-CG 3.35Å; L480-L484 PolarHBondContact O-N 3.18Å; L480-F542 HydrophobicContact CD1-CE2 3.76Å; L480-F542 HydrophobicContact CD1-CZ 3.61Å |
| 481 | C | 95.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 12% | 0.122 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.9 | -43.5 | 171.6 | -83.5 | 0 | 0 | 0 | 0 | 112.2 | S477 V478 Y479 I483 N485 T488 V549 | S477-C481 VanDerWaalsContact O-CB 3.31Å; S477-C481 WeakPolarHBondContact O-CB 3.31Å; S477-C481 PolarHBondContact O-N 2.93Å; S477-C481 PolarHBondContact O-SG 3.16Å; V478-C481 WeakPolarHBondContact O-CB 3.17Å; V478-C481 PolarHBondContact O-N 3.27Å; Y479-C481 VanDerWaalsContact C-N 3.34Å; C481-I483 PolarHBondContact O-N 2.62Å; C481-N485 WeakPolarHBondContact O-CA 3.34Å; C481-N485 VanDerWaalsContact O-CB 3.25Å; C481-N485 WeakPolarHBondContact O-CB 3.21Å; C481-N485 PolarHBondContact O-N 3.44Å; C481-T488 HydrophobicContact CB-CG2 4.01Å; C481-T488 PolarHBondContact O-OG1 3.26Å; C481-V549 HydrophobicContact CB-CG1 4.32Å |
| 482 | A | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y110 M111 R114 Y115 V478 Y479 L480 | Y110-A482 HydrophobicContact CE1-CB 4.2Å; M111-A482 HydrophobicContact SD-CB 4.04Å; R114-A482 HydrophobicContact CG-CB 4.05Å; R114-A482 PolarHBondContact NE-O 3.48Å; Y115-A482 HydrophobicContact CE2-CB 3.73Å; Y115-A482 VanDerWaalsContact OH-CA 3.27Å; Y115-A482 WeakPolarHBondContact OH-CA 3.3Å; Y115-A482 WeakPolarHBondContact OH-CB 3.16Å; Y115-A482 PolarHBondContact OH-N 2.96Å; V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.18Å; V478-A482 PolarHBondContact O-N 2.98Å; Y479-A482 WeakPolarHBondContact O-CB 3.24Å; Y479-A482 PolarHBondContact O-N 3.05Å; L480-A482 VanDerWaalsContact C-N 3.32Å; L480-A482 PolarHBondContact O-N 2.99Å |
| 483 | I | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -81.7 | -43 | -175 | -73.2 | 167.5 | 0 | 0 | 0 | 112 | V94 F95 V98 Y99 Y110 Y479 L480 C481 T568 Y569 | V94-I483 HydrophobicContact CG1-CG2 4.21Å; F95-I483 HydrophobicContact CB-CD1 4.28Å; F95-I483 HydrophobicContact CD1-CD1 3.06Å; F95-I483 HydrophobicContact CD2-CD1 4.48Å; F95-I483 HydrophobicContact CE1-CD1 3.33Å; F95-I483 HydrophobicContact CG-CD1 3.71Å; F95-I483 HydrophobicContact CZ-CD1 4.16Å; V98-I483 HydrophobicContact CG2-CG2 4.14Å; Y99-I483 HydrophobicContact CE1-CD1 4.07Å; Y110-I483 HydrophobicContact CE1-CG1 4.24Å; Y110-I483 WeakPolarHBondContact OH-CG1 3.08Å; Y479-I483 PolarHBondContact O-N 2.78Å; L480-I483 PolarHBondContact O-N 3.41Å; C481-I483 PolarHBondContact O-N 2.62Å; I483-T568 WeakPolarHBondContact O-CB 3.44Å; I483-Y569 PolarHBondContact O-N 3.39Å |
| 484 | L | 94.7 | Very high | 94.4 | Very high | 77 Ų | 77 | 28.1 Ų | 28.1 | 40% | 0.403 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -94.1 | -24.8 | -171.1 | -60 | 176.9 | 0 | 0 | 0 | 113.5 | V94 L480 W570 | V94-L484 HydrophobicContact CG1-CD2 4.04Å; L480-L484 HydrophobicContact CD2-CD1 4.03Å; L480-L484 VanDerWaalsContact O-CB 3.3Å; L480-L484 WeakPolarHBondContact O-CB 3.25Å; L480-L484 WeakPolarHBondContact O-CG 3.35Å; L480-L484 PolarHBondContact O-N 3.18Å; L484-W570 PolarHBondContact O-NE1 3.34Å |
| 485 | N | 91.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 33.8 Ų | 33.8 | 31% | 0.31 | 15% | 0.148 | S | C | . | . | trans | -112.4 | 124.3 | -175 | -167.6 | -11.6 | 0 | 0 | 0 | 111.8 | R114 C481 R487 T488 | R114-N485 PolarHBondContact NH2-O 2.87Å; C481-N485 WeakPolarHBondContact O-CA 3.34Å; C481-N485 VanDerWaalsContact O-CB 3.25Å; C481-N485 WeakPolarHBondContact O-CB 3.21Å; C481-N485 PolarHBondContact O-N 3.44Å; N485-R487 VanDerWaalsContact C-N 3.32Å; N485-R487 WeakPolarHBondContact OD1-CB 3.49Å; N485-R487 PolarHBondContact OD1-N 3.46Å; N485-T488 HydrophobicContact CB-CG2 4Å | ||
| 486 | K | 91 | Very high | 94.4 | Very high | 62 Ų | 62 | 33.5 Ų | 33.5 | 27% | 0.27 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -76.4 | -17.2 | 175.8 | -63.4 | -172.9 | -178 | -167.9 | 0 | 113.4 | L564 T568 | K486-L564 HydrophobicContact CB-CD1 4.06Å; K486-T568 HydrophobicContact CG-CG2 4.48Å |
| 487 | R | 91.7 | Very high | 94.4 | Very high | 117 Ų | 117 | 33.5 Ų | 33.5 | 44% | 0.442 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -89 | -18.6 | -172 | -173.1 | 166 | -177.2 | 157.7 | -3.9 | 113.9 | N485 L554 | N485-R487 VanDerWaalsContact C-N 3.32Å; N485-R487 WeakPolarHBondContact OD1-CB 3.49Å; N485-R487 PolarHBondContact OD1-N 3.46Å; R487-L554 PolarHBondContact NH2-O 2.85Å |
| 488 | T | 92.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | trans | -67.9 | 138.9 | -173 | 54.3 | 0 | 0 | 0 | 0 | 112 | R114 Y115 C481 N485 V549 S553 | R114-T488 PolarHBondContact NH1-O 3.46Å; R114-T488 PolarHBondContact NH2-O 3.05Å; R114-T488 PolarHBondContact NH2-OG1 3.04Å; Y115-T488 WeakPolarHBondContact CE1-O 3.45Å; Y115-T488 WeakPolarHBondContact CE1-OG1 3.48Å; Y115-T488 PolarHBondContact OH-OG1 3.39Å; C481-T488 HydrophobicContact CB-CG2 4.01Å; C481-T488 PolarHBondContact O-OG1 3.26Å; N485-T488 HydrophobicContact CB-CG2 4Å; T488-V549 HydrophobicContact CG2-CG1 3.94Å; T488-S553 WeakPolarHBondContact CA-OG 3.48Å | ||
| 489 | T | 93 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | trans | -113.8 | 166.6 | -174.8 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | Y115 A493 S553 E556 L559 | Y115-T489 VanDerWaalsContact CD1-C 3.49Å; Y115-T489 WeakPolarHBondContact CD1-O 3.39Å; T489-A493 WeakPolarHBondContact O-CB 3.39Å; T489-A493 PolarHBondContact O-N 2.97Å; T489-S553 PolarHBondContact N-OG 3.43Å; T489-S553 VanDerWaalsContact N-OG 3.07Å; T489-E556 WeakPolarHBondContact CB-OE2 3.24Å; T489-E556 HydrophobicContact CG2-CB 3.85Å; T489-E556 PolarHBondContact OG1-OE2 2.95Å; T489-L559 HydrophobicContact CG2-CD1 4.05Å | ||
| 490 | E | 92.5 | Very high | 94.3 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 15% | 0.154 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | -179.1 | -168.3 | -84.6 | 166.5 | 0 | 0 | 112.3 | Y115 G116 I120 G492 A493 F494 | Y115-E490 WeakPolarHBondContact O-CB 3.14Å; G116-E490 WeakPolarHBondContact O-CG 3.44Å; I120-E490 HydrophobicContact CD1-CG 3.98Å; E490-G492 PolarHBondContact O-N 3.05Å; E490-A493 PolarHBondContact O-N 2.95Å; E490-F494 WeakPolarHBondContact O-CB 3.34Å; E490-F494 PolarHBondContact O-N 3.46Å |
| 491 | R | 91.9 | Very high | 94.2 | Very high | 140 Ų | 140 | 40 Ų | 40 | 53% | 0.528 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.7 | -42.7 | -177.3 | -62.2 | -153.4 | -169.4 | 129.8 | -16.4 | 111.7 | A493 F494 Y495 E556 | R491-A493 VanDerWaalsContact C-N 3.33Å; R491-A493 PolarHBondContact O-N 3.36Å; R491-F494 PolarHBondContact O-N 3.5Å; R491-Y495 HydrophobicContact CB-CD2 4.26Å; R491-Y495 HydrophobicContact CB-CE2 4.28Å; R491-Y495 WeakPolarHBondContact O-CD2 3.17Å; R491-Y495 PolarHBondContact O-N 2.93Å; R491-E556 VanDerWaalsContact CB-OE1 3.31Å; R491-E556 WeakPolarHBondContact CB-OE1 3.32Å; R491-E556 WeakPolarHBondContact CD-OE1 3.4Å; R491-E556 WeakPolarHBondContact CG-OE1 3.14Å; R491-E556 IonicContact CZ-OE1 3.63Å; R491-E556 IonicContact NE-OE1 2.68Å; R491-E556 PolarHBondContact NE-OE1 3.28Å; R491-E556 IonicContact NH1-OE1 3.41Å; R491-E556 PolarHBondContact NH1-OE1 3.06Å |
| 492 | G | 93.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E490 G496 V549 | E490-G492 PolarHBondContact O-N 3.05Å; G492-G496 PolarHBondContact O-N 3.45Å; G492-V549 WeakPolarHBondContact O-CG2 2.94Å |
| 493 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y115 I120 V478 T489 E490 R491 G496 L497 | Y115-A493 HydrophobicContact CD1-CB 4.25Å; Y115-A493 HydrophobicContact CD2-CB 4.09Å; Y115-A493 HydrophobicContact CE1-CB 4Å; Y115-A493 HydrophobicContact CE2-CB 3.82Å; Y115-A493 HydrophobicContact CG-CB 4.29Å; I120-A493 HydrophobicContact CD1-CB 3.66Å; V478-A493 HydrophobicContact CG1-CB 3.63Å; T489-A493 WeakPolarHBondContact O-CB 3.39Å; T489-A493 PolarHBondContact O-N 2.97Å; E490-A493 PolarHBondContact O-N 2.95Å; R491-A493 VanDerWaalsContact C-N 3.33Å; R491-A493 PolarHBondContact O-N 3.36Å; A493-G496 PolarHBondContact O-N 3.14Å; A493-L497 VanDerWaalsContact O-CG 3.31Å; A493-L497 WeakPolarHBondContact O-CG 3.49Å; A493-L497 PolarHBondContact O-N 3.09Å |
| 494 | F | 95.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -50 | -178.7 | 179.8 | -99.6 | 0 | 0 | 0 | 112.6 | R119 I120 E490 R491 G496 L497 M498 | R119-F494 HydrophobicContact CB-CD2 3.84Å; R119-F494 HydrophobicContact CB-CE2 3.82Å; I120-F494 HydrophobicContact CD1-CB 4.33Å; I120-F494 HydrophobicContact CG1-CB 4.04Å; I120-F494 HydrophobicContact CG1-CD2 4.22Å; E490-F494 WeakPolarHBondContact O-CB 3.34Å; E490-F494 PolarHBondContact O-N 3.46Å; R491-F494 PolarHBondContact O-N 3.5Å; F494-G496 VanDerWaalsContact C-N 3.35Å; F494-G496 PolarHBondContact O-N 3.05Å; F494-L497 PolarHBondContact O-N 3.4Å; F494-M498 HydrophobicContact CD1-CG 4.19Å; F494-M498 HydrophobicContact CE1-CG 3.76Å; F494-M498 HydrophobicContact CE1-SD 4.41Å; F494-M498 HydrophobicContact CE2-CE 4.02Å; F494-M498 HydrophobicContact CE2-CG 4.42Å; F494-M498 HydrophobicContact CE2-SD 4.45Å; F494-M498 HydrophobicContact CZ-CE 4.15Å; F494-M498 HydrophobicContact CZ-CG 3.89Å; F494-M498 HydrophobicContact CZ-SD 3.98Å; F494-M498 WeakPolarHBondContact O-CG 3.1Å; F494-M498 PolarHBondContact O-N 2.81Å |
| 495 | Y | 94.9 | Very high | 94.3 | Very high | 120 Ų | 120 | 45.2 Ų | 45.2 | 47% | 0.471 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.7 | -33.3 | 179.3 | -72.6 | -65.6 | 0 | 0 | 0 | 112.5 | R491 L497 M498 Y499 L552 | R491-Y495 HydrophobicContact CB-CD2 4.26Å; R491-Y495 HydrophobicContact CB-CE2 4.28Å; R491-Y495 WeakPolarHBondContact O-CD2 3.17Å; R491-Y495 PolarHBondContact O-N 2.93Å; Y495-L497 VanDerWaalsContact C-N 3.35Å; Y495-M498 PolarHBondContact O-N 3.3Å; Y495-Y499 WeakPolarHBondContact O-CB 3.16Å; Y495-Y499 PolarHBondContact O-N 3.4Å; Y495-L552 HydrophobicContact CD2-CD1 4.24Å; Y495-L552 HydrophobicContact CG-CD1 4.26Å |
| 496 | G | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G492 A493 F494 G500 C545 | G492-G496 PolarHBondContact O-N 3.45Å; A493-G496 PolarHBondContact O-N 3.14Å; F494-G496 VanDerWaalsContact C-N 3.35Å; F494-G496 PolarHBondContact O-N 3.05Å; G496-G500 PolarHBondContact O-N 2.91Å; G496-C545 VanDerWaalsContact C-SG 3.58Å; G496-C545 PolarHBondContact O-SG 3.49Å |
| 497 | L | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 174.9 | -72.1 | 172 | 0 | 0 | 0 | 112.5 | I120 Y123 L124 V475 V478 A493 F494 Y495 G500 L501 | I120-L497 HydrophobicContact CG2-CD1 4.04Å; Y123-L497 HydrophobicContact CD1-CB 4.28Å; Y123-L497 HydrophobicContact CD1-CD1 3.88Å; Y123-L497 HydrophobicContact CE1-CB 3.67Å; Y123-L497 HydrophobicContact CE1-CD1 3.82Å; Y123-L497 HydrophobicContact CE1-CD2 3.99Å; Y123-L497 HydrophobicContact CE1-CG 4.02Å; Y123-L497 PolarHBondContact OH-O 3.07Å; Y123-L497 VanDerWaalsContact OH-O 3.07Å; L124-L497 HydrophobicContact CD2-CD1 4.13Å; L124-L497 HydrophobicContact CD2-CD2 4.33Å; L124-L497 HydrophobicContact CG-CD1 4.4Å; V475-L497 HydrophobicContact CG2-CD2 4.25Å; V478-L497 HydrophobicContact CB-CD2 4.05Å; V478-L497 HydrophobicContact CB-CG 4.29Å; V478-L497 HydrophobicContact CG1-CD1 4.37Å; V478-L497 HydrophobicContact CG1-CG 4.37Å; V478-L497 HydrophobicContact CG2-CD2 3.59Å; V478-L497 HydrophobicContact CG2-CG 3.72Å; A493-L497 VanDerWaalsContact O-CG 3.31Å; A493-L497 WeakPolarHBondContact O-CG 3.49Å; A493-L497 PolarHBondContact O-N 3.09Å; F494-L497 PolarHBondContact O-N 3.4Å; Y495-L497 VanDerWaalsContact C-N 3.35Å; L497-G500 PolarHBondContact O-N 3.21Å; L497-L501 WeakPolarHBondContact O-CB 3.37Å; L497-L501 PolarHBondContact O-N 3.38Å |
| 498 | M | 96 | Very high | 94.6 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 24% | 0.236 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.8 | -71.4 | -61.9 | 100.8 | 0 | 0 | 111.8 | Y123 F494 Y495 G500 L501 I502 | Y123-M498 HydrophobicContact CD2-CE 3.14Å; Y123-M498 HydrophobicContact CE2-CE 3.1Å; Y123-M498 HydrophobicContact CG-CE 4.01Å; F494-M498 HydrophobicContact CD1-CG 4.19Å; F494-M498 HydrophobicContact CE1-CG 3.76Å; F494-M498 HydrophobicContact CE1-SD 4.41Å; F494-M498 HydrophobicContact CE2-CE 4.02Å; F494-M498 HydrophobicContact CE2-CG 4.42Å; F494-M498 HydrophobicContact CE2-SD 4.45Å; F494-M498 HydrophobicContact CZ-CE 4.15Å; F494-M498 HydrophobicContact CZ-CG 3.89Å; F494-M498 HydrophobicContact CZ-SD 3.98Å; F494-M498 WeakPolarHBondContact O-CG 3.1Å; F494-M498 PolarHBondContact O-N 2.81Å; Y495-M498 PolarHBondContact O-N 3.3Å; M498-G500 VanDerWaalsContact C-N 3.33Å; M498-G500 PolarHBondContact O-N 2.95Å; M498-L501 PolarHBondContact O-N 3.47Å; M498-I502 VanDerWaalsContact O-CG1 3.28Å; M498-I502 WeakPolarHBondContact O-CG1 3.15Å; M498-I502 PolarHBondContact O-N 3.06Å |
| 499 | Y | 96.5 | Very high | 94.5 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 32% | 0.318 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.8 | -47.9 | 174.1 | 165.1 | -93.2 | 0 | 0 | 0 | 111.3 | Y495 L501 I502 T503 T544 C545 I548 | Y495-Y499 WeakPolarHBondContact O-CB 3.16Å; Y495-Y499 PolarHBondContact O-N 3.4Å; Y499-L501 PolarHBondContact O-N 3.38Å; Y499-I502 PolarHBondContact O-N 3.49Å; Y499-T503 HydrophobicContact CD2-CG2 4.01Å; Y499-T503 HydrophobicContact CE1-CG2 4.33Å; Y499-T503 HydrophobicContact CE2-CG2 3.61Å; Y499-T503 WeakPolarHBondContact O-CB 3.42Å; Y499-T503 WeakPolarHBondContact O-CG2 3.3Å; Y499-T503 PolarHBondContact O-N 3.08Å; Y499-T503 PolarHBondContact O-OG1 2.99Å; Y499-T544 WeakPolarHBondContact CE1-OG1 3.41Å; Y499-T544 WeakPolarHBondContact OH-CB 3.28Å; Y499-T544 PolarHBondContact OH-OG1 2.97Å; Y499-C545 HydrophobicContact CD1-CB 4.46Å; Y499-I548 HydrophobicContact CD1-CD1 3.6Å; Y499-I548 HydrophobicContact CD2-CD1 3.65Å; Y499-I548 HydrophobicContact CE1-CD1 3.97Å; Y499-I548 HydrophobicContact CE2-CD1 4Å; Y499-I548 HydrophobicContact CG-CD1 3.42Å; Y499-I548 VanDerWaalsContact CG-CD1 3.42Å |
| 500 | G | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P474 G496 L497 M498 T503 G504 | P474-G500 VanDerWaalsContact CG-CA 3.42Å; G496-G500 PolarHBondContact O-N 2.91Å; L497-G500 PolarHBondContact O-N 3.21Å; M498-G500 VanDerWaalsContact C-N 3.33Å; M498-G500 PolarHBondContact O-N 2.95Å; G500-T503 PolarHBondContact O-OG1 3.04Å; G500-G504 PolarHBondContact O-N 3.16Å |
| 501 | L | 95.1 | Very high | 94.3 | Very high | 42 Ų | 42 | 47 Ų | 47 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -49 | 177.3 | -177 | 62.7 | 0 | 0 | 0 | 111.5 | Y123 L127 L471 L497 M498 Y499 G504 L505 | Y123-L501 HydrophobicContact CE2-CB 4.24Å; Y123-L501 HydrophobicContact CE2-CD2 3.71Å; Y123-L501 HydrophobicContact CE2-CG 4.45Å; Y123-L501 WeakPolarHBondContact OH-CB 3.45Å; L127-L501 HydrophobicContact CD1-CD1 3.95Å; L471-L501 HydrophobicContact CD2-CD1 4.08Å; L497-L501 WeakPolarHBondContact O-CB 3.37Å; L497-L501 PolarHBondContact O-N 3.38Å; M498-L501 PolarHBondContact O-N 3.47Å; Y499-L501 PolarHBondContact O-N 3.38Å; L501-G504 PolarHBondContact O-N 3.17Å; L501-L505 HydrophobicContact CD1-CD1 3.83Å; L501-L505 HydrophobicContact CD1-CG 3.92Å; L501-L505 HydrophobicContact CD2-CD1 4.43Å; L501-L505 HydrophobicContact CG-CD1 3.83Å; L501-L505 HydrophobicContact CG-CG 4.26Å; L501-L505 VanDerWaalsContact O-CB 3.3Å; L501-L505 WeakPolarHBondContact O-CB 3.49Å; L501-L505 VanDerWaalsContact O-CG 3.26Å; L501-L505 WeakPolarHBondContact O-CG 3.33Å; L501-L505 PolarHBondContact O-N 3.24Å |
| 502 | I | 96.2 | Very high | 94.1 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 52% | 0.518 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.1 | -49.8 | -176.4 | -67.6 | 167.1 | 0 | 0 | 0 | 110 | M498 Y499 G504 L505 I506 | M498-I502 VanDerWaalsContact O-CG1 3.28Å; M498-I502 WeakPolarHBondContact O-CG1 3.15Å; M498-I502 PolarHBondContact O-N 3.06Å; Y499-I502 PolarHBondContact O-N 3.49Å; I502-G504 PolarHBondContact O-N 2.8Å; I502-L505 PolarHBondContact O-N 3.02Å; I502-I506 HydrophobicContact CG2-CD1 3.78Å; I502-I506 WeakPolarHBondContact O-CB 3.46Å; I502-I506 WeakPolarHBondContact O-CD1 3.34Å; I502-I506 WeakPolarHBondContact O-CG1 3.08Å; I502-I506 PolarHBondContact O-N 3.07Å |
| 503 | T | 95.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 179.3 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | Y499 G500 I506 R507 | Y499-T503 HydrophobicContact CD2-CG2 4.01Å; Y499-T503 HydrophobicContact CE1-CG2 4.33Å; Y499-T503 HydrophobicContact CE2-CG2 3.61Å; Y499-T503 WeakPolarHBondContact O-CB 3.42Å; Y499-T503 WeakPolarHBondContact O-CG2 3.3Å; Y499-T503 PolarHBondContact O-N 3.08Å; Y499-T503 PolarHBondContact O-OG1 2.99Å; G500-T503 PolarHBondContact O-OG1 3.04Å; T503-I506 PolarHBondContact O-N 3.24Å; T503-R507 PolarHBondContact O-N 3.04Å |
| 504 | G | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y470 G500 L501 I502 R507 L508 | Y470-G504 WeakPolarHBondContact O-CA 3.42Å; G500-G504 PolarHBondContact O-N 3.16Å; L501-G504 PolarHBondContact O-N 3.17Å; I502-G504 PolarHBondContact O-N 2.8Å; G504-R507 PolarHBondContact O-N 3.15Å; G504-L508 WeakPolarHBondContact O-CB 3.39Å; G504-L508 PolarHBondContact O-N 3.22Å |
| 505 | L | 93.8 | Very high | 93.1 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 176.2 | -75 | 177.8 | 0 | 0 | 0 | 111.9 | L471 L501 I502 L508 I509 | L471-L505 HydrophobicContact CD2-CD2 4.26Å; L471-L505 HydrophobicContact CD2-CG 4.28Å; L501-L505 HydrophobicContact CD1-CD1 3.83Å; L501-L505 HydrophobicContact CD1-CG 3.92Å; L501-L505 HydrophobicContact CD2-CD1 4.43Å; L501-L505 HydrophobicContact CG-CD1 3.83Å; L501-L505 HydrophobicContact CG-CG 4.26Å; L501-L505 VanDerWaalsContact O-CB 3.3Å; L501-L505 WeakPolarHBondContact O-CB 3.49Å; L501-L505 VanDerWaalsContact O-CG 3.26Å; L501-L505 WeakPolarHBondContact O-CG 3.33Å; L501-L505 PolarHBondContact O-N 3.24Å; I502-L505 PolarHBondContact O-N 3.02Å; L505-L508 HydrophobicContact CD2-CD2 4.5Å; L505-L508 PolarHBondContact O-N 3.37Å; L505-I509 WeakPolarHBondContact O-CB 3.04Å; L505-I509 VanDerWaalsContact O-CG1 3.23Å; L505-I509 WeakPolarHBondContact O-CG1 3.3Å; L505-I509 PolarHBondContact O-N 3.44Å |
| 506 | I | 94.9 | Very high | 92.5 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 174.3 | -70.3 | 165.5 | 0 | 0 | 0 | 109.7 | I502 T503 L508 I509 L510 | I502-I506 HydrophobicContact CG2-CD1 3.78Å; I502-I506 WeakPolarHBondContact O-CB 3.46Å; I502-I506 WeakPolarHBondContact O-CD1 3.34Å; I502-I506 WeakPolarHBondContact O-CG1 3.08Å; I502-I506 PolarHBondContact O-N 3.07Å; T503-I506 PolarHBondContact O-N 3.24Å; I506-L508 PolarHBondContact O-N 2.87Å; I506-I509 PolarHBondContact O-N 3.13Å; I506-L510 HydrophobicContact CG2-CD1 3.79Å; I506-L510 HydrophobicContact CG2-CG 4.33Å; I506-L510 WeakPolarHBondContact O-CB 3.49Å; I506-L510 WeakPolarHBondContact O-CG 3.49Å; I506-L510 PolarHBondContact O-N 3.37Å |
| 507 | R | 94.3 | Very high | 92.1 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 5% | 0.053 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.3 | -177.3 | 62 | 167.6 | 114.4 | -14.7 | 112 | Y470 T503 G504 T511 I529 I532 F537 | Y470-R507 HydrophobicContact CD1-CB 4.32Å; Y470-R507 HydrophobicContact CD1-CG 3.44Å; Y470-R507 VanDerWaalsContact CD1-CG 3.44Å; Y470-R507 HydrophobicContact CD2-CG 4.5Å; Y470-R507 HydrophobicContact CE1-CG 3.54Å; Y470-R507 HydrophobicContact CG-CB 4.47Å; Y470-R507 HydrophobicContact CG-CG 3.97Å; T503-R507 PolarHBondContact O-N 3.04Å; G504-R507 PolarHBondContact O-N 3.15Å; R507-T511 PolarHBondContact NH1-OG1 3.28Å; R507-T511 WeakPolarHBondContact O-CB 3.28Å; R507-T511 PolarHBondContact O-N 3.46Å; R507-T511 PolarHBondContact O-OG1 3.27Å; R507-I529 PolarHBondContact NH2-O 2.95Å; R507-I532 PolarHBondContact NH2-O 3.28Å; R507-F537 HydrophobicContact CB-CD2 4.37Å; R507-F537 HydrophobicContact CB-CE1 4.04Å; R507-F537 HydrophobicContact CB-CE2 3.72Å; R507-F537 HydrophobicContact CB-CZ 3.52Å; R507-F537 HydrophobicContact CG-CD1 4.18Å; R507-F537 HydrophobicContact CG-CD2 4.01Å; R507-F537 HydrophobicContact CG-CE1 4.06Å; R507-F537 HydrophobicContact CG-CE2 3.88Å; R507-F537 HydrophobicContact CG-CG 4.16Å; R507-F537 HydrophobicContact CG-CZ 3.9Å |
| 508 | L | 91.5 | Very high | 91.6 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -51.3 | 178.8 | 178.1 | 62.8 | 0 | 0 | 0 | 111.8 | V467 Y470 L471 G504 L505 I506 L510 T511 I512 | V467-L508 HydrophobicContact CG1-CD1 4.09Å; V467-L508 HydrophobicContact CG2-CD1 4.29Å; Y470-L508 HydrophobicContact CD2-CB 4.18Å; Y470-L508 HydrophobicContact CD2-CD1 4Å; Y470-L508 HydrophobicContact CE2-CD1 4.44Å; L471-L508 HydrophobicContact CD1-CD2 4.32Å; G504-L508 WeakPolarHBondContact O-CB 3.39Å; G504-L508 PolarHBondContact O-N 3.22Å; L505-L508 HydrophobicContact CD2-CD2 4.5Å; L505-L508 PolarHBondContact O-N 3.37Å; I506-L508 PolarHBondContact O-N 2.87Å; L508-L510 VanDerWaalsContact C-N 3.32Å; L508-L510 PolarHBondContact O-N 3.08Å; L508-T511 PolarHBondContact O-N 3.05Å; L508-T511 VanDerWaalsContact O-N 3.12Å; L508-I512 HydrophobicContact CD1-CD1 4.13Å; L508-I512 HydrophobicContact CG-CD1 4.12Å; L508-I512 WeakPolarHBondContact O-CG1 3.46Å; L508-I512 PolarHBondContact O-N 3.07Å |
| 509 | I | 91.8 | Very high | 91.1 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 178.9 | -69.2 | 165.5 | 0 | 0 | 0 | 110.1 | L505 I506 T511 I512 I513 | L505-I509 WeakPolarHBondContact O-CB 3.04Å; L505-I509 VanDerWaalsContact O-CG1 3.23Å; L505-I509 WeakPolarHBondContact O-CG1 3.3Å; L505-I509 PolarHBondContact O-N 3.44Å; I506-I509 PolarHBondContact O-N 3.13Å; I509-T511 VanDerWaalsContact C-N 3.29Å; I509-T511 PolarHBondContact O-N 2.89Å; I509-I512 PolarHBondContact O-N 3.29Å; I509-I513 HydrophobicContact CG2-CD1 3.64Å; I509-I513 HydrophobicContact CG2-CG1 4.36Å; I509-I513 WeakPolarHBondContact O-CG1 3.31Å; I509-I513 PolarHBondContact O-N 3.03Å |
| 510 | L | 92.5 | Very high | 90.1 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 176.5 | -79.1 | 179.4 | 0 | 0 | 0 | 112 | I506 L508 I512 I513 Y514 I529 | I506-L510 HydrophobicContact CG2-CD1 3.79Å; I506-L510 HydrophobicContact CG2-CG 4.33Å; I506-L510 WeakPolarHBondContact O-CB 3.49Å; I506-L510 WeakPolarHBondContact O-CG 3.49Å; I506-L510 PolarHBondContact O-N 3.37Å; L508-L510 VanDerWaalsContact C-N 3.32Å; L508-L510 PolarHBondContact O-N 3.08Å; L510-I512 VanDerWaalsContact C-N 3.34Å; L510-I512 PolarHBondContact O-N 3.4Å; L510-I513 PolarHBondContact O-N 3.34Å; L510-Y514 HydrophobicContact CD2-CD2 4.19Å; L510-Y514 HydrophobicContact CD2-CE2 4.08Å; L510-Y514 WeakPolarHBondContact O-CB 3.18Å; L510-Y514 WeakPolarHBondContact O-CD2 3.33Å; L510-Y514 PolarHBondContact O-N 3.46Å; L510-I529 HydrophobicContact CB-CD1 3.62Å; L510-I529 HydrophobicContact CB-CG1 4.28Å; L510-I529 WeakPolarHBondContact O-CD1 3.4Å |
| 511 | T | 89.2 | Confident | 89.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.221 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.4 | -32.7 | 178.4 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | Y470 R507 L508 I509 Y514 H515 | Y470-T511 HydrophobicContact CE2-CG2 4.3Å; R507-T511 PolarHBondContact NH1-OG1 3.28Å; R507-T511 WeakPolarHBondContact O-CB 3.28Å; R507-T511 PolarHBondContact O-N 3.46Å; R507-T511 PolarHBondContact O-OG1 3.27Å; L508-T511 PolarHBondContact O-N 3.05Å; L508-T511 VanDerWaalsContact O-N 3.12Å; I509-T511 VanDerWaalsContact C-N 3.29Å; I509-T511 PolarHBondContact O-N 2.89Å; T511-Y514 CarbonylContact O-C 3.58Å; T511-H515 WeakPolarHBondContact O-CA 3.21Å; T511-H515 PolarHBondContact O-N 3.42Å |
| 512 | I | 86.8 | Confident | 89.1 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.9 | -41.6 | 175.7 | -66.7 | 167.9 | 0 | 0 | 0 | 110.8 | W448 F455 L508 I509 L510 | W448-I512 HydrophobicContact CH2-CD1 4.48Å; F455-I512 HydrophobicContact CE2-CG2 4.23Å; F455-I512 HydrophobicContact CZ-CG2 4.15Å; L508-I512 HydrophobicContact CD1-CD1 4.13Å; L508-I512 HydrophobicContact CG-CD1 4.12Å; L508-I512 WeakPolarHBondContact O-CG1 3.46Å; L508-I512 PolarHBondContact O-N 3.07Å; I509-I512 PolarHBondContact O-N 3.29Å; L510-I512 VanDerWaalsContact C-N 3.34Å; L510-I512 PolarHBondContact O-N 3.4Å |
| 513 | I | 89.4 | Confident | 88.7 | Confident | 103 Ų | 103 | 64.7 Ų | 64.7 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.7 | -47.9 | 178.4 | -65.8 | 169 | 0 | 0 | 0 | 110.5 | I509 L510 | I509-I513 HydrophobicContact CG2-CD1 3.64Å; I509-I513 HydrophobicContact CG2-CG1 4.36Å; I509-I513 WeakPolarHBondContact O-CG1 3.31Å; I509-I513 PolarHBondContact O-N 3.03Å; L510-I513 PolarHBondContact O-N 3.34Å |
| 514 | Y | 88.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 68 | -178.4 | -62.3 | -78.5 | 0 | 0 | 0 | 109.4 | L510 T511 R525 P526 I529 | L510-Y514 HydrophobicContact CD2-CD2 4.19Å; L510-Y514 HydrophobicContact CD2-CE2 4.08Å; L510-Y514 WeakPolarHBondContact O-CB 3.18Å; L510-Y514 WeakPolarHBondContact O-CD2 3.33Å; L510-Y514 PolarHBondContact O-N 3.46Å; T511-Y514 CarbonylContact O-C 3.58Å; Y514-R525 VanDerWaalsContact O-CD 3.26Å; Y514-R525 WeakPolarHBondContact O-CD 3.24Å; Y514-R525 WeakPolarHBondContact O-CG 3.33Å; Y514-P526 HydrophobicContact CD2-CG 4.08Å; Y514-P526 HydrophobicContact CE2-CG 4.29Å; Y514-P526 VanDerWaalsContact CG-CD 3.48Å; Y514-P526 HydrophobicContact CG-CG 4.32Å; Y514-I529 HydrophobicContact CD2-CD1 3.92Å; Y514-I529 HydrophobicContact CG-CD1 4.18Å |
| 515 | H | 84.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 159.6 | 178.5 | 66.3 | -83.8 | 0 | 0 | 0 | 111.5 | F455 T511 R525 | F455-H515 HydrophobicContact CD1-CB 3.8Å; F455-H515 HydrophobicContact CE1-CB 4.09Å; T511-H515 WeakPolarHBondContact O-CA 3.21Å; T511-H515 PolarHBondContact O-N 3.42Å; H515-R525 WeakPolarHBondContact O-CD 3.43Å |
| 516 | E | 83.9 | Confident | 88.1 | Confident | 133 Ų | 133 | 69.6 Ų | 69.6 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 124.6 | 177.8 | -175 | 165.5 | -151 | 0 | 0 | 110.4 | ||
| 517 | P | 86.4 | Confident | 87.9 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 156.9 | -179.8 | 29.4 | -37.7 | 0 | 0 | 0 | 111.2 | E521 D523 | P517-E521 HydrophobicContact CB-CB 3.96Å; P517-D523 HydrophobicContact CG-CB 3.97Å |
| 518 | V | 85.5 | Confident | 87.7 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 144.8 | 169.6 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | P355 K366 G520 E521 | P355-V518 HydrophobicContact CB-CG1 4.2Å; K366-V518 HydrophobicContact CB-CG1 4.49Å; K366-V518 HydrophobicContact CB-CG2 3.95Å; V518-G520 PolarHBondContact O-N 3.22Å; V518-G520 VanDerWaalsContact O-N 3.11Å; V518-E521 HydrophobicContact CB-CG 4.4Å; V518-E521 PolarHBondContact N-OE2 3.25Å; V518-E521 WeakPolarHBondContact O-CB 3.49Å; V518-E521 PolarHBondContact O-N 2.87Å |
| 519 | C | 85.3 | Confident | 87.6 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 25% | 0.25 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 123.2 | -179.1 | 177 | 0 | 0 | 0 | 0 | 112.2 | S259 C263 P355 | S259-C519 VanDerWaalsContact C-SG 3.57Å; S259-C519 PolarHBondContact O-SG 2.84Å; C263-C519 HydrophobicContact CB-CB 3.51Å; C263-C519 WeakPolarHBondContact CB-SG 3.27Å; C263-C519 WeakPolarHBondContact SG-CB 3.32Å; C263-C519 CovalentContact SG-SG 2.01Å; C263-C519 PolarHBondContact SG-SG 3.44Å; P355-C519 HydrophobicContact CB-CB 4.14Å; P355-C519 HydrophobicContact CG-CB 4.28Å |
| 520 | G | 77.4 | Confident | 87.4 | Confident | 56 Ų | 56 | 75.7 Ų | 75.7 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.4 | -14.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V518 | V518-G520 PolarHBondContact O-N 3.22Å; V518-G520 VanDerWaalsContact O-N 3.11Å |
| 521 | E | 85 | Confident | 87.2 | Confident | 118 Ų | 118 | 78.7 Ų | 78.7 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -80.8 | 154.6 | 170.6 | -64.9 | 177.6 | 164.3 | 0 | 0 | 111.1 | P517 V518 D523 | P517-E521 HydrophobicContact CB-CB 3.96Å; V518-E521 HydrophobicContact CB-CG 4.4Å; V518-E521 PolarHBondContact N-OE2 3.25Å; V518-E521 WeakPolarHBondContact O-CB 3.49Å; V518-E521 PolarHBondContact O-N 2.87Å; E521-D523 PolarHBondContact O-N 2.82Å |
| 522 | E | 84.9 | Confident | 87.3 | Confident | 158 Ų | 158 | 79 Ų | 79 | 74% | 0.738 | 40% | 0.395 | S | S | * | . | trans | -69 | 126.9 | 179.9 | -172 | 174.8 | -171.2 | 0 | 0 | 111.2 | N524 | E522-N524 PolarHBondContact O-N 3.43Å; E522-N524 VanDerWaalsContact O-N 3.08Å | ||
| 523 | D | 86.2 | Confident | 87.6 | Confident | 39 Ų | 39 | 77.9 Ų | 77.9 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | trans | -81.5 | 90 | 179.9 | -169.8 | -5.8 | 0 | 0 | 0 | 111.6 | P517 E521 R525 K530 | P517-D523 HydrophobicContact CG-CB 3.97Å; E521-D523 PolarHBondContact O-N 2.82Å; D523-R525 PolarHBondContact O-N 3.04Å; D523-R525 WeakPolarHBondContact OD1-CB 3.49Å; D523-R525 WeakPolarHBondContact OD1-CG 3.32Å; D523-R525 IonicContact OD1-CZ 3.64Å; D523-R525 PolarHBondContact OD1-N 3.38Å; D523-R525 VanDerWaalsContact OD1-N 3.1Å; D523-R525 IonicContact OD1-NE 2.71Å; D523-R525 PolarHBondContact OD1-NE 2.89Å; D523-R525 IonicContact OD1-NH2 2.63Å; D523-R525 IonicContact OD2-CZ 2.69Å; D523-R525 IonicContact OD2-NE 3.91Å; D523-R525 PolarHBondContact OD2-NE 3.18Å; D523-R525 IonicContact OD2-NH2 3.64Å; D523-R525 PolarHBondContact OD2-NH2 3.14Å; D523-K530 WeakPolarHBondContact OD2-CE 3.31Å; D523-K530 WeakPolarHBondContact OD2-CG 3.26Å | ||
| 524 | N | 88.4 | Confident | 87.8 | Confident | 117 Ų | 117 | 73.7 Ų | 73.7 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | trans | -79.3 | 5.5 | 177.5 | -69 | -45.7 | 0 | 0 | 0 | 114.1 | E522 | E522-N524 PolarHBondContact O-N 3.43Å; E522-N524 VanDerWaalsContact O-N 3.08Å | ||
| 525 | R | 91.6 | Very high | 88.2 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 18% | 0.177 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -68.6 | 138.9 | -179.7 | -58.2 | 179.1 | -66.7 | -178.8 | -2.2 | 109.7 | Y514 H515 D523 I529 K530 | Y514-R525 VanDerWaalsContact O-CD 3.26Å; Y514-R525 WeakPolarHBondContact O-CD 3.24Å; Y514-R525 WeakPolarHBondContact O-CG 3.33Å; H515-R525 WeakPolarHBondContact O-CD 3.43Å; D523-R525 PolarHBondContact O-N 3.04Å; D523-R525 WeakPolarHBondContact OD1-CB 3.49Å; D523-R525 WeakPolarHBondContact OD1-CG 3.32Å; D523-R525 IonicContact OD1-CZ 3.64Å; D523-R525 PolarHBondContact OD1-N 3.38Å; D523-R525 VanDerWaalsContact OD1-N 3.1Å; D523-R525 IonicContact OD1-NE 2.71Å; D523-R525 PolarHBondContact OD1-NE 2.89Å; D523-R525 IonicContact OD1-NH2 2.63Å; D523-R525 IonicContact OD2-CZ 2.69Å; D523-R525 IonicContact OD2-NE 3.91Å; D523-R525 PolarHBondContact OD2-NE 3.18Å; D523-R525 IonicContact OD2-NH2 3.64Å; D523-R525 PolarHBondContact OD2-NH2 3.14Å; R525-I529 HydrophobicContact CB-CB 4.31Å; R525-I529 HydrophobicContact CB-CG2 4.15Å; R525-I529 HydrophobicContact CG-CG2 4.4Å; R525-K530 HydrophobicContact CB-CB 4.31Å |
| 526 | P | 92.4 | Very high | 88.7 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -59.1 | 149.2 | 173.9 | 25.7 | -35.1 | 0 | 0 | 0 | 110.6 | Y514 I528 I529 K530 | Y514-P526 HydrophobicContact CD2-CG 4.08Å; Y514-P526 HydrophobicContact CE2-CG 4.29Å; Y514-P526 VanDerWaalsContact CG-CD 3.48Å; Y514-P526 HydrophobicContact CG-CG 4.32Å; P526-I528 HydrophobicContact CB-CG2 4.48Å; P526-I528 HydrophobicContact CG-CG2 4.41Å; P526-I528 PolarHBondContact O-N 2.85Å; P526-I529 HydrophobicContact CG-CB 4.33Å; P526-I529 HydrophobicContact CG-CD1 3.48Å; P526-I529 VanDerWaalsContact CG-CD1 3.48Å; P526-I529 HydrophobicContact CG-CG1 3.88Å; P526-I529 PolarHBondContact O-N 2.98Å; P526-K530 PolarHBondContact O-N 3.07Å; P526-K530 VanDerWaalsContact O-N 3.07Å | ||
| 527 | W | 91.4 | Very high | 89.3 | Confident | 176 Ų | 176 | 61.6 Ų | 61.6 | 67% | 0.667 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -48.3 | -35.9 | -177.1 | 69.2 | -91.1 | 0 | 0 | 0 | 113.4 | I529 K530 D531 I532 | W527-I529 VanDerWaalsContact C-N 3.26Å; W527-I529 PolarHBondContact O-N 3.37Å; W527-K530 PolarHBondContact O-N 3.31Å; W527-D531 WeakPolarHBondContact O-CB 3.29Å; W527-D531 PolarHBondContact O-N 2.96Å; W527-I532 HydrophobicContact CZ3-CD1 4.06Å |
| 528 | I | 88.5 | Confident | 89.7 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 36% | 0.359 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -25.9 | -179.8 | -155.3 | 171.5 | 0 | 0 | 0 | 113.6 | P526 I532 | P526-I528 HydrophobicContact CB-CG2 4.48Å; P526-I528 HydrophobicContact CG-CG2 4.41Å; P526-I528 PolarHBondContact O-N 2.85Å; I528-I532 HydrophobicContact CG1-CD1 3.8Å; I528-I532 WeakPolarHBondContact O-CB 3.4Å |
| 529 | I | 89.3 | Confident | 90.2 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -92 | -42.2 | 177.6 | -62.6 | 174.9 | 0 | 0 | 0 | 109.9 | R507 L510 Y514 R525 P526 W527 | R507-I529 PolarHBondContact NH2-O 2.95Å; L510-I529 HydrophobicContact CB-CD1 3.62Å; L510-I529 HydrophobicContact CB-CG1 4.28Å; L510-I529 WeakPolarHBondContact O-CD1 3.4Å; Y514-I529 HydrophobicContact CD2-CD1 3.92Å; Y514-I529 HydrophobicContact CG-CD1 4.18Å; R525-I529 HydrophobicContact CB-CB 4.31Å; R525-I529 HydrophobicContact CB-CG2 4.15Å; R525-I529 HydrophobicContact CG-CG2 4.4Å; P526-I529 HydrophobicContact CG-CB 4.33Å; P526-I529 HydrophobicContact CG-CD1 3.48Å; P526-I529 VanDerWaalsContact CG-CD1 3.48Å; P526-I529 HydrophobicContact CG-CG1 3.88Å; P526-I529 PolarHBondContact O-N 2.98Å; W527-I529 VanDerWaalsContact C-N 3.26Å; W527-I529 PolarHBondContact O-N 3.37Å |
| 530 | K | 88.2 | Confident | 90.7 | Very high | 101 Ų | 101 | 64.3 Ų | 64.3 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.4 | -50 | -175.1 | -177.4 | 176.2 | -177.7 | 171.7 | 0 | 112.5 | D523 R525 P526 W527 | D523-K530 WeakPolarHBondContact OD2-CE 3.31Å; D523-K530 WeakPolarHBondContact OD2-CG 3.26Å; R525-K530 HydrophobicContact CB-CB 4.31Å; P526-K530 PolarHBondContact O-N 3.07Å; P526-K530 VanDerWaalsContact O-N 3.07Å; W527-K530 PolarHBondContact O-N 3.31Å |
| 531 | D | 88.4 | Confident | 91.6 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 59% | 0.594 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -27.1 | -170 | -55.2 | -35.7 | 0 | 0 | 0 | 112.4 | W527 H533 | W527-D531 WeakPolarHBondContact O-CB 3.29Å; W527-D531 PolarHBondContact O-N 2.96Å; D531-H533 PolarHBondContact O-N 3.08Å |
| 532 | I | 92.1 | Very high | 92.2 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -92.2 | 96.4 | 178.1 | -49.4 | -176.4 | 0 | 0 | 0 | 110.2 | R507 W527 I528 F537 | R507-I532 PolarHBondContact NH2-O 3.28Å; W527-I532 HydrophobicContact CZ3-CD1 4.06Å; I528-I532 HydrophobicContact CG1-CD1 3.8Å; I528-I532 WeakPolarHBondContact O-CB 3.4Å; I532-F537 HydrophobicContact CG2-CB 4.47Å |
| 533 | H | 93.2 | Very high | 92.7 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | trans | -53.4 | 143 | 173.8 | -165.1 | -95.6 | 0 | 0 | 0 | 111.7 | P280 D531 M535 Y536 F537 | P280-H533 PolarHBondContact O-CD2 3.48Å; P280-H533 PolarHBondContact O-NE2 3.42Å; P280-H533 VanDerWaalsContact O-NE2 3.11Å; D531-H533 PolarHBondContact O-N 3.08Å; H533-M535 PolarHBondContact ND1-N 2.87Å; H533-M535 PolarHBondContact O-N 3.18Å; H533-M535 VanDerWaalsContact O-N 3.1Å; H533-Y536 HydrophobicContact CB-CD2 3.78Å; H533-Y536 HydrophobicContact CB-CE2 4.33Å; H533-Y536 PolarHBondContact O-N 2.98Å; H533-F537 PolarHBondContact O-N 3.18Å | ||
| 534 | Y | 93.7 | Very high | 93.2 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -29.9 | -175.1 | 71.6 | -94.7 | 0 | 0 | 0 | 113.1 | I462 Q465 A469 F537 A538 | I462-Y534 HydrophobicContact CG2-CE1 3.95Å; Q465-Y534 HydrophobicContact CB-CE2 4.31Å; A469-Y534 HydrophobicContact CB-CD2 3.62Å; A469-Y534 HydrophobicContact CB-CE2 4.23Å; Y534-F537 WeakPolarHBondContact O-CB 3.36Å; Y534-F537 PolarHBondContact O-N 3.46Å; Y534-A538 PolarHBondContact O-N 2.83Å |
| 535 | M | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 175.5 | -63 | -178.4 | -175.5 | 0 | 0 | 112.2 | F80 M282 P283 G286 F287 G290 Q291 H533 A538 L539 | F80-M535 HydrophobicContact CZ-CE 4.01Å; M282-M535 HydrophobicContact CE-CE 4.3Å; M282-M535 HydrophobicContact SD-CE 3.82Å; P283-M535 HydrophobicContact CG-SD 4.23Å; G286-M535 WeakPolarHBondContact O-CB 3.5Å; F287-M535 HydrophobicContact CB-SD 3.96Å; F287-M535 HydrophobicContact CD2-CE 3.93Å; F287-M535 HydrophobicContact CD2-SD 4.2Å; G290-M535 VanDerWaalsContact CA-O 3.3Å; G290-M535 WeakPolarHBondContact CA-O 3.48Å; Q291-M535 HydrophobicContact CB-CG 4.29Å; Q291-M535 HydrophobicContact CB-SD 4.29Å; H533-M535 PolarHBondContact ND1-N 2.87Å; H533-M535 PolarHBondContact O-N 3.18Å; H533-M535 VanDerWaalsContact O-N 3.1Å; M535-A538 WeakPolarHBondContact O-CB 3.21Å; M535-A538 PolarHBondContact O-N 3.34Å; M535-L539 PolarHBondContact O-N 3.14Å |
| 536 | Y | 95.8 | Very high | 93.9 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.8 | -38.5 | 173.5 | -67.7 | -60.7 | 0 | 0 | 0 | 111.2 | I277 P283 L285 G286 H533 A538 L539 F540 | I277-Y536 WeakPolarHBondContact CG1-OH 3.4Å; I277-Y536 PolarHBondContact O-OH 2.83Å; P283-Y536 HydrophobicContact CB-CE2 4.07Å; P283-Y536 HydrophobicContact CG-CE2 4.1Å; L285-Y536 HydrophobicContact CB-CE1 4.3Å; L285-Y536 HydrophobicContact CD2-CE1 4.45Å; L285-Y536 HydrophobicContact CG-CE1 4.39Å; G286-Y536 VanDerWaalsContact CA-CE1 3.48Å; H533-Y536 HydrophobicContact CB-CD2 3.78Å; H533-Y536 HydrophobicContact CB-CE2 4.33Å; H533-Y536 PolarHBondContact O-N 2.98Å; Y536-A538 VanDerWaalsContact C-N 3.27Å; Y536-A538 PolarHBondContact O-N 3.46Å; Y536-L539 WeakPolarHBondContact O-CB 3.44Å; Y536-L539 PolarHBondContact O-N 3.11Å; Y536-F540 WeakPolarHBondContact O-CD2 3.46Å; Y536-F540 PolarHBondContact O-N 3.16Å |
| 537 | F | 95.6 | Very high | 94 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | 170.7 | 178.9 | -89.4 | 0 | 0 | 0 | 111.6 | Y470 R507 I532 H533 Y534 L539 F540 S541 | Y470-F537 AromaticContact CD1-CD1 3.82Å; Y470-F537 HydrophobicContact CD1-CD1 3.82Å; Y470-F537 HydrophobicContact CD1-CE1 4.08Å; R507-F537 HydrophobicContact CB-CD2 4.37Å; R507-F537 HydrophobicContact CB-CE1 4.04Å; R507-F537 HydrophobicContact CB-CE2 3.72Å; R507-F537 HydrophobicContact CB-CZ 3.52Å; R507-F537 HydrophobicContact CG-CD1 4.18Å; R507-F537 HydrophobicContact CG-CD2 4.01Å; R507-F537 HydrophobicContact CG-CE1 4.06Å; R507-F537 HydrophobicContact CG-CE2 3.88Å; R507-F537 HydrophobicContact CG-CG 4.16Å; R507-F537 HydrophobicContact CG-CZ 3.9Å; I532-F537 HydrophobicContact CG2-CB 4.47Å; H533-F537 PolarHBondContact O-N 3.18Å; Y534-F537 WeakPolarHBondContact O-CB 3.36Å; Y534-F537 PolarHBondContact O-N 3.46Å; F537-L539 PolarHBondContact O-N 3.48Å; F537-F540 PolarHBondContact O-N 3.25Å; F537-S541 VanDerWaalsContact O-CB 3.24Å; F537-S541 WeakPolarHBondContact O-CB 3.09Å; F537-S541 PolarHBondContact O-N 2.9Å |
| 538 | A | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A469 P473 Y534 M535 Y536 F542 | A469-A538 HydrophobicContact CB-CB 4.14Å; P473-A538 HydrophobicContact CB-CB 4.37Å; P473-A538 HydrophobicContact CG-CB 3.57Å; Y534-A538 PolarHBondContact O-N 2.83Å; M535-A538 WeakPolarHBondContact O-CB 3.21Å; M535-A538 PolarHBondContact O-N 3.34Å; Y536-A538 VanDerWaalsContact C-N 3.27Å; Y536-A538 PolarHBondContact O-N 3.46Å; A538-F542 VanDerWaalsContact O-CB 3.24Å; A538-F542 WeakPolarHBondContact O-CB 3.28Å; A538-F542 PolarHBondContact O-N 3.18Å |
| 539 | L | 95.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.9 | -52.6 | 173.2 | 169.4 | 59.7 | 0 | 0 | 0 | 111.4 | L289 M535 Y536 F537 S541 F542 I543 | L289-L539 HydrophobicContact CB-CD1 3.78Å; L289-L539 HydrophobicContact CB-CD2 3.91Å; L289-L539 HydrophobicContact CB-CG 4.35Å; L289-L539 HydrophobicContact CD1-CD2 4.31Å; L289-L539 WeakPolarHBondContact O-CD1 3.3Å; M535-L539 PolarHBondContact O-N 3.14Å; Y536-L539 WeakPolarHBondContact O-CB 3.44Å; Y536-L539 PolarHBondContact O-N 3.11Å; F537-L539 PolarHBondContact O-N 3.48Å; L539-S541 PolarHBondContact O-N 2.82Å; L539-F542 PolarHBondContact O-N 3.44Å; L539-I543 HydrophobicContact CD1-CD1 3.4Å; L539-I543 HydrophobicContact CD1-CG1 4.01Å; L539-I543 HydrophobicContact CG-CD1 4.18Å; L539-I543 WeakPolarHBondContact O-CG1 3.34Å; L539-I543 PolarHBondContact O-N 2.65Å |
| 540 | F | 95.7 | Very high | 94.9 | Very high | 120 Ų | 120 | 42.5 Ų | 42.5 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -49.2 | -179.5 | -67.9 | -60 | 0 | 0 | 0 | 111 | Y536 F537 F542 I543 T544 | Y536-F540 WeakPolarHBondContact O-CD2 3.46Å; Y536-F540 PolarHBondContact O-N 3.16Å; F537-F540 PolarHBondContact O-N 3.25Å; F540-F542 VanDerWaalsContact C-N 3.34Å; F540-F542 PolarHBondContact O-N 3.02Å; F540-I543 PolarHBondContact O-N 2.92Å; F540-T544 WeakPolarHBondContact O-CB 3.46Å; F540-T544 WeakPolarHBondContact O-CG2 3.44Å; F540-T544 PolarHBondContact O-N 3.47Å; F540-T544 PolarHBondContact O-OG1 2.98Å |
| 541 | S | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | -179.8 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | P474 F537 L539 T544 C545 | P474-S541 WeakPolarHBondContact CD-OG 3.36Å; P474-S541 WeakPolarHBondContact CG-OG 3.23Å; F537-S541 VanDerWaalsContact O-CB 3.24Å; F537-S541 WeakPolarHBondContact O-CB 3.09Å; F537-S541 PolarHBondContact O-N 2.9Å; L539-S541 PolarHBondContact O-N 2.82Å; S541-T544 PolarHBondContact O-OG1 3.49Å; S541-C545 WeakPolarHBondContact O-CB 3.48Å; S541-C545 PolarHBondContact O-N 3.31Å; S541-C545 VanDerWaalsContact O-N 3.08Å |
| 542 | F | 96.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 40.9 Ų | 40.9 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -49.5 | 175.9 | 177.2 | -101.8 | 0 | 0 | 0 | 112.7 | P293 P473 A476 S477 L480 A538 L539 F540 G546 | P293-F542 HydrophobicContact CB-CB 4.08Å; P293-F542 HydrophobicContact CB-CD1 4.22Å; P293-F542 HydrophobicContact CB-CD2 3.56Å; P293-F542 HydrophobicContact CB-CE2 3.98Å; P293-F542 HydrophobicContact CB-CG 3.69Å; P293-F542 HydrophobicContact CB-CZ 4.49Å; P293-F542 HydrophobicContact CG-CB 4.38Å; P293-F542 HydrophobicContact CG-CD1 3.94Å; P293-F542 HydrophobicContact CG-CD2 4.18Å; P293-F542 HydrophobicContact CG-CE1 4.25Å; P293-F542 HydrophobicContact CG-CE2 4.45Å; P293-F542 HydrophobicContact CG-CG 3.91Å; P473-F542 HydrophobicContact CB-CB 3.99Å; P473-F542 WeakPolarHBondContact O-CD2 3.45Å; A476-F542 HydrophobicContact CB-CE2 4.35Å; S477-F542 VanDerWaalsContact CA-CE2 3.4Å; S477-F542 PolarHBondContact OG-O 3.18Å; L480-F542 HydrophobicContact CD1-CE2 3.76Å; L480-F542 HydrophobicContact CD1-CZ 3.61Å; A538-F542 VanDerWaalsContact O-CB 3.24Å; A538-F542 WeakPolarHBondContact O-CB 3.28Å; A538-F542 PolarHBondContact O-N 3.18Å; L539-F542 PolarHBondContact O-N 3.44Å; F540-F542 VanDerWaalsContact C-N 3.34Å; F540-F542 PolarHBondContact O-N 3.02Å; F542-G546 PolarHBondContact O-N 2.95Å |
| 543 | I | 96.8 | Very high | 95.5 | Very high | 83 Ų | 83 | 39 Ų | 39 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.6 | -49.8 | -177.8 | -69.5 | 177.5 | 0 | 0 | 0 | 110.8 | L539 F540 C545 G546 L547 | L539-I543 HydrophobicContact CD1-CD1 3.4Å; L539-I543 HydrophobicContact CD1-CG1 4.01Å; L539-I543 HydrophobicContact CG-CD1 4.18Å; L539-I543 WeakPolarHBondContact O-CG1 3.34Å; L539-I543 PolarHBondContact O-N 2.65Å; F540-I543 PolarHBondContact O-N 2.92Å; I543-C545 VanDerWaalsContact C-N 3.34Å; I543-C545 PolarHBondContact O-N 3.09Å; I543-G546 PolarHBondContact O-N 2.64Å; I543-L547 HydrophobicContact CG2-CD1 3.88Å; I543-L547 HydrophobicContact CG2-CG 4.25Å; I543-L547 WeakPolarHBondContact O-CG 3.48Å; I543-L547 PolarHBondContact O-N 3.2Å |
| 544 | T | 96.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 27% | 0.27 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.7 | -38.2 | -177.4 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | Y499 F540 S541 L547 I548 | Y499-T544 WeakPolarHBondContact CE1-OG1 3.41Å; Y499-T544 WeakPolarHBondContact OH-CB 3.28Å; Y499-T544 PolarHBondContact OH-OG1 2.97Å; F540-T544 WeakPolarHBondContact O-CB 3.46Å; F540-T544 WeakPolarHBondContact O-CG2 3.44Å; F540-T544 PolarHBondContact O-N 3.47Å; F540-T544 PolarHBondContact O-OG1 2.98Å; S541-T544 PolarHBondContact O-OG1 3.49Å; T544-L547 PolarHBondContact O-N 2.85Å; T544-I548 VanDerWaalsContact O-CG1 3.25Å; T544-I548 WeakPolarHBondContact O-CG1 3.5Å; T544-I548 PolarHBondContact O-N 3.4Å |
| 545 | C | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 111 | P474 G496 Y499 S541 I543 L547 I548 V549 | P474-C545 HydrophobicContact CB-CB 4.17Å; G496-C545 VanDerWaalsContact C-SG 3.58Å; G496-C545 PolarHBondContact O-SG 3.49Å; Y499-C545 HydrophobicContact CD1-CB 4.46Å; S541-C545 WeakPolarHBondContact O-CB 3.48Å; S541-C545 PolarHBondContact O-N 3.31Å; S541-C545 VanDerWaalsContact O-N 3.08Å; I543-C545 VanDerWaalsContact C-N 3.34Å; I543-C545 PolarHBondContact O-N 3.09Å; C545-L547 VanDerWaalsContact C-N 3.34Å; C545-L547 PolarHBondContact O-N 3.38Å; C545-I548 PolarHBondContact O-N 2.97Å; C545-V549 VanDerWaalsContact O-CG2 3.27Å; C545-V549 WeakPolarHBondContact O-CG2 3.14Å; C545-V549 PolarHBondContact O-N 3.12Å |
| 546 | G | 96 | Very high | 94.8 | Very high | 11 Ų | 11 | 49 Ų | 49 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S477 F542 I543 V549 C550 | S477-G546 WeakPolarHBondContact OG-CA 3.19Å; S477-G546 PolarHBondContact OG-N 3.39Å; S477-G546 VanDerWaalsContact OG-N 3.14Å; F542-G546 PolarHBondContact O-N 2.95Å; I543-G546 PolarHBondContact O-N 2.64Å; G546-V549 PolarHBondContact O-N 3.3Å; G546-C550 WeakPolarHBondContact O-CB 3.41Å; G546-C550 PolarHBondContact O-N 3.44Å; G546-C550 PolarHBondContact O-SG 3.47Å |
| 547 | L | 95.9 | Very high | 94.3 | Very high | 98 Ų | 98 | 56.2 Ų | 56.2 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.2 | -72.2 | 175.2 | 0 | 0 | 0 | 111.7 | I543 T544 C545 V549 C550 L551 | I543-L547 HydrophobicContact CG2-CD1 3.88Å; I543-L547 HydrophobicContact CG2-CG 4.25Å; I543-L547 WeakPolarHBondContact O-CG 3.48Å; I543-L547 PolarHBondContact O-N 3.2Å; T544-L547 PolarHBondContact O-N 2.85Å; C545-L547 VanDerWaalsContact C-N 3.34Å; C545-L547 PolarHBondContact O-N 3.38Å; L547-V549 VanDerWaalsContact C-N 3.34Å; L547-V549 PolarHBondContact O-N 3.15Å; L547-C550 PolarHBondContact O-N 2.97Å; L547-L551 WeakPolarHBondContact O-CB 3.36Å; L547-L551 VanDerWaalsContact O-CG 3.23Å; L547-L551 WeakPolarHBondContact O-CG 3.42Å; L547-L551 PolarHBondContact O-N 3.49Å |
| 548 | I | 96.2 | Very high | 93.7 | Very high | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 176.7 | -70.4 | 165.4 | 0 | 0 | 0 | 110.4 | Y499 T544 C545 C550 L551 L552 | Y499-I548 HydrophobicContact CD1-CD1 3.6Å; Y499-I548 HydrophobicContact CD2-CD1 3.65Å; Y499-I548 HydrophobicContact CE1-CD1 3.97Å; Y499-I548 HydrophobicContact CE2-CD1 4Å; Y499-I548 HydrophobicContact CG-CD1 3.42Å; Y499-I548 VanDerWaalsContact CG-CD1 3.42Å; T544-I548 VanDerWaalsContact O-CG1 3.25Å; T544-I548 WeakPolarHBondContact O-CG1 3.5Å; T544-I548 PolarHBondContact O-N 3.4Å; C545-I548 PolarHBondContact O-N 2.97Å; I548-C550 VanDerWaalsContact C-N 3.33Å; I548-C550 PolarHBondContact O-N 3.03Å; I548-L551 PolarHBondContact O-N 3.13Å; I548-L552 HydrophobicContact CG2-CD1 3.69Å; I548-L552 HydrophobicContact CG2-CG 4.3Å; I548-L552 WeakPolarHBondContact O-CB 3.48Å; I548-L552 WeakPolarHBondContact O-CG 3.38Å; I548-L552 PolarHBondContact O-N 3.4Å |
| 549 | V | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | V478 C481 T488 G492 C545 G546 L547 S553 | V478-V549 HydrophobicContact CG2-CG2 3.91Å; C481-V549 HydrophobicContact CB-CG1 4.32Å; T488-V549 HydrophobicContact CG2-CG1 3.94Å; G492-V549 WeakPolarHBondContact O-CG2 2.94Å; C545-V549 VanDerWaalsContact O-CG2 3.27Å; C545-V549 WeakPolarHBondContact O-CG2 3.14Å; C545-V549 PolarHBondContact O-N 3.12Å; G546-V549 PolarHBondContact O-N 3.3Å; L547-V549 VanDerWaalsContact C-N 3.34Å; L547-V549 PolarHBondContact O-N 3.15Å; V549-S553 WeakPolarHBondContact O-CB 3.49Å; V549-S553 PolarHBondContact O-N 3.03Å; V549-S553 PolarHBondContact O-OG 3.44Å |
| 550 | C | 94.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -53 | -179.3 | -69.6 | 0 | 0 | 0 | 0 | 111.2 | G546 L547 I548 L552 S553 L554 | G546-C550 WeakPolarHBondContact O-CB 3.41Å; G546-C550 PolarHBondContact O-N 3.44Å; G546-C550 PolarHBondContact O-SG 3.47Å; L547-C550 PolarHBondContact O-N 2.97Å; I548-C550 VanDerWaalsContact C-N 3.33Å; I548-C550 PolarHBondContact O-N 3.03Å; C550-L552 PolarHBondContact O-N 3.19Å; C550-S553 PolarHBondContact O-N 3.17Å; C550-S553 VanDerWaalsContact O-N 3.1Å; C550-L554 WeakPolarHBondContact O-CG 3.38Å; C550-L554 PolarHBondContact O-N 3.09Å |
| 551 | L | 94.6 | Very high | 91.9 | Very high | 110 Ų | 110 | 64.9 Ų | 64.9 | 58% | 0.576 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.4 | -46.5 | -177.7 | -70 | 173 | 0 | 0 | 0 | 112.3 | L547 I548 S553 L554 | L547-L551 WeakPolarHBondContact O-CB 3.36Å; L547-L551 VanDerWaalsContact O-CG 3.23Å; L547-L551 WeakPolarHBondContact O-CG 3.42Å; L547-L551 PolarHBondContact O-N 3.49Å; I548-L551 PolarHBondContact O-N 3.13Å; L551-S553 VanDerWaalsContact C-N 3.32Å; L551-S553 PolarHBondContact O-N 3.36Å; L551-L554 PolarHBondContact O-N 3.21Å |
| 552 | L | 94.5 | Very high | 91.1 | Very high | 67 Ų | 67 | 71.6 Ų | 71.6 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.3 | -28.3 | 177.3 | -67 | 179.2 | 0 | 0 | 0 | 112.7 | Y495 I548 C550 L554 T555 | Y495-L552 HydrophobicContact CD2-CD1 4.24Å; Y495-L552 HydrophobicContact CG-CD1 4.26Å; I548-L552 HydrophobicContact CG2-CD1 3.69Å; I548-L552 HydrophobicContact CG2-CG 4.3Å; I548-L552 WeakPolarHBondContact O-CB 3.48Å; I548-L552 WeakPolarHBondContact O-CG 3.38Å; I548-L552 PolarHBondContact O-N 3.4Å; C550-L552 PolarHBondContact O-N 3.19Å; L552-L554 VanDerWaalsContact C-N 3.33Å; L552-T555 PolarHBondContact O-OG1 2.95Å |
| 553 | S | 93.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 74.9 Ų | 74.9 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -76 | -21.2 | 174.1 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | T488 T489 V549 C550 L551 T555 | T488-S553 WeakPolarHBondContact CA-OG 3.48Å; T489-S553 PolarHBondContact N-OG 3.43Å; T489-S553 VanDerWaalsContact N-OG 3.07Å; V549-S553 WeakPolarHBondContact O-CB 3.49Å; V549-S553 PolarHBondContact O-N 3.03Å; V549-S553 PolarHBondContact O-OG 3.44Å; C550-S553 PolarHBondContact O-N 3.17Å; C550-S553 VanDerWaalsContact O-N 3.1Å; L551-S553 VanDerWaalsContact C-N 3.32Å; L551-S553 PolarHBondContact O-N 3.36Å; S553-T555 VanDerWaalsContact C-N 3.28Å; S553-T555 PolarHBondContact O-N 2.83Å |
| 554 | L | 91.1 | Very high | 89.8 | Confident | 89 Ų | 89 | 71 Ų | 71 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.4 | -28.2 | 177.7 | -67.1 | -175.9 | 0 | 0 | 0 | 112.2 | R487 C550 L551 L552 | R487-L554 PolarHBondContact NH2-O 2.85Å; C550-L554 WeakPolarHBondContact O-CG 3.38Å; C550-L554 PolarHBondContact O-N 3.09Å; L551-L554 PolarHBondContact O-N 3.21Å; L552-L554 VanDerWaalsContact C-N 3.33Å |
| 555 | T | 89 | Confident | 89.3 | Confident | 118 Ų | 118 | 70.3 Ų | 70.3 | 72% | 0.724 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -85.6 | -11.6 | -176.3 | 61 | 0 | 0 | 0 | 0 | 113.7 | L552 S553 | L552-T555 PolarHBondContact O-OG1 2.95Å; S553-T555 VanDerWaalsContact C-N 3.28Å; S553-T555 PolarHBondContact O-N 2.83Å |
| 556 | E | 86.6 | Confident | 88.7 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -99.8 | 161.2 | -178.8 | -66.4 | -160.8 | 146.2 | 0 | 0 | 113 | T489 R491 R558 | T489-E556 WeakPolarHBondContact CB-OE2 3.24Å; T489-E556 HydrophobicContact CG2-CB 3.85Å; T489-E556 PolarHBondContact OG1-OE2 2.95Å; R491-E556 VanDerWaalsContact CB-OE1 3.31Å; R491-E556 WeakPolarHBondContact CB-OE1 3.32Å; R491-E556 WeakPolarHBondContact CD-OE1 3.4Å; R491-E556 WeakPolarHBondContact CG-OE1 3.14Å; R491-E556 IonicContact CZ-OE1 3.63Å; R491-E556 IonicContact NE-OE1 2.68Å; R491-E556 PolarHBondContact NE-OE1 3.28Å; R491-E556 IonicContact NH1-OE1 3.41Å; R491-E556 PolarHBondContact NH1-OE1 3.06Å; E556-R558 PolarHBondContact O-N 3.31Å |
| 557 | K | 85 | Confident | 88.5 | Confident | 188 Ų | 188 | 73 Ų | 73 | 82% | 0.817 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 134.4 | 176.7 | -171.2 | 179.1 | 178.6 | -177.2 | 0 | 109.8 | ||
| 558 | R | 84.4 | Confident | 88.3 | Confident | 157 Ų | 157 | 68.4 Ų | 68.4 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 136.4 | 175.7 | -173 | -180 | 174.9 | 174.9 | -1.6 | 110.8 | E556 | E556-R558 PolarHBondContact O-N 3.31Š|
| 559 | L | 83.1 | Confident | 88.2 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 144.1 | 171.3 | -77.8 | 78.2 | 0 | 0 | 0 | 110.6 | T489 L564 | T489-L559 HydrophobicContact CG2-CD1 4.05Å; L559-L564 HydrophobicContact CB-CD1 4.22Å; L559-L564 HydrophobicContact CB-CD2 4.41Å; L559-L564 HydrophobicContact CB-CG 4.13Å; L559-L564 HydrophobicContact CD2-CD2 4.19Å |
| 560 | T | 84 | Confident | 88 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 156.1 | 177.2 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | E562 Q563 L564 | T560-E562 PolarHBondContact O-N 3.37Å; T560-Q563 VanDerWaalsContact N-OE1 3.12Å; T560-Q563 PolarHBondContact O-N 3.49Å; T560-Q563 VanDerWaalsContact O-N 3.17Å; T560-Q563 VanDerWaalsContact OG1-CG 3.29Å; T560-Q563 WeakPolarHBondContact OG1-CG 3.43Å; T560-Q563 PolarHBondContact OG1-OE1 3.47Å; T560-L564 PolarHBondContact O-N 3.17Å |
| 561 | N | 82 | Confident | 87.8 | Confident | 110 Ų | 110 | 74.7 Ų | 74.7 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.6 | -32.3 | 178.8 | -71.3 | -32.2 | 0 | 0 | 0 | 112 | L564 C565 | N561-L564 PolarHBondContact O-N 3.06Å; N561-L564 VanDerWaalsContact O-N 3.12Å; N561-C565 PolarHBondContact O-N 3.39Å; N561-C565 VanDerWaalsContact O-N 3.13Å |
| 562 | E | 78.6 | Confident | 87.4 | Confident | 146 Ų | 146 | 69.6 Ų | 69.6 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 174 | -68.3 | 170.3 | -174.5 | 0 | 0 | 111.7 | T560 L564 C565 | T560-E562 PolarHBondContact O-N 3.37Å; E562-L564 PolarHBondContact O-N 2.87Å; E562-C565 WeakPolarHBondContact O-CB 3.46Å; E562-C565 PolarHBondContact O-N 2.84Å |
| 563 | Q | 80.6 | Confident | 87 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.5 | -19.7 | 176 | -71.2 | 174.6 | -34.8 | 0 | 0 | 113.4 | T560 L567 | T560-Q563 VanDerWaalsContact N-OE1 3.12Å; T560-Q563 PolarHBondContact O-N 3.49Å; T560-Q563 VanDerWaalsContact O-N 3.17Å; T560-Q563 VanDerWaalsContact OG1-CG 3.29Å; T560-Q563 WeakPolarHBondContact OG1-CG 3.43Å; T560-Q563 PolarHBondContact OG1-OE1 3.47Å; Q563-L567 VanDerWaalsContact O-CD1 3.22Å; Q563-L567 WeakPolarHBondContact O-CD1 3.3Å |
| 564 | L | 85.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -100.4 | -3.6 | -178.3 | -70.6 | 169.8 | 0 | 0 | 0 | 113.1 | K486 L559 T560 N561 E562 R566 L567 T568 T571 | K486-L564 HydrophobicContact CB-CD1 4.06Å; L559-L564 HydrophobicContact CB-CD1 4.22Å; L559-L564 HydrophobicContact CB-CD2 4.41Å; L559-L564 HydrophobicContact CB-CG 4.13Å; L559-L564 HydrophobicContact CD2-CD2 4.19Å; T560-L564 PolarHBondContact O-N 3.17Å; N561-L564 PolarHBondContact O-N 3.06Å; N561-L564 VanDerWaalsContact O-N 3.12Å; E562-L564 PolarHBondContact O-N 2.87Å; L564-R566 PolarHBondContact O-N 2.87Å; L564-L567 PolarHBondContact O-N 3.14Å; L564-L567 VanDerWaalsContact O-N 3.15Å; L564-T568 HydrophobicContact CD2-CG2 4.05Å; L564-T571 HydrophobicContact CB-CG2 4.47Å; L564-T571 VanDerWaalsContact O-CB 3.3Å; L564-T571 WeakPolarHBondContact O-CB 3.45Å; L564-T571 PolarHBondContact O-OG1 3.1Å |
| 565 | C | 86.3 | Confident | 85.8 | Confident | 30 Ų | 30 | 80 Ų | 80 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 126 | -177.8 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | N561 E562 L567 | N561-C565 PolarHBondContact O-N 3.39Å; N561-C565 VanDerWaalsContact O-N 3.13Å; E562-C565 WeakPolarHBondContact O-CB 3.46Å; E562-C565 PolarHBondContact O-N 2.84Å; C565-L567 WeakPolarHBondContact O-CG 3.2Å; C565-L567 PolarHBondContact O-N 2.9Å |
| 566 | R | 86 | Confident | 84.8 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 16.2 | 179.7 | -59.4 | 171.7 | 62.3 | 124.1 | 13 | 116.8 | A101 L564 T571 D574 N807 | A101-R566 HydrophobicContact CB-CB 4.09Å; A101-R566 PolarHBondContact O-NE 3.16Å; A101-R566 PolarHBondContact O-NH2 2.83Å; L564-R566 PolarHBondContact O-N 2.87Å; R566-T571 VanDerWaalsContact CA-O 3.25Å; R566-T571 WeakPolarHBondContact CA-O 3.37Å; R566-T571 PolarHBondContact N-O 2.66Å; R566-D574 WeakPolarHBondContact CG-O 3.27Å; R566-N807 VanDerWaalsContact NH2-CB 3.26Å; R566-N807 PolarHBondContact NH2-O 2.01Å |
| 567 | L | 90.5 | Very high | 83.3 | Confident | 17 Ų | 17 | 79.9 Ų | 79.9 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -9.8 | -173.9 | -69 | 165.6 | 0 | 0 | 0 | 115.2 | V98 Y110 K113 Q563 L564 C565 T571 | V98-L567 WeakPolarHBondContact CG1-O 3.36Å; Y110-L567 HydrophobicContact CD2-CD2 4.37Å; Y110-L567 HydrophobicContact CE2-CD2 4.27Å; Y110-L567 WeakPolarHBondContact CE2-O 3.28Å; Y110-L567 PolarHBondContact OH-O 2.97Å; K113-L567 HydrophobicContact CB-CD1 4.48Å; K113-L567 HydrophobicContact CB-CD2 3.64Å; K113-L567 WeakPolarHBondContact O-CD1 2.99Å; Q563-L567 VanDerWaalsContact O-CD1 3.22Å; Q563-L567 WeakPolarHBondContact O-CD1 3.3Å; L564-L567 PolarHBondContact O-N 3.14Å; L564-L567 VanDerWaalsContact O-N 3.15Å; C565-L567 WeakPolarHBondContact O-CG 3.2Å; C565-L567 PolarHBondContact O-N 2.9Å; L567-T571 PolarHBondContact N-OG1 3.34Å |
| 568 | T | 93.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -124.6 | 160.5 | 174.9 | 72.6 | 0 | 0 | 0 | 0 | 109.6 | I483 K486 L564 W570 T571 A572 | I483-T568 WeakPolarHBondContact O-CB 3.44Å; K486-T568 HydrophobicContact CG-CG2 4.48Å; L564-T568 HydrophobicContact CD2-CG2 4.05Å; T568-W570 PolarHBondContact O-N 2.8Å; T568-T571 PolarHBondContact N-OG1 2.91Å; T568-T571 CarbonylContact O-C 3.34Å; T568-T571 PolarHBondContact O-N 3.32Å; T568-T571 PolarHBondContact O-OG1 2.97Å; T568-T571 WeakPolarHBondContact OG1-CG2 3.44Å; T568-T571 PolarHBondContact OG1-N 2.9Å; T568-T571 PolarHBondContact OG1-OG1 3.18Å; T568-A572 WeakPolarHBondContact O-CB 3.42Å; T568-A572 PolarHBondContact O-N 2.78Å |
| 569 | Y | 92.4 | Very high | 79.3 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -53.3 | -43.4 | 176.2 | -176.8 | -101.7 | 0 | 0 | 0 | 111.2 | V94 I483 T571 W573 | V94-Y569 HydrophobicContact CG1-CD2 4.24Å; V94-Y569 WeakPolarHBondContact O-CD2 3.24Å; I483-Y569 PolarHBondContact O-N 3.39Å; Y569-T571 VanDerWaalsContact C-N 3.27Å; Y569-T571 PolarHBondContact O-N 3.45Å; Y569-W573 HydrophobicContact CD2-CH2 4.47Å; Y569-W573 HydrophobicContact CD2-CZ3 4.37Å; Y569-W573 AromaticContact CE2-CH2 3.98Å; Y569-W573 HydrophobicContact CE2-CH2 3.98Å; Y569-W573 HydrophobicContact CE2-CZ3 4.2Å; Y569-W573 WeakPolarHBondContact O-CZ3 3.49Å |
| 570 | W | 93 | Very high | 76.9 | Confident | 150 Ų | 150 | 78.3 Ų | 78.3 | 57% | 0.568 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -72.7 | -13.7 | -179.4 | -49.6 | 108.1 | 0 | 0 | 0 | 115.1 | L484 T568 | L484-W570 PolarHBondContact O-NE1 3.34Å; T568-W570 PolarHBondContact O-N 2.8Å |
| 571 | T | 89.7 | Confident | 74.5 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.012 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -118.6 | 1.1 | -178.9 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | L564 R566 L567 T568 Y569 W573 D574 | L564-T571 HydrophobicContact CB-CG2 4.47Å; L564-T571 VanDerWaalsContact O-CB 3.3Å; L564-T571 WeakPolarHBondContact O-CB 3.45Å; L564-T571 PolarHBondContact O-OG1 3.1Å; R566-T571 VanDerWaalsContact CA-O 3.25Å; R566-T571 WeakPolarHBondContact CA-O 3.37Å; R566-T571 PolarHBondContact N-O 2.66Å; L567-T571 PolarHBondContact N-OG1 3.34Å; T568-T571 PolarHBondContact N-OG1 2.91Å; T568-T571 CarbonylContact O-C 3.34Å; T568-T571 PolarHBondContact O-N 3.32Å; T568-T571 PolarHBondContact O-OG1 2.97Å; T568-T571 WeakPolarHBondContact OG1-CG2 3.44Å; T568-T571 PolarHBondContact OG1-N 2.9Å; T568-T571 PolarHBondContact OG1-OG1 3.18Å; Y569-T571 VanDerWaalsContact C-N 3.27Å; Y569-T571 PolarHBondContact O-N 3.45Å; T571-W573 PolarHBondContact O-N 2.98Å; T571-D574 VanDerWaalsContact CA-OD2 3.27Å; T571-D574 WeakPolarHBondContact CA-OD2 3.45Å; T571-D574 WeakPolarHBondContact CB-OD2 3.1Å; T571-D574 WeakPolarHBondContact CG2-OD2 3.4Å; T571-D574 WeakPolarHBondContact O-CB 3.36Å; T571-D574 PolarHBondContact O-N 3.39Å |
| 572 | A | 86 | Confident | 72.3 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 3% | 0.025 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V98 A101 T568 L809 | V98-A572 HydrophobicContact CG2-CB 4.27Å; A101-A572 HydrophobicContact CB-CB 4.12Å; A101-A572 WeakPolarHBondContact CB-O 2.92Å; T568-A572 WeakPolarHBondContact O-CB 3.42Å; T568-A572 PolarHBondContact O-N 2.78Å; A572-L809 HydrophobicContact CB-CD1 4.19Å; A572-L809 WeakPolarHBondContact O-CD1 3.47Å |
| 573 | W | 86.9 | Confident | 70.2 | Confident | 133 Ų | 133 | 74.7 Ų | 74.7 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.5 | 179 | -68.4 | -90.9 | 0 | 0 | 0 | 114 | P97 Y569 T571 L809 | P97-W573 HydrophobicContact CB-CH2 3.92Å; P97-W573 HydrophobicContact CB-CZ2 4.07Å; P97-W573 HydrophobicContact CG-CH2 4.45Å; Y569-W573 HydrophobicContact CD2-CH2 4.47Å; Y569-W573 HydrophobicContact CD2-CZ3 4.37Å; Y569-W573 AromaticContact CE2-CH2 3.98Å; Y569-W573 HydrophobicContact CE2-CH2 3.98Å; Y569-W573 HydrophobicContact CE2-CZ3 4.2Å; Y569-W573 WeakPolarHBondContact O-CZ3 3.49Å; T571-W573 PolarHBondContact O-N 2.98Å; W573-L809 HydrophobicContact CD2-CD1 4.04Å; W573-L809 HydrophobicContact CG-CD1 4.11Å; W573-L809 HydrophobicContact CZ2-CD1 4.23Å |
| 574 | D | 85 | Confident | 67.8 | Low | 72 Ų | 72 | 73.8 Ų | 73.8 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.9 | 178 | -64.4 | -17 | 0 | 0 | 0 | 109.9 | R566 T571 | R566-D574 WeakPolarHBondContact CG-O 3.27Å; T571-D574 VanDerWaalsContact CA-OD2 3.27Å; T571-D574 WeakPolarHBondContact CA-OD2 3.45Å; T571-D574 WeakPolarHBondContact CB-OD2 3.1Å; T571-D574 WeakPolarHBondContact CG2-OD2 3.4Å; T571-D574 WeakPolarHBondContact O-CB 3.36Å; T571-D574 PolarHBondContact O-N 3.39Å |
| 575 | Q | 74 | Confident | 65.3 | Low | 172 Ų | 172 | 82 Ų | 82 | 80% | 0.804 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 139.9 | 171.2 | -67.2 | -176 | -11.4 | 0 | 0 | 108.7 | A577 | Q575-A577 PolarHBondContact O-N 3.47Š|
| 576 | P | 67.3 | Low | 62.9 | Low | 84 Ų | 84 | 86.6 Ų | 86.6 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 135.4 | 168.7 | 24.2 | -30.6 | 0 | 0 | 0 | 108.1 | N578 | P576-N578 PolarHBondContact O-N 3.22Š|
| 577 | A | 55.9 | Low | 60.6 | Low | 83 Ų | 83 | 88.1 Ų | 88.1 | 69% | 0.686 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 121.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q575 D579 | Q575-A577 PolarHBondContact O-N 3.47Å; A577-D579 PolarHBondContact O-N 3.14Å |
| 578 | N | 45.1 | Very low | 58.1 | Low | 137 Ų | 137 | 90.8 Ų | 90.8 | 73% | 0.733 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 132.6 | 171 | -98 | -10.4 | 0 | 0 | 0 | 107.4 | P576 N580 | P576-N578 PolarHBondContact O-N 3.22Å; N578-N580 PolarHBondContact O-N 3.4Å |
| 579 | D | 39.6 | Very low | 55.5 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | trans | -58.4 | 80.6 | 158.7 | -79.2 | -33.4 | 0 | 0 | 0 | 107.5 | A577 N581 N582 | A577-D579 PolarHBondContact O-N 3.14Å; D579-N581 PolarHBondContact O-N 3.44Å; D579-N581 VanDerWaalsContact O-N 3.09Å; D579-N582 HydrophobicContact CB-CB 4.02Å; D579-N582 PolarHBondContact O-N 2.98Å; D579-N582 PolarHBondContact OD2-ND2 2.89Å | ||
| 580 | N | 32.9 | Very low | 53 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -12.8 | 165.6 | -77.4 | -13.9 | 0 | 0 | 0 | 110 | N578 S583 L584 | N578-N580 PolarHBondContact O-N 3.4Å; N580-S583 WeakPolarHBondContact CA-OG 3.3Å; N580-S583 PolarHBondContact O-OG 3.27Å; N580-L584 WeakPolarHBondContact O-CB 3.46Å; N580-L584 PolarHBondContact O-N 2.86Å |
| 581 | N | 33.9 | Very low | 50.4 | Low | 106 Ų | 106 | 93.4 Ų | 93.4 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.7 | -30.7 | 166.9 | -70.9 | -9.5 | 0 | 0 | 0 | 112.8 | D579 L584 Y585 | D579-N581 PolarHBondContact O-N 3.44Å; D579-N581 VanDerWaalsContact O-N 3.09Å; N581-L584 PolarHBondContact O-N 3.07Å; N581-Y585 VanDerWaalsContact O-CB 3.27Å; N581-Y585 WeakPolarHBondContact O-CB 3.21Å; N581-Y585 VanDerWaalsContact O-CD2 3.25Å; N581-Y585 WeakPolarHBondContact O-CD2 3.26Å; N581-Y585 PolarHBondContact O-N 3.4Å |
| 582 | N | 36.4 | Very low | 48.1 | Very low | 92 Ų | 92 | 98.1 Ų | 98.1 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.8 | -29.4 | 174.1 | -79.5 | -25.8 | 0 | 0 | 0 | 112.3 | D579 Q586 | D579-N582 HydrophobicContact CB-CB 4.02Å; D579-N582 PolarHBondContact O-N 2.98Å; D579-N582 PolarHBondContact OD2-ND2 2.89Å; N582-Q586 WeakPolarHBondContact O-CB 3.47Å; N582-Q586 VanDerWaalsContact O-CG 3.25Å; N582-Q586 WeakPolarHBondContact O-CG 3.31Å; N582-Q586 PolarHBondContact O-N 3.28Å |
| 583 | S | 33.1 | Very low | 46 | Very low | 50 Ų | 50 | 102.6 Ų | 102.6 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.5 | -36.1 | 167.4 | 47.1 | 0 | 0 | 0 | 0 | 112.4 | N580 I587 | N580-S583 WeakPolarHBondContact CA-OG 3.3Å; N580-S583 PolarHBondContact O-OG 3.27Å; S583-I587 WeakPolarHBondContact O-CB 3.21Å; S583-I587 WeakPolarHBondContact O-CD1 3.48Å; S583-I587 WeakPolarHBondContact O-CG1 3.38Å; S583-I587 PolarHBondContact O-N 3.26Å |
| 584 | L | 30.4 | Very low | 43.8 | Very low | 93 Ų | 93 | 101 Ų | 101 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.8 | -33.4 | 177 | -156.1 | 80.7 | 0 | 0 | 0 | 112.3 | N580 N581 N588 | N580-L584 WeakPolarHBondContact O-CB 3.46Å; N580-L584 PolarHBondContact O-N 2.86Å; N581-L584 PolarHBondContact O-N 3.07Å; L584-N588 WeakPolarHBondContact O-CB 3.35Å; L584-N588 PolarHBondContact O-N 3.45Å; L584-N588 PolarHBondContact O-ND2 3.28Å |
| 585 | Y | 34 | Very low | 41.8 | Very low | 172 Ų | 172 | 99.9 Ų | 99.9 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.3 | -33.8 | 171.9 | -91.6 | -85.7 | 0 | 0 | 0 | 112.2 | N581 S589 | N581-Y585 VanDerWaalsContact O-CB 3.27Å; N581-Y585 WeakPolarHBondContact O-CB 3.21Å; N581-Y585 VanDerWaalsContact O-CD2 3.25Å; N581-Y585 WeakPolarHBondContact O-CD2 3.26Å; N581-Y585 PolarHBondContact O-N 3.4Å; Y585-S589 WeakPolarHBondContact O-CB 3.48Å; Y585-S589 PolarHBondContact O-N 2.84Å; Y585-S589 PolarHBondContact O-OG 2.8Å; Y585-S589 VanDerWaalsContact O-OG 3.05Å |
| 586 | Q | 34.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 95.2 Ų | 95.2 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.5 | -36.8 | 170.9 | -79.4 | 177.1 | -25.2 | 0 | 0 | 112.3 | N582 S589 Q590 | N582-Q586 WeakPolarHBondContact O-CB 3.47Å; N582-Q586 VanDerWaalsContact O-CG 3.25Å; N582-Q586 WeakPolarHBondContact O-CG 3.31Å; N582-Q586 PolarHBondContact O-N 3.28Å; Q586-S589 PolarHBondContact O-OG 2.98Å; Q586-Q590 WeakPolarHBondContact O-CB 3.4Å; Q586-Q590 VanDerWaalsContact O-CG 3.27Å; Q586-Q590 WeakPolarHBondContact O-CG 3.31Å; Q586-Q590 PolarHBondContact O-N 2.85Å; Q586-Q590 PolarHBondContact O-OE1 3.43Å |
| 587 | I | 37.4 | Very low | 39 | Very low | 84 Ų | 84 | 96.4 Ų | 96.4 | 43% | 0.431 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.2 | -39.1 | 176 | -68.8 | 163.3 | 0 | 0 | 0 | 110.8 | S583 N591 | S583-I587 WeakPolarHBondContact O-CB 3.21Å; S583-I587 WeakPolarHBondContact O-CD1 3.48Å; S583-I587 WeakPolarHBondContact O-CG1 3.38Å; S583-I587 PolarHBondContact O-N 3.26Å; I587-N591 VanDerWaalsContact O-CB 3.27Å; I587-N591 WeakPolarHBondContact O-CB 3.22Å; I587-N591 PolarHBondContact O-N 3.31Å; I587-N591 PolarHBondContact O-ND2 3.47Å |
| 588 | N | 37.8 | Very low | 38.2 | Very low | 74 Ų | 74 | 97.8 Ų | 97.8 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.5 | -36.2 | 176.3 | -69.9 | -11.3 | 0 | 0 | 0 | 111.9 | L584 N591 D592 | L584-N588 WeakPolarHBondContact O-CB 3.35Å; L584-N588 PolarHBondContact O-N 3.45Å; L584-N588 PolarHBondContact O-ND2 3.28Å; N588-N591 PolarHBondContact O-N 2.87Å; N588-D592 VanDerWaalsContact O-CB 3.3Å; N588-D592 WeakPolarHBondContact O-CB 3.44Å; N588-D592 VanDerWaalsContact O-CG 3.23Å; N588-D592 PolarHBondContact O-N 3Å |
| 589 | S | 39.9 | Very low | 38 | Very low | 54 Ų | 54 | 96.5 Ų | 96.5 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 172.1 | 76 | 0 | 0 | 0 | 0 | 111.7 | Y585 Q586 I593 | Y585-S589 WeakPolarHBondContact O-CB 3.48Å; Y585-S589 PolarHBondContact O-N 2.84Å; Y585-S589 PolarHBondContact O-OG 2.8Å; Y585-S589 VanDerWaalsContact O-OG 3.05Å; Q586-S589 PolarHBondContact O-OG 2.98Å; S589-I593 VanDerWaalsContact O-CB 3.26Å; S589-I593 WeakPolarHBondContact O-CB 3.3Å; S589-I593 VanDerWaalsContact O-CD1 3.23Å; S589-I593 WeakPolarHBondContact O-CD1 3.28Å; S589-I593 WeakPolarHBondContact O-CG1 3.18Å; S589-I593 PolarHBondContact O-N 3.47Å |
| 590 | Q | 40.3 | Very low | 38 | Very low | 128 Ų | 128 | 96.6 Ų | 96.6 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.3 | -35.2 | 172.6 | -80.1 | 174.4 | -55.6 | 0 | 0 | 111.9 | Q586 H594 | Q586-Q590 WeakPolarHBondContact O-CB 3.4Å; Q586-Q590 VanDerWaalsContact O-CG 3.27Å; Q586-Q590 WeakPolarHBondContact O-CG 3.31Å; Q586-Q590 PolarHBondContact O-N 2.85Å; Q586-Q590 PolarHBondContact O-OE1 3.43Å; Q590-H594 WeakPolarHBondContact O-CB 3.41Å; Q590-H594 PolarHBondContact O-N 3.06Å |
| 591 | N | 38.8 | Very low | 38.3 | Very low | 93 Ų | 93 | 97.1 Ų | 97.1 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.9 | -36.1 | 174.2 | -73.8 | -22.4 | 0 | 0 | 0 | 112 | I587 N588 H594 S595 | I587-N591 VanDerWaalsContact O-CB 3.27Å; I587-N591 WeakPolarHBondContact O-CB 3.22Å; I587-N591 PolarHBondContact O-N 3.31Å; I587-N591 PolarHBondContact O-ND2 3.47Å; N588-N591 PolarHBondContact O-N 2.87Å; N591-H594 PolarHBondContact O-N 3.49Å; N591-S595 WeakPolarHBondContact O-CB 3.14Å; N591-S595 PolarHBondContact O-N 2.97Å; N591-S595 PolarHBondContact O-OG 2.92Å |
| 592 | D | 41.4 | Very low | 38.6 | Very low | 102 Ų | 102 | 98 Ų | 98 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.6 | -36.5 | 175.8 | -72.4 | -24.2 | 0 | 0 | 0 | 111.2 | N588 S595 T596 | N588-D592 VanDerWaalsContact O-CB 3.3Å; N588-D592 WeakPolarHBondContact O-CB 3.44Å; N588-D592 VanDerWaalsContact O-CG 3.23Å; N588-D592 PolarHBondContact O-N 3Å; D592-S595 WeakPolarHBondContact CA-OG 3.28Å; D592-S595 PolarHBondContact O-OG 3.5Å; D592-T596 WeakPolarHBondContact O-CB 3.48Å; D592-T596 PolarHBondContact O-N 2.98Å; D592-T596 PolarHBondContact O-OG1 2.92Å |
| 593 | I | 41.4 | Very low | 38.7 | Very low | 97 Ų | 97 | 98.1 Ų | 98.1 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 173 | -66.8 | 162.5 | 0 | 0 | 0 | 110.6 | S589 T596 E597 | S589-I593 VanDerWaalsContact O-CB 3.26Å; S589-I593 WeakPolarHBondContact O-CB 3.3Å; S589-I593 VanDerWaalsContact O-CD1 3.23Å; S589-I593 WeakPolarHBondContact O-CD1 3.28Å; S589-I593 WeakPolarHBondContact O-CG1 3.18Å; S589-I593 PolarHBondContact O-N 3.47Å; I593-T596 PolarHBondContact O-N 2.94Å; I593-E597 WeakPolarHBondContact O-CB 3.31Å; I593-E597 WeakPolarHBondContact O-CG 3.25Å; I593-E597 PolarHBondContact O-N 2.63Å |
| 594 | H | 40.7 | Very low | 38.8 | Very low | 99 Ų | 99 | 101.8 Ų | 101.8 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.3 | -25.1 | 179.8 | -152.4 | -35.6 | 0 | 0 | 0 | 113.6 | Q590 N591 M598 | Q590-H594 WeakPolarHBondContact O-CB 3.41Å; Q590-H594 PolarHBondContact O-N 3.06Å; N591-H594 PolarHBondContact O-N 3.49Å; H594-M598 PolarHBondContact O-N 3.14Å |
| 595 | S | 41.9 | Very low | 39.1 | Very low | 49 Ų | 49 | 103.8 Ų | 103.8 | 34% | 0.343 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -85.9 | -28.9 | 171.5 | 45.3 | 0 | 0 | 0 | 0 | 112.3 | N591 D592 I599 | N591-S595 WeakPolarHBondContact O-CB 3.14Å; N591-S595 PolarHBondContact O-N 2.97Å; N591-S595 PolarHBondContact O-OG 2.92Å; D592-S595 WeakPolarHBondContact CA-OG 3.28Å; D592-S595 PolarHBondContact O-OG 3.5Å; S595-I599 WeakPolarHBondContact O-CD1 3.39Å; S595-I599 WeakPolarHBondContact O-CG1 3.26Å; S595-I599 PolarHBondContact O-N 3.19Å |
| 596 | T | 40.5 | Very low | 39.1 | Very low | 74 Ų | 74 | 102.3 Ų | 102.3 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.5 | -35.5 | 172.3 | -50 | 0 | 0 | 0 | 0 | 111.9 | D592 I593 I599 I600 | D592-T596 WeakPolarHBondContact O-CB 3.48Å; D592-T596 PolarHBondContact O-N 2.98Å; D592-T596 PolarHBondContact O-OG1 2.92Å; I593-T596 PolarHBondContact O-N 2.94Å; T596-I599 PolarHBondContact O-N 3.37Å; T596-I600 HydrophobicContact CG2-CD1 3.8Å; T596-I600 HydrophobicContact CG2-CG1 4.41Å; T596-I600 WeakPolarHBondContact O-CB 3.48Å; T596-I600 VanDerWaalsContact O-CG1 3.25Å; T596-I600 WeakPolarHBondContact O-CG1 3.28Å; T596-I600 PolarHBondContact O-N 3.06Å |
| 597 | E | 43.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 107 Ų | 107 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.5 | -30 | 172.7 | -81 | -175 | 148.1 | 0 | 0 | 113.2 | I593 I599 K601 | I593-E597 WeakPolarHBondContact O-CB 3.31Å; I593-E597 WeakPolarHBondContact O-CG 3.25Å; I593-E597 PolarHBondContact O-N 2.63Å; E597-I599 VanDerWaalsContact C-N 3.33Å; E597-K601 WeakPolarHBondContact O-CB 3.24Å; E597-K601 PolarHBondContact O-N 3.27Å |
| 598 | M | 38.1 | Very low | 38.5 | Very low | 112 Ų | 112 | 111.3 Ų | 111.3 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.9 | -22.3 | 171.5 | -86.8 | -162.7 | -78.8 | 0 | 0 | 113.4 | H594 N602 | H594-M598 PolarHBondContact O-N 3.14Å; M598-N602 WeakPolarHBondContact O-CB 3.4Å; M598-N602 PolarHBondContact O-ND2 2.84Å |
| 599 | I | 40.7 | Very low | 38.3 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 57% | 0.569 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.8 | -36.3 | 172.5 | -67.9 | 167 | 0 | 0 | 0 | 110.1 | S595 T596 E597 V603 | S595-I599 WeakPolarHBondContact O-CD1 3.39Å; S595-I599 WeakPolarHBondContact O-CG1 3.26Å; S595-I599 PolarHBondContact O-N 3.19Å; T596-I599 PolarHBondContact O-N 3.37Å; E597-I599 VanDerWaalsContact C-N 3.33Å; I599-V603 WeakPolarHBondContact O-CB 3.21Å; I599-V603 WeakPolarHBondContact O-CG2 3.39Å; I599-V603 PolarHBondContact O-N 3.42Å |
| 600 | I | 40.6 | Very low | 37.9 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 48% | 0.477 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.7 | -39.8 | 178.7 | -66.8 | 169.5 | 0 | 0 | 0 | 111.8 | T596 N602 V603 D604 | T596-I600 HydrophobicContact CG2-CD1 3.8Å; T596-I600 HydrophobicContact CG2-CG1 4.41Å; T596-I600 WeakPolarHBondContact O-CB 3.48Å; T596-I600 VanDerWaalsContact O-CG1 3.25Å; T596-I600 WeakPolarHBondContact O-CG1 3.28Å; T596-I600 PolarHBondContact O-N 3.06Å; I600-N602 VanDerWaalsContact C-N 3.26Å; I600-N602 PolarHBondContact O-N 3.34Å; I600-V603 PolarHBondContact O-N 3.03Å; I600-D604 PolarHBondContact O-N 3.38Å |
| 601 | K | 39.2 | Very low | 37.5 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 54% | 0.535 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71 | -15.5 | 175.5 | -76.3 | -176.7 | 171.2 | -176.9 | 0 | 114.4 | E597 D677 | E597-K601 WeakPolarHBondContact O-CB 3.24Å; E597-K601 PolarHBondContact O-N 3.27Å; K601-D677 IonicContact NZ-OD2 3.95Å; K601-D677 PolarHBondContact NZ-OD2 2.66Å |
| 602 | N | 38.8 | Very low | 37.2 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 66% | 0.658 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -96.9 | -10.1 | 173.7 | -80.4 | -31.6 | 0 | 0 | 0 | 113.9 | M598 I600 | M598-N602 WeakPolarHBondContact O-CB 3.4Å; M598-N602 PolarHBondContact O-ND2 2.84Å; I600-N602 VanDerWaalsContact C-N 3.26Å; I600-N602 PolarHBondContact O-N 3.34Å |
| 603 | V | 39 | Very low | 36.8 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -96.2 | -24.4 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | I599 I600 N605 | I599-V603 WeakPolarHBondContact O-CB 3.21Å; I599-V603 WeakPolarHBondContact O-CG2 3.39Å; I599-V603 PolarHBondContact O-N 3.42Å; I600-V603 PolarHBondContact O-N 3.03Å; V603-N605 VanDerWaalsContact C-N 3.35Å; V603-N605 PolarHBondContact O-N 3.27Å |
| 604 | D | 36.6 | Very low | 36.6 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 68% | 0.684 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 4.7 | 179.2 | -78.6 | -24 | 0 | 0 | 0 | 115.5 | I600 | I600-D604 PolarHBondContact O-N 3.38Š|
| 605 | N | 35.7 | Very low | 36.2 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 15.5 | -178.3 | -87.1 | -39.6 | 0 | 0 | 0 | 115.2 | V603 | V603-N605 VanDerWaalsContact C-N 3.35Å; V603-N605 PolarHBondContact O-N 3.27Å |
| 606 | N | 34.2 | Very low | 35.9 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -140.2 | 28.8 | -177.7 | -92.8 | -23.6 | 0 | 0 | 0 | 115.2 | ||
| 607 | Y | 28.8 | Very low | 35.6 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 88% | 0.875 | 70% | 0.699 | S | S | * | * | trans | -121.8 | 65.4 | 174 | -105.8 | -93.5 | 0 | 0 | 0 | 112 | ||||
| 608 | H | 30 | Very low | 35.1 | Very low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.815 | 72% | 0.715 | S | S | * | * | trans | -132.7 | 138.7 | 148.3 | -94.4 | -71.6 | 0 | 0 | 0 | 106.6 | ||||
| 609 | D | 33.9 | Very low | 34.9 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | 96.2 | 105.4 | 165.2 | -63.9 | -18.4 | 0 | 0 | 0 | 119 | ||||
| 610 | I | 32.7 | Very low | 34.7 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 104.2 | 102.5 | 130.9 | -59 | 156.7 | 0 | 0 | 0 | 117.8 | ||||
| 611 | D | 31 | Very low | 34.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | 10.4 | 139.2 | 134.1 | -60.6 | -38.4 | 0 | 0 | 0 | 120.1 | ||||
| 612 | G | 33.3 | Very low | 34.1 | Very low | 69 Ų | 69 | 139.7 Ų | 139.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 134.6 | 93.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 613 | D | 33.3 | Very low | 33.9 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 55.4 | 133.8 | 133.4 | -66.1 | -17.7 | 0 | 0 | 0 | 123.8 | ||||
| 614 | D | 35.3 | Very low | 33.6 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 88.5 | 100.4 | 136 | -69.7 | -13.9 | 0 | 0 | 0 | 122.5 | ||||
| 615 | H | 33.9 | Very low | 33.7 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | 80 | 124 | 112.7 | -95.9 | -45.4 | 0 | 0 | 0 | 123.1 | |||||
| 616 | V | 35.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 70% | 0.703 | 80% | 0.803 | S | S | * | * | trans | 112.4 | 104.8 | 131.6 | 179.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 617 | D | 33.4 | Very low | 33.5 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | 13.7 | 146.8 | 134.1 | -57.2 | -35.5 | 0 | 0 | 0 | 123.8 | ||||
| 618 | G | 34 | Very low | 33.7 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | 172.8 | 106 | 153.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 619 | H | 33.1 | Very low | 33.9 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -56.4 | 158.3 | 175.1 | -74.8 | -32.6 | 0 | 0 | 0 | 118.2 | ||||
| 620 | H | 36.5 | Very low | 33.8 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | 166.5 | 142.3 | 98.7 | -99 | -62.1 | 0 | 0 | 0 | 115.6 | |||||
| 621 | D | 33 | Very low | 33.6 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -74 | 169.5 | 174.1 | -56.3 | -64.6 | 0 | 0 | 0 | 115.3 | ||||
| 622 | G | 35 | Very low | 33.7 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 172.9 | 128 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 623 | D | 33.9 | Very low | 33.4 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -79.5 | 166.6 | -163.9 | -65.4 | -62.5 | 0 | 0 | 0 | 119.7 | ||||
| 624 | A | 33.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 6 | 141.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 625 | D | 37.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | -173.2 | 158.8 | 113 | -135.3 | -14.7 | 0 | 0 | 0 | 114 | |||||
| 626 | D | 31.8 | Very low | 32.6 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -70.7 | 159.8 | -174.4 | -79.9 | -41.4 | 0 | 0 | 0 | 116.8 | ||||
| 627 | G | 35.1 | Very low | 32.2 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | 178.9 | 107.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 628 | D | 31.7 | Very low | 31.8 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | trans | -70.2 | 156.1 | -178.1 | -160.6 | 9.9 | 0 | 0 | 0 | 114.9 | ||||
| 629 | G | 34.4 | Very low | 31.4 | Very low | 64 Ų | 64 | 148.1 Ų | 148.1 | 66% | 0.66 | 83% | 0.829 | S | S | * | * | trans | 149 | 91.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 630 | D | 32.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | trans | 57.9 | 122 | 140.8 | -69.6 | -17.4 | 0 | 0 | 0 | 124.9 | ||||
| 631 | D | 29.2 | Very low | 30.6 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | 58.1 | 110.4 | 137.5 | -74.9 | -18 | 0 | 0 | 0 | 121.4 | ||||
| 632 | K | 33.1 | Very low | 30.2 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | -168.6 | 125.6 | 125.7 | -99.5 | 154.6 | -164.8 | 176.7 | 0 | 113.1 | V634 | K632-V634 PolarHBondContact O-N 2.75Š| |||
| 633 | D | 27.3 | Very low | 29.7 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -46.4 | 119.9 | 170.6 | -69.6 | -58.7 | 0 | 0 | 0 | 115 | ||||
| 634 | V | 29.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -150.6 | 112.6 | 151.6 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | K632 | K632-V634 PolarHBondContact O-N 2.75Š| ||
| 635 | N | 26.5 | Very low | 29 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 30.8 | 99.3 | 151.1 | -71 | -26.1 | 0 | 0 | 0 | 119.5 | ||||
| 636 | K | 27.5 | Very low | 28.5 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -108.9 | 89.3 | 150.9 | -88.6 | 179.7 | 178.2 | 170.7 | 0 | 110.3 | ||||
| 637 | T | 28.3 | Very low | 28.2 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -69.9 | 124 | 164.2 | 31.8 | 0 | 0 | 0 | 0 | 110.2 | H639 | T637-H639 PolarHBondContact O-N 2.98Š| ||
| 638 | N | 26 | Very low | 27.7 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -49.9 | 111.2 | 175.6 | -73.4 | -47.3 | 0 | 0 | 0 | 113.1 | S640 | N638-S640 PolarHBondContact O-N 3.4Å; N638-S640 VanDerWaalsContact O-N 3.14Å | ||
| 639 | H | 25.4 | Very low | 27.6 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -68.2 | 97.6 | 156.8 | -91.6 | -48.5 | 0 | 0 | 0 | 109.3 | T637 | T637-H639 PolarHBondContact O-N 2.98Š| ||
| 640 | S | 25.8 | Very low | 27.2 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -95.9 | 100.7 | 156 | 73.4 | 0 | 0 | 0 | 0 | 108.3 | N638 C642 | N638-S640 PolarHBondContact O-N 3.4Å; N638-S640 VanDerWaalsContact O-N 3.14Å; S640-C642 PolarHBondContact O-N 3.35Å | ||
| 641 | I | 26.4 | Very low | 27.1 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -47.7 | 118.5 | 176.1 | -66.5 | 160.6 | 0 | 0 | 0 | 110 | H643 | I641-H643 PolarHBondContact O-N 3.06Š| ||
| 642 | C | 24.4 | Very low | 27.2 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | -62.4 | 101 | 156.6 | -80.5 | 0 | 0 | 0 | 0 | 107.2 | S640 Q644 | S640-C642 PolarHBondContact O-N 3.35Å; C642-Q644 PolarHBondContact O-N 3.27Å | ||
| 643 | H | 25 | Very low | 27 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 90.2 | 158.2 | -97.6 | -75.3 | 0 | 0 | 0 | 107.7 | I641 Y645 | I641-H643 PolarHBondContact O-N 3.06Å; H643-Y645 VanDerWaalsContact C-N 3.28Å; H643-Y645 HydrophobicContact CB-CD2 4.36Å; H643-Y645 HydrophobicContact CB-CE2 4.48Å; H643-Y645 PolarHBondContact O-N 3.26Å | ||
| 644 | Q | 26.2 | Very low | 27 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | trans | -54.3 | 96.1 | 155.7 | -160.9 | 162 | -7 | 0 | 0 | 106.9 | C642 D646 | C642-Q644 PolarHBondContact O-N 3.27Å; Q644-D646 HydrophobicContact CG-CB 4.2Å; Q644-D646 PolarHBondContact O-N 3.11Å; Q644-D646 VanDerWaalsContact O-N 3.11Å | ||
| 645 | Y | 25.4 | Very low | 26.8 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | trans | -79.7 | 58.9 | 160.2 | -93.1 | -86.8 | 0 | 0 | 0 | 108.1 | H643 | H643-Y645 VanDerWaalsContact C-N 3.28Å; H643-Y645 HydrophobicContact CB-CD2 4.36Å; H643-Y645 HydrophobicContact CB-CE2 4.48Å; H643-Y645 PolarHBondContact O-N 3.26Å | ||
| 646 | D | 26.2 | Very low | 27 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | -96.7 | 81.5 | 148 | -92.8 | -36.1 | 0 | 0 | 0 | 106 | Q644 | Q644-D646 HydrophobicContact CG-CB 4.2Å; Q644-D646 PolarHBondContact O-N 3.11Å; Q644-D646 VanDerWaalsContact O-N 3.11Å | ||
| 647 | N | 25.4 | Very low | 27 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | -152.4 | 107.1 | 163 | -89.2 | -45.1 | 0 | 0 | 0 | 106.8 | ||||
| 648 | N | 25.9 | Very low | 27 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 101.6 | 60.7 | 174.4 | -50.9 | -33 | 0 | 0 | 0 | 117.7 | ||
| 649 | E | 28.1 | Very low | 27.1 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -144.7 | 34.6 | 139.4 | -122.7 | 177.6 | -167.9 | 0 | 0 | 113.5 | ||
| 650 | I | 27.8 | Very low | 27.4 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -98.5 | 3.2 | 161.3 | -65.7 | 177 | 0 | 0 | 0 | 111.2 | ||
| 651 | V | 29 | Very low | 27.6 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 58% | 0.582 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -94 | -5.6 | -176.7 | -176.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 652 | H | 32 | Very low | 27.6 | Very low | 106 Ų | 106 | 142 Ų | 142 | 49% | 0.491 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -104.7 | 11.1 | 179.8 | -95.1 | -52.2 | 0 | 0 | 0 | 116.9 | N427 | N427-H652 VanDerWaalsContact CG-CE1 3.46Å; N427-H652 PolarHBondContact ND2-CE1 3.07Å; N427-H652 PolarHBondContact ND2-ND1 3.06Å; N427-H652 PolarHBondContact OD1-CE1 2.98Å; N427-H652 PolarHBondContact OD1-NE2 3.08Å |
| 653 | K | 29.7 | Very low | 27.7 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -119.5 | 13.7 | 172.4 | -93.7 | -177.9 | -176.5 | 166.9 | 0 | 114.6 | D800 | K653-D800 IonicContact NZ-OD1 2.88Š|
| 654 | R | 25.9 | Very low | 28 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -125.4 | 41.2 | -178.3 | -123.4 | -171.8 | -73.6 | 165.9 | -6.7 | 112.4 | ||
| 655 | D | 26.8 | Very low | 28.1 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -146.8 | 57.6 | 174.5 | -80.5 | -37.1 | 0 | 0 | 0 | 110.1 | ||
| 656 | I | 29.1 | Very low | 28.2 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -167 | 80.2 | 155.5 | -76.6 | 127.5 | 0 | 0 | 0 | 104.9 | ||
| 657 | S | 29.4 | Very low | 28.4 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 179.2 | -13.1 | 150.6 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 658 | T | 27.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -109.3 | 50.7 | -173.1 | 33.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 659 | N | 28.5 | Very low | 28.9 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -141.4 | 17.9 | 170 | -102.2 | -18.1 | 0 | 0 | 0 | 115.3 | ||
| 660 | N | 31 | Very low | 28.8 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -138.8 | 43 | 178.1 | -89 | -16.8 | 0 | 0 | 0 | 112.9 | ||
| 661 | L | 29.1 | Very low | 28.7 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -157.7 | 52.9 | 172.3 | -101.5 | 128.6 | 0 | 0 | 0 | 111.8 | ||||
| 662 | N | 26.4 | Very low | 28.8 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -121.1 | 69.2 | 162.7 | -87.7 | -19.6 | 0 | 0 | 0 | 108.4 | ||||
| 663 | Q | 27.8 | Very low | 28.4 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -172.6 | 131.6 | 159.7 | -110.3 | 167.9 | 5 | 0 | 0 | 108.8 | ||||
| 664 | M | 29.6 | Very low | 28.2 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 104.8 | 104.4 | 164.7 | -57.1 | -175.7 | -176.6 | 0 | 0 | 118 | ||||
| 665 | N | 30 | Very low | 28.4 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | 72.9 | 105.1 | 140.3 | -66.5 | -14.5 | 0 | 0 | 0 | 118.6 | ||||
| 666 | M | 27.3 | Very low | 28.4 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | 65.8 | 117.9 | 74.7 | -79.8 | -159.8 | 179.6 | 0 | 0 | 115.1 | |||||
| 667 | N | 30.1 | Very low | 28.2 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | 89.9 | 109.9 | 140.9 | -69.5 | -2.3 | 0 | 0 | 0 | 120.6 | ||||
| 668 | N | 30.4 | Very low | 28.2 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | 113.5 | 125.2 | 115.8 | -75 | -6.2 | 0 | 0 | 0 | 119.9 | |||||
| 669 | N | 30.6 | Very low | 28.4 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 77.3 | 113 | 144 | -61.8 | -12.3 | 0 | 0 | 0 | 118.2 | ||||
| 670 | V | 26.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | 82.6 | 120.4 | 54.6 | 175.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 671 | N | 25.5 | Very low | 28.5 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 81 | 111.8 | 156.7 | -66.6 | -14.1 | 0 | 0 | 0 | 121.1 | ||||
| 672 | S | 30.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | 158.4 | 104.9 | 108.7 | 45.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 673 | L | 24.4 | Very low | 29.3 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | 67.6 | 117.2 | 84.3 | -92.4 | 153 | 0 | 0 | 0 | 115.3 | |||||
| 674 | Q | 25.2 | Very low | 29.4 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | trans | 71.9 | 114.4 | 143.7 | -81.2 | 164.5 | -19.5 | 0 | 0 | 118.7 | ||||
| 675 | I | 29.5 | Very low | 29.8 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | 172.5 | 113.4 | 113.4 | -85.8 | 156 | 0 | 0 | 0 | 110.9 | |||||
| 676 | F | 26.7 | Very low | 30.2 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | 80.9 | 132.3 | 137.6 | -82.9 | -103.9 | 0 | 0 | 0 | 124.8 | ||||
| 677 | D | 26.1 | Very low | 30.6 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | trans | -80.6 | 175 | -176.9 | -155.5 | -13.8 | 0 | 0 | 0 | 112.4 | K601 | K601-D677 IonicContact NZ-OD2 3.95Å; K601-D677 PolarHBondContact NZ-OD2 2.66Å | ||
| 678 | E | 29 | Very low | 31 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | 82.4 | 85.6 | 168.5 | -59.8 | -173.1 | 152.2 | 0 | 0 | 119.9 | ||||
| 679 | N | 31.2 | Very low | 31.4 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | trans | 166.9 | 112.2 | 132.5 | -97.6 | -52.7 | 0 | 0 | 0 | 109.7 | ||||
| 680 | N | 31.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | trans | 169.8 | 56.9 | 133.3 | -82.6 | -42.9 | 0 | 0 | 0 | 111.6 | ||||
| 681 | N | 32 | Very low | 32.4 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -92.2 | 30 | 157.3 | -136.7 | -5.7 | 0 | 0 | 0 | 111.3 | ||
| 682 | M | 37.4 | Very low | 33.1 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 56% | 0.557 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -128.7 | -2 | -167.8 | -138.1 | -176.6 | -64.7 | 0 | 0 | 114.7 | ||
| 683 | K | 33.9 | Very low | 33.5 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -3.6 | -170.9 | -82.5 | 178.4 | 178.3 | 167.9 | 0 | 116.7 | ||
| 684 | C | 29.8 | Very low | 34.3 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 85% | 0.845 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -9.2 | 176.1 | -83.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 685 | Q | 38.2 | Very low | 35 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -24.8 | 170.5 | -87.5 | 176.3 | -31.7 | 0 | 0 | 113.2 | L687 K688 | Q685-L687 PolarHBondContact O-N 2.79Å; Q685-K688 PolarHBondContact O-N 3.4Å |
| 686 | Q | 38 | Very low | 35.4 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 49% | 0.486 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.6 | -22.9 | -178 | -70.7 | -179 | -12.9 | 0 | 0 | 114.1 | V690 | Q686-V690 WeakPolarHBondContact O-CG2 3.41Å; Q686-V690 PolarHBondContact O-N 3.28Å |
| 687 | L | 36.4 | Very low | 36 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -79.4 | -17.8 | 178.2 | -78.2 | 162.3 | 0 | 0 | 0 | 114 | Q685 | Q685-L687 PolarHBondContact O-N 2.79Å |
| 688 | K | 37.8 | Very low | 36.6 | Very low | 169 Ų | 169 | 132 Ų | 132 | 74% | 0.735 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87 | -19.1 | 172.2 | -83.9 | 179.9 | 175.4 | 175 | 0 | 113.5 | Q685 | Q685-K688 PolarHBondContact O-N 3.4Å |
| 689 | E | 38.8 | Very low | 37 | Very low | 130 Ų | 130 | 132 Ų | 132 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -84.5 | -31.1 | 172.9 | -78.6 | -176.4 | 148.8 | 0 | 0 | 113 | E691 N692 N693 | E689-E691 VanDerWaalsContact C-N 3.33Å; E689-E691 PolarHBondContact O-N 3.14Å; E689-N692 PolarHBondContact O-N 3.13Å; E689-N693 WeakPolarHBondContact O-CB 3.39Å; E689-N693 PolarHBondContact O-N 2.82Å; E689-N693 PolarHBondContact O-ND2 3.43Å |
| 690 | V | 40.5 | Very low | 37.2 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68 | -31.9 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | Q686 N694 | Q686-V690 WeakPolarHBondContact O-CG2 3.41Å; Q686-V690 PolarHBondContact O-N 3.28Å; V690-N694 WeakPolarHBondContact O-CB 3.42Å; V690-N694 PolarHBondContact O-N 3.33Å; V690-N694 PolarHBondContact O-ND2 2.84Å |
| 691 | E | 38.9 | Very low | 37.3 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 71% | 0.71 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -76.4 | -26.5 | 177 | -127.4 | 179.2 | 175.2 | 0 | 0 | 113.3 | E689 | E689-E691 VanDerWaalsContact C-N 3.33Å; E689-E691 PolarHBondContact O-N 3.14Å |
| 692 | N | 40 | Very low | 37.3 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -85.8 | -31.5 | 174.8 | -90.3 | -17.4 | 0 | 0 | 0 | 113.1 | E689 K695 K696 | E689-N692 PolarHBondContact O-N 3.13Å; N692-K695 PolarHBondContact O-N 3.06Å; N692-K696 PolarHBondContact O-N 3Å |
| 693 | N | 38.8 | Very low | 36.8 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 51% | 0.508 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -74.1 | -31.2 | 175.2 | -76.3 | -24 | 0 | 0 | 0 | 112.7 | E689 K695 K696 N697 | E689-N693 WeakPolarHBondContact O-CB 3.39Å; E689-N693 PolarHBondContact O-N 2.82Å; E689-N693 PolarHBondContact O-ND2 3.43Å; N693-K695 PolarHBondContact O-N 3.1Å; N693-K696 PolarHBondContact O-N 3.21Å; N693-N697 PolarHBondContact O-N 3.37Å |
| 694 | N | 40.2 | Very low | 36.7 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.6 | -17.5 | 172.5 | -80.6 | -20.4 | 0 | 0 | 0 | 113.8 | V690 I698 | V690-N694 WeakPolarHBondContact O-CB 3.42Å; V690-N694 PolarHBondContact O-N 3.33Å; V690-N694 PolarHBondContact O-ND2 2.84Å; N694-I698 WeakPolarHBondContact O-CD1 3.32Å |
| 695 | K | 39.9 | Very low | 36.6 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -85.3 | -18.1 | 172.6 | -103.9 | 178.2 | 177.1 | 174.1 | 0 | 114.1 | N692 N693 | N692-K695 PolarHBondContact O-N 3.06Å; N693-K695 PolarHBondContact O-N 3.1Å |
| 696 | K | 38.8 | Very low | 36.1 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 68% | 0.683 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -92.3 | -27.3 | 176.7 | -98.8 | 179.6 | 172.6 | 179.9 | 0 | 114 | N692 N693 I698 | N692-K696 PolarHBondContact O-N 3Å; N693-K696 PolarHBondContact O-N 3.21Å; K696-I698 PolarHBondContact O-N 2.68Å |
| 697 | N | 38.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 144 Ų | 144 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 3.7 | -179.9 | -73.8 | -19.4 | 0 | 0 | 0 | 114.9 | N693 | N693-N697 PolarHBondContact O-N 3.37Š|
| 698 | I | 39.3 | Very low | 35.2 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -3.3 | 180 | -66.1 | 175.8 | 0 | 0 | 0 | 112 | N694 K696 | N694-I698 WeakPolarHBondContact O-CD1 3.32Å; K696-I698 PolarHBondContact O-N 2.68Å |
| 699 | E | 37.6 | Very low | 34.7 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -104.6 | -3.1 | -176.2 | -70.7 | -174 | 155.9 | 0 | 0 | 116.4 | ||
| 700 | D | 35 | Very low | 34.2 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -122.5 | 16.8 | -168.5 | -85 | -27.9 | 0 | 0 | 0 | 118.8 | ||
| 701 | H | 34.1 | Very low | 33.7 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | trans | -126.9 | 81 | 171.4 | -89.6 | -54.6 | 0 | 0 | 0 | 114.5 | ||||
| 702 | N | 30.8 | Very low | 33.1 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -81 | 154.6 | 153 | -88.3 | -43.4 | 0 | 0 | 0 | 110.8 | ||||
| 703 | Y | 28.8 | Very low | 32.9 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | 80.8 | 89.8 | 167.3 | -74.7 | -86.3 | 0 | 0 | 0 | 119.8 | ||||
| 704 | S | 31.3 | Very low | 33.3 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | -176.5 | 115 | 112.5 | -90.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 705 | T | 27.6 | Very low | 33.7 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -15 | 124.2 | 148.6 | 36.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 706 | N | 28.1 | Very low | 33.9 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | 157.3 | 97.8 | 112.9 | -87.1 | -27.8 | 0 | 0 | 0 | 112 | |||||
| 707 | Q | 29.7 | Very low | 34.5 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -180 | 102.2 | 135.4 | -101 | 168.2 | 0.2 | 0 | 0 | 109.4 | ||||
| 708 | K | 24.9 | Very low | 35.5 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -78.1 | 166.3 | 161.7 | -85.4 | 177.2 | 174.3 | 175.5 | 0 | 109.2 | ||||
| 709 | H | 27 | Very low | 36.5 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | 96.7 | 109.1 | -176.5 | -61.8 | -75.9 | 0 | 0 | 0 | 110.8 | ||||
| 710 | T | 28.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | cis | -160.6 | 110.8 | 27.1 | 39.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 711 | S | 29.4 | Very low | 38.8 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | 56.5 | 105.8 | 102.4 | 69.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 712 | Q | 27.1 | Very low | 40.1 | Very low | 197 Ų | 197 | 131.6 Ų | 131.6 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | trans | 54.1 | 70.6 | 146.1 | -84 | 164.4 | -34.3 | 0 | 0 | 118.4 | S714 | Q712-S714 PolarHBondContact O-N 3.11Š| ||
| 713 | S | 36.9 | Very low | 41.4 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | trans | -80.4 | 102.7 | 153.3 | -176 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 714 | S | 46.1 | Very low | 42.6 | Very low | 61 Ų | 61 | 120.3 Ų | 120.3 | 43% | 0.427 | 63% | 0.629 | S | S | . | * | trans | -30.1 | 130.8 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 116.2 | Q712 W716 Y717 | Q712-S714 PolarHBondContact O-N 3.11Å; S714-W716 PolarHBondContact O-N 2.9Å; S714-W716 VanDerWaalsContact OG-CB 3.3Å; S714-W716 WeakPolarHBondContact OG-CB 3.23Å; S714-W716 PolarHBondContact OG-N 3.35Å; S714-W716 VanDerWaalsContact OG-N 3.14Å; S714-Y717 WeakPolarHBondContact O-CB 3.42Å; S714-Y717 PolarHBondContact O-N 3.05Å | ||
| 715 | S | 48.6 | Very low | 43.8 | Very low | 90 Ų | 90 | 116.8 Ų | 116.8 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -47.8 | -27.4 | 168.6 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | Y717 K718 I719 | S715-Y717 VanDerWaalsContact C-N 3.34Å; S715-Y717 PolarHBondContact O-N 3.02Å; S715-K718 PolarHBondContact O-N 3.18Å; S715-I719 WeakPolarHBondContact O-CG1 3.38Å; S715-I719 PolarHBondContact O-N 2.86Å |
| 716 | W | 44.5 | Very low | 45 | Very low | 184 Ų | 184 | 114.2 Ų | 114.2 | 70% | 0.697 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -31.6 | 176.2 | -67.4 | 97 | 0 | 0 | 0 | 113.3 | S714 I719 L720 | S714-W716 PolarHBondContact O-N 2.9Å; S714-W716 VanDerWaalsContact OG-CB 3.3Å; S714-W716 WeakPolarHBondContact OG-CB 3.23Å; S714-W716 PolarHBondContact OG-N 3.35Å; S714-W716 VanDerWaalsContact OG-N 3.14Å; W716-I719 PolarHBondContact O-N 3.22Å; W716-L720 WeakPolarHBondContact O-CB 3.02Å; W716-L720 PolarHBondContact O-N 2.97Å |
| 717 | Y | 51 | Low | 46.1 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 48% | 0.478 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 177.8 | 178.5 | -99.7 | 0 | 0 | 0 | 111.8 | S714 S715 I719 L720 K721 T757 | S714-Y717 WeakPolarHBondContact O-CB 3.42Å; S714-Y717 PolarHBondContact O-N 3.05Å; S715-Y717 VanDerWaalsContact C-N 3.34Å; S715-Y717 PolarHBondContact O-N 3.02Å; Y717-I719 VanDerWaalsContact C-N 3.32Å; Y717-I719 PolarHBondContact O-N 2.65Å; Y717-L720 PolarHBondContact O-N 3.01Å; Y717-K721 WeakPolarHBondContact O-CB 3.2Å; Y717-K721 PolarHBondContact O-N 2.79Å; Y717-T757 HydrophobicContact CE2-CG2 4.07Å |
| 718 | K | 58.6 | Low | 47 | Very low | 150 Ų | 150 | 105.2 Ų | 105.2 | 65% | 0.652 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 175.2 | -73.3 | -174.8 | 178.3 | -178.4 | 0 | 111.4 | S715 N722 | S715-K718 PolarHBondContact O-N 3.18Å; K718-N722 WeakPolarHBondContact O-CB 3.2Å; K718-N722 PolarHBondContact O-N 2.87Å; K718-N722 PolarHBondContact O-ND2 2.64Å |
| 719 | I | 61.1 | Low | 48.4 | Very low | 74 Ų | 74 | 96.3 Ų | 96.3 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 176 | -65.4 | 167.4 | 0 | 0 | 0 | 110.2 | S715 W716 Y717 K721 N722 I723 | S715-I719 WeakPolarHBondContact O-CG1 3.38Å; S715-I719 PolarHBondContact O-N 2.86Å; W716-I719 PolarHBondContact O-N 3.22Å; Y717-I719 VanDerWaalsContact C-N 3.32Å; Y717-I719 PolarHBondContact O-N 2.65Å; I719-K721 PolarHBondContact O-N 3.19Å; I719-N722 PolarHBondContact O-N 3.12Å; I719-I723 HydrophobicContact CG2-CD1 3.69Å; I719-I723 HydrophobicContact CG2-CG1 4.38Å; I719-I723 VanDerWaalsContact O-CG1 3.28Å; I719-I723 WeakPolarHBondContact O-CG1 3.47Å; I719-I723 PolarHBondContact O-N 2.95Å |
| 720 | L | 60.4 | Low | 49.6 | Very low | 104 Ų | 104 | 88.3 Ų | 88.3 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 179.3 | -117.8 | 114.6 | 0 | 0 | 0 | 112.6 | W716 Y717 N722 I723 C724 | W716-L720 WeakPolarHBondContact O-CB 3.02Å; W716-L720 PolarHBondContact O-N 2.97Å; Y717-L720 PolarHBondContact O-N 3.01Å; L720-N722 VanDerWaalsContact C-N 3.33Å; L720-N722 PolarHBondContact O-N 3.43Å; L720-I723 PolarHBondContact O-N 3.43Å; L720-C724 PolarHBondContact O-N 3.37Å |
| 721 | K | 61.1 | Low | 50.9 | Low | 78 Ų | 78 | 83 Ų | 83 | 34% | 0.339 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 174.1 | 179.4 | -177 | 174.3 | -174.7 | 0 | 110.7 | Y717 I719 C724 L725 D739 | Y717-K721 WeakPolarHBondContact O-CB 3.2Å; Y717-K721 PolarHBondContact O-N 2.79Å; I719-K721 PolarHBondContact O-N 3.19Å; K721-C724 PolarHBondContact O-N 3.01Å; K721-L725 HydrophobicContact CG-CD1 3.95Å; K721-L725 WeakPolarHBondContact O-CB 3.46Å; K721-L725 VanDerWaalsContact O-CG 3.32Å; K721-L725 WeakPolarHBondContact O-CG 3.05Å; K721-L725 PolarHBondContact O-N 3.5Å; K721-D739 IonicContact NZ-OD1 3.06Å; K721-D739 PolarHBondContact NZ-OD1 3.37Å |
| 722 | N | 61.1 | Low | 52 | Low | 64 Ų | 64 | 80.4 Ų | 80.4 | 34% | 0.342 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 178.9 | -72.5 | -18.8 | 0 | 0 | 0 | 112.1 | K718 I719 L720 L725 W726 | K718-N722 WeakPolarHBondContact O-CB 3.2Å; K718-N722 PolarHBondContact O-N 2.87Å; K718-N722 PolarHBondContact O-ND2 2.64Å; I719-N722 PolarHBondContact O-N 3.12Å; L720-N722 VanDerWaalsContact C-N 3.33Å; L720-N722 PolarHBondContact O-N 3.43Å; N722-L725 PolarHBondContact O-N 2.85Å; N722-W726 VanDerWaalsContact O-CB 3.23Å; N722-W726 WeakPolarHBondContact O-CB 3.44Å; N722-W726 PolarHBondContact O-N 2.94Å |
| 723 | I | 58.7 | Low | 53.2 | Low | 80 Ų | 80 | 75.3 Ų | 75.3 | 41% | 0.41 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 173.9 | -70.9 | 168.7 | 0 | 0 | 0 | 110.3 | I719 L720 W726 F727 | I719-I723 HydrophobicContact CG2-CD1 3.69Å; I719-I723 HydrophobicContact CG2-CG1 4.38Å; I719-I723 VanDerWaalsContact O-CG1 3.28Å; I719-I723 WeakPolarHBondContact O-CG1 3.47Å; I719-I723 PolarHBondContact O-N 2.95Å; L720-I723 PolarHBondContact O-N 3.43Å; I723-W726 WeakPolarHBondContact O-CB 3.1Å; I723-W726 PolarHBondContact O-N 2.96Å; I723-F727 HydrophobicContact CG2-CD2 3.55Å; I723-F727 HydrophobicContact CG2-CE2 3.46Å; I723-F727 VanDerWaalsContact CG2-CE2 3.46Å; I723-F727 VanDerWaalsContact O-CD2 3.24Å; I723-F727 WeakPolarHBondContact O-CD2 3.06Å; I723-F727 PolarHBondContact O-N 3.48Å |
| 724 | C | 52.6 | Low | 53.5 | Low | 47 Ų | 47 | 75.5 Ų | 75.5 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -46 | 176.6 | -87.7 | 0 | 0 | 0 | 0 | 112.5 | L720 K721 W726 F727 C728 | L720-C724 PolarHBondContact O-N 3.37Å; K721-C724 PolarHBondContact O-N 3.01Å; C724-W726 PolarHBondContact O-N 3.44Å; C724-F727 PolarHBondContact O-N 2.97Å; C724-C728 WeakPolarHBondContact O-CB 3.48Å; C724-C728 PolarHBondContact O-N 3.35Å; C724-C728 PolarHBondContact O-SG 2.03Å |
| 725 | L | 56 | Low | 53.3 | Low | 39 Ų | 39 | 74.5 Ų | 74.5 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 175.6 | -76.4 | 169.1 | 0 | 0 | 0 | 111.7 | K721 N722 C728 G729 C730 A731 | K721-L725 HydrophobicContact CG-CD1 3.95Å; K721-L725 WeakPolarHBondContact O-CB 3.46Å; K721-L725 VanDerWaalsContact O-CG 3.32Å; K721-L725 WeakPolarHBondContact O-CG 3.05Å; K721-L725 PolarHBondContact O-N 3.5Å; N722-L725 PolarHBondContact O-N 2.85Å; L725-C728 CarbonylContact O-C 3.57Å; L725-C728 PolarHBondContact O-N 3.49Å; L725-G729 CarbonylContact O-C 3.52Å; L725-G729 PolarHBondContact O-N 3.39Å; L725-C730 HydrophobicContact CD2-CB 3.99Å; L725-C730 PolarHBondContact O-N 2.99Å; L725-A731 HydrophobicContact CB-CB 4.25Å; L725-A731 PolarHBondContact O-N 2.89Å |
| 726 | W | 53.5 | Low | 53.3 | Low | 65 Ų | 65 | 71.3 Ų | 71.3 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.8 | -43.5 | 176.6 | -172.1 | 82.8 | 0 | 0 | 0 | 112.4 | W46 N722 I723 C724 C728 G729 A731 | W46-W726 HydrophobicContact CD2-CH2 4.05Å; W46-W726 HydrophobicContact CD2-CZ2 4.37Å; W46-W726 HydrophobicContact CD2-CZ3 4.4Å; W46-W726 AromaticContact CE2-CH2 3.89Å; W46-W726 AromaticContact CE2-CZ3 3.78Å; W46-W726 HydrophobicContact CE3-CH2 4.27Å; W46-W726 HydrophobicContact CG-CZ2 4.46Å; W46-W726 HydrophobicContact CH2-CH2 4.26Å; W46-W726 HydrophobicContact CH2-CZ3 4Å; W46-W726 HydrophobicContact CZ2-CE3 4.12Å; W46-W726 HydrophobicContact CZ2-CH2 4.03Å; W46-W726 AromaticContact CZ2-CZ3 3.58Å; W46-W726 HydrophobicContact CZ2-CZ3 3.58Å; W46-W726 HydrophobicContact CZ3-CH2 4.36Å; W46-W726 PolarHBondContact NE1-O 3.3Å; N722-W726 VanDerWaalsContact O-CB 3.23Å; N722-W726 WeakPolarHBondContact O-CB 3.44Å; N722-W726 PolarHBondContact O-N 2.94Å; I723-W726 WeakPolarHBondContact O-CB 3.1Å; I723-W726 PolarHBondContact O-N 2.96Å; C724-W726 PolarHBondContact O-N 3.44Å; W726-C728 PolarHBondContact O-N 3.39Å; W726-G729 PolarHBondContact O-N 2.04Å; W726-A731 HydrophobicContact CB-CB 4.32Å |
| 727 | F | 51.2 | Low | 53.3 | Low | 131 Ų | 131 | 68.4 Ų | 68.4 | 58% | 0.575 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.9 | -37.2 | 171 | -86.6 | -70.6 | 0 | 0 | 0 | 111.9 | W46 I723 C724 G729 | W46-F727 HydrophobicContact CH2-CD1 4.25Å; W46-F727 HydrophobicContact CH2-CE1 4.11Å; W46-F727 AromaticContact CZ2-CD1 3.71Å; W46-F727 HydrophobicContact CZ2-CD1 3.71Å; W46-F727 HydrophobicContact CZ2-CE1 4.01Å; I723-F727 HydrophobicContact CG2-CD2 3.55Å; I723-F727 HydrophobicContact CG2-CE2 3.46Å; I723-F727 VanDerWaalsContact CG2-CE2 3.46Å; I723-F727 VanDerWaalsContact O-CD2 3.24Å; I723-F727 WeakPolarHBondContact O-CD2 3.06Å; I723-F727 PolarHBondContact O-N 3.48Å; C724-F727 PolarHBondContact O-N 2.97Å; F727-G729 VanDerWaalsContact C-N 3.3Å; F727-G729 PolarHBondContact O-N 3.3Å |
| 728 | C | 49.8 | Very low | 52.9 | Low | 25 Ų | 25 | 67 Ų | 67 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -9.5 | 176 | -65.4 | 0 | 0 | 0 | 0 | 114 | C724 L725 W726 C730 C748 | C724-C728 WeakPolarHBondContact O-CB 3.48Å; C724-C728 PolarHBondContact O-N 3.35Å; C724-C728 PolarHBondContact O-SG 2.03Å; L725-C728 CarbonylContact O-C 3.57Å; L725-C728 PolarHBondContact O-N 3.49Å; W726-C728 PolarHBondContact O-N 3.39Å; C728-C730 VanDerWaalsContact C-N 3.28Å; C728-C730 PolarHBondContact O-N 2.94Å; C728-C748 HydrophobicContact CB-CB 3.48Å; C728-C748 VanDerWaalsContact CB-CB 3.48Å; C728-C748 VanDerWaalsContact SG-CB 3.58Å |
| 729 | G | 53.3 | Low | 52 | Low | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 17.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K313 H317 L725 W726 F727 | K313-G729 WeakPolarHBondContact CE-O 3.17Å; K313-G729 PolarHBondContact NZ-O 3.46Å; H317-G729 WeakPolarHBondContact CE1-CA 3.36Å; H317-G729 PolarHBondContact NE2-O 3.17Å; L725-G729 CarbonylContact O-C 3.52Å; L725-G729 PolarHBondContact O-N 3.39Å; W726-G729 PolarHBondContact O-N 2.04Å; F727-G729 VanDerWaalsContact C-N 3.3Å; F727-G729 PolarHBondContact O-N 3.3Å |
| 730 | C | 53.2 | Low | 50.7 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 9% | 0.088 | 37% | 0.367 | C | S | . | . | trans | -95.2 | -0.2 | -179.8 | -71.3 | 0 | 0 | 0 | 0 | 114.1 | L725 C728 D732 H733 C746 | L725-C730 HydrophobicContact CD2-CB 3.99Å; L725-C730 PolarHBondContact O-N 2.99Å; C728-C730 VanDerWaalsContact C-N 3.28Å; C728-C730 PolarHBondContact O-N 2.94Å; C730-D732 VanDerWaalsContact C-N 3.3Å; C730-D732 PolarHBondContact O-N 3.42Å; C730-H733 WeakPolarHBondContact O-CB 3.34Å; C730-H733 PolarHBondContact O-N 3.27Å; C730-C746 HydrophobicContact CB-CB 3.94Å; C730-C746 WeakPolarHBondContact CB-SG 3.47Å; C730-C746 WeakPolarHBondContact SG-CB 3.37Å; C730-C746 CovalentContact SG-SG 2.02Å; C730-C746 PolarHBondContact SG-SG 2.85Å | ||
| 731 | A | 55.7 | Low | 49.5 | Very low | 10 Ų | 10 | 73.6 Ų | 73.6 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -33.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | L725 W726 H733 S736 I815 | L725-A731 HydrophobicContact CB-CB 4.25Å; L725-A731 PolarHBondContact O-N 2.89Å; W726-A731 HydrophobicContact CB-CB 4.32Å; A731-H733 VanDerWaalsContact C-N 3.31Å; A731-S736 PolarHBondContact O-OG 2.86Å; A731-I815 HydrophobicContact CB-CD1 3.32Å; A731-I815 HydrophobicContact CB-CG1 3.88Å |
| 732 | D | 51 | Low | 48.2 | Very low | 49 Ų | 49 | 75.9 Ų | 75.9 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.9 | 175 | -77.6 | -27.3 | 0 | 0 | 0 | 113.5 | S314 S316 C730 I815 | S314-D732 PolarHBondContact OG-OD2 3.22Å; S316-D732 WeakPolarHBondContact CB-OD2 3.33Å; S316-D732 PolarHBondContact OG-OD1 3.4Å; S316-D732 PolarHBondContact OG-OD2 2.9Å; S316-D732 VanDerWaalsContact OG-OD2 3.04Å; C730-D732 VanDerWaalsContact C-N 3.3Å; C730-D732 PolarHBondContact O-N 3.42Å; D732-I815 WeakPolarHBondContact OD1-CD1 3.24Å |
| 733 | H | 51.8 | Low | 47 | Very low | 89 Ų | 89 | 81.4 Ų | 81.4 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -68.8 | 135.4 | 179.7 | -155.6 | -86.2 | 0 | 0 | 0 | 109.6 | C730 A731 C735 S736 | C730-H733 WeakPolarHBondContact O-CB 3.34Å; C730-H733 PolarHBondContact O-N 3.27Å; A731-H733 VanDerWaalsContact C-N 3.31Å; H733-C735 PolarHBondContact ND1-SG 2.76Å; H733-C735 VanDerWaalsContact ND1-SG 3.42Å; H733-C735 PolarHBondContact O-N 3.25Å; H733-S736 VanDerWaalsContact O-CB 3.29Å; H733-S736 WeakPolarHBondContact O-CB 3.39Å; H733-S736 PolarHBondContact O-N 3.37Å; H733-S736 PolarHBondContact O-OG 3.19Å |
| 734 | P | 43.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 80.5 Ų | 80.5 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -55.6 | -27.1 | -178.6 | 16.8 | -29.6 | 0 | 0 | 0 | 113.5 | S736 | P734-S736 VanDerWaalsContact C-N 3.3Å; P734-S736 PolarHBondContact O-N 2.97Å |
| 735 | C | 42.6 | Very low | 45.1 | Very low | 39 Ų | 39 | 86.7 Ų | 86.7 | 26% | 0.264 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -75.2 | -9.5 | 176.8 | -51 | 0 | 0 | 0 | 0 | 114.7 | H733 N737 I738 C744 | H733-C735 PolarHBondContact ND1-SG 2.76Å; H733-C735 VanDerWaalsContact ND1-SG 3.42Å; H733-C735 PolarHBondContact O-N 3.25Å; C735-N737 PolarHBondContact O-N 3.26Å; C735-I738 PolarHBondContact O-N 3.41Å; C735-C744 HydrophobicContact CB-CB 4.18Å; C735-C744 WeakPolarHBondContact CB-SG 3.2Å |
| 736 | S | 48.1 | Very low | 44.4 | Very low | 24 Ų | 24 | 86.2 Ų | 86.2 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -65.7 | -21.5 | -174.2 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | A731 H733 P734 | A731-S736 PolarHBondContact O-OG 2.86Å; H733-S736 VanDerWaalsContact O-CB 3.29Å; H733-S736 WeakPolarHBondContact O-CB 3.39Å; H733-S736 PolarHBondContact O-N 3.37Å; H733-S736 PolarHBondContact O-OG 3.19Å; P734-S736 VanDerWaalsContact C-N 3.3Å; P734-S736 PolarHBondContact O-N 2.97Å |
| 737 | N | 45.6 | Very low | 43.9 | Very low | 122 Ų | 122 | 90.2 Ų | 90.2 | 65% | 0.652 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -96.4 | -1.2 | 178.4 | -79.5 | -16.6 | 0 | 0 | 0 | 114.4 | C735 D739 | C735-N737 PolarHBondContact O-N 3.26Å; N737-D739 PolarHBondContact O-N 3Å |
| 738 | I | 41.3 | Very low | 43.4 | Very low | 93 Ų | 93 | 86.5 Ų | 86.5 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | trans | -93.8 | 102.8 | -176.9 | -57.8 | 178.5 | 0 | 0 | 0 | 108.3 | C735 I740 | C735-I738 PolarHBondContact O-N 3.41Å; I738-I740 HydrophobicContact CG2-CB 3.7Å; I738-I740 HydrophobicContact CG2-CD1 3.44Å; I738-I740 VanDerWaalsContact CG2-CD1 3.44Å; I738-I740 HydrophobicContact CG2-CG1 3.42Å; I738-I740 VanDerWaalsContact CG2-CG1 3.42Å; I738-I740 PolarHBondContact O-N 2.74Å | ||
| 739 | D | 40.2 | Very low | 43.2 | Very low | 141 Ų | 141 | 90.4 Ų | 90.4 | 75% | 0.754 | 48% | 0.479 | S | S | * | . | trans | -74.1 | 29 | 174.3 | -101.5 | -11.9 | 0 | 0 | 0 | 112.8 | K721 N737 K741 | K721-D739 IonicContact NZ-OD1 3.06Å; K721-D739 PolarHBondContact NZ-OD1 3.37Å; N737-D739 PolarHBondContact O-N 3Å; D739-K741 PolarHBondContact O-N 3.09Å | ||
| 740 | I | 33.9 | Very low | 42.7 | Very low | 129 Ų | 129 | 95.3 Ų | 95.3 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | trans | -84 | 119.2 | 174.4 | -59.5 | 173.2 | 0 | 0 | 0 | 107.3 | I738 N742 | I738-I740 HydrophobicContact CG2-CB 3.7Å; I738-I740 HydrophobicContact CG2-CD1 3.44Å; I738-I740 VanDerWaalsContact CG2-CD1 3.44Å; I738-I740 HydrophobicContact CG2-CG1 3.42Å; I738-I740 VanDerWaalsContact CG2-CG1 3.42Å; I738-I740 PolarHBondContact O-N 2.74Å; I740-N742 PolarHBondContact O-N 3.07Å | ||
| 741 | K | 34.5 | Very low | 42.2 | Very low | 197 Ų | 197 | 105 Ų | 105 | 86% | 0.857 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -50.5 | -4.6 | -172.7 | -99.1 | 176.3 | 173.6 | 177.4 | 0 | 117.5 | D739 | D739-K741 PolarHBondContact O-N 3.09Š|
| 742 | N | 33.4 | Very low | 41.6 | Very low | 125 Ų | 125 | 108.6 Ų | 108.6 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -151.2 | 139.4 | 179.8 | -71.5 | -46.7 | 0 | 0 | 0 | 109.8 | I740 | I740-N742 PolarHBondContact O-N 3.07Š|
| 743 | H | 36.9 | Very low | 41.2 | Very low | 180 Ų | 180 | 108.3 Ų | 108.3 | 83% | 0.833 | 56% | 0.555 | S | S | * | * | trans | 96.9 | 53.6 | 173.9 | -58 | -60.6 | 0 | 0 | 0 | 120.1 | ||||
| 744 | C | 34 | Very low | 40.8 | Very low | 62 Ų | 62 | 108 Ų | 108 | 42% | 0.419 | 56% | 0.556 | S | S | . | * | trans | -124.8 | 93.9 | 150.8 | -161.5 | 0 | 0 | 0 | 0 | 109.8 | C735 C746 | C735-C744 HydrophobicContact CB-CB 4.18Å; C735-C744 WeakPolarHBondContact CB-SG 3.2Å; C744-C746 PolarHBondContact O-N 3.24Å | ||
| 745 | Q | 38.1 | Very low | 40.9 | Very low | 176 Ų | 176 | 109 Ų | 109 | 82% | 0.822 | 55% | 0.552 | S | S | * | * | trans | -75.4 | 74.1 | 172.7 | -84.4 | -174.6 | -22 | 0 | 0 | 110.2 | ||||
| 746 | C | 39.5 | Very low | 40.7 | Very low | 29 Ų | 29 | 115.6 Ų | 115.6 | 20% | 0.196 | 58% | 0.576 | C | S | . | * | trans | -88.4 | 103.7 | 154.8 | -92.3 | 0 | 0 | 0 | 0 | 107.8 | C730 C744 C748 | C730-C746 HydrophobicContact CB-CB 3.94Å; C730-C746 WeakPolarHBondContact CB-SG 3.47Å; C730-C746 WeakPolarHBondContact SG-CB 3.37Å; C730-C746 CovalentContact SG-SG 2.02Å; C730-C746 PolarHBondContact SG-SG 2.85Å; C744-C746 PolarHBondContact O-N 3.24Å; C746-C748 PolarHBondContact O-N 2.84Å | ||
| 747 | N | 43.3 | Very low | 40.5 | Very low | 150 Ų | 150 | 117.7 Ų | 117.7 | 80% | 0.802 | 59% | 0.588 | S | S | * | * | trans | -66.6 | 27 | -179.9 | -96.7 | -12.3 | 0 | 0 | 0 | 114.4 | ||||
| 748 | C | 41.7 | Very low | 40.2 | Very low | 53 Ų | 53 | 116.4 Ų | 116.4 | 36% | 0.358 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -100.9 | 111.9 | -176.5 | -134.9 | 0 | 0 | 0 | 0 | 109.5 | C728 C746 Q750 | C728-C748 HydrophobicContact CB-CB 3.48Å; C728-C748 VanDerWaalsContact CB-CB 3.48Å; C728-C748 VanDerWaalsContact SG-CB 3.58Å; C746-C748 PolarHBondContact O-N 2.84Å; C748-Q750 PolarHBondContact O-N 3.29Å |
| 749 | L | 44.3 | Very low | 40 | Very low | 107 Ų | 107 | 120 Ų | 120 | 56% | 0.56 | 60% | 0.599 | S | S | * | * | trans | 42.8 | 40.9 | 169.9 | -84.4 | 171.7 | 0 | 0 | 0 | 115.1 | R751 L752 C753 | L749-R751 PolarHBondContact O-N 2.86Å; L749-L752 HydrophobicContact CB-CB 4.26Å; L749-L752 HydrophobicContact CD1-CD1 4.24Å; L749-L752 HydrophobicContact CD2-CB 4.09Å; L749-L752 HydrophobicContact CD2-CD1 3.42Å; L749-L752 VanDerWaalsContact CD2-CD1 3.42Å; L749-L752 HydrophobicContact CD2-CG 4.27Å; L749-L752 HydrophobicContact CG-CD1 4.38Å; L749-L752 PolarHBondContact O-N 3.42Å; L749-C753 PolarHBondContact O-N 3.16Å | ||
| 750 | Q | 42.8 | Very low | 39.7 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.8 | -27.8 | -178.9 | -163.4 | 163.4 | -3.2 | 0 | 0 | 111.7 | C748 N754 | C748-Q750 PolarHBondContact O-N 3.29Å; Q750-N754 WeakPolarHBondContact O-CB 3.5Å; Q750-N754 VanDerWaalsContact O-CG 3.31Å; Q750-N754 PolarHBondContact O-N 3.46Å |
| 751 | R | 43.4 | Very low | 39.8 | Very low | 215 Ų | 215 | 125.1 Ų | 125.1 | 81% | 0.811 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.4 | -41.9 | 171.5 | -85.9 | -175.8 | 172.7 | 178.4 | -1.8 | 114.1 | L749 Q755 | L749-R751 PolarHBondContact O-N 2.86Å; R751-Q755 WeakPolarHBondContact O-CB 2.96Å; R751-Q755 VanDerWaalsContact O-CG 3.28Å; R751-Q755 WeakPolarHBondContact O-CG 3.46Å; R751-Q755 PolarHBondContact O-N 2.8Å |
| 752 | L | 42.6 | Very low | 39.6 | Very low | 87 Ų | 87 | 120 Ų | 120 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.6 | -38.5 | -179 | -99.5 | 151.7 | 0 | 0 | 0 | 111.8 | L749 F756 | L749-L752 HydrophobicContact CB-CB 4.26Å; L749-L752 HydrophobicContact CD1-CD1 4.24Å; L749-L752 HydrophobicContact CD2-CB 4.09Å; L749-L752 HydrophobicContact CD2-CD1 3.42Å; L749-L752 VanDerWaalsContact CD2-CD1 3.42Å; L749-L752 HydrophobicContact CD2-CG 4.27Å; L749-L752 HydrophobicContact CG-CD1 4.38Å; L749-L752 PolarHBondContact O-N 3.42Å; L752-F756 HydrophobicContact CD2-CE2 4.36Å; L752-F756 PolarHBondContact O-N 2.98Å |
| 753 | C | 42.8 | Very low | 39.5 | Very low | 42 Ų | 42 | 120.7 Ų | 120.7 | 28% | 0.284 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.8 | -38.6 | 173 | -82.5 | 0 | 0 | 0 | 0 | 112.4 | L749 T757 | L749-C753 PolarHBondContact O-N 3.16Å; C753-T757 PolarHBondContact O-N 3.1Å; C753-T757 PolarHBondContact O-OG1 3.37Å |
| 754 | N | 45 | Very low | 39.2 | Very low | 83 Ų | 83 | 121.9 Ų | 121.9 | 44% | 0.444 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.5 | -33.4 | 175.4 | -77.4 | -5.3 | 0 | 0 | 0 | 112.9 | Q750 T757 T758 | Q750-N754 WeakPolarHBondContact O-CB 3.5Å; Q750-N754 VanDerWaalsContact O-CG 3.31Å; Q750-N754 PolarHBondContact O-N 3.46Å; N754-T757 VanDerWaalsContact CA-OG1 3.3Å; N754-T757 WeakPolarHBondContact CA-OG1 3.26Å; N754-T757 PolarHBondContact O-N 3.27Å; N754-T757 PolarHBondContact O-OG1 3.26Å; N754-T757 VanDerWaalsContact O-OG1 3.13Å; N754-T758 WeakPolarHBondContact O-CB 3.37Å; N754-T758 VanDerWaalsContact O-CG2 3.25Å; N754-T758 WeakPolarHBondContact O-CG2 3.37Å; N754-T758 PolarHBondContact O-N 3.02Å; N754-T758 PolarHBondContact O-OG1 3.41Å |
| 755 | Q | 45.2 | Very low | 39.1 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.2 | -33.5 | 177.9 | -84.6 | -179 | -30.6 | 0 | 0 | 112.9 | R751 T757 | R751-Q755 WeakPolarHBondContact O-CB 2.96Å; R751-Q755 VanDerWaalsContact O-CG 3.28Å; R751-Q755 WeakPolarHBondContact O-CG 3.46Å; R751-Q755 PolarHBondContact O-N 2.8Å; Q755-T757 VanDerWaalsContact C-N 3.29Å; Q755-T757 PolarHBondContact O-N 3.42Å |
| 756 | F | 37.6 | Very low | 38.7 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.7 | -20 | 173.5 | -94 | -81.4 | 0 | 0 | 0 | 113.7 | L752 | L752-F756 HydrophobicContact CD2-CE2 4.36Å; L752-F756 PolarHBondContact O-N 2.98Å |
| 757 | T | 45.3 | Very low | 38.2 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 41% | 0.411 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -98.5 | -19.5 | -179.9 | 44 | 0 | 0 | 0 | 0 | 114.2 | Y717 C753 N754 Q755 | Y717-T757 HydrophobicContact CE2-CG2 4.07Å; C753-T757 PolarHBondContact O-N 3.1Å; C753-T757 PolarHBondContact O-OG1 3.37Å; N754-T757 VanDerWaalsContact CA-OG1 3.3Å; N754-T757 WeakPolarHBondContact CA-OG1 3.26Å; N754-T757 PolarHBondContact O-N 3.27Å; N754-T757 PolarHBondContact O-OG1 3.26Å; N754-T757 VanDerWaalsContact O-OG1 3.13Å; Q755-T757 VanDerWaalsContact C-N 3.29Å; Q755-T757 PolarHBondContact O-N 3.42Å |
| 758 | T | 39.3 | Very low | 37.4 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -85.4 | -5.9 | -174.8 | 42.3 | 0 | 0 | 0 | 0 | 115.1 | N754 F760 | N754-T758 WeakPolarHBondContact O-CB 3.37Å; N754-T758 VanDerWaalsContact O-CG2 3.25Å; N754-T758 WeakPolarHBondContact O-CG2 3.37Å; N754-T758 PolarHBondContact O-N 3.02Å; N754-T758 PolarHBondContact O-OG1 3.41Å; T758-F760 VanDerWaalsContact C-N 3.25Å; T758-F760 PolarHBondContact O-N 3.41Å |
| 759 | H | 35.9 | Very low | 36.7 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 78% | 0.782 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -80.7 | 6.7 | -177 | -132 | -62.7 | 0 | 0 | 0 | 115.6 | ||
| 760 | F | 35 | Very low | 35.8 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 84% | 0.842 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -135.6 | 10.9 | -173.4 | -102.4 | -82.9 | 0 | 0 | 0 | 117.3 | T758 | T758-F760 VanDerWaalsContact C-N 3.25Å; T758-F760 PolarHBondContact O-N 3.41Å |
| 761 | H | 34.4 | Very low | 35 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.856 | 70% | 0.704 | S | S | * | * | trans | -141.9 | 104.3 | 169.2 | -107.6 | -82.1 | 0 | 0 | 0 | 112.2 | ||||
| 762 | S | 32 | Very low | 34.1 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | -86.5 | 143.9 | 168.5 | 162.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 763 | N | 29.6 | Very low | 33.4 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | 70.1 | 97.5 | 160.8 | -60.4 | -15.4 | 0 | 0 | 0 | 118.4 | ||||
| 764 | H | 32.1 | Very low | 32.7 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 94% | 0.944 | 73% | 0.731 | S | S | * | * | -160.7 | 132.5 | 121.8 | -103.1 | -70.1 | 0 | 0 | 0 | 111 | |||||
| 765 | H | 31.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | -88.6 | 160 | -170.2 | -119.6 | -100.3 | 0 | 0 | 0 | 112.7 | ||||
| 766 | H | 29 | Very low | 31.4 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | trans | 75 | 108.8 | 157.8 | -70.3 | -65.2 | 0 | 0 | 0 | 120.7 | ||||
| 767 | S | 28.9 | Very low | 31.1 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | -178.8 | 134.3 | 101.3 | 55 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 768 | H | 26.7 | Very low | 30.5 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 89% | 0.889 | 73% | 0.73 | S | S | * | * | trans | -67 | 128.6 | 177 | -75.8 | -96.4 | 0 | 0 | 0 | 111.3 | ||||
| 769 | E | 27.6 | Very low | 30.2 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | trans | -140.2 | 137.5 | 161.2 | -126.2 | 174.7 | -176 | 0 | 0 | 110.2 | ||||
| 770 | K | 26.2 | Very low | 30.1 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | trans | -67.4 | 134 | -164.9 | -69.3 | 171.7 | 177.3 | 174.5 | 0 | 111.9 | ||||
| 771 | I | 25.3 | Very low | 30 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | -81.9 | 113 | 172.5 | -59.9 | 170.7 | 0 | 0 | 0 | 108.2 | I773 | I771-I773 HydrophobicContact CG2-CG1 4.06Š| ||
| 772 | Y | 25.4 | Very low | 29.8 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -86.4 | 111.7 | 163.2 | -72.9 | -87.4 | 0 | 0 | 0 | 108.6 | I774 | Y772-I774 PolarHBondContact O-N 3.22Š| ||
| 773 | I | 28.1 | Very low | 29.7 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | trans | -83.5 | 106.7 | 168.5 | -57.5 | 175.8 | 0 | 0 | 0 | 105.5 | I771 T775 | I771-I773 HydrophobicContact CG2-CG1 4.06Å; I773-T775 HydrophobicContact CG2-CG2 3.68Å; I773-T775 PolarHBondContact O-N 3.16Å; I773-T775 VanDerWaalsContact O-N 3.15Å | ||
| 774 | I | 26.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -80.7 | 94.2 | 168.6 | -57.4 | 175 | 0 | 0 | 0 | 105.8 | Y772 I779 | Y772-I774 PolarHBondContact O-N 3.22Å; I774-I779 HydrophobicContact CG2-CG1 4.32Å | ||
| 775 | T | 28.5 | Very low | 29.5 | Very low | 63 Ų | 63 | 146.7 Ų | 146.7 | 39% | 0.387 | 73% | 0.731 | S | S | . | * | trans | -76.4 | 156.7 | 164 | 68.9 | 0 | 0 | 0 | 0 | 108.4 | I773 N777 D778 | I773-T775 HydrophobicContact CG2-CG2 3.68Å; I773-T775 PolarHBondContact O-N 3.16Å; I773-T775 VanDerWaalsContact O-N 3.15Å; T775-N777 PolarHBondContact O-N 3.3Å; T775-D778 PolarHBondContact N-OD2 3.47Å; T775-D778 PolarHBondContact O-N 3.43Å; T775-D778 PolarHBondContact OG1-OD2 3.33Å | ||
| 776 | S | 33.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -4.3 | 175.1 | 48.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 777 | N | 32.5 | Very low | 29.4 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -13 | 174.5 | -70.6 | 0 | 0 | 0 | 0 | 113.6 | T775 | T775-N777 PolarHBondContact O-N 3.3Š|
| 778 | D | 33 | Very low | 29.5 | Very low | 72 Ų | 72 | 146.4 Ų | 146.4 | 39% | 0.385 | 73% | 0.729 | S | S | . | * | G | 310 helix | trans | -88.1 | -3.9 | -176.8 | -60.9 | -55.1 | 0 | 0 | 0 | 113.5 | T775 Q780 | T775-D778 PolarHBondContact N-OD2 3.47Å; T775-D778 PolarHBondContact O-N 3.43Å; T775-D778 PolarHBondContact OG1-OD2 3.33Å; D778-Q780 VanDerWaalsContact C-N 3.28Å; D778-Q780 PolarHBondContact O-N 2.96Å |
| 779 | I | 33.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -76.1 | -16.5 | 177.4 | -63.9 | 176.6 | 0 | 0 | 0 | 111.6 | I774 L781 | I774-I779 HydrophobicContact CG2-CG1 4.32Å; I779-L781 VanDerWaalsContact C-N 3.29Å; I779-L781 PolarHBondContact O-N 3.34Å |
| 780 | Q | 33.2 | Very low | 29.9 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -80.9 | 2.5 | 178.2 | -78.8 | -171 | -43 | 0 | 0 | 115.2 | D778 | D778-Q780 VanDerWaalsContact C-N 3.28Å; D778-Q780 PolarHBondContact O-N 2.96Å |
| 781 | L | 32.1 | Very low | 30.1 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -115.2 | 8 | -177.3 | -89 | 154.3 | 0 | 0 | 0 | 114.4 | I779 | I779-L781 VanDerWaalsContact C-N 3.29Å; I779-L781 PolarHBondContact O-N 3.34Å |
| 782 | I | 30.1 | Very low | 30.2 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -114.8 | 33.8 | 170.4 | -46.1 | 175.1 | 0 | 0 | 0 | 109.5 | ||||
| 783 | E | 30.2 | Very low | 30.3 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -105.1 | 60.3 | 162 | -76.9 | -174.5 | 158.4 | 0 | 0 | 108.2 | K785 | E783-K785 PolarHBondContact O-N 2.85Š| ||
| 784 | D | 29.8 | Very low | 30.3 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -86.6 | 104.5 | 166.1 | -140.8 | -5 | 0 | 0 | 0 | 109.2 | S786 | D784-S786 PolarHBondContact O-N 3.34Å; D784-S786 VanDerWaalsContact O-N 3.14Å | ||
| 785 | K | 28.9 | Very low | 30.3 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -34.9 | 104 | 172.1 | -68.8 | 166.4 | 174.8 | 175.1 | 0 | 113.2 | E783 | E783-K785 PolarHBondContact O-N 2.85Š| ||
| 786 | S | 28.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | -165.4 | 145.5 | 134.8 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | D784 | D784-S786 PolarHBondContact O-N 3.34Å; D784-S786 VanDerWaalsContact O-N 3.14Å | ||
| 787 | I | 28.6 | Very low | 30.1 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 88.3 | 118 | 169.8 | -38 | 167.4 | 0 | 0 | 0 | 113.9 | ||
| 788 | F | 31.4 | Very low | 30 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 90.5 | 73.2 | 171.5 | -66.8 | -75.8 | 0 | 0 | 0 | 118.7 | ||||
| 789 | N | 29.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -95.5 | 115.2 | 132.5 | -87.5 | -17.1 | 0 | 0 | 0 | 106.8 | ||||
| 790 | D | 32.4 | Very low | 29.7 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 168 | 143.3 | 137.6 | -85 | -21 | 0 | 0 | 0 | 108.6 | ||||
| 791 | D | 31.1 | Very low | 29.5 | Very low | 155 Ų | 155 | 151 Ų | 151 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | 80.8 | 87 | 179.3 | -56.3 | -27.4 | 0 | 0 | 0 | 119 | H793 | D791-H793 PolarHBondContact O-N 2.8Š| ||
| 792 | Q | 26.3 | Very low | 29.3 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -56.5 | 91.7 | 159 | -71.4 | -170.9 | -28.3 | 0 | 0 | 112 | ||
| 793 | H | 28.2 | Very low | 29.4 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 88% | 0.875 | 75% | 0.75 | S | S | * | * | trans | 170 | 50.9 | 138.2 | -108 | -73 | 0 | 0 | 0 | 111.6 | D791 | D791-H793 PolarHBondContact O-N 2.8Š| ||
| 794 | Q | 27 | Very low | 29.4 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -135.3 | 122 | 172.5 | -74.9 | -164.8 | -1.6 | 0 | 0 | 113.4 | N796 | Q794-N796 PolarHBondContact O-N 3.44Š|
| 795 | L | 27.2 | Very low | 30 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | 28.1 | 91.2 | 152.1 | -77.9 | 88.7 | 0 | 0 | 0 | 115.9 | T797 | L795-T797 VanDerWaalsContact C-N 3.28Å; L795-T797 PolarHBondContact O-N 3.14Å | ||
| 796 | N | 27.1 | Very low | 31.2 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | trans | -61.4 | 96.4 | 155.6 | -76.9 | -20.2 | 0 | 0 | 0 | 109.5 | Q794 | Q794-N796 PolarHBondContact O-N 3.44Š| ||
| 797 | T | 31.4 | Very low | 32.5 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 59% | 0.589 | 69% | 0.685 | S | S | * | * | 55.5 | 102.9 | 126.2 | 59.6 | 0 | 0 | 0 | 0 | 116.2 | L795 D799 | L795-T797 VanDerWaalsContact C-N 3.28Å; L795-T797 PolarHBondContact O-N 3.14Å; T797-D799 PolarHBondContact O-N 3.41Å | |||
| 798 | V | 30.5 | Very low | 34.2 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 74% | 0.739 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | 35.2 | -38.7 | 145.7 | -173 | 0 | 0 | 0 | 0 | 119.8 | D800 Y801 | V798-D800 PolarHBondContact O-N 3.29Å; V798-Y801 PolarHBondContact O-N 2.98Å |
| 799 | D | 29.7 | Very low | 36.6 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -66.6 | -28.5 | 174.2 | -75.6 | -27.5 | 0 | 0 | 0 | 114.2 | T797 Y801 Y802 | T797-D799 PolarHBondContact O-N 3.41Å; D799-Y801 VanDerWaalsContact C-N 3.31Å; D799-Y802 PolarHBondContact O-N 2.91Å |
| 800 | D | 31.1 | Very low | 38.9 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -78.7 | -14.1 | 176.9 | -91.1 | -7.2 | 0 | 0 | 0 | 113.3 | K653 V798 Y802 K803 | K653-D800 IonicContact NZ-OD1 2.88Å; V798-D800 PolarHBondContact O-N 3.29Å; D800-Y802 VanDerWaalsContact C-N 3.31Å; D800-Y802 PolarHBondContact O-N 2.86Å; D800-K803 PolarHBondContact O-N 3.3Å; D800-K803 WeakPolarHBondContact OD1-CD 3.39Å; D800-K803 IonicContact OD1-NZ 3.35Å; D800-K803 PolarHBondContact OD1-NZ 3.04Å |
| 801 | Y | 27.6 | Very low | 41.4 | Very low | 186 Ų | 186 | 122.6 Ų | 122.6 | 73% | 0.729 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -70.9 | -27.2 | 171.5 | -156.8 | -96.8 | 0 | 0 | 0 | 112.2 | V798 D799 K803 | V798-Y801 PolarHBondContact O-N 2.98Å; D799-Y801 VanDerWaalsContact C-N 3.31Å; Y801-K803 VanDerWaalsContact C-N 3.3Å; Y801-K803 PolarHBondContact O-N 3.1Å |
| 802 | Y | 28 | Very low | 43.9 | Very low | 205 Ų | 205 | 117 Ų | 117 | 80% | 0.804 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -82.8 | -1.5 | 175.1 | -83.8 | -82.1 | 0 | 0 | 0 | 114.3 | D799 D800 | D799-Y802 PolarHBondContact O-N 2.91Å; D800-Y802 VanDerWaalsContact C-N 3.31Å; D800-Y802 PolarHBondContact O-N 2.86Å |
| 803 | K | 31.8 | Very low | 46.7 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 47% | 0.474 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -104.3 | 11.6 | -178.7 | -84.4 | 149.1 | 161.6 | 177.6 | 0 | 113.9 | D800 Y801 | D800-K803 PolarHBondContact O-N 3.3Å; D800-K803 WeakPolarHBondContact OD1-CD 3.39Å; D800-K803 IonicContact OD1-NZ 3.35Å; D800-K803 PolarHBondContact OD1-NZ 3.04Å; Y801-K803 VanDerWaalsContact C-N 3.3Å; Y801-K803 PolarHBondContact O-N 3.1Å |
| 804 | Q | 31.8 | Very low | 49.5 | Very low | 140 Ų | 140 | 107.6 Ų | 107.6 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | trans | -66 | 130.5 | 174.9 | -71.6 | -161.3 | -13.2 | 0 | 0 | 110.4 | ||||
| 805 | P | 42.8 | Very low | 52.4 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | trans | -54.3 | 146 | 173.1 | 23.5 | -32.5 | 0 | 0 | 0 | 109.3 | N807 | P805-N807 PolarHBondContact O-N 2.66Š| ||
| 806 | I | 52.1 | Low | 55.3 | Low | 49 Ų | 49 | 96.5 Ų | 96.5 | 25% | 0.251 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -66.3 | 74.2 | 172.7 | -62.3 | 151.6 | 0 | 0 | 0 | 108 | R42 I100 K313 | R42-I806 HydrophobicContact CB-CD1 3.58Å; R42-I806 WeakPolarHBondContact O-CD1 3.14Å; I100-I806 VanDerWaalsContact CG2-O 3.27Å; I100-I806 WeakPolarHBondContact CG2-O 3.35Å; K313-I806 WeakPolarHBondContact O-CD1 3.31Å |
| 807 | N | 55.7 | Low | 58.4 | Low | 53 Ų | 53 | 95 Ų | 95 | 28% | 0.283 | 48% | 0.481 | S | S | . | . | trans | -105.6 | -2.5 | 178.5 | -82.6 | 8.6 | 0 | 0 | 0 | 110 | R566 P805 | R566-N807 VanDerWaalsContact NH2-CB 3.26Å; R566-N807 PolarHBondContact NH2-O 2.01Å; P805-N807 PolarHBondContact O-N 2.66Å | ||
| 808 | S | 65.7 | Low | 61.2 | Low | 68 Ų | 68 | 92.5 Ų | 92.5 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | trans | -84.1 | 115.4 | 174.7 | -177 | 0 | 0 | 0 | 0 | 109.7 | K810 | S808-K810 PolarHBondContact O-N 3.23Å; S808-K810 WeakPolarHBondContact OG-CB 3.41Å; S808-K810 PolarHBondContact OG-N 3.14Å | ||
| 809 | L | 80.4 | Confident | 64.2 | Low | 17 Ų | 17 | 87 Ų | 87 | 9% | 0.089 | 44% | 0.44 | C | S | . | . | trans | -83.6 | 8.9 | 169.4 | -60.2 | 175.9 | 0 | 0 | 0 | 112.3 | P97 I100 A101 L315 A572 W573 | P97-L809 HydrophobicContact CB-CD2 4.41Å; I100-L809 HydrophobicContact CB-CD2 4.24Å; I100-L809 HydrophobicContact CG2-CD2 4.03Å; A101-L809 HydrophobicContact CB-CD1 4.17Å; L315-L809 HydrophobicContact CD2-CB 4.39Å; L315-L809 HydrophobicContact CD2-CD2 4.07Å; A572-L809 HydrophobicContact CB-CD1 4.19Å; A572-L809 WeakPolarHBondContact O-CD1 3.47Å; W573-L809 HydrophobicContact CD2-CD1 4.04Å; W573-L809 HydrophobicContact CG-CD1 4.11Å; W573-L809 HydrophobicContact CZ2-CD1 4.23Å | ||
| 810 | K | 79.6 | Confident | 67.3 | Low | 184 Ų | 184 | 86.6 Ų | 86.6 | 80% | 0.8 | 43% | 0.431 | S | S | * | . | trans | -70.1 | 137.4 | -179.9 | -67.2 | -175.2 | 178.2 | 179.8 | 0 | 110.1 | S808 | S808-K810 PolarHBondContact O-N 3.23Å; S808-K810 WeakPolarHBondContact OG-CB 3.41Å; S808-K810 PolarHBondContact OG-N 3.14Å | ||
| 811 | Q | 83.4 | Confident | 70.3 | Confident | 45 Ų | 45 | 87.2 Ų | 87.2 | 21% | 0.21 | 43% | 0.433 | C | S | . | . | trans | -132.6 | 148.7 | 179.3 | -56.4 | -178.7 | -73.6 | 0 | 0 | 109.8 | L315 S316 | L315-Q811 HydrophobicContact CD2-CG 4.37Å; S316-Q811 VanDerWaalsContact CA-NE2 3.35Å; S316-Q811 WeakPolarHBondContact OG-CG 3.38Å; S316-Q811 PolarHBondContact OG-NE2 3.1Å; S316-Q811 VanDerWaalsContact OG-NE2 3.14Å | ||
| 812 | N | 83.9 | Confident | 73.5 | Confident | 36 Ų | 36 | 79.2 Ų | 79.2 | 19% | 0.193 | 41% | 0.407 | C | S | . | . | trans | -66.7 | 134.5 | 170.2 | -171.3 | -29.1 | 0 | 0 | 0 | 110.2 | N814 I815 K816 | N812-N814 VanDerWaalsContact C-N 3.28Å; N812-N814 PolarHBondContact O-N 3Å; N812-N814 PolarHBondContact OD1-N 3.02Å; N812-I815 HydrophobicContact CB-CB 4.49Å; N812-I815 HydrophobicContact CB-CD1 3.81Å; N812-I815 HydrophobicContact CB-CG1 4.16Å; N812-I815 PolarHBondContact O-N 3.39Å; N812-I815 VanDerWaalsContact O-N 3.15Å; N812-K816 WeakPolarHBondContact O-CB 3.38Å; N812-K816 PolarHBondContact O-N 2.88Å | ||
| 813 | S | 86.8 | Confident | 76.7 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.7 | -37.6 | -176.7 | -163.3 | 0 | 0 | 0 | 0 | 112.9 | I815 K816 L817 | S813-I815 PolarHBondContact O-N 2.85Å; S813-K816 PolarHBondContact O-N 2.83Å; S813-L817 PolarHBondContact O-N 2.94Å |
| 814 | N | 86.3 | Confident | 79.7 | Confident | 92 Ų | 92 | 70 Ų | 70 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 178.5 | -68.5 | -28.3 | 0 | 0 | 0 | 112.6 | N812 L817 G818 | N812-N814 VanDerWaalsContact C-N 3.28Å; N812-N814 PolarHBondContact O-N 3Å; N812-N814 PolarHBondContact OD1-N 3.02Å; N814-L817 PolarHBondContact O-N 3.2Å; N814-G818 PolarHBondContact O-N 2.89Å; N814-G818 VanDerWaalsContact O-N 3.17Å |
| 815 | I | 86.9 | Confident | 82.7 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.077 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.6 | -44 | 178.4 | -60.7 | 168.6 | 0 | 0 | 0 | 109.3 | A731 D732 N812 S813 L817 G818 L819 | A731-I815 HydrophobicContact CB-CD1 3.32Å; A731-I815 HydrophobicContact CB-CG1 3.88Å; D732-I815 WeakPolarHBondContact OD1-CD1 3.24Å; N812-I815 HydrophobicContact CB-CB 4.49Å; N812-I815 HydrophobicContact CB-CD1 3.81Å; N812-I815 HydrophobicContact CB-CG1 4.16Å; N812-I815 PolarHBondContact O-N 3.39Å; N812-I815 VanDerWaalsContact O-N 3.15Å; S813-I815 PolarHBondContact O-N 2.85Å; I815-L817 VanDerWaalsContact C-N 3.28Å; I815-L817 PolarHBondContact O-N 3.09Å; I815-G818 PolarHBondContact O-N 2.91Å; I815-G818 VanDerWaalsContact O-N 3.12Å; I815-L819 HydrophobicContact CG2-CD1 3.83Å; I815-L819 HydrophobicContact CG2-CG 4.1Å; I815-L819 WeakPolarHBondContact O-CB 3.49Å; I815-L819 VanDerWaalsContact O-CG 3.28Å; I815-L819 WeakPolarHBondContact O-CG 3.1Å; I815-L819 PolarHBondContact O-N 3.11Å |
| 816 | K | 89.2 | Confident | 85.1 | Confident | 89 Ų | 89 | 64 Ų | 64 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55 | -44.5 | 175.9 | -176.8 | 170.2 | 178.6 | 174.1 | 0 | 111.3 | N812 S813 L819 Y820 | N812-K816 WeakPolarHBondContact O-CB 3.38Å; N812-K816 PolarHBondContact O-N 2.88Å; S813-K816 PolarHBondContact O-N 2.83Å; K816-L819 PolarHBondContact O-N 2.62Å; K816-Y820 HydrophobicContact CD-CE2 4.13Å; K816-Y820 VanDerWaalsContact CE-CE2 3.47Å; K816-Y820 HydrophobicContact CG-CD2 3.86Å; K816-Y820 HydrophobicContact CG-CE2 3.52Å; K816-Y820 WeakPolarHBondContact O-CD2 3.44Å; K816-Y820 PolarHBondContact O-N 3.1Å |
| 817 | L | 91.2 | Very high | 87.1 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 56% | 0.56 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.1 | -48.5 | 174.8 | -178.4 | 64 | 0 | 0 | 0 | 112.3 | S813 N814 I815 L819 Y820 I821 | S813-L817 PolarHBondContact O-N 2.94Å; N814-L817 PolarHBondContact O-N 3.2Å; I815-L817 VanDerWaalsContact C-N 3.28Å; I815-L817 PolarHBondContact O-N 3.09Å; L817-L819 VanDerWaalsContact C-N 3.32Å; L817-L819 PolarHBondContact O-N 3.48Å; L817-Y820 PolarHBondContact O-N 3.11Å; L817-I821 HydrophobicContact CD1-CD1 4.45Å; L817-I821 HydrophobicContact CG-CD1 4.18Å; L817-I821 WeakPolarHBondContact O-CG1 3.4Å; L817-I821 PolarHBondContact O-N 2.93Å |
| 818 | G | 91.4 | Very high | 89 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N814 I815 I821 G822 | N814-G818 PolarHBondContact O-N 2.89Å; N814-G818 VanDerWaalsContact O-N 3.17Å; I815-G818 PolarHBondContact O-N 2.91Å; I815-G818 VanDerWaalsContact O-N 3.12Å; G818-I821 PolarHBondContact O-N 3.42Å; G818-G822 PolarHBondContact O-N 2.99Å |
| 819 | L | 93.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 175.5 | -70.3 | 174.6 | 0 | 0 | 0 | 111.9 | W93 Q319 L323 I815 K816 L817 G822 L823 | W93-L819 HydrophobicContact CH2-CB 3.79Å; W93-L819 HydrophobicContact CH2-CD1 4.32Å; W93-L819 HydrophobicContact CH2-CD2 4.2Å; W93-L819 HydrophobicContact CH2-CG 4.32Å; W93-L819 HydrophobicContact CZ2-CB 3.79Å; Q319-L819 HydrophobicContact CB-CD1 4.05Å; Q319-L819 HydrophobicContact CB-CD2 4.38Å; L323-L819 HydrophobicContact CD1-CB 4.23Å; L323-L819 HydrophobicContact CD1-CD2 3.53Å; L323-L819 HydrophobicContact CD1-CG 4.48Å; I815-L819 HydrophobicContact CG2-CD1 3.83Å; I815-L819 HydrophobicContact CG2-CG 4.1Å; I815-L819 WeakPolarHBondContact O-CB 3.49Å; I815-L819 VanDerWaalsContact O-CG 3.28Å; I815-L819 WeakPolarHBondContact O-CG 3.1Å; I815-L819 PolarHBondContact O-N 3.11Å; K816-L819 PolarHBondContact O-N 2.62Å; L817-L819 VanDerWaalsContact C-N 3.32Å; L817-L819 PolarHBondContact O-N 3.48Å; L819-G822 PolarHBondContact O-N 3.31Å; L819-L823 WeakPolarHBondContact O-CB 3.39Å; L819-L823 PolarHBondContact O-N 3Å |
| 820 | Y | 94.4 | Very high | 91.1 | Very high | 109 Ų | 109 | 66.1 Ų | 66.1 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 174.7 | -82.6 | -65.5 | 0 | 0 | 0 | 113.3 | K816 L817 G822 L823 I824 | K816-Y820 HydrophobicContact CD-CE2 4.13Å; K816-Y820 VanDerWaalsContact CE-CE2 3.47Å; K816-Y820 HydrophobicContact CG-CD2 3.86Å; K816-Y820 HydrophobicContact CG-CE2 3.52Å; K816-Y820 WeakPolarHBondContact O-CD2 3.44Å; K816-Y820 PolarHBondContact O-N 3.1Å; L817-Y820 PolarHBondContact O-N 3.11Å; Y820-G822 VanDerWaalsContact C-N 3.33Å; Y820-L823 HydrophobicContact CD1-CD2 4.3Å; Y820-L823 WeakPolarHBondContact O-CB 3.16Å; Y820-L823 PolarHBondContact O-N 2.99Å; Y820-I824 WeakPolarHBondContact O-CG1 3.39Å; Y820-I824 PolarHBondContact O-N 3.34Å |
| 821 | I | 93.8 | Very high | 91.8 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.1 | -66.5 | 167 | 0 | 0 | 0 | 109.6 | L817 G818 L823 I824 L825 | L817-I821 HydrophobicContact CD1-CD1 4.45Å; L817-I821 HydrophobicContact CG-CD1 4.18Å; L817-I821 WeakPolarHBondContact O-CG1 3.4Å; L817-I821 PolarHBondContact O-N 2.93Å; G818-I821 PolarHBondContact O-N 3.42Å; I821-L823 VanDerWaalsContact C-N 3.33Å; I821-L823 PolarHBondContact O-N 3.3Å; I821-I824 PolarHBondContact O-N 3.29Å; I821-L825 WeakPolarHBondContact O-CB 3.38Å; I821-L825 PolarHBondContact O-N 3.47Å |
| 822 | G | 93.7 | Very high | 92.3 | Very high | 17 Ų | 17 | 65 Ų | 65 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G818 L819 Y820 L825 T826 | G818-G822 PolarHBondContact O-N 2.99Å; L819-G822 PolarHBondContact O-N 3.31Å; Y820-G822 VanDerWaalsContact C-N 3.33Å; G822-L825 PolarHBondContact O-N 3.27Å; G822-T826 WeakPolarHBondContact O-CB 3.25Å; G822-T826 PolarHBondContact O-N 3.33Å; G822-T826 PolarHBondContact O-OG1 3.02Å |
| 823 | L | 95.8 | Very high | 92.8 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.12 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.4 | -54.5 | 176.1 | 175.5 | 80.5 | 0 | 0 | 0 | 110.8 | Q89 W93 L323 L819 Y820 I821 L825 T826 I827 | Q89-L823 HydrophobicContact CB-CD1 3.52Å; Q89-L823 HydrophobicContact CG-CD1 3.82Å; W93-L823 HydrophobicContact CD2-CD1 4.43Å; W93-L823 HydrophobicContact CG-CD1 4.2Å; W93-L823 HydrophobicContact CZ2-CB 4.4Å; L323-L823 VanDerWaalsContact CD2-CA 3.48Å; L323-L823 HydrophobicContact CD2-CB 4.18Å; L323-L823 VanDerWaalsContact CD2-N 3.25Å; L819-L823 WeakPolarHBondContact O-CB 3.39Å; L819-L823 PolarHBondContact O-N 3Å; Y820-L823 HydrophobicContact CD1-CD2 4.3Å; Y820-L823 WeakPolarHBondContact O-CB 3.16Å; Y820-L823 PolarHBondContact O-N 2.99Å; I821-L823 VanDerWaalsContact C-N 3.33Å; I821-L823 PolarHBondContact O-N 3.3Å; L823-L825 VanDerWaalsContact C-N 3.31Å; L823-L825 PolarHBondContact O-N 3.13Å; L823-T826 PolarHBondContact O-N 2.89Å; L823-I827 HydrophobicContact CD1-CD1 3.96Å; L823-I827 HydrophobicContact CD2-CD1 4.37Å; L823-I827 HydrophobicContact CG-CD1 3.88Å; L823-I827 WeakPolarHBondContact O-CG1 3.46Å; L823-I827 PolarHBondContact O-N 3.44Å |
| 824 | I | 95.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 60 Ų | 60 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | -176.5 | -68.7 | 167.6 | 0 | 0 | 0 | 109.7 | Y820 I821 T826 I827 I828 | Y820-I824 WeakPolarHBondContact O-CG1 3.39Å; Y820-I824 PolarHBondContact O-N 3.34Å; I821-I824 PolarHBondContact O-N 3.29Å; I824-T826 PolarHBondContact O-N 3.15Å; I824-I827 PolarHBondContact O-N 3.13Å; I824-I828 HydrophobicContact CG2-CD1 3.56Å; I824-I828 HydrophobicContact CG2-CG1 4.27Å; I824-I828 WeakPolarHBondContact O-CB 3.21Å; I824-I828 VanDerWaalsContact O-CG1 3.24Å; I824-I828 WeakPolarHBondContact O-CG1 3.47Å; I824-I828 PolarHBondContact O-N 3.08Å |
| 825 | L | 94.2 | Very high | 93.5 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 177 | -178.5 | 65.1 | 0 | 0 | 0 | 112.1 | I821 G822 L823 I828 L829 | I821-L825 WeakPolarHBondContact O-CB 3.38Å; I821-L825 PolarHBondContact O-N 3.47Å; G822-L825 PolarHBondContact O-N 3.27Å; L823-L825 VanDerWaalsContact C-N 3.31Å; L823-L825 PolarHBondContact O-N 3.13Å; L825-I828 PolarHBondContact O-N 3.01Å; L825-L829 VanDerWaalsContact O-CB 3.31Å; L825-L829 WeakPolarHBondContact O-CB 3.4Å; L825-L829 PolarHBondContact O-N 3.3Å |
| 826 | T | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | -178.9 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | S85 Q89 L327 G822 L823 I824 S830 | S85-T826 WeakPolarHBondContact OG-CG2 3.38Å; Q89-T826 HydrophobicContact CG-CG2 4.27Å; L327-T826 HydrophobicContact CD2-CG2 4.26Å; L327-T826 VanDerWaalsContact CD2-OG1 3.31Å; L327-T826 WeakPolarHBondContact CD2-OG1 3.09Å; L327-T826 HydrophobicContact CG-CG2 4.46Å; G822-T826 WeakPolarHBondContact O-CB 3.25Å; G822-T826 PolarHBondContact O-N 3.33Å; G822-T826 PolarHBondContact O-OG1 3.02Å; L823-T826 PolarHBondContact O-N 2.89Å; I824-T826 PolarHBondContact O-N 3.15Å; T826-S830 WeakPolarHBondContact O-CB 3.47Å; T826-S830 PolarHBondContact O-N 3.45Å; T826-S830 PolarHBondContact O-OG 3.13Å |
| 827 | I | 94.5 | Very high | 94.1 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 176.6 | -68.2 | 173.3 | 0 | 0 | 0 | 110.4 | L823 I824 L829 S830 I831 | L823-I827 HydrophobicContact CD1-CD1 3.96Å; L823-I827 HydrophobicContact CD2-CD1 4.37Å; L823-I827 HydrophobicContact CG-CD1 3.88Å; L823-I827 WeakPolarHBondContact O-CG1 3.46Å; L823-I827 PolarHBondContact O-N 3.44Å; I824-I827 PolarHBondContact O-N 3.13Å; I827-L829 VanDerWaalsContact C-N 3.32Å; I827-L829 PolarHBondContact O-N 3.06Å; I827-S830 PolarHBondContact O-N 3.28Å; I827-I831 HydrophobicContact CG2-CD1 3.62Å; I827-I831 HydrophobicContact CG2-CG1 4.3Å; I827-I831 WeakPolarHBondContact O-CG1 3.08Å; I827-I831 PolarHBondContact O-N 3.32Å |
| 828 | I | 95.4 | Very high | 94.1 | Very high | 102 Ų | 102 | 55.4 Ų | 55.4 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 178.2 | -71.8 | 171.9 | 0 | 0 | 0 | 110.6 | I824 L825 S830 I831 F832 | I824-I828 HydrophobicContact CG2-CD1 3.56Å; I824-I828 HydrophobicContact CG2-CG1 4.27Å; I824-I828 WeakPolarHBondContact O-CB 3.21Å; I824-I828 VanDerWaalsContact O-CG1 3.24Å; I824-I828 WeakPolarHBondContact O-CG1 3.47Å; I824-I828 PolarHBondContact O-N 3.08Å; L825-I828 PolarHBondContact O-N 3.01Å; I828-S830 VanDerWaalsContact C-N 3.32Å; I828-S830 PolarHBondContact O-N 3.41Å; I828-I831 PolarHBondContact O-N 2.98Å; I828-F832 VanDerWaalsContact O-CB 3.23Å; I828-F832 WeakPolarHBondContact O-CB 3.2Å; I828-F832 PolarHBondContact O-N 3.04Å |
| 829 | L | 95 | Very high | 94.1 | Very high | 74 Ų | 74 | 58.6 Ų | 58.6 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 179.3 | -175.5 | 62.3 | 0 | 0 | 0 | 111.8 | Q330 L825 I827 G833 | Q330-L829 HydrophobicContact CG-CD2 3.88Å; Q330-L829 HydrophobicContact CG-CG 4.37Å; L825-L829 VanDerWaalsContact O-CB 3.31Å; L825-L829 WeakPolarHBondContact O-CB 3.4Å; L825-L829 PolarHBondContact O-N 3.3Å; I827-L829 VanDerWaalsContact C-N 3.32Å; I827-L829 PolarHBondContact O-N 3.06Å; L829-G833 PolarHBondContact O-N 3.1Å |
| 830 | S | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 178.5 | -52 | 0 | 0 | 0 | 0 | 111.6 | S85 Q330 T826 I827 I828 G833 F834 | S85-S830 WeakPolarHBondContact CB-OG 2.99Å; S85-S830 PolarHBondContact OG-OG 3.47Å; Q330-S830 PolarHBondContact NE2-OG 3.44Å; T826-S830 WeakPolarHBondContact O-CB 3.47Å; T826-S830 PolarHBondContact O-N 3.45Å; T826-S830 PolarHBondContact O-OG 3.13Å; I827-S830 PolarHBondContact O-N 3.28Å; I828-S830 VanDerWaalsContact C-N 3.32Å; I828-S830 PolarHBondContact O-N 3.41Å; S830-G833 PolarHBondContact O-N 3.24Å; S830-F834 VanDerWaalsContact O-CD2 3.3Å; S830-F834 WeakPolarHBondContact O-CD2 3.45Å; S830-F834 PolarHBondContact O-N 2.89Å |
| 831 | I | 94 | Very high | 93.8 | Very high | 82 Ų | 82 | 61.5 Ų | 61.5 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.9 | -67.5 | 171.8 | 0 | 0 | 0 | 110.5 | I827 I828 G833 F834 I835 | I827-I831 HydrophobicContact CG2-CD1 3.62Å; I827-I831 HydrophobicContact CG2-CG1 4.3Å; I827-I831 WeakPolarHBondContact O-CG1 3.08Å; I827-I831 PolarHBondContact O-N 3.32Å; I828-I831 PolarHBondContact O-N 2.98Å; I831-G833 VanDerWaalsContact C-N 3.32Å; I831-G833 PolarHBondContact O-N 2.64Å; I831-F834 PolarHBondContact O-N 2.98Å; I831-I835 HydrophobicContact CG2-CD1 3.78Å; I831-I835 HydrophobicContact CG2-CG1 4.43Å; I831-I835 WeakPolarHBondContact O-CG1 3.07Å; I831-I835 PolarHBondContact O-N 3.07Å |
| 832 | F | 95.2 | Very high | 93.2 | Very high | 124 Ų | 124 | 63.2 Ų | 63.2 | 54% | 0.544 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 174.2 | 173.9 | -96.4 | 0 | 0 | 0 | 110.9 | I828 F834 I835 F836 | I828-F832 VanDerWaalsContact O-CB 3.23Å; I828-F832 WeakPolarHBondContact O-CB 3.2Å; I828-F832 PolarHBondContact O-N 3.04Å; F832-F834 PolarHBondContact O-N 3.38Å; F832-I835 PolarHBondContact O-N 3.11Å; F832-F836 HydrophobicContact CD1-CB 4.5Å; F832-F836 HydrophobicContact CE1-CB 4.12Å; F832-F836 HydrophobicContact CE1-CG 4.28Å; F832-F836 HydrophobicContact CE2-CB 4.44Å; F832-F836 HydrophobicContact CZ-CB 4.1Å; F832-F836 HydrophobicContact CZ-CD2 4.03Å; F832-F836 HydrophobicContact CZ-CG 4.16Å; F832-F836 WeakPolarHBondContact O-CB 3.48Å; F832-F836 PolarHBondContact O-N 3.44Å |
| 833 | G | 94.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 66 Ų | 66 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L829 S830 I831 F837 | L829-G833 PolarHBondContact O-N 3.1Å; S830-G833 PolarHBondContact O-N 3.24Å; I831-G833 VanDerWaalsContact C-N 3.32Å; I831-G833 PolarHBondContact O-N 2.64Å; G833-F837 WeakPolarHBondContact O-CB 3.48Å; G833-F837 VanDerWaalsContact O-CD2 3.27Å; G833-F837 WeakPolarHBondContact O-CD2 3.42Å; G833-F837 PolarHBondContact O-N 2.81Å |
| 834 | F | 93.3 | Very high | 92.5 | Very high | 19 Ų | 19 | 65.7 Ų | 65.7 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 176.2 | -87.5 | -69.9 | 0 | 0 | 0 | 112.4 | A79 L82 N83 I86 L273 L274 F287 S830 I831 F832 S838 | A79-F834 HydrophobicContact CB-CE1 3.97Å; A79-F834 WeakPolarHBondContact O-CZ 3.39Å; L82-F834 HydrophobicContact CB-CD2 3.91Å; L82-F834 HydrophobicContact CB-CE1 4.3Å; L82-F834 HydrophobicContact CB-CE2 3.4Å; L82-F834 VanDerWaalsContact CB-CE2 3.4Å; L82-F834 HydrophobicContact CB-CZ 3.62Å; L82-F834 HydrophobicContact CD1-CD1 4.46Å; L82-F834 HydrophobicContact CD1-CD2 4.32Å; L82-F834 HydrophobicContact CD1-CG 4.27Å; N83-F834 HydrophobicContact CB-CZ 4.07Å; I86-F834 HydrophobicContact CD1-CE2 4.31Å; L273-F834 HydrophobicContact CD2-CD1 3.59Å; L273-F834 HydrophobicContact CD2-CE1 4.03Å; L273-F834 HydrophobicContact CD2-CG 4.35Å; L274-F834 HydrophobicContact CD1-CD1 3.8Å; L274-F834 HydrophobicContact CD1-CE1 4.35Å; L274-F834 HydrophobicContact CD2-CD1 4.34Å; L274-F834 HydrophobicContact CD2-CE1 4.19Å; L274-F834 HydrophobicContact CG-CD1 4.03Å; L274-F834 HydrophobicContact CG-CE1 4.38Å; F287-F834 AromaticContact CE1-CE1 3.91Å; F287-F834 HydrophobicContact CE1-CE1 3.91Å; F287-F834 AromaticContact CE1-CZ 3.94Å; F287-F834 HydrophobicContact CE1-CZ 3.94Å; S830-F834 VanDerWaalsContact O-CD2 3.3Å; S830-F834 WeakPolarHBondContact O-CD2 3.45Å; S830-F834 PolarHBondContact O-N 2.89Å; I831-F834 PolarHBondContact O-N 2.98Å; F832-F834 PolarHBondContact O-N 3.38Å; F834-S838 WeakPolarHBondContact O-CB 3.25Å; F834-S838 PolarHBondContact O-N 3.37Å; F834-S838 VanDerWaalsContact O-N 3.16Å; F834-S838 PolarHBondContact O-OG 3.25Å |
| 835 | I | 93.8 | Very high | 92.1 | Very high | 102 Ų | 102 | 69.8 Ų | 69.8 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -49.6 | -178.7 | -65.3 | 170.4 | 0 | 0 | 0 | 110.3 | I831 F832 S838 V839 | I831-I835 HydrophobicContact CG2-CD1 3.78Å; I831-I835 HydrophobicContact CG2-CG1 4.43Å; I831-I835 WeakPolarHBondContact O-CG1 3.07Å; I831-I835 PolarHBondContact O-N 3.07Å; F832-I835 PolarHBondContact O-N 3.11Å; I835-S838 PolarHBondContact O-N 3.33Å; I835-V839 HydrophobicContact CG2-CG2 4.49Å; I835-V839 WeakPolarHBondContact O-CB 3.17Å; I835-V839 WeakPolarHBondContact O-CG2 3.39Å; I835-V839 PolarHBondContact O-N 3.36Å |
| 836 | F | 94.6 | Very high | 92 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -55.2 | -177.8 | 179.1 | -99 | 0 | 0 | 0 | 111.1 | F832 S838 V839 Y840 F841 | F832-F836 HydrophobicContact CD1-CB 4.5Å; F832-F836 HydrophobicContact CE1-CB 4.12Å; F832-F836 HydrophobicContact CE1-CG 4.28Å; F832-F836 HydrophobicContact CE2-CB 4.44Å; F832-F836 HydrophobicContact CZ-CB 4.1Å; F832-F836 HydrophobicContact CZ-CD2 4.03Å; F832-F836 HydrophobicContact CZ-CG 4.16Å; F832-F836 WeakPolarHBondContact O-CB 3.48Å; F832-F836 PolarHBondContact O-N 3.44Å; F836-S838 VanDerWaalsContact C-N 3.25Å; F836-S838 PolarHBondContact O-N 3.01Å; F836-V839 PolarHBondContact O-N 3.05Å; F836-Y840 HydrophobicContact CD2-CD2 4.22Å; F836-Y840 HydrophobicContact CD2-CG 4.08Å; F836-Y840 AromaticContact CE2-CD1 3.91Å; F836-Y840 HydrophobicContact CE2-CD1 3.91Å; F836-Y840 AromaticContact CE2-CD2 3.64Å; F836-Y840 HydrophobicContact CE2-CD2 3.64Å; F836-Y840 HydrophobicContact CE2-CE1 4.38Å; F836-Y840 HydrophobicContact CE2-CE2 4.12Å; F836-Y840 AromaticContact CE2-CG 3.52Å; F836-Y840 HydrophobicContact CE2-CG 3.52Å; F836-Y840 AromaticContact CZ-CD1 3.78Å; F836-Y840 HydrophobicContact CZ-CD1 3.78Å; F836-Y840 HydrophobicContact CZ-CD2 4.34Å; F836-Y840 HydrophobicContact CZ-CE1 4.18Å; F836-Y840 AromaticContact CZ-CG 3.87Å; F836-Y840 HydrophobicContact CZ-CG 3.87Å; F836-Y840 WeakPolarHBondContact O-CB 3.25Å; F836-Y840 PolarHBondContact O-N 3.1Å; F836-F841 AromaticContact CE1-CE2 3.88Å; F836-F841 HydrophobicContact CE1-CE2 3.88Å; F836-F841 HydrophobicContact CE1-CZ 4.25Å; F836-F841 HydrophobicContact CZ-CE2 4.34Å; F836-F841 HydrophobicContact CZ-CZ 4.42Å |
| 837 | F | 93.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 66.8 Ų | 66.8 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -75.3 | -9.2 | -177.7 | -70 | -67.7 | 0 | 0 | 0 | 114.5 | I75 L273 L333 F334 G833 F841 | I75-F837 HydrophobicContact CD1-CB 3.92Å; I75-F837 HydrophobicContact CD1-CD1 3.68Å; I75-F837 HydrophobicContact CD1-CG 4.13Å; L273-F837 HydrophobicContact CB-CB 3.77Å; L273-F837 WeakPolarHBondContact CB-O 3.38Å; L273-F837 HydrophobicContact CD2-CB 4.15Å; L273-F837 HydrophobicContact CG-CB 4.42Å; L273-F837 PolarHBondContact N-O 3.47Å; L333-F837 HydrophobicContact CD2-CD2 3.8Å; L333-F837 HydrophobicContact CD2-CE2 3.53Å; L333-F837 HydrophobicContact CD2-CG 4.45Å; L333-F837 HydrophobicContact CD2-CZ 3.95Å; F334-F837 HydrophobicContact CE1-CE2 4.49Å; F334-F837 AromaticContact CE1-CZ 3.76Å; F334-F837 HydrophobicContact CE1-CZ 3.76Å; F334-F837 AromaticContact CZ-CE2 3.95Å; F334-F837 HydrophobicContact CZ-CE2 3.95Å; F334-F837 AromaticContact CZ-CZ 3.64Å; F334-F837 HydrophobicContact CZ-CZ 3.64Å; G833-F837 WeakPolarHBondContact O-CB 3.48Å; G833-F837 VanDerWaalsContact O-CD2 3.27Å; G833-F837 WeakPolarHBondContact O-CD2 3.42Å; G833-F837 PolarHBondContact O-N 2.81Å; F837-F841 HydrophobicContact CD1-CD2 4.17Å; F837-F841 AromaticContact CD1-CE2 3.62Å; F837-F841 HydrophobicContact CD1-CE2 3.62Å; F837-F841 AromaticContact CE1-CE2 3.87Å; F837-F841 HydrophobicContact CE1-CE2 3.87Å |
| 838 | S | 92.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 66.5 Ų | 66.5 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -96.1 | -23.9 | 174.2 | -53.1 | 0 | 0 | 0 | 0 | 113.4 | L274 F834 I835 F836 | L274-S838 WeakPolarHBondContact CB-OG 3.46Å; L274-S838 PolarHBondContact N-OG 2.92Å; F834-S838 WeakPolarHBondContact O-CB 3.25Å; F834-S838 PolarHBondContact O-N 3.37Å; F834-S838 VanDerWaalsContact O-N 3.16Å; F834-S838 PolarHBondContact O-OG 3.25Å; I835-S838 PolarHBondContact O-N 3.33Å; F836-S838 VanDerWaalsContact C-N 3.25Å; F836-S838 PolarHBondContact O-N 3.01Å |
| 839 | V | 91.4 | Very high | 91.4 | Very high | 111 Ų | 111 | 61.7 Ų | 61.7 | 67% | 0.673 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -116.8 | -29.8 | -171.7 | -177.3 | 0 | 0 | 0 | 0 | 113 | I835 F836 | I835-V839 HydrophobicContact CG2-CG2 4.49Å; I835-V839 WeakPolarHBondContact O-CB 3.17Å; I835-V839 WeakPolarHBondContact O-CG2 3.39Å; I835-V839 PolarHBondContact O-N 3.36Å; F836-V839 PolarHBondContact O-N 3.05Å |
| 840 | Y | 91.7 | Very high | 91.3 | Very high | 154 Ų | 154 | 58.7 Ų | 58.7 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -74.6 | -31.9 | -171.5 | -175.6 | -94.2 | 0 | 0 | 0 | 113.7 | F836 | F836-Y840 HydrophobicContact CD2-CD2 4.22Å; F836-Y840 HydrophobicContact CD2-CG 4.08Å; F836-Y840 AromaticContact CE2-CD1 3.91Å; F836-Y840 HydrophobicContact CE2-CD1 3.91Å; F836-Y840 AromaticContact CE2-CD2 3.64Å; F836-Y840 HydrophobicContact CE2-CD2 3.64Å; F836-Y840 HydrophobicContact CE2-CE1 4.38Å; F836-Y840 HydrophobicContact CE2-CE2 4.12Å; F836-Y840 AromaticContact CE2-CG 3.52Å; F836-Y840 HydrophobicContact CE2-CG 3.52Å; F836-Y840 AromaticContact CZ-CD1 3.78Å; F836-Y840 HydrophobicContact CZ-CD1 3.78Å; F836-Y840 HydrophobicContact CZ-CD2 4.34Å; F836-Y840 HydrophobicContact CZ-CE1 4.18Å; F836-Y840 AromaticContact CZ-CG 3.87Å; F836-Y840 HydrophobicContact CZ-CG 3.87Å; F836-Y840 WeakPolarHBondContact O-CB 3.25Å; F836-Y840 PolarHBondContact O-N 3.1Å |
| 841 | F | 89.6 | Confident | 91.2 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 127.8 | -176.7 | -63.3 | -76.4 | 0 | 0 | 0 | 110.9 | F208 L212 F271 F836 F837 | F208-F841 AromaticContact CE1-CE1 3.65Å; F208-F841 HydrophobicContact CE1-CE1 3.65Å; F208-F841 AromaticContact CE1-CZ 3.52Å; F208-F841 HydrophobicContact CE1-CZ 3.52Å; F208-F841 AromaticContact CZ-CE1 3.99Å; F208-F841 HydrophobicContact CZ-CE1 3.99Å; F208-F841 HydrophobicContact CZ-CE2 4.38Å; F208-F841 AromaticContact CZ-CZ 3.6Å; F208-F841 HydrophobicContact CZ-CZ 3.6Å; L212-F841 HydrophobicContact CD1-CD1 4.32Å; F271-F841 HydrophobicContact CB-CB 3.67Å; F271-F841 HydrophobicContact CB-CD1 4.46Å; F271-F841 HydrophobicContact CB-CD2 4.5Å; F271-F841 HydrophobicContact CB-CG 3.97Å; F271-F841 WeakPolarHBondContact O-CB 3.41Å; F836-F841 AromaticContact CE1-CE2 3.88Å; F836-F841 HydrophobicContact CE1-CE2 3.88Å; F836-F841 HydrophobicContact CE1-CZ 4.25Å; F836-F841 HydrophobicContact CZ-CE2 4.34Å; F836-F841 HydrophobicContact CZ-CZ 4.42Å; F837-F841 HydrophobicContact CD1-CD2 4.17Å; F837-F841 AromaticContact CD1-CE2 3.62Å; F837-F841 HydrophobicContact CD1-CE2 3.62Å; F837-F841 AromaticContact CE1-CE2 3.87Å; F837-F841 HydrophobicContact CE1-CE2 3.87Å |
| 842 | D | 82.2 | Confident | 90.8 | Very high | 139 Ų | 139 | 58.8 Ų | 58.8 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 170.9 | 169.9 | -67.7 | -46.5 | 0 | 0 | 0 | 111.5 | ||
| 843 | S | 84.8 | Confident | 90.3 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 53% | 0.531 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 138.6 | 171.1 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | E268 | E268-S843 CarbonylContact O-C 3.17Å; E268-S843 WeakPolarHBondContact O-CA 3.5Å |
| 844 | I | 90.3 | Very high | 89.4 | Confident | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 146.9 | 174.9 | 61.5 | 173 | 0 | 0 | 0 | 111.1 | L212 Y215 E268 A270 F271 I846 | L212-I844 HydrophobicContact CD1-CG2 4.24Å; Y215-I844 HydrophobicContact CD1-CD1 3.71Å; Y215-I844 HydrophobicContact CE1-CD1 4.42Å; E268-I844 WeakPolarHBondContact O-CG1 3.15Å; E268-I844 PolarHBondContact O-N 3.46Å; A270-I844 HydrophobicContact CB-CD1 3.98Å; F271-I844 HydrophobicContact CD2-CG2 3.43Å; F271-I844 VanDerWaalsContact CD2-CG2 3.43Å; F271-I844 HydrophobicContact CE2-CG2 3.72Å; I844-I846 HydrophobicContact CD1-CD1 4.22Å; I844-I846 HydrophobicContact CG1-CD1 4.27Å |
| 845 | Q | 86.9 | Confident | 88.3 | Confident | 183 Ų | 183 | 63.2 Ų | 63.2 | 86% | 0.855 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -83 | 127.3 | 169.3 | -67.1 | -178.3 | -18.4 | 0 | 0 | 109.8 | ||
| 846 | I | 90.9 | Very high | 87.3 | Confident | 26 Ų | 26 | 63 Ų | 63 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 127.5 | 174.1 | -56.6 | -51.1 | 0 | 0 | 0 | 108.9 | I219 L248 T249 L265 P266 E268 I844 | I219-I846 HydrophobicContact CD1-CG2 3.87Å; L248-I846 HydrophobicContact CD2-CG2 4.28Å; T249-I846 HydrophobicContact CG2-CB 3.91Å; T249-I846 HydrophobicContact CG2-CG1 3.45Å; T249-I846 VanDerWaalsContact CG2-CG1 3.45Å; T249-I846 HydrophobicContact CG2-CG2 4.32Å; L265-I846 HydrophobicContact CD2-CG2 4.28Å; P266-I846 HydrophobicContact CB-CD1 4.25Å; P266-I846 WeakPolarHBondContact O-CD1 3.49Å; E268-I846 HydrophobicContact CG-CD1 4.43Å; E268-I846 HydrophobicContact CG-CG1 4.04Å; I844-I846 HydrophobicContact CD1-CD1 4.22Å; I844-I846 HydrophobicContact CG1-CD1 4.27Å |
| 847 | G | 88.1 | Confident | 85.9 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | trans | -76.4 | 177 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G216 | G216-G847 PolarHBondContact O-N 3.29Š| ||
| 848 | P | 91.5 | Very high | 84.4 | Confident | 48 Ų | 48 | 74.3 Ų | 74.3 | 31% | 0.312 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 147.1 | 176.4 | 27.1 | -34.2 | 0 | 0 | 0 | 111.4 | P850 L876 T878 | P848-P850 WeakPolarHBondContact O-CD 3.49Å; P848-L876 WeakPolarHBondContact CA-O 3.04Å; P848-T878 HydrophobicContact CB-CG2 4.37Å; P848-T878 HydrophobicContact CG-CG2 4.11Å |
| 849 | L | 92.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.6 | 178.7 | -177.9 | 61.2 | 0 | 0 | 0 | 110.4 | I219 I222 L236 L248 L261 L876 I877 T878 | I219-L849 HydrophobicContact CG2-CD1 3.66Å; I222-L849 HydrophobicContact CD1-CD1 3.86Å; I222-L849 HydrophobicContact CD1-CD2 3.29Å; I222-L849 HydrophobicContact CD1-CG 3.59Å; I222-L849 HydrophobicContact CG1-CD1 4.1Å; I222-L849 HydrophobicContact CG1-CD2 4.35Å; I222-L849 HydrophobicContact CG1-CG 4.15Å; L236-L849 HydrophobicContact CD1-CD2 3.71Å; L248-L849 HydrophobicContact CD1-CB 4.26Å; L248-L849 HydrophobicContact CD1-CD2 4.31Å; L248-L849 HydrophobicContact CD2-CB 3.87Å; L261-L849 HydrophobicContact CD1-CD1 3.96Å; L261-L849 HydrophobicContact CD1-CD2 4.4Å; L261-L849 HydrophobicContact CD2-CD2 4.41Å; L849-L876 PolarHBondContact N-O 3.19Å; L849-I877 HydrophobicContact CB-CG2 4.15Å; L849-I877 CarbonylContact O-C 3.59Å; L849-I877 WeakPolarHBondContact O-CA 3.44Å; L849-I877 WeakPolarHBondContact O-CB 3.4Å; L849-T878 PolarHBondContact O-N 3.12Å |
| 850 | P | 92.8 | Very high | 82.5 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 7% | 0.065 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 133.1 | 179.7 | 21.7 | -25.1 | 0 | 0 | 0 | 111.5 | I219 P221 I222 P848 T878 | I219-P850 HydrophobicContact CB-CG 4.5Å; I219-P850 WeakPolarHBondContact O-CG 3.33Å; P221-P850 CarbonylContact C-O 3.52Å; P221-P850 WeakPolarHBondContact CA-O 3.49Å; P221-P850 HydrophobicContact CB-CB 4.24Å; P221-P850 HydrophobicContact CB-CG 4.36Å; I222-P850 PolarHBondContact N-O 3.45Å; P848-P850 WeakPolarHBondContact O-CD 3.49Å; P850-T878 CarbonylContact C-O 3.29Å; P850-T878 WeakPolarHBondContact CA-O 3.3Å; P850-T878 HydrophobicContact CB-CG2 4.01Å |
| 851 | V | 91.7 | Very high | 82 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.1 | -179.2 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | I222 I224 I233 I853 L868 I877 T878 I879 Q880 | I222-V851 HydrophobicContact CB-CG2 4.34Å; I224-V851 HydrophobicContact CD1-CG1 3.43Å; I224-V851 VanDerWaalsContact CD1-CG1 3.43Å; I224-V851 HydrophobicContact CG1-CG1 3.46Å; I224-V851 VanDerWaalsContact CG1-CG1 3.46Å; I233-V851 HydrophobicContact CD1-CG2 3.94Å; V851-I853 HydrophobicContact CG1-CD1 4.44Å; V851-I853 HydrophobicContact CG1-CG1 4.14Å; V851-L868 HydrophobicContact CG1-CD2 4.06Å; V851-I877 HydrophobicContact CG2-CB 3.98Å; V851-I877 HydrophobicContact CG2-CD1 4.36Å; V851-I877 HydrophobicContact CG2-CG2 4Å; V851-T878 PolarHBondContact N-O 3.36Å; V851-I879 WeakPolarHBondContact O-CA 3.36Å; V851-Q880 PolarHBondContact O-N 3.44Å |
| 852 | H | 86.6 | Confident | 81.9 | Confident | 84 Ų | 84 | 77 Ų | 77 | 39% | 0.389 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.6 | -179.2 | -166.9 | -90.5 | 0 | 0 | 0 | 110.5 | I222 N854 | I222-H852 PolarHBondContact O-N 3.46Å; H852-N854 PolarHBondContact CE1-OD1 3.45Å; H852-N854 PolarHBondContact ND1-OD1 2.94Å; H852-N854 VanDerWaalsContact ND1-OD1 3.11Å |
| 853 | I | 83.7 | Confident | 82.2 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 9% | 0.092 | 40% | 0.396 | C | S | . | . | trans | -125.5 | 105.4 | -179.3 | -52.2 | -172.1 | 0 | 0 | 0 | 109.5 | I224 V851 D855 W856 I859 L868 I879 Q880 | I224-I853 HydrophobicContact CD1-CD1 3.56Å; I224-I853 HydrophobicContact CD1-CG1 3.5Å; I224-I853 HydrophobicContact CG1-CG1 4.23Å; V851-I853 HydrophobicContact CG1-CD1 4.44Å; V851-I853 HydrophobicContact CG1-CG1 4.14Å; I853-D855 PolarHBondContact O-N 3.02Å; I853-W856 HydrophobicContact CD1-CD2 4.09Å; I853-W856 HydrophobicContact CD1-CE3 4.25Å; I853-W856 HydrophobicContact CD1-CH2 4.17Å; I853-W856 HydrophobicContact CD1-CZ2 3.97Å; I853-W856 HydrophobicContact CD1-CZ3 4.27Å; I853-W856 HydrophobicContact CG2-CD2 4.24Å; I853-W856 HydrophobicContact CG2-CG 4.03Å; I853-I859 HydrophobicContact CD1-CD1 4.37Å; I853-I859 HydrophobicContact CG2-CD1 4.04Å; I853-L868 HydrophobicContact CD1-CD1 4Å; I853-L868 HydrophobicContact CD1-CD2 4.45Å; I853-I879 HydrophobicContact CB-CG2 4.3Å; I853-I879 HydrophobicContact CD1-CD1 4.38Å; I853-I879 HydrophobicContact CD1-CG2 3.67Å; I853-I879 HydrophobicContact CG1-CG2 3.88Å; I853-Q880 PolarHBondContact N-O 3.31Å; I853-Q880 VanDerWaalsContact N-O 3.09Å | ||
| 854 | N | 74.6 | Confident | 82.4 | Confident | 124 Ų | 124 | 71.2 Ų | 71.2 | 66% | 0.663 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -61.5 | -46 | 179.1 | -66.7 | -7.4 | 0 | 0 | 0 | 112.3 | H852 | H852-N854 PolarHBondContact CE1-OD1 3.45Å; H852-N854 PolarHBondContact ND1-OD1 2.94Å; H852-N854 VanDerWaalsContact ND1-OD1 3.11Å |
| 855 | D | 71.6 | Confident | 82.3 | Confident | 100 Ų | 100 | 75 Ų | 75 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | trans | -148.7 | 111.1 | 179.7 | -90.4 | -44.6 | 0 | 0 | 0 | 110.7 | I853 I857 M858 | I853-D855 PolarHBondContact O-N 3.02Å; D855-I857 PolarHBondContact O-N 3.41Å; D855-I857 VanDerWaalsContact O-N 3.17Å; D855-M858 HydrophobicContact CB-CB 4.09Å; D855-M858 HydrophobicContact CB-CG 3.75Å; D855-M858 PolarHBondContact O-N 3.3Å; D855-M858 VanDerWaalsContact O-N 3.1Å | ||
| 856 | W | 71.1 | Confident | 82.5 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 37% | 0.367 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -58.3 | -28.5 | 178.5 | -81.9 | 91.6 | 0 | 0 | 0 | 114.4 | I853 M858 I879 | I853-W856 HydrophobicContact CD1-CD2 4.09Å; I853-W856 HydrophobicContact CD1-CE3 4.25Å; I853-W856 HydrophobicContact CD1-CH2 4.17Å; I853-W856 HydrophobicContact CD1-CZ2 3.97Å; I853-W856 HydrophobicContact CD1-CZ3 4.27Å; I853-W856 HydrophobicContact CG2-CD2 4.24Å; I853-W856 HydrophobicContact CG2-CG 4.03Å; W856-M858 VanDerWaalsContact C-N 3.31Å; W856-I879 HydrophobicContact CH2-CD1 3.13Å; W856-I879 HydrophobicContact CH2-CG1 4.46Å; W856-I879 HydrophobicContact CZ2-CB 4.11Å; W856-I879 HydrophobicContact CZ2-CD1 3.14Å; W856-I879 HydrophobicContact CZ2-CG1 4.13Å; W856-I879 HydrophobicContact CZ2-CG2 3.58Å; W856-I879 HydrophobicContact CZ3-CD1 4.36Å |
| 857 | I | 65.3 | Low | 82.5 | Confident | 165 Ų | 165 | 69.4 Ų | 69.4 | 85% | 0.846 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -76.4 | -22.2 | -177.6 | -59.9 | 171.1 | 0 | 0 | 0 | 111.1 | D855 I859 | D855-I857 PolarHBondContact O-N 3.41Å; D855-I857 VanDerWaalsContact O-N 3.17Å; I857-I859 VanDerWaalsContact C-N 3.34Å |
| 858 | M | 62.7 | Low | 82.6 | Confident | 152 Ų | 152 | 68.8 Ų | 68.8 | 75% | 0.749 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -82.7 | -8.6 | -177.8 | -71.9 | -101.5 | -82.6 | 0 | 0 | 113.6 | D855 W856 S860 | D855-M858 HydrophobicContact CB-CB 4.09Å; D855-M858 HydrophobicContact CB-CG 3.75Å; D855-M858 PolarHBondContact O-N 3.3Å; D855-M858 VanDerWaalsContact O-N 3.1Å; W856-M858 VanDerWaalsContact C-N 3.31Å; M858-S860 PolarHBondContact O-N 2.96Å |
| 859 | I | 73.2 | Confident | 82.6 | Confident | 29 Ų | 29 | 70 Ų | 70 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | trans | -75.3 | 94.8 | 177 | -55.3 | 177.7 | 0 | 0 | 0 | 108.8 | I224 I853 I857 N861 L864 L868 | I224-I859 HydrophobicContact CD1-CD1 4.38Å; I853-I859 HydrophobicContact CD1-CD1 4.37Å; I853-I859 HydrophobicContact CG2-CD1 4.04Å; I857-I859 VanDerWaalsContact C-N 3.34Å; I859-N861 VanDerWaalsContact C-N 3.31Å; I859-L864 HydrophobicContact CG2-CB 4.37Å; I859-L864 HydrophobicContact CG2-CD2 4.02Å; I859-L864 HydrophobicContact CG2-CG 4.27Å; I859-L868 HydrophobicContact CD1-CD1 3.82Å | ||
| 860 | S | 71 | Confident | 82.5 | Confident | 123 Ų | 123 | 71.8 Ų | 71.8 | 86% | 0.86 | 38% | 0.375 | S | S | * | . | trans | -74.1 | -20.9 | 178.2 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | M858 E862 | M858-S860 PolarHBondContact O-N 2.96Å; S860-E862 PolarHBondContact O-N 3.11Å | ||
| 861 | N | 81.4 | Confident | 82.4 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | trans | -82.4 | 103.7 | -178.3 | -173 | -14.4 | 0 | 0 | 0 | 110.8 | I859 T863 L864 K865 | I859-N861 VanDerWaalsContact C-N 3.31Å; N861-T863 VanDerWaalsContact C-N 3.28Å; N861-T863 PolarHBondContact O-N 2.92Å; N861-T863 VanDerWaalsContact OD1-CB 3.3Å; N861-T863 WeakPolarHBondContact OD1-CB 3.39Å; N861-T863 PolarHBondContact OD1-N 3.3Å; N861-T863 VanDerWaalsContact OD1-N 3.12Å; N861-L864 HydrophobicContact CB-CB 3.97Å; N861-L864 WeakPolarHBondContact O-CB 3.44Å; N861-L864 PolarHBondContact O-N 3.08Å; N861-L864 PolarHBondContact OD1-N 3.29Å; N861-K865 PolarHBondContact O-N 3.24Å; N861-K865 VanDerWaalsContact O-N 3.08Å | ||
| 862 | E | 85.8 | Confident | 82.4 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.2 | -35.3 | -179.5 | -167.8 | 169.5 | -163.9 | 0 | 0 | 112.7 | S860 L864 K865 N866 | S860-E862 PolarHBondContact O-N 3.11Å; E862-L864 VanDerWaalsContact C-N 3.33Å; E862-L864 PolarHBondContact O-N 3.49Å; E862-K865 PolarHBondContact O-N 3.26Å; E862-N866 WeakPolarHBondContact O-CB 3.4Å; E862-N866 VanDerWaalsContact O-CG 3.32Å; E862-N866 PolarHBondContact O-N 3.31Å; E862-N866 PolarHBondContact O-ND2 3.19Å |
| 863 | T | 88.8 | Confident | 82.6 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.7 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | I234 N861 N866 A867 | I234-T863 HydrophobicContact CD1-CG2 4.46Å; I234-T863 HydrophobicContact CG1-CG2 4.46Å; I234-T863 HydrophobicContact CG2-CG2 4.21Å; N861-T863 VanDerWaalsContact C-N 3.28Å; N861-T863 PolarHBondContact O-N 2.92Å; N861-T863 VanDerWaalsContact OD1-CB 3.3Å; N861-T863 WeakPolarHBondContact OD1-CB 3.39Å; N861-T863 PolarHBondContact OD1-N 3.3Å; N861-T863 VanDerWaalsContact OD1-N 3.12Å; T863-N866 PolarHBondContact O-N 2.88Å; T863-A867 WeakPolarHBondContact O-CB 3.41Å; T863-A867 PolarHBondContact O-N 3.31Å |
| 864 | L | 89.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 5% | 0.047 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 178.9 | -179.3 | 59.1 | 0 | 0 | 0 | 111.6 | I224 I233 I234 I859 N861 E862 N866 A867 L868 | I224-L864 HydrophobicContact CG2-CD2 3.57Å; I224-L864 HydrophobicContact CG2-CG 4.38Å; I233-L864 HydrophobicContact CB-CD1 4.02Å; I233-L864 HydrophobicContact CG2-CD1 3.8Å; I234-L864 HydrophobicContact CD1-CB 4.35Å; I234-L864 HydrophobicContact CD1-CD1 4.42Å; I234-L864 HydrophobicContact CG1-CB 4.47Å; I234-L864 HydrophobicContact CG1-CD1 4.07Å; I859-L864 HydrophobicContact CG2-CB 4.37Å; I859-L864 HydrophobicContact CG2-CD2 4.02Å; I859-L864 HydrophobicContact CG2-CG 4.27Å; N861-L864 HydrophobicContact CB-CB 3.97Å; N861-L864 WeakPolarHBondContact O-CB 3.44Å; N861-L864 PolarHBondContact O-N 3.08Å; N861-L864 PolarHBondContact OD1-N 3.29Å; E862-L864 VanDerWaalsContact C-N 3.33Å; E862-L864 PolarHBondContact O-N 3.49Å; L864-N866 VanDerWaalsContact C-N 3.34Å; L864-N866 PolarHBondContact O-N 3.1Å; L864-A867 PolarHBondContact O-N 3.46Å; L864-L868 HydrophobicContact CG-CD1 4.35Å; L864-L868 VanDerWaalsContact O-CG 3.3Å; L864-L868 WeakPolarHBondContact O-CG 3.37Å; L864-L868 PolarHBondContact O-N 3.15Å |
| 865 | K | 88.4 | Confident | 83.5 | Confident | 95 Ų | 95 | 79.1 Ų | 79.1 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.8 | -169.8 | 176 | -178.6 | 177.2 | 0 | 111.8 | N861 E862 N869 | N861-K865 PolarHBondContact O-N 3.24Å; N861-K865 VanDerWaalsContact O-N 3.08Å; E862-K865 PolarHBondContact O-N 3.26Å; K865-N869 PolarHBondContact O-N 3.16Å; K865-N869 PolarHBondContact O-ND2 3.17Å |
| 866 | N | 90.6 | Very high | 84.4 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 174.9 | -71.3 | -19.7 | 0 | 0 | 0 | 111.4 | E862 T863 L864 L868 N869 T870 | E862-N866 WeakPolarHBondContact O-CB 3.4Å; E862-N866 VanDerWaalsContact O-CG 3.32Å; E862-N866 PolarHBondContact O-N 3.31Å; E862-N866 PolarHBondContact O-ND2 3.19Å; T863-N866 PolarHBondContact O-N 2.88Å; L864-N866 VanDerWaalsContact C-N 3.34Å; L864-N866 PolarHBondContact O-N 3.1Å; N866-L868 PolarHBondContact O-N 3.45Å; N866-N869 PolarHBondContact O-N 3.39Å; N866-T870 PolarHBondContact O-N 3.48Å; N866-T870 PolarHBondContact O-OG1 3Å |
| 867 | A | 91.4 | Very high | 85.4 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 5% | 0.05 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I233 I234 A237 T863 L864 T870 L871 | I233-A867 HydrophobicContact CG2-CB 4.05Å; I234-A867 HydrophobicContact CG1-CB 4.38Å; A237-A867 HydrophobicContact CB-CB 3.46Å; A237-A867 VanDerWaalsContact CB-CB 3.46Å; T863-A867 WeakPolarHBondContact O-CB 3.41Å; T863-A867 PolarHBondContact O-N 3.31Å; L864-A867 PolarHBondContact O-N 3.46Å; A867-T870 PolarHBondContact O-N 2.81Å; A867-L871 WeakPolarHBondContact O-CG 3.3Å; A867-L871 PolarHBondContact O-N 2.98Å |
| 868 | L | 91.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 175.4 | -71.3 | 165.4 | 0 | 0 | 0 | 111.7 | I224 I233 V851 I853 I859 L864 N866 T870 L871 N872 I877 | I224-L868 HydrophobicContact CD1-CD1 3.59Å; I224-L868 HydrophobicContact CD1-CD2 3.74Å; I224-L868 HydrophobicContact CD1-CG 4.25Å; I233-L868 HydrophobicContact CG2-CD2 3.79Å; I233-L868 HydrophobicContact CG2-CG 4.04Å; V851-L868 HydrophobicContact CG1-CD2 4.06Å; I853-L868 HydrophobicContact CD1-CD1 4Å; I853-L868 HydrophobicContact CD1-CD2 4.45Å; I859-L868 HydrophobicContact CD1-CD1 3.82Å; L864-L868 HydrophobicContact CG-CD1 4.35Å; L864-L868 VanDerWaalsContact O-CG 3.3Å; L864-L868 WeakPolarHBondContact O-CG 3.37Å; L864-L868 PolarHBondContact O-N 3.15Å; N866-L868 PolarHBondContact O-N 3.45Å; L868-T870 PolarHBondContact O-N 2.98Å; L868-L871 PolarHBondContact O-N 3.39Å; L868-N872 WeakPolarHBondContact O-CB 3.48Å; L868-N872 PolarHBondContact O-N 3.05Å; L868-I877 HydrophobicContact CB-CD1 4.39Å; L868-I877 HydrophobicContact CD2-CD1 3.78Å; L868-I877 WeakPolarHBondContact O-CD1 3.48Å |
| 869 | N | 90.2 | Very high | 87.7 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 178.5 | -75 | -23.4 | 0 | 0 | 0 | 111.9 | K865 N866 N872 H873 | K865-N869 PolarHBondContact O-N 3.16Å; K865-N869 PolarHBondContact O-ND2 3.17Å; N866-N869 PolarHBondContact O-N 3.39Å; N869-N872 PolarHBondContact O-N 3.29Å; N869-H873 WeakPolarHBondContact O-CB 3.38Å; N869-H873 PolarHBondContact O-N 3.34Å |
| 870 | T | 91 | Very high | 88 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 23% | 0.233 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 178.5 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | L240 N866 A867 L868 H873 H874 | L240-T870 HydrophobicContact CD2-CG2 4.16Å; N866-T870 PolarHBondContact O-N 3.48Å; N866-T870 PolarHBondContact O-OG1 3Å; A867-T870 PolarHBondContact O-N 2.81Å; L868-T870 PolarHBondContact O-N 2.98Å; T870-H873 PolarHBondContact O-N 3Å; T870-H874 PolarHBondContact O-N 3.46Å; T870-H874 PolarHBondContact O-ND1 3.42Å |
| 871 | L | 91.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 179.6 | -71.1 | 166.3 | 0 | 0 | 0 | 112.1 | I233 L236 A237 L240 L251 A867 L868 H874 G875 L876 I877 | I233-L871 HydrophobicContact CD1-CD1 4.49Å; I233-L871 HydrophobicContact CG2-CD1 3.98Å; L236-L871 HydrophobicContact CB-CD1 3.99Å; L236-L871 HydrophobicContact CB-CD2 4.08Å; A237-L871 HydrophobicContact CB-CD1 4.28Å; A237-L871 HydrophobicContact CB-CG 4.23Å; L240-L871 HydrophobicContact CD2-CD2 3.95Å; L251-L871 HydrophobicContact CD2-CD2 4.06Å; A867-L871 WeakPolarHBondContact O-CG 3.3Å; A867-L871 PolarHBondContact O-N 2.98Å; L868-L871 PolarHBondContact O-N 3.39Å; L871-H874 PolarHBondContact O-N 2.9Å; L871-G875 PolarHBondContact O-N 2.92Å; L871-L876 HydrophobicContact CD2-CB 4.26Å; L871-L876 HydrophobicContact CD2-CD1 4.07Å; L871-L876 PolarHBondContact O-N 3.44Å; L871-I877 HydrophobicContact CB-CB 4.43Å; L871-I877 HydrophobicContact CB-CD1 3.94Å; L871-I877 HydrophobicContact CB-CG1 3.84Å; L871-I877 HydrophobicContact CB-CG2 3.85Å; L871-I877 HydrophobicContact CD1-CG2 4.16Å |
| 872 | N | 91.3 | Very high | 89.3 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 178.2 | -170.6 | 47.1 | 0 | 0 | 0 | 111.2 | L868 N869 H874 G875 I877 I879 | L868-N872 WeakPolarHBondContact O-CB 3.48Å; L868-N872 PolarHBondContact O-N 3.05Å; N869-N872 PolarHBondContact O-N 3.29Å; N872-H874 PolarHBondContact O-N 3.47Å; N872-G875 PolarHBondContact O-N 3.4Å; N872-I877 HydrophobicContact CB-CD1 4.08Å; N872-I877 HydrophobicContact CB-CG1 3.9Å; N872-I879 HydrophobicContact CB-CD1 4.33Å |
| 873 | H | 90 | Very high | 89.5 | Confident | 160 Ų | 160 | 57.7 Ų | 57.7 | 74% | 0.741 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61 | -33.2 | 176 | -174.5 | -72 | 0 | 0 | 0 | 112.4 | N869 T870 G875 | N869-H873 WeakPolarHBondContact O-CB 3.38Å; N869-H873 PolarHBondContact O-N 3.34Å; T870-H873 PolarHBondContact O-N 3Å; H873-G875 VanDerWaalsContact C-N 3.3Å |
| 874 | H | 89 | Confident | 89.5 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.7 | 175.9 | -68.3 | 81.3 | 0 | 0 | 0 | 113.5 | L240 T870 L871 N872 L876 | L240-H874 HydrophobicContact CD2-CB 4.14Å; T870-H874 PolarHBondContact O-N 3.46Å; T870-H874 PolarHBondContact O-ND1 3.42Å; L871-H874 PolarHBondContact O-N 2.9Å; N872-H874 PolarHBondContact O-N 3.47Å; H874-L876 HydrophobicContact CB-CD1 3.92Å; H874-L876 HydrophobicContact CB-CG 4.07Å; H874-L876 PolarHBondContact O-N 3.43Å |
| 875 | G | 89.5 | Confident | 89.5 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 22.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L871 N872 H873 | L871-G875 PolarHBondContact O-N 2.92Å; N872-G875 PolarHBondContact O-N 3.4Å; H873-G875 VanDerWaalsContact C-N 3.3Å |
| 876 | L | 90.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | trans | -89.6 | -20 | -177.8 | -68.8 | 169.3 | 0 | 0 | 0 | 113.1 | L240 L251 P848 L849 L871 H874 | L240-L876 HydrophobicContact CD1-CD1 3.81Å; L240-L876 HydrophobicContact CD2-CD1 3.66Å; L240-L876 HydrophobicContact CG-CD1 4.36Å; L251-L876 HydrophobicContact CD2-CD1 4.13Å; P848-L876 WeakPolarHBondContact CA-O 3.04Å; L849-L876 PolarHBondContact N-O 3.19Å; L871-L876 HydrophobicContact CD2-CB 4.26Å; L871-L876 HydrophobicContact CD2-CD1 4.07Å; L871-L876 PolarHBondContact O-N 3.44Å; H874-L876 HydrophobicContact CB-CD1 3.92Å; H874-L876 HydrophobicContact CB-CG 4.07Å; H874-L876 PolarHBondContact O-N 3.43Å | ||
| 877 | I | 92.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.3 | 172.2 | 64.3 | 169.6 | 0 | 0 | 0 | 110.2 | I233 L849 V851 L868 L871 N872 I879 | I233-I877 HydrophobicContact CD1-CG2 4.5Å; L849-I877 HydrophobicContact CB-CG2 4.15Å; L849-I877 CarbonylContact O-C 3.59Å; L849-I877 WeakPolarHBondContact O-CA 3.44Å; L849-I877 WeakPolarHBondContact O-CB 3.4Å; V851-I877 HydrophobicContact CG2-CB 3.98Å; V851-I877 HydrophobicContact CG2-CD1 4.36Å; V851-I877 HydrophobicContact CG2-CG2 4Å; L868-I877 HydrophobicContact CB-CD1 4.39Å; L868-I877 HydrophobicContact CD2-CD1 3.78Å; L868-I877 WeakPolarHBondContact O-CD1 3.48Å; L871-I877 HydrophobicContact CB-CB 4.43Å; L871-I877 HydrophobicContact CB-CD1 3.94Å; L871-I877 HydrophobicContact CB-CG1 3.84Å; L871-I877 HydrophobicContact CB-CG2 3.85Å; L871-I877 HydrophobicContact CD1-CG2 4.16Å; N872-I877 HydrophobicContact CB-CD1 4.08Å; N872-I877 HydrophobicContact CB-CG1 3.9Å; I877-I879 HydrophobicContact CD1-CD1 4.1Å; I877-I879 HydrophobicContact CD1-CG1 4.16Å |
| 878 | T | 90.7 | Very high | 89.4 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.2 | 167.8 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | P848 L849 P850 V851 | P848-T878 HydrophobicContact CB-CG2 4.37Å; P848-T878 HydrophobicContact CG-CG2 4.11Å; L849-T878 PolarHBondContact O-N 3.12Å; P850-T878 CarbonylContact C-O 3.29Å; P850-T878 WeakPolarHBondContact CA-O 3.3Å; P850-T878 HydrophobicContact CB-CG2 4.01Å; V851-T878 PolarHBondContact N-O 3.36Å |
| 879 | I | 85.6 | Confident | 89.2 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.6 | -173.2 | -56.2 | 179.8 | 0 | 0 | 0 | 108.5 | V851 I853 W856 N872 I877 | V851-I879 WeakPolarHBondContact O-CA 3.36Å; I853-I879 HydrophobicContact CB-CG2 4.3Å; I853-I879 HydrophobicContact CD1-CD1 4.38Å; I853-I879 HydrophobicContact CD1-CG2 3.67Å; I853-I879 HydrophobicContact CG1-CG2 3.88Å; W856-I879 HydrophobicContact CH2-CD1 3.13Å; W856-I879 HydrophobicContact CH2-CG1 4.46Å; W856-I879 HydrophobicContact CZ2-CB 4.11Å; W856-I879 HydrophobicContact CZ2-CD1 3.14Å; W856-I879 HydrophobicContact CZ2-CG1 4.13Å; W856-I879 HydrophobicContact CZ2-CG2 3.58Å; W856-I879 HydrophobicContact CZ3-CD1 4.36Å; N872-I879 HydrophobicContact CB-CD1 4.33Å; I877-I879 HydrophobicContact CD1-CD1 4.1Å; I877-I879 HydrophobicContact CD1-CG1 4.16Å |
| 880 | Q | 79.5 | Confident | 89.1 | Confident | 144 Ų | 144 | 62.5 Ų | 62.5 | 67% | 0.673 | 34% | 0.336 | S | S | * | . | trans | -110.8 | 0 | -176.4 | -68 | -172.1 | -38.4 | 0 | 0 | 111.4 | V851 I853 | V851-Q880 PolarHBondContact O-N 3.44Å; I853-Q880 PolarHBondContact N-O 3.31Å; I853-Q880 VanDerWaalsContact N-O 3.09Å |
Retrieved 880 of 880 residues in 224.6 ms
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