| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.9 | Very low | 64.5 | Low | 219 Ų | 219 | 82.2 Ų | 82.2 | 100% | 1.079 | 49% | 0.486 | S | S | * | . | 0 | 117.2 | 0 | -66.8 | -70.2 | -165.5 | 0 | 0 | 107.6 | V3 | M1-V3 PolarHBondContact O-N 2.73Å; M1-V3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | A | 43.2 | Very low | 66 | Low | 95 Ų | 95 | 87.6 Ų | 87.6 | 79% | 0.785 | 50% | 0.503 | S | S | * | . | trans | -68.2 | 109.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S4 | A2-S4 PolarHBondContact O-N 2.92Š| ||
| 3 | V | 50.9 | Low | 67.5 | Low | 50 Ų | 50 | 91.3 Ų | 91.3 | 30% | 0.303 | 51% | 0.513 | S | S | . | . | trans | -56.3 | 129.6 | 169.7 | -165.4 | 0 | 0 | 0 | 0 | 106.9 | M1 L7 R8 | M1-V3 PolarHBondContact O-N 2.73Å; M1-V3 VanDerWaalsContact O-N 3.13Å; V3-L7 HydrophobicContact CG1-CB 3.58Å; V3-L7 HydrophobicContact CG1-CD1 4.21Å; V3-R8 HydrophobicContact CB-CG 3.89Å; V3-R8 HydrophobicContact CG1-CG 4.16Å | ||
| 4 | S | 56.6 | Low | 69.1 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 43% | 0.427 | 48% | 0.476 | S | S | . | . | trans | -56.8 | 144.3 | -177.3 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | A2 P6 L7 R8 | A2-S4 PolarHBondContact O-N 2.92Å; S4-P6 VanDerWaalsContact O-N 3.13Å; S4-L7 PolarHBondContact O-N 3.28Å; S4-R8 PolarHBondContact O-N 3.23Å | ||
| 5 | A | 66.3 | Low | 70.6 | Confident | 80 Ų | 80 | 82.6 Ų | 82.6 | 66% | 0.661 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -49.3 | -38.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | R8 S9 | A5-R8 PolarHBondContact O-N 2.83Å; A5-S9 PolarHBondContact O-N 3.31Å; A5-S9 PolarHBondContact O-OG 3.4Å |
| 6 | P | 68.9 | Low | 72.1 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.5 | -32 | 176.2 | -20.9 | 34.1 | 0 | 0 | 0 | 114.9 | S4 S9 L10 | S4-P6 VanDerWaalsContact O-N 3.13Å; P6-S9 WeakPolarHBondContact CA-OG 3.34Å; P6-S9 PolarHBondContact O-OG 3.38Å; P6-L10 PolarHBondContact O-N 2.77Å |
| 7 | L | 69.9 | Low | 73.3 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 15% | 0.152 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.6 | -36.2 | 177.6 | -80.3 | 178.4 | 0 | 0 | 0 | 111 | V3 S4 L10 E11 L81 | V3-L7 HydrophobicContact CG1-CB 3.58Å; V3-L7 HydrophobicContact CG1-CD1 4.21Å; S4-L7 PolarHBondContact O-N 3.28Å; L7-L10 PolarHBondContact O-N 3.19Å; L7-E11 WeakPolarHBondContact O-CB 2.88Å; L7-E11 VanDerWaalsContact O-CG 3.3Å; L7-E11 WeakPolarHBondContact O-CG 3.33Å; L7-E11 PolarHBondContact O-N 3Å; L7-L81 HydrophobicContact CD2-CD1 4.3Å |
| 8 | R | 71.6 | Confident | 74.3 | Confident | 137 Ų | 137 | 75.4 Ų | 75.4 | 52% | 0.517 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.1 | -71.2 | -173.7 | 170.2 | -179.9 | -3.7 | 112.4 | V3 S4 A5 L10 E11 E12 | V3-R8 HydrophobicContact CB-CG 3.89Å; V3-R8 HydrophobicContact CG1-CG 4.16Å; S4-R8 PolarHBondContact O-N 3.23Å; A5-R8 PolarHBondContact O-N 2.83Å; R8-L10 VanDerWaalsContact C-N 3.26Å; R8-L10 PolarHBondContact O-N 3.29Å; R8-E11 PolarHBondContact O-N 2.87Å; R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.99Å |
| 9 | S | 77.2 | Confident | 75.3 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 176.3 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | A5 P6 E13 | A5-S9 PolarHBondContact O-N 3.31Å; A5-S9 PolarHBondContact O-OG 3.4Å; P6-S9 WeakPolarHBondContact CA-OG 3.34Å; P6-S9 PolarHBondContact O-OG 3.38Å; S9-E13 PolarHBondContact O-N 3.21Å |
| 10 | L | 81.4 | Confident | 76.1 | Confident | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.267 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.7 | -36 | 177.5 | -166.4 | 67.7 | 0 | 0 | 0 | 112.7 | P6 L7 R8 E12 E13 V14 I78 | P6-L10 PolarHBondContact O-N 2.77Å; L7-L10 PolarHBondContact O-N 3.19Å; R8-L10 VanDerWaalsContact C-N 3.26Å; R8-L10 PolarHBondContact O-N 3.29Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E13 PolarHBondContact O-N 3.41Å; L10-V14 PolarHBondContact O-N 2.9Å; L10-I78 HydrophobicContact CD2-CD1 3.95Å; L10-I78 HydrophobicContact CD2-CG1 3.91Å; L10-I78 HydrophobicContact CG-CD1 3.86Å; L10-I78 HydrophobicContact CG-CG1 4.36Å |
| 11 | E | 84.4 | Confident | 76.8 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 15% | 0.145 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 173.9 | -76.6 | 176.6 | -152.2 | 0 | 0 | 111.6 | L7 R8 E13 V14 T15 Y22 I78 K82 | L7-E11 WeakPolarHBondContact O-CB 2.88Å; L7-E11 VanDerWaalsContact O-CG 3.3Å; L7-E11 WeakPolarHBondContact O-CG 3.33Å; L7-E11 PolarHBondContact O-N 3Å; R8-E11 PolarHBondContact O-N 2.87Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3.42Å; E11-V14 WeakPolarHBondContact O-CG2 3.26Å; E11-V14 PolarHBondContact O-N 2.84Å; E11-T15 WeakPolarHBondContact O-CB 3.35Å; E11-T15 PolarHBondContact O-N 3.2Å; E11-T15 PolarHBondContact O-OG1 3.12Å; E11-Y22 HydrophobicContact CB-CE1 4.4Å; E11-Y22 HydrophobicContact CG-CE1 4.21Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; E11-K82 WeakPolarHBondContact OE1-CE 3.26Å; E11-K82 IonicContact OE1-NZ 2.69Å; E11-K82 PolarHBondContact OE1-NZ 3.21Å; E11-K82 IonicContact OE2-NZ 3.61Å; E11-K82 PolarHBondContact OE2-NZ 3.07Å |
| 12 | E | 83 | Confident | 79.3 | Confident | 147 Ų | 147 | 69.3 Ų | 69.3 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 175.2 | -72.4 | 170.9 | -166.3 | 0 | 0 | 111.9 | R8 L10 V14 T15 | R8-E12 WeakPolarHBondContact O-CG 3.44Å; R8-E12 PolarHBondContact O-N 2.99Å; L10-E12 VanDerWaalsContact C-N 3.32Å; E12-V14 VanDerWaalsContact C-N 3.29Å; E12-V14 PolarHBondContact O-N 2.78Å; E12-T15 PolarHBondContact O-N 2.81Å |
| 13 | E | 85.8 | Confident | 81.6 | Confident | 136 Ų | 136 | 65 Ų | 65 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.1 | -26.1 | 177.9 | -73.1 | -177.2 | -162.7 | 0 | 0 | 113.9 | S9 L10 E11 | S9-E13 PolarHBondContact O-N 3.21Å; L10-E13 PolarHBondContact O-N 3.41Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-E13 PolarHBondContact O-N 3.42Å |
| 14 | V | 89.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 11.4 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | L10 E11 E12 Y22 L23 L71 L74 V75 I78 | L10-V14 PolarHBondContact O-N 2.9Å; E11-V14 WeakPolarHBondContact O-CG2 3.26Å; E11-V14 PolarHBondContact O-N 2.84Å; E12-V14 VanDerWaalsContact C-N 3.29Å; E12-V14 PolarHBondContact O-N 2.78Å; V14-Y22 HydrophobicContact CG2-CD1 3.9Å; V14-Y22 HydrophobicContact CG2-CE1 4.03Å; V14-L23 VanDerWaalsContact O-CG 3.28Å; V14-L23 WeakPolarHBondContact O-CG 3.18Å; V14-L23 PolarHBondContact O-N 3.02Å; V14-L71 HydrophobicContact CG1-CD2 4.25Å; V14-L74 HydrophobicContact CG1-CB 3.97Å; V14-V75 HydrophobicContact CB-CG2 3.72Å; V14-V75 HydrophobicContact CG1-CG2 4.29Å; V14-V75 HydrophobicContact CG2-CG2 4.1Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.92Å; V14-I78 HydrophobicContact CG2-CD1 3.43Å; V14-I78 VanDerWaalsContact CG2-CD1 3.43Å |
| 15 | T | 91.5 | Very high | 85.2 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 130.6 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | E11 E12 S17 | E11-T15 WeakPolarHBondContact O-CB 3.35Å; E11-T15 PolarHBondContact O-N 3.2Å; E11-T15 PolarHBondContact O-OG1 3.12Å; E12-T15 PolarHBondContact O-N 2.81Å; T15-S17 PolarHBondContact O-N 3.31Å |
| 16 | C | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -73.6 | 117.4 | 173.7 | -176.9 | 0 | 0 | 0 | 0 | 110 | I18 C19 L20 D21 L23 C36 | C16-I18 PolarHBondContact O-N 3.43Å; C16-C19 VanDerWaalsContact CB-SG 3.52Å; C16-L20 VanDerWaalsContact O-CA 3.24Å; C16-L20 WeakPolarHBondContact O-CA 3.44Å; C16-L20 PolarHBondContact O-N 3.16Å; C16-D21 WeakPolarHBondContact CB-O 3.12Å; C16-D21 PolarHBondContact N-O 3.01Å; C16-L23 HydrophobicContact CB-CD2 3.84Å; C16-L23 HydrophobicContact CB-CG 4.48Å; C16-C36 VanDerWaalsContact CB-SG 3.57Å; C16-C36 VanDerWaalsContact SG-SG 3.66Å | ||
| 17 | S | 92.3 | Very high | 87.6 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -0.8 | 178.2 | 53.4 | 0 | 0 | 0 | 0 | 115.1 | T15 F35 | T15-S17 PolarHBondContact O-N 3.31Å; S17-F35 WeakPolarHBondContact OG-CE1 2.93Å |
| 18 | I | 92.1 | Very high | 88.8 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -54.3 | 174.4 | -61.5 | 167.8 | 0 | 0 | 0 | 111 | C16 F35 C39 I43 P54 | C16-I18 PolarHBondContact O-N 3.43Å; I18-F35 HydrophobicContact CD1-CB 4.06Å; I18-F35 HydrophobicContact CD1-CD1 3.42Å; I18-F35 VanDerWaalsContact CD1-CD1 3.42Å; I18-F35 HydrophobicContact CD1-CE1 3.97Å; I18-F35 HydrophobicContact CD1-CG 3.81Å; I18-F35 HydrophobicContact CG1-CD1 3.63Å; I18-F35 HydrophobicContact CG1-CE1 3.97Å; I18-F35 HydrophobicContact CG1-CG 4.48Å; I18-C39 HydrophobicContact CB-CB 3.83Å; I18-C39 HydrophobicContact CD1-CB 3.68Å; I18-C39 HydrophobicContact CG1-CB 4.35Å; I18-C39 HydrophobicContact CG2-CB 3.81Å; I18-I43 HydrophobicContact CD1-CD1 4.11Å; I18-I43 HydrophobicContact CD1-CG1 4.37Å; I18-P54 HydrophobicContact CD1-CG 4.12Å; I18-P54 HydrophobicContact CG1-CG 4.28Å |
| 19 | C | 93.3 | Very high | 89.9 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 42% | 0.419 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.5 | -179.1 | 66.5 | 0 | 0 | 0 | 0 | 114 | C16 D21 | C16-C19 VanDerWaalsContact CB-SG 3.52Å; C19-D21 PolarHBondContact O-N 3.46Å |
| 20 | L | 90.8 | Very high | 90.6 | Very high | 139 Ų | 139 | 56.2 Ų | 56.2 | 73% | 0.728 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 57.3 | 32.1 | -178.4 | -50.5 | 179.7 | 0 | 0 | 0 | 113.2 | C16 | C16-L20 VanDerWaalsContact O-CA 3.24Å; C16-L20 WeakPolarHBondContact O-CA 3.44Å; C16-L20 PolarHBondContact O-N 3.16Å |
| 21 | D | 91.9 | Very high | 91.2 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -132.1 | 168.4 | 178.7 | -162.2 | -1.2 | 0 | 0 | 0 | 108.9 | C16 C19 | C16-D21 WeakPolarHBondContact CB-O 3.12Å; C16-D21 PolarHBondContact N-O 3.01Å; C19-D21 PolarHBondContact O-N 3.46Å |
| 22 | Y | 90.8 | Very high | 91.7 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -55.3 | 143.6 | 176.8 | -69.7 | -29.5 | 0 | 0 | 0 | 112.3 | E11 V14 R24 V75 I78 E79 K82 | E11-Y22 HydrophobicContact CB-CE1 4.4Å; E11-Y22 HydrophobicContact CG-CE1 4.21Å; V14-Y22 HydrophobicContact CG2-CD1 3.9Å; V14-Y22 HydrophobicContact CG2-CE1 4.03Å; Y22-R24 PolarHBondContact O-N 2.89Å; Y22-R24 VanDerWaalsContact O-N 3.08Å; Y22-V75 HydrophobicContact CD2-CG1 4.01Å; Y22-V75 HydrophobicContact CG-CG1 4.06Å; Y22-I78 VanDerWaalsContact OH-CG2 3.3Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.28Å; Y22-E79 HydrophobicContact CD2-CG 4Å; Y22-E79 HydrophobicContact CE2-CG 3.8Å; Y22-K82 WeakPolarHBondContact OH-CE 3.48Å; Y22-K82 PolarHBondContact OH-NZ 3.02Å |
| 23 | L | 91 | Very high | 92.2 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | trans | -57.9 | 115 | 178.1 | -71.9 | 164.5 | 0 | 0 | 0 | 111.2 | V14 C16 P26 V34 F35 L71 V75 | V14-L23 VanDerWaalsContact O-CG 3.28Å; V14-L23 WeakPolarHBondContact O-CG 3.18Å; V14-L23 PolarHBondContact O-N 3.02Å; C16-L23 HydrophobicContact CB-CD2 3.84Å; C16-L23 HydrophobicContact CB-CG 4.48Å; L23-P26 HydrophobicContact CB-CB 3.97Å; L23-P26 HydrophobicContact CB-CG 4.38Å; L23-P26 HydrophobicContact CD1-CB 4.16Å; L23-P26 HydrophobicContact CD2-CB 4.39Å; L23-P26 HydrophobicContact CG-CB 4.41Å; L23-V34 HydrophobicContact CD1-CG1 3.95Å; L23-V34 HydrophobicContact CD2-CG1 4.1Å; L23-F35 VanDerWaalsContact CD2-C 3.42Å; L23-L71 HydrophobicContact CD1-CB 4.38Å; L23-L71 HydrophobicContact CD1-CD1 4.19Å; L23-V75 HydrophobicContact CB-CG2 4.26Å | ||
| 24 | R | 91.5 | Very high | 92.7 | Very high | 125 Ų | 125 | 47.6 Ų | 47.6 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -103.3 | 120.7 | 169.1 | -60.8 | -58.4 | -177.2 | -158.4 | -5.7 | 108.9 | Y22 C36 E79 | Y22-R24 PolarHBondContact O-N 2.89Å; Y22-R24 VanDerWaalsContact O-N 3.08Å; R24-C36 PolarHBondContact N-SG 2.67Å; R24-C36 WeakPolarHBondContact O-CA 3.48Å; R24-C36 VanDerWaalsContact O-CB 3.26Å; R24-C36 WeakPolarHBondContact O-CB 3.18Å; R24-E79 IonicContact CZ-OE1 3.39Å; R24-E79 VanDerWaalsContact CZ-OE1 3.31Å; R24-E79 IonicContact NH1-OE1 3.3Å; R24-E79 PolarHBondContact NH1-OE1 3.15Å; R24-E79 IonicContact NH1-OE2 3.86Å; R24-E79 PolarHBondContact NH1-OE2 2.9Å; R24-E79 IonicContact NH2-OE1 3.81Å; R24-E79 PolarHBondContact NH2-OE1 3.28Å |
| 25 | D | 91.2 | Very high | 92.9 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 49.9 | 64.2 | -170.9 | -171.8 | 23.1 | 0 | 0 | 0 | 111.6 | V27 R37 | D25-V27 PolarHBondContact O-N 3.25Å; D25-R37 HydrophobicContact CB-CB 4.16Å; D25-R37 PolarHBondContact O-N 3.05Å; D25-R37 IonicContact OD1-NE 4Å; D25-R37 VanDerWaalsContact OD2-CB 3.25Å; D25-R37 WeakPolarHBondContact OD2-CB 3.49Å; D25-R37 WeakPolarHBondContact OD2-CD 3.36Å; D25-R37 IonicContact OD2-CZ 3.75Å; D25-R37 IonicContact OD2-NE 2.67Å; D25-R37 PolarHBondContact OD2-NE 3.34Å; D25-R37 IonicContact OD2-NH2 3.99Å |
| 26 | P | 92.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 130 | -177.3 | 18.1 | -28.7 | 0 | 0 | 0 | 111.9 | L23 V34 F35 P67 V68 L71 A72 | L23-P26 HydrophobicContact CB-CB 3.97Å; L23-P26 HydrophobicContact CB-CG 4.38Å; L23-P26 HydrophobicContact CD1-CB 4.16Å; L23-P26 HydrophobicContact CD2-CB 4.39Å; L23-P26 HydrophobicContact CG-CB 4.41Å; P26-V34 HydrophobicContact CB-CG1 3.73Å; P26-F35 WeakPolarHBondContact CA-O 3.33Å; P26-P67 CarbonylContact O-C 3.58Å; P26-P67 WeakPolarHBondContact O-CA 3.45Å; P26-V68 WeakPolarHBondContact CG-O 3.43Å; P26-V68 PolarHBondContact O-N 3.24Å; P26-L71 HydrophobicContact CB-CB 4.03Å; P26-L71 HydrophobicContact CG-CB 3.89Å; P26-A72 HydrophobicContact CG-CB 3.87Å |
| 27 | V | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.9 | 174 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | D25 V34 F35 R37 T40 I65 R66 | D25-V27 PolarHBondContact O-N 3.25Å; V27-V34 VanDerWaalsContact O-CA 3.29Å; V27-V34 WeakPolarHBondContact O-CA 2.94Å; V27-V34 WeakPolarHBondContact O-CG1 3.28Å; V27-F35 WeakPolarHBondContact CG2-O 3.41Å; V27-F35 PolarHBondContact N-O 3.02Å; V27-F35 PolarHBondContact O-N 3.14Å; V27-R37 HydrophobicContact CG1-CB 4.03Å; V27-T40 HydrophobicContact CG2-CG2 4.3Å; V27-T40 VanDerWaalsContact CG2-OG1 3.27Å; V27-T40 WeakPolarHBondContact CG2-OG1 3.29Å; V27-I65 HydrophobicContact CB-CG2 3.56Å; V27-I65 HydrophobicContact CG1-CG2 3.96Å; V27-I65 HydrophobicContact CG2-CG2 3.67Å; V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.49Å; V27-R66 WeakPolarHBondContact CB-O 3.42Å |
| 28 | T | 95.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 146.1 | 171.1 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | G32 H33 I65 R66 V68 | T28-G32 PolarHBondContact OG1-O 2.81Å; T28-G32 VanDerWaalsContact OG1-O 3.12Å; T28-H33 WeakPolarHBondContact CA-O 3.47Å; T28-I65 WeakPolarHBondContact O-CA 3.46Å; T28-R66 HydrophobicContact CG2-CB 4.12Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.25Å; T28-R66 VanDerWaalsContact O-N 3.07Å; T28-V68 HydrophobicContact CG2-CG2 3.83Å |
| 29 | I | 93.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -109.9 | 174.7 | 174.6 | 59.1 | 164 | 0 | 0 | 0 | 110.7 | C31 G32 H33 F35 T40 C53 F60 I65 | I29-C31 VanDerWaalsContact CD1-SG 3.54Å; I29-C31 PolarHBondContact O-N 2.98Å; I29-G32 PolarHBondContact O-N 3.38Å; I29-H33 WeakPolarHBondContact CG1-O 3.45Å; I29-H33 PolarHBondContact N-O 3.34Å; I29-F35 HydrophobicContact CD1-CE2 3.88Å; I29-F35 HydrophobicContact CG1-CE2 4.23Å; I29-T40 HydrophobicContact CG2-CG2 3.81Å; I29-C53 HydrophobicContact CD1-CB 3.65Å; I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD1 4.46Å; I29-F60 HydrophobicContact CB-CD2 3.83Å; I29-F60 HydrophobicContact CB-CE2 4.29Å; I29-F60 HydrophobicContact CB-CG 3.93Å; I29-F60 HydrophobicContact CD1-CB 4.46Å; I29-F60 HydrophobicContact CD1-CD1 3.62Å; I29-F60 HydrophobicContact CD1-CD2 4.48Å; I29-F60 HydrophobicContact CD1-CE1 3.88Å; I29-F60 HydrophobicContact CD1-CG 3.95Å; I29-F60 HydrophobicContact CD1-CZ 4.42Å; I29-F60 HydrophobicContact CG2-CD2 3.73Å; I29-F60 HydrophobicContact CG2-CE2 3.69Å; I29-F60 HydrophobicContact CG2-CG 4.25Å; I29-F60 HydrophobicContact CG2-CZ 4.16Å; I29-I65 HydrophobicContact CG2-CG1 4.23Å | ||
| 30 | D | 92.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -31.8 | -173.7 | -73.3 | -29.9 | 0 | 0 | 0 | 115.9 | G32 F60 K61 N64 | D30-G32 VanDerWaalsContact C-N 3.34Å; D30-F60 HydrophobicContact CB-CB 3.7Å; D30-F60 WeakPolarHBondContact OD2-CA 3.43Å; D30-F60 WeakPolarHBondContact OD2-CB 3.26Å; D30-K61 PolarHBondContact OD2-N 3.27Å; D30-N64 WeakPolarHBondContact OD1-CB 3.47Å; D30-N64 VanDerWaalsContact OD1-CG 3.27Å; D30-N64 PolarHBondContact OD1-ND2 2.92Å |
| 31 | C | 94.3 | Very high | 93 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.4 | -179.2 | 68.8 | 0 | 0 | 0 | 0 | 114.8 | I29 H33 K58 | I29-C31 VanDerWaalsContact CD1-SG 3.54Å; I29-C31 PolarHBondContact O-N 2.98Å; C31-H33 PolarHBondContact SG-ND1 2.86Å; C31-K58 HydrophobicContact CB-CB 4.15Å; C31-K58 HydrophobicContact CB-CD 4.04Å |
| 32 | G | 93.4 | Very high | 92.9 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 91.6 | -17.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T28 I29 D30 | T28-G32 PolarHBondContact OG1-O 2.81Å; T28-G32 VanDerWaalsContact OG1-O 3.12Å; I29-G32 PolarHBondContact O-N 3.38Å; D30-G32 VanDerWaalsContact C-N 3.34Å |
| 33 | H | 95.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 31% | 0.306 | 24% | 0.235 | S | C | . | . | trans | -64.9 | 146.2 | 177.2 | -67.4 | 110.1 | 0 | 0 | 0 | 112.3 | T28 I29 C31 F35 C53 L55 | T28-H33 WeakPolarHBondContact CA-O 3.47Å; I29-H33 WeakPolarHBondContact CG1-O 3.45Å; I29-H33 PolarHBondContact N-O 3.34Å; C31-H33 PolarHBondContact SG-ND1 2.86Å; H33-F35 HydrophobicContact CB-CE2 3.72Å; H33-F35 HydrophobicContact CB-CZ 3.94Å; H33-C53 PolarHBondContact ND1-SG 3.05Å; H33-C53 VanDerWaalsContact ND1-SG 3.42Å; H33-L55 HydrophobicContact CB-CD1 4.02Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.09Å | ||
| 34 | V | 95.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.8 | -174.7 | -174.6 | 0 | 0 | 0 | 0 | 111 | L23 P26 V27 V68 L71 | L23-V34 HydrophobicContact CD1-CG1 3.95Å; L23-V34 HydrophobicContact CD2-CG1 4.1Å; P26-V34 HydrophobicContact CB-CG1 3.73Å; V27-V34 VanDerWaalsContact O-CA 3.29Å; V27-V34 WeakPolarHBondContact O-CA 2.94Å; V27-V34 WeakPolarHBondContact O-CG1 3.28Å; V34-V68 HydrophobicContact CG2-CG2 4.35Å; V34-L71 HydrophobicContact CB-CD1 4.02Å; V34-L71 HydrophobicContact CG1-CD1 3.65Å; V34-L71 HydrophobicContact CG2-CD1 3.79Å |
| 35 | F | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 170.1 | 176.8 | -50 | -89.4 | 0 | 0 | 0 | 110.1 | S17 I18 L23 P26 V27 I29 H33 P54 L55 | S17-F35 WeakPolarHBondContact OG-CE1 2.93Å; I18-F35 HydrophobicContact CD1-CB 4.06Å; I18-F35 HydrophobicContact CD1-CD1 3.42Å; I18-F35 VanDerWaalsContact CD1-CD1 3.42Å; I18-F35 HydrophobicContact CD1-CE1 3.97Å; I18-F35 HydrophobicContact CD1-CG 3.81Å; I18-F35 HydrophobicContact CG1-CD1 3.63Å; I18-F35 HydrophobicContact CG1-CE1 3.97Å; I18-F35 HydrophobicContact CG1-CG 4.48Å; L23-F35 VanDerWaalsContact CD2-C 3.42Å; P26-F35 WeakPolarHBondContact CA-O 3.33Å; V27-F35 WeakPolarHBondContact CG2-O 3.41Å; V27-F35 PolarHBondContact N-O 3.02Å; V27-F35 PolarHBondContact O-N 3.14Å; I29-F35 HydrophobicContact CD1-CE2 3.88Å; I29-F35 HydrophobicContact CG1-CE2 4.23Å; H33-F35 HydrophobicContact CB-CE2 3.72Å; H33-F35 HydrophobicContact CB-CZ 3.94Å; F35-P54 HydrophobicContact CE1-CB 4.48Å; F35-P54 HydrophobicContact CE1-CG 4.32Å; F35-P54 HydrophobicContact CZ-CG 4.29Å; F35-L55 HydrophobicContact CE1-CD1 4.03Å; F35-L55 HydrophobicContact CE1-CG 4.16Å; F35-L55 HydrophobicContact CZ-CD1 3.85Å; F35-L55 HydrophobicContact CZ-CG 4.02Å |
| 36 | C | 95.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 147.3 | 168.8 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | C16 R24 S38 C39 T40 | C16-C36 VanDerWaalsContact CB-SG 3.57Å; C16-C36 VanDerWaalsContact SG-SG 3.66Å; R24-C36 PolarHBondContact N-SG 2.67Å; R24-C36 WeakPolarHBondContact O-CA 3.48Å; R24-C36 VanDerWaalsContact O-CB 3.26Å; R24-C36 WeakPolarHBondContact O-CB 3.18Å; C36-S38 VanDerWaalsContact C-N 3.29Å; C36-S38 PolarHBondContact O-N 3.03Å; C36-C39 HydrophobicContact CB-CB 4.03Å; C36-C39 PolarHBondContact O-N 2.77Å; C36-T40 PolarHBondContact O-N 3.28Å; C36-T40 PolarHBondContact O-OG1 3.29Å |
| 37 | R | 93.5 | Very high | 89 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.8 | -43.8 | 174.8 | 179.2 | 179.4 | -65.4 | -88.3 | -4.4 | 112.5 | D25 V27 T40 S41 | D25-R37 HydrophobicContact CB-CB 4.16Å; D25-R37 PolarHBondContact O-N 3.05Å; D25-R37 IonicContact OD1-NE 4Å; D25-R37 VanDerWaalsContact OD2-CB 3.25Å; D25-R37 WeakPolarHBondContact OD2-CB 3.49Å; D25-R37 WeakPolarHBondContact OD2-CD 3.36Å; D25-R37 IonicContact OD2-CZ 3.75Å; D25-R37 IonicContact OD2-NE 2.67Å; D25-R37 PolarHBondContact OD2-NE 3.34Å; D25-R37 IonicContact OD2-NH2 3.99Å; V27-R37 HydrophobicContact CG1-CB 4.03Å; R37-T40 PolarHBondContact O-N 3.08Å; R37-S41 WeakPolarHBondContact O-CB 3.4Å; R37-S41 PolarHBondContact O-N 2.98Å; R37-S41 PolarHBondContact O-OG 3.06Å |
| 38 | S | 93.3 | Very high | 87.5 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -53.4 | 176.7 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | C36 T40 S41 D42 | C36-S38 VanDerWaalsContact C-N 3.29Å; C36-S38 PolarHBondContact O-N 3.03Å; S38-T40 VanDerWaalsContact C-N 3.28Å; S38-T40 PolarHBondContact O-N 3.45Å; S38-S41 WeakPolarHBondContact O-CB 3.48Å; S38-S41 PolarHBondContact O-N 3.44Å; S38-D42 PolarHBondContact O-N 3.09Å; S38-D42 VanDerWaalsContact O-N 3.16Å |
| 39 | C | 93.4 | Very high | 86.6 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -38.8 | 178.3 | -61.6 | 0 | 0 | 0 | 0 | 113 | I18 C36 S41 D42 | I18-C39 HydrophobicContact CB-CB 3.83Å; I18-C39 HydrophobicContact CD1-CB 3.68Å; I18-C39 HydrophobicContact CG1-CB 4.35Å; I18-C39 HydrophobicContact CG2-CB 3.81Å; C36-C39 HydrophobicContact CB-CB 4.03Å; C36-C39 PolarHBondContact O-N 2.77Å; C39-S41 VanDerWaalsContact C-N 3.33Å; C39-D42 PolarHBondContact O-N 3.27Å |
| 40 | T | 91.7 | Very high | 86.1 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.4 | -35 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | V27 I29 C36 R37 S38 D42 I43 F60 I65 | V27-T40 HydrophobicContact CG2-CG2 4.3Å; V27-T40 VanDerWaalsContact CG2-OG1 3.27Å; V27-T40 WeakPolarHBondContact CG2-OG1 3.29Å; I29-T40 HydrophobicContact CG2-CG2 3.81Å; C36-T40 PolarHBondContact O-N 3.28Å; C36-T40 PolarHBondContact O-OG1 3.29Å; R37-T40 PolarHBondContact O-N 3.08Å; S38-T40 VanDerWaalsContact C-N 3.28Å; S38-T40 PolarHBondContact O-N 3.45Å; T40-D42 VanDerWaalsContact C-N 3.28Å; T40-D42 PolarHBondContact O-N 3.13Å; T40-I43 HydrophobicContact CG2-CD1 4.37Å; T40-I43 WeakPolarHBondContact O-CB 3.27Å; T40-I43 PolarHBondContact O-N 2.97Å; T40-F60 HydrophobicContact CG2-CE2 4.18Å; T40-F60 HydrophobicContact CG2-CZ 4.29Å; T40-I65 HydrophobicContact CG2-CD1 3.66Å; T40-I65 HydrophobicContact CG2-CG1 4.27Å |
| 41 | S | 88.5 | Confident | 85.9 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.8 | -29.2 | 179.3 | -59 | 0 | 0 | 0 | 0 | 112.6 | R37 S38 C39 I43 R44 | R37-S41 WeakPolarHBondContact O-CB 3.4Å; R37-S41 PolarHBondContact O-N 2.98Å; R37-S41 PolarHBondContact O-OG 3.06Å; S38-S41 WeakPolarHBondContact O-CB 3.48Å; S38-S41 PolarHBondContact O-N 3.44Å; C39-S41 VanDerWaalsContact C-N 3.33Å; S41-I43 VanDerWaalsContact C-N 3.3Å; S41-R44 PolarHBondContact O-NH1 3.31Å |
| 42 | D | 87.8 | Confident | 85.7 | Confident | 110 Ų | 110 | 67.1 Ų | 67.1 | 59% | 0.588 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.5 | 177.8 | -67.2 | -27.6 | 0 | 0 | 0 | 113.5 | S38 C39 T40 R44 | S38-D42 PolarHBondContact O-N 3.09Å; S38-D42 VanDerWaalsContact O-N 3.16Å; C39-D42 PolarHBondContact O-N 3.27Å; T40-D42 VanDerWaalsContact C-N 3.28Å; T40-D42 PolarHBondContact O-N 3.13Å; D42-R44 PolarHBondContact O-N 3.35Å |
| 43 | I | 86.6 | Confident | 85.8 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | trans | -66.5 | 106.9 | 175 | -57.2 | 171.7 | 0 | 0 | 0 | 109.2 | I18 T40 S41 P51 P54 F60 | I18-I43 HydrophobicContact CD1-CD1 4.11Å; I18-I43 HydrophobicContact CD1-CG1 4.37Å; T40-I43 HydrophobicContact CG2-CD1 4.37Å; T40-I43 WeakPolarHBondContact O-CB 3.27Å; T40-I43 PolarHBondContact O-N 2.97Å; S41-I43 VanDerWaalsContact C-N 3.3Å; I43-P51 HydrophobicContact CG2-CB 3.82Å; I43-P54 HydrophobicContact CD1-CG 3.91Å; I43-P54 HydrophobicContact CG1-CG 4.44Å; I43-F60 HydrophobicContact CB-CZ 4.45Å; I43-F60 HydrophobicContact CD1-CE1 4.23Å; I43-F60 HydrophobicContact CD1-CZ 3.92Å; I43-F60 HydrophobicContact CG2-CE1 4.34Å; I43-F60 HydrophobicContact CG2-CZ 4.3Å | ||
| 44 | R | 81.1 | Confident | 85.6 | Confident | 168 Ų | 168 | 63.9 Ų | 63.9 | 63% | 0.634 | 36% | 0.356 | S | S | * | . | trans | -90.1 | 137.8 | 177.5 | -65.7 | -69.6 | -179.2 | -100.8 | 1.4 | 110.7 | S41 D42 | S41-R44 PolarHBondContact O-NH1 3.31Å; D42-R44 PolarHBondContact O-N 3.35Å | ||
| 45 | P | 75.7 | Confident | 85.4 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | trans | -72 | 135.4 | 172.7 | 28 | -31.4 | 0 | 0 | 0 | 111.3 | S47 N49 | P45-S47 PolarHBondContact O-N 3.46Å; P45-N49 WeakPolarHBondContact CB-O 3.48Å | ||
| 46 | I | 67.6 | Low | 85.3 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 70% | 0.697 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -79.7 | 103.3 | 173.4 | -54.1 | 172.5 | 0 | 0 | 0 | 106.2 | ||
| 47 | S | 64.3 | Low | 85.1 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 79% | 0.79 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 47.1 | 170.8 | -44.8 | 0 | 0 | 0 | 0 | 117 | P45 N49 | P45-S47 PolarHBondContact O-N 3.46Å; S47-N49 VanDerWaalsContact C-N 3.27Å; S47-N49 PolarHBondContact O-N 3.26Å |
| 48 | G | 63.6 | Low | 85 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 77% | 0.773 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 1.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 49 | N | 75.9 | Confident | 84.9 | Confident | 126 Ų | 126 | 77 Ų | 77 | 67% | 0.674 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -82.9 | 177.5 | 175 | -84.2 | -25.4 | 0 | 0 | 0 | 113 | P45 S47 | P45-N49 WeakPolarHBondContact CB-O 3.48Å; S47-N49 VanDerWaalsContact C-N 3.27Å; S47-N49 PolarHBondContact O-N 3.26Å |
| 50 | R | 83.8 | Confident | 84.8 | Confident | 144 Ų | 144 | 76.5 Ų | 76.5 | 54% | 0.543 | 42% | 0.417 | S | S | . | . | trans | -62.7 | 142.2 | 170.4 | -68.7 | -176.9 | -172.6 | 164.7 | 7.8 | 110.4 | P59 K61 | R50-P59 HydrophobicContact CB-CB 4.01Å; R50-K61 VanDerWaalsContact CZ-CE 3.41Å | ||
| 51 | P | 88.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 7% | 0.071 | 43% | 0.433 | C | S | . | . | trans | -58.8 | 148.4 | 172.1 | 27.2 | -34.7 | 0 | 0 | 0 | 110.4 | I43 P59 F60 K62 | I43-P51 HydrophobicContact CG2-CB 3.82Å; P51-P59 CarbonylContact O-C 3.6Å; P51-P59 WeakPolarHBondContact O-CA 3.28Å; P51-F60 HydrophobicContact CB-CD1 4.39Å; P51-F60 HydrophobicContact CB-CE1 3.77Å; P51-F60 HydrophobicContact CB-CE2 4.33Å; P51-F60 HydrophobicContact CB-CZ 3.73Å; P51-F60 VanDerWaalsContact CD-O 3.26Å; P51-F60 WeakPolarHBondContact CD-O 3.36Å; P51-F60 HydrophobicContact CG-CD1 4.33Å; P51-F60 HydrophobicContact CG-CD2 4.16Å; P51-F60 HydrophobicContact CG-CE1 4.02Å; P51-F60 HydrophobicContact CG-CE2 3.83Å; P51-F60 HydrophobicContact CG-CG 4.41Å; P51-F60 HydrophobicContact CG-CZ 3.75Å; P51-F60 WeakPolarHBondContact CG-O 3.33Å; P51-F60 VanDerWaalsContact O-CD1 3.26Å; P51-F60 WeakPolarHBondContact O-CD1 3.49Å; P51-F60 PolarHBondContact O-N 3.33Å; P51-K62 HydrophobicContact CG-CG 4.36Å | ||
| 52 | V | 91.3 | Very high | 84.7 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 32% | 0.321 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -112 | 140.4 | -178 | -88.5 | 0 | 0 | 0 | 0 | 110.7 | P54 K57 P59 | V52-P54 WeakPolarHBondContact O-CD 3.46Å; V52-K57 VanDerWaalsContact CG1-O 3.28Å; V52-K57 WeakPolarHBondContact CG1-O 3.15Å; V52-P59 HydrophobicContact CG1-CB 4.22Å |
| 53 | C | 93.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 44% | 0.44 | C | S | . | . | trans | -59.1 | 127.3 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | I29 H33 L55 C56 K57 K58 | I29-C53 HydrophobicContact CD1-CB 3.65Å; H33-C53 PolarHBondContact ND1-SG 3.05Å; H33-C53 VanDerWaalsContact ND1-SG 3.42Å; C53-L55 PolarHBondContact O-N 3.38Å; C53-L55 PolarHBondContact SG-N 3.21Å; C53-L55 VanDerWaalsContact SG-N 3.41Å; C53-C56 VanDerWaalsContact SG-SG 3.68Å; C53-K57 WeakPolarHBondContact O-CA 3.25Å; C53-K57 PolarHBondContact O-N 2.64Å; C53-K58 PolarHBondContact N-O 3.39Å | ||
| 54 | P | 91 | Very high | 84.8 | Confident | 47 Ų | 47 | 86.2 Ų | 86.2 | 31% | 0.305 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.8 | 177.3 | -27.5 | 35.7 | 0 | 0 | 0 | 114 | I18 F35 I43 V52 K57 | I18-P54 HydrophobicContact CD1-CG 4.12Å; I18-P54 HydrophobicContact CG1-CG 4.28Å; F35-P54 HydrophobicContact CE1-CB 4.48Å; F35-P54 HydrophobicContact CE1-CG 4.32Å; F35-P54 HydrophobicContact CZ-CG 4.29Å; I43-P54 HydrophobicContact CD1-CG 3.91Å; I43-P54 HydrophobicContact CG1-CG 4.44Å; V52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-K57 WeakPolarHBondContact O-CE 3.37Å; P54-K57 PolarHBondContact O-NZ 3.32Å |
| 55 | L | 91.6 | Very high | 85.3 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 47% | 0.471 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -57.2 | -176.5 | -67.1 | 172.3 | 0 | 0 | 0 | 113 | H33 F35 C53 | H33-L55 HydrophobicContact CB-CD1 4.02Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.09Å; F35-L55 HydrophobicContact CE1-CD1 4.03Å; F35-L55 HydrophobicContact CE1-CG 4.16Å; F35-L55 HydrophobicContact CZ-CD1 3.85Å; F35-L55 HydrophobicContact CZ-CG 4.02Å; C53-L55 PolarHBondContact O-N 3.38Å; C53-L55 PolarHBondContact SG-N 3.21Å; C53-L55 VanDerWaalsContact SG-N 3.41Å |
| 56 | C | 92.8 | Very high | 86.2 | Confident | 45 Ų | 45 | 85.6 Ų | 85.6 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 0.6 | -174 | 69.3 | 0 | 0 | 0 | 0 | 115 | C53 K58 | C53-C56 VanDerWaalsContact SG-SG 3.68Å; C56-K58 PolarHBondContact O-N 3.28Å |
| 57 | K | 90.9 | Very high | 87.3 | Confident | 146 Ų | 146 | 80.9 Ų | 80.9 | 64% | 0.635 | 42% | 0.422 | S | S | * | . | trans | 60.6 | 9.2 | 179.4 | -45.6 | -57.5 | -178.8 | -167.7 | 0 | 115.3 | V52 C53 P54 | V52-K57 VanDerWaalsContact CG1-O 3.28Å; V52-K57 WeakPolarHBondContact CG1-O 3.15Å; C53-K57 WeakPolarHBondContact O-CA 3.25Å; C53-K57 PolarHBondContact O-N 2.64Å; P54-K57 WeakPolarHBondContact O-CE 3.37Å; P54-K57 PolarHBondContact O-NZ 3.32Å | ||
| 58 | K | 92.5 | Very high | 88.6 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 56% | 0.557 | 39% | 0.393 | S | S | * | . | trans | -70.2 | 137 | 173 | -67.2 | 179.8 | -178.6 | 177.5 | 0 | 110.6 | C31 C53 C56 | C31-K58 HydrophobicContact CB-CB 4.15Å; C31-K58 HydrophobicContact CB-CD 4.04Å; C53-K58 PolarHBondContact N-O 3.39Å; C56-K58 PolarHBondContact O-N 3.28Å | ||
| 59 | P | 90.9 | Very high | 89.6 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 144.8 | 176.1 | 29 | -33.7 | 0 | 0 | 0 | 110.9 | R50 P51 V52 | R50-P59 HydrophobicContact CB-CB 4.01Å; P51-P59 CarbonylContact O-C 3.6Å; P51-P59 WeakPolarHBondContact O-CA 3.28Å; V52-P59 HydrophobicContact CG1-CB 4.22Å |
| 60 | F | 91.4 | Very high | 90 | Very high | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | trans | -135.8 | 159.8 | 176 | 71 | -85.3 | 0 | 0 | 0 | 112.3 | I29 D30 T40 I43 P51 I65 | I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD1 4.46Å; I29-F60 HydrophobicContact CB-CD2 3.83Å; I29-F60 HydrophobicContact CB-CE2 4.29Å; I29-F60 HydrophobicContact CB-CG 3.93Å; I29-F60 HydrophobicContact CD1-CB 4.46Å; I29-F60 HydrophobicContact CD1-CD1 3.62Å; I29-F60 HydrophobicContact CD1-CD2 4.48Å; I29-F60 HydrophobicContact CD1-CE1 3.88Å; I29-F60 HydrophobicContact CD1-CG 3.95Å; I29-F60 HydrophobicContact CD1-CZ 4.42Å; I29-F60 HydrophobicContact CG2-CD2 3.73Å; I29-F60 HydrophobicContact CG2-CE2 3.69Å; I29-F60 HydrophobicContact CG2-CG 4.25Å; I29-F60 HydrophobicContact CG2-CZ 4.16Å; D30-F60 HydrophobicContact CB-CB 3.7Å; D30-F60 WeakPolarHBondContact OD2-CA 3.43Å; D30-F60 WeakPolarHBondContact OD2-CB 3.26Å; T40-F60 HydrophobicContact CG2-CE2 4.18Å; T40-F60 HydrophobicContact CG2-CZ 4.29Å; I43-F60 HydrophobicContact CB-CZ 4.45Å; I43-F60 HydrophobicContact CD1-CE1 4.23Å; I43-F60 HydrophobicContact CD1-CZ 3.92Å; I43-F60 HydrophobicContact CG2-CE1 4.34Å; I43-F60 HydrophobicContact CG2-CZ 4.3Å; P51-F60 HydrophobicContact CB-CD1 4.39Å; P51-F60 HydrophobicContact CB-CE1 3.77Å; P51-F60 HydrophobicContact CB-CE2 4.33Å; P51-F60 HydrophobicContact CB-CZ 3.73Å; P51-F60 VanDerWaalsContact CD-O 3.26Å; P51-F60 WeakPolarHBondContact CD-O 3.36Å; P51-F60 HydrophobicContact CG-CD1 4.33Å; P51-F60 HydrophobicContact CG-CD2 4.16Å; P51-F60 HydrophobicContact CG-CE1 4.02Å; P51-F60 HydrophobicContact CG-CE2 3.83Å; P51-F60 HydrophobicContact CG-CG 4.41Å; P51-F60 HydrophobicContact CG-CZ 3.75Å; P51-F60 WeakPolarHBondContact CG-O 3.33Å; P51-F60 VanDerWaalsContact O-CD1 3.26Å; P51-F60 WeakPolarHBondContact O-CD1 3.49Å; P51-F60 PolarHBondContact O-N 3.33Å; F60-I65 HydrophobicContact CE2-CD1 4.29Å; F60-I65 HydrophobicContact CE2-CG1 4.4Å | ||
| 61 | K | 90 | Very high | 90.2 | Very high | 80 Ų | 80 | 76.2 Ų | 76.2 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | trans | -97.2 | 137.4 | 177.1 | -74.4 | -173.6 | -174.2 | -179.3 | 0 | 110.9 | D30 R50 E63 N64 | D30-K61 PolarHBondContact OD2-N 3.27Å; R50-K61 VanDerWaalsContact CZ-CE 3.41Å; K61-E63 WeakPolarHBondContact CB-OE2 3.08Å; K61-E63 PolarHBondContact O-N 2.81Å; K61-N64 HydrophobicContact CB-CB 4.25Å; K61-N64 PolarHBondContact O-N 3.36Å | ||
| 62 | K | 87.8 | Confident | 89.9 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -65 | -28.3 | 177.3 | -73.9 | -167.7 | 174.6 | -170.7 | 0 | 111.9 | P51 N64 I65 | P51-K62 HydrophobicContact CG-CG 4.36Å; K62-N64 PolarHBondContact O-N 3.28Å; K62-I65 HydrophobicContact CB-CD1 4.29Å; K62-I65 HydrophobicContact CG-CD1 4.41Å; K62-I65 WeakPolarHBondContact O-CB 3.34Å; K62-I65 WeakPolarHBondContact O-CD1 3.41Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 3.39Å; K62-I65 PolarHBondContact O-N 2.82Å |
| 63 | E | 86.1 | Confident | 89.5 | Confident | 154 Ų | 154 | 77.3 Ų | 77.3 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -70.9 | -21.1 | 179.5 | -53.7 | 73.1 | -147.8 | 0 | 0 | 112.4 | K61 | K61-E63 WeakPolarHBondContact CB-OE2 3.08Å; K61-E63 PolarHBondContact O-N 2.81Å |
| 64 | N | 90.3 | Very high | 89.1 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -93.5 | 1.6 | -178.8 | -70.3 | -9.8 | 0 | 0 | 0 | 113.3 | D30 K61 K62 R66 | D30-N64 WeakPolarHBondContact OD1-CB 3.47Å; D30-N64 VanDerWaalsContact OD1-CG 3.27Å; D30-N64 PolarHBondContact OD1-ND2 2.92Å; K61-N64 HydrophobicContact CB-CB 4.25Å; K61-N64 PolarHBondContact O-N 3.36Å; K62-N64 PolarHBondContact O-N 3.28Å; N64-R66 PolarHBondContact O-N 2.93Å |
| 65 | I | 93.1 | Very high | 88.9 | Confident | 40 Ų | 40 | 78.1 Ų | 78.1 | 21% | 0.205 | 38% | 0.379 | C | S | . | . | trans | -65.4 | 121.9 | 175.6 | -61.5 | 172.6 | 0 | 0 | 0 | 108.7 | V27 T28 I29 T40 F60 K62 | V27-I65 HydrophobicContact CB-CG2 3.56Å; V27-I65 HydrophobicContact CG1-CG2 3.96Å; V27-I65 HydrophobicContact CG2-CG2 3.67Å; T28-I65 WeakPolarHBondContact O-CA 3.46Å; I29-I65 HydrophobicContact CG2-CG1 4.23Å; T40-I65 HydrophobicContact CG2-CD1 3.66Å; T40-I65 HydrophobicContact CG2-CG1 4.27Å; F60-I65 HydrophobicContact CE2-CD1 4.29Å; F60-I65 HydrophobicContact CE2-CG1 4.4Å; K62-I65 HydrophobicContact CB-CD1 4.29Å; K62-I65 HydrophobicContact CG-CD1 4.41Å; K62-I65 WeakPolarHBondContact O-CB 3.34Å; K62-I65 WeakPolarHBondContact O-CD1 3.41Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 3.39Å; K62-I65 PolarHBondContact O-N 2.82Å | ||
| 66 | R | 93.9 | Very high | 88.5 | Confident | 169 Ų | 169 | 79.6 Ų | 79.6 | 64% | 0.638 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.1 | -179.5 | -68.1 | 176.6 | -174.3 | -105.1 | -1 | 110.6 | V27 T28 N64 | V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.49Å; V27-R66 WeakPolarHBondContact CB-O 3.42Å; T28-R66 HydrophobicContact CG2-CB 4.12Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.25Å; T28-R66 VanDerWaalsContact O-N 3.07Å; N64-R66 PolarHBondContact O-N 2.93Å |
| 67 | P | 91.2 | Very high | 87.9 | Confident | 36 Ų | 36 | 79.9 Ų | 79.9 | 23% | 0.234 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 155.6 | 173.9 | -6.3 | 21.7 | 0 | 0 | 0 | 111.2 | P26 W69 | P26-P67 CarbonylContact O-C 3.58Å; P26-P67 WeakPolarHBondContact O-CA 3.45Å; P67-W69 HydrophobicContact CB-CD2 4.08Å; P67-W69 HydrophobicContact CB-CE3 4.48Å; P67-W69 HydrophobicContact CB-CH2 3.98Å; P67-W69 HydrophobicContact CB-CZ2 3.56Å; P67-W69 HydrophobicContact CB-CZ3 4.42Å; P67-W69 HydrophobicContact CG-CH2 3.94Å; P67-W69 HydrophobicContact CG-CZ2 3.44Å; P67-W69 VanDerWaalsContact CG-CZ2 3.44Å; P67-W69 WeakPolarHBondContact O-CH2 3.49Å; P67-W69 WeakPolarHBondContact O-CZ3 3.24Å |
| 68 | V | 90.6 | Very high | 87.5 | Confident | 28 Ų | 28 | 73 Ų | 73 | 17% | 0.17 | 35% | 0.352 | C | S | . | . | trans | -127.9 | 76.4 | 173.4 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | P26 T28 V34 Q70 L71 | P26-V68 WeakPolarHBondContact CG-O 3.43Å; P26-V68 PolarHBondContact O-N 3.24Å; T28-V68 HydrophobicContact CG2-CG2 3.83Å; V34-V68 HydrophobicContact CG2-CG2 4.35Å; V68-Q70 PolarHBondContact O-N 2.96Å; V68-Q70 VanDerWaalsContact O-N 3.14Å; V68-L71 HydrophobicContact CB-CD1 4.15Å; V68-L71 HydrophobicContact CG1-CB 4.27Å; V68-L71 HydrophobicContact CG1-CD1 3.72Å; V68-L71 HydrophobicContact CG1-CG 3.87Å; V68-L71 PolarHBondContact O-N 3.33Å | ||
| 69 | W | 85.7 | Confident | 87 | Confident | 171 Ų | 171 | 69.9 Ų | 69.9 | 65% | 0.648 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.9 | -32 | -174 | -46.6 | -103.6 | 0 | 0 | 0 | 113.4 | P67 L71 A72 S73 | P67-W69 HydrophobicContact CB-CD2 4.08Å; P67-W69 HydrophobicContact CB-CE3 4.48Å; P67-W69 HydrophobicContact CB-CH2 3.98Å; P67-W69 HydrophobicContact CB-CZ2 3.56Å; P67-W69 HydrophobicContact CB-CZ3 4.42Å; P67-W69 HydrophobicContact CG-CH2 3.94Å; P67-W69 HydrophobicContact CG-CZ2 3.44Å; P67-W69 VanDerWaalsContact CG-CZ2 3.44Å; P67-W69 WeakPolarHBondContact O-CH2 3.49Å; P67-W69 WeakPolarHBondContact O-CZ3 3.24Å; W69-L71 VanDerWaalsContact C-N 3.27Å; W69-L71 PolarHBondContact O-N 3.43Å; W69-A72 WeakPolarHBondContact O-CB 3.4Å; W69-A72 PolarHBondContact O-N 3.18Å; W69-A72 VanDerWaalsContact O-N 3.13Å; W69-S73 PolarHBondContact O-N 3.09Å |
| 70 | Q | 84.1 | Confident | 86.3 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 61% | 0.607 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -35.8 | 177.6 | -61.9 | 88.8 | -21.2 | 0 | 0 | 112.1 | V68 S73 L74 | V68-Q70 PolarHBondContact O-N 2.96Å; V68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-S73 PolarHBondContact O-N 3.43Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 2.95Å |
| 71 | L | 87.9 | Confident | 85.4 | Confident | 31 Ų | 31 | 75.8 Ų | 75.8 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.7 | -32.3 | 176.7 | -72.9 | 171.1 | 0 | 0 | 0 | 111.9 | V14 L23 P26 V34 V68 W69 S73 L74 V75 | V14-L71 HydrophobicContact CG1-CD2 4.25Å; L23-L71 HydrophobicContact CD1-CB 4.38Å; L23-L71 HydrophobicContact CD1-CD1 4.19Å; P26-L71 HydrophobicContact CB-CB 4.03Å; P26-L71 HydrophobicContact CG-CB 3.89Å; V34-L71 HydrophobicContact CB-CD1 4.02Å; V34-L71 HydrophobicContact CG1-CD1 3.65Å; V34-L71 HydrophobicContact CG2-CD1 3.79Å; V68-L71 HydrophobicContact CB-CD1 4.15Å; V68-L71 HydrophobicContact CG1-CB 4.27Å; V68-L71 HydrophobicContact CG1-CD1 3.72Å; V68-L71 HydrophobicContact CG1-CG 3.87Å; V68-L71 PolarHBondContact O-N 3.33Å; W69-L71 VanDerWaalsContact C-N 3.27Å; W69-L71 PolarHBondContact O-N 3.43Å; L71-S73 VanDerWaalsContact C-N 3.34Å; L71-L74 HydrophobicContact CD2-CD1 3.94Å; L71-L74 PolarHBondContact O-N 3.02Å; L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 2.88Å |
| 72 | A | 82 | Confident | 84.5 | Confident | 30 Ų | 30 | 76.4 Ų | 76.4 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P26 W69 L74 V75 E76 | P26-A72 HydrophobicContact CG-CB 3.87Å; W69-A72 WeakPolarHBondContact O-CB 3.4Å; W69-A72 PolarHBondContact O-N 3.18Å; W69-A72 VanDerWaalsContact O-N 3.13Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-L74 PolarHBondContact O-N 3.13Å; A72-V75 PolarHBondContact O-N 2.79Å; A72-E76 PolarHBondContact O-N 2.81Å; A72-E76 VanDerWaalsContact O-N 3.09Å |
| 73 | S | 81.8 | Confident | 83.4 | Confident | 57 Ų | 57 | 77 Ų | 77 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 174.7 | -175 | 0 | 0 | 0 | 0 | 112.4 | W69 Q70 L71 E76 N77 | W69-S73 PolarHBondContact O-N 3.09Å; Q70-S73 PolarHBondContact O-N 3.43Å; L71-S73 VanDerWaalsContact C-N 3.34Å; S73-E76 PolarHBondContact O-N 3.45Å; S73-N77 WeakPolarHBondContact O-CB 3.5Å; S73-N77 PolarHBondContact O-N 3Å; S73-N77 PolarHBondContact O-ND2 2.92Å; S73-N77 VanDerWaalsContact O-ND2 3.09Å |
| 74 | L | 85.3 | Confident | 81.8 | Confident | 62 Ų | 62 | 73.5 Ų | 73.5 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.5 | -78.5 | 162.8 | 0 | 0 | 0 | 112.3 | V14 Q70 L71 A72 N77 I78 | V14-L74 HydrophobicContact CG1-CB 3.97Å; Q70-L74 WeakPolarHBondContact O-CG 3.47Å; Q70-L74 PolarHBondContact O-N 2.95Å; L71-L74 HydrophobicContact CD2-CD1 3.94Å; L71-L74 PolarHBondContact O-N 3.02Å; A72-L74 VanDerWaalsContact C-N 3.33Å; A72-L74 PolarHBondContact O-N 3.13Å; L74-N77 PolarHBondContact O-N 3.26Å; L74-I78 WeakPolarHBondContact O-CD1 3.44Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.44Å |
| 75 | V | 86.3 | Confident | 79.9 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.8 | -50 | 174.5 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V14 Y22 L23 L71 A72 N77 I78 E79 | V14-V75 HydrophobicContact CB-CG2 3.72Å; V14-V75 HydrophobicContact CG1-CG2 4.29Å; V14-V75 HydrophobicContact CG2-CG2 4.1Å; Y22-V75 HydrophobicContact CD2-CG1 4.01Å; Y22-V75 HydrophobicContact CG-CG1 4.06Å; L23-V75 HydrophobicContact CB-CG2 4.26Å; L71-V75 WeakPolarHBondContact O-CG2 3.26Å; L71-V75 PolarHBondContact O-N 2.88Å; A72-V75 PolarHBondContact O-N 2.79Å; V75-N77 VanDerWaalsContact C-N 3.27Å; V75-N77 PolarHBondContact O-N 3.22Å; V75-I78 PolarHBondContact O-N 3.34Å; V75-E79 HydrophobicContact CG1-CG 4.38Å; V75-E79 WeakPolarHBondContact O-CG 3.41Å; V75-E79 PolarHBondContact O-N 3.42Å |
| 76 | E | 83.7 | Confident | 77.6 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60 | -38.4 | 178.3 | -70.8 | 174.5 | -174.3 | 0 | 0 | 112.1 | A72 S73 R80 | A72-E76 PolarHBondContact O-N 2.81Å; A72-E76 VanDerWaalsContact O-N 3.09Å; S73-E76 PolarHBondContact O-N 3.45Å; E76-R80 WeakPolarHBondContact O-CB 3.42Å; E76-R80 PolarHBondContact O-N 3.39Å |
| 77 | N | 81.4 | Confident | 75.3 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 176.3 | -70 | -29.4 | 0 | 0 | 0 | 112 | S73 L74 V75 R80 L81 | S73-N77 WeakPolarHBondContact O-CB 3.5Å; S73-N77 PolarHBondContact O-N 3Å; S73-N77 PolarHBondContact O-ND2 2.92Å; S73-N77 VanDerWaalsContact O-ND2 3.09Å; L74-N77 PolarHBondContact O-N 3.26Å; V75-N77 VanDerWaalsContact C-N 3.27Å; V75-N77 PolarHBondContact O-N 3.22Å; N77-R80 PolarHBondContact O-N 3.49Å; N77-R80 VanDerWaalsContact OD1-CZ 3.25Å; N77-R80 PolarHBondContact OD1-NH1 2.77Å; N77-R80 PolarHBondContact OD1-NH2 2.98Å; N77-L81 VanDerWaalsContact O-CG 3.3Å; N77-L81 WeakPolarHBondContact O-CG 3.48Å; N77-L81 PolarHBondContact O-N 3.48Å |
| 78 | I | 82.2 | Confident | 72.6 | Confident | 3 Ų | 3 | 83.9 Ų | 83.9 | 2% | 0.015 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.1 | -66.2 | 159.6 | 0 | 0 | 0 | 110.7 | L10 E11 V14 Y22 L74 V75 R80 L81 K82 | L10-I78 HydrophobicContact CD2-CD1 3.95Å; L10-I78 HydrophobicContact CD2-CG1 3.91Å; L10-I78 HydrophobicContact CG-CD1 3.86Å; L10-I78 HydrophobicContact CG-CG1 4.36Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.92Å; V14-I78 HydrophobicContact CG2-CD1 3.43Å; V14-I78 VanDerWaalsContact CG2-CD1 3.43Å; Y22-I78 VanDerWaalsContact OH-CG2 3.3Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.28Å; L74-I78 WeakPolarHBondContact O-CD1 3.44Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 3.44Å; V75-I78 PolarHBondContact O-N 3.34Å; I78-R80 VanDerWaalsContact C-N 3.31Å; I78-R80 PolarHBondContact O-N 3.44Å; I78-L81 PolarHBondContact O-N 3.28Å; I78-K82 PolarHBondContact O-N 3.23Å |
| 79 | E | 80.8 | Confident | 70.4 | Confident | 61 Ų | 61 | 89.1 Ų | 89.1 | 29% | 0.285 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 175.2 | -74.3 | 178.6 | 154 | 0 | 0 | 111.2 | Y22 R24 V75 K82 V83 | Y22-E79 HydrophobicContact CD2-CG 4Å; Y22-E79 HydrophobicContact CE2-CG 3.8Å; R24-E79 IonicContact CZ-OE1 3.39Å; R24-E79 VanDerWaalsContact CZ-OE1 3.31Å; R24-E79 IonicContact NH1-OE1 3.3Å; R24-E79 PolarHBondContact NH1-OE1 3.15Å; R24-E79 IonicContact NH1-OE2 3.86Å; R24-E79 PolarHBondContact NH1-OE2 2.9Å; R24-E79 IonicContact NH2-OE1 3.81Å; R24-E79 PolarHBondContact NH2-OE1 3.28Å; V75-E79 HydrophobicContact CG1-CG 4.38Å; V75-E79 WeakPolarHBondContact O-CG 3.41Å; V75-E79 PolarHBondContact O-N 3.42Å; E79-K82 PolarHBondContact O-N 2.99Å; E79-V83 WeakPolarHBondContact O-CG2 3.2Å; E79-V83 PolarHBondContact O-N 2.9Å |
| 80 | R | 77 | Confident | 68.2 | Low | 130 Ų | 130 | 84.1 Ų | 84.1 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 174 | -173 | 175.5 | 64.2 | -108 | -0.2 | 112.2 | E76 N77 I78 K82 V83 D84 | E76-R80 WeakPolarHBondContact O-CB 3.42Å; E76-R80 PolarHBondContact O-N 3.39Å; N77-R80 PolarHBondContact O-N 3.49Å; N77-R80 VanDerWaalsContact OD1-CZ 3.25Å; N77-R80 PolarHBondContact OD1-NH1 2.77Å; N77-R80 PolarHBondContact OD1-NH2 2.98Å; I78-R80 VanDerWaalsContact C-N 3.31Å; I78-R80 PolarHBondContact O-N 3.44Å; R80-K82 VanDerWaalsContact C-N 3.28Å; R80-K82 PolarHBondContact O-N 2.87Å; R80-V83 PolarHBondContact O-N 3.25Å; R80-V83 VanDerWaalsContact O-N 3.15Å; R80-D84 PolarHBondContact O-N 3.06Å |
| 81 | L | 72.8 | Confident | 65.9 | Low | 75 Ų | 75 | 82.9 Ų | 82.9 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.3 | -33 | 177.7 | -70.1 | 171.3 | 0 | 0 | 0 | 112.7 | L7 N77 I78 D84 N85 | L7-L81 HydrophobicContact CD2-CD1 4.3Å; N77-L81 VanDerWaalsContact O-CG 3.3Å; N77-L81 WeakPolarHBondContact O-CG 3.48Å; N77-L81 PolarHBondContact O-N 3.48Å; I78-L81 PolarHBondContact O-N 3.28Å; L81-D84 PolarHBondContact O-N 3.39Å; L81-N85 WeakPolarHBondContact O-CB 3.47Å; L81-N85 PolarHBondContact O-N 3.42Å |
| 82 | K | 70.4 | Confident | 63.6 | Low | 92 Ų | 92 | 89.1 Ų | 89.1 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 174.1 | -78.7 | -171.9 | 173.1 | 178.6 | 0 | 112.5 | E11 Y22 I78 E79 R80 D84 G86 | E11-K82 WeakPolarHBondContact OE1-CE 3.26Å; E11-K82 IonicContact OE1-NZ 2.69Å; E11-K82 PolarHBondContact OE1-NZ 3.21Å; E11-K82 IonicContact OE2-NZ 3.61Å; E11-K82 PolarHBondContact OE2-NZ 3.07Å; Y22-K82 WeakPolarHBondContact OH-CE 3.48Å; Y22-K82 PolarHBondContact OH-NZ 3.02Å; I78-K82 PolarHBondContact O-N 3.23Å; E79-K82 PolarHBondContact O-N 2.99Å; R80-K82 VanDerWaalsContact C-N 3.28Å; R80-K82 PolarHBondContact O-N 2.87Å; K82-D84 VanDerWaalsContact C-N 3.29Å; K82-G86 PolarHBondContact O-N 2.84Å |
| 83 | V | 64.3 | Low | 61.7 | Low | 111 Ų | 111 | 92.2 Ų | 92.2 | 67% | 0.673 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -37.9 | 174.9 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | E79 R80 | E79-V83 WeakPolarHBondContact O-CG2 3.2Å; E79-V83 PolarHBondContact O-N 2.9Å; R80-V83 PolarHBondContact O-N 3.25Å; R80-V83 VanDerWaalsContact O-N 3.15Å |
| 84 | D | 52.6 | Low | 59.6 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.9 | -36.6 | 178.4 | -69.8 | -27.7 | 0 | 0 | 0 | 112.9 | R80 L81 K82 G86 R87 | R80-D84 PolarHBondContact O-N 3.06Å; L81-D84 PolarHBondContact O-N 3.39Å; K82-D84 VanDerWaalsContact C-N 3.29Å; D84-G86 PolarHBondContact O-N 3.5Å; D84-R87 VanDerWaalsContact O-CB 3.31Å; D84-R87 WeakPolarHBondContact O-CB 3.25Å; D84-R87 PolarHBondContact O-N 3.12Å |
| 85 | N | 51.4 | Low | 57.4 | Low | 102 Ų | 102 | 99.4 Ų | 99.4 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -8.8 | 175.8 | -85.7 | -14.8 | 0 | 0 | 0 | 114.6 | L81 R87 | L81-N85 WeakPolarHBondContact O-CB 3.47Å; L81-N85 PolarHBondContact O-N 3.42Å; N85-R87 PolarHBondContact O-N 2.76Å |
| 86 | G | 44.4 | Very low | 55.5 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 74% | 0.742 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -12.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K82 D84 | K82-G86 PolarHBondContact O-N 2.84Å; D84-G86 PolarHBondContact O-N 3.5Å |
| 87 | R | 44.4 | Very low | 53.8 | Low | 177 Ų | 177 | 103.8 Ų | 103.8 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -91.5 | 131.1 | 171.8 | -59.6 | -175.9 | -178.9 | -170.9 | 2.1 | 109 | D84 N85 | D84-R87 VanDerWaalsContact O-CB 3.31Å; D84-R87 WeakPolarHBondContact O-CB 3.25Å; D84-R87 PolarHBondContact O-N 3.12Å; N85-R87 PolarHBondContact O-N 2.76Å |
| 88 | Q | 34.9 | Very low | 52.6 | Low | 174 Ų | 174 | 108.2 Ų | 108.2 | 81% | 0.813 | 58% | 0.581 | S | S | * | * | trans | -48.7 | 138.9 | -176.2 | -66.7 | 174.2 | -8.6 | 0 | 0 | 111.9 | G90 | Q88-G90 PolarHBondContact O-N 2.7Š| ||
| 89 | P | 44.2 | Very low | 51.8 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 90% | 0.903 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 78.3 | 178.9 | 30.6 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 90 | G | 41.1 | Very low | 51.8 | Low | 65 Ų | 65 | 116.3 Ų | 116.3 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.5 | -7.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q88 L92 | Q88-G90 PolarHBondContact O-N 2.7Å; G90-L92 PolarHBondContact O-N 3.27Å |
| 91 | E | 35.2 | Very low | 52.4 | Low | 104 Ų | 104 | 114.1 Ų | 114.1 | 49% | 0.486 | 62% | 0.616 | S | S | . | * | trans | -101.4 | 84.5 | 175.2 | -61.2 | -170.2 | 160.4 | 0 | 0 | 108.4 | A93 R94 | E91-A93 PolarHBondContact O-N 2.82Å; E91-A93 VanDerWaalsContact O-N 3.13Å; E91-R94 HydrophobicContact CB-CG 4.49Å; E91-R94 IonicContact OE1-CZ 3.06Å; E91-R94 IonicContact OE1-NE 3.02Å; E91-R94 IonicContact OE1-NH1 3.31Å; E91-R94 PolarHBondContact OE1-NH1 3.47Å; E91-R94 IonicContact OE1-NH2 2.7Å; E91-R94 IonicContact OE2-NH1 2.81Å | ||
| 92 | L | 38.4 | Very low | 53.3 | Low | 163 Ų | 163 | 111 Ų | 111 | 85% | 0.853 | 60% | 0.6 | S | S | * | * | trans | -40.1 | 122.4 | 155.2 | -86.6 | 106.4 | 0 | 0 | 0 | 107.4 | G90 R94 | G90-L92 PolarHBondContact O-N 3.27Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.25Å | ||
| 93 | A | 42.9 | Very low | 54.3 | Low | 94 Ų | 94 | 115.6 Ų | 115.6 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | trans | -5.1 | 82.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | E91 E95 | E91-A93 PolarHBondContact O-N 2.82Å; E91-A93 VanDerWaalsContact O-N 3.13Å; A93-E95 PolarHBondContact O-N 3.42Å | ||
| 94 | R | 37.6 | Very low | 55.5 | Low | 132 Ų | 132 | 117.1 Ų | 117.1 | 50% | 0.498 | 62% | 0.616 | S | S | . | * | trans | -70.7 | 84.3 | 169.1 | -77.8 | 177.8 | 165.9 | 179 | 1.4 | 103.8 | E91 L92 P96 Q97 | E91-R94 HydrophobicContact CB-CG 4.49Å; E91-R94 IonicContact OE1-CZ 3.06Å; E91-R94 IonicContact OE1-NE 3.02Å; E91-R94 IonicContact OE1-NH1 3.31Å; E91-R94 PolarHBondContact OE1-NH1 3.47Å; E91-R94 IonicContact OE1-NH2 2.7Å; E91-R94 IonicContact OE2-NH1 2.81Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.25Å; R94-P96 VanDerWaalsContact O-N 3.13Å; R94-Q97 HydrophobicContact CB-CG 4.21Å; R94-Q97 HydrophobicContact CG-CG 4.19Å; R94-Q97 VanDerWaalsContact CZ-OE1 3.26Å | ||
| 95 | E | 40 | Very low | 57.3 | Low | 139 Ų | 139 | 115.6 Ų | 115.6 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | trans | -28.5 | 120.3 | 147 | -79.2 | -71.3 | 130.8 | 0 | 0 | 105.9 | A93 Q97 | A93-E95 PolarHBondContact O-N 3.42Å; E95-Q97 WeakPolarHBondContact O-CA 3.38Å; E95-Q97 PolarHBondContact O-N 3.26Å | ||
| 96 | P | 45.7 | Very low | 59 | Low | 75 Ų | 75 | 116.9 Ų | 116.9 | 49% | 0.487 | 61% | 0.609 | S | S | . | * | trans | -46.8 | 107.4 | -159.8 | 13.3 | -27.4 | 0 | 0 | 0 | 108.4 | R94 D98 M99 | R94-P96 VanDerWaalsContact O-N 3.13Å; P96-D98 PolarHBondContact O-N 2.87Å; P96-M99 HydrophobicContact CB-CG 4.4Å; P96-M99 HydrophobicContact CG-CE 3.63Å; P96-M99 HydrophobicContact CG-CG 3.83Å; P96-M99 PolarHBondContact O-N 2.8Å | ||
| 97 | Q | 48.1 | Very low | 61.1 | Low | 139 Ų | 139 | 118.3 Ų | 118.3 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 5.5 | -165.2 | -101.6 | -178.2 | -19 | 0 | 0 | 113.3 | R94 E95 | R94-Q97 HydrophobicContact CB-CG 4.21Å; R94-Q97 HydrophobicContact CG-CG 4.19Å; R94-Q97 VanDerWaalsContact CZ-OE1 3.26Å; E95-Q97 WeakPolarHBondContact O-CA 3.38Å; E95-Q97 PolarHBondContact O-N 3.26Å |
| 98 | D | 55.8 | Low | 63.2 | Low | 144 Ų | 144 | 114.3 Ų | 114.3 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 24 | 178.4 | -103.9 | -24.6 | 0 | 0 | 0 | 112.8 | P96 K100 | P96-D98 PolarHBondContact O-N 2.87Å; D98-K100 VanDerWaalsContact C-N 3.25Å; D98-K100 PolarHBondContact O-N 2.78Å |
| 99 | M | 64.7 | Low | 65.9 | Low | 96 Ų | 96 | 107.6 Ų | 107.6 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | trans | -67.6 | 87.6 | 166.4 | -78.2 | -95.8 | 174.8 | 0 | 0 | 109.2 | P96 L101 K108 | P96-M99 HydrophobicContact CB-CG 4.4Å; P96-M99 HydrophobicContact CG-CE 3.63Å; P96-M99 HydrophobicContact CG-CG 3.83Å; P96-M99 PolarHBondContact O-N 2.8Å; M99-L101 PolarHBondContact O-N 3.06Å; M99-K108 HydrophobicContact SD-CD 4.26Å | ||
| 100 | K | 81.9 | Confident | 68.1 | Low | 138 Ų | 138 | 105 Ų | 105 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 129.7 | 175.3 | -70.6 | -174.5 | 178.4 | -175.1 | 0 | 110 | D98 L109 L119 | D98-K100 VanDerWaalsContact C-N 3.25Å; D98-K100 PolarHBondContact O-N 2.78Å; K100-L109 HydrophobicContact CB-CD1 3.7Å; K100-L109 WeakPolarHBondContact O-CB 3.16Å; K100-L109 VanDerWaalsContact O-CG 3.28Å; K100-L109 WeakPolarHBondContact O-CG 3.34Å; K100-L109 PolarHBondContact O-N 3.12Å; K100-L119 HydrophobicContact CD-CD1 4.28Å |
| 101 | L | 90 | Very high | 70.6 | Confident | 85 Ų | 85 | 104.3 Ų | 104.3 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -91.2 | 150.4 | 173.3 | -63.6 | 177.2 | 0 | 0 | 0 | 110.2 | M99 E103 K108 | M99-L101 PolarHBondContact O-N 3.06Å; L101-E103 PolarHBondContact O-N 2.7Å; L101-K108 HydrophobicContact CD2-CG 4.2Å |
| 102 | C | 91.6 | Very high | 73.4 | Confident | 10 Ų | 10 | 102.6 Ų | 102.6 | 7% | 0.068 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 121.8 | 170.4 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | R104 H105 Q106 E107 L109 C121 C124 | C102-R104 PolarHBondContact O-N 3.44Å; C102-R104 VanDerWaalsContact O-N 3.13Å; C102-H105 HydrophobicContact CB-CB 4.38Å; C102-H105 PolarHBondContact O-N 3.01Å; C102-Q106 VanDerWaalsContact O-CA 3.3Å; C102-Q106 WeakPolarHBondContact O-CA 3.39Å; C102-Q106 PolarHBondContact O-N 3.22Å; C102-E107 WeakPolarHBondContact CB-O 3.12Å; C102-E107 PolarHBondContact N-O 2.79Å; C102-L109 HydrophobicContact CB-CD2 3.65Å; C102-C121 HydrophobicContact CB-CB 3.8Å; C102-C124 PolarHBondContact SG-SG 3.02Å |
| 103 | E | 90.3 | Very high | 76.1 | Confident | 187 Ų | 187 | 94.8 Ų | 94.8 | 87% | 0.874 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.9 | 179.5 | -62.3 | 178.5 | 172.4 | 0 | 0 | 113.1 | L101 | L101-E103 PolarHBondContact O-N 2.7Š|
| 104 | R | 90.3 | Very high | 78.4 | Confident | 143 Ų | 143 | 95.4 Ų | 95.4 | 54% | 0.54 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -36.8 | -177 | -175.4 | 165.1 | 64.3 | 122 | -11.7 | 114.3 | C102 | C102-R104 PolarHBondContact O-N 3.44Å; C102-R104 VanDerWaalsContact O-N 3.13Å |
| 105 | H | 89.5 | Confident | 81.1 | Confident | 50 Ų | 50 | 93.8 Ų | 93.8 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -9 | -171.3 | -56.2 | 116 | 0 | 0 | 0 | 113.6 | C102 E107 C121 M123 C124 | C102-H105 HydrophobicContact CB-CB 4.38Å; C102-H105 PolarHBondContact O-N 3.01Å; H105-E107 HydrophobicContact CB-CB 4.23Å; H105-E107 HydrophobicContact CB-CG 4.12Å; H105-E107 PolarHBondContact O-N 2.99Å; H105-E107 VanDerWaalsContact O-N 3.12Å; H105-C121 PolarHBondContact ND1-SG 2.92Å; H105-M123 HydrophobicContact CB-CB 4.29Å; H105-C124 PolarHBondContact CE1-SG 2.96Å; H105-C124 PolarHBondContact ND1-SG 3.37Å |
| 106 | Q | 87.9 | Confident | 83.6 | Confident | 128 Ų | 128 | 90.3 Ų | 90.3 | 60% | 0.598 | 43% | 0.429 | S | S | * | . | trans | 56.3 | 22.6 | -172.6 | -63.2 | -67.5 | -28.4 | 0 | 0 | 113.7 | C102 | C102-Q106 VanDerWaalsContact O-CA 3.3Å; C102-Q106 WeakPolarHBondContact O-CA 3.39Å; C102-Q106 PolarHBondContact O-N 3.22Å | ||
| 107 | E | 88.2 | Confident | 85.8 | Confident | 103 Ų | 103 | 88.8 Ų | 88.8 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | trans | -100 | 151.8 | 179.6 | -74.3 | -62.2 | 159.1 | 0 | 0 | 111.6 | C102 H105 C121 | C102-E107 WeakPolarHBondContact CB-O 3.12Å; C102-E107 PolarHBondContact N-O 2.79Å; H105-E107 HydrophobicContact CB-CB 4.23Å; H105-E107 HydrophobicContact CB-CG 4.12Å; H105-E107 PolarHBondContact O-N 2.99Å; H105-E107 VanDerWaalsContact O-N 3.12Å; E107-C121 HydrophobicContact CB-CB 3.54Å | ||
| 108 | K | 88.2 | Confident | 88 | Confident | 92 Ų | 92 | 87.5 Ų | 87.5 | 40% | 0.4 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 136.6 | 178.7 | -69 | -178.1 | -178.8 | -176.3 | 0 | 111.9 | M99 L101 H110 C121 | M99-K108 HydrophobicContact SD-CD 4.26Å; L101-K108 HydrophobicContact CD2-CG 4.2Å; K108-H110 VanDerWaalsContact CB-NE2 3.29Å; K108-H110 WeakPolarHBondContact CB-NE2 3.3Å; K108-H110 PolarHBondContact O-N 3.13Å; K108-C121 WeakPolarHBondContact O-CA 3.28Å; K108-C121 VanDerWaalsContact O-CB 3.28Å; K108-C121 WeakPolarHBondContact O-CB 3.37Å |
| 109 | L | 92.4 | Very high | 89.8 | Confident | 34 Ų | 34 | 84 Ų | 84 | 18% | 0.178 | 40% | 0.401 | C | S | . | . | trans | -82.6 | 96.4 | 177 | -62.8 | 177.4 | 0 | 0 | 0 | 110.9 | K100 C102 L119 L120 C121 | K100-L109 HydrophobicContact CB-CD1 3.7Å; K100-L109 WeakPolarHBondContact O-CB 3.16Å; K100-L109 VanDerWaalsContact O-CG 3.28Å; K100-L109 WeakPolarHBondContact O-CG 3.34Å; K100-L109 PolarHBondContact O-N 3.12Å; C102-L109 HydrophobicContact CB-CD2 3.65Å; L109-L119 HydrophobicContact CB-CB 4.13Å; L109-L119 HydrophobicContact CD1-CB 3.71Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.41Å; L109-L119 HydrophobicContact CG-CB 4.3Å; L109-L120 VanDerWaalsContact CD2-C 3.46Å; L109-C121 HydrophobicContact CD2-CB 4.21Å; L109-C121 VanDerWaalsContact CD2-N 3.34Å | ||
| 110 | H | 90 | Very high | 91.2 | Very high | 83 Ų | 83 | 79.6 Ų | 79.6 | 38% | 0.384 | 38% | 0.379 | S | S | . | . | trans | -99.4 | -18.8 | -178.5 | -71.3 | -64.8 | 0 | 0 | 0 | 114.3 | K108 L120 L137 V138 | K108-H110 VanDerWaalsContact CB-NE2 3.29Å; K108-H110 WeakPolarHBondContact CB-NE2 3.3Å; K108-H110 PolarHBondContact O-N 3.13Å; H110-L120 PolarHBondContact N-O 3.24Å; H110-L120 VanDerWaalsContact N-O 3.13Å; H110-L137 WeakPolarHBondContact O-CA 3.45Å; H110-V138 WeakPolarHBondContact O-CG2 3.49Å; H110-V138 PolarHBondContact O-N 3.2Å | ||
| 111 | Y | 92.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 73 Ų | 73 | 20% | 0.2 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 154.2 | -173.8 | -56.8 | -86.2 | 0 | 0 | 0 | 112.1 | L119 L120 V122 R125 V136 L137 | Y111-L119 CarbonylContact O-C 3.44Å; Y111-L119 WeakPolarHBondContact O-CA 3.45Å; Y111-L120 PolarHBondContact N-O 3.27Å; Y111-L120 PolarHBondContact O-N 2.96Å; Y111-V122 HydrophobicContact CE2-CG2 4.02Å; Y111-R125 HydrophobicContact CD2-CB 4.45Å; Y111-V136 CarbonylContact C-O 3.54Å; Y111-V136 WeakPolarHBondContact CA-O 3.41Å; Y111-L137 HydrophobicContact CD1-CD2 4.11Å; Y111-L137 HydrophobicContact CE1-CD2 3.79Å |
| 112 | Y | 94.2 | Very high | 91.9 | Very high | 68 Ų | 68 | 72.3 Ų | 72.3 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.9 | 170.6 | 174.9 | -101.3 | 0 | 0 | 0 | 108.1 | E114 G117 K118 L119 A135 V136 A141 | Y112-E114 HydrophobicContact CD1-CG 4.16Å; Y112-E114 HydrophobicContact CE1-CG 4.22Å; Y112-G117 VanDerWaalsContact CE2-C 3.49Å; Y112-G117 WeakPolarHBondContact OH-CA 3.19Å; Y112-K118 CarbonylContact C-O 3.44Å; Y112-K118 WeakPolarHBondContact CA-O 3.3Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; Y112-A135 WeakPolarHBondContact O-CA 3.29Å; Y112-V136 HydrophobicContact CD1-CG2 4.45Å; Y112-V136 PolarHBondContact N-O 3.05Å; Y112-V136 PolarHBondContact O-N 3.34Å; Y112-A141 HydrophobicContact CD1-CB 3.79Å; Y112-A141 HydrophobicContact CG-CB 4.05Å |
| 113 | C | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.9 | 172.4 | -167.6 | 0 | 0 | 0 | 0 | 108.9 | D115 D116 G117 K118 L120 H133 | C113-D115 VanDerWaalsContact C-N 3.34Å; C113-D116 HydrophobicContact CB-CB 4.25Å; C113-D116 PolarHBondContact SG-OD2 3.37Å; C113-D116 VanDerWaalsContact SG-OD2 3.35Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.3Å; C113-G117 PolarHBondContact O-N 3.26Å; C113-K118 PolarHBondContact N-O 3.21Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CD2 4.45Å; C113-L120 HydrophobicContact CB-CG 4.15Å; C113-H133 WeakPolarHBondContact SG-CB 2.79Å |
| 114 | E | 92.8 | Very high | 92.1 | Very high | 107 Ų | 107 | 68.7 Ų | 68.7 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -33.1 | -179.9 | -64.9 | -175.2 | 166.5 | 0 | 0 | 111.9 | Y112 T134 V136 | Y112-E114 HydrophobicContact CD1-CG 4.16Å; Y112-E114 HydrophobicContact CE1-CG 4.22Å; E114-T134 PolarHBondContact N-O 3.31Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; E114-V136 HydrophobicContact CG-CG2 4.13Å |
| 115 | D | 93.1 | Very high | 92.2 | Very high | 98 Ų | 98 | 66.1 Ų | 66.1 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -43.5 | -179.7 | -56.4 | -70.2 | 0 | 0 | 0 | 112.9 | C113 H133 T134 | C113-D115 VanDerWaalsContact C-N 3.34Å; D115-H133 HydrophobicContact CB-CB 4.1Å; D115-H133 WeakPolarHBondContact OD2-CA 3.32Å; D115-H133 WeakPolarHBondContact OD2-CB 3.41Å; D115-H133 IonicContact OD2-CD2 3.16Å; D115-H133 IonicContact OD2-CG 3.43Å; D115-T134 PolarHBondContact OD2-N 3.15Å |
| 116 | D | 93.2 | Very high | 92.4 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -12.5 | -176.5 | -64 | -55.3 | 0 | 0 | 0 | 114.2 | C113 K118 H130 H133 | C113-D116 HydrophobicContact CB-CB 4.25Å; C113-D116 PolarHBondContact SG-OD2 3.37Å; C113-D116 VanDerWaalsContact SG-OD2 3.35Å; D116-K118 VanDerWaalsContact C-N 3.27Å; D116-K118 HydrophobicContact CB-CB 4.31Å; D116-K118 HydrophobicContact CB-CD 3.98Å; D116-K118 HydrophobicContact CB-CG 4Å; D116-K118 PolarHBondContact O-N 3.3Å; D116-H130 IonicContact OD2-CE1 3.81Å; D116-H130 PolarHBondContact OD2-CE1 2.96Å; D116-H130 IonicContact OD2-ND1 2.7Å; D116-H130 PolarHBondContact OD2-ND1 3.18Å; D116-H133 IonicContact OD1-CE1 3.99Å; D116-H133 PolarHBondContact OD1-CE1 2.76Å; D116-H133 IonicContact OD1-ND1 3.5Å; D116-H133 IonicContact OD2-CE1 3.91Å; D116-H133 PolarHBondContact OD2-CE1 3.19Å; D116-H133 IonicContact OD2-CG 3.56Å; D116-H133 IonicContact OD2-ND1 3.12Å; D116-H133 PolarHBondContact OD2-ND1 3.41Å |
| 117 | G | 92.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 62.6 Ų | 62.6 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 26 | -173 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y112 C113 | Y112-G117 VanDerWaalsContact CE2-C 3.49Å; Y112-G117 WeakPolarHBondContact OH-CA 3.19Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.3Å; C113-G117 PolarHBondContact O-N 3.26Å |
| 118 | K | 92.7 | Very high | 92.8 | Very high | 113 Ų | 113 | 69.1 Ų | 69.1 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 148.3 | -173.8 | -68.6 | 176 | -171.1 | 167.3 | 0 | 112.8 | Y112 C113 D116 L120 | Y112-K118 CarbonylContact C-O 3.44Å; Y112-K118 WeakPolarHBondContact CA-O 3.3Å; C113-K118 PolarHBondContact N-O 3.21Å; D116-K118 VanDerWaalsContact C-N 3.27Å; D116-K118 HydrophobicContact CB-CB 4.31Å; D116-K118 HydrophobicContact CB-CD 3.98Å; D116-K118 HydrophobicContact CB-CG 4Å; D116-K118 PolarHBondContact O-N 3.3Å; K118-L120 HydrophobicContact CB-CD2 4.14Å |
| 119 | L | 94 | Very high | 92.9 | Very high | 70 Ų | 70 | 70.9 Ų | 70.9 | 37% | 0.366 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.4 | 169.4 | -66.5 | 174.4 | 0 | 0 | 0 | 110 | K100 L109 Y111 Y112 V138 | K100-L119 HydrophobicContact CD-CD1 4.28Å; L109-L119 HydrophobicContact CB-CB 4.13Å; L109-L119 HydrophobicContact CD1-CB 3.71Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.41Å; L109-L119 HydrophobicContact CG-CB 4.3Å; Y111-L119 CarbonylContact O-C 3.44Å; Y111-L119 WeakPolarHBondContact O-CA 3.45Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; L119-V138 HydrophobicContact CD2-CG1 4.2Å; L119-V138 HydrophobicContact CD2-CG2 3.47Å; L119-V138 VanDerWaalsContact CD2-CG2 3.47Å |
| 120 | L | 94 | Very high | 93 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.9 | -176.2 | -46.7 | -178 | 0 | 0 | 0 | 110.9 | L109 H110 Y111 C113 K118 C124 R125 H130 A135 | L109-L120 VanDerWaalsContact CD2-C 3.46Å; H110-L120 PolarHBondContact N-O 3.24Å; H110-L120 VanDerWaalsContact N-O 3.13Å; Y111-L120 PolarHBondContact N-O 3.27Å; Y111-L120 PolarHBondContact O-N 2.96Å; C113-L120 HydrophobicContact CB-CD1 3.85Å; C113-L120 HydrophobicContact CB-CD2 4.45Å; C113-L120 HydrophobicContact CB-CG 4.15Å; K118-L120 HydrophobicContact CB-CD2 4.14Å; L120-C124 HydrophobicContact CB-CB 3.84Å; L120-C124 HydrophobicContact CD2-CB 4.03Å; L120-C124 HydrophobicContact CG-CB 4.43Å; L120-R125 HydrophobicContact CD1-CB 4.4Å; L120-H130 HydrophobicContact CD1-CB 3.71Å; L120-H130 VanDerWaalsContact CD2-CD2 3.48Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.29Å; L120-H130 VanDerWaalsContact CD2-NE2 3.31Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.38Å; L120-A135 HydrophobicContact CD1-CB 4.38Å |
| 121 | C | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -82.3 | 174.6 | 159.3 | 70 | 0 | 0 | 0 | 0 | 110.2 | C102 H105 E107 K108 L109 M123 C124 R125 | C102-C121 HydrophobicContact CB-CB 3.8Å; H105-C121 PolarHBondContact ND1-SG 2.92Å; E107-C121 HydrophobicContact CB-CB 3.54Å; K108-C121 WeakPolarHBondContact O-CA 3.28Å; K108-C121 VanDerWaalsContact O-CB 3.28Å; K108-C121 WeakPolarHBondContact O-CB 3.37Å; L109-C121 HydrophobicContact CD2-CB 4.21Å; L109-C121 VanDerWaalsContact CD2-N 3.34Å; C121-M123 PolarHBondContact O-N 3.32Å; C121-C124 PolarHBondContact O-N 2.9Å; C121-C124 VanDerWaalsContact O-N 3.13Å; C121-C124 PolarHBondContact SG-N 3.31Å; C121-C124 VanDerWaalsContact SG-N 3.44Å; C121-R125 PolarHBondContact O-N 2.76Å | ||
| 122 | V | 92.4 | Very high | 93.1 | Very high | 71 Ų | 71 | 76.5 Ų | 76.5 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -54 | -42.7 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | Y111 R125 E126 | Y111-V122 HydrophobicContact CE2-CG2 4.02Å; V122-R125 PolarHBondContact O-N 3.48Å; V122-E126 PolarHBondContact O-N 3.19Å |
| 123 | M | 93.4 | Very high | 93.2 | Very high | 109 Ų | 109 | 76.1 Ų | 76.1 | 54% | 0.537 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.4 | -37 | 179.7 | -62.7 | -60.2 | -67.9 | 0 | 0 | 113.1 | H105 C121 E126 S127 | H105-M123 HydrophobicContact CB-CB 4.29Å; C121-M123 PolarHBondContact O-N 3.32Å; M123-E126 PolarHBondContact O-N 2.87Å; M123-S127 PolarHBondContact O-N 2.92Å |
| 124 | C | 93.7 | Very high | 93.1 | Very high | 12 Ų | 12 | 79.8 Ų | 79.8 | 8% | 0.081 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 175.5 | -79.2 | 0 | 0 | 0 | 0 | 111.9 | C102 H105 L120 C121 E126 S127 H130 | C102-C124 PolarHBondContact SG-SG 3.02Å; H105-C124 PolarHBondContact CE1-SG 2.96Å; H105-C124 PolarHBondContact ND1-SG 3.37Å; L120-C124 HydrophobicContact CB-CB 3.84Å; L120-C124 HydrophobicContact CD2-CB 4.03Å; L120-C124 HydrophobicContact CG-CB 4.43Å; C121-C124 PolarHBondContact O-N 2.9Å; C121-C124 VanDerWaalsContact O-N 3.13Å; C121-C124 PolarHBondContact SG-N 3.31Å; C121-C124 VanDerWaalsContact SG-N 3.44Å; C124-E126 VanDerWaalsContact C-N 3.28Å; C124-E126 PolarHBondContact O-N 2.83Å; C124-S127 VanDerWaalsContact O-CB 3.25Å; C124-S127 WeakPolarHBondContact O-CB 3.35Å; C124-S127 PolarHBondContact O-N 3.35Å; C124-S127 VanDerWaalsContact O-N 3.15Å; C124-S127 PolarHBondContact O-OG 2.78Å; C124-H130 WeakPolarHBondContact O-CB 3.34Å; C124-H130 PolarHBondContact O-CD2 3.27Å |
| 125 | R | 92.9 | Very high | 93.1 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 176.8 | 177.3 | -179.9 | 176.8 | -100.1 | 6.3 | 112.4 | Y111 L120 C121 V122 S127 R131 A135 | Y111-R125 HydrophobicContact CD2-CB 4.45Å; L120-R125 HydrophobicContact CD1-CB 4.4Å; C121-R125 PolarHBondContact O-N 2.76Å; V122-R125 PolarHBondContact O-N 3.48Å; R125-S127 VanDerWaalsContact C-N 3.32Å; R125-R131 PolarHBondContact O-N 3.24Å; R125-A135 HydrophobicContact CG-CB 4.04Å |
| 126 | E | 92.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 72.3 Ų | 72.3 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -2.8 | 179.4 | -60.4 | -55.3 | 137.1 | 0 | 0 | 113.9 | V122 M123 C124 R131 | V122-E126 PolarHBondContact O-N 3.19Å; M123-E126 PolarHBondContact O-N 2.87Å; C124-E126 VanDerWaalsContact C-N 3.28Å; C124-E126 PolarHBondContact O-N 2.83Å; E126-R131 IonicContact OE2-NH1 3.74Å |
| 127 | S | 92.7 | Very high | 93 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 11% | 0.112 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -65.3 | 154.8 | 179.8 | 86.9 | 0 | 0 | 0 | 0 | 111.1 | M123 C124 R125 E129 H130 R131 | M123-S127 PolarHBondContact O-N 2.92Å; C124-S127 VanDerWaalsContact O-CB 3.25Å; C124-S127 WeakPolarHBondContact O-CB 3.35Å; C124-S127 PolarHBondContact O-N 3.35Å; C124-S127 VanDerWaalsContact O-N 3.15Å; C124-S127 PolarHBondContact O-OG 2.78Å; R125-S127 VanDerWaalsContact C-N 3.32Å; S127-E129 PolarHBondContact O-N 2.89Å; S127-E129 WeakPolarHBondContact OG-CB 3.31Å; S127-E129 PolarHBondContact OG-N 3.38Å; S127-H130 PolarHBondContact O-N 3.38Å; S127-H130 PolarHBondContact OG-N 2.89Å; S127-R131 WeakPolarHBondContact O-CB 3.49Å; S127-R131 PolarHBondContact O-N 3.36Å |
| 128 | R | 91.4 | Very high | 93 | Very high | 240 Ų | 240 | 73.9 Ų | 73.9 | 91% | 0.906 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.4 | 173.9 | -65.9 | -174.7 | -178.6 | -161.2 | 0.8 | 113 | ||
| 129 | E | 91.8 | Very high | 92.7 | Very high | 129 Ų | 129 | 75.6 Ų | 75.6 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -45.7 | -178.7 | -59.7 | 167.3 | 171.5 | 0 | 0 | 111.8 | S127 | S127-E129 PolarHBondContact O-N 2.89Å; S127-E129 WeakPolarHBondContact OG-CB 3.31Å; S127-E129 PolarHBondContact OG-N 3.38Å |
| 130 | H | 93.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 79 Ų | 79 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -10.5 | -174.7 | -62.6 | -67.9 | 0 | 0 | 0 | 114.7 | D116 L120 C124 S127 P132 H133 | D116-H130 IonicContact OD2-CE1 3.81Å; D116-H130 PolarHBondContact OD2-CE1 2.96Å; D116-H130 IonicContact OD2-ND1 2.7Å; D116-H130 PolarHBondContact OD2-ND1 3.18Å; L120-H130 HydrophobicContact CD1-CB 3.71Å; L120-H130 VanDerWaalsContact CD2-CD2 3.48Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.29Å; L120-H130 VanDerWaalsContact CD2-NE2 3.31Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.38Å; C124-H130 WeakPolarHBondContact O-CB 3.34Å; C124-H130 PolarHBondContact O-CD2 3.27Å; S127-H130 PolarHBondContact O-N 3.38Å; S127-H130 PolarHBondContact OG-N 2.89Å; H130-P132 VanDerWaalsContact C-N 3.3Å; H130-H133 AromaticContact ND1-ND1 3.81Å; H130-H133 WeakPolarHBondContact O-CB 3.48Å; H130-H133 PolarHBondContact O-N 3.03Å |
| 131 | R | 91.8 | Very high | 92.3 | Very high | 175 Ų | 175 | 79.5 Ų | 79.5 | 66% | 0.66 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.3 | 175.4 | -174.2 | -179.6 | -174 | 111.3 | 0.2 | 114.3 | R125 E126 S127 H133 | R125-R131 PolarHBondContact O-N 3.24Å; E126-R131 IonicContact OE2-NH1 3.74Å; S127-R131 WeakPolarHBondContact O-CB 3.49Å; S127-R131 PolarHBondContact O-N 3.36Å; R131-H133 VanDerWaalsContact C-N 3.31Å |
| 132 | P | 94.1 | Very high | 92.2 | Very high | 101 Ų | 101 | 80.7 Ų | 80.7 | 66% | 0.656 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.7 | 174.6 | 32.2 | -33.9 | 0 | 0 | 0 | 113.7 | H130 | H130-P132 VanDerWaalsContact C-N 3.3Š|
| 133 | H | 95.7 | Very high | 92.2 | Very high | 60 Ų | 60 | 82.3 Ų | 82.3 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -91.4 | 155.6 | -174.8 | -66.4 | 176.2 | 0 | 0 | 0 | 112.4 | C113 D115 D116 H130 R131 A135 | C113-H133 WeakPolarHBondContact SG-CB 2.79Å; D115-H133 HydrophobicContact CB-CB 4.1Å; D115-H133 WeakPolarHBondContact OD2-CA 3.32Å; D115-H133 WeakPolarHBondContact OD2-CB 3.41Å; D115-H133 IonicContact OD2-CD2 3.16Å; D115-H133 IonicContact OD2-CG 3.43Å; D116-H133 IonicContact OD1-CE1 3.99Å; D116-H133 PolarHBondContact OD1-CE1 2.76Å; D116-H133 IonicContact OD1-ND1 3.5Å; D116-H133 IonicContact OD2-CE1 3.91Å; D116-H133 PolarHBondContact OD2-CE1 3.19Å; D116-H133 IonicContact OD2-CG 3.56Å; D116-H133 IonicContact OD2-ND1 3.12Å; D116-H133 PolarHBondContact OD2-ND1 3.41Å; H130-H133 AromaticContact ND1-ND1 3.81Å; H130-H133 WeakPolarHBondContact O-CB 3.48Å; H130-H133 PolarHBondContact O-N 3.03Å; R131-H133 VanDerWaalsContact C-N 3.31Å; H133-A135 PolarHBondContact O-N 2.92Å |
| 134 | T | 93.1 | Very high | 92.1 | Very high | 76 Ų | 76 | 80 Ų | 80 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | trans | -78.8 | 111.6 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | E114 D115 | E114-T134 PolarHBondContact N-O 3.31Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; D115-T134 PolarHBondContact OD2-N 3.15Å | ||
| 135 | A | 93.7 | Very high | 92 | Very high | 22 Ų | 22 | 84.4 Ų | 84.4 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y112 L120 R125 H133 | Y112-A135 WeakPolarHBondContact O-CA 3.29Å; L120-A135 HydrophobicContact CD1-CB 4.38Å; R125-A135 HydrophobicContact CG-CB 4.04Å; H133-A135 PolarHBondContact O-N 2.92Å |
| 136 | V | 92.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 86.9 Ų | 86.9 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 161.9 | 178.4 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | Y111 Y112 E114 A141 | Y111-V136 CarbonylContact C-O 3.54Å; Y111-V136 WeakPolarHBondContact CA-O 3.41Å; Y112-V136 HydrophobicContact CD1-CG2 4.45Å; Y112-V136 PolarHBondContact N-O 3.05Å; Y112-V136 PolarHBondContact O-N 3.34Å; E114-V136 HydrophobicContact CG-CG2 4.13Å; V136-A141 HydrophobicContact CG2-CB 3.77Å |
| 137 | L | 92.1 | Very high | 92.2 | Very high | 93 Ų | 93 | 88.6 Ų | 88.6 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 138.4 | 173.1 | -69.9 | 171.8 | 0 | 0 | 0 | 110.6 | H110 Y111 E139 K140 A141 | H110-L137 WeakPolarHBondContact O-CA 3.45Å; Y111-L137 HydrophobicContact CD1-CD2 4.11Å; Y111-L137 HydrophobicContact CE1-CD2 3.79Å; L137-E139 PolarHBondContact O-N 2.99Å; L137-K140 HydrophobicContact CB-CB 4.35Å; L137-K140 WeakPolarHBondContact O-CA 3.43Å; L137-K140 WeakPolarHBondContact O-CB 3.31Å; L137-K140 PolarHBondContact O-N 3.34Å; L137-A141 PolarHBondContact O-N 2.75Å |
| 138 | V | 91 | Very high | 92.4 | Very high | 48 Ų | 48 | 94.7 Ų | 94.7 | 29% | 0.291 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -53.8 | -42.5 | -178.4 | 172 | 0 | 0 | 0 | 0 | 111.9 | H110 L119 K140 A141 A142 | H110-V138 WeakPolarHBondContact O-CG2 3.49Å; H110-V138 PolarHBondContact O-N 3.2Å; L119-V138 HydrophobicContact CD2-CG1 4.2Å; L119-V138 HydrophobicContact CD2-CG2 3.47Å; L119-V138 VanDerWaalsContact CD2-CG2 3.47Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 3.13Å; V138-A141 PolarHBondContact O-N 3.34Å; V138-A142 WeakPolarHBondContact O-CB 3.42Å; V138-A142 PolarHBondContact O-N 2.79Å |
| 139 | E | 86.7 | Confident | 92.7 | Very high | 149 Ų | 149 | 88.1 Ų | 88.1 | 70% | 0.696 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 178.4 | -65.7 | -179.6 | 175.1 | 0 | 0 | 111.7 | L137 A142 L143 | L137-E139 PolarHBondContact O-N 2.99Å; E139-A142 PolarHBondContact O-N 2.83Å; E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.39Å |
| 140 | K | 88.9 | Confident | 92.9 | Very high | 141 Ų | 141 | 86.9 Ų | 86.9 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 177.4 | -172.2 | -177 | 178.8 | -173.7 | 0 | 111.3 | L137 V138 A142 L143 P144 | L137-K140 HydrophobicContact CB-CB 4.35Å; L137-K140 WeakPolarHBondContact O-CA 3.43Å; L137-K140 WeakPolarHBondContact O-CB 3.31Å; L137-K140 PolarHBondContact O-N 3.34Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 3.13Å; K140-A142 VanDerWaalsContact C-N 3.28Å; K140-A142 PolarHBondContact O-N 3.48Å; K140-L143 PolarHBondContact O-N 3.37Å; K140-P144 WeakPolarHBondContact O-CD 3.44Å |
| 141 | A | 90.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 90.6 Ų | 90.6 | 12% | 0.124 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61 | -38 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y112 V136 L137 V138 P144 H145 | Y112-A141 HydrophobicContact CD1-CB 3.79Å; Y112-A141 HydrophobicContact CG-CB 4.05Å; V136-A141 HydrophobicContact CG2-CB 3.77Å; L137-A141 PolarHBondContact O-N 2.75Å; V138-A141 PolarHBondContact O-N 3.34Å; A141-P144 WeakPolarHBondContact O-CD 3.43Å; A141-P144 WeakPolarHBondContact O-CG 3.3Å; A141-H145 PolarHBondContact O-CD2 3.22Å; A141-H145 VanDerWaalsContact O-CD2 3.27Å |
| 142 | A | 91.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 87.7 Ų | 87.7 | 21% | 0.207 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -74 | -25.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | V138 E139 K140 H145 R146 | V138-A142 WeakPolarHBondContact O-CB 3.42Å; V138-A142 PolarHBondContact O-N 2.79Å; E139-A142 PolarHBondContact O-N 2.83Å; K140-A142 VanDerWaalsContact C-N 3.28Å; K140-A142 PolarHBondContact O-N 3.48Å; A142-H145 PolarHBondContact O-N 3.24Å; A142-R146 WeakPolarHBondContact O-CB 3.28Å; A142-R146 WeakPolarHBondContact O-CG 3.38Å; A142-R146 PolarHBondContact O-N 3.35Å |
| 143 | L | 91.9 | Very high | 93.5 | Very high | 105 Ų | 105 | 86.3 Ų | 86.3 | 55% | 0.55 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -52.1 | -55.5 | -178.3 | -71.4 | 177 | 0 | 0 | 0 | 114 | E139 K140 H145 R146 E147 | E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.39Å; K140-L143 PolarHBondContact O-N 3.37Å; L143-H145 VanDerWaalsContact C-N 3.28Å; L143-H145 PolarHBondContact O-N 3.5Å; L143-R146 PolarHBondContact O-N 2.96Å; L143-E147 PolarHBondContact O-N 3.25Å |
| 144 | P | 91 | Very high | 93.6 | Very high | 60 Ų | 60 | 87.2 Ų | 87.2 | 39% | 0.39 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -32.5 | -179.3 | 24.3 | -35.6 | 0 | 0 | 0 | 112.9 | K140 A141 K148 | K140-P144 WeakPolarHBondContact O-CD 3.44Å; A141-P144 WeakPolarHBondContact O-CD 3.43Å; A141-P144 WeakPolarHBondContact O-CG 3.3Å; P144-K148 VanDerWaalsContact O-CG 3.31Å; P144-K148 WeakPolarHBondContact O-CG 3.32Å; P144-K148 PolarHBondContact O-N 3.25Å |
| 145 | H | 92.8 | Very high | 93.8 | Very high | 104 Ų | 104 | 86 Ų | 86 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 175.2 | -65 | -71.4 | 0 | 0 | 0 | 111.6 | A141 A142 L143 E147 K148 I149 | A141-H145 PolarHBondContact O-CD2 3.22Å; A141-H145 VanDerWaalsContact O-CD2 3.27Å; A142-H145 PolarHBondContact O-N 3.24Å; L143-H145 VanDerWaalsContact C-N 3.28Å; L143-H145 PolarHBondContact O-N 3.5Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.94Å; H145-K148 PolarHBondContact O-N 2.86Å; H145-I149 VanDerWaalsContact O-CG1 3.27Å; H145-I149 WeakPolarHBondContact O-CG1 3.45Å; H145-I149 PolarHBondContact O-N 2.82Å |
| 146 | R | 95.2 | Very high | 94 | Very high | 141 Ų | 141 | 89.1 Ų | 89.1 | 53% | 0.532 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 174.2 | -75.2 | 176.4 | 177.2 | 148.7 | -1.6 | 111.1 | A142 L143 I149 L150 | A142-R146 WeakPolarHBondContact O-CB 3.28Å; A142-R146 WeakPolarHBondContact O-CG 3.38Å; A142-R146 PolarHBondContact O-N 3.35Å; L143-R146 PolarHBondContact O-N 2.96Å; R146-I149 PolarHBondContact O-N 3.45Å; R146-L150 WeakPolarHBondContact O-CB 3.31Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.37Å; R146-L150 PolarHBondContact O-N 3.24Å |
| 147 | E | 94.9 | Very high | 94.3 | Very high | 123 Ų | 123 | 94.2 Ų | 94.2 | 58% | 0.575 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.6 | -47.1 | 176.5 | -174.3 | 178.5 | -170.4 | 0 | 0 | 112 | L143 H145 I149 L150 N151 | L143-E147 PolarHBondContact O-N 3.25Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.94Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.33Å; E147-L150 PolarHBondContact O-N 3.47Å; E147-N151 WeakPolarHBondContact O-CB 3.26Å; E147-N151 PolarHBondContact O-N 3.37Å; E147-N151 PolarHBondContact O-ND2 2.95Å |
| 148 | K | 96.5 | Very high | 94.6 | Very high | 145 Ų | 145 | 96.8 Ų | 96.8 | 63% | 0.63 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56.8 | -44.3 | 174.2 | -75.1 | 175.2 | -176.9 | 179.1 | 0 | 112 | P144 H145 N151 H152 | P144-K148 VanDerWaalsContact O-CG 3.31Å; P144-K148 WeakPolarHBondContact O-CG 3.32Å; P144-K148 PolarHBondContact O-N 3.25Å; H145-K148 PolarHBondContact O-N 2.86Å; K148-N151 PolarHBondContact O-N 2.73Å; K148-H152 WeakPolarHBondContact O-CB 3.48Å; K148-H152 PolarHBondContact O-N 3.21Å |
| 149 | I | 97.1 | Very high | 95 | Very high | 102 Ų | 102 | 97.4 Ų | 97.4 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 177.7 | -69.5 | 164.9 | 0 | 0 | 0 | 110.6 | H145 R146 E147 N151 H152 L153 | H145-I149 VanDerWaalsContact O-CG1 3.27Å; H145-I149 WeakPolarHBondContact O-CG1 3.45Å; H145-I149 PolarHBondContact O-N 2.82Å; R146-I149 PolarHBondContact O-N 3.45Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.33Å; I149-N151 VanDerWaalsContact C-N 3.35Å; I149-N151 PolarHBondContact O-N 2.97Å; I149-H152 PolarHBondContact O-N 3.15Å; I149-L153 HydrophobicContact CG2-CD1 3.96Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CB 3.45Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.27Å; I149-L153 PolarHBondContact O-N 3.41Å |
| 150 | L | 96.3 | Very high | 95.5 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.9 | -70.5 | 171 | 0 | 0 | 0 | 111.8 | R146 E147 H152 L153 N154 | R146-L150 WeakPolarHBondContact O-CB 3.31Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.37Å; R146-L150 PolarHBondContact O-N 3.24Å; E147-L150 PolarHBondContact O-N 3.47Å; L150-H152 PolarHBondContact O-N 2.97Å; L150-L153 HydrophobicContact CD2-CD1 4.46Å; L150-L153 PolarHBondContact O-N 3.13Å; L150-N154 PolarHBondContact O-N 3.4Å; L150-N154 PolarHBondContact O-ND2 3.11Å |
| 151 | N | 96.4 | Very high | 96 | Very high | 88 Ų | 88 | 93.2 Ų | 93.2 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175 | -73.8 | -24.4 | 0 | 0 | 0 | 112 | E147 K148 I149 N154 T155 | E147-N151 WeakPolarHBondContact O-CB 3.26Å; E147-N151 PolarHBondContact O-N 3.37Å; E147-N151 PolarHBondContact O-ND2 2.95Å; K148-N151 PolarHBondContact O-N 2.73Å; I149-N151 VanDerWaalsContact C-N 3.35Å; I149-N151 PolarHBondContact O-N 2.97Å; N151-N154 PolarHBondContact O-N 3.13Å; N151-T155 PolarHBondContact O-N 3.49Å; N151-T155 VanDerWaalsContact O-N 3.15Å; N151-T155 PolarHBondContact O-OG1 3.45Å |
| 152 | H | 97.5 | Very high | 96.4 | Very high | 115 Ų | 115 | 98 Ų | 98 | 53% | 0.532 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 175.9 | -163.1 | 64.5 | 0 | 0 | 0 | 111.8 | K148 I149 L150 N154 T155 L156 | K148-H152 WeakPolarHBondContact O-CB 3.48Å; K148-H152 PolarHBondContact O-N 3.21Å; I149-H152 PolarHBondContact O-N 3.15Å; L150-H152 PolarHBondContact O-N 2.97Å; H152-N154 VanDerWaalsContact C-N 3.3Å; H152-N154 PolarHBondContact O-N 2.75Å; H152-T155 WeakPolarHBondContact O-CB 3.22Å; H152-T155 PolarHBondContact O-N 3.25Å; H152-L156 WeakPolarHBondContact O-CG 3.37Å; H152-L156 PolarHBondContact O-N 3.41Å |
| 153 | L | 98.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 174 | -76 | 173 | 0 | 0 | 0 | 111.9 | I149 L150 T155 L156 R157 | I149-L153 HydrophobicContact CG2-CD1 3.96Å; I149-L153 HydrophobicContact CG2-CG 4.29Å; I149-L153 WeakPolarHBondContact O-CB 3.45Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.27Å; I149-L153 PolarHBondContact O-N 3.41Å; L150-L153 HydrophobicContact CD2-CD1 4.46Å; L150-L153 PolarHBondContact O-N 3.13Å; L153-T155 VanDerWaalsContact C-N 3.31Å; L153-T155 PolarHBondContact O-N 3.33Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-R157 WeakPolarHBondContact O-CB 3.36Å; L153-R157 WeakPolarHBondContact O-CG 3.47Å; L153-R157 PolarHBondContact O-N 3.45Å |
| 154 | N | 97.3 | Very high | 97 | Very high | 79 Ų | 79 | 101.5 Ų | 101.5 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 175.9 | -72.9 | -24.7 | 0 | 0 | 0 | 112.5 | L150 N151 H152 R158 | L150-N154 PolarHBondContact O-N 3.4Å; L150-N154 PolarHBondContact O-ND2 3.11Å; N151-N154 PolarHBondContact O-N 3.13Å; H152-N154 VanDerWaalsContact C-N 3.3Å; H152-N154 PolarHBondContact O-N 2.75Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-N 2.88Å; N154-R158 PolarHBondContact O-NE 2.69Å |
| 155 | T | 97.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 100.6 Ų | 100.6 | 31% | 0.307 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.3 | -48.9 | 174 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | N151 H152 L153 R157 R158 D159 | N151-T155 PolarHBondContact O-N 3.49Å; N151-T155 VanDerWaalsContact O-N 3.15Å; N151-T155 PolarHBondContact O-OG1 3.45Å; H152-T155 WeakPolarHBondContact O-CB 3.22Å; H152-T155 PolarHBondContact O-N 3.25Å; L153-T155 VanDerWaalsContact C-N 3.31Å; L153-T155 PolarHBondContact O-N 3.33Å; T155-R157 VanDerWaalsContact C-N 3.3Å; T155-R157 PolarHBondContact O-N 3.07Å; T155-R158 WeakPolarHBondContact O-CB 3.44Å; T155-R158 PolarHBondContact O-N 2.8Å; T155-R158 VanDerWaalsContact O-N 3.11Å; T155-R158 PolarHBondContact OG1-NH2 2.98Å; T155-D159 PolarHBondContact O-N 2.89Å |
| 156 | L | 98.4 | Very high | 97.6 | Very high | 87 Ų | 87 | 102.7 Ų | 102.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 178.1 | -68.5 | 177.9 | 0 | 0 | 0 | 112.6 | H152 L153 D159 R160 | H152-L156 WeakPolarHBondContact O-CG 3.37Å; H152-L156 PolarHBondContact O-N 3.41Å; L153-L156 PolarHBondContact O-N 2.87Å; L156-D159 PolarHBondContact O-N 2.96Å; L156-R160 WeakPolarHBondContact O-CB 3.45Å; L156-R160 PolarHBondContact O-N 2.99Å |
| 157 | R | 98.4 | Very high | 97.7 | Very high | 134 Ų | 134 | 102.2 Ų | 102.2 | 51% | 0.506 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 173.5 | -76 | 171.5 | 178 | -179 | -1.9 | 111.4 | L153 T155 D159 R160 D161 | L153-R157 WeakPolarHBondContact O-CB 3.36Å; L153-R157 WeakPolarHBondContact O-CG 3.47Å; L153-R157 PolarHBondContact O-N 3.45Å; T155-R157 VanDerWaalsContact C-N 3.3Å; T155-R157 PolarHBondContact O-N 3.07Å; R157-D159 VanDerWaalsContact C-N 3.32Å; R157-D159 PolarHBondContact O-N 3.37Å; R157-R160 PolarHBondContact O-N 3.5Å; R157-D161 PolarHBondContact O-N 3.4Å; R157-D161 VanDerWaalsContact O-OD1 3.09Å |
| 158 | R | 98.3 | Very high | 97.9 | Very high | 146 Ų | 146 | 99.1 Ų | 99.1 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 176.2 | -73.4 | -179.9 | -68.9 | 159.3 | -1.1 | 112 | N154 T155 D161 K162 | N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-N 2.88Å; N154-R158 PolarHBondContact O-NE 2.69Å; T155-R158 WeakPolarHBondContact O-CB 3.44Å; T155-R158 PolarHBondContact O-N 2.8Å; T155-R158 VanDerWaalsContact O-N 3.11Å; T155-R158 PolarHBondContact OG1-NH2 2.98Å; R158-D161 PolarHBondContact O-N 3.36Å; R158-K162 VanDerWaalsContact O-CG 3.31Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å; R158-K162 PolarHBondContact O-N 3.37Å |
| 159 | D | 98.3 | Very high | 98 | Very high | 62 Ų | 62 | 98.4 Ų | 98.4 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71 | -38.1 | -179.9 | -67.4 | -23.8 | 0 | 0 | 0 | 112.3 | T155 L156 R157 D161 K162 I163 | T155-D159 PolarHBondContact O-N 2.89Å; L156-D159 PolarHBondContact O-N 2.96Å; R157-D159 VanDerWaalsContact C-N 3.32Å; R157-D159 PolarHBondContact O-N 3.37Å; D159-D161 PolarHBondContact O-N 2.92Å; D159-K162 PolarHBondContact O-N 2.87Å; D159-K162 IonicContact OD1-NZ 2.8Å; D159-K162 PolarHBondContact OD1-NZ 3.36Å; D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 2.98Å |
| 160 | R | 98.5 | Very high | 98 | Very high | 123 Ų | 123 | 95 Ų | 95 | 46% | 0.464 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 168.9 | 174.5 | -158 | 57.8 | -159.3 | -9.6 | 111.1 | L156 R157 K162 I163 Q164 | L156-R160 WeakPolarHBondContact O-CB 3.45Å; L156-R160 PolarHBondContact O-N 2.99Å; R157-R160 PolarHBondContact O-N 3.5Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.38Å; R160-I163 PolarHBondContact O-N 2.93Å; R160-I163 VanDerWaalsContact O-N 3.16Å; R160-Q164 WeakPolarHBondContact O-CG 3.1Å; R160-Q164 PolarHBondContact O-N 3.16Å |
| 161 | D | 98.2 | Very high | 98.1 | Very high | 79 Ų | 79 | 96.2 Ų | 96.2 | 42% | 0.422 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | -177.2 | -58 | -10.5 | 0 | 0 | 0 | 110.8 | R157 R158 D159 G165 | R157-D161 PolarHBondContact O-N 3.4Å; R157-D161 VanDerWaalsContact O-OD1 3.09Å; R158-D161 PolarHBondContact O-N 3.36Å; D159-D161 PolarHBondContact O-N 2.92Å; D161-G165 PolarHBondContact O-N 3.42Å |
| 162 | K | 98.5 | Very high | 98.2 | Very high | 114 Ų | 114 | 94.6 Ų | 94.6 | 50% | 0.496 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 170.8 | -72.4 | 171.1 | -167.2 | 160.2 | 0 | 112.2 | R158 D159 R160 Q164 G165 F166 | R158-K162 VanDerWaalsContact O-CG 3.31Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å; R158-K162 PolarHBondContact O-N 3.37Å; D159-K162 PolarHBondContact O-N 2.87Å; D159-K162 IonicContact OD1-NZ 2.8Å; D159-K162 PolarHBondContact OD1-NZ 3.36Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.38Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.45Å; K162-G165 PolarHBondContact O-N 3.36Å; K162-F166 HydrophobicContact CB-CD2 4.45Å; K162-F166 HydrophobicContact CB-CE2 4.31Å; K162-F166 WeakPolarHBondContact O-CD2 3.31Å; K162-F166 PolarHBondContact O-N 2.95Å |
| 163 | I | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 93.7 Ų | 93.7 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 180 | -70.1 | 165.8 | 0 | 0 | 0 | 110.2 | D159 R160 G165 F166 Q167 | D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 2.98Å; R160-I163 PolarHBondContact O-N 2.93Å; R160-I163 VanDerWaalsContact O-N 3.16Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.47Å; I163-F166 PolarHBondContact O-N 3.01Å; I163-Q167 HydrophobicContact CG2-CG 4.43Å; I163-Q167 WeakPolarHBondContact O-CG 3.49Å; I163-Q167 PolarHBondContact O-N 2.87Å |
| 164 | Q | 98.3 | Very high | 98.3 | Very high | 106 Ų | 106 | 95.5 Ų | 95.5 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 174.9 | -72.1 | 177.5 | -31.8 | 0 | 0 | 111.7 | R160 K162 Q167 A168 | R160-Q164 WeakPolarHBondContact O-CG 3.1Å; R160-Q164 PolarHBondContact O-N 3.16Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.45Å; Q164-Q167 PolarHBondContact O-N 3.19Å; Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 3Å |
| 165 | G | 98.4 | Very high | 98.4 | Very high | 42 Ų | 42 | 96.3 Ų | 96.3 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D161 K162 I163 K169 | D161-G165 PolarHBondContact O-N 3.42Å; K162-G165 PolarHBondContact O-N 3.36Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.47Å; G165-K169 WeakPolarHBondContact O-CB 3.39Å; G165-K169 PolarHBondContact O-N 2.85Å |
| 166 | F | 98.3 | Very high | 98.4 | Very high | 148 Ų | 148 | 96.9 Ų | 96.9 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -38.4 | 176.3 | -75.3 | -58.8 | 0 | 0 | 0 | 112.8 | K162 I163 G170 | K162-F166 HydrophobicContact CB-CD2 4.45Å; K162-F166 HydrophobicContact CB-CE2 4.31Å; K162-F166 WeakPolarHBondContact O-CD2 3.31Å; K162-F166 PolarHBondContact O-N 2.95Å; I163-F166 PolarHBondContact O-N 3.01Å; F166-G170 PolarHBondContact O-N 3.36Å |
| 167 | Q | 98.2 | Very high | 98.4 | Very high | 130 Ų | 130 | 95.2 Ų | 95.2 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -51.2 | 175.8 | -77.1 | 179.6 | -27.3 | 0 | 0 | 111.2 | I163 Q164 K169 G170 E171 | I163-Q167 HydrophobicContact CG2-CG 4.43Å; I163-Q167 WeakPolarHBondContact O-CG 3.49Å; I163-Q167 PolarHBondContact O-N 2.87Å; Q164-Q167 PolarHBondContact O-N 3.19Å; Q167-K169 VanDerWaalsContact C-N 3.3Å; Q167-K169 PolarHBondContact O-N 3.22Å; Q167-G170 PolarHBondContact O-N 3.46Å; Q167-E171 WeakPolarHBondContact O-CB 3.48Å; Q167-E171 PolarHBondContact O-N 2.87Å |
| 168 | A | 98.2 | Very high | 98.4 | Very high | 59 Ų | 59 | 93.4 Ų | 93.4 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q164 A172 | Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 3Å; A168-A172 WeakPolarHBondContact O-CB 3.22Å; A168-A172 PolarHBondContact O-N 3.23Å |
| 169 | K | 98.5 | Very high | 98.4 | Very high | 130 Ų | 130 | 90 Ų | 90 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -47.5 | 175.5 | -175.8 | 178.2 | 177.8 | -178 | 0 | 112 | G165 Q167 E171 A172 D173 | G165-K169 WeakPolarHBondContact O-CB 3.39Å; G165-K169 PolarHBondContact O-N 2.85Å; Q167-K169 VanDerWaalsContact C-N 3.3Å; Q167-K169 PolarHBondContact O-N 3.22Å; K169-E171 VanDerWaalsContact C-N 3.31Å; K169-E171 PolarHBondContact O-N 2.94Å; K169-A172 PolarHBondContact O-N 3.03Å; K169-D173 WeakPolarHBondContact O-CB 3.4Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 3.23Å |
| 170 | G | 98.4 | Very high | 98.4 | Very high | 29 Ų | 29 | 93.3 Ų | 93.3 | 30% | 0.299 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F166 Q167 D173 I174 | F166-G170 PolarHBondContact O-N 3.36Å; Q167-G170 PolarHBondContact O-N 3.46Å; G170-D173 PolarHBondContact O-N 2.97Å; G170-I174 WeakPolarHBondContact O-CB 3.42Å; G170-I174 WeakPolarHBondContact O-CD1 3.46Å; G170-I174 VanDerWaalsContact O-CG1 3.22Å; G170-I174 WeakPolarHBondContact O-CG1 3.44Å; G170-I174 PolarHBondContact O-N 3.45Å |
| 171 | E | 98.4 | Very high | 98.4 | Very high | 129 Ų | 129 | 91.9 Ų | 91.9 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -46.6 | 174.1 | -175.1 | 172.1 | -169.1 | 0 | 0 | 111.8 | Q167 K169 D173 I174 L175 | Q167-E171 WeakPolarHBondContact O-CB 3.48Å; Q167-E171 PolarHBondContact O-N 2.87Å; K169-E171 VanDerWaalsContact C-N 3.31Å; K169-E171 PolarHBondContact O-N 2.94Å; E171-D173 PolarHBondContact O-N 3.1Å; E171-I174 PolarHBondContact O-N 3.37Å; E171-L175 HydrophobicContact CG-CD1 4.2Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å |
| 172 | A | 98.5 | Very high | 98.5 | Very high | 55 Ų | 55 | 93.6 Ų | 93.6 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A168 K169 L175 A176 | A168-A172 WeakPolarHBondContact O-CB 3.22Å; A168-A172 PolarHBondContact O-N 3.23Å; K169-A172 PolarHBondContact O-N 3.03Å; A172-L175 PolarHBondContact O-N 3.42Å; A172-A176 WeakPolarHBondContact O-CB 3.47Å; A172-A176 PolarHBondContact O-N 2.9Å |
| 173 | D | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 93.7 Ų | 93.7 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 177.8 | -71.6 | -20.1 | 0 | 0 | 0 | 111.3 | K169 G170 E171 A177 | K169-D173 WeakPolarHBondContact O-CB 3.4Å; K169-D173 VanDerWaalsContact O-CG 3.28Å; K169-D173 PolarHBondContact O-N 3.23Å; G170-D173 PolarHBondContact O-N 2.97Å; E171-D173 PolarHBondContact O-N 3.1Å; D173-A177 WeakPolarHBondContact O-CB 3.36Å; D173-A177 PolarHBondContact O-N 3.23Å |
| 174 | I | 98.5 | Very high | 98.5 | Very high | 109 Ų | 109 | 93.7 Ų | 93.7 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -46.7 | 175.9 | -71.3 | 166.1 | 0 | 0 | 0 | 110.8 | G170 E171 A176 A177 L178 | G170-I174 WeakPolarHBondContact O-CB 3.42Å; G170-I174 WeakPolarHBondContact O-CD1 3.46Å; G170-I174 VanDerWaalsContact O-CG1 3.22Å; G170-I174 WeakPolarHBondContact O-CG1 3.44Å; G170-I174 PolarHBondContact O-N 3.45Å; E171-I174 PolarHBondContact O-N 3.37Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.3Å; I174-A177 PolarHBondContact O-N 3Å; I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.39Å; I174-L178 WeakPolarHBondContact O-CG 3.33Å; I174-L178 PolarHBondContact O-N 3.46Å |
| 175 | L | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 178.6 | -71.8 | 172.7 | 0 | 0 | 0 | 111.3 | E171 A172 A177 L178 T179 | E171-L175 HydrophobicContact CG-CD1 4.2Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å; A172-L175 PolarHBondContact O-N 3.42Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.44Å; L175-L178 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-OG1 2.9Å; L175-T179 VanDerWaalsContact O-OG1 3.1Å |
| 176 | A | 98.6 | Very high | 98.5 | Very high | 62 Ų | 62 | 101.2 Ų | 101.2 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A172 I174 T179 K180 | A172-A176 WeakPolarHBondContact O-CB 3.47Å; A172-A176 PolarHBondContact O-N 2.9Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.3Å; A176-T179 PolarHBondContact O-N 3.06Å; A176-K180 PolarHBondContact O-N 3.43Å |
| 177 | A | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 101.1 Ų | 101.1 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D173 I174 L175 K180 L181 | D173-A177 WeakPolarHBondContact O-CB 3.36Å; D173-A177 PolarHBondContact O-N 3.23Å; I174-A177 PolarHBondContact O-N 3Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-A177 PolarHBondContact O-N 3.44Å; A177-K180 PolarHBondContact O-N 3.36Å; A177-L181 WeakPolarHBondContact O-CG 3.47Å; A177-L181 PolarHBondContact O-N 3.07Å |
| 178 | L | 98.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 99.4 Ų | 99.4 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.2 | -72.7 | 171.9 | 0 | 0 | 0 | 112 | I174 L175 K180 L181 Q182 | I174-L178 HydrophobicContact CG2-CD1 3.98Å; I174-L178 HydrophobicContact CG2-CG 4.39Å; I174-L178 WeakPolarHBondContact O-CG 3.33Å; I174-L178 PolarHBondContact O-N 3.46Å; L175-L178 PolarHBondContact O-N 2.92Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.92Å; L178-L181 PolarHBondContact O-N 2.96Å; L178-Q182 PolarHBondContact O-N 3.41Å |
| 179 | T | 98.6 | Very high | 98.5 | Very high | 75 Ų | 75 | 101.3 Ų | 101.3 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 174.5 | -58.9 | 0 | 0 | 0 | 0 | 111 | L175 A176 L181 Q182 E183 | L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 PolarHBondContact O-OG1 2.9Å; L175-T179 VanDerWaalsContact O-OG1 3.1Å; A176-T179 PolarHBondContact O-N 3.06Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 3.45Å; T179-Q182 WeakPolarHBondContact O-CA 3.39Å; T179-Q182 WeakPolarHBondContact O-CB 3.5Å; T179-Q182 PolarHBondContact O-N 3.27Å; T179-Q182 VanDerWaalsContact O-N 3.07Å; T179-E183 WeakPolarHBondContact O-CG 3.26Å; T179-E183 PolarHBondContact O-N 3.33Å |
| 180 | K | 98.6 | Very high | 98.5 | Very high | 132 Ų | 132 | 97.6 Ų | 97.6 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -41.4 | 177.3 | -170.9 | 176 | -177 | 179.1 | 0 | 112.5 | A176 A177 L178 Q182 E183 Q184 | A176-K180 PolarHBondContact O-N 3.43Å; A177-K180 PolarHBondContact O-N 3.36Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 2.92Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.98Å; K180-E183 PolarHBondContact O-N 3.5Å; K180-Q184 WeakPolarHBondContact O-CG 3.26Å; K180-Q184 PolarHBondContact O-N 3.28Å |
| 181 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 100.4 Ų | 100.4 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 174.4 | -71.3 | 174.1 | 0 | 0 | 0 | 111.7 | A177 L178 T179 Q184 R185 | A177-L181 WeakPolarHBondContact O-CG 3.47Å; A177-L181 PolarHBondContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 2.96Å; T179-L181 VanDerWaalsContact C-N 3.34Å; T179-L181 PolarHBondContact O-N 3.45Å; L181-Q184 PolarHBondContact O-N 3.16Å; L181-R185 VanDerWaalsContact O-CG 3.3Å; L181-R185 WeakPolarHBondContact O-CG 3.32Å; L181-R185 PolarHBondContact O-N 2.07Å |
| 182 | Q | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 176.1 | -176.3 | 175.4 | -16.8 | 0 | 0 | 112.2 | L178 T179 K180 R185 Q186 | L178-Q182 PolarHBondContact O-N 3.41Å; T179-Q182 WeakPolarHBondContact O-CA 3.39Å; T179-Q182 WeakPolarHBondContact O-CB 3.5Å; T179-Q182 PolarHBondContact O-N 3.27Å; T179-Q182 VanDerWaalsContact O-N 3.07Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.98Å; Q182-R185 WeakPolarHBondContact O-CB 3.39Å; Q182-R185 PolarHBondContact O-N 3.47Å; Q182-Q186 WeakPolarHBondContact O-CG 3.41Å; Q182-Q186 PolarHBondContact O-N 3.23Å |
| 183 | E | 98.5 | Very high | 98.5 | Very high | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 173.5 | -70.4 | 171.9 | 176.9 | 0 | 0 | 111.4 | T179 K180 R185 Q186 Y187 | T179-E183 WeakPolarHBondContact O-CG 3.26Å; T179-E183 PolarHBondContact O-N 3.33Å; K180-E183 PolarHBondContact O-N 3.5Å; E183-R185 VanDerWaalsContact C-N 3.32Å; E183-R185 PolarHBondContact O-N 2.98Å; E183-Q186 PolarHBondContact O-N 2.96Å; E183-Y187 WeakPolarHBondContact O-CB 3.34Å; E183-Y187 PolarHBondContact O-N 2.79Å |
| 184 | Q | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 104.7 Ų | 104.7 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 175.7 | -72.5 | 177.8 | -38.4 | 0 | 0 | 112 | K180 L181 Y187 I188 | K180-Q184 WeakPolarHBondContact O-CG 3.26Å; K180-Q184 PolarHBondContact O-N 3.28Å; L181-Q184 PolarHBondContact O-N 3.16Å; Q184-Y187 PolarHBondContact O-N 3.32Å; Q184-I188 VanDerWaalsContact O-CG1 3.26Å; Q184-I188 WeakPolarHBondContact O-CG1 3.3Å; Q184-I188 PolarHBondContact O-N 2.99Å |
| 185 | R | 98.7 | Very high | 98.4 | Very high | 186 Ų | 186 | 101 Ų | 101 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 174 | -76.8 | 173.8 | 177.1 | -142.7 | 0.4 | 111.8 | L181 Q182 E183 Y187 I188 V189 | L181-R185 VanDerWaalsContact O-CG 3.3Å; L181-R185 WeakPolarHBondContact O-CG 3.32Å; L181-R185 PolarHBondContact O-N 2.07Å; Q182-R185 WeakPolarHBondContact O-CB 3.39Å; Q182-R185 PolarHBondContact O-N 3.47Å; E183-R185 VanDerWaalsContact C-N 3.32Å; E183-R185 PolarHBondContact O-N 2.98Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-I188 PolarHBondContact O-N 2.87Å; R185-V189 WeakPolarHBondContact O-CG2 3.26Å; R185-V189 PolarHBondContact O-N 3.27Å; R185-V189 VanDerWaalsContact O-N 3.08Å |
| 186 | Q | 98.6 | Very high | 98.3 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 177.9 | -71.1 | 176.2 | -1.1 | 0 | 0 | 111.5 | Q182 E183 V189 A190 | Q182-Q186 WeakPolarHBondContact O-CG 3.41Å; Q182-Q186 PolarHBondContact O-N 3.23Å; E183-Q186 PolarHBondContact O-N 2.96Å; Q186-V189 PolarHBondContact O-N 3.27Å; Q186-A190 WeakPolarHBondContact O-CB 3.43Å; Q186-A190 PolarHBondContact O-N 3.35Å |
| 187 | Y | 98.5 | Very high | 98.3 | Very high | 145 Ų | 145 | 104 Ų | 104 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.3 | -49.4 | 175.7 | -175.5 | -94 | 0 | 0 | 0 | 111.5 | E183 Q184 R185 V189 A190 E191 | E183-Y187 WeakPolarHBondContact O-CB 3.34Å; E183-Y187 PolarHBondContact O-N 2.79Å; Q184-Y187 PolarHBondContact O-N 3.32Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; Y187-V189 VanDerWaalsContact C-N 3.34Å; Y187-V189 PolarHBondContact O-N 2.94Å; Y187-A190 PolarHBondContact O-N 3.33Å; Y187-A190 VanDerWaalsContact O-N 3.13Å; Y187-E191 HydrophobicContact CD1-CG 3.9Å; Y187-E191 HydrophobicContact CE1-CG 3.43Å; Y187-E191 VanDerWaalsContact CE1-CG 3.43Å; Y187-E191 HydrophobicContact CE2-CG 4.22Å; Y187-E191 HydrophobicContact CG-CG 4.45Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.19Å; Y187-E191 PolarHBondContact OH-OE2 2.98Å |
| 188 | I | 98.1 | Very high | 98.3 | Very high | 94 Ų | 94 | 107.1 Ų | 107.1 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54.5 | -50.6 | 176.2 | -69.2 | 163.9 | 0 | 0 | 0 | 110.5 | Q184 R185 A190 E191 F192 | Q184-I188 VanDerWaalsContact O-CG1 3.26Å; Q184-I188 WeakPolarHBondContact O-CG1 3.3Å; Q184-I188 PolarHBondContact O-N 2.99Å; R185-I188 PolarHBondContact O-N 2.87Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.13Å; I188-E191 PolarHBondContact O-N 3.41Å; I188-F192 HydrophobicContact CG2-CD2 3.84Å; I188-F192 HydrophobicContact CG2-CE2 4.03Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.41Å |
| 189 | V | 98.6 | Very high | 98.2 | Very high | 100 Ų | 100 | 106 Ų | 106 | 61% | 0.606 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 179.8 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | R185 Q186 Y187 K193 | R185-V189 WeakPolarHBondContact O-CG2 3.26Å; R185-V189 PolarHBondContact O-N 3.27Å; R185-V189 VanDerWaalsContact O-N 3.08Å; Q186-V189 PolarHBondContact O-N 3.27Å; Y187-V189 VanDerWaalsContact C-N 3.34Å; Y187-V189 PolarHBondContact O-N 2.94Å; V189-K193 VanDerWaalsContact O-CB 3.25Å; V189-K193 WeakPolarHBondContact O-CB 3.4Å; V189-K193 PolarHBondContact O-N 2.94Å |
| 190 | A | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 109.6 Ų | 109.6 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -47 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q186 Y187 I188 F192 K193 Q194 | Q186-A190 WeakPolarHBondContact O-CB 3.43Å; Q186-A190 PolarHBondContact O-N 3.35Å; Y187-A190 PolarHBondContact O-N 3.33Å; Y187-A190 VanDerWaalsContact O-N 3.13Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.13Å; A190-F192 PolarHBondContact O-N 3.37Å; A190-K193 WeakPolarHBondContact O-CB 3.3Å; A190-K193 PolarHBondContact O-N 2.93Å; A190-Q194 PolarHBondContact O-N 3.42Å |
| 191 | E | 97.7 | Very high | 98.2 | Very high | 89 Ų | 89 | 110.6 Ų | 110.6 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 178.3 | -69.6 | -65.1 | 95.8 | 0 | 0 | 111.2 | Y187 I188 K193 Q194 G195 | Y187-E191 HydrophobicContact CD1-CG 3.9Å; Y187-E191 HydrophobicContact CE1-CG 3.43Å; Y187-E191 VanDerWaalsContact CE1-CG 3.43Å; Y187-E191 HydrophobicContact CE2-CG 4.22Å; Y187-E191 HydrophobicContact CG-CG 4.45Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.19Å; Y187-E191 PolarHBondContact OH-OE2 2.98Å; I188-E191 PolarHBondContact O-N 3.41Å; E191-K193 PolarHBondContact O-N 3.4Å; E191-Q194 PolarHBondContact O-N 2.99Å; E191-G195 PolarHBondContact O-N 3.33Å |
| 192 | F | 97.9 | Very high | 98.1 | Very high | 106 Ų | 106 | 112.3 Ų | 112.3 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 177 | -86.5 | -80.4 | 0 | 0 | 0 | 112.2 | I188 A190 Q194 G195 H196 | I188-F192 HydrophobicContact CG2-CD2 3.84Å; I188-F192 HydrophobicContact CG2-CE2 4.03Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.41Å; A190-F192 PolarHBondContact O-N 3.37Å; F192-Q194 VanDerWaalsContact C-N 3.34Å; F192-Q194 PolarHBondContact O-N 3.47Å; F192-G195 PolarHBondContact O-N 3.31Å; F192-H196 WeakPolarHBondContact O-CB 3.46Å; F192-H196 PolarHBondContact O-CD2 3.34Å; F192-H196 VanDerWaalsContact O-CG 3.31Å; F192-H196 PolarHBondContact O-N 3.23Å |
| 193 | K | 98.5 | Very high | 98.1 | Very high | 133 Ų | 133 | 112.8 Ų | 112.8 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 174.8 | -178.9 | -178.8 | 179.4 | -178.1 | 0 | 111.3 | V189 A190 E191 H196 Q197 | V189-K193 VanDerWaalsContact O-CB 3.25Å; V189-K193 WeakPolarHBondContact O-CB 3.4Å; V189-K193 PolarHBondContact O-N 2.94Å; A190-K193 WeakPolarHBondContact O-CB 3.3Å; A190-K193 PolarHBondContact O-N 2.93Å; E191-K193 PolarHBondContact O-N 3.4Å; K193-H196 PolarHBondContact O-N 3.47Å; K193-Q197 WeakPolarHBondContact O-CB 3.41Å; K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.46Å; K193-Q197 PolarHBondContact O-N 3.2Å |
| 194 | Q | 98.2 | Very high | 98.1 | Very high | 130 Ų | 130 | 112 Ų | 112 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 176.9 | -174.4 | 177.4 | 2.9 | 0 | 0 | 111.4 | A190 E191 F192 Q197 F198 | A190-Q194 PolarHBondContact O-N 3.42Å; E191-Q194 PolarHBondContact O-N 2.99Å; F192-Q194 VanDerWaalsContact C-N 3.34Å; F192-Q194 PolarHBondContact O-N 3.47Å; Q194-Q197 PolarHBondContact O-N 2.94Å; Q194-F198 WeakPolarHBondContact O-CB 3.25Å; Q194-F198 PolarHBondContact O-N 3.3Å |
| 195 | G | 96.5 | Very high | 98 | Very high | 33 Ų | 33 | 111.2 Ų | 111.2 | 34% | 0.34 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E191 F192 Q197 F198 L199 | E191-G195 PolarHBondContact O-N 3.33Å; F192-G195 PolarHBondContact O-N 3.31Å; G195-Q197 PolarHBondContact O-N 2.98Å; G195-F198 PolarHBondContact O-N 3.45Å; G195-L199 WeakPolarHBondContact O-CG 3.35Å; G195-L199 PolarHBondContact O-N 2.93Å |
| 196 | H | 98.3 | Very high | 97.9 | Very high | 123 Ų | 123 | 103.9 Ų | 103.9 | 57% | 0.569 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 176.6 | -72 | -50.5 | 0 | 0 | 0 | 112.4 | F192 K193 F198 L199 K200 | F192-H196 WeakPolarHBondContact O-CB 3.46Å; F192-H196 PolarHBondContact O-CD2 3.34Å; F192-H196 VanDerWaalsContact O-CG 3.31Å; F192-H196 PolarHBondContact O-N 3.23Å; K193-H196 PolarHBondContact O-N 3.47Å; H196-F198 PolarHBondContact O-N 3.24Å; H196-L199 PolarHBondContact O-N 3.49Å; H196-K200 VanDerWaalsContact O-CB 3.31Å; H196-K200 WeakPolarHBondContact O-CB 3.39Å; H196-K200 PolarHBondContact O-N 3.35Å |
| 197 | Q | 98.5 | Very high | 97.9 | Very high | 97 Ų | 97 | 102.3 Ų | 102.3 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.9 | -74.7 | 179 | 4.4 | 0 | 0 | 112.2 | K193 Q194 G195 K201 | K193-Q197 WeakPolarHBondContact O-CB 3.41Å; K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.46Å; K193-Q197 PolarHBondContact O-N 3.2Å; Q194-Q197 PolarHBondContact O-N 2.94Å; G195-Q197 PolarHBondContact O-N 2.98Å; Q197-K201 WeakPolarHBondContact O-CB 3.27Å; Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.36Å; Q197-K201 PolarHBondContact O-N 3.07Å |
| 198 | F | 97.7 | Very high | 97.9 | Very high | 117 Ų | 117 | 99.1 Ų | 99.1 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 175.6 | 172.1 | -93.8 | 0 | 0 | 0 | 111.5 | Q194 G195 H196 K201 R202 | Q194-F198 WeakPolarHBondContact O-CB 3.25Å; Q194-F198 PolarHBondContact O-N 3.3Å; G195-F198 PolarHBondContact O-N 3.45Å; H196-F198 PolarHBondContact O-N 3.24Å; F198-K201 PolarHBondContact O-N 3.08Å; F198-R202 PolarHBondContact O-N 3.32Å |
| 199 | L | 97 | Very high | 97.8 | Very high | 72 Ų | 72 | 97.2 Ų | 97.2 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 179.5 | -70.5 | 174.6 | 0 | 0 | 0 | 111.5 | G195 H196 K201 R202 E203 L303 | G195-L199 WeakPolarHBondContact O-CG 3.35Å; G195-L199 PolarHBondContact O-N 2.93Å; H196-L199 PolarHBondContact O-N 3.49Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.93Å; L199-R202 PolarHBondContact O-N 3.19Å; L199-R202 VanDerWaalsContact O-N 3.1Å; L199-E203 WeakPolarHBondContact O-CB 3.33Å; L199-E203 PolarHBondContact O-N 3.39Å; L199-L303 HydrophobicContact CD2-CD2 4.14Å |
| 200 | K | 98.5 | Very high | 97.6 | Very high | 152 Ų | 152 | 95.4 Ų | 95.4 | 66% | 0.661 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.9 | -44.1 | 177.1 | -175.9 | 175.2 | -178 | 175.3 | 0 | 112.3 | H196 R202 E203 Q204 | H196-K200 VanDerWaalsContact O-CB 3.31Å; H196-K200 WeakPolarHBondContact O-CB 3.39Å; H196-K200 PolarHBondContact O-N 3.35Å; K200-R202 VanDerWaalsContact C-N 3.33Å; K200-R202 PolarHBondContact O-N 3.43Å; K200-E203 PolarHBondContact O-N 2.96Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.27Å |
| 201 | K | 98.4 | Very high | 97.6 | Very high | 152 Ų | 152 | 95.3 Ų | 95.3 | 66% | 0.661 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 176.6 | -75.3 | 177.4 | -178.3 | -178.7 | 0 | 112 | Q197 F198 L199 H205 | Q197-K201 WeakPolarHBondContact O-CB 3.27Å; Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.36Å; Q197-K201 PolarHBondContact O-N 3.07Å; F198-K201 PolarHBondContact O-N 3.08Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.93Å; K201-H205 WeakPolarHBondContact O-CB 3.39Å; K201-H205 PolarHBondContact O-N 2.87Å |
| 202 | R | 96.6 | Very high | 97.5 | Very high | 129 Ų | 129 | 94.7 Ų | 94.7 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.5 | -36.9 | -179.3 | -161.2 | 64.2 | 64.8 | 178.2 | 6.5 | 112.2 | F198 L199 K200 L206 | F198-R202 PolarHBondContact O-N 3.32Å; L199-R202 PolarHBondContact O-N 3.19Å; L199-R202 VanDerWaalsContact O-N 3.1Å; K200-R202 VanDerWaalsContact C-N 3.33Å; K200-R202 PolarHBondContact O-N 3.43Å; R202-L206 WeakPolarHBondContact O-CG 3.24Å; R202-L206 PolarHBondContact O-N 3.32Å |
| 203 | E | 97.8 | Very high | 97.3 | Very high | 126 Ų | 126 | 90.4 Ų | 90.4 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.4 | -54.7 | 170.9 | 178.3 | 178.1 | -156.4 | 0 | 0 | 110.9 | L199 K200 H205 L206 L207 | L199-E203 WeakPolarHBondContact O-CB 3.33Å; L199-E203 PolarHBondContact O-N 3.39Å; K200-E203 PolarHBondContact O-N 2.96Å; E203-H205 VanDerWaalsContact C-N 3.29Å; E203-H205 PolarHBondContact O-N 3.17Å; E203-L206 PolarHBondContact O-N 3.49Å; E203-L206 VanDerWaalsContact O-N 3.07Å; E203-L207 HydrophobicContact CG-CD1 4.19Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.46Å |
| 204 | Q | 98.5 | Very high | 97.2 | Very high | 98 Ų | 98 | 90 Ų | 90 | 46% | 0.458 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 178.7 | -171 | 63.1 | 44.5 | 0 | 0 | 111.7 | K200 L206 L207 D208 | K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 3.27Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.48Å; Q204-L207 PolarHBondContact O-N 3.24Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; Q204-D208 PolarHBondContact NE2-OD1 2.95Å; Q204-D208 PolarHBondContact O-N 2.93Å |
| 205 | H | 97.7 | Very high | 97.1 | Very high | 81 Ų | 81 | 89.3 Ų | 89.3 | 38% | 0.375 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.9 | -39 | 177.6 | 177.7 | 68.3 | 0 | 0 | 0 | 113.3 | K201 E203 Q209 | K201-H205 WeakPolarHBondContact O-CB 3.39Å; K201-H205 PolarHBondContact O-N 2.87Å; E203-H205 VanDerWaalsContact C-N 3.29Å; E203-H205 PolarHBondContact O-N 3.17Å; H205-Q209 PolarHBondContact CE1-NE2 3.01Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.32Å; H205-Q209 PolarHBondContact NE2-NE2 3.46Å; H205-Q209 WeakPolarHBondContact O-CG 3.47Å; H205-Q209 PolarHBondContact O-N 2.92Å |
| 206 | L | 96.7 | Very high | 96.9 | Very high | 33 Ų | 33 | 90.5 Ų | 90.5 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.9 | -40.7 | 177.2 | -70.2 | 171 | 0 | 0 | 0 | 111.4 | R202 E203 Q204 Q209 L210 F292 L299 | R202-L206 WeakPolarHBondContact O-CG 3.24Å; R202-L206 PolarHBondContact O-N 3.32Å; E203-L206 PolarHBondContact O-N 3.49Å; E203-L206 VanDerWaalsContact O-N 3.07Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.48Å; L206-Q209 PolarHBondContact O-N 2.83Å; L206-L210 PolarHBondContact O-N 3.02Å; L206-L210 VanDerWaalsContact O-N 3.1Å; L206-F292 HydrophobicContact CD2-CE1 4.28Å; L206-L299 HydrophobicContact CD1-CD2 3.91Å |
| 207 | L | 98.1 | Very high | 96.7 | Very high | 88 Ų | 88 | 88 Ų | 88 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.9 | -66.8 | 173.7 | 0 | 0 | 0 | 111.7 | E203 Q204 Q209 L210 A211 | E203-L207 HydrophobicContact CG-CD1 4.19Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.46Å; Q204-L207 PolarHBondContact O-N 3.24Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.99Å; L207-L210 WeakPolarHBondContact O-CB 3.19Å; L207-L210 PolarHBondContact O-N 3.37Å; L207-L210 VanDerWaalsContact O-N 3.12Å; L207-A211 PolarHBondContact O-N 3.47Å |
| 208 | D | 98.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 86.6 Ų | 86.6 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 178.2 | -64.8 | -20.9 | 0 | 0 | 0 | 111.9 | Q204 A211 T212 | Q204-D208 PolarHBondContact NE2-OD1 2.95Å; Q204-D208 PolarHBondContact O-N 2.93Å; D208-A211 PolarHBondContact O-N 3.5Å; D208-T212 PolarHBondContact O-N 3.29Å; D208-T212 PolarHBondContact O-OG1 2.89Å |
| 209 | Q | 95.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 84.8 Ų | 84.8 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 175.4 | -72.1 | -179 | -15.2 | 0 | 0 | 112.2 | H205 L206 L207 T212 L213 F292 K295 | H205-Q209 PolarHBondContact CE1-NE2 3.01Å; H205-Q209 VanDerWaalsContact CE1-NE2 3.32Å; H205-Q209 PolarHBondContact NE2-NE2 3.46Å; H205-Q209 WeakPolarHBondContact O-CG 3.47Å; H205-Q209 PolarHBondContact O-N 2.92Å; L206-Q209 PolarHBondContact O-N 2.83Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.99Å; Q209-T212 WeakPolarHBondContact O-CB 3.36Å; Q209-T212 PolarHBondContact O-N 2.9Å; Q209-L213 PolarHBondContact O-N 3.29Å; Q209-F292 HydrophobicContact CB-CE1 4.27Å; Q209-F292 HydrophobicContact CB-CE2 4.05Å; Q209-F292 HydrophobicContact CB-CZ 3.35Å; Q209-F292 HydrophobicContact CG-CZ 4.25Å; Q209-K295 VanDerWaalsContact OE1-NZ 3.09Å |
| 210 | L | 96 | Very high | 96 | Very high | 62 Ų | 62 | 82.2 Ų | 82.2 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 173.5 | -74 | 174.1 | 0 | 0 | 0 | 111.2 | L206 L207 T212 L213 E214 F292 | L206-L210 PolarHBondContact O-N 3.02Å; L206-L210 VanDerWaalsContact O-N 3.1Å; L207-L210 WeakPolarHBondContact O-CB 3.19Å; L207-L210 PolarHBondContact O-N 3.37Å; L207-L210 VanDerWaalsContact O-N 3.12Å; L210-T212 PolarHBondContact O-N 3.5Å; L210-L213 WeakPolarHBondContact O-CA 3.49Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 3.38Å; L210-E214 WeakPolarHBondContact O-CG 3.49Å; L210-E214 PolarHBondContact O-N 3.38Å; L210-F292 HydrophobicContact CD2-CD1 3.69Å; L210-F292 HydrophobicContact CD2-CD2 4.46Å; L210-F292 HydrophobicContact CD2-CE1 3.96Å; L210-F292 HydrophobicContact CD2-CG 3.98Å; L210-F292 HydrophobicContact CD2-CZ 4.47Å; L210-F292 HydrophobicContact CG-CD1 4.15Å; L210-F292 HydrophobicContact CG-CE1 3.97Å |
| 211 | A | 97.5 | Very high | 95.7 | Very high | 49 Ų | 49 | 82.3 Ų | 82.3 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.3 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L207 D208 L213 E214 Q215 | L207-A211 PolarHBondContact O-N 3.47Å; D208-A211 PolarHBondContact O-N 3.5Å; A211-L213 PolarHBondContact O-N 3.41Å; A211-E214 PolarHBondContact O-N 3.49Å; A211-Q215 WeakPolarHBondContact O-CB 3.44Å; A211-Q215 PolarHBondContact O-N 2.95Å |
| 212 | T | 95.8 | Very high | 95.4 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | D208 Q209 L210 L216 | D208-T212 PolarHBondContact O-N 3.29Å; D208-T212 PolarHBondContact O-OG1 2.89Å; Q209-T212 WeakPolarHBondContact O-CB 3.36Å; Q209-T212 PolarHBondContact O-N 2.9Å; L210-T212 PolarHBondContact O-N 3.5Å; T212-L216 HydrophobicContact CG2-CD1 4.5Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.1Å |
| 213 | L | 93.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 79.2 Ų | 79.2 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | 176.9 | -71.9 | 175.1 | 0 | 0 | 0 | 112 | Q209 L210 A211 L216 L217 V285 K288 F292 | Q209-L213 PolarHBondContact O-N 3.29Å; L210-L213 WeakPolarHBondContact O-CA 3.49Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 3.38Å; A211-L213 PolarHBondContact O-N 3.41Å; L213-L216 PolarHBondContact O-N 3.05Å; L213-L217 WeakPolarHBondContact O-CG 3.29Å; L213-L217 PolarHBondContact O-N 3.01Å; L213-V285 HydrophobicContact CD2-CG1 4.42Å; L213-K288 HydrophobicContact CD1-CB 4.2Å; L213-K288 HydrophobicContact CD2-CB 3.77Å; L213-K288 HydrophobicContact CD2-CD 3.71Å; L213-K288 HydrophobicContact CD2-CG 4.41Å; L213-F292 HydrophobicContact CD1-CD2 3.46Å; L213-F292 VanDerWaalsContact CD1-CD2 3.46Å; L213-F292 HydrophobicContact CD1-CE2 3.6Å; L213-F292 HydrophobicContact CD1-CG 4.41Å |
| 214 | E | 95.5 | Very high | 94.8 | Very high | 125 Ų | 125 | 76.4 Ų | 76.4 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 175 | -71 | 176.7 | 170.5 | 0 | 0 | 111.7 | L210 A211 L217 T218 | L210-E214 WeakPolarHBondContact O-CG 3.49Å; L210-E214 PolarHBondContact O-N 3.38Å; A211-E214 PolarHBondContact O-N 3.49Å; E214-L217 PolarHBondContact O-N 3.47Å; E214-T218 WeakPolarHBondContact O-CB 3.41Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 2.88Å |
| 215 | Q | 95.8 | Very high | 94.5 | Very high | 115 Ų | 115 | 78.1 Ų | 78.1 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 174.3 | -176.1 | 179.8 | -8.7 | 0 | 0 | 111.2 | A211 L217 T218 E219 | A211-Q215 WeakPolarHBondContact O-CB 3.44Å; A211-Q215 PolarHBondContact O-N 2.95Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 3.38Å; Q215-T218 PolarHBondContact O-N 2.9Å; Q215-T218 VanDerWaalsContact O-N 3.11Å; Q215-E219 HydrophobicContact CG-CG 4.44Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.4Å; Q215-E219 PolarHBondContact NE2-OE1 3.03Å; Q215-E219 WeakPolarHBondContact O-CG 3.36Å; Q215-E219 PolarHBondContact O-N 3.39Å |
| 216 | L | 93.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 78.1 Ų | 78.1 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 177.5 | -74.5 | 172.1 | 0 | 0 | 0 | 112.8 | T212 L213 G220 M284 V285 | T212-L216 HydrophobicContact CG2-CD1 4.5Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.1Å; L213-L216 PolarHBondContact O-N 3.05Å; L216-G220 PolarHBondContact O-N 3.32Å; L216-M284 HydrophobicContact CD1-CE 4.46Å; L216-V285 HydrophobicContact CB-CG2 4.39Å |
| 217 | L | 93.6 | Very high | 93.9 | Very high | 71 Ų | 71 | 83.1 Ų | 83.1 | 37% | 0.372 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 173.9 | -75 | 170.7 | 0 | 0 | 0 | 111.8 | L213 E214 Q215 G220 R221 I281 V285 | L213-L217 WeakPolarHBondContact O-CG 3.29Å; L213-L217 PolarHBondContact O-N 3.01Å; E214-L217 PolarHBondContact O-N 3.47Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 3.38Å; L217-G220 PolarHBondContact O-N 3.27Å; L217-R221 WeakPolarHBondContact O-CB 3.27Å; L217-R221 PolarHBondContact O-N 3.36Å; L217-I281 HydrophobicContact CD2-CG1 4.26Å; L217-I281 HydrophobicContact CD2-CG2 3.89Å; L217-V285 HydrophobicContact CD1-CG1 4.25Å; L217-V285 HydrophobicContact CD2-CB 4.44Å; L217-V285 HydrophobicContact CD2-CG1 3.54Å; L217-V285 HydrophobicContact CG-CG1 3.72Å |
| 218 | T | 94.7 | Very high | 93.4 | Very high | 68 Ų | 68 | 79.9 Ų | 79.9 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | -179.3 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | E214 Q215 G220 R221 E222 | E214-T218 WeakPolarHBondContact O-CB 3.41Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 2.88Å; Q215-T218 PolarHBondContact O-N 2.9Å; Q215-T218 VanDerWaalsContact O-N 3.11Å; T218-G220 VanDerWaalsContact C-N 3.34Å; T218-G220 PolarHBondContact O-N 3.42Å; T218-R221 WeakPolarHBondContact O-CB 3.31Å; T218-R221 PolarHBondContact O-N 2.9Å; T218-E222 PolarHBondContact O-N 2.97Å; T218-E222 VanDerWaalsContact O-N 3.11Å |
| 219 | E | 92.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 79.5 Ų | 79.5 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174 | -69.5 | 176.6 | -165.2 | 0 | 0 | 112.1 | Q215 R221 E222 K223 | Q215-E219 HydrophobicContact CG-CG 4.44Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.4Å; Q215-E219 PolarHBondContact NE2-OE1 3.03Å; Q215-E219 WeakPolarHBondContact O-CG 3.36Å; Q215-E219 PolarHBondContact O-N 3.39Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.03Å; E219-E222 PolarHBondContact O-N 3.32Å; E219-K223 WeakPolarHBondContact O-CG 3.47Å; E219-K223 PolarHBondContact O-N 3.46Å |
| 220 | G | 91.4 | Very high | 93 | Very high | 17 Ų | 17 | 80.4 Ų | 80.4 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L216 L217 T218 K223 F224 | L216-G220 PolarHBondContact O-N 3.32Å; L217-G220 PolarHBondContact O-N 3.27Å; T218-G220 VanDerWaalsContact C-N 3.34Å; T218-G220 PolarHBondContact O-N 3.42Å; G220-K223 PolarHBondContact O-N 3.3Å; G220-F224 VanDerWaalsContact O-CB 3.31Å; G220-F224 WeakPolarHBondContact O-CB 3.42Å; G220-F224 PolarHBondContact O-N 3.16Å |
| 221 | R | 92.3 | Very high | 92.6 | Very high | 154 Ų | 154 | 80.4 Ų | 80.4 | 58% | 0.581 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 177.4 | -174.1 | -173.6 | 72.4 | -167.1 | -0.2 | 111.7 | L217 T218 E219 F224 K225 | L217-R221 WeakPolarHBondContact O-CB 3.27Å; L217-R221 PolarHBondContact O-N 3.36Å; T218-R221 WeakPolarHBondContact O-CB 3.31Å; T218-R221 PolarHBondContact O-N 2.9Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.03Å; R221-F224 PolarHBondContact O-N 2.87Å; R221-K225 WeakPolarHBondContact O-CB 3.33Å; R221-K225 PolarHBondContact O-N 2.85Å |
| 222 | E | 92.8 | Very high | 92.3 | Very high | 78 Ų | 78 | 83.4 Ų | 83.4 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 179.4 | -62.1 | -47.1 | 131.1 | 0 | 0 | 111.8 | T218 E219 F224 K225 T226 | T218-E222 PolarHBondContact O-N 2.97Å; T218-E222 VanDerWaalsContact O-N 3.11Å; E219-E222 PolarHBondContact O-N 3.32Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 2.81Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 WeakPolarHBondContact O-CG2 3.37Å; E222-T226 PolarHBondContact O-N 2.85Å; E222-T226 PolarHBondContact O-OG1 3.21Å |
| 223 | K | 90.8 | Very high | 92.1 | Very high | 138 Ų | 138 | 84.4 Ų | 84.4 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.5 | -39.1 | 173 | -71.6 | 172.1 | -175.9 | 168.5 | 0 | 112.4 | E219 G220 T226 R227 | E219-K223 WeakPolarHBondContact O-CG 3.47Å; E219-K223 PolarHBondContact O-N 3.46Å; G220-K223 PolarHBondContact O-N 3.3Å; K223-T226 WeakPolarHBondContact CA-OG1 3.47Å; K223-T226 PolarHBondContact O-OG1 3Å; K223-R227 VanDerWaalsContact O-CB 3.31Å; K223-R227 WeakPolarHBondContact O-CB 3.31Å; K223-R227 PolarHBondContact O-N 3.05Å |
| 224 | F | 90.5 | Very high | 91.9 | Very high | 68 Ų | 68 | 87.7 Ų | 87.7 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 177.3 | -168.7 | -87.5 | 0 | 0 | 0 | 111.4 | G220 R221 E222 G228 W276 G278 A280 | G220-F224 VanDerWaalsContact O-CB 3.31Å; G220-F224 WeakPolarHBondContact O-CB 3.42Å; G220-F224 PolarHBondContact O-N 3.16Å; R221-F224 PolarHBondContact O-N 2.87Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 2.81Å; F224-G228 PolarHBondContact O-N 3.39Å; F224-W276 AromaticContact CD1-CH2 3.93Å; F224-W276 HydrophobicContact CD1-CH2 3.93Å; F224-W276 AromaticContact CD2-CH2 3.15Å; F224-W276 HydrophobicContact CD2-CH2 3.15Å; F224-W276 AromaticContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ3 4.25Å; F224-W276 AromaticContact CE1-CH2 3.72Å; F224-W276 HydrophobicContact CE1-CH2 3.72Å; F224-W276 AromaticContact CE1-CZ3 3.96Å; F224-W276 HydrophobicContact CE1-CZ3 3.96Å; F224-W276 AromaticContact CE2-CH2 2.91Å; F224-W276 HydrophobicContact CE2-CH2 2.91Å; F224-W276 AromaticContact CE2-CZ2 3.41Å; F224-W276 HydrophobicContact CE2-CZ2 3.41Å; F224-W276 VanDerWaalsContact CE2-CZ2 3.41Å; F224-W276 AromaticContact CE2-CZ3 3.66Å; F224-W276 HydrophobicContact CE2-CZ3 3.66Å; F224-W276 AromaticContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CZ2 4.35Å; F224-W276 AromaticContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CZ2 4.14Å; F224-W276 AromaticContact CZ-CZ3 3.49Å; F224-W276 HydrophobicContact CZ-CZ3 3.49Å; F224-W276 VanDerWaalsContact CZ-CZ3 3.49Å; F224-G278 WeakPolarHBondContact CE2-O 3.31Å; F224-A280 HydrophobicContact CD1-CB 4.5Å; F224-A280 VanDerWaalsContact CD2-CA 3.48Å; F224-A280 HydrophobicContact CD2-CB 4.03Å; F224-A280 HydrophobicContact CE1-CB 4.28Å; F224-A280 HydrophobicContact CE2-CB 3.77Å; F224-A280 HydrophobicContact CG-CB 4.39Å; F224-A280 HydrophobicContact CZ-CB 3.92Å |
| 225 | K | 91.9 | Very high | 91.5 | Very high | 133 Ų | 133 | 84.1 Ų | 84.1 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.7 | -52.5 | 178.2 | -177 | -177.3 | 176.6 | -173.4 | 0 | 111.9 | R221 E222 R227 G228 V229 | R221-K225 WeakPolarHBondContact O-CB 3.33Å; R221-K225 PolarHBondContact O-N 2.85Å; E222-K225 PolarHBondContact O-N 3.48Å; K225-R227 VanDerWaalsContact C-N 3.34Å; K225-R227 PolarHBondContact O-N 3.07Å; K225-G228 PolarHBondContact O-N 3.08Å; K225-G228 VanDerWaalsContact O-N 3.16Å; K225-V229 WeakPolarHBondContact O-CG2 3.33Å; K225-V229 PolarHBondContact O-N 3.3Å |
| 226 | T | 92.1 | Very high | 91.4 | Very high | 81 Ų | 81 | 82.6 Ų | 82.6 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 179.5 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | E222 K223 G228 V229 S230 | E222-T226 WeakPolarHBondContact O-CB 3.5Å; E222-T226 WeakPolarHBondContact O-CG2 3.37Å; E222-T226 PolarHBondContact O-N 2.85Å; E222-T226 PolarHBondContact O-OG1 3.21Å; K223-T226 WeakPolarHBondContact CA-OG1 3.47Å; K223-T226 PolarHBondContact O-OG1 3Å; T226-G228 PolarHBondContact O-N 3.15Å; T226-V229 PolarHBondContact O-N 3.29Å; T226-S230 PolarHBondContact O-N 3Å; T226-S230 VanDerWaalsContact O-N 3.08Å; T226-S230 PolarHBondContact O-OG 3.49Å |
| 227 | R | 89 | Confident | 91.3 | Very high | 138 Ų | 138 | 85 Ų | 85 | 52% | 0.521 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.6 | -169.6 | 173.3 | -174.3 | 169.6 | 3.1 | 113 | K223 K225 S230 E231 | K223-R227 VanDerWaalsContact O-CB 3.31Å; K223-R227 WeakPolarHBondContact O-CB 3.31Å; K223-R227 PolarHBondContact O-N 3.05Å; K225-R227 VanDerWaalsContact C-N 3.34Å; K225-R227 PolarHBondContact O-N 3.07Å; R227-S230 PolarHBondContact O-N 3.24Å; R227-E231 PolarHBondContact O-N 3.07Å; R227-E231 VanDerWaalsContact O-N 3.11Å |
| 228 | G | 89.1 | Confident | 91.1 | Very high | 20 Ų | 20 | 83 Ų | 83 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F224 K225 T226 E231 L232 | F224-G228 PolarHBondContact O-N 3.39Å; K225-G228 PolarHBondContact O-N 3.08Å; K225-G228 VanDerWaalsContact O-N 3.16Å; T226-G228 PolarHBondContact O-N 3.15Å; G228-E231 PolarHBondContact O-N 3.24Å; G228-L232 WeakPolarHBondContact O-CG 3.42Å; G228-L232 PolarHBondContact O-N 3.46Å |
| 229 | V | 92.5 | Very high | 90.9 | Very high | 71 Ų | 71 | 84 Ų | 84 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59 | -49.3 | 175.1 | 173 | 0 | 0 | 0 | 0 | 110.7 | K225 T226 E231 L232 D233 | K225-V229 WeakPolarHBondContact O-CG2 3.33Å; K225-V229 PolarHBondContact O-N 3.3Å; T226-V229 PolarHBondContact O-N 3.29Å; V229-E231 VanDerWaalsContact C-N 3.29Å; V229-E231 PolarHBondContact O-N 2.96Å; V229-L232 WeakPolarHBondContact O-CB 3.39Å; V229-L232 PolarHBondContact O-N 3.37Å; V229-L232 VanDerWaalsContact O-N 3.07Å; V229-D233 VanDerWaalsContact O-CG 3.3Å; V229-D233 PolarHBondContact O-N 3.44Å |
| 230 | S | 90.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 83.3 Ų | 83.3 | 51% | 0.51 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -36.3 | 179.1 | -56 | 0 | 0 | 0 | 0 | 113.7 | T226 R227 R234 | T226-S230 PolarHBondContact O-N 3Å; T226-S230 VanDerWaalsContact O-N 3.08Å; T226-S230 PolarHBondContact O-OG 3.49Å; R227-S230 PolarHBondContact O-N 3.24Å; S230-R234 WeakPolarHBondContact O-CB 3.42Å; S230-R234 PolarHBondContact O-N 3.5Å; S230-R234 VanDerWaalsContact O-N 3.1Å |
| 231 | E | 88.6 | Confident | 90.8 | Very high | 61 Ų | 61 | 86.5 Ų | 86.5 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.2 | -36.6 | 174.9 | -74.3 | -62.9 | 154.3 | 0 | 0 | 112.4 | R227 G228 V229 R234 L235 | R227-E231 PolarHBondContact O-N 3.07Å; R227-E231 VanDerWaalsContact O-N 3.11Å; G228-E231 PolarHBondContact O-N 3.24Å; V229-E231 VanDerWaalsContact C-N 3.29Å; V229-E231 PolarHBondContact O-N 2.96Å; E231-R234 PolarHBondContact O-N 3.49Å; E231-R234 IonicContact OE2-CZ 2.89Å; E231-R234 VanDerWaalsContact OE2-CZ 3.3Å; E231-R234 IonicContact OE2-NE 2.88Å; E231-R234 PolarHBondContact OE2-NE 3.1Å; E231-R234 IonicContact OE2-NH2 2.78Å; E231-R234 PolarHBondContact OE2-NH2 3.2Å; E231-L235 WeakPolarHBondContact O-CB 3.48Å; E231-L235 VanDerWaalsContact O-CG 3.29Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.18Å |
| 232 | L | 90.7 | Very high | 90.6 | Very high | 112 Ų | 112 | 82.2 Ų | 82.2 | 59% | 0.586 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 173.7 | -73.2 | 172.5 | 0 | 0 | 0 | 111.6 | G228 V229 R234 L235 T236 | G228-L232 WeakPolarHBondContact O-CG 3.42Å; G228-L232 PolarHBondContact O-N 3.46Å; V229-L232 WeakPolarHBondContact O-CB 3.39Å; V229-L232 PolarHBondContact O-N 3.37Å; V229-L232 VanDerWaalsContact O-N 3.07Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.25Å; L232-L235 PolarHBondContact O-N 3.3Å; L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.12Å; L232-T236 PolarHBondContact O-OG1 2.85Å |
| 233 | D | 92.7 | Very high | 90.5 | Very high | 97 Ų | 97 | 83.4 Ų | 83.4 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.7 | -66.3 | -23.5 | 0 | 0 | 0 | 110.6 | V229 L235 T236 L237 | V229-D233 VanDerWaalsContact O-CG 3.3Å; V229-D233 PolarHBondContact O-N 3.44Å; D233-L235 VanDerWaalsContact C-N 3.35Å; D233-L235 PolarHBondContact O-N 3.46Å; D233-T236 PolarHBondContact O-N 2.99Å; D233-L237 WeakPolarHBondContact O-CB 3.5Å; D233-L237 PolarHBondContact O-N 2.79Å |
| 234 | R | 88.8 | Confident | 90.5 | Very high | 84 Ų | 84 | 78.7 Ų | 78.7 | 32% | 0.317 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.6 | -171.7 | -172.1 | 66.9 | 68.6 | 3.9 | 112 | S230 E231 L232 V238 | S230-R234 WeakPolarHBondContact O-CB 3.42Å; S230-R234 PolarHBondContact O-N 3.5Å; S230-R234 VanDerWaalsContact O-N 3.1Å; E231-R234 PolarHBondContact O-N 3.49Å; E231-R234 IonicContact OE2-CZ 2.89Å; E231-R234 VanDerWaalsContact OE2-CZ 3.3Å; E231-R234 IonicContact OE2-NE 2.88Å; E231-R234 PolarHBondContact OE2-NE 3.1Å; E231-R234 IonicContact OE2-NH2 2.78Å; E231-R234 PolarHBondContact OE2-NH2 3.2Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.25Å; R234-V238 WeakPolarHBondContact O-CG2 3.42Å; R234-V238 PolarHBondContact O-N 3.12Å |
| 235 | L | 88.2 | Confident | 90.3 | Very high | 51 Ų | 51 | 77.6 Ų | 77.6 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70 | -41.6 | 178.9 | -74.2 | 175 | 0 | 0 | 0 | 111.8 | E231 L232 D233 L237 V238 I239 F275 | E231-L235 WeakPolarHBondContact O-CB 3.48Å; E231-L235 VanDerWaalsContact O-CG 3.29Å; E231-L235 WeakPolarHBondContact O-CG 3.32Å; E231-L235 PolarHBondContact O-N 3.18Å; L232-L235 PolarHBondContact O-N 3.3Å; D233-L235 VanDerWaalsContact C-N 3.35Å; D233-L235 PolarHBondContact O-N 3.46Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 2.86Å; L235-V238 PolarHBondContact O-N 3.38Å; L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 WeakPolarHBondContact O-CD1 3.5Å; L235-I239 VanDerWaalsContact O-CG1 3.22Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.38Å; L235-F275 HydrophobicContact CD1-CE1 4.37Å |
| 236 | T | 93.4 | Very high | 90 | Very high | 82 Ų | 82 | 75 Ų | 75 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.6 | -47.5 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | L232 D233 V238 I239 S240 | L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.12Å; L232-T236 PolarHBondContact O-OG1 2.85Å; D233-T236 PolarHBondContact O-N 2.99Å; T236-V238 PolarHBondContact O-N 3.08Å; T236-I239 PolarHBondContact O-N 3.43Å; T236-S240 PolarHBondContact O-N 3.43Å; T236-S240 PolarHBondContact O-OG 2.89Å |
| 237 | L | 91.6 | Very high | 90 | Very high | 108 Ų | 108 | 81.1 Ų | 81.1 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58 | -50.6 | 176.8 | -177.3 | 67.9 | 0 | 0 | 0 | 112 | D233 L235 I239 S240 E241 | D233-L237 WeakPolarHBondContact O-CB 3.5Å; D233-L237 PolarHBondContact O-N 2.79Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 2.86Å; L237-I239 VanDerWaalsContact C-N 3.34Å; L237-I239 PolarHBondContact O-N 2.97Å; L237-S240 PolarHBondContact O-N 3.35Å; L237-E241 WeakPolarHBondContact O-CG 3.4Å; L237-E241 PolarHBondContact O-N 2.93Å |
| 238 | V | 88.7 | Confident | 89.9 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 19% | 0.188 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 179.9 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | R234 L235 T236 L242 Y270 | R234-V238 WeakPolarHBondContact O-CG2 3.42Å; R234-V238 PolarHBondContact O-N 3.12Å; L235-V238 PolarHBondContact O-N 3.38Å; T236-V238 PolarHBondContact O-N 3.08Å; V238-L242 HydrophobicContact CG1-CD1 4.04Å; V238-L242 WeakPolarHBondContact O-CB 3.48Å; V238-L242 WeakPolarHBondContact O-CG 3.45Å; V238-L242 PolarHBondContact O-N 3.39Å; V238-L242 VanDerWaalsContact O-N 3.07Å; V238-Y270 HydrophobicContact CB-CD1 4.36Å; V238-Y270 HydrophobicContact CG1-CD1 3.43Å; V238-Y270 VanDerWaalsContact CG1-CD1 3.43Å; V238-Y270 HydrophobicContact CG1-CE1 3.98Å; V238-Y270 HydrophobicContact CG1-CG 4.09Å; V238-Y270 HydrophobicContact CG2-CD1 4.13Å; V238-Y270 HydrophobicContact CG2-CE1 4.38Å |
| 239 | I | 90.5 | Very high | 90 | Very high | 88 Ų | 88 | 80 Ų | 80 | 45% | 0.451 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 175.9 | -71.8 | 164.2 | 0 | 0 | 0 | 109.9 | L235 T236 L237 E241 L242 E243 | L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 WeakPolarHBondContact O-CD1 3.5Å; L235-I239 VanDerWaalsContact O-CG1 3.22Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.38Å; T236-I239 PolarHBondContact O-N 3.43Å; L237-I239 VanDerWaalsContact C-N 3.34Å; L237-I239 PolarHBondContact O-N 2.97Å; I239-E241 VanDerWaalsContact C-N 3.32Å; I239-E241 PolarHBondContact O-N 3.19Å; I239-L242 PolarHBondContact O-N 3.34Å; I239-L242 VanDerWaalsContact O-N 3.15Å; I239-E243 HydrophobicContact CG2-CG 4.12Å; I239-E243 WeakPolarHBondContact O-CB 3.47Å; I239-E243 WeakPolarHBondContact O-CG 3.35Å; I239-E243 PolarHBondContact O-N 3.29Å |
| 240 | S | 93.2 | Very high | 89.7 | Confident | 65 Ų | 65 | 80.3 Ų | 80.3 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 179 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | T236 L237 G244 | T236-S240 PolarHBondContact O-N 3.43Å; T236-S240 PolarHBondContact O-OG 2.89Å; L237-S240 PolarHBondContact O-N 3.35Å; S240-G244 PolarHBondContact O-N 3.09Å |
| 241 | E | 89.1 | Confident | 89.6 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 173.3 | -75.9 | -179.2 | -164.5 | 0 | 0 | 112.3 | L237 I239 K245 Y270 | L237-E241 WeakPolarHBondContact O-CG 3.4Å; L237-E241 PolarHBondContact O-N 2.93Å; I239-E241 VanDerWaalsContact C-N 3.32Å; I239-E241 PolarHBondContact O-N 3.19Å; E241-K245 WeakPolarHBondContact O-CG 3.36Å; E241-K245 PolarHBondContact O-N 2.87Å; E241-Y270 VanDerWaalsContact OE2-CE1 3.31Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.41Å; E241-Y270 PolarHBondContact OE2-OH 2.82Å |
| 242 | L | 87.1 | Confident | 89.3 | Confident | 64 Ų | 64 | 82 Ų | 82 | 34% | 0.335 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.7 | -39.8 | -178.9 | -73.9 | 175 | 0 | 0 | 0 | 112.6 | V238 I239 G244 K245 A246 F266 Y270 | V238-L242 HydrophobicContact CG1-CD1 4.04Å; V238-L242 WeakPolarHBondContact O-CB 3.48Å; V238-L242 WeakPolarHBondContact O-CG 3.45Å; V238-L242 PolarHBondContact O-N 3.39Å; V238-L242 VanDerWaalsContact O-N 3.07Å; I239-L242 PolarHBondContact O-N 3.34Å; I239-L242 VanDerWaalsContact O-N 3.15Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-K245 PolarHBondContact O-N 2.9Å; L242-A246 WeakPolarHBondContact O-CB 3.36Å; L242-A246 PolarHBondContact O-N 2.91Å; L242-F266 HydrophobicContact CD2-CD1 4.25Å; L242-Y270 HydrophobicContact CD1-CD2 4.36Å; L242-Y270 HydrophobicContact CD1-CG 4.35Å; L242-Y270 HydrophobicContact CD2-CD2 3.68Å; L242-Y270 HydrophobicContact CD2-CE2 3.51Å; L242-Y270 HydrophobicContact CD2-CG 4.42Å; L242-Y270 HydrophobicContact CG-CD2 4.28Å; L242-Y270 HydrophobicContact CG-CE2 4.21Å |
| 243 | E | 92 | Very high | 88.8 | Confident | 103 Ų | 103 | 79.1 Ų | 79.1 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 173.3 | -73.8 | -179.6 | 162.2 | 0 | 0 | 111.5 | I239 A246 R247 | I239-E243 HydrophobicContact CG2-CG 4.12Å; I239-E243 WeakPolarHBondContact O-CB 3.47Å; I239-E243 WeakPolarHBondContact O-CG 3.35Å; I239-E243 PolarHBondContact O-N 3.29Å; E243-A246 PolarHBondContact O-N 3.03Å; E243-R247 WeakPolarHBondContact O-CG 3.49Å; E243-R247 PolarHBondContact O-N 3.45Å |
| 244 | G | 90.5 | Very high | 88.2 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.3 | -49.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S240 L242 A246 R247 Q248 | S240-G244 PolarHBondContact O-N 3.09Å; L242-G244 VanDerWaalsContact C-N 3.34Å; G244-A246 PolarHBondContact O-N 3.44Å; G244-R247 PolarHBondContact O-N 3.23Å; G244-R247 VanDerWaalsContact O-N 3.15Å; G244-Q248 PolarHBondContact O-N 3.42Å |
| 245 | K | 86.6 | Confident | 87.7 | Confident | 44 Ų | 44 | 82 Ų | 82 | 19% | 0.191 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176 | -74.7 | -178.8 | 176.5 | 177.5 | 0 | 113.1 | E241 L242 R247 Q248 F266 Y270 | E241-K245 WeakPolarHBondContact O-CG 3.36Å; E241-K245 PolarHBondContact O-N 2.87Å; L242-K245 PolarHBondContact O-N 2.9Å; K245-R247 PolarHBondContact O-N 3.33Å; K245-Q248 WeakPolarHBondContact O-CB 3.44Å; K245-Q248 PolarHBondContact O-N 3.06Å; K245-Q248 VanDerWaalsContact O-N 3.14Å; K245-Q248 PolarHBondContact O-OE1 2.98Å; K245-F266 HydrophobicContact CD-CE1 3.99Å; K245-Y270 PolarHBondContact NZ-OH 3.17Å |
| 246 | A | 85.8 | Confident | 86.9 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 65% | 0.653 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.4 | -19.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L242 E243 G244 | L242-A246 WeakPolarHBondContact O-CB 3.36Å; L242-A246 PolarHBondContact O-N 2.91Å; E243-A246 PolarHBondContact O-N 3.03Å; G244-A246 PolarHBondContact O-N 3.44Å |
| 247 | R | 91.2 | Very high | 85.7 | Confident | 210 Ų | 210 | 79.7 Ų | 79.7 | 79% | 0.792 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.8 | 176.6 | -68.5 | 176.7 | -174.5 | -174 | 4.7 | 114 | E243 G244 K245 | E243-R247 WeakPolarHBondContact O-CG 3.49Å; E243-R247 PolarHBondContact O-N 3.45Å; G244-R247 PolarHBondContact O-N 3.23Å; G244-R247 VanDerWaalsContact O-N 3.15Å; K245-R247 PolarHBondContact O-N 3.33Å |
| 248 | Q | 87.6 | Confident | 84.4 | Confident | 55 Ų | 55 | 78.6 Ų | 78.6 | 26% | 0.257 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -63.4 | 147.3 | 179.7 | -74.6 | 171.2 | -46.7 | 0 | 0 | 111.2 | G244 K245 E252 L253 D256 | G244-Q248 PolarHBondContact O-N 3.42Å; K245-Q248 WeakPolarHBondContact O-CB 3.44Å; K245-Q248 PolarHBondContact O-N 3.06Å; K245-Q248 VanDerWaalsContact O-N 3.14Å; K245-Q248 PolarHBondContact O-OE1 2.98Å; Q248-E252 HydrophobicContact CB-CB 4.35Å; Q248-L253 HydrophobicContact CB-CB 4.3Å; Q248-D256 PolarHBondContact NE2-OD2 3.36Å; Q248-D256 PolarHBondContact OE1-OD2 2.98Å |
| 249 | P | 90.9 | Very high | 83.2 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | trans | -53.7 | 144.7 | 169.2 | -22.8 | 32.7 | 0 | 0 | 0 | 111.3 | A251 E252 L253 | P249-A251 PolarHBondContact O-N 2.9Å; P249-E252 PolarHBondContact O-N 3.36Å; P249-L253 PolarHBondContact O-N 2.88Å | ||
| 250 | A | 86.6 | Confident | 81.7 | Confident | 77 Ų | 77 | 80.3 Ų | 80.3 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -53 | -34.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | M254 | A250-M254 VanDerWaalsContact O-CB 3.25Å; A250-M254 WeakPolarHBondContact O-CB 3.44Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.47Å |
| 251 | A | 87.4 | Confident | 79.7 | Confident | 71 Ų | 71 | 86.2 Ų | 86.2 | 59% | 0.587 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P249 M254 Q255 | P249-A251 PolarHBondContact O-N 2.9Å; A251-M254 PolarHBondContact O-N 2.94Å; A251-Q255 WeakPolarHBondContact O-CG 3.41Å; A251-Q255 PolarHBondContact O-N 3.4Å |
| 252 | E | 82.5 | Confident | 77.7 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.4 | -44.9 | 178.4 | -69 | 176.8 | -163.6 | 0 | 0 | 110.9 | Q248 P249 M254 Q255 D256 | Q248-E252 HydrophobicContact CB-CB 4.35Å; P249-E252 PolarHBondContact O-N 3.36Å; E252-M254 VanDerWaalsContact C-N 3.3Å; E252-M254 PolarHBondContact O-N 3.12Å; E252-Q255 PolarHBondContact O-N 3.47Å; E252-Q255 VanDerWaalsContact O-N 3.16Å; E252-D256 PolarHBondContact O-N 2.99Å |
| 253 | L | 81.2 | Confident | 76.1 | Confident | 52 Ų | 52 | 89.1 Ų | 89.1 | 27% | 0.272 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.1 | 179.8 | 63.4 | 0 | 0 | 0 | 111 | Q248 P249 D256 V257 | Q248-L253 HydrophobicContact CB-CB 4.3Å; P249-L253 PolarHBondContact O-N 2.88Å; L253-D256 PolarHBondContact O-N 3.46Å; L253-V257 HydrophobicContact CD1-CG2 4.18Å; L253-V257 HydrophobicContact CG-CG2 4.31Å; L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 WeakPolarHBondContact O-CG2 3.45Å; L253-V257 PolarHBondContact O-N 2.88Å |
| 254 | M | 79.3 | Confident | 74.3 | Confident | 108 Ų | 108 | 92.5 Ų | 92.5 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -33.8 | 177.6 | -72.5 | -59.7 | -61.6 | 0 | 0 | 112.4 | A250 A251 E252 V257 C258 | A250-M254 VanDerWaalsContact O-CB 3.25Å; A250-M254 WeakPolarHBondContact O-CB 3.44Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.47Å; A251-M254 PolarHBondContact O-N 2.94Å; E252-M254 VanDerWaalsContact C-N 3.3Å; E252-M254 PolarHBondContact O-N 3.12Å; M254-V257 PolarHBondContact O-N 3.11Å; M254-C258 WeakPolarHBondContact O-CB 3.42Å; M254-C258 PolarHBondContact O-N 2.9Å; M254-C258 PolarHBondContact O-SG 3.3Å |
| 255 | Q | 78.4 | Confident | 72.8 | Confident | 132 Ų | 132 | 93.3 Ų | 93.3 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -44 | 171.6 | -77.5 | 177.6 | 1 | 0 | 0 | 111.8 | A251 E252 V257 C258 T259 | A251-Q255 WeakPolarHBondContact O-CG 3.41Å; A251-Q255 PolarHBondContact O-N 3.4Å; E252-Q255 PolarHBondContact O-N 3.47Å; E252-Q255 VanDerWaalsContact O-N 3.16Å; Q255-V257 VanDerWaalsContact C-N 3.31Å; Q255-V257 PolarHBondContact O-N 3.27Å; Q255-C258 PolarHBondContact O-N 2.82Å; Q255-T259 WeakPolarHBondContact O-CB 3.39Å; Q255-T259 WeakPolarHBondContact O-CG2 3.46Å; Q255-T259 PolarHBondContact O-N 3.33Å; Q255-T259 PolarHBondContact O-OG1 3.32Å |
| 256 | D | 70.8 | Confident | 71.7 | Confident | 64 Ų | 64 | 94.1 Ų | 94.1 | 34% | 0.342 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 176.8 | -82.8 | -8.5 | 0 | 0 | 0 | 112 | Q248 E252 L253 T259 T260 | Q248-D256 PolarHBondContact NE2-OD2 3.36Å; Q248-D256 PolarHBondContact OE1-OD2 2.98Å; E252-D256 PolarHBondContact O-N 2.99Å; L253-D256 PolarHBondContact O-N 3.46Å; D256-T259 PolarHBondContact O-OG1 2.81Å; D256-T260 PolarHBondContact O-OG1 3.04Å |
| 257 | V | 68.5 | Low | 70.4 | Confident | 22 Ų | 22 | 93.8 Ų | 93.8 | 13% | 0.133 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -75.5 | -37.9 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | L253 M254 Q255 T260 T263 F266 | L253-V257 HydrophobicContact CD1-CG2 4.18Å; L253-V257 HydrophobicContact CG-CG2 4.31Å; L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 WeakPolarHBondContact O-CG2 3.45Å; L253-V257 PolarHBondContact O-N 2.88Å; M254-V257 PolarHBondContact O-N 3.11Å; Q255-V257 VanDerWaalsContact C-N 3.31Å; Q255-V257 PolarHBondContact O-N 3.27Å; V257-T260 CarbonylContact O-C 3.57Å; V257-T260 PolarHBondContact O-OG1 3.07Å; V257-T263 HydrophobicContact CG1-CG2 3.78Å; V257-F266 HydrophobicContact CB-CE2 4.32Å; V257-F266 HydrophobicContact CG2-CE2 3.54Å; V257-F266 HydrophobicContact CG2-CZ 4.01Å |
| 258 | C | 64.6 | Low | 69.2 | Low | 84 Ų | 84 | 89.2 Ų | 89.2 | 57% | 0.568 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -80 | -27 | -178 | -73.2 | 0 | 0 | 0 | 0 | 113.6 | M254 Q255 T260 | M254-C258 WeakPolarHBondContact O-CB 3.42Å; M254-C258 PolarHBondContact O-N 2.9Å; M254-C258 PolarHBondContact O-SG 3.3Å; Q255-C258 PolarHBondContact O-N 2.82Å; C258-T260 PolarHBondContact O-N 3.38Å |
| 259 | T | 63.8 | Low | 68.3 | Low | 111 Ų | 111 | 92.9 Ų | 92.9 | 68% | 0.681 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.2 | -26.4 | 171.7 | 45.3 | 0 | 0 | 0 | 0 | 112 | Q255 D256 Q261 | Q255-T259 WeakPolarHBondContact O-CB 3.39Å; Q255-T259 WeakPolarHBondContact O-CG2 3.46Å; Q255-T259 PolarHBondContact O-N 3.33Å; Q255-T259 PolarHBondContact O-OG1 3.32Å; D256-T259 PolarHBondContact O-OG1 2.81Å; T259-Q261 PolarHBondContact O-N 3.46Å |
| 260 | T | 58.9 | Low | 67.2 | Low | 44 Ų | 44 | 91 Ų | 91 | 27% | 0.27 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -85.5 | 101.7 | 162.7 | 56.2 | 0 | 0 | 0 | 0 | 108.8 | D256 V257 C258 D262 | D256-T260 PolarHBondContact O-OG1 3.04Å; V257-T260 CarbonylContact O-C 3.57Å; V257-T260 PolarHBondContact O-OG1 3.07Å; C258-T260 PolarHBondContact O-N 3.38Å; T260-D262 PolarHBondContact O-N 3.2Å |
| 261 | Q | 51.6 | Low | 66.3 | Low | 189 Ų | 189 | 90.8 Ų | 90.8 | 88% | 0.883 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -61.6 | 10.1 | -173.2 | -110.3 | 167.5 | -15.1 | 0 | 0 | 116.8 | T259 | T259-Q261 PolarHBondContact O-N 3.46Š|
| 262 | D | 47.2 | Very low | 65.3 | Low | 94 Ų | 94 | 98.4 Ų | 98.4 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | trans | -138.3 | 113.1 | 171.2 | -84 | -53.5 | 0 | 0 | 0 | 110.4 | T260 K264 D265 | T260-D262 PolarHBondContact O-N 3.2Å; D262-K264 PolarHBondContact O-N 3.42Å; D262-D265 HydrophobicContact CB-CB 4.48Å; D262-D265 WeakPolarHBondContact O-CB 3.41Å; D262-D265 PolarHBondContact O-N 3.11Å | ||
| 263 | T | 52.1 | Low | 64.4 | Low | 115 Ų | 115 | 100 Ų | 100 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -58 | -14.4 | 169.6 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | V257 D265 | V257-T263 HydrophobicContact CG1-CG2 3.78Å; T263-D265 VanDerWaalsContact C-N 3.28Å; T263-D265 PolarHBondContact O-N 2.87Å |
| 264 | K | 54.1 | Low | 63.4 | Low | 173 Ų | 173 | 107.5 Ų | 107.5 | 75% | 0.752 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -76.2 | -6.8 | 172.8 | -71.3 | -179.6 | 178.7 | 173.5 | 0 | 113.9 | D262 | D262-K264 PolarHBondContact O-N 3.42Š|
| 265 | D | 59.9 | Low | 62.4 | Low | 58 Ų | 58 | 108.6 Ų | 108.6 | 31% | 0.31 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -89.4 | -11.7 | -170.6 | -87.7 | -17.5 | 0 | 0 | 0 | 116.9 | D262 T263 A267 N268 K269 | D262-D265 HydrophobicContact CB-CB 4.48Å; D262-D265 WeakPolarHBondContact O-CB 3.41Å; D262-D265 PolarHBondContact O-N 3.11Å; T263-D265 VanDerWaalsContact C-N 3.28Å; T263-D265 PolarHBondContact O-N 2.87Å; D265-A267 PolarHBondContact O-N 3.24Å; D265-N268 CarbonylContact O-C 3.51Å; D265-N268 PolarHBondContact O-N 3.47Å; D265-N268 PolarHBondContact OD1-ND2 2.9Å; D265-K269 WeakPolarHBondContact O-CB 3.31Å; D265-K269 PolarHBondContact O-N 3.22Å |
| 266 | F | 62.5 | Low | 61.6 | Low | 60 Ų | 60 | 106.4 Ų | 106.4 | 26% | 0.263 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 173.9 | -92.3 | -91.9 | 0 | 0 | 0 | 111.5 | L242 K245 V257 N268 Y270 | L242-F266 HydrophobicContact CD2-CD1 4.25Å; K245-F266 HydrophobicContact CD-CE1 3.99Å; V257-F266 HydrophobicContact CB-CE2 4.32Å; V257-F266 HydrophobicContact CG2-CE2 3.54Å; V257-F266 HydrophobicContact CG2-CZ 4.01Å; F266-N268 VanDerWaalsContact C-N 3.33Å; F266-Y270 HydrophobicContact CD1-CE2 4.39Å; F266-Y270 WeakPolarHBondContact O-CD2 3.36Å; F266-Y270 PolarHBondContact O-N 3.42Å; F266-Y270 VanDerWaalsContact O-N 3.1Å |
| 267 | A | 59.9 | Low | 61.3 | Low | 73 Ų | 73 | 110.9 Ų | 110.9 | 60% | 0.603 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.6 | -27.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D265 Y270 P271 | D265-A267 PolarHBondContact O-N 3.24Å; A267-Y270 CarbonylContact O-C 3.31Å; A267-Y270 VanDerWaalsContact O-C 3.31Å; A267-P271 VanDerWaalsContact O-CA 3.26Å; A267-P271 WeakPolarHBondContact O-CA 3.39Å |
| 268 | N | 65.8 | Low | 61.4 | Low | 113 Ų | 113 | 111.1 Ų | 111.1 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -80.5 | -35.7 | 176.3 | -77.7 | -21 | 0 | 0 | 0 | 112.7 | D265 F266 Y270 P271 | D265-N268 CarbonylContact O-C 3.51Å; D265-N268 PolarHBondContact O-N 3.47Å; D265-N268 PolarHBondContact OD1-ND2 2.9Å; F266-N268 VanDerWaalsContact C-N 3.33Å; N268-Y270 VanDerWaalsContact C-N 3.33Å; N268-P271 WeakPolarHBondContact O-CD 3.4Å |
| 269 | K | 67.7 | Low | 62.1 | Low | 132 Ų | 132 | 115.7 Ų | 115.7 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.7 | -33.8 | 176.1 | -167.2 | 167.6 | -175.9 | 165.6 | 0 | 111.4 | D265 P271 | D265-K269 WeakPolarHBondContact O-CB 3.31Å; D265-K269 PolarHBondContact O-N 3.22Å; K269-P271 VanDerWaalsContact C-CD 3.46Å; K269-P271 WeakPolarHBondContact O-CD 3.35Å |
| 270 | Y | 68.9 | Low | 63.1 | Low | 39 Ų | 39 | 113.1 Ų | 113.1 | 15% | 0.153 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -119.8 | 68.9 | 174.2 | -54.2 | -76.1 | 0 | 0 | 0 | 110.5 | V238 E241 L242 K245 F266 A267 N268 R272 | V238-Y270 HydrophobicContact CB-CD1 4.36Å; V238-Y270 HydrophobicContact CG1-CD1 3.43Å; V238-Y270 VanDerWaalsContact CG1-CD1 3.43Å; V238-Y270 HydrophobicContact CG1-CE1 3.98Å; V238-Y270 HydrophobicContact CG1-CG 4.09Å; V238-Y270 HydrophobicContact CG2-CD1 4.13Å; V238-Y270 HydrophobicContact CG2-CE1 4.38Å; E241-Y270 VanDerWaalsContact OE2-CE1 3.31Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.41Å; E241-Y270 PolarHBondContact OE2-OH 2.82Å; L242-Y270 HydrophobicContact CD1-CD2 4.36Å; L242-Y270 HydrophobicContact CD1-CG 4.35Å; L242-Y270 HydrophobicContact CD2-CD2 3.68Å; L242-Y270 HydrophobicContact CD2-CE2 3.51Å; L242-Y270 HydrophobicContact CD2-CG 4.42Å; L242-Y270 HydrophobicContact CG-CD2 4.28Å; L242-Y270 HydrophobicContact CG-CE2 4.21Å; K245-Y270 PolarHBondContact NZ-OH 3.17Å; F266-Y270 HydrophobicContact CD1-CE2 4.39Å; F266-Y270 WeakPolarHBondContact O-CD2 3.36Å; F266-Y270 PolarHBondContact O-N 3.42Å; F266-Y270 VanDerWaalsContact O-N 3.1Å; A267-Y270 CarbonylContact O-C 3.31Å; A267-Y270 VanDerWaalsContact O-C 3.31Å; N268-Y270 VanDerWaalsContact C-N 3.33Å; Y270-R272 PolarHBondContact O-N 3.08Å |
| 271 | P | 67.6 | Low | 64.4 | Low | 73 Ų | 73 | 114.4 Ų | 114.4 | 47% | 0.474 | 56% | 0.562 | S | S | . | * | trans | -60.4 | 131.8 | -176.2 | 25 | -30.5 | 0 | 0 | 0 | 109.3 | A267 N268 K269 K273 | A267-P271 VanDerWaalsContact O-CA 3.26Å; A267-P271 WeakPolarHBondContact O-CA 3.39Å; N268-P271 WeakPolarHBondContact O-CD 3.4Å; K269-P271 VanDerWaalsContact C-CD 3.46Å; K269-P271 WeakPolarHBondContact O-CD 3.35Å; P271-K273 PolarHBondContact O-N 3.35Å | ||
| 272 | R | 66.5 | Low | 65.9 | Low | 232 Ų | 232 | 108.4 Ų | 108.4 | 88% | 0.875 | 54% | 0.539 | S | S | * | . | trans | -61.4 | 84.1 | 160.3 | -91.2 | -176.8 | 167.4 | 170.8 | -2.7 | 107.6 | Y270 K274 | Y270-R272 PolarHBondContact O-N 3.08Å; R272-K274 PolarHBondContact O-N 3.45Å | ||
| 273 | K | 63.6 | Low | 67.9 | Low | 133 Ų | 133 | 110.3 Ų | 110.3 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | trans | -58.8 | 131 | 163.4 | -74.9 | -177.8 | 174.2 | 175.4 | 0 | 105.9 | P271 F275 | P271-K273 PolarHBondContact O-N 3.35Å; K273-F275 VanDerWaalsContact C-N 3.33Å; K273-F275 PolarHBondContact O-N 2.94Å | ||
| 274 | K | 60.3 | Low | 69.6 | Low | 208 Ų | 208 | 108.4 Ų | 108.4 | 90% | 0.904 | 53% | 0.529 | S | S | * | . | trans | -50 | 108.1 | 165.1 | -70.9 | -179.7 | -178.9 | 177.9 | 0 | 105 | R272 W276 | R272-K274 PolarHBondContact O-N 3.45Å; K274-W276 PolarHBondContact O-N 3.46Å | ||
| 275 | F | 57.3 | Low | 71.4 | Confident | 131 Ų | 131 | 100.5 Ų | 100.5 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | trans | -46.8 | 144 | -173 | -64.4 | -89.4 | 0 | 0 | 0 | 108.9 | L235 K273 I277 | L235-F275 HydrophobicContact CD1-CE1 4.37Å; K273-F275 VanDerWaalsContact C-N 3.33Å; K273-F275 PolarHBondContact O-N 2.94Å; F275-I277 VanDerWaalsContact C-N 3.35Å; F275-I277 PolarHBondContact O-N 3.37Å | ||
| 276 | W | 62.2 | Low | 72.8 | Confident | 86 Ų | 86 | 104.5 Ų | 104.5 | 33% | 0.326 | 51% | 0.509 | S | S | . | . | trans | -60.9 | 104.4 | 173.2 | 175.1 | 85.9 | 0 | 0 | 0 | 108.5 | F224 K274 | F224-W276 AromaticContact CD1-CH2 3.93Å; F224-W276 HydrophobicContact CD1-CH2 3.93Å; F224-W276 AromaticContact CD2-CH2 3.15Å; F224-W276 HydrophobicContact CD2-CH2 3.15Å; F224-W276 AromaticContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ2 3.52Å; F224-W276 HydrophobicContact CD2-CZ3 4.25Å; F224-W276 AromaticContact CE1-CH2 3.72Å; F224-W276 HydrophobicContact CE1-CH2 3.72Å; F224-W276 AromaticContact CE1-CZ3 3.96Å; F224-W276 HydrophobicContact CE1-CZ3 3.96Å; F224-W276 AromaticContact CE2-CH2 2.91Å; F224-W276 HydrophobicContact CE2-CH2 2.91Å; F224-W276 AromaticContact CE2-CZ2 3.41Å; F224-W276 HydrophobicContact CE2-CZ2 3.41Å; F224-W276 VanDerWaalsContact CE2-CZ2 3.41Å; F224-W276 AromaticContact CE2-CZ3 3.66Å; F224-W276 HydrophobicContact CE2-CZ3 3.66Å; F224-W276 AromaticContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CH2 3.67Å; F224-W276 HydrophobicContact CG-CZ2 4.35Å; F224-W276 AromaticContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CH2 3.21Å; F224-W276 HydrophobicContact CZ-CZ2 4.14Å; F224-W276 AromaticContact CZ-CZ3 3.49Å; F224-W276 HydrophobicContact CZ-CZ3 3.49Å; F224-W276 VanDerWaalsContact CZ-CZ3 3.49Å; K274-W276 PolarHBondContact O-N 3.46Å | ||
| 277 | I | 64 | Low | 74.3 | Confident | 159 Ų | 159 | 108.1 Ų | 108.1 | 82% | 0.815 | 52% | 0.521 | S | S | * | . | trans | -106.1 | 60.5 | 166.9 | -53.2 | 171.4 | 0 | 0 | 0 | 105.4 | F275 | F275-I277 VanDerWaalsContact C-N 3.35Å; F275-I277 PolarHBondContact O-N 3.37Å | ||
| 278 | G | 71 | Confident | 75.9 | Confident | 27 Ų | 27 | 108.4 Ų | 108.4 | 28% | 0.278 | 51% | 0.509 | S | S | . | . | trans | -69.8 | 143.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F224 | F224-G278 WeakPolarHBondContact CE2-O 3.31Š| ||
| 279 | K | 79.5 | Confident | 77.1 | Confident | 180 Ų | 180 | 105.3 Ų | 105.3 | 78% | 0.783 | 50% | 0.499 | S | S | * | . | trans | -72.9 | 129.1 | 170.1 | -65.3 | -175.5 | 179 | 178.3 | 0 | 109.1 | I281 | K279-I281 VanDerWaalsContact C-N 3.29Å; K279-I281 PolarHBondContact O-N 3.16Å | ||
| 280 | A | 84.4 | Confident | 78.3 | Confident | 57 Ų | 57 | 100.8 Ų | 100.8 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -61.7 | -35.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F224 | F224-A280 HydrophobicContact CD1-CB 4.5Å; F224-A280 VanDerWaalsContact CD2-CA 3.48Å; F224-A280 HydrophobicContact CD2-CB 4.03Å; F224-A280 HydrophobicContact CE1-CB 4.28Å; F224-A280 HydrophobicContact CE2-CB 3.77Å; F224-A280 HydrophobicContact CG-CB 4.39Å; F224-A280 HydrophobicContact CZ-CB 3.92Å |
| 281 | I | 86.2 | Confident | 79.5 | Confident | 71 Ų | 71 | 103 Ų | 103 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -107.6 | 122.1 | 179.3 | -57.8 | 173.6 | 0 | 0 | 0 | 108.5 | L217 K279 H283 V285 K286 | L217-I281 HydrophobicContact CD2-CG1 4.26Å; L217-I281 HydrophobicContact CD2-CG2 3.89Å; K279-I281 VanDerWaalsContact C-N 3.29Å; K279-I281 PolarHBondContact O-N 3.16Å; I281-H283 PolarHBondContact O-N 3.46Å; I281-V285 HydrophobicContact CG2-CB 4.15Å; I281-V285 HydrophobicContact CG2-CG1 4.36Å; I281-K286 HydrophobicContact CG2-CG 4.09Å |
| 282 | P | 84 | Confident | 80.8 | Confident | 63 Ų | 63 | 100.3 Ų | 100.3 | 41% | 0.409 | 48% | 0.482 | S | S | . | . | trans | -56.9 | 137.7 | 172.3 | -24.2 | 33.9 | 0 | 0 | 0 | 111.3 | M284 V285 K286 | P282-M284 PolarHBondContact O-N 3.47Å; P282-M284 VanDerWaalsContact O-N 3.12Å; P282-V285 HydrophobicContact CB-CG2 4.26Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 PolarHBondContact O-N 3Å; P282-K286 PolarHBondContact O-N 3.11Å | ||
| 283 | H | 89.1 | Confident | 82.1 | Confident | 134 Ų | 134 | 92.5 Ų | 92.5 | 62% | 0.62 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -53 | -37.6 | -180 | 176.1 | -96.8 | 0 | 0 | 0 | 112.6 | I281 V285 K286 R287 | I281-H283 PolarHBondContact O-N 3.46Å; H283-V285 VanDerWaalsContact C-N 3.33Å; H283-V285 PolarHBondContact O-N 2.99Å; H283-K286 PolarHBondContact O-N 3.32Å; H283-R287 WeakPolarHBondContact O-CB 3.47Å; H283-R287 PolarHBondContact O-N 2.8Å |
| 284 | M | 88.2 | Confident | 83.5 | Confident | 75 Ų | 75 | 91 Ų | 91 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 177.6 | 179.2 | -89.6 | -73.8 | 0 | 0 | 112.9 | L216 P282 R287 K288 | L216-M284 HydrophobicContact CD1-CE 4.46Å; P282-M284 PolarHBondContact O-N 3.47Å; P282-M284 VanDerWaalsContact O-N 3.12Å; M284-R287 PolarHBondContact O-N 2.81Å; M284-K288 WeakPolarHBondContact O-CG 3.47Å; M284-K288 PolarHBondContact O-N 3.32Å; M284-K288 HydrophobicContact SD-CD 3.71Å; M284-K288 VanDerWaalsContact SD-CE 3.6Å; M284-K288 HydrophobicContact SD-CG 4.3Å |
| 285 | V | 90.5 | Very high | 85.1 | Confident | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.036 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 179.5 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | L213 L216 L217 I281 P282 H283 R287 K288 A289 | L213-V285 HydrophobicContact CD2-CG1 4.42Å; L216-V285 HydrophobicContact CB-CG2 4.39Å; L217-V285 HydrophobicContact CD1-CG1 4.25Å; L217-V285 HydrophobicContact CD2-CB 4.44Å; L217-V285 HydrophobicContact CD2-CG1 3.54Å; L217-V285 HydrophobicContact CG-CG1 3.72Å; I281-V285 HydrophobicContact CG2-CB 4.15Å; I281-V285 HydrophobicContact CG2-CG1 4.36Å; P282-V285 HydrophobicContact CB-CG2 4.26Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 PolarHBondContact O-N 3Å; H283-V285 VanDerWaalsContact C-N 3.33Å; H283-V285 PolarHBondContact O-N 2.99Å; V285-R287 VanDerWaalsContact C-N 3.33Å; V285-R287 PolarHBondContact O-N 3.1Å; V285-K288 PolarHBondContact O-N 2.85Å; V285-A289 WeakPolarHBondContact O-CB 3.48Å; V285-A289 PolarHBondContact O-N 2.81Å |
| 286 | K | 90.7 | Very high | 86.9 | Confident | 143 Ų | 143 | 83.1 Ų | 83.1 | 62% | 0.622 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58.1 | -44.1 | 173.1 | -109.1 | -177 | 176.8 | -174.6 | 0 | 112.2 | I281 P282 H283 A289 G290 | I281-K286 HydrophobicContact CG2-CG 4.09Å; P282-K286 PolarHBondContact O-N 3.11Å; H283-K286 PolarHBondContact O-N 3.32Å; K286-A289 PolarHBondContact O-N 2.9Å; K286-G290 PolarHBondContact O-N 3.24Å; K286-G290 VanDerWaalsContact O-N 3.09Å |
| 287 | R | 93.4 | Very high | 88.5 | Confident | 135 Ų | 135 | 83.9 Ų | 83.9 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 177.4 | -170.9 | -176.5 | 66.3 | -156.3 | -5 | 111.4 | H283 M284 V285 A289 G290 E291 | H283-R287 WeakPolarHBondContact O-CB 3.47Å; H283-R287 PolarHBondContact O-N 2.8Å; M284-R287 PolarHBondContact O-N 2.81Å; V285-R287 VanDerWaalsContact C-N 3.33Å; V285-R287 PolarHBondContact O-N 3.1Å; R287-A289 VanDerWaalsContact C-N 3.31Å; R287-A289 PolarHBondContact O-N 3.07Å; R287-G290 WeakPolarHBondContact O-CA 3.34Å; R287-G290 PolarHBondContact O-N 2.96Å; R287-G290 VanDerWaalsContact O-N 3.08Å; R287-E291 WeakPolarHBondContact CG-OE1 3.36Å; R287-E291 IonicContact NE-OE1 2.9Å; R287-E291 PolarHBondContact NE-OE1 3.44Å; R287-E291 WeakPolarHBondContact O-CG 3.48Å; R287-E291 PolarHBondContact O-N 3.27Å |
| 288 | K | 93.2 | Very high | 90 | Very high | 79 Ų | 79 | 80.1 Ų | 80.1 | 34% | 0.343 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 176.8 | -75.3 | -172.6 | 177.7 | -178.1 | 0 | 112.4 | L213 M284 V285 G290 E291 F292 | L213-K288 HydrophobicContact CD1-CB 4.2Å; L213-K288 HydrophobicContact CD2-CB 3.77Å; L213-K288 HydrophobicContact CD2-CD 3.71Å; L213-K288 HydrophobicContact CD2-CG 4.41Å; M284-K288 WeakPolarHBondContact O-CG 3.47Å; M284-K288 PolarHBondContact O-N 3.32Å; M284-K288 HydrophobicContact SD-CD 3.71Å; M284-K288 VanDerWaalsContact SD-CE 3.6Å; M284-K288 HydrophobicContact SD-CG 4.3Å; V285-K288 PolarHBondContact O-N 2.85Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.17Å; K288-E291 PolarHBondContact O-N 3.5Å; K288-F292 WeakPolarHBondContact O-CD2 3.44Å; K288-F292 PolarHBondContact O-N 2.74Å |
| 289 | A | 91.4 | Very high | 91.1 | Very high | 49 Ų | 49 | 82.2 Ų | 82.2 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V285 K286 R287 F292 S293 | V285-A289 WeakPolarHBondContact O-CB 3.48Å; V285-A289 PolarHBondContact O-N 2.81Å; K286-A289 PolarHBondContact O-N 2.9Å; R287-A289 VanDerWaalsContact C-N 3.31Å; R287-A289 PolarHBondContact O-N 3.07Å; A289-F292 WeakPolarHBondContact O-CB 3.29Å; A289-F292 PolarHBondContact O-N 2.81Å; A289-S293 PolarHBondContact O-N 2.95Å; A289-S293 PolarHBondContact O-OG 2.72Å |
| 290 | G | 92.5 | Very high | 91.9 | Very high | 36 Ų | 36 | 78 Ų | 78 | 37% | 0.371 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | K286 R287 K288 F292 S293 D294 | K286-G290 PolarHBondContact O-N 3.24Å; K286-G290 VanDerWaalsContact O-N 3.09Å; R287-G290 WeakPolarHBondContact O-CA 3.34Å; R287-G290 PolarHBondContact O-N 2.96Å; R287-G290 VanDerWaalsContact O-N 3.08Å; K288-G290 VanDerWaalsContact C-N 3.3Å; K288-G290 PolarHBondContact O-N 3.17Å; G290-F292 PolarHBondContact O-N 3.26Å; G290-S293 WeakPolarHBondContact O-CB 3.38Å; G290-S293 PolarHBondContact O-N 3.49Å; G290-D294 PolarHBondContact O-N 3.28Å |
| 291 | E | 93.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 83.1 Ų | 83.1 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.3 | -32.4 | 175.4 | -66.8 | 165.1 | -161.7 | 0 | 0 | 111.8 | R287 K288 D294 K295 | R287-E291 WeakPolarHBondContact CG-OE1 3.36Å; R287-E291 IonicContact NE-OE1 2.9Å; R287-E291 PolarHBondContact NE-OE1 3.44Å; R287-E291 WeakPolarHBondContact O-CG 3.48Å; R287-E291 PolarHBondContact O-N 3.27Å; K288-E291 PolarHBondContact O-N 3.5Å; E291-D294 PolarHBondContact O-N 2.96Å; E291-K295 WeakPolarHBondContact O-CG 3.26Å; E291-K295 PolarHBondContact O-N 3.36Å; E291-K295 VanDerWaalsContact O-N 3.08Å |
| 292 | F | 94.4 | Very high | 93 | Very high | 16 Ų | 16 | 81.4 Ų | 81.4 | 7% | 0.07 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 174.8 | -103.2 | -79.4 | 0 | 0 | 0 | 113.1 | L206 Q209 L210 L213 K288 A289 G290 D294 K295 L296 | L206-F292 HydrophobicContact CD2-CE1 4.28Å; Q209-F292 HydrophobicContact CB-CE1 4.27Å; Q209-F292 HydrophobicContact CB-CE2 4.05Å; Q209-F292 HydrophobicContact CB-CZ 3.35Å; Q209-F292 HydrophobicContact CG-CZ 4.25Å; L210-F292 HydrophobicContact CD2-CD1 3.69Å; L210-F292 HydrophobicContact CD2-CD2 4.46Å; L210-F292 HydrophobicContact CD2-CE1 3.96Å; L210-F292 HydrophobicContact CD2-CG 3.98Å; L210-F292 HydrophobicContact CD2-CZ 4.47Å; L210-F292 HydrophobicContact CG-CD1 4.15Å; L210-F292 HydrophobicContact CG-CE1 3.97Å; L213-F292 HydrophobicContact CD1-CD2 3.46Å; L213-F292 VanDerWaalsContact CD1-CD2 3.46Å; L213-F292 HydrophobicContact CD1-CE2 3.6Å; L213-F292 HydrophobicContact CD1-CG 4.41Å; K288-F292 WeakPolarHBondContact O-CD2 3.44Å; K288-F292 PolarHBondContact O-N 2.74Å; A289-F292 WeakPolarHBondContact O-CB 3.29Å; A289-F292 PolarHBondContact O-N 2.81Å; G290-F292 PolarHBondContact O-N 3.26Å; F292-D294 VanDerWaalsContact C-N 3.27Å; F292-D294 PolarHBondContact O-N 2.82Å; F292-K295 HydrophobicContact CD1-CD 4.41Å; F292-K295 HydrophobicContact CE1-CD 4.34Å; F292-K295 WeakPolarHBondContact O-CB 3.37Å; F292-K295 PolarHBondContact O-N 2.79Å; F292-L296 WeakPolarHBondContact O-CG 3.37Å; F292-L296 PolarHBondContact O-N 2.98Å |
| 293 | S | 93.7 | Very high | 93.5 | Very high | 68 Ų | 68 | 81.4 Ų | 81.4 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 174 | -61 | 0 | 0 | 0 | 0 | 111.6 | A289 G290 L296 L297 | A289-S293 PolarHBondContact O-N 2.95Å; A289-S293 PolarHBondContact O-OG 2.72Å; G290-S293 WeakPolarHBondContact O-CB 3.38Å; G290-S293 PolarHBondContact O-N 3.49Å; S293-L296 PolarHBondContact O-N 3.1Å; S293-L297 PolarHBondContact O-N 2.85Å; S293-L297 VanDerWaalsContact O-N 3.12Å |
| 294 | D | 94.5 | Very high | 93.8 | Very high | 101 Ų | 101 | 82.7 Ų | 82.7 | 54% | 0.54 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 177.4 | -64.1 | -30 | 0 | 0 | 0 | 112.2 | G290 E291 F292 L296 L297 S298 | G290-D294 PolarHBondContact O-N 3.28Å; E291-D294 PolarHBondContact O-N 2.96Å; F292-D294 VanDerWaalsContact C-N 3.27Å; F292-D294 PolarHBondContact O-N 2.82Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 PolarHBondContact O-N 3.48Å; D294-L297 PolarHBondContact O-N 3.26Å; D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 2.98Å; D294-S298 PolarHBondContact O-OG 3.41Å |
| 295 | K | 94.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 85.2 Ų | 85.2 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 172.8 | -74.7 | 175.9 | 178.9 | 176.9 | 0 | 111.9 | Q209 E291 F292 S298 L299 | Q209-K295 VanDerWaalsContact OE1-NZ 3.09Å; E291-K295 WeakPolarHBondContact O-CG 3.26Å; E291-K295 PolarHBondContact O-N 3.36Å; E291-K295 VanDerWaalsContact O-N 3.08Å; F292-K295 HydrophobicContact CD1-CD 4.41Å; F292-K295 HydrophobicContact CE1-CD 4.34Å; F292-K295 WeakPolarHBondContact O-CB 3.37Å; F292-K295 PolarHBondContact O-N 2.79Å; K295-S298 PolarHBondContact O-N 3.32Å; K295-L299 WeakPolarHBondContact O-CB 3.36Å; K295-L299 PolarHBondContact O-N 2.79Å |
| 296 | L | 94.8 | Very high | 94.4 | Very high | 92 Ų | 92 | 90.3 Ų | 90.3 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 179.7 | -68.2 | 176.9 | 0 | 0 | 0 | 111.8 | F292 S293 D294 S298 L299 Q300 | F292-L296 WeakPolarHBondContact O-CG 3.37Å; F292-L296 PolarHBondContact O-N 2.98Å; S293-L296 PolarHBondContact O-N 3.1Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 PolarHBondContact O-N 3.48Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.43Å; L296-L299 PolarHBondContact O-N 3.07Å; L296-Q300 PolarHBondContact O-N 3.49Å |
| 297 | L | 94.8 | Very high | 94.5 | Very high | 102 Ų | 102 | 89.4 Ų | 89.4 | 53% | 0.534 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62 | -41 | 173.9 | -67.7 | 174.3 | 0 | 0 | 0 | 111.7 | S293 D294 R301 | S293-L297 PolarHBondContact O-N 2.85Å; S293-L297 VanDerWaalsContact O-N 3.12Å; D294-L297 PolarHBondContact O-N 3.26Å; L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 2.94Å |
| 298 | S | 95.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 84.1 Ų | 84.1 | 56% | 0.559 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | D294 K295 L296 R301 G302 | D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 2.98Å; D294-S298 PolarHBondContact O-OG 3.41Å; K295-S298 PolarHBondContact O-N 3.32Å; L296-S298 VanDerWaalsContact C-N 3.31Å; L296-S298 PolarHBondContact O-N 3.43Å; S298-R301 PolarHBondContact O-N 3.44Å; S298-G302 PolarHBondContact O-N 3.42Å |
| 299 | L | 95.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 86.3 Ų | 86.3 | 37% | 0.366 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 175.3 | 175.5 | 65.5 | 0 | 0 | 0 | 111.1 | L206 K295 L296 R301 G302 L303 | L206-L299 HydrophobicContact CD1-CD2 3.91Å; K295-L299 WeakPolarHBondContact O-CB 3.36Å; K295-L299 PolarHBondContact O-N 2.79Å; L296-L299 PolarHBondContact O-N 3.07Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.49Å; L299-G302 PolarHBondContact O-N 2.94Å; L299-L303 HydrophobicContact CD1-CD1 3.89Å; L299-L303 HydrophobicContact CD1-CG 4.05Å; L299-L303 HydrophobicContact CG-CD1 4.09Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.32Å |
| 300 | Q | 95.9 | Very high | 94.6 | Very high | 92 Ų | 92 | 86.8 Ų | 86.8 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 179.7 | -175.7 | -177.5 | 5 | 0 | 0 | 111.5 | L296 R304 | L296-Q300 PolarHBondContact O-N 3.49Å; Q300-R304 WeakPolarHBondContact O-CG 3.22Å; Q300-R304 PolarHBondContact O-N 3.17Å; Q300-R304 VanDerWaalsContact O-N 3.16Å |
| 301 | R | 97.1 | Very high | 94.5 | Very high | 165 Ų | 165 | 89 Ų | 89 | 62% | 0.623 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.2 | -47.3 | 176.7 | -172.5 | -174.2 | -56.6 | -167.5 | 1.9 | 111.4 | L297 S298 L299 R304 Q305 | L297-R301 WeakPolarHBondContact O-CB 3.41Å; L297-R301 PolarHBondContact O-N 2.94Å; S298-R301 PolarHBondContact O-N 3.44Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.49Å; R301-R304 PolarHBondContact O-N 2.77Å; R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 2.82Å |
| 302 | G | 95.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 91.5 Ų | 91.5 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | S298 L299 Q305 F306 | S298-G302 PolarHBondContact O-N 3.42Å; L299-G302 PolarHBondContact O-N 2.94Å; G302-Q305 PolarHBondContact O-N 2.74Å; G302-F306 WeakPolarHBondContact O-CB 3.45Å; G302-F306 PolarHBondContact O-N 3.17Å |
| 303 | L | 95.6 | Very high | 94.2 | Very high | 64 Ų | 64 | 95.3 Ų | 95.3 | 34% | 0.335 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 177.7 | -71.9 | 177 | 0 | 0 | 0 | 112.4 | L199 L299 Q305 F306 Q307 | L199-L303 HydrophobicContact CD2-CD2 4.14Å; L299-L303 HydrophobicContact CD1-CD1 3.89Å; L299-L303 HydrophobicContact CD1-CG 4.05Å; L299-L303 HydrophobicContact CG-CD1 4.09Å; L299-L303 WeakPolarHBondContact O-CB 3.36Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.32Å; L303-Q305 PolarHBondContact O-N 3.49Å; L303-F306 PolarHBondContact O-N 3.45Å; L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.37Å; L303-Q307 PolarHBondContact O-N 2.98Å |
| 304 | R | 95.8 | Very high | 94 | Very high | 161 Ų | 161 | 97.3 Ų | 97.3 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 175.8 | -75.2 | 176.8 | 178.4 | -179.4 | -2.5 | 112.2 | Q300 R301 G308 | Q300-R304 WeakPolarHBondContact O-CG 3.22Å; Q300-R304 PolarHBondContact O-N 3.17Å; Q300-R304 VanDerWaalsContact O-N 3.16Å; R301-R304 PolarHBondContact O-N 2.77Å; R304-G308 PolarHBondContact O-N 2.92Å |
| 305 | Q | 96.2 | Very high | 93.5 | Very high | 128 Ų | 128 | 97.9 Ų | 97.9 | 60% | 0.598 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 177.7 | -73.9 | 176.7 | -12.7 | 0 | 0 | 111.7 | R301 G302 L303 G308 K309 | R301-Q305 WeakPolarHBondContact O-CG 3.42Å; R301-Q305 PolarHBondContact O-N 2.82Å; G302-Q305 PolarHBondContact O-N 2.74Å; L303-Q305 PolarHBondContact O-N 3.49Å; Q305-G308 PolarHBondContact O-N 2.82Å; Q305-K309 WeakPolarHBondContact O-CB 3.36Å; Q305-K309 PolarHBondContact O-N 3.15Å |
| 306 | F | 94.5 | Very high | 92.3 | Very high | 113 Ų | 113 | 102.4 Ų | 102.4 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -51.5 | 175.6 | 172 | -103.2 | 0 | 0 | 0 | 111.5 | G302 L303 G308 K309 L310 | G302-F306 WeakPolarHBondContact O-CB 3.45Å; G302-F306 PolarHBondContact O-N 3.17Å; L303-F306 PolarHBondContact O-N 3.45Å; F306-G308 PolarHBondContact O-N 3.19Å; F306-K309 PolarHBondContact O-N 3.01Å; F306-L310 HydrophobicContact CE1-CD2 4.18Å; F306-L310 HydrophobicContact CZ-CD2 4.03Å; F306-L310 WeakPolarHBondContact O-CB 3.34Å; F306-L310 PolarHBondContact O-N 3.33Å |
| 307 | Q | 93.5 | Very high | 90.6 | Very high | 124 Ų | 124 | 107 Ų | 107 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.1 | -48.5 | 177.5 | -74 | 171.8 | -11.9 | 0 | 0 | 111.7 | L303 K309 L310 L311 | L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.37Å; L303-Q307 PolarHBondContact O-N 2.98Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.39Å; Q307-L310 PolarHBondContact O-N 2.79Å; Q307-L311 WeakPolarHBondContact O-CB 3.42Å; Q307-L311 PolarHBondContact O-N 3.45Å |
| 308 | G | 92.9 | Very high | 88.8 | Confident | 24 Ų | 24 | 107.4 Ų | 107.4 | 25% | 0.247 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R304 Q305 F306 R312 | R304-G308 PolarHBondContact O-N 2.92Å; Q305-G308 PolarHBondContact O-N 2.82Å; F306-G308 PolarHBondContact O-N 3.19Å; G308-R312 WeakPolarHBondContact O-CG 3.31Å; G308-R312 VanDerWaalsContact O-CZ 3.32Å; G308-R312 PolarHBondContact O-N 2.88Å; G308-R312 PolarHBondContact O-NH1 3.41Å; G308-R312 VanDerWaalsContact O-NH1 3.17Å |
| 309 | K | 93.8 | Very high | 86.7 | Confident | 125 Ų | 125 | 110.7 Ų | 110.7 | 54% | 0.543 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -48 | 174.2 | -177.4 | -178.8 | 175.8 | -173.1 | 0 | 111.2 | Q305 F306 Q307 L311 R312 D313 | Q305-K309 WeakPolarHBondContact O-CB 3.36Å; Q305-K309 PolarHBondContact O-N 3.15Å; F306-K309 PolarHBondContact O-N 3.01Å; Q307-K309 VanDerWaalsContact C-N 3.33Å; Q307-K309 PolarHBondContact O-N 3.39Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.39Å; K309-R312 PolarHBondContact O-N 2.89Å; K309-D313 WeakPolarHBondContact CE-OD2 3.49Å; K309-D313 WeakPolarHBondContact CG-OD2 3.37Å; K309-D313 VanDerWaalsContact O-CG 3.31Å; K309-D313 PolarHBondContact O-N 3.15Å |
| 310 | L | 91.9 | Very high | 84.5 | Confident | 58 Ų | 58 | 117.1 Ų | 117.1 | 30% | 0.304 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.1 | -43.4 | -178.4 | -171.5 | 65.2 | 0 | 0 | 0 | 111.5 | F306 Q307 R312 D313 L314 | F306-L310 HydrophobicContact CE1-CD2 4.18Å; F306-L310 HydrophobicContact CZ-CD2 4.03Å; F306-L310 WeakPolarHBondContact O-CB 3.34Å; F306-L310 PolarHBondContact O-N 3.33Å; Q307-L310 PolarHBondContact O-N 2.79Å; L310-R312 PolarHBondContact O-N 3.49Å; L310-D313 PolarHBondContact O-N 3.44Å; L310-L314 HydrophobicContact CD1-CD1 3.85Å; L310-L314 HydrophobicContact CD1-CG 4.16Å; L310-L314 HydrophobicContact CD2-CD1 4.48Å; L310-L314 HydrophobicContact CG-CD1 3.79Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 WeakPolarHBondContact O-CB 3.12Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.05Å; L310-L314 PolarHBondContact O-N 3.29Å |
| 311 | L | 90.9 | Very high | 82.2 | Confident | 83 Ų | 83 | 121.8 Ų | 121.8 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.1 | -45.7 | 175.8 | -164.7 | 75.7 | 0 | 0 | 0 | 111.5 | Q307 K309 D313 L314 E315 | Q307-L311 WeakPolarHBondContact O-CB 3.42Å; Q307-L311 PolarHBondContact O-N 3.45Å; K309-L311 VanDerWaalsContact C-N 3.33Å; K309-L311 PolarHBondContact O-N 3.39Å; L311-D313 PolarHBondContact O-N 3.49Å; L311-L314 PolarHBondContact O-N 3.4Å; L311-E315 HydrophobicContact CD1-CG 4.18Å; L311-E315 WeakPolarHBondContact CD1-OE1 3.37Å; L311-E315 VanDerWaalsContact CD1-OE2 3.24Å; L311-E315 WeakPolarHBondContact CD1-OE2 3.44Å; L311-E315 WeakPolarHBondContact CG-OE2 3.37Å; L311-E315 WeakPolarHBondContact O-CB 3.39Å; L311-E315 PolarHBondContact O-N 3.16Å |
| 312 | R | 90.4 | Very high | 80.3 | Confident | 138 Ų | 138 | 116.9 Ų | 116.9 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.2 | -46.6 | 175.8 | -76.8 | -169.7 | -55.8 | -88.6 | 0.8 | 112.6 | G308 K309 L310 L314 Y316 | G308-R312 WeakPolarHBondContact O-CG 3.31Å; G308-R312 VanDerWaalsContact O-CZ 3.32Å; G308-R312 PolarHBondContact O-N 2.88Å; G308-R312 PolarHBondContact O-NH1 3.41Å; G308-R312 VanDerWaalsContact O-NH1 3.17Å; K309-R312 PolarHBondContact O-N 2.89Å; L310-R312 PolarHBondContact O-N 3.49Å; R312-L314 VanDerWaalsContact C-N 3.33Å; R312-L314 PolarHBondContact O-N 2.98Å; R312-Y316 HydrophobicContact CB-CD2 4.36Å; R312-Y316 HydrophobicContact CG-CD2 4.15Å; R312-Y316 HydrophobicContact CG-CE2 4.21Å; R312-Y316 WeakPolarHBondContact O-CB 3.44Å; R312-Y316 PolarHBondContact O-N 2.89Å |
| 313 | D | 90.4 | Very high | 78.4 | Confident | 96 Ų | 96 | 121.5 Ų | 121.5 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.2 | -30.6 | -175.5 | -67.3 | -17.1 | 0 | 0 | 0 | 112.1 | K309 L310 L311 | K309-D313 WeakPolarHBondContact CE-OD2 3.49Å; K309-D313 WeakPolarHBondContact CG-OD2 3.37Å; K309-D313 VanDerWaalsContact O-CG 3.31Å; K309-D313 PolarHBondContact O-N 3.15Å; L310-D313 PolarHBondContact O-N 3.44Å; L311-D313 PolarHBondContact O-N 3.49Å |
| 314 | L | 89.6 | Confident | 76.6 | Confident | 110 Ų | 110 | 121.3 Ų | 121.3 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -90.9 | -32.6 | -177.8 | -64.5 | 179.8 | 0 | 0 | 0 | 114.5 | L310 L311 R312 | L310-L314 HydrophobicContact CD1-CD1 3.85Å; L310-L314 HydrophobicContact CD1-CG 4.16Å; L310-L314 HydrophobicContact CD2-CD1 4.48Å; L310-L314 HydrophobicContact CG-CD1 3.79Å; L310-L314 HydrophobicContact CG-CG 4.37Å; L310-L314 WeakPolarHBondContact O-CB 3.12Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.05Å; L310-L314 PolarHBondContact O-N 3.29Å; L311-L314 PolarHBondContact O-N 3.4Å; R312-L314 VanDerWaalsContact C-N 3.33Å; R312-L314 PolarHBondContact O-N 2.98Å |
| 315 | E | 83.8 | Confident | 74.4 | Confident | 113 Ų | 113 | 123.5 Ų | 123.5 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -108 | -30.3 | -171 | -61.7 | -177 | 174 | 0 | 0 | 114.1 | L311 K317 T318 | L311-E315 HydrophobicContact CD1-CG 4.18Å; L311-E315 WeakPolarHBondContact CD1-OE1 3.37Å; L311-E315 VanDerWaalsContact CD1-OE2 3.24Å; L311-E315 WeakPolarHBondContact CD1-OE2 3.44Å; L311-E315 WeakPolarHBondContact CG-OE2 3.37Å; L311-E315 WeakPolarHBondContact O-CB 3.39Å; L311-E315 PolarHBondContact O-N 3.16Å; E315-K317 VanDerWaalsContact C-N 3.33Å; E315-K317 PolarHBondContact O-N 3.35Å; E315-T318 PolarHBondContact O-OG1 3.16Å |
| 316 | Y | 70.8 | Confident | 72.3 | Confident | 179 Ų | 179 | 125.1 Ų | 125.1 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 1.5 | -170.7 | -77.6 | -98.9 | 0 | 0 | 0 | 115 | R312 | R312-Y316 HydrophobicContact CB-CD2 4.36Å; R312-Y316 HydrophobicContact CG-CD2 4.15Å; R312-Y316 HydrophobicContact CG-CE2 4.21Å; R312-Y316 WeakPolarHBondContact O-CB 3.44Å; R312-Y316 PolarHBondContact O-N 2.89Å |
| 317 | K | 58.2 | Low | 71.2 | Confident | 189 Ų | 189 | 125.7 Ų | 125.7 | 82% | 0.822 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 11.2 | 176.4 | -79.6 | -169.9 | 176.5 | -178.4 | 0 | 114.5 | E315 D319 | E315-K317 VanDerWaalsContact C-N 3.33Å; E315-K317 PolarHBondContact O-N 3.35Å; K317-D319 PolarHBondContact O-N 2.92Å |
| 318 | T | 56.4 | Low | 70 | Confident | 109 Ų | 109 | 125.8 Ų | 125.8 | 67% | 0.669 | 63% | 0.634 | S | S | * | * | trans | -88.3 | 88.6 | 173.2 | 54.9 | 0 | 0 | 0 | 0 | 109.6 | E315 F320 | E315-T318 PolarHBondContact O-OG1 3.16Å; T318-F320 PolarHBondContact O-N 3.49Å | ||
| 319 | D | 52.2 | Low | 68.7 | Low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 66% | 0.656 | S | S | * | * | trans | -53.4 | 130.4 | 154.2 | -80.1 | -38.4 | 0 | 0 | 0 | 108.2 | K317 F321 | K317-D319 PolarHBondContact O-N 2.92Å; D319-F321 PolarHBondContact O-N 3.38Å | ||
| 320 | F | 49.5 | Very low | 67.3 | Low | 205 Ų | 205 | 131.8 Ų | 131.8 | 90% | 0.899 | 66% | 0.663 | S | S | * | * | trans | -43.8 | 104 | 179.1 | -70.1 | -98.2 | 0 | 0 | 0 | 111.8 | T318 C322 | T318-F320 PolarHBondContact O-N 3.49Å; F320-C322 PolarHBondContact O-N 2.94Å | ||
| 321 | F | 47.7 | Very low | 65.7 | Low | 191 Ų | 191 | 136.4 Ų | 136.4 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | trans | -79.1 | 95.9 | 154.1 | -104.6 | -94.9 | 0 | 0 | 0 | 106.8 | D319 P323 | D319-F321 PolarHBondContact O-N 3.38Å; F321-P323 VanDerWaalsContact O-CD 3.26Å; F321-P323 WeakPolarHBondContact O-CD 3.4Å | ||
| 322 | C | 56.4 | Low | 64 | Low | 62 Ų | 62 | 140 Ų | 140 | 42% | 0.419 | 70% | 0.702 | S | S | . | * | trans | -68.4 | 122.9 | 152.4 | -164.2 | 0 | 0 | 0 | 0 | 106.3 | F320 C324 | F320-C322 PolarHBondContact O-N 2.94Å; C322-C324 HydrophobicContact CB-CB 4.41Å; C322-C324 VanDerWaalsContact CB-O 3.3Å; C322-C324 WeakPolarHBondContact CB-O 3.25Å; C322-C324 WeakPolarHBondContact CB-SG 3.41Å; C322-C324 PolarHBondContact O-N 3.14Å; C322-C324 VanDerWaalsContact O-N 3.16Å; C322-C324 WeakPolarHBondContact SG-CB 3.11Å; C322-C324 PolarHBondContact SG-N 3.18Å; C322-C324 CovalentContact SG-SG 2.07Å; C322-C324 PolarHBondContact SG-SG 3.03Å | ||
| 323 | P | 56.4 | Low | 62.2 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 84% | 0.844 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -63.1 | -14.8 | 168.9 | 25.1 | -32.5 | 0 | 0 | 0 | 112 | F321 | F321-P323 VanDerWaalsContact O-CD 3.26Å; F321-P323 WeakPolarHBondContact O-CD 3.4Å |
| 324 | C | 57.1 | Low | 60 | Low | 60 Ų | 60 | 143.5 Ų | 143.5 | 41% | 0.405 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -85.2 | 101.5 | 164.6 | 70.1 | 0 | 0 | 0 | 0 | 109.4 | C322 C326 | C322-C324 HydrophobicContact CB-CB 4.41Å; C322-C324 VanDerWaalsContact CB-O 3.3Å; C322-C324 WeakPolarHBondContact CB-O 3.25Å; C322-C324 WeakPolarHBondContact CB-SG 3.41Å; C322-C324 PolarHBondContact O-N 3.14Å; C322-C324 VanDerWaalsContact O-N 3.16Å; C322-C324 WeakPolarHBondContact SG-CB 3.11Å; C322-C324 PolarHBondContact SG-N 3.18Å; C322-C324 CovalentContact SG-SG 2.07Å; C322-C324 PolarHBondContact SG-SG 3.03Å; C324-C326 VanDerWaalsContact CB-SG 3.55Å; C324-C326 PolarHBondContact O-N 2.98Å; C324-C326 PolarHBondContact SG-SG 3.02Å |
| 325 | K | 49.8 | Very low | 57.5 | Low | 208 Ų | 208 | 146.3 Ų | 146.3 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | -72.2 | 52.6 | 168.7 | -72.7 | -177.2 | 170.5 | -179.7 | 0 | 111.2 | ||||
| 326 | C | 52 | Low | 55.1 | Low | 161 Ų | 161 | 149.4 Ų | 149.4 | 100% | 1.088 | 76% | 0.762 | S | S | * | * | trans | -109.5 | 0 | 169.4 | 59.2 | 0 | 0 | 0 | 0 | 109.3 | C324 | C324-C326 VanDerWaalsContact CB-SG 3.55Å; C324-C326 PolarHBondContact O-N 2.98Å; C324-C326 PolarHBondContact SG-SG 3.02Å |
Retrieved 326 of 326 residues in 433.5 ms
(Link to these results)